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11
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47
320
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11
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year
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contain_id
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328 values
contain_count
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110 values
contain_pepnum
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87 values
contain_perme
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215 values
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3 values
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16 values
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913c542dbb29c5e94c8edfda63a10c21a968e39872c55a1fafcd126bd67657ab
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,122
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'Bn_Gly', 'P', 'dL', 'F']
47
4123
-6.46
-6.46
Circle
6
-1.77e-16
-2.690424458
-1.01e-16
-2.855956439
4.18e-17
-1.134690049
2.48e-15
-0.249287762
2.536549646
4475.324525
116.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.839218151
3.839218151
null
null
null
null
308.1588979
26.16766313
33.56176029
0
0
0
0
0
0
0.0
57.57185936
799.4632473
0.74137931
1.327586207
1.965517241
0.568181818
114.0
PEPTIDE4123{[dP].[Me_dA].[dL].[Bn_Gly].P.[dL].F}$PEPTIDE4123,PEPTIDE4123,1:R1-7:R2$$$
PEPTIDE4123{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4123,PEPTIDE4123,1:R1-7:R2$$$
-5.27
58
738.526
4123
null
null
8.439999999999999e+37
10.18048434
19.93008749
11.01358637
427.8460979
null
16.65500838
0.342505615
16.65500838
0.245675664
1.770507708
0.245675664
-6.859244818
-0.342505615
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_546
-6.46
4.283547204
0.884004868
35.52907898
42.60421449
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
27.41517112
null
-6.46
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(Cc2ccccc2)C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'Bn_Gly', 'P', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4123
null
168.54
5.03
540.6311932
0.0
104.8751169
-7.635883863
-5.352869605
-42.20457835
-60.51478586
-41.49466658
-57.38685921
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
29fa62da6c450baa44219cc487ca823e23e8ca950b9980b5749db1f3f36d1712
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,123
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'dL', 'P', 'Bn_Gly', 'F']
47
4124
-5.98
-5.98
Circle
9
-1.86e-16
-2.704304615
-1.08e-16
-2.863034194
9.01e-17
-1.135355245
2.15e-15
-0.249287767
2.543713464
4475.324525
122.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.867169
3.867169
null
null
null
null
308.1588979
28.90918025
33.56176029
0
0
0
0
0
0
0.0
54.83034225
799.4632473
0.74137931
1.293103448
1.879310345
0.568181818
138.0
PEPTIDE4124{[dP].[Me_dA].[dL].[dL].P.[Bn_Gly].F}$PEPTIDE4124,PEPTIDE4124,1:R1-7:R2$$$
PEPTIDE4124{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4124,PEPTIDE4124,1:R1-7:R2$$$
-5.27
58
738.526
4124
null
null
7.86e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.64769552
0.342513904
16.64769552
0.245675462
1.73644348
0.245675462
-6.944071508
-0.342513904
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_547
-5.98
4.168443784
1.004235163
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
33.91203081
null
-5.98
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4124
null
168.54
14.55
540.5005027
0.0
104.9568193
-7.717586243
-5.214768552
-42.32806083
-60.21899597
-41.67244523
-57.38879849
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
1b1c694642708b050a6fa035bb737705fc3d67445acb4cf51fa4da8202331781
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,125
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'Me_dL', 'P', 'L', 'F']
46
4126
-6.08
-6.08
Circle
2
-2.44e-16
-2.727990743
-2.05e-16
-2.85791785
-6.49e-17
-1.13601255
7.36e-16
-0.249287767
3.124301462
4410.008052
104.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.245614035
1.842105263
0.697674419
106.0
PEPTIDE4126{[dP].[Me_dA].[meL].[Me_dL].P.L.F}$PEPTIDE4126,PEPTIDE4126,1:R1-7:R2$$$
PEPTIDE4126{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4126,PEPTIDE4126,1:R1-7:R2$$$
-4.49
57
726.515
4126
null
null
1.95e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.95604453
0.342504271
16.95604453
0.245675664
1.834616302
0.245675664
-7.402252542
-0.342504271
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_549
-6.08
3.077096353
-0.391610441
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-6.08
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'Me_dL', 'P', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4126
null
159.75
11.8
593.7477844
0.0
102.9273382
-5.323599567
-2.76597576
-51.07455907
-59.48623847
-49.96515748
-70.89292557
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
bb6a0a55d7dbb747fe3aedd9ee40c45648ca5367a633aef284b02a4dc0221a6c
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,126
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'meL', 'P', 'meL', 'F']
45
4127
-5.14
-5.14
Circle
2
-2.77e-16
-2.720325117
-2.34e-16
-2.853165073
-6.45e-17
-1.135757901
6.16e-16
-0.249287767
3.129615441
4410.008052
112.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.701754386
1.228070175
1.807017544
0.697674419
110.0
PEPTIDE4127{[dP].[Me_dA].[dL].[meL].P.[meL].F}$PEPTIDE4127,PEPTIDE4127,1:R1-7:R2$$$
PEPTIDE4127{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4127,PEPTIDE4127,1:R1-7:R2$$$
-4.49
57
726.515
4127
null
null
5.96e+40
9.28286508
19.77991863
10.92394938
433.1954521
null
16.9218945
0.342505861
16.9218945
0.245675665
1.850673178
0.245675665
-7.354972368
-0.342505861
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_550
-5.14
3.145274896
-0.357719607
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.14
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'meL', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4127
null
159.75
65.76
593.7943839
0.0
103.0909313
-5.487192684
-2.797708869
-51.07012667
-59.59170631
-50.15167034
-70.62024359
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
2bf548d2fba46213c799af0147ed59856a2d40fb51ada8b4f8a0a66fa3825f8d
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,127
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'Me_dL', 'P', 'meL', 'F']
46
4128
-5.26
-5.26
Circle
4
-2.49e-16
-2.720325117
-1.93e-16
-2.853165073
-4.04e-17
-1.135757901
8.84e-16
-0.249287767
3.129615441
4410.008052
101.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.701754386
1.228070175
1.807017544
0.697674419
100.0
PEPTIDE4128{[dP].[Me_dA].L.[Me_dL].P.[meL].F}$PEPTIDE4128,PEPTIDE4128,1:R1-7:R2$$$
PEPTIDE4128{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4128,PEPTIDE4128,1:R1-7:R2$$$
-4.49
57
726.515
4128
null
null
2.1899999999999997e+40
9.28286508
19.77991863
10.92394938
433.1954521
null
16.9218945
0.342505861
16.9218945
0.245675665
1.850673178
0.245675665
-7.354972368
-0.342505861
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_551
-5.26
3.145274896
-0.357719607
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.26
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'Me_dL', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4128
null
159.75
56.11
593.7943839
0.0
103.0909313
-5.487192684
-2.797708869
-51.07012667
-59.59170631
-50.15167034
-70.62024359
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
d7fe6d7faf3e1b2d2f69903586d5176c947748c8d99abb4e8bad47f887f70b45
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,128
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'L', 'P', 'meL', 'F']
46
4129
-5.17
-5.17
Circle
6
-2.83e-16
-2.716574651
-1.86e-16
-2.854861895
-9.99e-17
-1.135676657
9.12e-16
-0.249287767
3.125736617
4410.008052
116.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
114.0
PEPTIDE4129{[dP].[Me_dA].[Me_dL].L.P.[meL].F}$PEPTIDE4129,PEPTIDE4129,1:R1-7:R2$$$
PEPTIDE4129{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4129,PEPTIDE4129,1:R1-7:R2$$$
-4.49
57
726.515
4129
null
null
1.67e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_552
-5.17
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.17
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'L', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4129
null
159.75
63.76
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
977058ec2f0a05a329358843cbe9bb0c1cc34cf44622612d865970849c793e65
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,129
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'Bn_Gly', 'P', 'L', 'F']
46
4130
-6.7
-6.7
Circle
6
-1.77e-16
-2.690424458
-1.01e-16
-2.855956439
4.18e-17
-1.134690049
2.48e-15
-0.249287762
2.536549646
4475.324525
145.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.839218151
3.839218151
null
null
null
null
308.1588979
26.16766313
33.56176029
0
0
0
0
0
0
0.0
57.57185936
799.4632473
0.74137931
1.327586207
1.965517241
0.568181818
144.0
PEPTIDE4130{[dP].[Me_dA].[dL].[Bn_Gly].P.L.F}$PEPTIDE4130,PEPTIDE4130,1:R1-7:R2$$$
PEPTIDE4130{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4130,PEPTIDE4130,1:R1-7:R2$$$
-5.27
58
738.526
4130
null
null
8.439999999999999e+37
10.18048434
19.93008749
11.01358637
427.8460979
null
16.65500838
0.342505615
16.65500838
0.245675664
1.770507708
0.245675664
-6.859244818
-0.342505615
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_553
-6.7
4.283547204
0.884004868
35.52907898
42.60421449
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
27.41517112
null
-6.7
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(Cc2ccccc2)C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'Bn_Gly', 'P', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4130
null
168.54
2.95
540.6311932
0.0
104.8751169
-7.635883863
-5.352869605
-42.20457835
-60.51478586
-41.49466658
-57.38685921
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
eb9ff4fccbd5daf1bec62124a59ea508b3b9c62e984ddfec80ebf9b4b1e8fba9
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,130
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'dL', 'P', 'Bn_Gly', 'F']
46
4131
-5.67
-5.67
Circle
3
-1.86e-16
-2.704304615
-1.08e-16
-2.863034194
9.01e-17
-1.135355245
2.15e-15
-0.249287767
2.543713464
4475.324525
129.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.867169
3.867169
null
null
null
null
308.1588979
28.90918025
33.56176029
0
0
0
0
0
0
0.0
54.83034225
799.4632473
0.74137931
1.293103448
1.879310345
0.568181818
127.0
PEPTIDE4131{[dP].[Me_dA].L.[dL].P.[Bn_Gly].F}$PEPTIDE4131,PEPTIDE4131,1:R1-7:R2$$$
PEPTIDE4131{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4131,PEPTIDE4131,1:R1-7:R2$$$
-5.27
58
738.526
4131
null
null
7.86e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.64769552
0.342513904
16.64769552
0.245675462
1.73644348
0.245675462
-6.944071508
-0.342513904
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_554
-5.67
4.168443784
1.004235163
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
33.91203081
null
-5.67
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4131
null
168.54
27.2
540.5005027
0.0
104.9568193
-7.717586243
-5.214768552
-42.32806083
-60.21899597
-41.67244523
-57.38879849
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
c5aacbe17f405f37856369fca472cd3b74a2be715b24af96cdc4164d54f00bb3
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,131
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'Bn_Gly', 'P', 'dL', 'F']
46
4132
-5.61
-5.61
Circle
3
-1.3e-16
-2.690424458
-8.1e-17
-2.855956439
5.6e-17
-1.134690049
2.7e-15
-0.249287762
2.536549646
4475.324525
119.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.839218151
3.839218151
null
null
null
null
308.1588979
26.16766313
33.56176029
0
0
0
0
0
0
0.0
57.57185936
799.4632473
0.74137931
1.327586207
1.965517241
0.568181818
114.0
PEPTIDE4132{[dP].[Me_dA].L.[Bn_Gly].P.[dL].F}$PEPTIDE4132,PEPTIDE4132,1:R1-7:R2$$$
PEPTIDE4132{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4132,PEPTIDE4132,1:R1-7:R2$$$
-5.27
58
738.526
4132
null
null
4.19e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.65500838
0.342505615
16.65500838
0.245675664
1.770507708
0.245675664
-6.859244818
-0.342505615
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_555
-5.61
4.283547204
0.884004868
35.52907898
42.60421449
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
27.41517112
null
-5.61
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN(Cc2ccccc2)C1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'Bn_Gly', 'P', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4132
null
168.54
30.95
540.6311932
0.0
104.8751169
-7.635883863
-5.352869605
-42.20457835
-60.51478586
-41.49466658
-57.38685921
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
129763c2fb9b912474bd6f36f5eb28a22e6bdbce21501055787f2c1a04a95293
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,132
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'L', 'P', 'meL', 'F']
44
4133
-5.34
-5.34
Circle
5
-2.83e-16
-2.716574651
-1.86e-16
-2.854861895
-9.99e-17
-1.135676657
9.12e-16
-0.249287767
3.125736617
4410.008052
98.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
95.0
PEPTIDE4133{[dP].[Me_dA].[meL].L.P.[meL].F}$PEPTIDE4133,PEPTIDE4133,1:R1-7:R2$$$
PEPTIDE4133{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4133,PEPTIDE4133,1:R1-7:R2$$$
-4.49
57
726.515
4133
null
null
1.67e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_556
-5.34
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.34
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'L', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4133
null
159.75
49.24
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
46f8e5600e3d3e34fcbee780fa4ece3e90c514b35bfcd533a7baa639dd5ca222
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,133
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'meL', 'P', 'meL', 'F']
44
4134
-5.21
-5.21
Circle
5
-2.49e-16
-2.720325117
-1.93e-16
-2.853165073
-4.04e-17
-1.135757901
8.84e-16
-0.249287767
3.129615441
4410.008052
98.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.701754386
1.228070175
1.807017544
0.697674419
99.0
PEPTIDE4134{[dP].[Me_dA].L.[meL].P.[meL].F}$PEPTIDE4134,PEPTIDE4134,1:R1-7:R2$$$
PEPTIDE4134{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4134,PEPTIDE4134,1:R1-7:R2$$$
-4.49
57
726.515
4134
null
null
2.1899999999999997e+40
9.28286508
19.77991863
10.92394938
433.1954521
null
16.9218945
0.342505861
16.9218945
0.245675665
1.850673178
0.245675665
-7.354972368
-0.342505861
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_557
-5.21
3.145274896
-0.357719607
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.21
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'meL', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4134
null
159.75
60.51
593.7943839
0.0
103.0909313
-5.487192684
-2.797708869
-51.07012667
-59.59170631
-50.15167034
-70.62024359
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
05198c2ea07539fba1bc4bae00746069e41e3109eb9ec750f1cf4e7ff0957d0f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,134
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Bn_Gly', 'L', 'P', 'L', 'F']
45
4135
-5.98
-5.98
Circle
1
-1.81e-16
-2.6899625
-9.35e-17
-2.858649004
3.07e-17
-1.134655903
1.98e-15
-0.249287762
2.537078664
4475.324525
130.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.867169
3.867169
null
null
null
null
308.1588979
26.16766313
33.56176029
0
0
0
0
0
0
0.0
57.57185936
799.4632473
0.74137931
1.310344828
1.931034483
0.568181818
139.0
PEPTIDE4135{[dP].[Me_dA].[Bn_Gly].L.P.L.F}$PEPTIDE4135,PEPTIDE4135,1:R1-7:R2$$$
PEPTIDE4135{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4135,PEPTIDE4135,1:R1-7:R2$$$
-5.27
58
738.526
4135
null
null
4.22e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.59466958
0.342747537
16.59466958
0.245675664
1.749911147
0.245675664
-6.787468991
-0.342747537
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_558
-5.98
4.349235149
0.998483616
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
33.91203081
null
-5.98
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Bn_Gly', 'L', 'P', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4135
null
168.54
14.44
540.504521
0.0
104.8926382
-7.653405192
-5.306725478
-42.18297002
-60.43761447
-41.632444
-57.26733346
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
60838440103a977bcee92132a2cd354253c05444912f95616bc5a9e0469ae2bf
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,135
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'L', 'P', 'Bn_Gly', 'F']
45
4136
-5.41
-5.41
Circle
3
-1.86e-16
-2.704304615
-1.08e-16
-2.863034194
9.01e-17
-1.135355245
2.15e-15
-0.249287767
2.543713464
4475.324525
128.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.867169
3.867169
null
null
null
null
308.1588979
28.90918025
33.56176029
0
0
0
0
0
0
0.0
54.83034225
799.4632473
0.74137931
1.293103448
1.879310345
0.568181818
125.0
PEPTIDE4136{[dP].[Me_dA].L.L.P.[Bn_Gly].F}$PEPTIDE4136,PEPTIDE4136,1:R1-7:R2$$$
PEPTIDE4136{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4136,PEPTIDE4136,1:R1-7:R2$$$
-5.27
58
738.526
4136
null
null
7.86e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.64769552
0.342513904
16.64769552
0.245675462
1.73644348
0.245675462
-6.944071508
-0.342513904
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_559
-5.41
4.168443784
1.004235163
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
33.91203081
null
-5.41
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'L', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4136
null
168.54
44.49
540.5005027
0.0
104.9568193
-7.717586243
-5.214768552
-42.32806083
-60.21899597
-41.67244523
-57.38879849
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
2bb547cfa723ff30e9730983ca2101567f5c9e96e6ecadfd62502b1134d3fae2
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,136
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'Bn_Gly', 'P', 'L', 'F']
45
4137
-5.94
-5.94
Circle
6
-1.77e-16
-2.690424458
-1.01e-16
-2.855956439
4.18e-17
-1.134690049
2.48e-15
-0.249287762
2.536549646
4475.324525
114.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.839218151
3.839218151
null
null
null
null
308.1588979
26.16766313
33.56176029
0
0
0
0
0
0
0.0
57.57185936
799.4632473
0.74137931
1.327586207
1.965517241
0.568181818
128.0
PEPTIDE4137{[dP].[Me_dA].L.[Bn_Gly].P.L.F}$PEPTIDE4137,PEPTIDE4137,1:R1-7:R2$$$
PEPTIDE4137{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4137,PEPTIDE4137,1:R1-7:R2$$$
-5.27
58
738.526
4137
null
null
8.439999999999999e+37
10.18048434
19.93008749
11.01358637
427.8460979
null
16.65500838
0.342505615
16.65500838
0.245675664
1.770507708
0.245675664
-6.859244818
-0.342505615
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_560
-5.94
4.283547204
0.884004868
35.52907898
42.60421449
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
27.41517112
null
-5.94
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(Cc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'Bn_Gly', 'P', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4137
null
168.54
15.78
540.6311932
0.0
104.8751169
-7.635883863
-5.352869605
-42.20457835
-60.51478586
-41.49466658
-57.38685921
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
8e13c531d5ec78fcc820c866c3e5bbc2ff93670d1f6915b26b0e516c9da83e6f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,137
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'Me_dL', 'P', 'Me_dL', 'F']
52
4138
-6.21
-6.21
Circle
1
-2.52e-16
-2.728611251
-2.43e-16
-2.848007412
-1.01e-16
-1.136012854
3.48e-16
-0.249287767
3.194145574
4518.643012
78.0
null
null
103.0470054
96.9882332
27.9882332
54.40106466
48.84821857
14.40100497
10.04918691
10.04918691
6.362386751
6.362386751
3.934680614
3.934680614
null
null
null
null
311.4858662
27.45625465
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.689655172
1.172413793
1.706896552
0.704545455
78.0
PEPTIDE4138{[dP].[Me_dA].[Me_dL].[Me_dL].P.[Me_dL].F}$PEPTIDE4138,PEPTIDE4138,1:R1-7:R2$$$
PEPTIDE4138{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4138,PEPTIDE4138,1:R1-7:R2$$$
-4.49
58
738.526
4138
null
null
2.87e+42
9.366176303
19.97782252
10.56862906
442.5222501
null
17.05456233
0.342180206
17.05456233
0.245675665
1.873069011
0.245675665
-7.480397538
-0.342180206
3.1757
221.8177
808.078
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
19
0
3
3
322
hepta_561
-6.21
2.967921041
-0.217752521
34.70927174
42.12524728
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
124.032431
16.44910267
null
-6.21
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N1C
128.1851842
41.35025811
0.0
34.70927174
17.68187306
141.0718913
40.89702697
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'Me_dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
153.7719907
39.93468519
17.68187306
191.3487524
30.21209354
1.411842078
0.0
0
2020_Townsend
4138
null
150.96
8.89
614.2081859
0.0
101.1836246
-2.703900398
-2.8308388
-52.0293601
-60.61135228
-50.80633711
-77.99335518
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
4
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.424272131
null
65426bc751dcd9c7e5cb8fc38537ada4a6b25a33989d6c9f82f54507fd9cdc9c
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,138
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'meL', 'P', 'Me_dL', 'F']
50
4139
-5.43
-5.43
Circle
8
-2.53e-16
-2.728611251
-2.29e-16
-2.848007412
-9.06e-17
-1.136012854
6.66e-16
-0.249287767
3.194145574
4518.643012
89.0
null
null
103.0470054
96.9882332
27.9882332
54.40106466
48.84821857
14.40100497
10.04918691
10.04918691
6.362386751
6.362386751
3.934680614
3.934680614
null
null
null
null
311.4858662
27.45625465
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.689655172
1.172413793
1.706896552
0.704545455
89.0
PEPTIDE4139{[dP].[Me_dA].[Me_dL].[meL].P.[Me_dL].F}$PEPTIDE4139,PEPTIDE4139,1:R1-7:R2$$$
PEPTIDE4139{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4139,PEPTIDE4139,1:R1-7:R2$$$
-4.49
58
738.526
4139
null
null
2.39e+42
9.366176303
19.97782252
10.56862906
442.5222501
null
17.05456233
0.342180206
17.05456233
0.245675665
1.873069011
0.245675665
-7.480397538
-0.342180206
3.1757
221.8177
808.078
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
19
0
3
3
322
hepta_562
-5.43
2.967921041
-0.217752521
34.70927174
42.12524728
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
124.032431
16.44910267
null
-5.43
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C
128.1851842
41.35025811
0.0
34.70927174
17.68187306
141.0718913
40.89702697
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'meL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
153.7719907
39.93468519
17.68187306
191.3487524
30.21209354
1.411842078
0.0
0
2020_Townsend
4139
null
150.96
42.29
614.2081859
0.0
101.1836246
-2.703900398
-2.8308388
-52.0293601
-60.61135228
-50.80633711
-77.99335518
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
4
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.424272131
null
f8ab36ebe8fc3364d1fa8f616dc9a0cffcbc456d47aebfd82717e9650eb43cd0
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,139
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'Me_dL', 'P', 'Me_dL', 'F']
50
4140
-5.44
-5.44
Circle
4
-2.56e-16
-2.728611251
-1.92e-16
-2.848007412
-1.05e-16
-1.136012854
7.12e-16
-0.249287767
3.194145574
4518.643012
102.0
null
null
103.0470054
96.9882332
27.9882332
54.40106466
48.84821857
14.40100497
10.04918691
10.04918691
6.362386751
6.362386751
3.934680614
3.934680614
null
null
null
null
311.4858662
27.45625465
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.689655172
1.172413793
1.706896552
0.704545455
108.0
PEPTIDE4140{[dP].[Me_dA].[meL].[Me_dL].P.[Me_dL].F}$PEPTIDE4140,PEPTIDE4140,1:R1-7:R2$$$
PEPTIDE4140{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4140,PEPTIDE4140,1:R1-7:R2$$$
-4.49
58
738.526
4140
null
null
2.91e+42
9.366176303
19.97782252
10.56862906
442.5222501
null
17.05456233
0.342180206
17.05456233
0.245675665
1.873069011
0.245675665
-7.480397538
-0.342180206
3.1757
221.8177
808.078
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
19
0
3
3
322
hepta_563
-5.44
2.967921041
-0.217752521
34.70927174
42.12524728
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
124.032431
16.44910267
null
-5.44
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N1C
128.1851842
41.35025811
0.0
34.70927174
17.68187306
141.0718913
40.89702697
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'Me_dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
153.7719907
39.93468519
17.68187306
191.3487524
30.21209354
1.411842078
0.0
0
2020_Townsend
4140
null
150.96
42.18
614.2081859
0.0
101.1836246
-2.703900398
-2.8308388
-52.0293601
-60.61135228
-50.80633711
-77.99335518
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
4
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.424272131
null
7091b593135b17c25605481579904422e9591e94920c847d2e7b0c1144fe6a81
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,140
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'bHph', 'P', 'dL', 'F']
45
4141
-6.55
-6.55
Circle
2
-1.81e-16
-2.695474594
-6.31e-17
-2.86859636
1.8e-17
-1.134687049
2.43e-15
-0.249287762
2.533503079
4593.757587
110.0
null
null
98.011107
91.4882332
28.4882332
52.94251654
46.26903896
14.98018458
10.12836652
10.12836652
6.245098969
6.245098969
3.870211046
3.870211046
null
null
null
null
314.3388244
28.95026377
33.56176029
0
0
0
0
0
0
0.0
57.57185936
813.4788974
0.711864407
1.254237288
1.847457627
0.577777778
107.0
PEPTIDE4141{[dP].[Me_dA].[dL].[bHph].P.[dL].F}$PEPTIDE4141,PEPTIDE4141,1:R1-7:R2$$$
PEPTIDE4141{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4141,PEPTIDE4141,1:R1-7:R2$$$
-5.27
59
750.537
4141
null
null
2.3999999999999998e+39
10.24948353
20.61658265
11.91281718
436.8690661
null
16.56547364
0.350730365
16.56547364
0.245675664
1.784890333
0.245675664
-6.789276857
-0.350730365
2.7358
223.2438
814.041
Circle
7
7
null
4
14
null
null
0
3
3
2
0
2
7
4
14
0
14
0
3
3
320
hepta_564
-6.55
3.644397346
0.83232513
35.93898261
36.10735481
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
74.37718478
96.3051479
23.30289545
null
-6.55
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
120.0838834
41.35025811
0.0
35.93898261
11.78791537
133.741032
19.96954627
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'bHph', 'P', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.4060999999999997, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 29.1, 29.1]
21.23925341
0.0
0.0
0.0
118.1447808
46.30761009
11.78791537
170.8715927
60.42418708
5.647368313
0.0
0
2020_Townsend
4141
null
177.33
4.14
559.5947409
0.0
106.8936535
-10.20946275
-5.395688371
-42.28351349
-67.30421173
-54.04490989
-45.08394147
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
3
4
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.316968996
null
46f92283f37f9b25680a1b20c7c7852c951cbc7a6d4e37fa6d3786aaedd2a628
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,141
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'Bn_Gly', 'P', 'dL', 'F']
50
4142
-6.22
-6.22
Circle
6
-1.54e-16
-2.707545291
-1.7e-16
-2.855770806
7.04e-18
-1.134995374
2.34e-15
-0.249287762
2.592948797
4584.247812
112.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.967941623
3.967941623
null
null
null
null
314.7248211
24.75582106
33.56176029
0
0
0
0
0
0
0.0
61.68413503
813.4788974
0.745762712
1.355932203
2.0
0.577777778
114.0
PEPTIDE4142{[dP].[Me_dA].[Me_dL].[Bn_Gly].P.[dL].F}$PEPTIDE4142,PEPTIDE4142,1:R1-7:R2$$$
PEPTIDE4142{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4142,PEPTIDE4142,1:R1-7:R2$$$
-5.27
59
750.537
4142
null
null
2.6899999999999998e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.97167505
0.342504272
16.97167505
0.245675664
1.792903542
0.245675664
-7.145703151
-0.342504272
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_565
-6.22
4.046252125
0.958272512
35.11917536
42.60421449
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
27.41517112
null
-6.22
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(Cc2ccccc2)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'Bn_Gly', 'P', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4142
null
159.75
8.54
560.8600663
0.0
103.2023686
-5.087149873
-5.465718924
-43.08351665
-61.69128477
-42.05008271
-64.5180153
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
dcd19c18e352b8068b82936a7d00c5c8823e21b129171875439468e5486abd0d
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,142
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'Bn_Gly', 'P', 'Me_dL', 'F']
50
4143
-5.9
-5.9
Circle
5
-2.42e-16
-2.70049204
-1.25e-16
-2.847513682
9.11e-17
-1.134994817
2.45e-15
-0.249287762
2.594896442
4584.247812
115.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.967941623
3.967941623
null
null
null
null
314.7248211
24.75582106
33.56176029
0
0
0
0
0
0
0.0
61.68413503
813.4788974
0.745762712
1.322033898
1.949152542
0.577777778
114.0
PEPTIDE4143{[dP].[Me_dA].[dL].[Bn_Gly].P.[Me_dL].F}$PEPTIDE4143,PEPTIDE4143,1:R1-7:R2$$$
PEPTIDE4143{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4143,PEPTIDE4143,1:R1-7:R2$$$
-5.27
59
750.537
4143
null
null
1.2899999999999999e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.74209516
0.342505615
16.74209516
0.245675665
1.808960417
0.245675665
-7.032168051
-0.342505615
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_566
-5.9
4.210992399
0.981716191
35.11917536
42.60421449
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
27.41517112
null
-5.9
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)CN(Cc2ccccc2)C1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'Bn_Gly', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3173, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4143
null
159.75
17.0
560.8101853
0.0
103.3450775
-5.229858843
-5.462877273
-43.09317568
-61.71264536
-42.25555106
-64.23448795
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
172ddb6eacf97c700113a203ad9a40b0e5108fff0ac7fcec35efbf7a4f093934
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,143
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'Me_dL', 'P', 'Bn_Gly', 'F']
50
4144
-5.18
-5.18
Circle
1
-2.19e-16
-2.718718702
-6.23e-17
-2.852834077
4.18e-17
-1.135755959
2.16e-15
-0.249287767
2.601408493
4584.247812
104.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.995892473
3.995892473
null
null
null
null
314.7248211
30.23885528
33.56176029
0
0
0
0
0
0
0.0
56.2011008
813.4788974
0.745762712
1.338983051
1.949152542
0.577777778
108.0
PEPTIDE4144{[dP].[Me_dA].[dL].[Me_dL].P.[Bn_Gly].F}$PEPTIDE4144,PEPTIDE4144,1:R1-7:R2$$$
PEPTIDE4144{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4144,PEPTIDE4144,1:R1-7:R2$$$
-5.27
59
750.537
4144
null
null
4.59e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.93021795
0.342505861
16.93021795
0.245675462
1.754331899
0.245675462
-7.230529842
-0.342505861
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_567
-5.18
4.051441918
1.131152099
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
33.91203081
null
-5.18
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'Me_dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4144
null
159.75
62.82
560.8784285
0.0
103.2392123
-5.12399364
-5.285224972
-43.30155695
-61.3163404
-42.37193976
-64.55191844
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
dc04d748b4513771285fac9b4582ca29b56b5499ea799f310472489fd244cfee
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,144
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'dL', 'P', 'Bn_Gly', 'F']
50
4145
-5.16
-5.16
Circle
2
-1.81e-16
-2.715597743
-1.16e-16
-2.852684226
5.38e-17
-1.135665765
2.29e-15
-0.249287767
2.598535165
4584.247812
126.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.995892473
3.995892473
null
null
null
null
314.7248211
27.49733817
33.56176029
0
0
0
0
0
0
0.0
58.94261792
813.4788974
0.745762712
1.322033898
1.915254237
0.577777778
124.0
PEPTIDE4145{[dP].[Me_dA].[Me_dL].[dL].P.[Bn_Gly].F}$PEPTIDE4145,PEPTIDE4145,1:R1-7:R2$$$
PEPTIDE4145{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4145,PEPTIDE4145,1:R1-7:R2$$$
-5.27
59
750.537
4145
null
null
2.91e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.7462191
0.342496078
16.7462191
0.245675462
1.758839313
0.245675462
-7.168632199
-0.342496078
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_568
-5.16
4.120442253
1.105729543
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
33.91203081
null
-5.16
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4145
null
159.75
64.84
560.631853
0.0
103.3051672
-5.189948543
-5.276729542
-43.25642692
-61.31348445
-42.29190339
-64.44186071
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
b9695fec5a23e670d56a321d6c7892862322fdade28609aeeb99b89b300b7e7e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,145
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'Me_dL', 'P', 'meL', 'F']
48
4146
-5.18
-5.18
Circle
6
-2.52e-16
-2.728611251
-2.43e-16
-2.848007412
-1.01e-16
-1.136012854
3.48e-16
-0.249287767
3.194145574
4518.643012
103.0
null
null
103.0470054
96.9882332
27.9882332
54.40106466
48.84821857
14.40100497
10.04918691
10.04918691
6.362386751
6.362386751
3.934680614
3.934680614
null
null
null
null
311.4858662
27.45625465
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.689655172
1.172413793
1.706896552
0.704545455
102.0
PEPTIDE4146{[dP].[Me_dA].[meL].[Me_dL].P.[meL].F}$PEPTIDE4146,PEPTIDE4146,1:R1-7:R2$$$
PEPTIDE4146{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4146,PEPTIDE4146,1:R1-7:R2$$$
-4.49
58
738.526
4146
null
null
2.87e+42
9.366176303
19.97782252
10.56862906
442.5222501
null
17.05456233
0.342180206
17.05456233
0.245675665
1.873069011
0.245675665
-7.480397538
-0.342180206
3.1757
221.8177
808.078
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
19
0
3
3
322
hepta_569
-5.18
2.967921041
-0.217752521
34.70927174
42.12524728
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
124.032431
16.44910267
null
-5.18
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N1C
128.1851842
41.35025811
0.0
34.70927174
17.68187306
141.0718913
40.89702697
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'Me_dL', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
153.7719907
39.93468519
17.68187306
191.3487524
30.21209354
1.411842078
0.0
0
2020_Townsend
4146
null
150.96
62.85
614.2081859
0.0
101.1836246
-2.703900398
-2.8308388
-52.0293601
-60.61135228
-50.80633711
-77.99335518
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
4
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.424272131
null
b9283352fed9f223411420c247bb96da15be5d4ea7176c036896541aed598a88
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,146
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'meL', 'P', 'Me_dL', 'F']
48
4147
-5.17
-5.17
Circle
8
-2.53e-16
-2.728611251
-2.29e-16
-2.848007412
-9.06e-17
-1.136012854
6.66e-16
-0.249287767
3.194145574
4518.643012
104.0
null
null
103.0470054
96.9882332
27.9882332
54.40106466
48.84821857
14.40100497
10.04918691
10.04918691
6.362386751
6.362386751
3.934680614
3.934680614
null
null
null
null
311.4858662
27.45625465
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.689655172
1.172413793
1.706896552
0.704545455
105.0
PEPTIDE4147{[dP].[Me_dA].[meL].[meL].P.[Me_dL].F}$PEPTIDE4147,PEPTIDE4147,1:R1-7:R2$$$
PEPTIDE4147{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4147,PEPTIDE4147,1:R1-7:R2$$$
-4.49
58
738.526
4147
null
null
2.39e+42
9.366176303
19.97782252
10.56862906
442.5222501
null
17.05456233
0.342180206
17.05456233
0.245675665
1.873069011
0.245675665
-7.480397538
-0.342180206
3.1757
221.8177
808.078
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
19
0
3
3
322
hepta_570
-5.17
2.967921041
-0.217752521
34.70927174
42.12524728
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
124.032431
16.44910267
null
-5.17
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C
128.1851842
41.35025811
0.0
34.70927174
17.68187306
141.0718913
40.89702697
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'meL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
153.7719907
39.93468519
17.68187306
191.3487524
30.21209354
1.411842078
0.0
0
2020_Townsend
4147
null
150.96
63.67
614.2081859
0.0
101.1836246
-2.703900398
-2.8308388
-52.0293601
-60.61135228
-50.80633711
-77.99335518
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
4
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.424272131
null
2b02167aafd9afdf4769411e158ba4d0fcfd06bd08b52470ce7f545358c4dda7
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,148
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'Bn_Gly', 'P', 'dL', 'F']
48
4149
-10.0
-10
Circle
3
-2.1e-16
-2.707545291
-1.09e-16
-2.855770806
9.05e-18
-1.134995374
1.71e-15
-0.249287762
2.592948797
4584.247812
124.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.967941623
3.967941623
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
314.7248211
24.75582106
33.56176029
0
0
0
0
0
0
0.0
61.68413503
813.4788974
0.745762712
1.355932203
2.0
0.577777778
124.0
PEPTIDE4149{[dP].[Me_dA].[meL].[Bn_Gly].P.[dL].F}$PEPTIDE4149,PEPTIDE4149,1:R1-7:R2$$$
PEPTIDE4149{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4149,PEPTIDE4149,1:R1-7:R2$$$
-5.27
59
750.537
4149
null
null
8.27e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.97167505
0.342504272
16.97167505
0.245675664
1.792903542
0.245675664
-7.145703151
-0.342504272
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_572
-10.0
4.046252125
0.958272512
35.11917536
42.60421449
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
27.41517112
null
-10.0
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N1C
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'Bn_Gly', 'P', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4149
null
159.75
0.0
560.8600663
0.0
103.2023686
-5.087149873
-5.465718924
-43.08351665
-61.69128477
-42.05008271
-64.5180153
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
54e9d6cf26c0a20eebeedd205297c981b3971f93797a68e8f5b5dae4b44621ae
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,149
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'meL', 'P', 'Bn_Gly', 'F']
48
4150
-5.57
-5.57
Circle
4
-2.05e-16
-2.718718702
-1.49e-16
-2.852834077
9.05e-17
-1.135755959
1.95e-15
-0.249287767
2.601408493
4584.247812
85.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.995892473
3.995892473
null
null
null
null
314.7248211
30.23885528
33.56176029
0
0
0
0
0
0
0.0
56.2011008
813.4788974
0.745762712
1.338983051
1.949152542
0.577777778
86.0
PEPTIDE4150{[dP].[Me_dA].[dL].[meL].P.[Bn_Gly].F}$PEPTIDE4150,PEPTIDE4150,1:R1-7:R2$$$
PEPTIDE4150{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4150,PEPTIDE4150,1:R1-7:R2$$$
-5.27
59
750.537
4150
null
null
6.39e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.93021795
0.342505861
16.93021795
0.245675462
1.754331899
0.245675462
-7.230529842
-0.342505861
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_573
-5.57
4.051441918
1.131152099
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
33.91203081
null
-5.57
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N1C
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'meL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4150
null
159.75
33.1
560.8784285
0.0
103.2392123
-5.12399364
-5.285224972
-43.30155695
-61.3163404
-42.37193976
-64.55191844
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
2984b624d85effbe08c0e725f9356cfa5a09a660f44b8be20fb5593744a9105d
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,150
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Bn_Gly', 'L', 'P', 'Me_dL', 'F']
49
4151
-5.17
-5.17
Circle
7
-2.35e-16
-2.703149193
-1.19e-16
-2.848708369
-3.37e-17
-1.134960512
1.72e-15
-0.249287762
2.595108979
4584.247812
110.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.995892473
3.995892473
null
null
null
null
314.7248211
24.75582106
33.56176029
0
0
0
0
0
0
0.0
61.68413503
813.4788974
0.745762712
1.305084746
1.881355932
0.577777778
107.0
PEPTIDE4151{[dP].[Me_dA].[Bn_Gly].L.P.[Me_dL].F}$PEPTIDE4151,PEPTIDE4151,1:R1-7:R2$$$
PEPTIDE4151{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4151,PEPTIDE4151,1:R1-7:R2$$$
-5.27
59
750.537
4151
null
null
8.27e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.72733741
0.342747537
16.72733741
0.245675665
1.769864786
0.245675665
-7.073927324
-0.342747537
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_574
-5.17
4.221568949
1.10642026
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
33.91203081
null
-5.17
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Bn_Gly', 'L', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4151
null
159.75
63.69
560.7260265
0.0
103.3397515
-5.22453282
-5.400419577
-43.09724467
-61.62262196
-42.42649036
-64.12780191
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
a7311d6498c517ae749fb5557a5c8ebbacd6d56c659a1bab92c29805044b2261
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,151
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'Me_dL', 'P', 'Bn_Gly', 'F']
49
4152
-5.37
-5.37
Circle
2
-2.19e-16
-2.718718702
-6.23e-17
-2.852834077
4.18e-17
-1.135755959
2.16e-15
-0.249287767
2.601408493
4584.247812
105.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.995892473
3.995892473
null
null
null
null
314.7248211
30.23885528
33.56176029
0
0
0
0
0
0
0.0
56.2011008
813.4788974
0.745762712
1.338983051
1.949152542
0.577777778
106.0
PEPTIDE4152{[dP].[Me_dA].L.[Me_dL].P.[Bn_Gly].F}$PEPTIDE4152,PEPTIDE4152,1:R1-7:R2$$$
PEPTIDE4152{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4152,PEPTIDE4152,1:R1-7:R2$$$
-5.27
59
750.537
4152
null
null
4.59e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.93021795
0.342505861
16.93021795
0.245675462
1.754331899
0.245675462
-7.230529842
-0.342505861
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_575
-5.37
4.051441918
1.131152099
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
33.91203081
null
-5.37
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'Me_dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4152
null
159.75
47.31
560.8784285
0.0
103.2392123
-5.12399364
-5.285224972
-43.30155695
-61.3163404
-42.37193976
-64.55191844
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
8d0a9f1f8515a6c12ce06b49e420bfc34225f905def4bfe3a62df6f784f817cc
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,152
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'L', 'P', 'Bn_Gly', 'F']
49
4153
-10.0
-10
Circle
1
-1.81e-16
-2.715597743
-1.16e-16
-2.852684226
5.38e-17
-1.135665765
2.29e-15
-0.249287767
2.598535165
4584.247812
113.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.995892473
3.995892473
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
314.7248211
27.49733817
33.56176029
0
0
0
0
0
0
0.0
58.94261792
813.4788974
0.745762712
1.322033898
1.915254237
0.577777778
112.0
PEPTIDE4153{[dP].[Me_dA].[Me_dL].L.P.[Bn_Gly].F}$PEPTIDE4153,PEPTIDE4153,1:R1-7:R2$$$
PEPTIDE4153{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4153,PEPTIDE4153,1:R1-7:R2$$$
-5.27
59
750.537
4153
null
null
2.91e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.7462191
0.342496078
16.7462191
0.245675462
1.758839313
0.245675462
-7.168632199
-0.342496078
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_576
-10.0
4.120442253
1.105729543
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
33.91203081
null
-10.0
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'L', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4153
null
159.75
0.0
560.631853
0.0
103.3051672
-5.189948543
-5.276729542
-43.25642692
-61.31348445
-42.29190339
-64.44186071
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
71a6d9da3b6041ac1f9d0e9ae228bb4740482986eb0539436f4e587bbfe40a85
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,153
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'meL', 'P', 'meL', 'F']
46
4154
-5.27
-5.27
Circle
1
-2.53e-16
-2.728611251
-2.29e-16
-2.848007412
-9.06e-17
-1.136012854
6.66e-16
-0.249287767
3.194145574
4518.643012
106.0
null
null
103.0470054
96.9882332
27.9882332
54.40106466
48.84821857
14.40100497
10.04918691
10.04918691
6.362386751
6.362386751
3.934680614
3.934680614
null
null
null
null
311.4858662
27.45625465
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.689655172
1.172413793
1.706896552
0.704545455
104.0
PEPTIDE4154{[dP].[Me_dA].[meL].[meL].P.[meL].F}$PEPTIDE4154,PEPTIDE4154,1:R1-7:R2$$$
PEPTIDE4154{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4154,PEPTIDE4154,1:R1-7:R2$$$
-4.49
58
738.526
4154
null
null
2.39e+42
9.366176303
19.97782252
10.56862906
442.5222501
null
17.05456233
0.342180206
17.05456233
0.245675665
1.873069011
0.245675665
-7.480397538
-0.342180206
3.1757
221.8177
808.078
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
19
0
3
3
322
hepta_577
-5.27
2.967921041
-0.217752521
34.70927174
42.12524728
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
124.032431
16.44910267
null
-5.27
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C
128.1851842
41.35025811
0.0
34.70927174
17.68187306
141.0718913
40.89702697
35.77554503
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'meL', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
153.7719907
39.93468519
17.68187306
191.3487524
30.21209354
1.411842078
0.0
0
2020_Townsend
4154
null
150.96
55.17
614.2081859
0.0
101.1836246
-2.703900398
-2.8308388
-52.0293601
-60.61135228
-50.80633711
-77.99335518
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
4
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.424272131
null
756cf36ac29096bf7fb5307fe4948134d18e771b7f55cb7523a61c3ad87504db
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,154
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'Bn_Gly', 'P', 'L', 'F']
47
4155
-6.04
-6.04
Circle
4
-1.54e-16
-2.707545291
-1.7e-16
-2.855770806
7.04e-18
-1.134995374
2.34e-15
-0.249287762
2.592948797
4584.247812
115.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.967941623
3.967941623
null
null
null
null
314.7248211
24.75582106
33.56176029
0
0
0
0
0
0
0.0
61.68413503
813.4788974
0.745762712
1.355932203
2.0
0.577777778
120.0
PEPTIDE4155{[dP].[Me_dA].[meL].[Bn_Gly].P.L.F}$PEPTIDE4155,PEPTIDE4155,1:R1-7:R2$$$
PEPTIDE4155{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4155,PEPTIDE4155,1:R1-7:R2$$$
-5.27
59
750.537
4155
null
null
2.6899999999999998e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.97167505
0.342504272
16.97167505
0.245675664
1.792903542
0.245675664
-7.145703151
-0.342504272
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_578
-6.04
4.046252125
0.958272512
35.11917536
42.60421449
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
27.41517112
null
-6.04
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CN(Cc2ccccc2)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'Bn_Gly', 'P', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4155
null
159.75
12.75
560.8600663
0.0
103.2023686
-5.087149873
-5.465718924
-43.08351665
-61.69128477
-42.05008271
-64.5180153
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
ab573167e444d2561930a220c3216b4bd88d34b7efcf9b3cea7b205c547793ad
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,155
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'bHph', 'P', 'L', 'F']
43
4156
-5.95
-5.95
Circle
5
-1.81e-16
-2.695474594
-6.31e-17
-2.86859636
1.8e-17
-1.134687049
2.43e-15
-0.249287762
2.533503079
4593.757587
141.0
null
null
98.011107
91.4882332
28.4882332
52.94251654
46.26903896
14.98018458
10.12836652
10.12836652
6.245098969
6.245098969
3.870211046
3.870211046
null
null
null
null
314.3388244
28.95026377
33.56176029
0
0
0
0
0
0
0.0
57.57185936
813.4788974
0.711864407
1.254237288
1.847457627
0.577777778
140.0
PEPTIDE4156{[dP].[Me_dA].L.[bHph].P.L.F}$PEPTIDE4156,PEPTIDE4156,1:R1-7:R2$$$
PEPTIDE4156{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4156,PEPTIDE4156,1:R1-7:R2$$$
-5.27
59
750.537
4156
null
null
2.3999999999999998e+39
10.24948353
20.61658265
11.91281718
436.8690661
null
16.56547364
0.350730365
16.56547364
0.245675664
1.784890333
0.245675664
-6.789276857
-0.350730365
2.7358
223.2438
814.041
Circle
7
7
null
4
14
null
null
0
3
3
2
0
2
7
4
14
0
14
0
3
3
320
hepta_579
-5.95
3.644397346
0.83232513
35.93898261
36.10735481
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
74.37718478
96.3051479
23.30289545
null
-5.95
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
120.0838834
41.35025811
0.0
35.93898261
11.78791537
133.741032
19.96954627
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'bHph', 'P', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.4060999999999997, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 29.1, 29.1]
21.23925341
0.0
0.0
0.0
118.1447808
46.30761009
11.78791537
170.8715927
60.42418708
5.647368313
0.0
0
2020_Townsend
4156
null
177.33
15.62
559.5947409
0.0
106.8936535
-10.20946275
-5.395688371
-42.28351349
-67.30421173
-54.04490989
-45.08394147
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
3
4
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.316968996
null
48ac51684981b5209f344b2ba3f56ed606c6659d2bebd45178e02248f36f90d1
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,157
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'meL', 'P', 'Bn_Gly', 'F']
47
4158
-5.4
-5.4
Circle
1
-2.19e-16
-2.718718702
-6.23e-17
-2.852834077
4.18e-17
-1.135755959
2.16e-15
-0.249287767
2.601408493
4584.247812
116.0
null
null
98.011107
91.4882332
28.4882332
52.86516627
46.32182536
14.92739817
10.20058011
10.20058011
6.41050707
6.41050707
3.995892473
3.995892473
null
null
null
null
314.7248211
30.23885528
33.56176029
0
0
0
0
0
0
0.0
56.2011008
813.4788974
0.745762712
1.338983051
1.949152542
0.577777778
108.0
PEPTIDE4158{[dP].[Me_dA].L.[meL].P.[Bn_Gly].F}$PEPTIDE4158,PEPTIDE4158,1:R1-7:R2$$$
PEPTIDE4158{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4158,PEPTIDE4158,1:R1-7:R2$$$
-5.27
59
750.537
4158
null
null
4.59e+39
10.24948353
20.12706948
11.0676877
437.1728958
null
16.93021795
0.342505861
16.93021795
0.245675462
1.754331899
0.245675462
-7.230529842
-0.342505861
2.9892
223.0364
814.041
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
15
0
3
3
320
hepta_581
-5.4
4.051441918
1.131152099
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
96.01625856
33.91203081
null
-5.4
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C1=O
120.0017164
41.35025811
0.0
35.11917536
11.78791537
121.4741494
33.44223285
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'meL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
46.43154487
11.78791537
167.2401849
60.42418708
2.823684157
0.0
0
2020_Townsend
4158
null
159.75
44.93
560.8784285
0.0
103.2392123
-5.12399364
-5.285224972
-43.30155695
-61.3163404
-42.37193976
-64.55191844
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.414938484
null
f4957e8ae35e2776fa92bc1bead8973d0d7b0dac7cee7b5f6a7c867a839eb0a4
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,158
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'bHph', 'P', 'Me_dL', 'F']
48
4159
-5.79
-5.79
Circle
1
-2.25e-16
-2.703042909
-1.17e-16
-2.864993579
-2.04e-17
-1.134987542
1.67e-15
-0.249287763
2.591051242
4703.026224
120.0
null
null
100.511107
93.9882332
28.9882332
54.15384141
47.54543216
15.20379138
10.35197332
10.35197332
6.458447614
6.458447614
3.998934518
3.998934518
null
null
null
null
320.9047477
27.53842169
33.56176029
0
0
0
0
0
0
0.0
61.68413503
827.4945474
0.716666667
1.283333333
1.9
0.586956522
121.0
PEPTIDE4159{[dP].[Me_dA].[dL].[bHph].P.[Me_dL].F}$PEPTIDE4159,PEPTIDE4159,1:R1-7:R2$$$
PEPTIDE4159{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4159,PEPTIDE4159,1:R1-7:R2$$$
-5.27
60
762.548
4159
null
null
6.34e+40
10.32069879
20.80932391
11.50832527
446.1958641
null
16.69814146
0.350730365
16.69814146
0.245675665
1.813721392
0.245675665
-7.067198502
-0.350730365
3.078
227.8711
828.068
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
326
hepta_582
-5.79
3.536230794
0.898346641
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
74.37718478
107.3932505
23.30289545
null
-5.79
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
11.78791537
133.741032
26.94537317
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'bHph', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.4060999999999997, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
46.30761009
11.78791537
174.9838684
60.42418708
4.235526235
0.0
0
2020_Townsend
4159
null
168.54
21.53
579.850458
0.0
105.3706755
-7.81882065
-5.505696039
-43.1539351
-68.57402443
-54.96464183
-51.78734883
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.367874367
null
e55564110f0294067e73f97655bbdc97b471ab35dbe59f2f84c0a3feccf42e2b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,159
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Bn_Gly', 'Me_dL', 'P', 'Me_dL', 'F']
53
4160
-5.75
-5.75
Circle
6
-2.02e-16
-2.708333315
-1.42e-16
-2.847553557
1.55e-16
-1.135165431
1.52e-15
-0.249287762
2.649833666
4693.516449
106.0
null
null
100.511107
93.9882332
28.9882332
54.07649114
47.59821857
15.15100497
10.42418691
10.42418691
6.623855714
6.623855714
4.096665096
4.096665096
null
null
null
null
321.2907444
28.8270132
33.56176029
0
0
0
0
0
0
0.0
60.31337647
827.4945474
0.733333333
1.283333333
1.85
0.586956522
103.0
PEPTIDE4160{[dP].[Me_dA].[Bn_Gly].[Me_dL].P.[Me_dL].F}$PEPTIDE4160,PEPTIDE4160,1:R1-7:R2$$$
PEPTIDE4160{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4160,PEPTIDE4160,1:R1-7:R2$$$
-5.27
60
762.548
4160
null
null
6.34e+40
10.32069879
20.32669337
10.7198508
446.4996938
null
16.88470148
0.342180206
16.88470148
0.245675665
1.815009414
0.245675665
-7.152003775
-0.342180206
3.3314
227.6637
828.068
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
16
0
3
3
326
hepta_583
-5.75
3.990698689
1.119825312
34.70927174
42.60421449
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
107.1043611
27.41517112
null
-5.75
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1C(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(Cc2ccccc2)CC(=O)N1C
122.70215
41.35025811
0.0
34.70927174
11.78791537
121.4741494
40.41805975
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Bn_Gly', 'Me_dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
147.2751311
46.43154487
11.78791537
171.3524606
60.42418708
1.411842078
0.0
0
2020_Townsend
4160
null
150.96
23.3
580.9547605
0.0
101.6394501
-2.648245813
-5.505450756
-43.99244889
-62.68082687
-43.0189601
-71.33161152
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.429298935
null
25dac3397019e5f74ccae638505958ce7700dfbc73704f692c2dca6d6a36f01e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,160
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'Bn_Gly', 'P', 'Me_dL', 'F']
53
4161
-5.66
-5.66
Circle
3
-2.24e-16
-2.707788095
-1.35e-16
-2.846386196
-1.22e-17
-1.135205623
1.8e-15
-0.249287762
2.649644767
4693.516449
108.0
null
null
100.511107
93.9882332
28.9882332
54.07649114
47.59821857
15.15100497
10.42418691
10.42418691
6.623855714
6.623855714
4.096665096
4.096665096
null
null
null
null
321.2907444
23.34397898
33.56176029
0
0
0
0
0
0
0.0
65.7964107
827.4945474
0.733333333
1.283333333
1.883333333
0.586956522
105.0
PEPTIDE4161{[dP].[Me_dA].[Me_dL].[Bn_Gly].P.[Me_dL].F}$PEPTIDE4161,PEPTIDE4161,1:R1-7:R2$$$
PEPTIDE4161{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4161,PEPTIDE4161,1:R1-7:R2$$$
-5.27
60
762.548
4161
null
null
7.76e+41
10.32069879
20.32669337
10.7198508
446.4996938
null
17.05876182
0.342180206
17.05876182
0.245675665
1.831356251
0.245675665
-7.201178358
-0.342180206
3.3314
227.6637
828.068
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
16
0
3
3
326
hepta_584
-5.66
3.949069637
1.085483947
34.70927174
42.60421449
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
107.1043611
27.41517112
null
-5.66
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N1C
122.70215
41.35025811
0.0
34.70927174
11.78791537
121.4741494
40.41805975
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'Bn_Gly', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.3173, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
147.2751311
46.43154487
11.78791537
171.3524606
60.42418708
1.411842078
0.0
0
2020_Townsend
4161
null
150.96
27.83
581.1201112
0.0
101.6093126
-2.618108324
-5.575726592
-43.97211398
-62.88914428
-42.81096719
-71.4466968
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.429298935
null
2779aeb9b7f1c976740a64ffe03f7dc9ccf1d32c6a96eae8376543464a9fbca8
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,161
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'bHph', 'P', 'dL', 'F']
48
4162
-5.55
-5.55
Circle
8
-1.85e-16
-2.710361087
-1.27e-16
-2.863551145
-3.51e-17
-1.134997977
1.44e-15
-0.249287763
2.586596872
4703.026224
128.0
null
null
100.511107
93.9882332
28.9882332
54.15384141
47.54543216
15.20379138
10.35197332
10.35197332
6.458447614
6.458447614
3.998934518
3.998934518
null
null
null
null
320.9047477
27.53842169
33.56176029
0
0
0
0
0
0
0.0
61.68413503
827.4945474
0.716666667
1.316666667
1.95
0.586956522
128.0
PEPTIDE4162{[dP].[Me_dA].[Me_dL].[bHph].P.[dL].F}$PEPTIDE4162,PEPTIDE4162,1:R1-7:R2$$$
PEPTIDE4162{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4162,PEPTIDE4162,1:R1-7:R2$$$
-5.27
60
762.548
4162
null
null
1.22e+41
10.32069879
20.80932391
11.50832527
446.1958641
null
16.65256042
0.35072394
16.65256042
0.245675664
1.812949348
0.245675664
-7.075735191
-0.35072394
3.078
227.8711
828.068
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
326
hepta_585
-5.55
3.552464772
0.904933329
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
74.37718478
107.3932505
23.30289545
null
-5.55
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
11.78791537
133.741032
26.94537317
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'bHph', 'P', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.4060999999999997, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
46.30761009
11.78791537
174.9838684
60.42418708
4.235526235
0.0
0
2020_Townsend
4162
null
168.54
34.48
579.7512997
0.0
105.3024352
-7.766634993
-5.493681342
-43.13731482
-68.5439608
-54.77780214
-51.91767417
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.367874367
null
937fe40a21a9ac2ed08113a5a54f5461e1a69f720eed7b6894fbe4e47ad66141
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,162
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'bHph', 'P', 'meL', 'F']
46
4163
-5.92
-5.92
Circle
5
-2.03e-16
-2.703042909
-1.3e-16
-2.864993579
-4.58e-17
-1.134987542
1.32e-15
-0.249287763
2.591051242
4703.026224
111.0
null
null
100.511107
93.9882332
28.9882332
54.15384141
47.54543216
15.20379138
10.35197332
10.35197332
6.458447614
6.458447614
3.998934518
3.998934518
null
null
null
null
320.9047477
27.53842169
33.56176029
0
0
0
0
0
0
0.0
61.68413503
827.4945474
0.716666667
1.283333333
1.9
0.586956522
122.0
PEPTIDE4163{[dP].[Me_dA].[dL].[bHph].P.[meL].F}$PEPTIDE4163,PEPTIDE4163,1:R1-7:R2$$$
PEPTIDE4163{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4163,PEPTIDE4163,1:R1-7:R2$$$
-5.27
60
762.548
4163
null
null
2.02e+41
10.32069879
20.80932391
11.50832527
446.1958641
null
16.69814146
0.350730365
16.69814146
0.245675665
1.813721392
0.245675665
-7.067198502
-0.350730365
3.078
227.8711
828.068
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
326
hepta_586
-5.92
3.536230794
0.898346641
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
74.37718478
107.3932505
23.30289545
null
-5.92
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N1C
122.784317
41.35025811
0.0
35.52907898
11.78791537
133.741032
26.94537317
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'bHph', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.4060999999999997, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
46.30761009
11.78791537
174.9838684
60.42418708
4.235526235
0.0
0
2020_Townsend
4163
null
168.54
16.63
579.850458
0.0
105.3706755
-7.81882065
-5.505696039
-43.1539351
-68.57402443
-54.96464183
-51.78734883
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.367874367
null
550745131867435ceba669c57700b69a4cfec27992a70cec9b97485f74ae714d
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,163
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'Bn_Gly', 'P', 'meL', 'F']
51
4164
-5.42
-5.42
Circle
5
-2.24e-16
-2.707788095
-1.35e-16
-2.846386196
-1.22e-17
-1.135205623
1.8e-15
-0.249287762
2.649644767
4693.516449
104.0
null
null
100.511107
93.9882332
28.9882332
54.07649114
47.59821857
15.15100497
10.42418691
10.42418691
6.623855714
6.623855714
4.096665096
4.096665096
null
null
null
null
321.2907444
23.34397898
33.56176029
0
0
0
0
0
0
0.0
65.7964107
827.4945474
0.733333333
1.283333333
1.883333333
0.586956522
102.0
PEPTIDE4164{[dP].[Me_dA].[Me_dL].[Bn_Gly].P.[meL].F}$PEPTIDE4164,PEPTIDE4164,1:R1-7:R2$$$
PEPTIDE4164{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4164,PEPTIDE4164,1:R1-7:R2$$$
-5.27
60
762.548
4164
null
null
7.76e+41
10.32069879
20.32669337
10.7198508
446.4996938
null
17.05876182
0.342180206
17.05876182
0.245675665
1.831356251
0.245675665
-7.201178358
-0.342180206
3.3314
227.6637
828.068
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
16
0
3
3
326
hepta_587
-5.42
3.949069637
1.085483947
34.70927174
42.60421449
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
107.1043611
27.41517112
null
-5.42
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N1C
122.70215
41.35025811
0.0
34.70927174
11.78791537
121.4741494
40.41805975
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'Bn_Gly', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.3173, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
147.2751311
46.43154487
11.78791537
171.3524606
60.42418708
1.411842078
0.0
0
2020_Townsend
4164
null
150.96
43.55
581.1201112
0.0
101.6093126
-2.618108324
-5.575726592
-43.97211398
-62.88914428
-42.81096719
-71.4466968
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.429298935
null
9ade7e995bbfe759937abfcbad2139003f5eeee35c67a0137900edae952556f5
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,164
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'meL', 'P', 'Bn_Gly', 'F']
51
4165
-5.57
-5.57
Circle
1
-1.86e-16
-2.727892217
-8.07e-17
-2.84220054
4.43e-17
-1.136012131
1.88e-15
-0.249287767
2.65730088
4693.516449
91.0
null
null
100.511107
93.9882332
28.9882332
54.07649114
47.59821857
15.15100497
10.42418691
10.42418691
6.623855714
6.623855714
4.124615946
4.124615946
null
null
null
null
321.2907444
28.8270132
33.56176029
0
0
0
0
0
0
0.0
60.31337647
827.4945474
0.716666667
1.25
1.816666667
0.586956522
87.0
PEPTIDE4165{[dP].[Me_dA].[Me_dL].[meL].P.[Bn_Gly].F}$PEPTIDE4165,PEPTIDE4165,1:R1-7:R2$$$
PEPTIDE4165{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4165,PEPTIDE4165,1:R1-7:R2$$$
-5.27
60
762.548
4165
null
null
1.43e+42
10.32069879
20.32669337
10.7198508
446.4996938
null
17.06288577
0.342431664
17.06288577
0.245675462
1.776727732
0.245675462
-7.384257199
-0.342431664
3.3314
227.6637
828.068
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
16
0
3
3
326
hepta_588
-5.57
3.872635346
1.28261471
34.70927174
36.10735481
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
107.1043611
33.91203081
null
-5.57
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C
122.70215
41.35025811
0.0
34.70927174
11.78791537
121.4741494
40.41805975
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'meL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
147.2751311
46.43154487
11.78791537
171.3524606
60.42418708
1.411842078
0.0
0
2020_Townsend
4165
null
150.96
33.25
581.2606292
0.0
101.3875602
-2.396355939
-5.347185962
-44.22992304
-62.41082888
-42.99139792
-71.855831
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.429298935
null
06e6730eb286128405b7f095c22975def36414b2d05a2af3af9c55c3cdbb1ad0
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,165
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'Me_dL', 'P', 'Bn_Gly', 'F']
51
4166
-5.42
-5.42
Circle
4
-2.87e-16
-2.727892217
-1.59e-16
-2.84220054
2.74e-17
-1.136012131
1.73e-15
-0.249287767
2.65730088
4693.516449
76.0
null
null
100.511107
93.9882332
28.9882332
54.07649114
47.59821857
15.15100497
10.42418691
10.42418691
6.623855714
6.623855714
4.124615946
4.124615946
null
null
null
null
321.2907444
28.8270132
33.56176029
0
0
0
0
0
0
0.0
60.31337647
827.4945474
0.716666667
1.25
1.816666667
0.586956522
77.0
PEPTIDE4166{[dP].[Me_dA].[meL].[Me_dL].P.[Bn_Gly].F}$PEPTIDE4166,PEPTIDE4166,1:R1-7:R2$$$
PEPTIDE4166{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4166,PEPTIDE4166,1:R1-7:R2$$$
-5.27
60
762.548
4166
null
null
1.55e+42
10.32069879
20.32669337
10.7198508
446.4996938
null
17.06288577
0.342431664
17.06288577
0.245675462
1.776727732
0.245675462
-7.384257199
-0.342431664
3.3314
227.6637
828.068
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
16
0
3
3
326
hepta_589
-5.42
3.872635346
1.28261471
34.70927174
36.10735481
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
107.1043611
33.91203081
null
-5.42
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N1C
122.70215
41.35025811
0.0
34.70927174
11.78791537
121.4741494
40.41805975
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'Me_dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
147.2751311
46.43154487
11.78791537
171.3524606
60.42418708
1.411842078
0.0
0
2020_Townsend
4166
null
150.96
43.61
581.2606292
0.0
101.3875602
-2.396355939
-5.347185962
-44.22992304
-62.41082888
-42.99139792
-71.855831
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.429298935
null
bdc47831b5c533b4152cc5b3a890014d617a7ee52b8273e8d9698e3eeffa6cfe
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,166
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'bHph', 'P', 'Me_dL', 'F']
47
4167
-5.3
-5.3
Circle
2
-2.25e-16
-2.703042909
-1.17e-16
-2.864993579
-2.04e-17
-1.134987542
1.67e-15
-0.249287763
2.591051242
4703.026224
111.0
null
null
100.511107
93.9882332
28.9882332
54.15384141
47.54543216
15.20379138
10.35197332
10.35197332
6.458447614
6.458447614
3.998934518
3.998934518
null
null
null
null
320.9047477
27.53842169
33.56176029
0
0
0
0
0
0
0.0
61.68413503
827.4945474
0.716666667
1.283333333
1.9
0.586956522
114.0
PEPTIDE4167{[dP].[Me_dA].L.[bHph].P.[Me_dL].F}$PEPTIDE4167,PEPTIDE4167,1:R1-7:R2$$$
PEPTIDE4167{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4167,PEPTIDE4167,1:R1-7:R2$$$
-5.27
60
762.548
4167
null
null
6.34e+40
10.32069879
20.80932391
11.50832527
446.1958641
null
16.69814146
0.350730365
16.69814146
0.245675665
1.813721392
0.245675665
-7.067198502
-0.350730365
3.078
227.8711
828.068
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
326
hepta_590
-5.3
3.536230794
0.898346641
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
74.37718478
107.3932505
23.30289545
null
-5.3
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
11.78791537
133.741032
26.94537317
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'bHph', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.4060999999999997, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
46.30761009
11.78791537
174.9838684
60.42418708
4.235526235
0.0
0
2020_Townsend
4167
null
168.54
52.59
579.850458
0.0
105.3706755
-7.81882065
-5.505696039
-43.1539351
-68.57402443
-54.96464183
-51.78734883
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.367874367
null
8a55222385a0bf4ed1e62577255d385ceb5a7d29f1d781de90af2e93e40576ce
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,167
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
51
4168
-6.11
-6.11
Circle
3
-1.06e-16
-2.690277484
-1.26e-17
-2.840518582
3.05e-16
-1.13319578
10.13260376
-0.248079406
2.218480075
4758.997523
112.0
null
null
95.47520861
88.4882332
29.4882332
52.54059275
45.07182536
15.67739817
10.57558011
10.57558011
6.671976033
6.671976033
4.157876955
4.157876955
null
null
null
null
324.5296993
28.86809672
33.56176029
0
0
0
0
0
0
0.0
52.08882513
833.4475972
0.721311475
1.278688525
1.852459016
0.468085106
112.0
PEPTIDE4168{[dP].[Me_dA].[dL].[Bn_Gly].P.[Bn_Gly].F}$PEPTIDE4168,PEPTIDE4168,1:R1-7:R2$$$
PEPTIDE4168{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4168,PEPTIDE4168,1:R1-7:R2$$$
-6.05
61
774.559
4168
null
null
1.28e+39
11.30372809
20.47536328
11.21331168
441.1503396
null
16.74720417
0.342505615
16.74720417
0.245675462
1.712619139
0.245675462
-6.841249475
-0.342505615
3.1449
228.8824
834.031
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
12
0
3
3
324
hepta_591
-6.11
5.134955583
2.9328128
35.11917536
36.58632203
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
61.30082878
79.08818867
44.87809926
null
-6.11
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)CN(Cc2ccccc2)C1=O
114.5186821
41.35025811
0.0
35.11917536
5.893957685
101.8764075
32.96326564
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3173, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
128.9025347
52.92840456
5.893957685
147.243893
90.63628061
2.823684157
0.0
0
2020_Townsend
4168
null
159.75
10.85
527.7800367
0.0
103.4933586
-4.866659799
-7.766850753
-35.52039405
-63.02910021
-34.70988725
-58.21383651
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.353104375
null
693ab6a3a234ce2c65a8feb7445e03c8d4889c0368527bab2c672addd5db0520
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,170
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Bn_Gly', 'L', 'P', 'Bn_Gly', 'F']
50
4171
-5.63
-5.63
Circle
1
-1.51e-16
-2.684526497
-2.33e-17
-2.828024493
3.18e-16
-1.133174228
10.13377471
-0.248079711
2.218327108
4758.997523
115.0
null
null
95.47520861
88.4882332
29.4882332
52.54059275
45.07182536
15.67739817
10.57558011
10.57558011
6.671976033
6.671976033
4.185827804
4.185827804
null
null
null
null
324.5296993
28.86809672
33.56176029
0
0
0
0
0
0
0.0
52.08882513
833.4475972
0.68852459
1.163934426
1.672131148
0.468085106
113.0
PEPTIDE4171{[dP].[Me_dA].[Bn_Gly].L.P.[Bn_Gly].F}$PEPTIDE4171,PEPTIDE4171,1:R1-7:R2$$$
PEPTIDE4171{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4171,PEPTIDE4171,1:R1-7:R2$$$
-6.05
61
774.559
4171
null
null
2.24e+39
11.30372809
20.47536328
11.21331168
441.1503396
null
16.64790793
0.342747537
16.64790793
0.245675462
1.723099594
0.245675462
-6.741102916
-0.342747537
3.1449
228.8824
834.031
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
12
0
3
3
324
hepta_594
-5.63
5.261368118
3.134806355
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
61.30082878
79.08818867
51.37495894
null
-5.63
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@@H]1NC(=O)CN(Cc2ccccc2)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C1=O
114.5186821
41.35025811
0.0
35.11917536
5.893957685
101.8764075
32.96326564
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Bn_Gly', 'L', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
128.9025347
52.92840456
5.893957685
147.243893
90.63628061
2.823684157
0.0
0
2020_Townsend
4171
null
159.75
29.55
527.7398171
0.0
103.4534483
-4.826749499
-7.756204597
-35.46864481
-63.02347195
-34.80961593
-58.1419119
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.353104375
null
859dfc4ec5220501f0b811b9332f6658a8f03aa61958e0106f359291db6f6952
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,171
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'bHph', 'P', 'meL', 'F']
49
4172
-5.31
-5.31
Circle
2
-2.12e-16
-2.7115768
-1.37e-16
-2.857911419
6.03e-17
-1.135202217
1.5e-15
-0.249287763
2.642362924
4812.633734
126.0
null
null
103.011107
96.4882332
29.4882332
55.36516627
48.82182536
15.42739817
10.57558011
10.57558011
6.671796259
6.671796259
4.127657991
4.127657991
null
null
null
null
327.4706709
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
841.5101975
0.704918033
1.213114754
1.770491803
0.595744681
121.0
PEPTIDE4172{[dP].[Me_dA].[Me_dL].[bHph].P.[meL].F}$PEPTIDE4172,PEPTIDE4172,1:R1-7:R2$$$
PEPTIDE4172{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4172,PEPTIDE4172,1:R1-7:R2$$$
-5.27
61
774.559
4172
null
null
1.86e+43
10.39396068
21.00489121
11.56077646
455.5226621
null
16.78522824
0.35072394
16.78522824
0.245675665
1.851402057
0.245675665
-7.122868455
-0.35072394
3.4202
232.4984
842.095
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
332
hepta_595
-5.31
3.433322532
1.02301486
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
74.37718478
118.481353
23.30289545
null
-5.31
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
11.78791537
133.741032
33.92120007
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'bHph', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.4060999999999997, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
46.30761009
11.78791537
179.096144
60.42418708
2.823684157
0.0
0
2020_Townsend
4172
null
159.75
51.78
600.0774341
0.0
103.7250317
-5.321567352
-5.60368901
-44.00773643
-69.8137735
-55.69753409
-58.69149875
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.412453619
null
27c97e9271123682a06d46ba38f2e41a03e3e795772414ba4c5507d62efdf1d2
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,172
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'dL', 'bHph', 'P', 'Bn_Gly', 'F']
49
4173
-6.23
-6.23
Circle
6
-1.52e-16
-2.694100643
-2.48e-17
-2.861267968
1.86e-16
-1.133252392
10.09935991
-0.248081056
2.215205584
4878.402914
126.0
null
null
97.97520861
90.9882332
29.9882332
53.82926789
46.29543216
15.95379138
10.72697332
10.72697332
6.719916578
6.719916578
4.18886985
4.18886985
null
null
null
null
330.7096259
31.65069736
33.56176029
0
0
0
0
0
0
0.0
52.08882513
847.4632473
0.741935484
1.338709677
1.951612903
0.479166667
133.0
PEPTIDE4173{[dP].[Me_dA].[dL].[bHph].P.[Bn_Gly].F}$PEPTIDE4173,PEPTIDE4173,1:R1-7:R2$$$
PEPTIDE4173{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4173,PEPTIDE4173,1:R1-7:R2$$$
-6.05
62
786.57
4173
null
null
9.099999999999999e+39
11.35983112
21.15492169
11.64916291
450.1733078
null
16.64439979
0.350730365
16.64439979
0.245675462
1.72808705
0.245675462
-6.773073885
-0.350730365
3.2337
233.7171
848.058
Circle
7
7
null
3
14
null
null
0
3
3
3
0
3
7
3
14
0
12
0
3
3
330
hepta_596
-6.23
4.601704689
2.788806965
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
67.67375369
90.46518058
40.76582359
null
-6.23
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
5.893957685
114.1432901
26.46640595
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'dL', 'bHph', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.4060999999999997, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
52.80446978
5.893957685
154.9875765
90.63628061
4.235526235
0.0
0
2020_Townsend
4173
null
168.54
8.37
546.8065334
0.0
105.4094562
-7.387011959
-7.831069753
-35.56851191
-69.84889605
-47.1863923
-45.97744095
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.313081439
null
e33e62bc8cd737d32e93d84a989ba359fd9f70dc088a65252db9e9050943974e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,173
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
54
4174
-5.84
-5.84
Circle
5
-1.51e-16
-2.707541293
-3.83e-17
-2.830641907
2.41e-16
-1.133974154
10.10836126
-0.248274572
2.267309049
4868.893139
111.0
null
null
97.97520861
90.9882332
29.9882332
53.75191762
46.34821857
15.90100497
10.79918691
10.79918691
6.885324678
6.885324678
4.286600427
4.286600427
null
null
null
null
331.0956226
27.45625465
33.56176029
0
0
0
0
0
0
0.0
56.2011008
847.4632473
0.709677419
1.258064516
1.822580645
0.479166667
113.0
PEPTIDE4174{[dP].[Me_dA].[Me_dL].[Bn_Gly].P.[Bn_Gly].F}$PEPTIDE4174,PEPTIDE4174,1:R1-7:R2$$$
PEPTIDE4174{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4174,PEPTIDE4174,1:R1-7:R2$$$
-6.05
62
786.57
4174
null
null
1.75e+40
11.35983112
20.67658958
10.87245171
450.4771376
null
17.06387084
0.342431664
17.06387084
0.245675462
1.733057592
0.245675462
-7.127707808
-0.342431664
3.4871
233.5097
848.058
Circle
7
7
null
1
14
null
null
0
3
3
3
0
3
7
1
14
0
13
0
3
3
330
hepta_597
-5.84
4.874969718
3.062343749
34.70927174
36.58632203
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
61.30082878
90.17629124
44.87809926
null
-5.84
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@@H]1C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N1C
117.2191157
41.35025811
0.0
34.70927174
5.893957685
101.8764075
39.93909254
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.3173, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
140.7782714
52.92840456
5.893957685
151.3561687
90.63628061
1.411842078
0.0
0
2020_Townsend
4174
null
150.96
19.54
548.0583611
0.0
101.8132483
-2.310563865
-7.908531131
-36.368465
-64.28044163
-35.23009477
-65.35684633
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364998551
null
4527823c0a0211d02c132df97beff8785b79aed71a045cfcb0ed2a952d2b7981
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,174
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Bn_Gly', 'Bn_Gly', 'P', 'Me_dL', 'F']
54
4175
-5.47
-5.47
Circle
8
-1.54e-16
-2.700232662
-4.17e-17
-2.846109133
3.76e-16
-1.133987715
10.09048244
-0.24827205
2.2615177
4868.893139
115.0
null
null
97.97520861
90.9882332
29.9882332
53.75191762
46.34821857
15.90100497
10.79918691
10.79918691
6.885324678
6.885324678
4.258649578
4.258649578
null
null
null
null
331.0956226
30.19777176
33.56176029
0
0
0
0
0
0
0.0
53.45958369
847.4632473
0.709677419
1.241935484
1.822580645
0.479166667
115.0
PEPTIDE4175{[dP].[Me_dA].[Bn_Gly].[Bn_Gly].P.[Me_dL].F}$PEPTIDE4175,PEPTIDE4175,1:R1-7:R2$$$
PEPTIDE4175{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4175,PEPTIDE4175,1:R1-7:R2$$$
-6.05
62
786.57
4175
null
null
1.6499999999999998e+41
11.35983112
20.67658958
10.87245171
450.4771376
null
16.76150374
0.342180206
16.76150374
0.245675665
1.740762925
0.245675665
-6.980082696
-0.342180206
3.4871
233.5097
848.058
Circle
7
7
null
1
14
null
null
0
3
3
3
0
3
7
1
14
0
13
0
3
3
330
hepta_598
-5.47
4.840245348
2.886790438
34.70927174
43.08318171
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
61.30082878
90.17629124
38.38123957
null
-5.47
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N1C
117.2191157
41.35025811
0.0
34.70927174
5.893957685
101.8764075
39.93909254
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Bn_Gly', 'Bn_Gly', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 1.3173, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
140.7782714
52.92840456
5.893957685
151.3561687
90.63628061
1.411842078
0.0
0
2020_Townsend
4175
null
150.96
39.44
547.7445001
0.0
102.0651381
-2.562453739
-7.917777914
-36.28785865
-64.38463309
-35.47125646
-64.76899171
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364998551
null
d6a5c6cc98028f50048a91f07211b027482bc4673117c070ae8e5654b89361f9
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,175
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'bHph', 'P', 'meL', 'F']
47
4176
-5.33
-5.33
Circle
2
-2.12e-16
-2.7115768
-1.37e-16
-2.857911419
6.03e-17
-1.135202217
1.5e-15
-0.249287763
2.642362924
4812.633734
123.0
null
null
103.011107
96.4882332
29.4882332
55.36516627
48.82182536
15.42739817
10.57558011
10.57558011
6.671796259
6.671796259
4.127657991
4.127657991
null
null
null
null
327.4706709
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
841.5101975
0.704918033
1.213114754
1.770491803
0.595744681
116.0
PEPTIDE4176{[dP].[Me_dA].[meL].[bHph].P.[meL].F}$PEPTIDE4176,PEPTIDE4176,1:R1-7:R2$$$
PEPTIDE4176{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4176,PEPTIDE4176,1:R1-7:R2$$$
-5.27
61
774.559
4176
null
null
1.86e+43
10.39396068
21.00489121
11.56077646
455.5226621
null
16.78522824
0.35072394
16.78522824
0.245675665
1.851402057
0.245675665
-7.122868455
-0.35072394
3.4202
232.4984
842.095
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
332
hepta_599
-5.33
3.433322532
1.02301486
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
74.37718478
118.481353
23.30289545
null
-5.33
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
11.78791537
133.741032
33.92120007
71.55109006
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'bHph', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.4060999999999997, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
46.30761009
11.78791537
179.096144
60.42418708
2.823684157
0.0
0
2020_Townsend
4176
null
159.75
50.36
600.0774341
0.0
103.7250317
-5.321567352
-5.60368901
-44.00773643
-69.8137735
-55.69753409
-58.69149875
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.412453619
null
3951e1ecc9409e452e9d55ca3adeff2edded35cef390eb1f3784556b90bb410e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,176
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Bn_Gly', 'bHph', 'P', 'L', 'F']
48
4177
-10.0
-10
Circle
9
-1e-16
-2.684658813
-3.51e-17
-2.858760805
3.29e-16
-1.133219605
10.09743258
-0.248081335
2.209165641
4878.402914
144.0
null
null
97.97520861
90.9882332
29.9882332
53.82926789
46.29543216
15.95379138
10.72697332
10.72697332
6.719916578
6.719916578
4.18886985
4.18886985
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
330.7096259
28.90918025
33.56176029
0
0
0
0
0
0
0.0
54.83034225
847.4632473
0.741935484
1.338709677
1.967741935
0.479166667
142.0
PEPTIDE4177{[dP].[Me_dA].[Bn_Gly].[bHph].P.L.F}$PEPTIDE4177,PEPTIDE4177,1:R1-7:R2$$$
PEPTIDE4177{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4177,PEPTIDE4177,1:R1-7:R2$$$
-6.05
62
786.57
4177
null
null
2.7399999999999997e+40
11.35983112
21.15492169
11.64916291
450.1733078
null
16.65766943
0.350975417
16.65766943
0.245675664
1.724400104
0.245675664
-6.736695463
-0.350975417
3.2337
233.7171
848.058
Circle
7
7
null
3
14
null
null
0
3
3
3
0
3
7
3
14
0
12
0
3
3
330
hepta_600
-10.0
4.680419422
2.773258863
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
67.67375369
90.46518058
40.76582359
null
-10.0
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
5.893957685
114.1432901
26.46640595
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Bn_Gly', 'bHph', 'P', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 1.4060999999999997, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
52.80446978
5.893957685
154.9875765
90.63628061
4.235526235
0.0
0
2020_Townsend
4177
null
168.54
0.0
546.7584371
0.0
105.4201465
-7.330351394
-7.839768326
-35.61311304
-69.87040789
-47.08433387
-46.0239424
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.313081439
null
c9cbb215822db37aab737f64af33ee40bdb3bc1c4f7785feb295a7ffaf17059d
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,177
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'L', 'bHph', 'P', 'Bn_Gly', 'F']
48
4178
-5.68
-5.68
Circle
2
-1.52e-16
-2.694100643
-2.48e-17
-2.861267968
1.86e-16
-1.133252392
10.09935991
-0.248081056
2.215205584
4878.402914
125.0
null
null
97.97520861
90.9882332
29.9882332
53.82926789
46.29543216
15.95379138
10.72697332
10.72697332
6.719916578
6.719916578
4.18886985
4.18886985
null
null
null
null
330.7096259
31.65069736
33.56176029
0
0
0
0
0
0
0.0
52.08882513
847.4632473
0.741935484
1.338709677
1.951612903
0.479166667
125.0
PEPTIDE4178{[dP].[Me_dA].L.[bHph].P.[Bn_Gly].F}$PEPTIDE4178,PEPTIDE4178,1:R1-7:R2$$$
PEPTIDE4178{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4178,PEPTIDE4178,1:R1-7:R2$$$
-6.05
62
786.57
4178
null
null
9.099999999999999e+39
11.35983112
21.15492169
11.64916291
450.1733078
null
16.64439979
0.350730365
16.64439979
0.245675462
1.72808705
0.245675462
-6.773073885
-0.350730365
3.2337
233.7171
848.058
Circle
7
7
null
3
14
null
null
0
3
3
3
0
3
7
3
14
0
12
0
3
3
330
hepta_601
-5.68
4.601704689
2.788806965
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
67.67375369
90.46518058
40.76582359
null
-5.68
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@@H]2CCCN2C(=O)C[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
5.893957685
114.1432901
26.46640595
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'L', 'bHph', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.4060999999999997, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
52.80446978
5.893957685
154.9875765
90.63628061
4.235526235
0.0
0
2020_Townsend
4178
null
168.54
26.78
546.8065334
0.0
105.4094562
-7.387011959
-7.831069753
-35.56851191
-69.84889605
-47.1863923
-45.97744095
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.313081439
null
deeb95998b1c6898f181ba3de2ce290a13be4dc0f675a177716b71f8e36939dd
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,178
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Bn_Gly', 'bHph', 'P', 'Me_dL', 'F']
52
4179
-5.63
-5.63
Circle
4
-2.05e-16
-2.701087895
-8.94e-17
-2.850201354
1.75e-16
-1.133988994
4.42e-15
-0.248273327
2.25669327
4988.623117
118.0
null
null
100.4752086
93.4882332
30.4882332
55.04059275
47.57182536
16.17739817
10.95058011
10.95058011
6.933265223
6.933265223
4.317593323
4.317593323
null
null
null
null
337.2755492
32.98037239
33.56176029
0
0
0
0
0
0
0.0
53.45958369
861.4788974
0.746031746
1.317460317
1.920634921
0.489795918
119.0
PEPTIDE4179{[dP].[Me_dA].[Bn_Gly].[bHph].P.[Me_dL].F}$PEPTIDE4179,PEPTIDE4179,1:R1-7:R2$$$
PEPTIDE4179{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4179,PEPTIDE4179,1:R1-7:R2$$$
-6.05
63
798.581
4179
null
null
1.61e+42
11.41882426
21.35224675
11.70542262
459.5001058
null
16.79033726
0.350975417
16.79033726
0.245675665
1.742288523
0.245675665
-7.023153796
-0.350975417
3.5759
238.3444
862.085
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
13
0
3
3
336
hepta_602
-5.63
4.30808821
2.517791907
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
67.67375369
101.5532831
40.76582359
null
-5.63
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N1C
120.0017164
41.35025811
0.0
35.11917536
5.893957685
114.1432901
33.44223285
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Bn_Gly', 'bHph', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 1.4060999999999997, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
52.80446978
5.893957685
159.0998522
90.63628061
2.823684157
0.0
0
2020_Townsend
4179
null
159.75
29.44
566.9957476
0.0
103.9158275
-4.958368307
-7.975087785
-36.44832604
-71.19567469
-47.96353943
-52.70391223
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.350639061
null
bf3dab08ae2162c0aa8dea139ef486b1864f5330b43798705822c7d37dad1b3e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,179
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Me_dL', 'bHph', 'P', 'Bn_Gly', 'F']
52
4180
-5.8
-5.8
Circle
1
-1.24e-16
-2.710003586
-3.99e-17
-2.851193236
1.87e-16
-1.134026561
6.12e-15
-0.248275854
2.260998676
4988.623117
125.0
null
null
100.4752086
93.4882332
30.4882332
55.04059275
47.57182536
16.17739817
10.95058011
10.95058011
6.933265223
6.933265223
4.317593323
4.317593323
null
null
null
null
337.2755492
32.98037239
33.56176029
0
0
0
0
0
0
0.0
53.45958369
861.4788974
0.746031746
1.333333333
1.936507937
0.489795918
104.0
PEPTIDE4180{[dP].[Me_dA].[Me_dL].[bHph].P.[Bn_Gly].F}$PEPTIDE4180,PEPTIDE4180,1:R1-7:R2$$$
PEPTIDE4180{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4180,PEPTIDE4180,1:R1-7:R2$$$
-6.05
63
798.581
4180
null
null
9.869999999999999e+41
11.41882426
21.35224675
11.70542262
459.5001058
null
16.70594442
0.35072394
16.70594442
0.245675462
1.745975469
0.245675462
-7.059532218
-0.35072394
3.5759
238.3444
862.085
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
13
0
3
3
336
hepta_603
-5.8
4.281181884
2.512546619
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
67.67375369
101.5532831
40.76582359
null
-5.8
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N1C
120.0017164
41.35025811
0.0
35.11917536
5.893957685
114.1432901
33.44223285
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Me_dL', 'bHph', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.4060999999999997, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
52.80446978
5.893957685
159.0998522
90.63628061
2.823684157
0.0
0
2020_Townsend
4180
null
159.75
21.04
567.0062174
0.0
103.8122934
-4.938239677
-7.954374516
-36.39503459
-71.15602388
-47.88841721
-52.81975426
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.350639061
null
2e0af7dbd50078efa801c71c8053e3a20d75784d41478af4b4ba0151f8c7a687
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,180
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'meL', 'bHph', 'P', 'Bn_Gly', 'F']
50
4181
-6.26
-6.26
Circle
6
-1.24e-16
-2.710003586
-3.99e-17
-2.851193236
1.87e-16
-1.134026561
6.12e-15
-0.248275854
2.260998676
4988.623117
123.0
null
null
100.4752086
93.4882332
30.4882332
55.04059275
47.57182536
16.17739817
10.95058011
10.95058011
6.933265223
6.933265223
4.317593323
4.317593323
null
null
null
null
337.2755492
32.98037239
33.56176029
0
0
0
0
0
0
0.0
53.45958369
861.4788974
0.746031746
1.333333333
1.936507937
0.489795918
118.0
PEPTIDE4181{[dP].[Me_dA].[meL].[bHph].P.[Bn_Gly].F}$PEPTIDE4181,PEPTIDE4181,1:R1-7:R2$$$
PEPTIDE4181{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4181,PEPTIDE4181,1:R1-7:R2$$$
-6.05
63
798.581
4181
null
null
9.869999999999999e+41
11.41882426
21.35224675
11.70542262
459.5001058
null
16.70594442
0.35072394
16.70594442
0.245675462
1.745975469
0.245675462
-7.059532218
-0.35072394
3.5759
238.3444
862.085
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
13
0
3
3
336
hepta_604
-6.26
4.281181884
2.512546619
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
67.67375369
101.5532831
40.76582359
null
-6.26
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N1C
120.0017164
41.35025811
0.0
35.11917536
5.893957685
114.1432901
33.44223285
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'meL', 'bHph', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.4060999999999997, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
52.80446978
5.893957685
159.0998522
90.63628061
2.823684157
0.0
0
2020_Townsend
4181
null
159.75
7.97
567.0062174
0.0
103.8122934
-4.938239677
-7.954374516
-36.39503459
-71.15602388
-47.88841721
-52.81975426
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.350639061
null
9587c9b4fabd4bf5bd9a196e14542546af84e1e6f02497ae8586b7162c317ddb
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,181
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Me_dA', 'Bn_Gly', 'bHph', 'P', 'meL', 'F']
50
4182
-5.47
-5.47
Circle
3
-2.05e-16
-2.701087895
-8.94e-17
-2.850201354
1.75e-16
-1.133988994
4.42e-15
-0.248273327
2.25669327
4988.623117
128.0
null
null
100.4752086
93.4882332
30.4882332
55.04059275
47.57182536
16.17739817
10.95058011
10.95058011
6.933265223
6.933265223
4.317593323
4.317593323
null
null
null
null
337.2755492
32.98037239
33.56176029
0
0
0
0
0
0
0.0
53.45958369
861.4788974
0.746031746
1.317460317
1.920634921
0.489795918
130.0
PEPTIDE4182{[dP].[Me_dA].[Bn_Gly].[bHph].P.[meL].F}$PEPTIDE4182,PEPTIDE4182,1:R1-7:R2$$$
PEPTIDE4182{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4182,PEPTIDE4182,1:R1-7:R2$$$
-6.05
63
798.581
4182
null
null
1.61e+42
11.41882426
21.35224675
11.70542262
459.5001058
null
16.79033726
0.350975417
16.79033726
0.245675665
1.742288523
0.245675665
-7.023153796
-0.350975417
3.5759
238.3444
862.085
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
13
0
3
3
336
hepta_605
-5.47
4.30808821
2.517791907
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
104.3400648
67.67375369
101.5532831
40.76582359
null
-5.47
null
null
null
null
null
null
null
null
null
null
6
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](C)C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N1C
120.0017164
41.35025811
0.0
35.11917536
5.893957685
114.1432901
33.44223285
107.3266351
0
0.0
null
null
null
null
['dP', 'Me_dA', 'Bn_Gly', 'bHph', 'P', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 1.4060999999999997, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
135.3993944
52.80446978
5.893957685
159.0998522
90.63628061
2.823684157
0.0
0
2020_Townsend
4182
null
159.75
39.84
566.9957476
0.0
103.9158275
-4.958368307
-7.975087785
-36.44832604
-71.19567469
-47.96353943
-52.70391223
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
3
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.350639061
null
f429aa5bf0e64d91122ac623c278be1905691312fbe5e24bcf7a4634f55247d3
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,182
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'dL', 'dP', 'L', 'F']
41
4183
-6.78
-6.78
Circle
6
-2.04e-16
-2.704833216
-1.87e-16
-2.865903827
-6.27e-17
-1.135355485
9.85e-16
-0.249287767
2.990283205
4193.826765
136.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.548510196
3.548510196
null
null
null
null
291.7880964
22.05538747
33.56176029
0
0
0
0
0
0
0.0
64.46673566
765.4788974
0.709090909
1.2
1.763636364
0.682926829
134.0
PEPTIDE4183{[dP].[meA].[dL].[dL].[dP].L.F}$PEPTIDE4183,PEPTIDE4183,1:R1-7:R2$$$
PEPTIDE4183{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4183,PEPTIDE4183,1:R1-7:R2$$$
-4.49
55
702.493
4183
null
null
5.53e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.50247379
0.342513904
16.50247379
0.245675664
1.79433205
0.245675664
-6.969263397
-0.342513904
2.1491
207.9358
765.997
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
16
0
3
3
304
hepta_606
-6.78
3.347006641
-0.601426404
35.93898261
42.12524728
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
90.76812331
16.44910267
null
-6.78
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'dL', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 29.1, 29.1]
21.23925341
0.0
0.0
0.0
118.1447808
39.93468519
17.68187306
179.0119254
30.21209354
5.647368313
0.0
0
2020_Townsend
4183
null
177.33
2.48
553.1167361
0.0
106.4744394
-10.62267207
-2.707534038
-49.09469625
-57.47504071
-48.55552098
-56.46904484
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
3
4
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.3135853
null
0d316525cd14ab354d1e7da0fff5724bc520451e60f1390768604639ffe881ee
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,183
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'dL', 'dP', 'dL', 'F']
41
4184
-6.35
-6.35
Circle
6
-2.2e-16
-2.704833216
-1.69e-16
-2.865903827
-9.03e-17
-1.135355485
9.18e-16
-0.249287767
2.990283205
4193.826765
149.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.548510196
3.548510196
null
null
null
null
291.7880964
22.05538747
33.56176029
0
0
0
0
0
0
0.0
64.46673566
765.4788974
0.709090909
1.2
1.763636364
0.682926829
148.0
PEPTIDE4184{[dP].[meA].L.[dL].[dP].[dL].F}$PEPTIDE4184,PEPTIDE4184,1:R1-7:R2$$$
PEPTIDE4184{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4184,PEPTIDE4184,1:R1-7:R2$$$
-4.49
55
702.493
4184
null
null
3.5e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.50247379
0.342513904
16.50247379
0.245675664
1.79433205
0.245675664
-6.969263397
-0.342513904
2.1491
207.9358
765.997
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
16
0
3
3
304
hepta_607
-6.35
3.347006641
-0.601426404
35.93898261
42.12524728
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
90.76812331
16.44910267
null
-6.35
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'dL', 'dP', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 29.1, 29.1]
21.23925341
0.0
0.0
0.0
118.1447808
39.93468519
17.68187306
179.0119254
30.21209354
5.647368313
0.0
0
2020_Townsend
4184
null
177.33
6.47
553.1167361
0.0
106.4744394
-10.62267207
-2.707534038
-49.09469625
-57.47504071
-48.55552098
-56.46904484
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
3
4
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.3135853
null
e98b8701da8c0ac4ee06407c66486ef94b6e5707212b1b4b719e451b9337e6a3
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,184
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'L', 'dP', 'dL', 'F']
41
4185
-6.14
-6.14
Circle
1
-2.55e-16
-2.704833216
-1.81e-16
-2.865903827
-7.92e-17
-1.135355485
1.03e-15
-0.249287767
2.990283205
4193.826765
147.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.548510196
3.548510196
null
null
null
null
291.7880964
22.05538747
33.56176029
0
0
0
0
0
0
0.0
64.46673566
765.4788974
0.709090909
1.2
1.763636364
0.682926829
145.0
PEPTIDE4185{[dP].[meA].[dL].L.[dP].[dL].F}$PEPTIDE4185,PEPTIDE4185,1:R1-7:R2$$$
PEPTIDE4185{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4185,PEPTIDE4185,1:R1-7:R2$$$
-4.49
55
702.493
4185
null
null
2.12e+38
9.12088157
19.39277693
11.28572685
414.5418561
null
16.50247379
0.342513904
16.50247379
0.245675664
1.79433205
0.245675664
-6.969263397
-0.342513904
2.1491
207.9358
765.997
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
16
0
3
3
304
hepta_608
-6.14
3.347006641
-0.601426404
35.93898261
42.12524728
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
90.76812331
16.44910267
null
-6.14
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C1=O
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'L', 'dP', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 29.1, 29.1]
21.23925341
0.0
0.0
0.0
118.1447808
39.93468519
17.68187306
179.0119254
30.21209354
5.647368313
0.0
0
2020_Townsend
4185
null
177.33
10.26
553.1167361
0.0
106.4744394
-10.62267207
-2.707534038
-49.09469625
-57.47504071
-48.55552098
-56.46904484
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
3
4
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.3135853
null
f9cc042fa7c86bd4fe3d250b5a74ec651b64d457b2952f1a66620368893664f6
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,185
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'L', 'dP', 'L', 'F']
40
4186
-6.31
-6.31
Circle
7
-2.04e-16
-2.704833216
-1.87e-16
-2.865903827
-6.27e-17
-1.135355485
9.85e-16
-0.249287767
2.990283205
4193.826765
133.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.548510196
3.548510196
null
null
null
null
291.7880964
22.05538747
33.56176029
0
0
0
0
0
0
0.0
64.46673566
765.4788974
0.709090909
1.2
1.763636364
0.682926829
131.0
PEPTIDE4186{[dP].[meA].[dL].L.[dP].L.F}$PEPTIDE4186,PEPTIDE4186,1:R1-7:R2$$$
PEPTIDE4186{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4186,PEPTIDE4186,1:R1-7:R2$$$
-4.49
55
702.493
4186
null
null
5.53e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.50247379
0.342513904
16.50247379
0.245675664
1.79433205
0.245675664
-6.969263397
-0.342513904
2.1491
207.9358
765.997
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
16
0
3
3
304
hepta_609
-6.31
3.347006641
-0.601426404
35.93898261
42.12524728
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
90.76812331
16.44910267
null
-6.31
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'L', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 29.1, 29.1]
21.23925341
0.0
0.0
0.0
118.1447808
39.93468519
17.68187306
179.0119254
30.21209354
5.647368313
0.0
0
2020_Townsend
4186
null
177.33
7.06
553.1167361
0.0
106.4744394
-10.62267207
-2.707534038
-49.09469625
-57.47504071
-48.55552098
-56.46904484
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
3
4
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.3135853
null
9d3a911a149653499358f0db73628b2d497da9119e702439a2db5a19723984bb
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,186
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'dL', 'dP', 'Me_dL', 'F']
45
4187
-5.3
-5.3
Circle
8
-2.1e-16
-2.708133611
-1.95e-16
-2.863712072
-6.83e-17
-1.135355964
9.92e-16
-0.249287767
3.062604399
4301.733481
116.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
125.0
PEPTIDE4187{[dP].[meA].[dL].[dL].[dP].[Me_dL].F}$PEPTIDE4187,PEPTIDE4187,1:R1-7:R2$$$
PEPTIDE4187{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4187,PEPTIDE4187,1:R1-7:R2$$$
-4.49
56
714.504
4187
null
null
1.8e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.6364317
0.342513904
16.6364317
0.245675665
1.832784759
0.245675665
-7.126012679
-0.342513904
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_610
-5.3
3.276193183
-0.507331064
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.3
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'dL', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4187
null
168.54
52.66
573.3636775
0.0
104.8987771
-8.171024149
-2.772397078
-50.04949728
-58.60015451
-49.3967006
-63.35601428
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
1a83050ae40cefc76ca0cf0bfa4408a4276c35daacd5265c807c4a12bed3ed7e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,187
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'dL', 'dP', 'dL', 'F']
45
4188
-5.66
-5.66
Circle
3
-2.49e-16
-2.715714376
-1.91e-16
-2.861153505
-8.97e-17
-1.135673155
9.72e-16
-0.249287767
3.055395428
4301.733481
131.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.267857143
1.892857143
0.69047619
130.0
PEPTIDE4188{[dP].[meA].[Me_dL].[dL].[dP].[dL].F}$PEPTIDE4188,PEPTIDE4188,1:R1-7:R2$$$
PEPTIDE4188{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4188,PEPTIDE4188,1:R1-7:R2$$$
-4.49
56
714.504
4188
null
null
1.23e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.58956057
0.342504271
16.58956057
0.245675664
1.816727883
0.245675664
-7.186627542
-0.342504271
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_611
-5.66
3.30736323
-0.501581511
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.66
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'dL', 'dP', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4188
null
168.54
28.0
573.1986351
0.0
104.8301493
-8.10239631
-2.740663969
-50.05392969
-58.49468668
-49.21018774
-63.51025332
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
91d4c331f3e022eba6714119a1b2cf54817eb47c0f7c6169c8beaa5058a418ac
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,188
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'Me_dL', 'dP', 'L', 'F']
44
4189
-6.49
-6.49
Circle
6
-2.32e-16
-2.719003505
-2.26e-16
-2.85853353
-1.15e-16
-1.135757679
9.39e-16
-0.249287767
3.057819478
4301.733481
120.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
120.0
PEPTIDE4189{[dP].[meA].[dL].[Me_dL].[dP].L.F}$PEPTIDE4189,PEPTIDE4189,1:R1-7:R2$$$
PEPTIDE4189{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4189,PEPTIDE4189,1:R1-7:R2$$$
-4.49
56
714.504
4189
null
null
6.29e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.75161389
0.342505861
16.75161389
0.245675664
1.812220469
0.245675664
-7.25572173
-0.342505861
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_612
-6.49
3.258972993
-0.486039757
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-6.49
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'Me_dL', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4189
null
168.54
4.68
573.4150351
0.0
104.7716283
-8.043875323
-2.732845829
-50.11532563
-58.46659251
-49.31049071
-63.60086674
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
3b9d56f0c2bd194aeb180de7a6e83f43c75bb4852d79b407fda8af7f54558f8b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,189
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'dL', 'dP', 'meL', 'F']
43
4190
-5.96
-5.96
Circle
3
-2.17e-16
-2.708133611
-1.59e-16
-2.863712072
-4.68e-17
-1.135355964
1.86e-16
-0.249287767
3.062604399
4301.733481
132.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
131.0
PEPTIDE4190{[dP].[meA].[dL].[dL].[dP].[meL].F}$PEPTIDE4190,PEPTIDE4190,1:R1-7:R2$$$
PEPTIDE4190{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4190,PEPTIDE4190,1:R1-7:R2$$$
-4.49
56
714.504
4190
null
null
8.27e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.6364317
0.342513904
16.6364317
0.245675665
1.832784759
0.245675665
-7.126012679
-0.342513904
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_613
-5.96
3.276193183
-0.507331064
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.96
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N1C
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'dL', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4190
null
168.54
15.06
573.3636775
0.0
104.8987771
-8.171024149
-2.772397078
-50.04949728
-58.60015451
-49.3967006
-63.35601428
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
ddc5794d5b38258c3b713b4593774deefd34e0cd7482c7981c59dc03df44aef0
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,190
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'dL', 'dP', 'Me_dL', 'F']
44
4191
-5.58
-5.58
Circle
9
-2.1e-16
-2.708133611
-1.95e-16
-2.863712072
-6.83e-17
-1.135355964
9.92e-16
-0.249287767
3.062604399
4301.733481
117.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
115.0
PEPTIDE4191{[dP].[meA].L.[dL].[dP].[Me_dL].F}$PEPTIDE4191,PEPTIDE4191,1:R1-7:R2$$$
PEPTIDE4191{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4191,PEPTIDE4191,1:R1-7:R2$$$
-4.49
56
714.504
4191
null
null
1.8e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.6364317
0.342513904
16.6364317
0.245675665
1.832784759
0.245675665
-7.126012679
-0.342513904
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_614
-5.58
3.276193183
-0.507331064
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.58
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'dL', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4191
null
168.54
32.63
573.3636775
0.0
104.8987771
-8.171024149
-2.772397078
-50.04949728
-58.60015451
-49.3967006
-63.35601428
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
4086b088629a07260497c05d7a1a60ad9444057a109d31c2768235f4acab9c9e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,191
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'meL', 'dP', 'dL', 'F']
43
4192
-5.47
-5.47
Circle
7
-2.52e-16
-2.719003505
-2.01e-16
-2.85853353
-1.02e-16
-1.135757679
9.4e-16
-0.249287767
3.057819478
4301.733481
116.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
116.0
PEPTIDE4192{[dP].[meA].[dL].[meL].[dP].[dL].F}$PEPTIDE4192,PEPTIDE4192,1:R1-7:R2$$$
PEPTIDE4192{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4192,PEPTIDE4192,1:R1-7:R2$$$
-4.49
56
714.504
4192
null
null
1.2399999999999999e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.75161389
0.342505861
16.75161389
0.245675664
1.812220469
0.245675664
-7.25572173
-0.342505861
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_615
-5.47
3.258972993
-0.486039757
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.47
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N1C
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'meL', 'dP', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4192
null
168.54
39.94
573.4150351
0.0
104.7716283
-8.043875323
-2.732845829
-50.11532563
-58.46659251
-49.31049071
-63.60086674
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
bd1f077946e226a297c0cbc0e5ef3a5493e245cb3599151d4e63105a037e6dc1
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,192
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'L', 'dP', 'Me_dL', 'F']
44
4193
-5.18
-5.18
Circle
1
-2.35e-16
-2.708133611
-2.21e-16
-2.863712072
-9.22e-17
-1.135355964
1.08e-15
-0.249287767
3.062604399
4301.733481
125.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
123.0
PEPTIDE4193{[dP].[meA].[dL].L.[dP].[Me_dL].F}$PEPTIDE4193,PEPTIDE4193,1:R1-7:R2$$$
PEPTIDE4193{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4193,PEPTIDE4193,1:R1-7:R2$$$
-4.49
56
714.504
4193
null
null
2.4999999999999998e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.6364317
0.342513904
16.6364317
0.245675665
1.832784759
0.245675665
-7.126012679
-0.342513904
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_616
-5.18
3.276193183
-0.507331064
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.18
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'L', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4193
null
168.54
62.63
573.3636775
0.0
104.8987771
-8.171024149
-2.772397078
-50.04949728
-58.60015451
-49.3967006
-63.35601428
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
69cdcf0c2ecad306b14a0c4d54089fd2801b87f1ebad4c1ee301f1851cb90d57
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,193
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'meL', 'dP', 'L', 'F']
42
4194
-6.94
-6.94
Circle
1
-2.32e-16
-2.719003505
-2.26e-16
-2.85853353
-1.15e-16
-1.135757679
9.39e-16
-0.249287767
3.057819478
4301.733481
124.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
126.0
PEPTIDE4194{[dP].[meA].[dL].[meL].[dP].L.F}$PEPTIDE4194,PEPTIDE4194,1:R1-7:R2$$$
PEPTIDE4194{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4194,PEPTIDE4194,1:R1-7:R2$$$
-4.49
56
714.504
4194
null
null
6.29e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.75161389
0.342505861
16.75161389
0.245675664
1.812220469
0.245675664
-7.25572173
-0.342505861
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_617
-6.94
3.258972993
-0.486039757
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-6.94
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'meL', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4194
null
168.54
1.71
573.4150351
0.0
104.7716283
-8.043875323
-2.732845829
-50.11532563
-58.46659251
-49.31049071
-63.60086674
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
5cf992b4e513576d1440216a125758792d7b162048c5c25766a97446ed0d2d4e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,194
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'meL', 'L', 'dP', 'dL', 'F']
42
4195
-5.43
-5.43
Circle
5
-2.06e-16
-2.715714376
-1.8e-16
-2.861153505
-9.17e-17
-1.135673155
7.45e-16
-0.249287767
3.055395428
4301.733481
131.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.267857143
1.892857143
0.69047619
131.0
PEPTIDE4195{[dP].[meA].[meL].L.[dP].[dL].F}$PEPTIDE4195,PEPTIDE4195,1:R1-7:R2$$$
PEPTIDE4195{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4195,PEPTIDE4195,1:R1-7:R2$$$
-4.49
56
714.504
4195
null
null
1.28e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.58956057
0.342504271
16.58956057
0.245675664
1.816727883
0.245675664
-7.186627542
-0.342504271
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_618
-5.43
3.30736323
-0.501581511
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.43
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'meL', 'L', 'dP', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4195
null
168.54
42.99
573.1986351
0.0
104.8301493
-8.10239631
-2.740663969
-50.05392969
-58.49468668
-49.21018774
-63.51025332
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
d40e80d3b661fdc3b384d0579d3e1ef7047edad179e39918c7a32a538729e211
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,195
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'meL', 'dP', 'dL', 'F']
42
4196
-5.78
-5.78
Circle
9
-2.03e-16
-2.719003505
-2.19e-16
-2.85853353
-9.32e-17
-1.135757679
6.15e-16
-0.249287767
3.057819478
4301.733481
116.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
118.0
PEPTIDE4196{[dP].[meA].L.[meL].[dP].[dL].F}$PEPTIDE4196,PEPTIDE4196,1:R1-7:R2$$$
PEPTIDE4196{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4196,PEPTIDE4196,1:R1-7:R2$$$
-4.49
56
714.504
4196
null
null
1.3399999999999999e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.75161389
0.342505861
16.75161389
0.245675664
1.812220469
0.245675664
-7.25572173
-0.342505861
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_619
-5.78
3.258972993
-0.486039757
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.78
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'meL', 'dP', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4196
null
168.54
21.82
573.4150351
0.0
104.7716283
-8.043875323
-2.732845829
-50.11532563
-58.46659251
-49.31049071
-63.60086674
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
eb08d9f7c2c7e8cdfc84557e17c5107ff90e5c3f1b7d827b3f655be4a1a5955f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,196
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'L', 'dP', 'L', 'F']
43
4197
-6.09
-6.09
Circle
5
-2.49e-16
-2.715714376
-1.91e-16
-2.861153505
-8.97e-17
-1.135673155
9.72e-16
-0.249287767
3.055395428
4301.733481
117.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.267857143
1.892857143
0.69047619
116.0
PEPTIDE4197{[dP].[meA].[Me_dL].L.[dP].L.F}$PEPTIDE4197,PEPTIDE4197,1:R1-7:R2$$$
PEPTIDE4197{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4197,PEPTIDE4197,1:R1-7:R2$$$
-4.49
56
714.504
4197
null
null
1.23e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.58956057
0.342504271
16.58956057
0.245675664
1.816727883
0.245675664
-7.186627542
-0.342504271
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_620
-6.09
3.30736323
-0.501581511
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-6.09
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'L', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4197
null
168.54
11.42
573.1986351
0.0
104.8301493
-8.10239631
-2.740663969
-50.05392969
-58.49468668
-49.21018774
-63.51025332
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
bb84f88eebb921d204842e30acd1f9bec885852de47c14b98e59aad8397a451f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,197
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'Me_dL', 'dP', 'L', 'F']
43
4198
-5.72
-5.72
Circle
3
-2.32e-16
-2.719003505
-2.26e-16
-2.85853353
-1.15e-16
-1.135757679
9.39e-16
-0.249287767
3.057819478
4301.733481
120.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
121.0
PEPTIDE4198{[dP].[meA].L.[Me_dL].[dP].L.F}$PEPTIDE4198,PEPTIDE4198,1:R1-7:R2$$$
PEPTIDE4198{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4198,PEPTIDE4198,1:R1-7:R2$$$
-4.49
56
714.504
4198
null
null
6.29e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.75161389
0.342505861
16.75161389
0.245675664
1.812220469
0.245675664
-7.25572173
-0.342505861
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_621
-5.72
3.258972993
-0.486039757
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.72
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'Me_dL', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4198
null
168.54
24.83
573.4150351
0.0
104.7716283
-8.043875323
-2.732845829
-50.11532563
-58.46659251
-49.31049071
-63.60086674
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
79bac5fcda65c7677e5f975d1571116037ab895a48a9f414480c50548db6ffaf
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,198
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'dL', 'dP', 'meL', 'F']
42
4199
-5.35
-5.35
Circle
8
-2.1e-16
-2.708133611
-1.95e-16
-2.863712072
-6.83e-17
-1.135355964
9.92e-16
-0.249287767
3.062604399
4301.733481
118.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
122.0
PEPTIDE4199{[dP].[meA].L.[dL].[dP].[meL].F}$PEPTIDE4199,PEPTIDE4199,1:R1-7:R2$$$
PEPTIDE4199{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4199,PEPTIDE4199,1:R1-7:R2$$$
-4.49
56
714.504
4199
null
null
1.8e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.6364317
0.342513904
16.6364317
0.245675665
1.832784759
0.245675665
-7.126012679
-0.342513904
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_622
-5.35
3.276193183
-0.507331064
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.35
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'dL', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4199
null
168.54
48.45
573.3636775
0.0
104.8987771
-8.171024149
-2.772397078
-50.04949728
-58.60015451
-49.3967006
-63.35601428
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
3eab1ffaab45b29805361d953aeebc284a7e010f098babfa6ce2b3656ecef7dd
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,199
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'L', 'dP', 'Me_dL', 'F']
43
4200
-5.64
-5.64
Circle
7
-2.1e-16
-2.708133611
-1.95e-16
-2.863712072
-6.83e-17
-1.135355964
9.92e-16
-0.249287767
3.062604399
4301.733481
112.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
112.0
PEPTIDE4200{[dP].[meA].L.L.[dP].[Me_dL].F}$PEPTIDE4200,PEPTIDE4200,1:R1-7:R2$$$
PEPTIDE4200{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4200,PEPTIDE4200,1:R1-7:R2$$$
-4.49
56
714.504
4200
null
null
1.8e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.6364317
0.342513904
16.6364317
0.245675665
1.832784759
0.245675665
-7.126012679
-0.342513904
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_623
-5.64
3.276193183
-0.507331064
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.64
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'L', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4200
null
168.54
29.02
573.3636775
0.0
104.8987771
-8.171024149
-2.772397078
-50.04949728
-58.60015451
-49.3967006
-63.35601428
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
094224bea2491d654ca71e8dc69d8096f70324502b87b2559e1801da2e47df44
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,200
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'L', 'dP', 'meL', 'F']
42
4201
-5.0
-5
Circle
8
-2.35e-16
-2.708133611
-2.21e-16
-2.863712072
-9.22e-17
-1.135355964
1.08e-15
-0.249287767
3.062604399
4301.733481
120.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
117.0
PEPTIDE4201{[dP].[meA].[dL].L.[dP].[meL].F}$PEPTIDE4201,PEPTIDE4201,1:R1-7:R2$$$
PEPTIDE4201{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4201,PEPTIDE4201,1:R1-7:R2$$$
-4.49
56
714.504
4201
null
null
2.4999999999999998e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.6364317
0.342513904
16.6364317
0.245675665
1.832784759
0.245675665
-7.126012679
-0.342513904
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_624
-5.0
3.276193183
-0.507331064
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.0
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'L', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4201
null
168.54
77.83
573.3636775
0.0
104.8987771
-8.171024149
-2.772397078
-50.04949728
-58.60015451
-49.3967006
-63.35601428
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
0789f969a654243b2f9317be2b9f75b95e08375ba6756349bb555224efea9303
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,201
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'meL', 'L', 'dP', 'L', 'F']
41
4202
-5.48
-5.48
Circle
8
-2.49e-16
-2.715714376
-1.91e-16
-2.861153505
-8.97e-17
-1.135673155
9.72e-16
-0.249287767
3.055395428
4301.733481
135.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.267857143
1.892857143
0.69047619
104.0
PEPTIDE4202{[dP].[meA].[meL].L.[dP].L.F}$PEPTIDE4202,PEPTIDE4202,1:R1-7:R2$$$
PEPTIDE4202{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4202,PEPTIDE4202,1:R1-7:R2$$$
-4.49
56
714.504
4202
null
null
1.23e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.58956057
0.342504271
16.58956057
0.245675664
1.816727883
0.245675664
-7.186627542
-0.342504271
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_625
-5.48
3.30736323
-0.501581511
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.48
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'meL', 'L', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4202
null
168.54
39.19
573.1986351
0.0
104.8301493
-8.10239631
-2.740663969
-50.05392969
-58.49468668
-49.21018774
-63.51025332
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
906a04b57852a980163f336a58596433c70f4f42fb65cf21f981c77e86a43c5f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,202
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'meL', 'dP', 'L', 'F']
41
4203
-5.73
-5.73
Circle
5
-2.32e-16
-2.719003505
-2.26e-16
-2.85853353
-1.15e-16
-1.135757679
9.39e-16
-0.249287767
3.057819478
4301.733481
138.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
136.0
PEPTIDE4203{[dP].[meA].L.[meL].[dP].L.F}$PEPTIDE4203,PEPTIDE4203,1:R1-7:R2$$$
PEPTIDE4203{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4203,PEPTIDE4203,1:R1-7:R2$$$
-4.49
56
714.504
4203
null
null
6.29e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.75161389
0.342505861
16.75161389
0.245675664
1.812220469
0.245675664
-7.25572173
-0.342505861
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_626
-5.73
3.258972993
-0.486039757
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.73
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'meL', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4203
null
168.54
24.25
573.4150351
0.0
104.7716283
-8.043875323
-2.732845829
-50.11532563
-58.46659251
-49.31049071
-63.60086674
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
1c7fdc67d8284ac045c2cdf2c66a9939d77e4a10b3da0d2112402e301ca7f86f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,203
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'L', 'dP', 'meL', 'F']
41
4204
-5.59
-5.59
Circle
2
-2.1e-16
-2.708133611
-1.95e-16
-2.863712072
-6.83e-17
-1.135355964
9.92e-16
-0.249287767
3.062604399
4301.733481
129.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.677233669
3.677233669
null
null
null
null
298.3540197
24.79690458
33.56176029
0
0
0
0
0
0
0.0
64.42565214
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
131.0
PEPTIDE4204{[dP].[meA].L.L.[dP].[meL].F}$PEPTIDE4204,PEPTIDE4204,1:R1-7:R2$$$
PEPTIDE4204{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4204,PEPTIDE4204,1:R1-7:R2$$$
-4.49
56
714.504
4204
null
null
1.8e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.6364317
0.342513904
16.6364317
0.245675665
1.832784759
0.245675665
-7.126012679
-0.342513904
2.4913
212.5631
780.024
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
17
0
3
3
310
hepta_627
-5.59
3.276193183
-0.507331064
35.52907898
42.12524728
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
101.8562259
16.44910267
null
-5.59
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'L', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
130.0205175
39.93468519
17.68187306
183.1242011
30.21209354
4.235526235
0.0
0
2020_Townsend
4204
null
168.54
31.64
573.3636775
0.0
104.8987771
-8.171024149
-2.772397078
-50.04949728
-58.60015451
-49.3967006
-63.35601428
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
2
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.364593432
null
0b62b272e83f0854c22a0f3c74797f83350243a047105d14af4a94bd3d09e5f9
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,204
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'Me_dL', 'dP', 'Me_dL', 'F']
48
4205
-5.71
-5.71
Circle
9
-2.49e-16
-2.720325117
-1.93e-16
-2.853165073
-4.04e-17
-1.135757901
8.84e-16
-0.249287767
3.129615441
4410.008052
92.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.701754386
1.228070175
1.807017544
0.697674419
92.0
PEPTIDE4205{[dP].[meA].[dL].[Me_dL].[dP].[Me_dL].F}$PEPTIDE4205,PEPTIDE4205,1:R1-7:R2$$$
PEPTIDE4205{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4205,PEPTIDE4205,1:R1-7:R2$$$
-4.49
57
726.515
4205
null
null
2.1899999999999997e+40
9.28286508
19.77991863
10.92394938
433.1954521
null
16.9218945
0.342505861
16.9218945
0.245675665
1.850673178
0.245675665
-7.354972368
-0.342505861
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_628
-5.71
3.145274896
-0.357719607
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.71
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'Me_dL', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4205
null
159.75
25.33
593.7943839
0.0
103.0909313
-5.487192684
-2.797708869
-51.07012667
-59.59170631
-50.15167034
-70.62024359
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
3fb25032f399033b78faef245103c259076101ee9c6d2b1b0e44823b292af5a3
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,205
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'dL', 'dP', 'Me_dL', 'F']
48
4206
-5.55
-5.55
Circle
3
-2.83e-16
-2.716574651
-1.86e-16
-2.854861895
-9.99e-17
-1.135676657
9.12e-16
-0.249287767
3.125736617
4410.008052
101.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
100.0
PEPTIDE4206{[dP].[meA].[Me_dL].[dL].[dP].[Me_dL].F}$PEPTIDE4206,PEPTIDE4206,1:R1-7:R2$$$
PEPTIDE4206{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4206,PEPTIDE4206,1:R1-7:R2$$$
-4.49
57
726.515
4206
null
null
1.67e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_629
-5.55
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.55
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'dL', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4206
null
159.75
34.4
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
dcd02a64be3e620b86e1e9592a0c1a1b44cc99dd5f9e1498ea2f4bae8f76b926
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,207
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'Me_dL', 'dP', 'meL', 'F']
46
4208
-5.07
-5.07
Circle
2
-2.77e-16
-2.720325117
-2.34e-16
-2.853165073
-6.45e-17
-1.135757901
6.16e-16
-0.249287767
3.129615441
4410.008052
93.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.701754386
1.228070175
1.807017544
0.697674419
94.0
PEPTIDE4208{[dP].[meA].[dL].[Me_dL].[dP].[meL].F}$PEPTIDE4208,PEPTIDE4208,1:R1-7:R2$$$
PEPTIDE4208{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4208,PEPTIDE4208,1:R1-7:R2$$$
-4.49
57
726.515
4208
null
null
5.96e+40
9.28286508
19.77991863
10.92394938
433.1954521
null
16.9218945
0.342505861
16.9218945
0.245675665
1.850673178
0.245675665
-7.354972368
-0.342505861
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_631
-5.07
3.145274896
-0.357719607
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.07
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'Me_dL', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4208
null
159.75
72.11
593.7943839
0.0
103.0909313
-5.487192684
-2.797708869
-51.07012667
-59.59170631
-50.15167034
-70.62024359
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
8d9ece1c514a3ecab38adf053949c26b6a01616635f4046d311f1d95fa1f3ee6
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,208
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'dL', 'dP', 'meL', 'F']
46
4209
-5.52
-5.52
Circle
7
-2.75e-16
-2.716574651
-2.21e-16
-2.854861895
-5.55e-17
-1.135676657
6.04e-16
-0.249287767
3.125736617
4410.008052
114.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
112.0
PEPTIDE4209{[dP].[meA].[Me_dL].[dL].[dP].[meL].F}$PEPTIDE4209,PEPTIDE4209,1:R1-7:R2$$$
PEPTIDE4209{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4209,PEPTIDE4209,1:R1-7:R2$$$
-4.49
57
726.515
4209
null
null
1.19e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_632
-5.52
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.52
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'dL', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4209
null
159.75
36.28
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
81474ad7ba95bb047dfcb6798a1e8a892c5a5e5a43cd224fb3280fad232e961b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,209
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'meL', 'Me_dL', 'dP', 'dL', 'F']
46
4210
-6.4
-6.4
Circle
3
-2.41e-16
-2.727990743
-2.01e-16
-2.85791785
-2.27e-17
-1.13601255
7.25e-16
-0.249287767
3.124301462
4410.008052
94.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.245614035
1.842105263
0.697674419
95.0
PEPTIDE4210{[dP].[meA].[meL].[Me_dL].[dP].[dL].F}$PEPTIDE4210,PEPTIDE4210,1:R1-7:R2$$$
PEPTIDE4210{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4210,PEPTIDE4210,1:R1-7:R2$$$
-4.49
57
726.515
4210
null
null
1.2999999999999998e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.95604453
0.342504271
16.95604453
0.245675664
1.834616302
0.245675664
-7.402252542
-0.342504271
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_633
-6.4
3.077096353
-0.391610441
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-6.4
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'meL', 'Me_dL', 'dP', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4210
null
159.75
5.75
593.7477844
0.0
102.9273382
-5.323599567
-2.76597576
-51.07455907
-59.48623847
-49.96515748
-70.89292557
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
4d2d866a849c851afd35c198f4e9f17e56e0bdfa11249f889c763d8ea5c3eee3
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,210
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'meL', 'dP', 'dL', 'F']
46
4211
-5.4
-5.4
Circle
3
-2.08e-16
-2.727990743
-2.11e-16
-2.85791785
-7.26e-17
-1.13601255
8e-16
-0.249287767
3.124301462
4410.008052
105.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.245614035
1.842105263
0.697674419
110.0
PEPTIDE4211{[dP].[meA].[Me_dL].[meL].[dP].[dL].F}$PEPTIDE4211,PEPTIDE4211,1:R1-7:R2$$$
PEPTIDE4211{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4211,PEPTIDE4211,1:R1-7:R2$$$
-4.49
57
726.515
4211
null
null
1.01e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.95604453
0.342504271
16.95604453
0.245675664
1.834616302
0.245675664
-7.402252542
-0.342504271
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_634
-5.4
3.077096353
-0.391610441
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.4
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'meL', 'dP', 'dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4211
null
159.75
45.0
593.7477844
0.0
102.9273382
-5.323599567
-2.76597576
-51.07455907
-59.48623847
-49.96515748
-70.89292557
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
52ddc03a5ba00c31b632b47473af3c508709107c854cd41a95306a290909b6f6
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,211
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'L', 'dP', 'Me_dL', 'F']
47
4212
-5.04
-5.04
Circle
7
-2.83e-16
-2.716574651
-1.86e-16
-2.854861895
-9.99e-17
-1.135676657
9.12e-16
-0.249287767
3.125736617
4410.008052
101.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
102.0
PEPTIDE4212{[dP].[meA].[Me_dL].L.[dP].[Me_dL].F}$PEPTIDE4212,PEPTIDE4212,1:R1-7:R2$$$
PEPTIDE4212{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4212,PEPTIDE4212,1:R1-7:R2$$$
-4.49
57
726.515
4212
null
null
1.67e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_635
-5.04
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.04
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'L', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4212
null
159.75
74.59
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
cab6efa0bba1e3aa3511051531aed96aeb3668fe72154dc1e5b182d97866d966
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,212
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'dL', 'dP', 'Bn_Gly', 'F']
46
4213
-6.18
-6.18
Circle
6
-1.86e-16
-2.704304615
-1.08e-16
-2.863034194
9.01e-17
-1.135355245
2.15e-15
-0.249287767
2.543713464
4475.324525
132.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.867169
3.867169
null
null
null
null
308.1588979
28.90918025
33.56176029
0
0
0
0
0
0
0.0
54.83034225
799.4632473
0.74137931
1.293103448
1.879310345
0.568181818
133.0
PEPTIDE4213{[dP].[meA].[dL].[dL].[dP].[Bn_Gly].F}$PEPTIDE4213,PEPTIDE4213,1:R1-7:R2$$$
PEPTIDE4213{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4213,PEPTIDE4213,1:R1-7:R2$$$
-5.27
58
738.526
4213
null
null
7.86e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.64769552
0.342513904
16.64769552
0.245675462
1.73644348
0.245675462
-6.944071508
-0.342513904
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_636
-6.18
4.168443784
1.004235163
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
33.91203081
null
-6.18
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'dL', 'dP', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4213
null
168.54
9.42
540.5005027
0.0
104.9568193
-7.717586243
-5.214768552
-42.32806083
-60.21899597
-41.67244523
-57.38879849
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
8b2fb2006fae7ee8945c63e9e580e359624c1958bfe4774f957231ad44900306
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,215
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'meL', 'dP', 'L', 'F']
45
4216
-5.81
-5.81
Circle
4
-2.44e-16
-2.727990743
-2.05e-16
-2.85791785
-6.49e-17
-1.13601255
7.36e-16
-0.249287767
3.124301462
4410.008052
104.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.245614035
1.842105263
0.697674419
103.0
PEPTIDE4216{[dP].[meA].[Me_dL].[meL].[dP].L.F}$PEPTIDE4216,PEPTIDE4216,1:R1-7:R2$$$
PEPTIDE4216{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4216,PEPTIDE4216,1:R1-7:R2$$$
-4.49
57
726.515
4216
null
null
1.95e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.95604453
0.342504271
16.95604453
0.245675664
1.834616302
0.245675664
-7.402252542
-0.342504271
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_639
-5.81
3.077096353
-0.391610441
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.81
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'meL', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4216
null
159.75
20.76
593.7477844
0.0
102.9273382
-5.323599567
-2.76597576
-51.07455907
-59.48623847
-49.96515748
-70.89292557
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
7cd45fac59c5ecb036b083abbc996149112638ac28ffbb8c6159a260752268e9
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,216
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'meL', 'dL', 'dP', 'meL', 'F']
44
4217
-5.3
-5.3
Circle
6
-3.1e-16
-2.716574651
-2.07e-16
-2.854861895
-6.6e-17
-1.135676657
4.9e-16
-0.249287767
3.125736617
4410.008052
125.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
126.0
PEPTIDE4217{[dP].[meA].[meL].[dL].[dP].[meL].F}$PEPTIDE4217,PEPTIDE4217,1:R1-7:R2$$$
PEPTIDE4217{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4217,PEPTIDE4217,1:R1-7:R2$$$
-4.49
57
726.515
4217
null
null
2.04e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_640
-5.3
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.3
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'meL', 'dL', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4217
null
159.75
52.36
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
286007055d52010ab7c5d439a8b80da8e2bfd6997c5d0e2e2c3d76e3951e39f2
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,217
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'meL', 'L', 'dP', 'Me_dL', 'F']
45
4218
-5.59
-5.59
Circle
2
-2.83e-16
-2.716574651
-1.86e-16
-2.854861895
-9.99e-17
-1.135676657
9.12e-16
-0.249287767
3.125736617
4410.008052
103.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
101.0
PEPTIDE4218{[dP].[meA].[meL].L.[dP].[Me_dL].F}$PEPTIDE4218,PEPTIDE4218,1:R1-7:R2$$$
PEPTIDE4218{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4218,PEPTIDE4218,1:R1-7:R2$$$
-4.49
57
726.515
4218
null
null
1.67e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_641
-5.59
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.59
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'meL', 'L', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4218
null
159.75
31.79
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
058eb08ba6f188818479b5050c9aab2f4d535e2ca161018bb6dc7c3f09953df2
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,218
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'meL', 'dP', 'meL', 'F']
44
4219
-5.05
-5.05
Circle
4
-2.49e-16
-2.720325117
-2.18e-16
-2.853165073
-4.66e-17
-1.135757901
8.12e-16
-0.249287767
3.129615441
4410.008052
96.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.701754386
1.228070175
1.807017544
0.697674419
93.0
PEPTIDE4219{[dP].[meA].[dL].[meL].[dP].[meL].F}$PEPTIDE4219,PEPTIDE4219,1:R1-7:R2$$$
PEPTIDE4219{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4219,PEPTIDE4219,1:R1-7:R2$$$
-4.49
57
726.515
4219
null
null
1.4999999999999999e+40
9.28286508
19.77991863
10.92394938
433.1954521
null
16.9218945
0.342505861
16.9218945
0.245675665
1.850673178
0.245675665
-7.354972368
-0.342505861
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_642
-5.05
3.145274896
-0.357719607
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.05
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N1C
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'meL', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4219
null
159.75
73.44
593.7943839
0.0
103.0909313
-5.487192684
-2.797708869
-51.07012667
-59.59170631
-50.15167034
-70.62024359
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
35a506592406ae6fdbeba5a6aa85f0a6a91001d51ba9fa67086260cdc1b55f84
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,219
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'Me_dL', 'dP', 'meL', 'F']
45
4220
-5.67
-5.67
Circle
8
-2.49e-16
-2.720325117
-1.93e-16
-2.853165073
-4.04e-17
-1.135757901
8.84e-16
-0.249287767
3.129615441
4410.008052
90.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.701754386
1.228070175
1.807017544
0.697674419
90.0
PEPTIDE4220{[dP].[meA].L.[Me_dL].[dP].[meL].F}$PEPTIDE4220,PEPTIDE4220,1:R1-7:R2$$$
PEPTIDE4220{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4220,PEPTIDE4220,1:R1-7:R2$$$
-4.49
57
726.515
4220
null
null
2.1899999999999997e+40
9.28286508
19.77991863
10.92394938
433.1954521
null
16.9218945
0.342505861
16.9218945
0.245675665
1.850673178
0.245675665
-7.354972368
-0.342505861
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_643
-5.67
3.145274896
-0.357719607
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.67
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'Me_dL', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4220
null
159.75
27.14
593.7943839
0.0
103.0909313
-5.487192684
-2.797708869
-51.07012667
-59.59170631
-50.15167034
-70.62024359
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
3cd81a5f3f0e8a94ddaa8003c10706f6d558c0abb52e93e1658c15c5d6dd8df8
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,220
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'meL', 'dP', 'Me_dL', 'F']
45
4221
-5.27
-5.27
Circle
5
-2.49e-16
-2.720325117
-1.93e-16
-2.853165073
-4.04e-17
-1.135757901
8.84e-16
-0.249287767
3.129615441
4410.008052
95.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
26.12657961
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.701754386
1.228070175
1.807017544
0.697674419
94.0
PEPTIDE4221{[dP].[meA].L.[meL].[dP].[Me_dL].F}$PEPTIDE4221,PEPTIDE4221,1:R1-7:R2$$$
PEPTIDE4221{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4221,PEPTIDE4221,1:R1-7:R2$$$
-4.49
57
726.515
4221
null
null
2.1899999999999997e+40
9.28286508
19.77991863
10.92394938
433.1954521
null
16.9218945
0.342505861
16.9218945
0.245675665
1.850673178
0.245675665
-7.354972368
-0.342505861
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_644
-5.27
3.145274896
-0.357719607
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.27
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'meL', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4221
null
159.75
55.52
593.7943839
0.0
103.0909313
-5.487192684
-2.797708869
-51.07012667
-59.59170631
-50.15167034
-70.62024359
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
a87909cf2d2450a63d5c41d4b73a6c9afd869ca9f9be2fc2962c9ecd7f506317
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,221
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'L', 'dP', 'meL', 'F']
45
4222
-4.97
-4.97
Circle
3
-2.83e-16
-2.716574651
-1.86e-16
-2.854861895
-9.99e-17
-1.135676657
9.12e-16
-0.249287767
3.125736617
4410.008052
110.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
108.0
PEPTIDE4222{[dP].[meA].[Me_dL].L.[dP].[meL].F}$PEPTIDE4222,PEPTIDE4222,1:R1-7:R2$$$
PEPTIDE4222{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4222,PEPTIDE4222,1:R1-7:R2$$$
-4.49
57
726.515
4222
null
null
1.67e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_645
-4.97
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-4.97
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'L', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4222
null
159.75
79.68
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
c4f8dce758345d3825d04e82351544d5c4df6fcfd91ef600d8ee13d1474ce2c7
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,222
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'Bn_Gly', 'dP', 'L', 'F']
45
4223
-10.0
-10
Circle
6
-1.77e-16
-2.690424458
-1.01e-16
-2.855956439
4.18e-17
-1.134690049
2.48e-15
-0.249287762
2.536549646
4475.324525
140.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.839218151
3.839218151
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
308.1588979
26.16766313
33.56176029
0
0
0
0
0
0
0.0
57.57185936
799.4632473
0.74137931
1.327586207
1.965517241
0.568181818
139.0
PEPTIDE4223{[dP].[meA].[dL].[Bn_Gly].[dP].L.F}$PEPTIDE4223,PEPTIDE4223,1:R1-7:R2$$$
PEPTIDE4223{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4223,PEPTIDE4223,1:R1-7:R2$$$
-5.27
58
738.526
4223
null
null
8.439999999999999e+37
10.18048434
19.93008749
11.01358637
427.8460979
null
16.65500838
0.342505615
16.65500838
0.245675664
1.770507708
0.245675664
-6.859244818
-0.342505615
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_646
-10.0
4.283547204
0.884004868
35.52907898
42.60421449
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
27.41517112
null
-10.0
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CN(Cc2ccccc2)C(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'Bn_Gly', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4223
null
168.54
0.0
540.6311932
0.0
104.8751169
-7.635883863
-5.352869605
-42.20457835
-60.51478586
-41.49466658
-57.38685921
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
01605714e6b5a56f8b551b93421f8a53f444a0f40ef5bf62939f5a270a22ea15
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,223
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Bn_Gly', 'dL', 'dP', 'L', 'F']
45
4224
-6.35
-6.35
Circle
8
-1.81e-16
-2.6899625
-9.35e-17
-2.858649004
3.07e-17
-1.134655903
1.98e-15
-0.249287762
2.537078664
4475.324525
121.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.867169
3.867169
null
null
null
null
308.1588979
26.16766313
33.56176029
0
0
0
0
0
0
0.0
57.57185936
799.4632473
0.74137931
1.310344828
1.931034483
0.568181818
120.0
PEPTIDE4224{[dP].[meA].[Bn_Gly].[dL].[dP].L.F}$PEPTIDE4224,PEPTIDE4224,1:R1-7:R2$$$
PEPTIDE4224{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4224,PEPTIDE4224,1:R1-7:R2$$$
-5.27
58
738.526
4224
null
null
4.22e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.59466958
0.342747537
16.59466958
0.245675664
1.749911147
0.245675664
-6.787468991
-0.342747537
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_647
-6.35
4.349235149
0.998483616
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
33.91203081
null
-6.35
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'meA', 'Bn_Gly', 'dL', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.3173, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4224
null
168.54
6.42
540.504521
0.0
104.8926382
-7.653405192
-5.306725478
-42.18297002
-60.43761447
-41.632444
-57.26733346
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
365202916396762fad911c1bd104421c00e5bc72631b960c65d73195b4560482
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,224
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'dL', 'dP', 'Bn_Gly', 'F']
45
4225
-5.68
-5.68
Circle
4
-1.86e-16
-2.704304615
-1.08e-16
-2.863034194
9.01e-17
-1.135355245
2.15e-15
-0.249287767
2.543713464
4475.324525
121.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.867169
3.867169
null
null
null
null
308.1588979
28.90918025
33.56176029
0
0
0
0
0
0
0.0
54.83034225
799.4632473
0.74137931
1.293103448
1.879310345
0.568181818
117.0
PEPTIDE4225{[dP].[meA].L.[dL].[dP].[Bn_Gly].F}$PEPTIDE4225,PEPTIDE4225,1:R1-7:R2$$$
PEPTIDE4225{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4225,PEPTIDE4225,1:R1-7:R2$$$
-5.27
58
738.526
4225
null
null
7.86e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.64769552
0.342513904
16.64769552
0.245675462
1.73644348
0.245675462
-6.944071508
-0.342513904
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_648
-5.68
4.168443784
1.004235163
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
33.91203081
null
-5.68
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'dL', 'dP', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4225
null
168.54
26.92
540.5005027
0.0
104.9568193
-7.717586243
-5.214768552
-42.32806083
-60.21899597
-41.67244523
-57.38879849
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
850cc9d827d8358d44491984e0a9af351630138ab6357c6e314c212baa376be4
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,225
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'dL', 'L', 'dP', 'Bn_Gly', 'F']
45
4226
-5.46
-5.46
Circle
8
-1.16e-16
-2.704304615
-8.21e-17
-2.863034194
9.42e-17
-1.135355245
1.98e-15
-0.249287767
2.543713464
4475.324525
150.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.867169
3.867169
null
null
null
null
308.1588979
28.90918025
33.56176029
0
0
0
0
0
0
0.0
54.83034225
799.4632473
0.74137931
1.293103448
1.879310345
0.568181818
148.0
PEPTIDE4226{[dP].[meA].[dL].L.[dP].[Bn_Gly].F}$PEPTIDE4226,PEPTIDE4226,1:R1-7:R2$$$
PEPTIDE4226{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4226,PEPTIDE4226,1:R1-7:R2$$$
-5.27
58
738.526
4226
null
null
1.37e+38
10.18048434
19.93008749
11.01358637
427.8460979
null
16.64769552
0.342513904
16.64769552
0.245675462
1.73644348
0.245675462
-6.944071508
-0.342513904
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_649
-5.46
4.168443784
1.004235163
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
33.91203081
null
-5.46
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H]2CCCN2C1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'meA', 'dL', 'L', 'dP', 'Bn_Gly', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.3173, 1.0159999999999998]
[20.31, 20.31, 29.1, 29.1, 20.31, 20.31, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4226
null
168.54
40.38
540.5005027
0.0
104.9568193
-7.717586243
-5.214768552
-42.32806083
-60.21899597
-41.67244523
-57.38879849
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
40df4c5e3d63b2fe458d813828c26db52a333cca74baf2063f88944a3b34f06b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,226
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'meL', 'meL', 'dP', 'L', 'F']
43
4227
-5.7
-5.7
Circle
5
-2.44e-16
-2.727990743
-2.05e-16
-2.85791785
-6.49e-17
-1.13601255
7.36e-16
-0.249287767
3.124301462
4410.008052
95.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.245614035
1.842105263
0.697674419
107.0
PEPTIDE4227{[dP].[meA].[meL].[meL].[dP].L.F}$PEPTIDE4227,PEPTIDE4227,1:R1-7:R2$$$
PEPTIDE4227{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4227,PEPTIDE4227,1:R1-7:R2$$$
-4.49
57
726.515
4227
null
null
1.95e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.95604453
0.342504271
16.95604453
0.245675664
1.834616302
0.245675664
-7.402252542
-0.342504271
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_650
-5.7
3.077096353
-0.391610441
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-5.7
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'meL', 'meL', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 29.1, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4227
null
159.75
25.78
593.7477844
0.0
102.9273382
-5.323599567
-2.76597576
-51.07455907
-59.48623847
-49.96515748
-70.89292557
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
7fe7a3f832e91f5c000a50cf30bd29382e1ce598afcc9d11c45023827d53df67
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,228
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'meL', 'L', 'dP', 'meL', 'F']
43
4229
-4.98
-4.98
Circle
5
-2.83e-16
-2.716574651
-1.86e-16
-2.854861895
-9.99e-17
-1.135676657
9.12e-16
-0.249287767
3.125736617
4410.008052
91.0
null
null
100.5470054
94.4882332
27.4882332
53.18973979
47.57182536
14.17739817
9.825580114
9.825580114
6.149038106
6.149038106
3.805957141
3.805957141
null
null
null
null
304.9199429
23.3850625
33.56176029
0
0
0
0
0
0
0.0
68.53792781
793.5101975
0.701754386
1.175438596
1.684210526
0.697674419
92.0
PEPTIDE4229{[dP].[meA].[meL].L.[dP].[meL].F}$PEPTIDE4229,PEPTIDE4229,1:R1-7:R2$$$
PEPTIDE4229{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4229,PEPTIDE4229,1:R1-7:R2$$$
-4.49
57
726.515
4229
null
null
1.67e+41
9.28286508
19.77991863
10.92394938
433.1954521
null
16.73789566
0.342496078
16.73789566
0.245675665
1.855180592
0.245675665
-7.242102749
-0.342496078
2.8335
217.1904
794.051
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
18
0
3
3
316
hepta_652
-4.98
3.179465728
-0.378491599
35.11917536
42.12524728
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
112.9443284
16.44910267
null
-4.98
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O
125.4847506
41.35025811
0.0
35.11917536
17.68187306
141.0718913
33.92120007
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'meL', 'L', 'dP', 'meL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 29.1, 20.31, 20.31, 29.1]
10.61962671
0.0
0.0
0.0
141.8962541
39.93468519
17.68187306
187.2364768
30.21209354
2.823684157
0.0
0
2020_Townsend
4229
null
159.75
79.5
593.5266292
0.0
103.1914705
-5.587731864
-2.805527009
-51.00873072
-59.61980048
-50.05136737
-70.47827553
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
5
2
0
0
3
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.409836501
null
ef8bb400fcb12250dce28c75049f9dda953f109dd0d68f34eb4895e8c4455f97
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,229
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'L', 'Bn_Gly', 'dP', 'L', 'F']
44
4230
-6.41
-6.41
Circle
3
-1.77e-16
-2.690424458
-1.01e-16
-2.855956439
4.18e-17
-1.134690049
2.48e-15
-0.249287762
2.536549646
4475.324525
114.0
null
null
95.511107
88.9882332
27.9882332
51.65384141
45.04543216
14.70379138
9.976973316
9.976973316
6.197158425
6.197158425
3.839218151
3.839218151
null
null
null
null
308.1588979
26.16766313
33.56176029
0
0
0
0
0
0
0.0
57.57185936
799.4632473
0.74137931
1.327586207
1.965517241
0.568181818
102.0
PEPTIDE4230{[dP].[meA].L.[Bn_Gly].[dP].L.F}$PEPTIDE4230,PEPTIDE4230,1:R1-7:R2$$$
PEPTIDE4230{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4230,PEPTIDE4230,1:R1-7:R2$$$
-5.27
58
738.526
4230
null
null
8.439999999999999e+37
10.18048434
19.93008749
11.01358637
427.8460979
null
16.65500838
0.342505615
16.65500838
0.245675664
1.770507708
0.245675664
-6.859244818
-0.342505615
2.647
218.4091
800.014
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
14
0
3
3
314
hepta_653
-6.41
4.283547204
0.884004868
35.52907898
42.60421449
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
84.92815599
27.41517112
null
-6.41
null
null
null
null
null
null
null
null
null
null
5
CC(C)C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)CN(Cc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3012828
41.35025811
0.0
35.52907898
11.78791537
121.4741494
26.46640595
71.55109006
0
0.0
null
null
null
null
['dP', 'meA', 'L', 'Bn_Gly', 'dP', 'L', 'F']
[0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 20.31, 29.1, 20.31, 20.31, 29.1, 29.1]
15.92944006
0.0
0.0
0.0
123.5236578
46.43154487
11.78791537
163.1279092
60.42418708
4.235526235
0.0
0
2020_Townsend
4230
null
168.54
5.64
540.6311932
0.0
104.8751169
-7.635883863
-5.352869605
-42.20457835
-60.51478586
-41.49466658
-57.38685921
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
4
3
0
0
1
0
0
0
0
0
0
0
7
0
0
0
0
0
0
2
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.369231058
null
e530386ddcba54c3bbd1891f7b5f3bc43ba1c35d52b2653c127b837c10dc6e8d
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
4,230
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'meA', 'Me_dL', 'Me_dL', 'dP', 'Me_dL', 'F']
51
4231
-6.03
-6.03
Circle
6
-2.56e-16
-2.728611251
-1.92e-16
-2.848007412
-1.05e-16
-1.136012854
7.12e-16
-0.249287767
3.194145574
4518.643012
92.0
null
null
103.0470054
96.9882332
27.9882332
54.40106466
48.84821857
14.40100497
10.04918691
10.04918691
6.362386751
6.362386751
3.934680614
3.934680614
null
null
null
null
311.4858662
27.45625465
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.689655172
1.172413793
1.706896552
0.704545455
90.0
PEPTIDE4231{[dP].[meA].[Me_dL].[Me_dL].[dP].[Me_dL].F}$PEPTIDE4231,PEPTIDE4231,1:R1-7:R2$$$
PEPTIDE4231{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE4231,PEPTIDE4231,1:R1-7:R2$$$
-4.49
58
738.526
4231
null
null
2.91e+42
9.366176303
19.97782252
10.56862906
442.5222501
null
17.05456233
0.342180206
17.05456233
0.245675665
1.873069011
0.245675665
-7.480397538
-0.342180206
3.1757
221.8177
808.078
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
19
0
3
3
322
hepta_654
-6.03
2.967921041
-0.217752521
34.70927174
42.12524728
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
124.032431
16.44910267
null
-6.03
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)N1C
128.1851842
41.35025811
0.0
34.70927174
17.68187306
141.0718913
40.89702697
35.77554503
0
0.0
null
null
null
null
['dP', 'meA', 'Me_dL', 'Me_dL', 'dP', 'Me_dL', 'F']
[0.2794999999999998, 0.1353999999999999, 1.1616, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 20.31, 20.31, 20.31, 20.31, 20.31, 29.1]
5.309813353
0.0
0.0
0.0
153.7719907
39.93468519
17.68187306
191.3487524
30.21209354
1.411842078
0.0
0
2020_Townsend
4231
null
150.96
13.08
614.2081859
0.0
101.1836246
-2.703900398
-2.8308388
-52.0293601
-60.61135228
-50.80633711
-77.99335518
0.0
1.0
2020
null
null
null
null
null
null
0
0
0
0
0
0
0
0
0
0
7
7
0
0
0
6
1
0
0
4
0
0
0
0
0
0
0
7
0
0
0
0
0
0
1
0
2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.424272131
null