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320
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87 values
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6e56bc4417b548c15f020f4853fed31b2533910aa3db1f768261160c233c1f15
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,577
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'L', 'P', 'dL', 'F']
43
3578
-6.26
-6.26
Circle
6
-2.48e-16
-2.703951957
-2.21e-16
-2.863922302
-1.72e-16
-1.13535425
5.26e-16
-0.249287767
3.012574928
4308.753031
122.0
null
null
98.04700538
91.9882332
26.9882332
52.01709006
46.26903896
13.98018458
9.378366518
9.378366518
5.67130978
5.67130978
3.604411895
3.604411895
null
null
null
null
298.1610213
23.42614602
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.732142857
1.25
1.857142857
0.69047619
122.0
PEPTIDE3578{[dP].[Pr_Gly].[dL].L.P.[dL].F}$PEPTIDE3578,PEPTIDE3578,1:R1-7:R2$$$
PEPTIDE3578{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3578,PEPTIDE3578,1:R1-7:R2$$$
-4.49
56
714.504
3578
null
null
1.6399999999999998e+39
9.201058546
20.60856476
12.0059032
423.7167393
null
16.60877009
0.342755981
16.60877009
0.245675664
1.819643841
0.245675664
-6.991576729
-0.342755981
2.5408
212.5748
780.024
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
17
0
3
3
310
hepta_1
-6.26
3.248413466
-0.42645757
35.93898261
36.10735481
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
91.65991465
24.31672091
null
-6.26
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=O)N[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]2C1=O
122.8254005
41.35025811
0.0
35.93898261
17.68187306
141.4269237
25.98743874
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'L', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
188.1263674
30.21209354
5.647368313
0.0
0
2020_Townsend
3578
null
177.33
7.93
571.1860805
0.0
106.6711
-10.71774692
-2.745986747
-49.47624822
-51.35104537
-54.63076214
-63.01872448
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
0
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
0.282224884
null
6930c0fe91232d5aa3419c3d372f6012670da0e6d8e2a39514fdb29d42832ece
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,578
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'dL', 'P', 'dL', 'F']
43
3579
-6.21
-6.21
Circle
1
-2.48e-16
-2.703951957
-2.21e-16
-2.863922302
-1.72e-16
-1.13535425
5.26e-16
-0.249287767
3.012574928
4308.753031
133.0
null
null
98.04700538
91.9882332
26.9882332
52.01709006
46.26903896
13.98018458
9.378366518
9.378366518
5.67130978
5.67130978
3.604411895
3.604411895
null
null
null
null
298.1610213
23.42614602
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.732142857
1.25
1.857142857
0.69047619
136.0
PEPTIDE3579{[dP].[Pr_Gly].L.[dL].P.[dL].F}$PEPTIDE3579,PEPTIDE3579,1:R1-7:R2$$$
PEPTIDE3579{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3579,PEPTIDE3579,1:R1-7:R2$$$
-4.49
56
714.504
3579
null
null
1.6399999999999998e+39
9.201058546
20.60856476
12.0059032
423.7167393
null
16.60877009
0.342755981
16.60877009
0.245675664
1.819643841
0.245675664
-6.991576729
-0.342755981
2.5408
212.5748
780.024
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
17
0
3
3
310
hepta_2
-6.21
3.248413466
-0.42645757
35.93898261
36.10735481
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
91.65991465
24.31672091
null
-6.21
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N[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]2C1=O
122.8254005
41.35025811
0.0
35.93898261
17.68187306
141.4269237
25.98743874
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'dL', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
188.1263674
30.21209354
5.647368313
0.0
0
2020_Townsend
3579
null
177.33
8.77
571.1860805
0.0
106.6711
-10.71774692
-2.745986747
-49.47624822
-51.35104537
-54.63076214
-63.01872448
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
0
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
0.282224884
null
8e538ebe408e42020275a95d32744f966adf3faf10633ae70fa1f21f69d5f1ee
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,579
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'L', 'P', 'L', 'F']
42
3580
-6.05
-6.05
Circle
5
-2.48e-16
-2.703951957
-2.21e-16
-2.863922302
-1.72e-16
-1.13535425
5.26e-16
-0.249287767
3.012574928
4308.753031
133.0
null
null
98.04700538
91.9882332
26.9882332
52.01709006
46.26903896
13.98018458
9.378366518
9.378366518
5.67130978
5.67130978
3.604411895
3.604411895
null
null
null
null
298.1610213
23.42614602
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.732142857
1.25
1.857142857
0.69047619
135.0
PEPTIDE3580{[dP].[Pr_Gly].[dL].L.P.L.F}$PEPTIDE3580,PEPTIDE3580,1:R1-7:R2$$$
PEPTIDE3580{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3580,PEPTIDE3580,1:R1-7:R2$$$
-4.49
56
714.504
3580
null
null
1.6399999999999998e+39
9.201058546
20.60856476
12.0059032
423.7167393
null
16.60877009
0.342755981
16.60877009
0.245675664
1.819643841
0.245675664
-6.991576729
-0.342755981
2.5408
212.5748
780.024
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
17
0
3
3
310
hepta_3
-6.05
3.248413466
-0.42645757
35.93898261
36.10735481
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
91.65991465
24.31672091
null
-6.05
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=O)N[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]2C1=O
122.8254005
41.35025811
0.0
35.93898261
17.68187306
141.4269237
25.98743874
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'L', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
188.1263674
30.21209354
5.647368313
0.0
0
2020_Townsend
3580
null
177.33
12.59
571.1860805
0.0
106.6711
-10.71774692
-2.745986747
-49.47624822
-51.35104537
-54.63076214
-63.01872448
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
0
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
0.282224884
null
40b7247e453e4e39c8347afe1441906e42e31a71c5cfc253daf0e3a67f18a3f0
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,580
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'L', 'P', 'dL', 'F']
42
3581
-6.09
-6.09
Circle
7
-2.48e-16
-2.703951957
-2.21e-16
-2.863922302
-1.72e-16
-1.13535425
5.26e-16
-0.249287767
3.012574928
4308.753031
137.0
null
null
98.04700538
91.9882332
26.9882332
52.01709006
46.26903896
13.98018458
9.378366518
9.378366518
5.67130978
5.67130978
3.604411895
3.604411895
null
null
null
null
298.1610213
23.42614602
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.732142857
1.25
1.857142857
0.69047619
137.0
PEPTIDE3581{[dP].[Pr_Gly].L.L.P.[dL].F}$PEPTIDE3581,PEPTIDE3581,1:R1-7:R2$$$
PEPTIDE3581{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3581,PEPTIDE3581,1:R1-7:R2$$$
-4.49
56
714.504
3581
null
null
1.6399999999999998e+39
9.201058546
20.60856476
12.0059032
423.7167393
null
16.60877009
0.342755981
16.60877009
0.245675664
1.819643841
0.245675664
-6.991576729
-0.342755981
2.5408
212.5748
780.024
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
17
0
3
3
310
hepta_4
-6.09
3.248413466
-0.42645757
35.93898261
36.10735481
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
91.65991465
24.31672091
null
-6.09
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N[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]2C1=O
122.8254005
41.35025811
0.0
35.93898261
17.68187306
141.4269237
25.98743874
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'L', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
188.1263674
30.21209354
5.647368313
0.0
0
2020_Townsend
3581
null
177.33
11.36
571.1860805
0.0
106.6711
-10.71774692
-2.745986747
-49.47624822
-51.35104537
-54.63076214
-63.01872448
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
0
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
0.282224884
null
ac81c9cab999dfbc94afff7161842e7e29b3c43c8dc4a8a34427551d40d4e777
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,581
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'L', 'P', 'L', 'F']
41
3582
-5.82
-5.82
Circle
7
-2.48e-16
-2.703951957
-2.21e-16
-2.863922302
-1.72e-16
-1.13535425
5.26e-16
-0.249287767
3.012574928
4308.753031
138.0
null
null
98.04700538
91.9882332
26.9882332
52.01709006
46.26903896
13.98018458
9.378366518
9.378366518
5.67130978
5.67130978
3.604411895
3.604411895
null
null
null
null
298.1610213
23.42614602
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.732142857
1.25
1.857142857
0.69047619
135.0
PEPTIDE3582{[dP].[Pr_Gly].L.L.P.L.F}$PEPTIDE3582,PEPTIDE3582,1:R1-7:R2$$$
PEPTIDE3582{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3582,PEPTIDE3582,1:R1-7:R2$$$
-4.49
56
714.504
3582
null
null
1.6399999999999998e+39
9.201058546
20.60856476
12.0059032
423.7167393
null
16.60877009
0.342755981
16.60877009
0.245675664
1.819643841
0.245675664
-6.991576729
-0.342755981
2.5408
212.5748
780.024
Circle
7
7
null
4
14
null
null
0
3
3
1
0
1
7
4
14
0
17
0
3
3
310
hepta_5
-5.82
3.248413466
-0.42645757
35.93898261
36.10735481
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
91.65991465
24.31672091
null
-5.82
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N[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]2C1=O
122.8254005
41.35025811
0.0
35.93898261
17.68187306
141.4269237
25.98743874
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'L', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
188.1263674
30.21209354
5.647368313
0.0
0
2020_Townsend
3582
null
177.33
20.1
571.1860805
0.0
106.6711
-10.71774692
-2.745986747
-49.47624822
-51.35104537
-54.63076214
-63.01872448
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
0
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
0.282224884
null
bace82196da1c72b3b93e99819b7b52b54d967dc58767ffe45d6c3c6f4e5b5e6
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,582
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'Me_dL', 'P', 'dL', 'F']
47
3583
-10.0
-10
Circle
5
-2.61e-16
-2.718243534
-2.52e-16
-2.858444941
-1.19e-16
-1.135757491
1.03e-15
-0.249287767
3.079347335
4417.027602
121.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
304.7269446
26.16766313
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.771929825
1.385964912
2.035087719
0.697674419
123.0
PEPTIDE3583{[dP].[Pr_Gly].[dL].[Me_dL].P.[dL].F}$PEPTIDE3583,PEPTIDE3583,1:R1-7:R2$$$
PEPTIDE3583{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3583,PEPTIDE3583,1:R1-7:R2$$$
-4.49
57
726.515
3583
null
null
5.67e+40
9.28286508
20.78752478
12.01558543
433.0435372
null
16.77887333
0.342747938
16.77887333
0.245675664
1.83753226
0.245675664
-7.278035062
-0.342747938
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_6
-10.0
3.207839548
-0.346244407
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-10.0
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'Me_dL', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3583
null
168.54
0.0
591.5290062
0.0
104.9517994
-8.122460697
-2.771298538
-50.49687761
-52.24334653
-55.44120708
-70.23894848
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
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
0.327611986
null
d48e8637a47cf6cc7e266b82d4946c0ca53761fb1dd06a35a5ed5e9d5617ae2c
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,583
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'dL', 'P', 'dL', 'F']
47
3584
-6.41
-6.41
Circle
5
-2.74e-16
-2.714070056
-2.18e-16
-2.860898164
-1.17e-16
-1.135669702
5.9e-16
-0.249287767
3.078401787
4417.027602
126.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.705184518
3.705184518
null
null
null
null
304.7269446
26.16766313
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.771929825
1.350877193
2.0
0.697674419
127.0
PEPTIDE3584{[dP].[Pr_Gly].[Me_dL].[dL].P.[dL].F}$PEPTIDE3584,PEPTIDE3584,1:R1-7:R2$$$
PEPTIDE3584{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3584,PEPTIDE3584,1:R1-7:R2$$$
-4.49
57
726.515
3584
null
null
1.1599999999999999e+41
9.28286508
20.78752478
12.01558543
433.0435372
null
16.69585687
0.342504271
16.69585687
0.245675664
1.842039674
0.245675664
-7.203673319
-0.342504271
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_7
-6.41
3.234908224
-0.356300594
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-6.41
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=O)N[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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'dL', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3584
null
168.54
5.66
591.3020711
0.0
105.0088337
-8.179494975
-2.779116678
-50.43548166
-52.15506634
-55.38467955
-70.21039888
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
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
0.327611986
null
3c1cf851980098b68dd79c192e6a6ea5c04025732e0298c1d047c67016d95328
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,584
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'dL', 'P', 'Me_dL', 'F']
47
3585
-5.97
-5.97
Circle
6
-3.08e-16
-2.707636121
-2.82e-16
-2.860167341
-1.3e-16
-1.135354871
6.66e-16
-0.249287767
3.083626329
4417.027602
127.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
null
null
null
304.7269446
24.75582106
33.56176029
0
0
0
0
0
0
0.0
67.20825277
793.5101975
0.771929825
1.350877193
1.964912281
0.697674419
120.0
PEPTIDE3585{[dP].[Pr_Gly].[dL].[dL].P.[Me_dL].F}$PEPTIDE3585,PEPTIDE3585,1:R1-7:R2$$$
PEPTIDE3585{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3585,PEPTIDE3585,1:R1-7:R2$$$
-4.49
57
726.515
3585
null
null
1.19e+41
9.28286508
20.78752478
12.01558543
433.0435372
null
16.74143791
0.342755981
16.74143791
0.245675665
1.85809655
0.245675665
-7.16653906
-0.342755981
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_8
-5.97
3.24235547
-0.364135139
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-5.97
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3585
null
168.54
14.91
591.4947565
0.0
105.0717087
-8.242369986
-2.810849787
-50.43104926
-52.4356328
-55.50715037
-69.97274639
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
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
0.327611986
null
9238b40a4e432cad327b866ac771dc6ee4672417744c0803787d30f19e056365
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,585
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'meL', 'P', 'dL', 'F']
45
3586
-5.67
-5.67
Circle
3
-2.61e-16
-2.718243534
-2.52e-16
-2.858444941
-1.19e-16
-1.135757491
1.03e-15
-0.249287767
3.079347335
4417.027602
123.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
null
null
null
304.7269446
26.16766313
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.771929825
1.385964912
2.035087719
0.697674419
115.0
PEPTIDE3586{[dP].[Pr_Gly].[dL].[meL].P.[dL].F}$PEPTIDE3586,PEPTIDE3586,1:R1-7:R2$$$
PEPTIDE3586{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3586,PEPTIDE3586,1:R1-7:R2$$$
-4.49
57
726.515
3586
null
null
5.67e+40
9.28286508
20.78752478
12.01558543
433.0435372
null
16.77887333
0.342747938
16.77887333
0.245675664
1.83753226
0.245675664
-7.278035062
-0.342747938
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_9
-5.67
3.207839548
-0.346244407
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-5.67
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'meL', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3586
null
168.54
27.48
591.5290062
0.0
104.9517994
-8.122460697
-2.771298538
-50.49687761
-52.24334653
-55.44120708
-70.23894848
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
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
0.327611986
null
adb671e6ffe6945736420017398a1792f01a9dc3debe03f44c7fc5d82241449a
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,587
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'Me_dL', 'P', 'dL', 'F']
46
3588
-5.43
-5.43
Circle
9
-2.61e-16
-2.718243534
-2.52e-16
-2.858444941
-1.19e-16
-1.135757491
1.03e-15
-0.249287767
3.079347335
4417.027602
113.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
null
null
null
304.7269446
26.16766313
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.771929825
1.385964912
2.035087719
0.697674419
111.0
PEPTIDE3588{[dP].[Pr_Gly].L.[Me_dL].P.[dL].F}$PEPTIDE3588,PEPTIDE3588,1:R1-7:R2$$$
PEPTIDE3588{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3588,PEPTIDE3588,1:R1-7:R2$$$
-4.49
57
726.515
3588
null
null
5.67e+40
9.28286508
20.78752478
12.01558543
433.0435372
null
16.77887333
0.342747938
16.77887333
0.245675664
1.83753226
0.245675664
-7.278035062
-0.342747938
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_11
-5.43
3.207839548
-0.346244407
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-5.43
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'Me_dL', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3588
null
168.54
42.83
591.5290062
0.0
104.9517994
-8.122460697
-2.771298538
-50.49687761
-52.24334653
-55.44120708
-70.23894848
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
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
0.327611986
null
924b9870b40c36eba232eb7e5b2ab762417305af6cf0ca51ea9b7e91625aef3e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,588
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'dL', 'P', 'L', 'F']
44
3589
-6.69
-6.69
Circle
7
-2.74e-16
-2.714070056
-2.18e-16
-2.860898164
-1.17e-16
-1.135669702
5.9e-16
-0.249287767
3.078401787
4417.027602
133.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.705184518
3.705184518
null
null
null
null
304.7269446
26.16766313
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.771929825
1.350877193
2.0
0.697674419
133.0
PEPTIDE3589{[dP].[Pr_Gly].[meL].[dL].P.L.F}$PEPTIDE3589,PEPTIDE3589,1:R1-7:R2$$$
PEPTIDE3589{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3589,PEPTIDE3589,1:R1-7:R2$$$
-4.49
57
726.515
3589
null
null
1.1599999999999999e+41
9.28286508
20.78752478
12.01558543
433.0435372
null
16.69585687
0.342504271
16.69585687
0.245675664
1.842039674
0.245675664
-7.203673319
-0.342504271
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_12
-6.69
3.234908224
-0.356300594
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-6.69
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'dL', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3589
null
168.54
2.98
591.3020711
0.0
105.0088337
-8.179494975
-2.779116678
-50.43548166
-52.15506634
-55.38467955
-70.21039888
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
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
0.327611986
null
adbd6f05fdb6d9a2b4a114eefc3f3bae435d5e13fffc84c4ee1497c496b79b7b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,589
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'meL', 'P', 'dL', 'F']
44
3590
-6.15
-6.15
Circle
7
-2.61e-16
-2.718243534
-2.52e-16
-2.858444941
-1.19e-16
-1.135757491
1.03e-15
-0.249287767
3.079347335
4417.027602
131.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
null
null
null
304.7269446
26.16766313
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.771929825
1.385964912
2.035087719
0.697674419
137.0
PEPTIDE3590{[dP].[Pr_Gly].L.[meL].P.[dL].F}$PEPTIDE3590,PEPTIDE3590,1:R1-7:R2$$$
PEPTIDE3590{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3590,PEPTIDE3590,1:R1-7:R2$$$
-4.49
57
726.515
3590
null
null
5.67e+40
9.28286508
20.78752478
12.01558543
433.0435372
null
16.77887333
0.342747938
16.77887333
0.245675664
1.83753226
0.245675664
-7.278035062
-0.342747938
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_13
-6.15
3.207839548
-0.346244407
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-6.15
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'meL', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3590
null
168.54
9.95
591.5290062
0.0
104.9517994
-8.122460697
-2.771298538
-50.49687761
-52.24334653
-55.44120708
-70.23894848
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
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
0.327611986
null
1123664f7a1bdbd66873bdf55dd316be13c6cd19fa44963769608c68bd56c6d0
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,590
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'meL', 'P', 'L', 'F']
44
3591
-5.56
-5.56
Circle
7
-2.61e-16
-2.718243534
-2.52e-16
-2.858444941
-1.19e-16
-1.135757491
1.03e-15
-0.249287767
3.079347335
4417.027602
128.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
null
null
null
304.7269446
26.16766313
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.771929825
1.385964912
2.035087719
0.697674419
129.0
PEPTIDE3591{[dP].[Pr_Gly].[dL].[meL].P.L.F}$PEPTIDE3591,PEPTIDE3591,1:R1-7:R2$$$
PEPTIDE3591{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3591,PEPTIDE3591,1:R1-7:R2$$$
-4.49
57
726.515
3591
null
null
5.67e+40
9.28286508
20.78752478
12.01558543
433.0435372
null
16.77887333
0.342747938
16.77887333
0.245675664
1.83753226
0.245675664
-7.278035062
-0.342747938
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_14
-5.56
3.207839548
-0.346244407
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-5.56
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'meL', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3591
null
168.54
33.65
591.5290062
0.0
104.9517994
-8.122460697
-2.771298538
-50.49687761
-52.24334653
-55.44120708
-70.23894848
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
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
0.327611986
null
e6e8327935fb8c355380cbef148e4019e7422fc0cb47d27c8cced81da6ba3481
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,591
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'L', 'P', 'meL', 'F']
44
3592
-5.2
-5.2
Circle
6
-3.08e-16
-2.707636121
-2.82e-16
-2.860167341
-1.3e-16
-1.135354871
6.66e-16
-0.249287767
3.083626329
4417.027602
131.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
null
null
null
304.7269446
24.75582106
33.56176029
0
0
0
0
0
0
0.0
67.20825277
793.5101975
0.771929825
1.350877193
1.964912281
0.697674419
136.0
PEPTIDE3592{[dP].[Pr_Gly].[dL].L.P.[meL].F}$PEPTIDE3592,PEPTIDE3592,1:R1-7:R2$$$
PEPTIDE3592{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3592,PEPTIDE3592,1:R1-7:R2$$$
-4.49
57
726.515
3592
null
null
1.19e+41
9.28286508
20.78752478
12.01558543
433.0435372
null
16.74143791
0.342755981
16.74143791
0.245675665
1.85809655
0.245675665
-7.16653906
-0.342755981
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_15
-5.2
3.24235547
-0.364135139
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-5.2
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'L', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3592
null
168.54
60.96
591.4947565
0.0
105.0717087
-8.242369986
-2.810849787
-50.43104926
-52.4356328
-55.50715037
-69.97274639
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
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
0.327611986
null
677b65a15b983bfae2a58a4089a396fe75b049f9259aed92ef3b9953ae25fa12
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,593
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'L', 'P', 'meL', 'F']
43
3594
-5.68
-5.68
Circle
3
-3.08e-16
-2.707636121
-2.82e-16
-2.860167341
-1.3e-16
-1.135354871
6.66e-16
-0.249287767
3.083626329
4417.027602
123.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
null
null
null
304.7269446
24.75582106
33.56176029
0
0
0
0
0
0
0.0
67.20825277
793.5101975
0.771929825
1.350877193
1.964912281
0.697674419
128.0
PEPTIDE3594{[dP].[Pr_Gly].L.L.P.[meL].F}$PEPTIDE3594,PEPTIDE3594,1:R1-7:R2$$$
PEPTIDE3594{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3594,PEPTIDE3594,1:R1-7:R2$$$
-4.49
57
726.515
3594
null
null
1.19e+41
9.28286508
20.78752478
12.01558543
433.0435372
null
16.74143791
0.342755981
16.74143791
0.245675665
1.85809655
0.245675665
-7.16653906
-0.342755981
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_17
-5.68
3.24235547
-0.364135139
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-5.68
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'L', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3594
null
168.54
26.59
591.4947565
0.0
105.0717087
-8.242369986
-2.810849787
-50.43104926
-52.4356328
-55.50715037
-69.97274639
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
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
0.327611986
null
5e6b8a3af354cc1c9190f653ca929fbc1c4757e48b7fa8caf7bfb4e585dba591
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,594
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'meL', 'P', 'L', 'F']
43
3595
-5.33
-5.33
Circle
9
-2.61e-16
-2.718243534
-2.52e-16
-2.858444941
-1.19e-16
-1.135757491
1.03e-15
-0.249287767
3.079347335
4417.027602
120.0
null
null
100.5470054
94.4882332
27.4882332
53.22841493
47.54543216
14.20379138
9.601973316
9.601973316
5.884658425
5.884658425
3.733135368
3.733135368
null
null
null
null
304.7269446
26.16766313
33.56176029
0
0
0
0
0
0
0.0
65.7964107
793.5101975
0.771929825
1.385964912
2.035087719
0.697674419
118.0
PEPTIDE3595{[dP].[Pr_Gly].L.[meL].P.L.F}$PEPTIDE3595,PEPTIDE3595,1:R1-7:R2$$$
PEPTIDE3595{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3595,PEPTIDE3595,1:R1-7:R2$$$
-4.49
57
726.515
3595
null
null
5.67e+40
9.28286508
20.78752478
12.01558543
433.0435372
null
16.77887333
0.342747938
16.77887333
0.245675664
1.83753226
0.245675664
-7.278035062
-0.342747938
2.883
217.2021
794.051
Circle
7
7
null
3
14
null
null
0
3
3
1
0
1
7
3
14
0
18
0
3
3
316
hepta_18
-5.33
3.207839548
-0.346244407
35.52907898
36.10735481
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
102.7480172
24.31672091
null
-5.33
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
17.68187306
141.4269237
32.96326564
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'meL', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
192.2386431
30.21209354
4.235526235
0.0
0
2020_Townsend
3595
null
168.54
50.46
591.5290062
0.0
104.9517994
-8.122460697
-2.771298538
-50.49687761
-52.24334653
-55.44120708
-70.23894848
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
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
0.327611986
null
dddda7bffa969b9e3b0a9904866ce326175ca384ab5696f410780eeeaf298ee0
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,595
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'Me_dL', 'P', 'dL', 'F']
50
3596
-5.81
-5.81
Circle
5
-2.57e-16
-2.726648893
-2.86e-16
-2.85804292
-9.28e-17
-1.136010649
6e-16
-0.249287767
3.146474109
4525.662562
104.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.833907991
3.833907991
null
null
null
null
311.2928678
24.75582106
33.56176029
0
0
0
0
0
0
0.0
69.90868636
807.5258475
0.75862069
1.344827586
1.965517241
0.704545455
103.0
PEPTIDE3596{[dP].[Pr_Gly].[Me_dL].[Me_dL].P.[dL].F}$PEPTIDE3596,PEPTIDE3596,1:R1-7:R2$$$
PEPTIDE3596{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3596,PEPTIDE3596,1:R1-7:R2$$$
-4.49
58
738.526
3596
null
null
9.63e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.97914699
0.342504271
16.97914699
0.245675664
1.859928093
0.245675664
-7.419298319
-0.342504271
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_19
-5.81
3.020403693
-0.251454402
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.81
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'Me_dL', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3596
null
159.75
20.49
611.895847
0.0
103.0895331
-5.38420875
-2.804428469
-51.45611104
-53.0473675
-56.19512449
-77.68147322
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
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
0.367564368
null
eeff6ef77c82a73946a885abbe0521437c9e9b3d6107afb453d094f66591243d
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,596
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'Me_dL', 'P', 'Me_dL', 'F']
50
3597
-4.99
-4.99
Circle
1
-3.09e-16
-2.719659456
-2.24e-16
-2.849786608
-7.66e-17
-1.135757659
6.31e-16
-0.249287767
3.149977335
4525.662562
129.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.861858841
3.861858841
null
null
null
null
311.2928678
27.49733817
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.75862069
1.344827586
1.965517241
0.704545455
127.0
PEPTIDE3597{[dP].[Pr_Gly].[dL].[Me_dL].P.[Me_dL].F}$PEPTIDE3597,PEPTIDE3597,1:R1-7:R2$$$
PEPTIDE3597{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3597,PEPTIDE3597,1:R1-7:R2$$$
-4.49
58
738.526
3597
null
null
1.55e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.94915395
0.342747938
16.94915395
0.245675665
1.875984969
0.245675665
-7.3772857
-0.342747938
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_20
-4.99
3.126780557
-0.205327385
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-4.99
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'Me_dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3597
null
159.75
78.38
611.9700896
0.0
103.2473734
-5.54204904
-2.836161578
-51.45167864
-53.32793395
-56.31759532
-77.32537779
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
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
0.367564368
null
1c36d366497220f6a2b590af8c0353cf1177bebc1181f6be8d91c3b5205af670
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,597
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'dL', 'P', 'Me_dL', 'F']
48
3598
-5.19
-5.19
Circle
9
-2.6e-16
-2.715100507
-2.4e-16
-2.853303128
-9.83e-17
-1.135673535
6.76e-16
-0.249287767
3.147600908
4525.662562
113.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.833907991
3.833907991
null
null
null
null
311.2928678
24.75582106
33.56176029
0
0
0
0
0
0
0.0
69.90868636
807.5258475
0.75862069
1.293103448
1.862068966
0.704545455
109.0
PEPTIDE3598{[dP].[Pr_Gly].[meL].[dL].P.[Me_dL].F}$PEPTIDE3598,PEPTIDE3598,1:R1-7:R2$$$
PEPTIDE3598{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3598,PEPTIDE3598,1:R1-7:R2$$$
-4.49
58
738.526
3598
null
null
5.4e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.82852469
0.34249608
16.82852469
0.245675665
1.880492383
0.245675665
-7.259148525
-0.34249608
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_21
-5.19
3.142152808
-0.232940831
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.19
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3598
null
159.75
62.27
611.6917998
0.0
103.3464259
-5.64110151
-2.843979718
-51.39028269
-53.23965376
-56.26106778
-77.24547355
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
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
0.367564368
null
cdbd5b825880450022be3b6da049a60cd97e5d8b74a1386160f260dd11afae69
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,598
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'meL', 'P', 'Me_dL', 'F']
48
3599
-5.2
-5.2
Circle
1
-3.09e-16
-2.719659456
-2.24e-16
-2.849786608
-7.66e-17
-1.135757659
6.31e-16
-0.249287767
3.149977335
4525.662562
110.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.861858841
3.861858841
null
null
null
null
311.2928678
27.49733817
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.75862069
1.344827586
1.965517241
0.704545455
107.0
PEPTIDE3599{[dP].[Pr_Gly].[dL].[meL].P.[Me_dL].F}$PEPTIDE3599,PEPTIDE3599,1:R1-7:R2$$$
PEPTIDE3599{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3599,PEPTIDE3599,1:R1-7:R2$$$
-4.49
58
738.526
3599
null
null
1.55e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.94915395
0.342747938
16.94915395
0.245675665
1.875984969
0.245675665
-7.3772857
-0.342747938
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_22
-5.2
3.126780557
-0.205327385
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.2
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'meL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3599
null
159.75
61.51
611.9700896
0.0
103.2473734
-5.54204904
-2.836161578
-51.45167864
-53.32793395
-56.31759532
-77.32537779
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
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
0.367564368
null
ed009bd3fab25629084233d6e7d71ab31cada54b690995911ba9bed9f9ec0c97
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,599
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'L', 'P', 'Me_dL', 'F']
49
3600
-5.07
-5.07
Circle
3
-2.6e-16
-2.715100507
-2.4e-16
-2.853303128
-9.83e-17
-1.135673535
6.76e-16
-0.249287767
3.147600908
4525.662562
113.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.833907991
3.833907991
null
null
null
null
311.2928678
24.75582106
33.56176029
0
0
0
0
0
0
0.0
69.90868636
807.5258475
0.75862069
1.293103448
1.862068966
0.704545455
110.0
PEPTIDE3600{[dP].[Pr_Gly].[Me_dL].L.P.[Me_dL].F}$PEPTIDE3600,PEPTIDE3600,1:R1-7:R2$$$
PEPTIDE3600{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3600,PEPTIDE3600,1:R1-7:R2$$$
-4.49
58
738.526
3600
null
null
5.4e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.82852469
0.34249608
16.82852469
0.245675665
1.880492383
0.245675665
-7.259148525
-0.34249608
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_23
-5.07
3.142152808
-0.232940831
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.07
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'L', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3600
null
159.75
71.91
611.6917998
0.0
103.3464259
-5.64110151
-2.843979718
-51.39028269
-53.23965376
-56.26106778
-77.24547355
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
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
0.367564368
null
64bff7fa4366ae7ef2ef78da1f604290f83b31221a685a5c4d306001cb9e8948
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,600
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'Me_dL', 'P', 'Me_dL', 'F']
49
3601
-5.25
-5.25
Circle
2
-3.09e-16
-2.719659456
-2.24e-16
-2.849786608
-7.66e-17
-1.135757659
6.31e-16
-0.249287767
3.149977335
4525.662562
99.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.861858841
3.861858841
null
null
null
null
311.2928678
27.49733817
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.75862069
1.344827586
1.965517241
0.704545455
101.0
PEPTIDE3601{[dP].[Pr_Gly].L.[Me_dL].P.[Me_dL].F}$PEPTIDE3601,PEPTIDE3601,1:R1-7:R2$$$
PEPTIDE3601{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3601,PEPTIDE3601,1:R1-7:R2$$$
-4.49
58
738.526
3601
null
null
1.55e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.94915395
0.342747938
16.94915395
0.245675665
1.875984969
0.245675665
-7.3772857
-0.342747938
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_24
-5.25
3.126780557
-0.205327385
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.25
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'Me_dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3601
null
159.75
57.2
611.9700896
0.0
103.2473734
-5.54204904
-2.836161578
-51.45167864
-53.32793395
-56.31759532
-77.32537779
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
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
0.367564368
null
9926076488e7b80a27f735c3e919bf2c1cd75ed9fbb35109ecab5f49e592a05e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,601
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'Bn_Gly', 'P', 'dL', 'F']
48
3602
-5.97
-5.97
Circle
6
-2.56e-16
-2.688903928
-1.21e-16
-2.855811484
-3.12e-17
-1.134688709
1.67e-15
-0.249287762
2.556048219
4591.267362
126.0
null
null
98.011107
91.4882332
28.4882332
52.90384141
46.29543216
14.95379138
9.976973316
9.976973316
6.146127389
6.146127389
3.89511985
3.89511985
null
null
null
null
314.5318228
27.53842169
33.56176029
0
0
0
0
0
0
0.0
58.94261792
813.4788974
0.728813559
1.338983051
2.0
0.577777778
123.0
PEPTIDE3602{[dP].[Pr_Gly].[dL].[Bn_Gly].P.[dL].F}$PEPTIDE3602,PEPTIDE3602,1:R1-7:R2$$$
PEPTIDE3602{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3602,PEPTIDE3602,1:R1-7:R2$$$
-5.27
59
750.537
3602
null
null
1.07e+40
10.24948353
21.12417372
12.13922697
437.020981
null
16.67811084
0.342747692
16.67811084
0.245675664
1.7958195
0.245675664
-6.876290595
-0.342747692
3.0387
223.0481
814.041
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
320
hepta_25
-5.97
4.120274895
1.073467373
35.52907898
36.58632203
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
85.81994733
35.28278936
null
-5.97
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
11.78791537
121.8291818
32.48429842
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'Bn_Gly', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
172.2423512
60.42418708
4.235526235
0.0
0
2020_Townsend
3602
null
168.54
14.78
558.7289537
0.0
105.055288
-7.714469237
-5.40920125
-42.56587054
-54.47325978
-47.53045646
-63.92431778
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
0
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
0.33164421
null
1d6a4aab1304d3d4a0ce94598d6fff420ed50531f17fcbb8991115b274f259fa
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,602
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'dL', 'P', 'Bn_Gly', 'F']
48
3603
-5.98
-5.98
Circle
2
-2.31e-16
-2.703362032
-1.5e-16
-2.858878462
-1.14e-16
-1.135353889
1.66e-15
-0.249287767
2.559983955
4591.267362
135.0
null
null
98.011107
91.4882332
28.4882332
52.90384141
46.29543216
14.95379138
9.976973316
9.976973316
6.146127389
6.146127389
3.9230707
3.9230707
null
null
null
null
314.5318228
30.2799388
33.56176029
0
0
0
0
0
0
0.0
56.2011008
813.4788974
0.711864407
1.220338983
1.796610169
0.577777778
138.0
PEPTIDE3603{[dP].[Pr_Gly].[dL].[dL].P.[Bn_Gly].F}$PEPTIDE3603,PEPTIDE3603,1:R1-7:R2$$$
PEPTIDE3603{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3603,PEPTIDE3603,1:R1-7:R2$$$
-5.27
59
750.537
3603
null
null
1.18e+40
10.24948353
21.12417372
12.13922697
437.020981
null
16.68079741
0.342755981
16.68079741
0.245675463
1.761755271
0.245675463
-6.966384841
-0.342755981
3.0387
223.0481
814.041
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
320
hepta_26
-5.98
3.965098616
1.233709474
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
85.81994733
41.77964905
null
-5.98
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@H](CC(C)C)C(=O)N[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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
11.78791537
121.8291818
32.48429842
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
172.2423512
60.42418708
4.235526235
0.0
0
2020_Townsend
3603
null
168.54
14.41
558.5566194
0.0
105.1297509
-7.78893208
-5.275617094
-42.67874546
-54.19837048
-47.66843308
-63.90960544
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
0
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
0.33164421
null
b0868a90b780867ddee4d9c23afe8342fa5b2719c027a96eb49fa3479555691e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,603
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'Me_dL', 'P', 'L', 'F']
47
3604
-5.96
-5.96
Circle
6
-2.57e-16
-2.726648893
-2.86e-16
-2.85804292
-9.28e-17
-1.136010649
6e-16
-0.249287767
3.146474109
4525.662562
123.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.833907991
3.833907991
null
null
null
null
311.2928678
24.75582106
33.56176029
0
0
0
0
0
0
0.0
69.90868636
807.5258475
0.75862069
1.344827586
1.965517241
0.704545455
123.0
PEPTIDE3604{[dP].[Pr_Gly].[meL].[Me_dL].P.L.F}$PEPTIDE3604,PEPTIDE3604,1:R1-7:R2$$$
PEPTIDE3604{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3604,PEPTIDE3604,1:R1-7:R2$$$
-4.49
58
738.526
3604
null
null
9.63e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.97914699
0.342504271
16.97914699
0.245675664
1.859928093
0.245675664
-7.419298319
-0.342504271
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_27
-5.96
3.020403693
-0.251454402
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.96
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'Me_dL', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3604
null
159.75
15.23
611.895847
0.0
103.0895331
-5.38420875
-2.804428469
-51.45611104
-53.0473675
-56.19512449
-77.68147322
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
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
0.367564368
null
6143996db25c08bdf7a0a4941226da94506b473942d87b57e973268b57a07164
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,604
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'Me_dL', 'P', 'meL', 'F']
47
3605
-5.12
-5.12
Circle
7
-3.09e-16
-2.719659456
-2.24e-16
-2.849786608
-7.66e-17
-1.135757659
6.31e-16
-0.249287767
3.149977335
4525.662562
110.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.861858841
3.861858841
null
null
null
null
311.2928678
27.49733817
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.75862069
1.344827586
1.965517241
0.704545455
103.0
PEPTIDE3605{[dP].[Pr_Gly].L.[Me_dL].P.[meL].F}$PEPTIDE3605,PEPTIDE3605,1:R1-7:R2$$$
PEPTIDE3605{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3605,PEPTIDE3605,1:R1-7:R2$$$
-4.49
58
738.526
3605
null
null
1.55e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.94915395
0.342747938
16.94915395
0.245675665
1.875984969
0.245675665
-7.3772857
-0.342747938
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_28
-5.12
3.126780557
-0.205327385
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.12
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'Me_dL', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3605
null
159.75
67.53
611.9700896
0.0
103.2473734
-5.54204904
-2.836161578
-51.45167864
-53.32793395
-56.31759532
-77.32537779
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
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
0.367564368
null
a40c80ebd34e833e0c151387c8525b43e1faa5e52ba9538c6a4f3207a424e25e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,606
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'L', 'P', 'Me_dL', 'F']
47
3607
-5.17
-5.17
Circle
5
-2.6e-16
-2.715100507
-2.4e-16
-2.853303128
-9.83e-17
-1.135673535
6.76e-16
-0.249287767
3.147600908
4525.662562
119.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.833907991
3.833907991
null
null
null
null
311.2928678
24.75582106
33.56176029
0
0
0
0
0
0
0.0
69.90868636
807.5258475
0.75862069
1.293103448
1.862068966
0.704545455
119.0
PEPTIDE3607{[dP].[Pr_Gly].[meL].L.P.[Me_dL].F}$PEPTIDE3607,PEPTIDE3607,1:R1-7:R2$$$
PEPTIDE3607{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3607,PEPTIDE3607,1:R1-7:R2$$$
-4.49
58
738.526
3607
null
null
5.4e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.82852469
0.34249608
16.82852469
0.245675665
1.880492383
0.245675665
-7.259148525
-0.34249608
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_30
-5.17
3.142152808
-0.232940831
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.17
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'L', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3607
null
159.75
63.77
611.6917998
0.0
103.3464259
-5.64110151
-2.843979718
-51.39028269
-53.23965376
-56.26106778
-77.24547355
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
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
0.367564368
null
41a4dc287e065b7ad4aca05bdb08ef6fdec47289be367bde41d84803812c9cb6
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,607
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'Bn_Gly', 'P', 'L', 'F']
47
3608
-10.0
-10
Circle
8
-2.56e-16
-2.688903928
-1.21e-16
-2.855811484
-3.12e-17
-1.134688709
1.67e-15
-0.249287762
2.556048219
4591.267362
130.0
null
null
98.011107
91.4882332
28.4882332
52.90384141
46.29543216
14.95379138
9.976973316
9.976973316
6.146127389
6.146127389
3.89511985
3.89511985
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
314.5318228
27.53842169
33.56176029
0
0
0
0
0
0
0.0
58.94261792
813.4788974
0.728813559
1.338983051
2.0
0.577777778
128.0
PEPTIDE3608{[dP].[Pr_Gly].[dL].[Bn_Gly].P.L.F}$PEPTIDE3608,PEPTIDE3608,1:R1-7:R2$$$
PEPTIDE3608{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3608,PEPTIDE3608,1:R1-7:R2$$$
-5.27
59
750.537
3608
null
null
1.07e+40
10.24948353
21.12417372
12.13922697
437.020981
null
16.67811084
0.342747692
16.67811084
0.245675664
1.7958195
0.245675664
-6.876290595
-0.342747692
3.0387
223.0481
814.041
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
320
hepta_31
-10.0
4.120274895
1.073467373
35.52907898
36.58632203
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
85.81994733
35.28278936
null
-10.0
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
11.78791537
121.8291818
32.48429842
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'Bn_Gly', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
172.2423512
60.42418708
4.235526235
0.0
0
2020_Townsend
3608
null
168.54
0.0
558.7289537
0.0
105.055288
-7.714469237
-5.40920125
-42.56587054
-54.47325978
-47.53045646
-63.92431778
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
0
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
0.33164421
null
b8eca00bce5fb742fccc865726b9eee614c70146341d8577bca940872f34e211
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,608
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'L', 'P', 'dL', 'F']
47
3609
-6.14
-6.14
Circle
5
-2.11e-16
-2.689862864
-1.88e-16
-2.858762616
-3.51e-17
-1.134655901
1.24e-15
-0.249287762
2.557093046
4591.267362
134.0
null
null
98.011107
91.4882332
28.4882332
52.90384141
46.29543216
14.95379138
9.976973316
9.976973316
6.146127389
6.146127389
3.89511985
3.89511985
null
null
null
null
314.5318228
27.53842169
33.56176029
0
0
0
0
0
0
0.0
58.94261792
813.4788974
0.728813559
1.305084746
1.949152542
0.577777778
131.0
PEPTIDE3609{[dP].[Pr_Gly].[Bn_Gly].L.P.[dL].F}$PEPTIDE3609,PEPTIDE3609,1:R1-7:R2$$$
PEPTIDE3609{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3609,PEPTIDE3609,1:R1-7:R2$$$
-5.27
59
750.537
3609
null
null
9.43e+39
10.24948353
21.12417372
12.13922697
437.020981
null
16.70096588
0.342747538
16.70096588
0.245675664
1.767790083
0.245675664
-6.827995372
-0.342747538
3.0387
223.0481
814.041
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
320
hepta_32
-6.14
4.144433648
1.194917434
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
85.81994733
41.77964905
null
-6.14
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(Cc2ccccc2)CC(=O)N[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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
11.78791537
121.8291818
32.48429842
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'L', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
172.2423512
60.42418708
4.235526235
0.0
0
2020_Townsend
3609
null
168.54
10.24
558.6003223
0.0
105.0713227
-7.730503857
-5.363829964
-42.54209372
-54.43110316
-47.6614196
-63.77602801
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
0
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
0.33164421
null
c331873a240647dff6aceef4860ce039efdd69d9b4b2dd1469bc64dbc74d62ba
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,609
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'L', 'P', 'Bn_Gly', 'F']
47
3610
-5.79
-5.79
Circle
5
-2.31e-16
-2.703362032
-1.5e-16
-2.858878462
-1.14e-16
-1.135353889
1.66e-15
-0.249287767
2.559983955
4591.267362
131.0
null
null
98.011107
91.4882332
28.4882332
52.90384141
46.29543216
14.95379138
9.976973316
9.976973316
6.146127389
6.146127389
3.9230707
3.9230707
null
null
null
null
314.5318228
30.2799388
33.56176029
0
0
0
0
0
0
0.0
56.2011008
813.4788974
0.711864407
1.220338983
1.796610169
0.577777778
129.0
PEPTIDE3610{[dP].[Pr_Gly].[dL].L.P.[Bn_Gly].F}$PEPTIDE3610,PEPTIDE3610,1:R1-7:R2$$$
PEPTIDE3610{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3610,PEPTIDE3610,1:R1-7:R2$$$
-5.27
59
750.537
3610
null
null
1.18e+40
10.24948353
21.12417372
12.13922697
437.020981
null
16.68079741
0.342755981
16.68079741
0.245675463
1.761755271
0.245675463
-6.966384841
-0.342755981
3.0387
223.0481
814.041
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
320
hepta_33
-5.79
3.965098616
1.233709474
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
85.81994733
41.77964905
null
-5.79
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@H](CC(C)C)C(=O)N[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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
11.78791537
121.8291818
32.48429842
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'L', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
172.2423512
60.42418708
4.235526235
0.0
0
2020_Townsend
3610
null
168.54
21.59
558.5566194
0.0
105.1297509
-7.78893208
-5.275617094
-42.67874546
-54.19837048
-47.66843308
-63.90960544
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
0
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
0.33164421
null
4a62e2adc6145984d92dee2dc6a876a71f02634e0043456e6daa35cfc5800caf
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,610
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'dL', 'P', 'Bn_Gly', 'F']
47
3611
-5.69
-5.69
Circle
7
-2.31e-16
-2.703362032
-1.5e-16
-2.858878462
-1.14e-16
-1.135353889
1.66e-15
-0.249287767
2.559983955
4591.267362
125.0
null
null
98.011107
91.4882332
28.4882332
52.90384141
46.29543216
14.95379138
9.976973316
9.976973316
6.146127389
6.146127389
3.9230707
3.9230707
null
null
null
null
314.5318228
30.2799388
33.56176029
0
0
0
0
0
0
0.0
56.2011008
813.4788974
0.711864407
1.220338983
1.796610169
0.577777778
123.0
PEPTIDE3611{[dP].[Pr_Gly].L.[dL].P.[Bn_Gly].F}$PEPTIDE3611,PEPTIDE3611,1:R1-7:R2$$$
PEPTIDE3611{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3611,PEPTIDE3611,1:R1-7:R2$$$
-5.27
59
750.537
3611
null
null
1.18e+40
10.24948353
21.12417372
12.13922697
437.020981
null
16.68079741
0.342755981
16.68079741
0.245675463
1.761755271
0.245675463
-6.966384841
-0.342755981
3.0387
223.0481
814.041
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
320
hepta_34
-5.69
3.965098616
1.233709474
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
85.81994733
41.77964905
null
-5.69
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N[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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
11.78791537
121.8291818
32.48429842
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
172.2423512
60.42418708
4.235526235
0.0
0
2020_Townsend
3611
null
168.54
26.28
558.5566194
0.0
105.1297509
-7.78893208
-5.275617094
-42.67874546
-54.19837048
-47.66843308
-63.90960544
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
0
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
0.33164421
null
70f8d862832e6416fa6bff52ba041294a9902c0ec79eae869f79207d1269a505
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,611
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'meL', 'P', 'meL', 'F']
45
3612
-5.02
-5.02
Circle
2
-3.09e-16
-2.719659456
-2.24e-16
-2.849786608
-7.66e-17
-1.135757659
6.31e-16
-0.249287767
3.149977335
4525.662562
112.0
null
null
103.0470054
96.9882332
27.9882332
54.43973979
48.82182536
14.42739817
9.825580114
9.825580114
6.09800707
6.09800707
3.861858841
3.861858841
null
null
null
null
311.2928678
27.49733817
33.56176029
0
0
0
0
0
0
0.0
67.16716925
807.5258475
0.75862069
1.344827586
1.965517241
0.704545455
112.0
PEPTIDE3612{[dP].[Pr_Gly].L.[meL].P.[meL].F}$PEPTIDE3612,PEPTIDE3612,1:R1-7:R2$$$
PEPTIDE3612{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3612,PEPTIDE3612,1:R1-7:R2$$$
-4.49
58
738.526
3612
null
null
1.55e+42
9.366176303
20.97023666
11.58418588
442.3703352
null
16.94915395
0.342747938
16.94915395
0.245675665
1.875984969
0.245675665
-7.3772857
-0.342747938
3.2252
221.8294
808.078
Circle
7
7
null
2
14
null
null
0
3
3
1
0
1
7
2
14
0
19
0
3
3
322
hepta_35
-5.02
3.126780557
-0.205327385
35.11917536
36.10735481
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
113.8361198
24.31672091
null
-5.02
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
128.2262677
41.35025811
0.0
35.11917536
17.68187306
141.4269237
39.93909254
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'meL', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
196.3509188
30.21209354
2.823684157
0.0
0
2020_Townsend
3612
null
159.75
75.78
611.9700896
0.0
103.2473734
-5.54204904
-2.836161578
-51.45167864
-53.32793395
-56.31759532
-77.32537779
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
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
0.367564368
null
306eab7d86e8ee280dfda5319740483b4fa4ca06304c7d32eda7c21e32b5e0c4
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,612
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'L', 'P', 'L', 'F']
46
3613
-6.22
-6.22
Circle
2
-2.11e-16
-2.689862864
-1.88e-16
-2.858762616
-3.51e-17
-1.134655901
1.24e-15
-0.249287762
2.557093046
4591.267362
131.0
null
null
98.011107
91.4882332
28.4882332
52.90384141
46.29543216
14.95379138
9.976973316
9.976973316
6.146127389
6.146127389
3.89511985
3.89511985
null
null
null
null
314.5318228
27.53842169
33.56176029
0
0
0
0
0
0
0.0
58.94261792
813.4788974
0.728813559
1.305084746
1.949152542
0.577777778
127.0
PEPTIDE3613{[dP].[Pr_Gly].[Bn_Gly].L.P.L.F}$PEPTIDE3613,PEPTIDE3613,1:R1-7:R2$$$
PEPTIDE3613{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3613,PEPTIDE3613,1:R1-7:R2$$$
-5.27
59
750.537
3613
null
null
9.43e+39
10.24948353
21.12417372
12.13922697
437.020981
null
16.70096588
0.342747538
16.70096588
0.245675664
1.767790083
0.245675664
-6.827995372
-0.342747538
3.0387
223.0481
814.041
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
320
hepta_36
-6.22
4.144433648
1.194917434
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
85.81994733
41.77964905
null
-6.22
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(Cc2ccccc2)CC(=O)N[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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
11.78791537
121.8291818
32.48429842
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'L', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
172.2423512
60.42418708
4.235526235
0.0
0
2020_Townsend
3613
null
168.54
8.66
558.6003223
0.0
105.0713227
-7.730503857
-5.363829964
-42.54209372
-54.43110316
-47.6614196
-63.77602801
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
0
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
0.33164421
null
ff66d6feb666c498794bd8d6808bdcf8a2d6a07d96b978cd249a274ff7d136e1
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,613
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'Bn_Gly', 'P', 'L', 'F']
46
3614
-5.77
-5.77
Circle
2
-2.56e-16
-2.688903928
-1.21e-16
-2.855811484
-3.12e-17
-1.134688709
1.67e-15
-0.249287762
2.556048219
4591.267362
123.0
null
null
98.011107
91.4882332
28.4882332
52.90384141
46.29543216
14.95379138
9.976973316
9.976973316
6.146127389
6.146127389
3.89511985
3.89511985
null
null
null
null
314.5318228
27.53842169
33.56176029
0
0
0
0
0
0
0.0
58.94261792
813.4788974
0.728813559
1.338983051
2.0
0.577777778
111.0
PEPTIDE3614{[dP].[Pr_Gly].L.[Bn_Gly].P.L.F}$PEPTIDE3614,PEPTIDE3614,1:R1-7:R2$$$
PEPTIDE3614{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3614,PEPTIDE3614,1:R1-7:R2$$$
-5.27
59
750.537
3614
null
null
1.07e+40
10.24948353
21.12417372
12.13922697
437.020981
null
16.67811084
0.342747692
16.67811084
0.245675664
1.7958195
0.245675664
-6.876290595
-0.342747692
3.0387
223.0481
814.041
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
15
0
3
3
320
hepta_37
-5.77
4.120274895
1.073467373
35.52907898
36.58632203
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
85.81994733
35.28278936
null
-5.77
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
11.78791537
121.8291818
32.48429842
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'Bn_Gly', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
172.2423512
60.42418708
4.235526235
0.0
0
2020_Townsend
3614
null
168.54
22.46
558.7289537
0.0
105.055288
-7.714469237
-5.40920125
-42.56587054
-54.47325978
-47.53045646
-63.92431778
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
0
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
0.33164421
null
f3f3e733ec7d6d23227a125cea19c4f4212e248e0e021029af49da0ba17ba6fe
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,615
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'Me_dL', 'P', 'Me_dL', 'F']
51
3616
-4.78
-4.78
Circle
7
-2.79e-16
-2.727340681
-2.63e-16
-2.848153499
-1.04e-16
-1.136011021
5.23e-16
-0.249287767
3.215273717
4634.65073
83.0
null
null
105.5470054
99.4882332
28.4882332
55.65106466
50.09821857
14.65100497
10.04918691
10.04918691
6.311355714
6.311355714
3.962631464
3.962631464
null
null
null
null
317.8587911
34.31004743
33.56176029
0
0
0
0
0
0
0.0
63.05489358
821.5414976
0.745762712
1.288135593
1.86440678
0.711111111
84.0
PEPTIDE3616{[dP].[Pr_Gly].[meL].[Me_dL].P.[Me_dL].F}$PEPTIDE3616,PEPTIDE3616,1:R1-7:R2$$$
PEPTIDE3616{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3616,PEPTIDE3616,1:R1-7:R2$$$
-4.49
59
750.537
3616
null
null
2.89e+43
9.450879737
21.15641221
11.62558706
451.6971332
null
17.08182177
0.342180206
17.08182177
0.245675665
1.898380802
0.245675665
-7.50271087
-0.342180206
3.5674
226.4567
822.105
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
20
0
3
3
328
hepta_39
-4.78
2.915916108
-0.038480107
34.70927174
36.10735481
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
124.9242224
24.31672091
null
-4.78
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=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]2C1=O
130.9267013
41.35025811
0.0
34.70927174
17.68187306
141.4269237
46.91491944
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'Me_dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
200.4631945
30.21209354
1.411842078
0.0
0
2020_Townsend
3616
null
150.96
91.42
632.4179832
0.0
101.3220905
-2.740780564
-2.869291509
-52.41091208
-54.13195492
-57.07151272
-84.8489553
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
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
0.379469306
null
48c94998f703bd6492e9c0cddaff259e805077fb05c691b26f8766e80050e7bb
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,616
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'meL', 'P', 'Me_dL', 'F']
51
3617
-4.94
-4.94
Circle
5
-2.79e-16
-2.727340681
-2.63e-16
-2.848153499
-1.04e-16
-1.136011021
5.23e-16
-0.249287767
3.215273717
4634.65073
105.0
null
null
105.5470054
99.4882332
28.4882332
55.65106466
50.09821857
14.65100497
10.04918691
10.04918691
6.311355714
6.311355714
3.962631464
3.962631464
null
null
null
null
317.8587911
34.31004743
33.56176029
0
0
0
0
0
0
0.0
63.05489358
821.5414976
0.745762712
1.288135593
1.86440678
0.711111111
103.0
PEPTIDE3617{[dP].[Pr_Gly].[Me_dL].[meL].P.[Me_dL].F}$PEPTIDE3617,PEPTIDE3617,1:R1-7:R2$$$
PEPTIDE3617{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3617,PEPTIDE3617,1:R1-7:R2$$$
-4.49
59
750.537
3617
null
null
2.89e+43
9.450879737
21.15641221
11.62558706
451.6971332
null
17.08182177
0.342180206
17.08182177
0.245675665
1.898380802
0.245675665
-7.50271087
-0.342180206
3.5674
226.4567
822.105
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
20
0
3
3
328
hepta_40
-4.94
2.915916108
-0.038480107
34.70927174
36.10735481
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
124.9242224
24.31672091
null
-4.94
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=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]2C1=O
130.9267013
41.35025811
0.0
34.70927174
17.68187306
141.4269237
46.91491944
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'meL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
200.4631945
30.21209354
1.411842078
0.0
0
2020_Townsend
3617
null
150.96
82.13
632.4179832
0.0
101.3220905
-2.740780564
-2.869291509
-52.41091208
-54.13195492
-57.07151272
-84.8489553
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
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
0.379469306
null
174416375272136ae2caf7091b9d86afc2f559c0a607f16b0988205fa5f96a07
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,617
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'Bn_Gly', 'P', 'Me_dL', 'F']
51
3618
-10.0
-10
Circle
9
-2.28e-16
-2.700506149
-1.2e-16
-2.846554605
4.11e-17
-1.134996664
1.68e-15
-0.249287762
2.613427182
4700.535999
111.0
null
null
100.511107
93.9882332
28.9882332
54.11516627
47.57182536
15.17739817
10.20058011
10.20058011
6.359476033
6.359476033
4.023843323
4.023843323
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
321.097746
26.12657961
33.56176029
0
0
0
0
0
0
0.0
63.05489358
827.4945474
0.766666667
1.4
2.05
0.586956522
110.0
PEPTIDE3618{[dP].[Pr_Gly].[dL].[Bn_Gly].P.[Me_dL].F}$PEPTIDE3618,PEPTIDE3618,1:R1-7:R2$$$
PEPTIDE3618{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3618,PEPTIDE3618,1:R1-7:R2$$$
-5.27
60
762.548
3618
null
null
2.11e+41
10.32069879
21.30934991
11.7190382
446.3477789
null
16.77560425
0.342747692
16.77560425
0.245675665
1.825221797
0.245675665
-7.072694432
-0.342747692
3.3809
227.6754
828.068
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
326
hepta_41
-10.0
4.098020867
1.151417239
35.11917536
36.58632203
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
96.9080499
35.28278936
null
-10.0
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@H](CC(C)C)C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
122.7432335
41.35025811
0.0
35.11917536
11.78791537
121.8291818
39.46012532
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'Bn_Gly', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
176.3546269
60.42418708
2.823684157
0.0
0
2020_Townsend
3618
null
159.75
0.0
578.9696805
0.0
103.5015196
-5.284715199
-5.519208918
-43.45446787
-55.6305929
-48.32654955
-70.83899898
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
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
0.371848608
null
f2c73bd9276d505e355b96e5c88a22423b0e410fda4ea551ccdc1f47654faef6
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,618
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'Me_dL', 'P', 'dL', 'F']
51
3619
-5.6
-5.6
Circle
5
-1.87e-16
-2.702295707
-1.42e-16
-2.857569688
1.85e-17
-1.134956894
1.47e-15
-0.249287762
2.611520038
4700.535999
124.0
null
null
100.511107
93.9882332
28.9882332
54.11516627
47.57182536
15.17739817
10.20058011
10.20058011
6.359476033
6.359476033
3.995892473
3.995892473
null
null
null
null
321.097746
31.60961384
33.56176029
0
0
0
0
0
0
0.0
57.57185936
827.4945474
0.75
1.35
2.0
0.586956522
123.0
PEPTIDE3619{[dP].[Pr_Gly].[Bn_Gly].[Me_dL].P.[dL].F}$PEPTIDE3619,PEPTIDE3619,1:R1-7:R2$$$
PEPTIDE3619{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3619,PEPTIDE3619,1:R1-7:R2$$$
-5.27
60
762.548
3619
null
null
2.36e+41
10.32069879
21.30934991
11.7190382
446.3477789
null
16.75376747
0.342504271
16.75376747
0.245675664
1.812934712
0.245675664
-7.07506647
-0.342504271
3.3809
227.6754
828.068
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
326
hepta_42
-5.6
3.970500553
1.163386938
35.11917536
36.58632203
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
96.9080499
35.28278936
null
-5.6
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(Cc2ccccc2)CC(=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]2C1=O
122.7432335
41.35025811
0.0
35.11917536
11.78791537
121.8291818
39.46012532
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'Me_dL', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 1.3173, 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
135.3993944
46.43154487
11.78791537
176.3546269
60.42418708
2.823684157
0.0
0
2020_Townsend
3619
null
159.75
31.45
578.7412756
0.0
103.4595665
-5.242762091
-5.468861144
-43.43729793
-55.39005744
-48.30936455
-70.93583231
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
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
0.371848608
null
7b027a1031ef570eeecfcfb569b1c7538131550bf60a2f200a99a410ef6af89a
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,619
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'meL', 'P', 'meL', 'F']
49
3620
-4.96
-4.96
Circle
1
-2.79e-16
-2.727340681
-2.63e-16
-2.848153499
-1.04e-16
-1.136011021
5.23e-16
-0.249287767
3.215273717
4634.65073
105.0
null
null
105.5470054
99.4882332
28.4882332
55.65106466
50.09821857
14.65100497
10.04918691
10.04918691
6.311355714
6.311355714
3.962631464
3.962631464
null
null
null
null
317.8587911
34.31004743
33.56176029
0
0
0
0
0
0
0.0
63.05489358
821.5414976
0.745762712
1.288135593
1.86440678
0.711111111
105.0
PEPTIDE3620{[dP].[Pr_Gly].[Me_dL].[meL].P.[meL].F}$PEPTIDE3620,PEPTIDE3620,1:R1-7:R2$$$
PEPTIDE3620{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3620,PEPTIDE3620,1:R1-7:R2$$$
-4.49
59
750.537
3620
null
null
2.89e+43
9.450879737
21.15641221
11.62558706
451.6971332
null
17.08182177
0.342180206
17.08182177
0.245675665
1.898380802
0.245675665
-7.50271087
-0.342180206
3.5674
226.4567
822.105
Circle
7
7
null
1
14
null
null
0
3
3
1
0
1
7
1
14
0
20
0
3
3
328
hepta_43
-4.96
2.915916108
-0.038480107
34.70927174
36.10735481
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
78.17533836
74.22872376
124.9242224
24.31672091
null
-4.96
null
null
null
null
null
null
null
null
null
null
4
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=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]2C1=O
130.9267013
41.35025811
0.0
34.70927174
17.68187306
141.4269237
46.91491944
35.77554503
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'meL', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
200.4631945
30.21209354
1.411842078
0.0
0
2020_Townsend
3620
null
150.96
80.76
632.4179832
0.0
101.3220905
-2.740780564
-2.869291509
-52.41091208
-54.13195492
-57.07151272
-84.8489553
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
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
0.379469306
null
90ab85c8cc4f951d4b585f1ab7ee511e55df2f8bad10d07cda5be9948501859b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,620
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'dL', 'P', 'Bn_Gly', 'F']
49
3621
-6.36
-6.36
Circle
8
-2.43e-16
-2.713922197
-1.06e-16
-2.849340844
1.42e-17
-1.135661617
1.87e-15
-0.249287767
2.615463999
4700.535999
110.0
null
null
100.511107
93.9882332
28.9882332
54.11516627
47.57182536
15.17739817
10.20058011
10.20058011
6.359476033
6.359476033
4.023843323
4.023843323
null
null
null
null
321.097746
31.60961384
33.56176029
0
0
0
0
0
0
0.0
57.57185936
827.4945474
0.766666667
1.35
1.95
0.586956522
110.0
PEPTIDE3621{[dP].[Pr_Gly].[meL].[dL].P.[Bn_Gly].F}$PEPTIDE3621,PEPTIDE3621,1:R1-7:R2$$$
PEPTIDE3621{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3621,PEPTIDE3621,1:R1-7:R2$$$
-5.27
60
762.548
3621
null
null
1.11e+41
10.32069879
21.30934991
11.7190382
446.3477789
null
16.77347855
0.34249608
16.77347855
0.245675463
1.784151105
0.245675463
-7.185677976
-0.34249608
3.3809
227.6754
828.068
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
326
hepta_44
-6.36
4.012773495
1.309833891
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
96.9080499
41.77964905
null
-6.36
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[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]2C1=O
122.7432335
41.35025811
0.0
35.11917536
11.78791537
121.8291818
39.46012532
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
176.3546269
60.42418708
2.823684157
0.0
0
2020_Townsend
3621
null
159.75
6.29
578.7220613
0.0
103.4601226
-5.243318189
-5.337578084
-43.60711155
-55.07723396
-48.38714187
-71.11313358
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
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
0.371848608
null
49c2655aa84d24c7721839c433a51a558bc2f3cbe1129dd36543d8e6fe876c86
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,621
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'meL', 'P', 'Bn_Gly', 'F']
49
3622
-5.36
-5.36
Circle
6
-2.18e-16
-2.717931349
-1.14e-16
-2.84788271
1.13e-16
-1.135756046
1.9e-15
-0.249287767
2.617045627
4700.535999
123.0
null
null
100.511107
93.9882332
28.9882332
54.11516627
47.57182536
15.17739817
10.20058011
10.20058011
6.359476033
6.359476033
4.051794172
4.051794172
null
null
null
null
321.097746
31.60961384
33.56176029
0
0
0
0
0
0
0.0
57.57185936
827.4945474
0.733333333
1.283333333
1.883333333
0.586956522
120.0
PEPTIDE3622{[dP].[Pr_Gly].[dL].[meL].P.[Bn_Gly].F}$PEPTIDE3622,PEPTIDE3622,1:R1-7:R2$$$
PEPTIDE3622{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3622,PEPTIDE3622,1:R1-7:R2$$$
-5.27
60
762.548
3622
null
null
9.02e+41
10.32069879
21.30934991
11.7190382
446.3477789
null
16.95747739
0.342747938
16.95747739
0.245675463
1.77964369
0.245675463
-7.252843174
-0.342747938
3.3809
227.6754
828.068
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
326
hepta_45
-5.36
3.873243942
1.352641409
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
96.9080499
41.77964905
null
-5.36
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
122.7432335
41.35025811
0.0
35.11917536
11.78791537
121.8291818
39.46012532
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'meL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
176.3546269
60.42418708
2.823684157
0.0
0
2020_Townsend
3622
null
159.75
47.81
578.9791719
0.0
103.3956544
-5.178849995
-5.346073514
-43.65224158
-55.19646427
-48.42340281
-71.16112749
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
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
0.371848608
null
83f534a786d36ac112107b985b13b3611aa73fb5d7442ec61d238cf302dd391d
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,622
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'L', 'P', 'Me_dL', 'F']
50
3623
-5.51
-5.51
Circle
5
-2.58e-16
-2.703165936
-1.67e-16
-2.848862063
3.95e-17
-1.134960528
1.72e-15
-0.249287762
2.614129753
4700.535999
121.0
null
null
100.511107
93.9882332
28.9882332
54.11516627
47.57182536
15.17739817
10.20058011
10.20058011
6.359476033
6.359476033
4.023843323
4.023843323
null
null
null
null
321.097746
31.60961384
33.56176029
0
0
0
0
0
0
0.0
57.57185936
827.4945474
0.766666667
1.366666667
1.983333333
0.586956522
122.0
PEPTIDE3623{[dP].[Pr_Gly].[Bn_Gly].L.P.[Me_dL].F}$PEPTIDE3623,PEPTIDE3623,1:R1-7:R2$$$
PEPTIDE3623{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3623,PEPTIDE3623,1:R1-7:R2$$$
-5.27
60
762.548
3623
null
null
5.4e+41
10.32069879
21.30934991
11.7190382
446.3477789
null
16.8336337
0.342747538
16.8336337
0.245675665
1.787743722
0.245675665
-7.114453705
-0.342747538
3.3809
227.6754
828.068
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
326
hepta_46
-5.51
4.077876901
1.316257709
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
96.9080499
41.77964905
null
-5.51
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(Cc2ccccc2)CC(=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]2C1=O
122.7432335
41.35025811
0.0
35.11917536
11.78791537
121.8291818
39.46012532
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'L', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
176.3546269
60.42418708
2.823684157
0.0
0
2020_Townsend
3623
null
159.75
37.18
578.8835624
0.0
103.4947069
-5.277902466
-5.457524064
-43.45636837
-55.57558427
-48.49067457
-70.70354893
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
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
0.371848608
null
769e408ff0fd5f4aa20ebaa9e27dbc566f9fdab3cfb1a167e21a05f8ff55f8d8
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,623
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'L', 'P', 'Bn_Gly', 'F']
50
3624
-4.96
-4.96
Circle
3
-2.43e-16
-2.713922197
-1.06e-16
-2.849340844
1.42e-17
-1.135661617
1.87e-15
-0.249287767
2.615463999
4700.535999
111.0
null
null
100.511107
93.9882332
28.9882332
54.11516627
47.57182536
15.17739817
10.20058011
10.20058011
6.359476033
6.359476033
4.023843323
4.023843323
null
null
null
null
321.097746
31.60961384
33.56176029
0
0
0
0
0
0
0.0
57.57185936
827.4945474
0.766666667
1.35
1.95
0.586956522
108.0
PEPTIDE3624{[dP].[Pr_Gly].[Me_dL].L.P.[Bn_Gly].F}$PEPTIDE3624,PEPTIDE3624,1:R1-7:R2$$$
PEPTIDE3624{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3624,PEPTIDE3624,1:R1-7:R2$$$
-5.27
60
762.548
3624
null
null
1.11e+41
10.32069879
21.30934991
11.7190382
446.3477789
null
16.77347855
0.34249608
16.77347855
0.245675463
1.784151105
0.245675463
-7.185677976
-0.34249608
3.3809
227.6754
828.068
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
326
hepta_47
-4.96
4.012773495
1.309833891
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
96.9080499
41.77964905
null
-4.96
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=O)N[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]2C1=O
122.7432335
41.35025811
0.0
35.11917536
11.78791537
121.8291818
39.46012532
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'L', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
176.3546269
60.42418708
2.823684157
0.0
0
2020_Townsend
3624
null
159.75
80.51
578.7220613
0.0
103.4601226
-5.243318189
-5.337578084
-43.60711155
-55.07723396
-48.38714187
-71.11313358
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
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
0.371848608
null
2fd84073e9fe915c9e08b515eb61ec663dddeb9a24dcc6ab3f26ed1b6013859a
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,624
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'Me_dL', 'P', 'Bn_Gly', 'F']
50
3625
-5.64
-5.64
Circle
1
-2.18e-16
-2.717931349
-1.14e-16
-2.84788271
1.13e-16
-1.135756046
1.9e-15
-0.249287767
2.617045627
4700.535999
119.0
null
null
100.511107
93.9882332
28.9882332
54.11516627
47.57182536
15.17739817
10.20058011
10.20058011
6.359476033
6.359476033
4.051794172
4.051794172
null
null
null
null
321.097746
31.60961384
33.56176029
0
0
0
0
0
0
0.0
57.57185936
827.4945474
0.733333333
1.283333333
1.883333333
0.586956522
118.0
PEPTIDE3625{[dP].[Pr_Gly].L.[Me_dL].P.[Bn_Gly].F}$PEPTIDE3625,PEPTIDE3625,1:R1-7:R2$$$
PEPTIDE3625{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3625,PEPTIDE3625,1:R1-7:R2$$$
-5.27
60
762.548
3625
null
null
9.02e+41
10.32069879
21.30934991
11.7190382
446.3477789
null
16.95747739
0.342747938
16.95747739
0.245675463
1.77964369
0.245675463
-7.252843174
-0.342747938
3.3809
227.6754
828.068
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
326
hepta_48
-5.64
3.873243942
1.352641409
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
96.9080499
41.77964905
null
-5.64
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
122.7432335
41.35025811
0.0
35.11917536
11.78791537
121.8291818
39.46012532
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'Me_dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
176.3546269
60.42418708
2.823684157
0.0
0
2020_Townsend
3625
null
159.75
28.94
578.9791719
0.0
103.3956544
-5.178849995
-5.346073514
-43.65224158
-55.19646427
-48.42340281
-71.16112749
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
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
0.371848608
null
da13ab8df40f9cbb821942064f62ff6265418a5f2d18e87d893680c9014363c5
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,627
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'meL', 'P', 'Bn_Gly', 'F']
48
3628
-5.2
-5.2
Circle
1
-2.18e-16
-2.717931349
-1.14e-16
-2.84788271
1.13e-16
-1.135756046
1.9e-15
-0.249287767
2.617045627
4700.535999
123.0
null
null
100.511107
93.9882332
28.9882332
54.11516627
47.57182536
15.17739817
10.20058011
10.20058011
6.359476033
6.359476033
4.051794172
4.051794172
null
null
null
null
321.097746
31.60961384
33.56176029
0
0
0
0
0
0
0.0
57.57185936
827.4945474
0.733333333
1.283333333
1.883333333
0.586956522
121.0
PEPTIDE3628{[dP].[Pr_Gly].L.[meL].P.[Bn_Gly].F}$PEPTIDE3628,PEPTIDE3628,1:R1-7:R2$$$
PEPTIDE3628{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3628,PEPTIDE3628,1:R1-7:R2$$$
-5.27
60
762.548
3628
null
null
9.02e+41
10.32069879
21.30934991
11.7190382
446.3477789
null
16.95747739
0.342747938
16.95747739
0.245675463
1.77964369
0.245675463
-7.252843174
-0.342747938
3.3809
227.6754
828.068
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
16
0
3
3
326
hepta_51
-5.2
3.873243942
1.352641409
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
96.9080499
41.77964905
null
-5.2
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@@H](CC(C)C)C(=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]2C1=O
122.7432335
41.35025811
0.0
35.11917536
11.78791537
121.8291818
39.46012532
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'meL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
176.3546269
60.42418708
2.823684157
0.0
0
2020_Townsend
3628
null
159.75
61.01
578.9791719
0.0
103.3956544
-5.178849995
-5.346073514
-43.65224158
-55.19646427
-48.42340281
-71.16112749
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
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
0.371848608
null
e10fe87863371560507e15ca97d7d7e2943ac61c63a43230016146206c7ead17
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,628
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'Me_dL', 'P', 'Bn_Gly', 'F']
54
3629
-5.33
-5.33
Circle
4
-2.86e-16
-2.726529073
-1.53e-16
-2.838069093
3.13e-17
-1.136010056
1.41e-15
-0.249287767
2.673539723
4810.143509
103.0
null
null
103.011107
96.4882332
29.4882332
55.32649114
48.84821857
15.40100497
10.42418691
10.42418691
6.572824678
6.572824678
4.152566795
4.152566795
null
null
null
null
327.6636693
32.93928887
33.56176029
0
0
0
0
0
0
0.0
58.94261792
841.5101975
0.737704918
1.295081967
1.868852459
0.595744681
100.0
PEPTIDE3629{[dP].[Pr_Gly].[Me_dL].[Me_dL].P.[Bn_Gly].F}$PEPTIDE3629,PEPTIDE3629,1:R1-7:R2$$$
PEPTIDE3629{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3629,PEPTIDE3629,1:R1-7:R2$$$
-5.27
61
774.559
3629
null
null
9.5e+42
10.39396068
21.49777345
11.7649724
455.6745769
null
17.09014521
0.342431664
17.09014521
0.245675463
1.802039524
0.245675463
-7.401302976
-0.342431664
3.7231
232.3027
842.095
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
17
0
3
3
332
hepta_52
-5.33
3.773767038
1.489536896
34.70927174
30.08946234
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
107.9961525
41.77964905
null
-5.33
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=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]2C1=O
125.4436671
41.35025811
0.0
34.70927174
11.78791537
121.8291818
46.43595222
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'Me_dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
180.4669026
60.42418708
1.411842078
0.0
0
2020_Townsend
3629
null
150.96
50.06
599.3954641
0.0
101.5260262
-2.433236105
-5.408034504
-44.58060767
-56.07532775
-49.14211161
-78.61550596
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
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
0.38341763
null
92e160234f16c4540775818f69ace8fcd5f81bd42671737012e84cb207c7deba
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,629
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'bHph', 'P', 'Me_dL', 'F']
49
3630
-5.9
-5.9
Circle
4
-2.35e-16
-2.702845834
-1.82e-16
-2.861579014
-3.31e-17
-1.13498946
1.42e-15
-0.249287763
2.609337397
4819.653284
107.0
null
null
103.011107
96.4882332
29.4882332
55.40384141
48.79543216
15.45379138
10.35197332
10.35197332
6.407416578
6.407416578
4.054836218
4.054836218
null
null
null
null
327.2776726
28.90918025
33.56176029
0
0
0
0
0
0
0.0
63.05489358
841.5101975
0.770491803
1.393442623
2.032786885
0.595744681
106.0
PEPTIDE3630{[dP].[Pr_Gly].[dL].[bHph].P.[Me_dL].F}$PEPTIDE3630,PEPTIDE3630,1:R1-7:R2$$$
PEPTIDE3630{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3630,PEPTIDE3630,1:R1-7:R2$$$
-5.27
61
774.559
3630
null
null
6.96e+42
10.39396068
22.00820975
12.63834575
455.3707472
null
16.80443776
0.350730367
16.80443776
0.245675665
1.827239805
0.245675665
-7.107724883
-0.350730367
3.4697
232.5101
842.095
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
16
0
3
3
332
hepta_53
-5.9
3.48404148
1.059332156
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
73.89821756
108.2850418
31.1705137
null
-5.9
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
125.5258341
41.35025811
0.0
35.52907898
11.78791537
134.0960644
32.96326564
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'bHph', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
184.0983104
60.42418708
4.235526235
0.0
0
2020_Townsend
3630
null
168.54
17.08
598.03261
0.0
105.550266
-7.890166487
-5.56096511
-43.51846359
-62.50690712
-61.08658113
-58.35312584
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
0.329491408
null
f1443e66c1299e469df3a432786a7627266aec8781f24b5d944464df02ebe837
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,630
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'Me_dL', 'P', 'Me_dL', 'F']
54
3631
-5.57
-5.57
Circle
4
-2.2e-16
-2.708209303
-1.9e-16
-2.847646938
8.22e-17
-1.135165428
1.07e-15
-0.249287762
2.668313638
4810.143509
98.0
null
null
103.011107
96.4882332
29.4882332
55.32649114
48.84821857
15.40100497
10.42418691
10.42418691
6.572824678
6.572824678
4.124615946
4.124615946
null
null
null
null
327.6636693
38.42232309
33.56176029
0
0
0
0
0
0
0.0
53.45958369
841.5101975
0.737704918
1.31147541
1.918032787
0.595744681
94.0
PEPTIDE3631{[dP].[Pr_Gly].[Bn_Gly].[Me_dL].P.[Me_dL].F}$PEPTIDE3631,PEPTIDE3631,1:R1-7:R2$$$
PEPTIDE3631{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3631,PEPTIDE3631,1:R1-7:R2$$$
-5.27
61
774.559
3631
null
null
7.94e+42
10.39396068
21.49777345
11.7649724
455.6745769
null
16.91196093
0.342180206
16.91196093
0.245675665
1.83288835
0.245675665
-7.180657409
-0.342180206
3.7231
232.3027
842.095
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
17
0
3
3
332
hepta_54
-5.57
3.835717058
1.361994561
34.70927174
36.58632203
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
107.9961525
35.28278936
null
-5.57
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(Cc2ccccc2)CC(=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]2C1=O
125.4436671
41.35025811
0.0
34.70927174
11.78791537
121.8291818
46.43595222
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'Me_dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
180.4669026
60.42418708
1.411842078
0.0
0
2020_Townsend
3631
null
150.96
32.99
599.1569231
0.0
101.777916
-2.685125979
-5.562555243
-44.35157259
-56.53453854
-49.13861952
-77.99576064
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
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
0.38341763
null
021afaa7810ed90642e60d0edaeab1573a8d2c1334d84ab21ec45e9c43f7bd76
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,631
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'bHph', 'P', 'dL', 'F']
47
3632
-5.94
-5.94
Circle
7
-2.09e-16
-2.708264211
-1.53e-16
-2.862162324
3.12e-17
-1.134991628
9.07e-16
-0.249287763
2.606349191
4819.653284
132.0
null
null
103.011107
96.4882332
29.4882332
55.40384141
48.79543216
15.45379138
10.35197332
10.35197332
6.407416578
6.407416578
4.026885368
4.026885368
null
null
null
null
327.2776726
31.65069736
33.56176029
0
0
0
0
0
0
0.0
60.31337647
841.5101975
0.754098361
1.37704918
2.032786885
0.595744681
130.0
PEPTIDE3632{[dP].[Pr_Gly].[meL].[bHph].P.[dL].F}$PEPTIDE3632,PEPTIDE3632,1:R1-7:R2$$$
PEPTIDE3632{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3632,PEPTIDE3632,1:R1-7:R2$$$
-5.27
61
774.559
3632
null
null
4.62e+42
10.39396068
22.00820975
12.63834575
455.3707472
null
16.75885671
0.350723941
16.75885671
0.245675664
1.836861455
0.245675664
-7.092780967
-0.350723941
3.4697
232.5101
842.095
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
16
0
3
3
332
hepta_55
-5.94
3.454343857
1.088948869
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
73.89821756
108.2850418
31.1705137
null
-5.94
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](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]2C1=O
125.5258341
41.35025811
0.0
35.52907898
11.78791537
134.0960644
32.96326564
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'bHph', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
184.0983104
60.42418708
4.235526235
0.0
0
2020_Townsend
3632
null
168.54
15.67
597.9058085
0.0
105.4877785
-7.843733658
-5.548950413
-43.50184331
-62.30174487
-60.96378348
-58.56686463
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
0.329491408
null
3948212d2703e81720a21122fc7773006fe9d11bc43a4149cbec77347fbd728e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,633
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'Me_dL', 'P', 'Bn_Gly', 'F']
52
3634
-5.27
-5.27
Circle
7
-2.86e-16
-2.726529073
-1.53e-16
-2.838069093
3.13e-17
-1.136010056
1.41e-15
-0.249287767
2.673539723
4810.143509
106.0
null
null
103.011107
96.4882332
29.4882332
55.32649114
48.84821857
15.40100497
10.42418691
10.42418691
6.572824678
6.572824678
4.152566795
4.152566795
null
null
null
null
327.6636693
32.93928887
33.56176029
0
0
0
0
0
0
0.0
58.94261792
841.5101975
0.737704918
1.295081967
1.868852459
0.595744681
105.0
PEPTIDE3634{[dP].[Pr_Gly].[meL].[Me_dL].P.[Bn_Gly].F}$PEPTIDE3634,PEPTIDE3634,1:R1-7:R2$$$
PEPTIDE3634{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3634,PEPTIDE3634,1:R1-7:R2$$$
-5.27
61
774.559
3634
null
null
9.5e+42
10.39396068
21.49777345
11.7649724
455.6745769
null
17.09014521
0.342431664
17.09014521
0.245675463
1.802039524
0.245675463
-7.401302976
-0.342431664
3.7231
232.3027
842.095
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
17
0
3
3
332
hepta_57
-5.27
3.773767038
1.489536896
34.70927174
30.08946234
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
107.9961525
41.77964905
null
-5.27
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=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]2C1=O
125.4436671
41.35025811
0.0
34.70927174
11.78791537
121.8291818
46.43595222
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'Me_dL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
180.4669026
60.42418708
1.411842078
0.0
0
2020_Townsend
3634
null
150.96
55.48
599.3954641
0.0
101.5260262
-2.433236105
-5.408034504
-44.58060767
-56.07532775
-49.14211161
-78.61550596
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
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
0.38341763
null
b2b54bf1ee95c116730ecb7e56cd50672485c00ba088263c838ffacf76f0a325
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,634
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'Bn_Gly', 'P', 'meL', 'F']
52
3635
-5.09
-5.09
Circle
3
-2.55e-16
-2.705559521
-1.65e-16
-2.846164464
5.43e-17
-1.135203807
1.21e-15
-0.249287762
2.668731259
4810.143509
104.0
null
null
103.011107
96.4882332
29.4882332
55.32649114
48.84821857
15.40100497
10.42418691
10.42418691
6.572824678
6.572824678
4.124615946
4.124615946
null
null
null
null
327.6636693
35.68080598
33.56176029
0
0
0
0
0
0
0.0
56.2011008
841.5101975
0.737704918
1.327868852
1.950819672
0.595744681
105.0
PEPTIDE3635{[dP].[Pr_Gly].[Me_dL].[Bn_Gly].P.[meL].F}$PEPTIDE3635,PEPTIDE3635,1:R1-7:R2$$$
PEPTIDE3635{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3635,PEPTIDE3635,1:R1-7:R2$$$
-5.27
61
774.559
3635
null
null
6.13e+42
10.39396068
21.49777345
11.7649724
455.6745769
null
17.08186428
0.342180206
17.08186428
0.245675665
1.856668042
0.245675665
-7.218224135
-0.342180206
3.7231
232.3027
842.095
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
17
0
3
3
332
hepta_58
-5.09
3.806255276
1.345051751
34.70927174
36.58632203
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
107.9961525
35.28278936
null
-5.09
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
125.4436671
41.35025811
0.0
34.70927174
11.78791537
121.8291818
46.43595222
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'Bn_Gly', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
180.4669026
60.42418708
1.411842078
0.0
0
2020_Townsend
3635
null
150.96
70.04
599.3136979
0.0
101.7477785
-2.65498849
-5.632058237
-44.33340617
-56.59146681
-48.98121632
-78.20167375
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
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
0.38341763
null
ff7d241419973d01de258ebd0691d93372d4499bf3afac6c73ec5637f81f7477
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,635
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'bHph', 'P', 'Me_dL', 'F']
48
3636
-5.44
-5.44
Circle
2
-2.35e-16
-2.702845834
-1.82e-16
-2.861579014
-3.31e-17
-1.13498946
1.42e-15
-0.249287763
2.609337397
4819.653284
134.0
null
null
103.011107
96.4882332
29.4882332
55.40384141
48.79543216
15.45379138
10.35197332
10.35197332
6.407416578
6.407416578
4.054836218
4.054836218
null
null
null
null
327.2776726
28.90918025
33.56176029
0
0
0
0
0
0
0.0
63.05489358
841.5101975
0.770491803
1.393442623
2.032786885
0.595744681
130.0
PEPTIDE3636{[dP].[Pr_Gly].L.[bHph].P.[Me_dL].F}$PEPTIDE3636,PEPTIDE3636,1:R1-7:R2$$$
PEPTIDE3636{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3636,PEPTIDE3636,1:R1-7:R2$$$
-5.27
61
774.559
3636
null
null
6.96e+42
10.39396068
22.00820975
12.63834575
455.3707472
null
16.80443776
0.350730367
16.80443776
0.245675665
1.827239805
0.245675665
-7.107724883
-0.350730367
3.4697
232.5101
842.095
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
16
0
3
3
332
hepta_59
-5.44
3.48404148
1.059332156
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
73.89821756
108.2850418
31.1705137
null
-5.44
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
125.5258341
41.35025811
0.0
35.52907898
11.78791537
134.0960644
32.96326564
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'bHph', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
184.0983104
60.42418708
4.235526235
0.0
0
2020_Townsend
3636
null
168.54
42.1
598.03261
0.0
105.550266
-7.890166487
-5.56096511
-43.51846359
-62.50690712
-61.08658113
-58.35312584
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
0.329491408
null
dda11c9229934f113fb7abdedeb8f774d4b79da231e13065cca8f259bc1340e5
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,636
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
52
3637
-5.84
-5.84
Circle
9
-1.55e-16
-2.688747129
-1.86e-17
-2.834266632
3.64e-16
-1.133168668
10.12033337
-0.24928195
2.233258583
4875.912689
125.0
null
null
97.97520861
90.9882332
29.9882332
53.79059275
46.32182536
15.92739817
10.57558011
10.57558011
6.620944997
6.620944997
4.213778654
4.213778654
null
null
null
null
330.9026243
30.23885528
33.56176029
0
0
0
0
0
0
0.0
53.45958369
847.4632473
0.677419355
1.177419355
1.758064516
0.479166667
123.0
PEPTIDE3637{[dP].[Pr_Gly].[dL].[Bn_Gly].P.[Bn_Gly].F}$PEPTIDE3637,PEPTIDE3637,1:R1-7:R2$$$
PEPTIDE3637{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3637,PEPTIDE3637,1:R1-7:R2$$$
-6.05
62
786.57
3637
null
null
1.72e+39
11.35983112
21.65004646
11.85634717
450.3252227
null
16.77030663
0.342747692
16.77030663
0.245675463
1.72923071
0.245675463
-6.858295252
-0.342747692
3.5366
233.5214
848.058
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
13
0
3
3
330
hepta_60
-5.84
4.932984621
3.163908236
35.11917536
30.56842956
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
111.191957
60.82186157
79.97998001
52.7457175
null
-5.84
null
null
null
null
null
null
null
null
null
null
6
CCCN1CC(=O)N[C@H](CC(C)C)C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
117.2601993
41.35025811
0.0
35.11917536
5.893957685
102.2314399
38.98115811
107.3266351
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
156.358335
90.63628061
2.823684157
0.0
0
2020_Townsend
3637
null
159.75
19.32
545.8645695
0.0
103.6498007
-4.921516155
-7.845578232
-35.8508189
-57.09094398
-40.66642382
-64.72242239
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
0
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
0.316081701
null
cafee3db93162d48cd68f5cce3444d04f082bb272bcc0773952893e709e80cee
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,637
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'meL', 'P', 'Bn_Gly', 'F']
50
3638
-5.61
-5.61
Circle
5
-2.86e-16
-2.726529073
-1.53e-16
-2.838069093
3.13e-17
-1.136010056
1.41e-15
-0.249287767
2.673539723
4810.143509
106.0
null
null
103.011107
96.4882332
29.4882332
55.32649114
48.84821857
15.40100497
10.42418691
10.42418691
6.572824678
6.572824678
4.152566795
4.152566795
null
null
null
null
327.6636693
32.93928887
33.56176029
0
0
0
0
0
0
0.0
58.94261792
841.5101975
0.737704918
1.295081967
1.868852459
0.595744681
105.0
PEPTIDE3638{[dP].[Pr_Gly].[meL].[meL].P.[Bn_Gly].F}$PEPTIDE3638,PEPTIDE3638,1:R1-7:R2$$$
PEPTIDE3638{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3638,PEPTIDE3638,1:R1-7:R2$$$
-5.27
61
774.559
3638
null
null
9.5e+42
10.39396068
21.49777345
11.7649724
455.6745769
null
17.09014521
0.342431664
17.09014521
0.245675463
1.802039524
0.245675463
-7.401302976
-0.342431664
3.7231
232.3027
842.095
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
17
0
3
3
332
hepta_61
-5.61
3.773767038
1.489536896
34.70927174
30.08946234
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
107.9961525
41.77964905
null
-5.61
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=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]2C1=O
125.4436671
41.35025811
0.0
34.70927174
11.78791537
121.8291818
46.43595222
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'meL', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
180.4669026
60.42418708
1.411842078
0.0
0
2020_Townsend
3638
null
150.96
31.0
599.3954641
0.0
101.5260262
-2.433236105
-5.408034504
-44.58060767
-56.07532775
-49.14211161
-78.61550596
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
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
0.38341763
null
1e66a809f965b241027ce1a96453d316470a70ffe5f5f43cac242f9a4bf507ab
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,638
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'Bn_Gly', 'P', 'meL', 'F']
50
3639
-5.13
-5.13
Circle
9
-2.55e-16
-2.705559521
-1.65e-16
-2.846164464
5.43e-17
-1.135203807
1.21e-15
-0.249287762
2.668731259
4810.143509
99.0
null
null
103.011107
96.4882332
29.4882332
55.32649114
48.84821857
15.40100497
10.42418691
10.42418691
6.572824678
6.572824678
4.124615946
4.124615946
null
null
null
null
327.6636693
35.68080598
33.56176029
0
0
0
0
0
0
0.0
56.2011008
841.5101975
0.737704918
1.327868852
1.950819672
0.595744681
94.0
PEPTIDE3639{[dP].[Pr_Gly].[meL].[Bn_Gly].P.[meL].F}$PEPTIDE3639,PEPTIDE3639,1:R1-7:R2$$$
PEPTIDE3639{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3639,PEPTIDE3639,1:R1-7:R2$$$
-5.27
61
774.559
3639
null
null
6.13e+42
10.39396068
21.49777345
11.7649724
455.6745769
null
17.08186428
0.342180206
17.08186428
0.245675665
1.856668042
0.245675665
-7.218224135
-0.342180206
3.7231
232.3027
842.095
Circle
7
7
null
1
14
null
null
0
3
3
2
0
2
7
1
14
0
17
0
3
3
332
hepta_62
-5.13
3.806255276
1.345051751
34.70927174
36.58632203
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
67.52529266
107.9961525
35.28278936
null
-5.13
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
125.4436671
41.35025811
0.0
34.70927174
11.78791537
121.8291818
46.43595222
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'Bn_Gly', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
180.4669026
60.42418708
1.411842078
0.0
0
2020_Townsend
3639
null
150.96
66.61
599.3136979
0.0
101.7477785
-2.65498849
-5.632058237
-44.33340617
-56.59146681
-48.98121632
-78.20167375
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
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
0.38341763
null
38e90644f2da4dfdcbd6ec512eee7b3b5019d8f9db9083e47b12a85b1fac43c7
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,639
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'bHph', 'P', 'meL', 'F']
46
3640
-5.26
-5.26
Circle
2
-2.35e-16
-2.702845834
-1.82e-16
-2.861579014
-3.31e-17
-1.13498946
1.42e-15
-0.249287763
2.609337397
4819.653284
133.0
null
null
103.011107
96.4882332
29.4882332
55.40384141
48.79543216
15.45379138
10.35197332
10.35197332
6.407416578
6.407416578
4.054836218
4.054836218
null
null
null
null
327.2776726
28.90918025
33.56176029
0
0
0
0
0
0
0.0
63.05489358
841.5101975
0.770491803
1.393442623
2.032786885
0.595744681
131.0
PEPTIDE3640{[dP].[Pr_Gly].L.[bHph].P.[meL].F}$PEPTIDE3640,PEPTIDE3640,1:R1-7:R2$$$
PEPTIDE3640{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3640,PEPTIDE3640,1:R1-7:R2$$$
-5.27
61
774.559
3640
null
null
6.96e+42
10.39396068
22.00820975
12.63834575
455.3707472
null
16.80443776
0.350730367
16.80443776
0.245675665
1.827239805
0.245675665
-7.107724883
-0.350730367
3.4697
232.5101
842.095
Circle
7
7
null
3
14
null
null
0
3
3
2
0
2
7
3
14
0
16
0
3
3
332
hepta_63
-5.26
3.48404148
1.059332156
35.52907898
30.08946234
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
73.89821756
108.2850418
31.1705137
null
-5.26
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
125.5258341
41.35025811
0.0
35.52907898
11.78791537
134.0960644
32.96326564
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'bHph', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
184.0983104
60.42418708
4.235526235
0.0
0
2020_Townsend
3640
null
168.54
56.15
598.03261
0.0
105.550266
-7.890166487
-5.56096511
-43.51846359
-62.50690712
-61.08658113
-58.35312584
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
0.329491408
null
50f19cdaae92e033492a3bd95ef632ffe620a2c269d8882355784afd67182cc3
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,640
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'Bn_Gly', 'P', 'L', 'F']
51
3641
-6.34
-6.34
Circle
6
-1.21e-16
-2.683626446
-7.18e-17
-2.855738788
1.94e-16
-1.133229657
10.0996437
-0.249281951
2.231309721
4875.912689
127.0
null
null
97.97520861
90.9882332
29.9882332
53.79059275
46.32182536
15.92739817
10.57558011
10.57558011
6.620944997
6.620944997
4.157876955
4.157876955
null
null
null
null
330.9026243
35.7218895
33.56176029
0
0
0
0
0
0
0.0
47.97654947
847.4632473
0.677419355
1.193548387
1.774193548
0.479166667
117.0
PEPTIDE3641{[dP].[Pr_Gly].[Bn_Gly].[Bn_Gly].P.L.F}$PEPTIDE3641,PEPTIDE3641,1:R1-7:R2$$$
PEPTIDE3641{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3641,PEPTIDE3641,1:R1-7:R2$$$
-6.05
62
786.57
3641
null
null
6.46e+40
11.35983112
21.65004646
11.85634717
450.3252227
null
16.73513221
0.342504272
16.73513221
0.245675664
1.726509559
0.245675664
-6.734150743
-0.342504272
3.5366
233.5214
848.058
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
13
0
3
3
330
hepta_64
-6.34
4.772588037
2.999069659
35.11917536
37.06528924
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
111.191957
60.82186157
79.97998001
46.24885781
null
-6.34
null
null
null
null
null
null
null
null
null
null
6
CCCN1CC(=O)N(Cc2ccccc2)CC(=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]2C1=O
117.2601993
41.35025811
0.0
35.11917536
5.893957685
102.2314399
38.98115811
107.3266351
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'Bn_Gly', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 1.3173, 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
128.9025347
52.92840456
5.893957685
156.358335
90.63628061
2.823684157
0.0
0
2020_Townsend
3641
null
159.75
6.67
545.7151612
0.0
103.7345969
-5.006312397
-7.85392261
-35.77865162
-57.20283785
-40.74702955
-64.44433743
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
0
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
0.316081701
null
5a11e965191af657b9574f15e2bb122f6fbb6f9f9a4b28b8ed5c042c4bfdb353
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,641
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'L', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
51
3642
-5.62
-5.62
Circle
3
-1.55e-16
-2.688747129
-1.86e-17
-2.834266632
3.64e-16
-1.133168668
10.12033337
-0.24928195
2.233258583
4875.912689
111.0
null
null
97.97520861
90.9882332
29.9882332
53.79059275
46.32182536
15.92739817
10.57558011
10.57558011
6.620944997
6.620944997
4.213778654
4.213778654
null
null
null
null
330.9026243
30.23885528
33.56176029
0
0
0
0
0
0
0.0
53.45958369
847.4632473
0.677419355
1.177419355
1.758064516
0.479166667
121.0
PEPTIDE3642{[dP].[Pr_Gly].L.[Bn_Gly].P.[Bn_Gly].F}$PEPTIDE3642,PEPTIDE3642,1:R1-7:R2$$$
PEPTIDE3642{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3642,PEPTIDE3642,1:R1-7:R2$$$
-6.05
62
786.57
3642
null
null
1.72e+39
11.35983112
21.65004646
11.85634717
450.3252227
null
16.77030663
0.342747692
16.77030663
0.245675463
1.72923071
0.245675463
-6.858295252
-0.342747692
3.5366
233.5214
848.058
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
13
0
3
3
330
hepta_65
-5.62
4.932984621
3.163908236
35.11917536
30.56842956
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
111.191957
60.82186157
79.97998001
52.7457175
null
-5.62
null
null
null
null
null
null
null
null
null
null
6
CCCN1CC(=O)N[C@@H](CC(C)C)C(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
117.2601993
41.35025811
0.0
35.11917536
5.893957685
102.2314399
38.98115811
107.3266351
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'L', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
156.358335
90.63628061
2.823684157
0.0
0
2020_Townsend
3642
null
159.75
30.39
545.8645695
0.0
103.6498007
-4.921516155
-7.845578232
-35.8508189
-57.09094398
-40.66642382
-64.72242239
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
0
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
0.316081701
null
bd3604c0daf903799e26a67b592e331929ac9976613c54861012418f65672813
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,642
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Me_dL', 'bHph', 'P', 'Me_dL', 'F']
52
3643
-5.6
-5.6
Circle
7
-2.88e-16
-2.709845339
-2.58e-16
-2.855769465
3.41e-17
-1.135200382
1.08e-15
-0.249287763
2.661357277
4929.593412
114.0
null
null
105.511107
98.9882332
29.9882332
56.61516627
50.07182536
15.67739817
10.57558011
10.57558011
6.620765223
6.620765223
4.155608841
4.155608841
null
null
null
null
333.8435958
35.7218895
33.56176029
0
0
0
0
0
0
0.0
58.94261792
855.5258475
0.741935484
1.306451613
1.903225806
0.604166667
112.0
PEPTIDE3643{[dP].[Pr_Gly].[Me_dL].[bHph].P.[Me_dL].F}$PEPTIDE3643,PEPTIDE3643,1:R1-7:R2$$$
PEPTIDE3643{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3643,PEPTIDE3643,1:R1-7:R2$$$
-5.27
62
786.57
3643
null
null
8.93e+43
10.46911652
22.19224542
12.2154382
464.6975452
null
16.89152454
0.350723941
16.89152454
0.245675665
1.865692514
0.245675665
-7.142933493
-0.350723941
3.8119
237.1374
856.122
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
17
0
3
3
338
hepta_66
-5.6
3.351982163
1.250856169
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
73.89821756
119.3731444
31.1705137
null
-5.6
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
128.2262677
41.35025811
0.0
35.11917536
11.78791537
134.0960644
39.93909254
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Me_dL', 'bHph', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
188.210586
60.42418708
2.823684157
0.0
0
2020_Townsend
3643
null
159.75
31.06
618.2936776
0.0
103.886646
-5.374936998
-5.658958081
-44.37226492
-63.53103119
-61.91872403
-65.40774167
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
0.368012479
null
9062bd6202fdc98fb85730df637bb172f1c9dbe546ce16298fad88c49bd46e99
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,643
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'bHph', 'P', 'Me_dL', 'F']
50
3644
-5.77
-5.77
Circle
5
-2.88e-16
-2.709845339
-2.58e-16
-2.855769465
3.41e-17
-1.135200382
1.08e-15
-0.249287763
2.661357277
4929.593412
117.0
null
null
105.511107
98.9882332
29.9882332
56.61516627
50.07182536
15.67739817
10.57558011
10.57558011
6.620765223
6.620765223
4.155608841
4.155608841
null
null
null
null
333.8435958
35.7218895
33.56176029
0
0
0
0
0
0
0.0
58.94261792
855.5258475
0.741935484
1.306451613
1.903225806
0.604166667
120.0
PEPTIDE3644{[dP].[Pr_Gly].[meL].[bHph].P.[Me_dL].F}$PEPTIDE3644,PEPTIDE3644,1:R1-7:R2$$$
PEPTIDE3644{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3644,PEPTIDE3644,1:R1-7:R2$$$
-5.27
62
786.57
3644
null
null
8.93e+43
10.46911652
22.19224542
12.2154382
464.6975452
null
16.89152454
0.350723941
16.89152454
0.245675665
1.865692514
0.245675665
-7.142933493
-0.350723941
3.8119
237.1374
856.122
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
17
0
3
3
338
hepta_67
-5.77
3.351982163
1.250856169
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
73.89821756
119.3731444
31.1705137
null
-5.77
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
128.2262677
41.35025811
0.0
35.11917536
11.78791537
134.0960644
39.93909254
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'bHph', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
188.210586
60.42418708
2.823684157
0.0
0
2020_Townsend
3644
null
159.75
22.39
618.2936776
0.0
103.886646
-5.374936998
-5.658958081
-44.37226492
-63.53103119
-61.91872403
-65.40774167
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
0.368012479
null
eb7c4520853122fc35b3ba11160a4cdc264bedecfbdf33daaf21f25595ae576c
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,644
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'bHph', 'P', 'dL', 'F']
50
3645
-6.12
-6.12
Circle
5
-1.54e-16
-2.684804616
-6.7e-18
-2.858325278
2.34e-16
-1.13323109
7.17e-15
-0.249281951
2.22675028
4995.642667
139.0
null
null
100.4752086
93.4882332
30.4882332
55.07926789
47.54543216
16.20379138
10.72697332
10.72697332
6.668885542
6.668885542
4.2168207
4.2168207
null
null
null
null
337.0825508
38.50449014
33.56176029
0
0
0
0
0
0
0.0
47.97654947
861.4788974
0.714285714
1.317460317
1.968253968
0.489795918
127.0
PEPTIDE3645{[dP].[Pr_Gly].[Bn_Gly].[bHph].P.[dL].F}$PEPTIDE3645,PEPTIDE3645,1:R1-7:R2$$$
PEPTIDE3645{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3645,PEPTIDE3645,1:R1-7:R2$$$
-6.05
63
798.581
3645
null
null
2.35e+41
11.41882426
22.3458208
12.76469724
459.348191
null
16.76396573
0.350975418
16.76396573
0.245675664
1.740520176
0.245675664
-6.777221843
-0.350975418
3.6254
238.3561
862.085
Circle
7
7
null
3
14
null
null
0
3
3
3
0
3
7
3
14
0
13
0
3
3
336
hepta_68
-6.12
4.252275088
2.626642738
35.52907898
24.07156987
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
111.191957
67.19478647
91.35697192
48.63344183
null
-6.12
null
null
null
null
null
null
null
null
null
null
6
CCCN1CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
5.893957685
114.4983225
32.48429842
107.3266351
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'bHph', 'P', 'dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
164.1020185
90.63628061
4.235526235
0.0
0
2020_Townsend
3645
null
168.54
10.67
564.9053112
0.0
105.6054898
-7.407450058
-7.913689174
-35.95521325
-63.96130099
-53.124799
-52.48168185
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
0
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
0.280040332
null
97156e696fac66d3355121f99dd40b925169b1006b76ee40c66be57f475f3d5c
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,645
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'dL', 'bHph', 'P', 'Bn_Gly', 'F']
50
3646
-6.22
-6.22
Circle
3
-1.45e-16
-2.69270154
-4.08e-17
-2.85677812
2.9e-16
-1.13322546
3.5e-15
-0.24928195
2.229794242
4995.642667
117.0
null
null
100.4752086
93.4882332
30.4882332
55.07926789
47.54543216
16.20379138
10.72697332
10.72697332
6.668885542
6.668885542
4.244771549
4.244771549
null
null
null
null
337.0825508
33.02145591
33.56176029
0
0
0
0
0
0
0.0
53.45958369
861.4788974
0.714285714
1.253968254
1.873015873
0.489795918
118.0
PEPTIDE3646{[dP].[Pr_Gly].[dL].[bHph].P.[Bn_Gly].F}$PEPTIDE3646,PEPTIDE3646,1:R1-7:R2$$$
PEPTIDE3646{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3646,PEPTIDE3646,1:R1-7:R2$$$
-6.05
63
798.581
3646
null
null
4.61e+41
11.41882426
22.3458208
12.76469724
459.348191
null
16.68450396
0.350730367
16.68450396
0.245675463
1.744213807
0.245675463
-6.790119662
-0.350730367
3.6254
238.3561
862.085
Circle
7
7
null
3
14
null
null
0
3
3
3
0
3
7
3
14
0
13
0
3
3
336
hepta_69
-6.22
4.210037707
2.602954045
35.52907898
24.07156987
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
111.191957
67.19478647
91.35697192
48.63344183
null
-6.22
null
null
null
null
null
null
null
null
null
null
6
CCCN1CC(=O)N[C@H](CC(C)C)C(=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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
5.893957685
114.4983225
32.48429842
107.3266351
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'dL', 'bHph', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
164.1020185
90.63628061
4.235526235
0.0
0
2020_Townsend
3646
null
168.54
8.66
564.9137229
0.0
105.5890467
-7.458357796
-7.908734658
-35.90217305
-63.92567496
-53.19386968
-52.4472928
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
0
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
0.280040332
null
4fc5aac6afd7d6c913eb205cb07e119ae00724ad7e8f360a6c32a8983a660be3
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,646
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'bHph', 'P', 'meL', 'F']
48
3647
-5.12
-5.12
Circle
4
-2.88e-16
-2.709845339
-2.58e-16
-2.855769465
3.41e-17
-1.135200382
1.08e-15
-0.249287763
2.661357277
4929.593412
124.0
null
null
105.511107
98.9882332
29.9882332
56.61516627
50.07182536
15.67739817
10.57558011
10.57558011
6.620765223
6.620765223
4.155608841
4.155608841
null
null
null
null
333.8435958
35.7218895
33.56176029
0
0
0
0
0
0
0.0
58.94261792
855.5258475
0.741935484
1.306451613
1.903225806
0.604166667
122.0
PEPTIDE3647{[dP].[Pr_Gly].[meL].[bHph].P.[meL].F}$PEPTIDE3647,PEPTIDE3647,1:R1-7:R2$$$
PEPTIDE3647{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3647,PEPTIDE3647,1:R1-7:R2$$$
-5.27
62
786.57
3647
null
null
8.93e+43
10.46911652
22.19224542
12.2154382
464.6975452
null
16.89152454
0.350723941
16.89152454
0.245675665
1.865692514
0.245675665
-7.142933493
-0.350723941
3.8119
237.1374
856.122
Circle
7
7
null
2
14
null
null
0
3
3
2
0
2
7
2
14
0
17
0
3
3
338
hepta_70
-5.12
3.351982163
1.250856169
35.11917536
30.08946234
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
94.68364766
73.89821756
119.3731444
31.1705137
null
-5.12
null
null
null
null
null
null
null
null
null
null
5
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
128.2262677
41.35025811
0.0
35.11917536
11.78791537
134.0960644
39.93909254
71.55109006
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'bHph', 'P', 'meL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
188.210586
60.42418708
2.823684157
0.0
0
2020_Townsend
3647
null
159.75
68.02
618.2936776
0.0
103.886646
-5.374936998
-5.658958081
-44.37226492
-63.53103119
-61.91872403
-65.40774167
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
0.368012479
null
3676e6f7bbad9fdbff5ec9cd7bd02f0b97aa423914729ea755f6b53bc08e11ca
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,647
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'bHph', 'P', 'L', 'F']
49
3648
-10.0
-10
Circle
9
-1.54e-16
-2.684804616
-6.7e-18
-2.858325278
2.34e-16
-1.13323109
7.17e-15
-0.249281951
2.22675028
4995.642667
144.0
null
null
100.4752086
93.4882332
30.4882332
55.07926789
47.54543216
16.20379138
10.72697332
10.72697332
6.668885542
6.668885542
4.2168207
4.2168207
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
337.0825508
38.50449014
33.56176029
0
0
0
0
0
0
0.0
47.97654947
861.4788974
0.714285714
1.317460317
1.968253968
0.489795918
142.0
PEPTIDE3648{[dP].[Pr_Gly].[Bn_Gly].[bHph].P.L.F}$PEPTIDE3648,PEPTIDE3648,1:R1-7:R2$$$
PEPTIDE3648{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3648,PEPTIDE3648,1:R1-7:R2$$$
-6.05
63
798.581
3648
null
null
2.35e+41
11.41882426
22.3458208
12.76469724
459.348191
null
16.76396573
0.350975418
16.76396573
0.245675664
1.740520176
0.245675664
-6.777221843
-0.350975418
3.6254
238.3561
862.085
Circle
7
7
null
3
14
null
null
0
3
3
3
0
3
7
3
14
0
13
0
3
3
336
hepta_71
-10.0
4.252275088
2.626642738
35.52907898
24.07156987
4.235526235
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
111.191957
67.19478647
91.35697192
48.63344183
null
-10.0
null
null
null
null
null
null
null
null
null
null
6
CCCN1CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](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]2C1=O
120.0427999
41.35025811
0.0
35.52907898
5.893957685
114.4983225
32.48429842
107.3266351
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'bHph', 'P', 'L', 'F']
[0.2794999999999998, 0.5271000000000001, 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
164.1020185
90.63628061
4.235526235
0.0
0
2020_Townsend
3648
null
168.54
0.0
564.9053112
0.0
105.6054898
-7.407450058
-7.913689174
-35.95521325
-63.96130099
-53.124799
-52.48168185
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
0
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
0.280040332
null
a509e21a0a2752ee0317d624fc55b15ad61d1e806c37ef16bdf7672df1302130
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,648
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'bHph', 'P', 'Me_dL', 'F']
53
3649
-5.91
-5.91
Circle
4
-1.66e-16
-2.701145417
-2.18e-17
-2.849533486
2.42e-16
-1.133998099
3.12e-15
-0.249281958
2.27358619
5106.18187
110.0
null
null
102.9752086
95.9882332
30.9882332
56.29059275
48.82182536
16.42739817
10.95058011
10.95058011
6.882234186
6.882234186
4.345544172
4.345544172
null
null
null
null
343.6484741
39.83416517
33.56176029
0
0
0
0
0
0
0.0
49.34730802
875.4945474
0.75
1.359375
1.984375
0.5
109.0
PEPTIDE3649{[dP].[Pr_Gly].[Bn_Gly].[bHph].P.[Me_dL].F}$PEPTIDE3649,PEPTIDE3649,1:R1-7:R2$$$
PEPTIDE3649{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3649,PEPTIDE3649,1:R1-7:R2$$$
-6.05
64
810.592
3649
null
null
6.21e+42
11.48048715
22.5321174
12.35193598
468.6749889
null
16.89663355
0.350975418
16.89663355
0.245675665
1.760167459
0.245675665
-7.063680177
-0.350975418
3.9676
242.9834
876.112
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
14
0
3
3
342
hepta_72
-5.91
4.138145957
2.730231356
35.11917536
24.07156987
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
111.191957
67.19478647
102.4450745
48.63344183
null
-5.91
null
null
null
null
null
null
null
null
null
null
6
CCCN1CC(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
122.7432335
41.35025811
0.0
35.11917536
5.893957685
114.4983225
39.46012532
107.3266351
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'bHph', 'P', 'Me_dL', 'F']
[0.2794999999999998, 0.5271000000000001, 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
168.2142942
90.63628061
2.823684157
0.0
0
2020_Townsend
3649
null
159.75
16.83
585.2043565
0.0
104.0774418
-5.011737954
-8.049008634
-36.79042625
-65.24604141
-54.03921318
-59.22870415
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
0.31217856
null
4cc858e421bf41e756134ca4a0debe98996754289d7dce1482b07794712d399a
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,649
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'meL', 'bHph', 'P', 'Bn_Gly', 'F']
51
3650
-10.0
-10
Circle
1
-2.16e-16
-2.707841607
-8.22e-17
-2.847556894
1.74e-16
-1.133993383
3.71e-15
-0.249281957
2.276167408
5106.18187
111.0
null
null
102.9752086
95.9882332
30.9882332
56.29059275
48.82182536
16.42739817
10.95058011
10.95058011
6.882234186
6.882234186
4.345544172
4.345544172
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
343.6484741
39.83416517
33.56176029
0
0
0
0
0
0
0.0
49.34730802
875.4945474
0.75
1.34375
1.96875
0.5
117.0
PEPTIDE3650{[dP].[Pr_Gly].[meL].[bHph].P.[Bn_Gly].F}$PEPTIDE3650,PEPTIDE3650,1:R1-7:R2$$$
PEPTIDE3650{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/bHph/">[bHph]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3650,PEPTIDE3650,1:R1-7:R2$$$
-6.05
64
810.592
3650
null
null
2.05e+43
11.48048715
22.5321174
12.35193598
468.6749889
null
16.74604859
0.350723941
16.74604859
0.245675463
1.762102226
0.245675463
-7.076577995
-0.350723941
3.9676
242.9834
876.112
Circle
7
7
null
2
14
null
null
0
3
3
3
0
3
7
2
14
0
14
0
3
3
342
hepta_73
-10.0
4.159203058
2.736688545
35.11917536
24.07156987
2.823684157
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
111.191957
67.19478647
102.4450745
48.63344183
null
-10.0
null
null
null
null
null
null
null
null
null
null
6
CCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=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]2C1=O
122.7432335
41.35025811
0.0
35.11917536
5.893957685
114.4983225
39.46012532
107.3266351
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'meL', 'bHph', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 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
168.2142942
90.63628061
2.823684157
0.0
0
2020_Townsend
3650
null
159.75
0.0
585.1474985
0.0
103.9739077
-4.991609323
-8.03203942
-36.72869573
-65.01717779
-53.99514523
-59.44007203
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
0.31217856
null
ffd3be4a45e0a33604fe05f9647700d586ef54d07544f34ae640ceba5c1f6749
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,650
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'Pr_Gly', 'Bn_Gly', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
56
3651
-6.28
-6.28
Circle
8
-1.86e-16
-2.642973078
7.74e-17
-2.822255114
7.2e-16
-1.096750017
10.33008355
-0.248001611
1.988903312
5162.573613
115.0
null
null
97.93931023
90.4882332
31.4882332
54.6773441
46.34821857
16.90100497
11.17418691
11.17418691
7.095762605
7.095762605
4.476535759
4.476535759
null
null
null
null
347.2734257
38.42232309
33.56176029
0
0
0
0
0
0
0.0
42.49351524
881.4475972
0.569230769
1.0
1.523076923
0.392156863
113.0
PEPTIDE3651{[dP].[Pr_Gly].[Bn_Gly].[Bn_Gly].P.[Bn_Gly].F}$PEPTIDE3651,PEPTIDE3651,1:R1-7:R2$$$
PEPTIDE3651{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Pr_Gly/">[Pr_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3651,PEPTIDE3651,1:R1-7:R2$$$
-6.83
65
822.603
3651
null
null
4.38e+41
12.53214945
22.18466631
12.04986102
463.6294644
null
16.69793919
0.342431664
16.69793919
0.245675463
1.70221648
0.245675463
-6.51110953
-0.342431664
4.0345
243.9947
882.075
Circle
7
7
null
1
14
null
null
0
3
3
4
0
4
7
1
14
0
11
0
3
3
340
hepta_74
-6.28
5.665100094
4.84743929
34.70927174
31.04739677
1.411842078
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
127.7002663
54.11843047
74.14001269
63.71178595
null
-6.28
null
null
null
null
null
null
null
null
null
null
7
CCCN1CC(=O)N(Cc2ccccc2)CC(=O)N(Cc2ccccc2)CC(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C1=O
114.4775986
41.35025811
0.0
34.70927174
0.0
82.63369798
45.47801779
143.1021801
0
0.0
null
null
null
null
['dP', 'Pr_Gly', 'Bn_Gly', 'Bn_Gly', 'P', 'Bn_Gly', 'F']
[0.2794999999999998, 0.5271000000000001, 1.3173, 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
134.2814117
59.42526424
0.0
140.4743188
120.8483742
1.411842078
0.0
0
2020_Townsend
3651
null
150.96
7.54
532.7023065
0.0
102.4075397
-2.291789445
-10.2325442
-29.11591019
-59.66242427
-33.94324459
-65.19726683
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
0
0
0
0
0
0
0
0
7
0
0
0
0
0
0
4
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
0.252894975
null
36995e0377c43b21d1142031b9c5f1ecca4d24137e1bf165dc8e184c7d5cd17b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,651
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'dL', 'P', 'dL', 'F']
39
3652
-6.46
-6.46
Circle
7
-1.71e-16
-2.703775545
-1.63e-16
-2.868550446
-3.46e-17
-1.135354484
9.33e-16
-0.249287767
2.927614811
4086.295672
141.0
null
null
93.04700538
86.9882332
25.9882332
49.5557652
43.74264576
13.50657778
9.15475972
9.15475972
5.508992172
5.508992172
3.447737573
3.447737573
null
null
null
null
285.2221731
20.68462891
33.56176029
0
0
0
0
0
0
0.0
63.13706063
751.4632473
0.685185185
1.12962963
1.648148148
0.675
142.0
PEPTIDE3652{[dP].A.[dL].[dL].P.[dL].F}$PEPTIDE3652,PEPTIDE3652,1:R1-7:R2$$$
PEPTIDE3652{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3652,PEPTIDE3652,1:R1-7:R2$$$
-4.49
54
690.482
3652
null
null
7.15e+36
9.042473157
19.20403085
11.26626648
405.2150582
null
16.36228882
0.342800051
16.36228882
0.245675543
1.761202119
0.245675543
-6.903059693
-0.342800051
1.8069
203.3085
751.97
Circle
7
7
null
5
14
null
null
0
3
3
1
0
1
7
5
14
0
15
0
3
3
298
hepta_75
-6.46
3.334617113
-0.672073818
36.34888623
42.12524728
7.059210392
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
79.68002074
16.44910267
null
-6.46
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1NC(=O)[C@H](C)NC(=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
117.3834498
41.35025811
0.0
36.34888623
17.68187306
141.0718913
12.99371937
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'dL', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 29.1]
26.54906677
0.0
0.0
0.0
106.2690442
39.93468519
17.68187306
174.8996498
30.21209354
7.059210392
0.0
0
2020_Townsend
3652
null
186.12
5.11
533.5850221
0.0
107.7483742
-12.77259244
-2.653830334
-48.24117052
-56.38575167
-47.91502434
-49.94836025
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
2
5
0
0
0
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
0.268210792
null
273d4e4898bfd33eb3886ca338050a55d5bfc9f1193cd8db3ebfae8aaf0a8c4a
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,652
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'dL', 'P', 'dL', 'F']
38
3653
-10.0
-10
Circle
4
-1.71e-16
-2.703775545
-1.63e-16
-2.868550446
-3.46e-17
-1.135354484
9.33e-16
-0.249287767
2.927614811
4086.295672
156.0
null
null
93.04700538
86.9882332
25.9882332
49.5557652
43.74264576
13.50657778
9.15475972
9.15475972
5.508992172
5.508992172
3.447737573
3.447737573
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
285.2221731
20.68462891
33.56176029
0
0
0
0
0
0
0.0
63.13706063
751.4632473
0.685185185
1.12962963
1.648148148
0.675
155.0
PEPTIDE3653{[dP].A.L.[dL].P.[dL].F}$PEPTIDE3653,PEPTIDE3653,1:R1-7:R2$$$
PEPTIDE3653{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3653,PEPTIDE3653,1:R1-7:R2$$$
-4.49
54
690.482
3653
null
null
7.15e+36
9.042473157
19.20403085
11.26626648
405.2150582
null
16.36228882
0.342800051
16.36228882
0.245675543
1.761202119
0.245675543
-6.903059693
-0.342800051
1.8069
203.3085
751.97
Circle
7
7
null
5
14
null
null
0
3
3
1
0
1
7
5
14
0
15
0
3
3
298
hepta_76
-10.0
3.334617113
-0.672073818
36.34888623
42.12524728
7.059210392
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
79.68002074
16.44910267
null
-10.0
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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
117.3834498
41.35025811
0.0
36.34888623
17.68187306
141.0718913
12.99371937
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'L', 'dL', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 29.1]
26.54906677
0.0
0.0
0.0
106.2690442
39.93468519
17.68187306
174.8996498
30.21209354
7.059210392
0.0
0
2020_Townsend
3653
null
186.12
0.0
533.5850221
0.0
107.7483742
-12.77259244
-2.653830334
-48.24117052
-56.38575167
-47.91502434
-49.94836025
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
2
5
0
0
0
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
0.268210792
null
94ec58f4e8f49d859e13a8f0d62560af5cfc1358d0c68dfba87dc60fb1b441ff
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,653
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'dL', 'P', 'L', 'F']
38
3654
-10.0
-10
Circle
4
-2.19e-16
-2.703775545
-1.88e-16
-2.868550446
-7.78e-17
-1.135354484
7.86e-16
-0.249287767
2.927614811
4086.295672
149.0
null
null
93.04700538
86.9882332
25.9882332
49.5557652
43.74264576
13.50657778
9.15475972
9.15475972
5.508992172
5.508992172
3.447737573
3.447737573
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
285.2221731
20.68462891
33.56176029
0
0
0
0
0
0
0.0
63.13706063
751.4632473
0.685185185
1.12962963
1.648148148
0.675
147.0
PEPTIDE3654{[dP].A.[dL].[dL].P.L.F}$PEPTIDE3654,PEPTIDE3654,1:R1-7:R2$$$
PEPTIDE3654{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3654,PEPTIDE3654,1:R1-7:R2$$$
-4.49
54
690.482
3654
null
null
1.56e+36
9.042473157
19.20403085
11.26626648
405.2150582
null
16.36228882
0.342800051
16.36228882
0.245675543
1.761202119
0.245675543
-6.903059693
-0.342800051
1.8069
203.3085
751.97
Circle
7
7
null
5
14
null
null
0
3
3
1
0
1
7
5
14
0
15
0
3
3
298
hepta_77
-10.0
3.334617113
-0.672073818
36.34888623
42.12524728
7.059210392
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
79.68002074
16.44910267
null
-10.0
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)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3834498
41.35025811
0.0
36.34888623
17.68187306
141.0718913
12.99371937
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'dL', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 29.1]
26.54906677
0.0
0.0
0.0
106.2690442
39.93468519
17.68187306
174.8996498
30.21209354
7.059210392
0.0
0
2020_Townsend
3654
null
186.12
0.0
533.5850221
0.0
107.7483742
-12.77259244
-2.653830334
-48.24117052
-56.38575167
-47.91502434
-49.94836025
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
2
5
0
0
0
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
0.268210792
null
30e7a35869881dc917bf3d02c4289f8dbe13ab65ee5c91deeb071ba240b8e31a
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,654
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'L', 'P', 'dL', 'F']
38
3655
-10.0
-10
Circle
3
-1.59e-16
-2.703775545
-1.29e-16
-2.868550446
-3.87e-17
-1.135354484
1.07e-15
-0.249287767
2.927614811
4086.295672
156.0
null
null
93.04700538
86.9882332
25.9882332
49.5557652
43.74264576
13.50657778
9.15475972
9.15475972
5.508992172
5.508992172
3.447737573
3.447737573
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
285.2221731
20.68462891
33.56176029
0
0
0
0
0
0
0.0
63.13706063
751.4632473
0.685185185
1.12962963
1.648148148
0.675
147.0
PEPTIDE3655{[dP].A.[dL].L.P.[dL].F}$PEPTIDE3655,PEPTIDE3655,1:R1-7:R2$$$
PEPTIDE3655{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3655,PEPTIDE3655,1:R1-7:R2$$$
-4.49
54
690.482
3655
null
null
1.53e+36
9.042473157
19.20403085
11.26626648
405.2150582
null
16.36228882
0.342800051
16.36228882
0.245675543
1.761202119
0.245675543
-6.903059693
-0.342800051
1.8069
203.3085
751.97
Circle
7
7
null
5
14
null
null
0
3
3
1
0
1
7
5
14
0
15
0
3
3
298
hepta_78
-10.0
3.334617113
-0.672073818
36.34888623
42.12524728
7.059210392
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
79.68002074
16.44910267
null
-10.0
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)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2CCCN2C1=O
117.3834498
41.35025811
0.0
36.34888623
17.68187306
141.0718913
12.99371937
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'L', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 29.1]
26.54906677
0.0
0.0
0.0
106.2690442
39.93468519
17.68187306
174.8996498
30.21209354
7.059210392
0.0
0
2020_Townsend
3655
null
186.12
0.0
533.5850221
0.0
107.7483742
-12.77259244
-2.653830334
-48.24117052
-56.38575167
-47.91502434
-49.94836025
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
2
5
0
0
0
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
0.268210792
null
2482915df913475b4144e69060077c467247ff089b8b03635131ae3f14370a5f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,655
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'L', 'P', 'L', 'F']
37
3656
-10.0
-10
Circle
8
-2.19e-16
-2.703775545
-1.88e-16
-2.868550446
-7.78e-17
-1.135354484
7.86e-16
-0.249287767
2.927614811
4086.295672
161.0
null
null
93.04700538
86.9882332
25.9882332
49.5557652
43.74264576
13.50657778
9.15475972
9.15475972
5.508992172
5.508992172
3.447737573
3.447737573
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
285.2221731
20.68462891
33.56176029
0
0
0
0
0
0
0.0
63.13706063
751.4632473
0.685185185
1.12962963
1.648148148
0.675
158.0
PEPTIDE3656{[dP].A.[dL].L.P.L.F}$PEPTIDE3656,PEPTIDE3656,1:R1-7:R2$$$
PEPTIDE3656{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3656,PEPTIDE3656,1:R1-7:R2$$$
-4.49
54
690.482
3656
null
null
1.56e+36
9.042473157
19.20403085
11.26626648
405.2150582
null
16.36228882
0.342800051
16.36228882
0.245675543
1.761202119
0.245675543
-6.903059693
-0.342800051
1.8069
203.3085
751.97
Circle
7
7
null
5
14
null
null
0
3
3
1
0
1
7
5
14
0
15
0
3
3
298
hepta_79
-10.0
3.334617113
-0.672073818
36.34888623
42.12524728
7.059210392
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
79.68002074
16.44910267
null
-10.0
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)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
117.3834498
41.35025811
0.0
36.34888623
17.68187306
141.0718913
12.99371937
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'L', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 29.1]
26.54906677
0.0
0.0
0.0
106.2690442
39.93468519
17.68187306
174.8996498
30.21209354
7.059210392
0.0
0
2020_Townsend
3656
null
186.12
0.0
533.5850221
0.0
107.7483742
-12.77259244
-2.653830334
-48.24117052
-56.38575167
-47.91502434
-49.94836025
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
2
5
0
0
0
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
0.268210792
null
1379e1650f9fee921211f6614d7a9bb1764a81799d381128ac7c2984cacc760b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,656
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'L', 'P', 'dL', 'F']
37
3657
-10.0
-10
Circle
6
-1.71e-16
-2.703775545
-1.63e-16
-2.868550446
-3.46e-17
-1.135354484
9.33e-16
-0.249287767
2.927614811
4086.295672
152.0
null
null
93.04700538
86.9882332
25.9882332
49.5557652
43.74264576
13.50657778
9.15475972
9.15475972
5.508992172
5.508992172
3.447737573
3.447737573
null
0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB)
null
null
285.2221731
20.68462891
33.56176029
0
0
0
0
0
0
0.0
63.13706063
751.4632473
0.685185185
1.12962963
1.648148148
0.675
152.0
PEPTIDE3657{[dP].A.L.L.P.[dL].F}$PEPTIDE3657,PEPTIDE3657,1:R1-7:R2$$$
PEPTIDE3657{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3657,PEPTIDE3657,1:R1-7:R2$$$
-4.49
54
690.482
3657
null
null
7.15e+36
9.042473157
19.20403085
11.26626648
405.2150582
null
16.36228882
0.342800051
16.36228882
0.245675543
1.761202119
0.245675543
-6.903059693
-0.342800051
1.8069
203.3085
751.97
Circle
7
7
null
5
14
null
null
0
3
3
1
0
1
7
5
14
0
15
0
3
3
298
hepta_80
-10.0
3.334617113
-0.672073818
36.34888623
42.12524728
7.059210392
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
79.68002074
16.44910267
null
-10.0
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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
117.3834498
41.35025811
0.0
36.34888623
17.68187306
141.0718913
12.99371937
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'L', 'L', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 29.1]
26.54906677
0.0
0.0
0.0
106.2690442
39.93468519
17.68187306
174.8996498
30.21209354
7.059210392
0.0
0
2020_Townsend
3657
null
186.12
0.0
533.5850221
0.0
107.7483742
-12.77259244
-2.653830334
-48.24117052
-56.38575167
-47.91502434
-49.94836025
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
2
5
0
0
0
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
0.268210792
null
db49444bda2e91def659e50bcd5a1f854c44ca4d225b24a98ee2bac83c780af0
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,657
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'dL', 'P', 'L', 'F']
37
3658
-6.26
-6.26
Circle
1
-1.71e-16
-2.703775545
-1.63e-16
-2.868550446
-3.46e-17
-1.135354484
9.33e-16
-0.249287767
2.927614811
4086.295672
131.0
null
null
93.04700538
86.9882332
25.9882332
49.5557652
43.74264576
13.50657778
9.15475972
9.15475972
5.508992172
5.508992172
3.447737573
3.447737573
null
null
null
null
285.2221731
20.68462891
33.56176029
0
0
0
0
0
0
0.0
63.13706063
751.4632473
0.685185185
1.12962963
1.648148148
0.675
129.0
PEPTIDE3658{[dP].A.L.[dL].P.L.F}$PEPTIDE3658,PEPTIDE3658,1:R1-7:R2$$$
PEPTIDE3658{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3658,PEPTIDE3658,1:R1-7:R2$$$
-4.49
54
690.482
3658
null
null
7.15e+36
9.042473157
19.20403085
11.26626648
405.2150582
null
16.36228882
0.342800051
16.36228882
0.245675543
1.761202119
0.245675543
-6.903059693
-0.342800051
1.8069
203.3085
751.97
Circle
7
7
null
5
14
null
null
0
3
3
1
0
1
7
5
14
0
15
0
3
3
298
hepta_81
-6.26
3.334617113
-0.672073818
36.34888623
42.12524728
7.059210392
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
79.68002074
16.44910267
null
-6.26
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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
117.3834498
41.35025811
0.0
36.34888623
17.68187306
141.0718913
12.99371937
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'L', 'dL', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 29.1]
26.54906677
0.0
0.0
0.0
106.2690442
39.93468519
17.68187306
174.8996498
30.21209354
7.059210392
0.0
0
2020_Townsend
3658
null
186.12
7.93
533.5850221
0.0
107.7483742
-12.77259244
-2.653830334
-48.24117052
-56.38575167
-47.91502434
-49.94836025
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
2
5
0
0
0
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
0.268210792
null
94ec95f97b667869639b859df25ea3e5ebe68c49e35fdfe18185b3e7a46a80d7
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,658
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'L', 'P', 'L', 'F']
36
3659
-6.45
-6.45
Circle
9
-1.71e-16
-2.703775545
-1.63e-16
-2.868550446
-3.46e-17
-1.135354484
9.33e-16
-0.249287767
2.927614811
4086.295672
131.0
null
null
93.04700538
86.9882332
25.9882332
49.5557652
43.74264576
13.50657778
9.15475972
9.15475972
5.508992172
5.508992172
3.447737573
3.447737573
null
null
null
null
285.2221731
20.68462891
33.56176029
0
0
0
0
0
0
0.0
63.13706063
751.4632473
0.685185185
1.12962963
1.648148148
0.675
131.0
PEPTIDE3659{[dP].A.L.L.P.L.F}$PEPTIDE3659,PEPTIDE3659,1:R1-7:R2$$$
PEPTIDE3659{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3659,PEPTIDE3659,1:R1-7:R2$$$
-4.49
54
690.482
3659
null
null
7.15e+36
9.042473157
19.20403085
11.26626648
405.2150582
null
16.36228882
0.342800051
16.36228882
0.245675543
1.761202119
0.245675543
-6.903059693
-0.342800051
1.8069
203.3085
751.97
Circle
7
7
null
5
14
null
null
0
3
3
1
0
1
7
5
14
0
15
0
3
3
298
hepta_82
-6.45
3.334617113
-0.672073818
36.34888623
42.12524728
7.059210392
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
71.32344624
74.70769097
79.68002074
16.44910267
null
-6.45
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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
117.3834498
41.35025811
0.0
36.34888623
17.68187306
141.0718913
12.99371937
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'L', 'L', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 29.1]
26.54906677
0.0
0.0
0.0
106.2690442
39.93468519
17.68187306
174.8996498
30.21209354
7.059210392
0.0
0
2020_Townsend
3659
null
186.12
5.22
533.5850221
0.0
107.7483742
-12.77259244
-2.653830334
-48.24117052
-56.38575167
-47.91502434
-49.94836025
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
2
5
0
0
0
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
0.268210792
null
f37a83515afd75c568917c5ec6916cd4874a88a66e56f533ca3807734df04dc9
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,659
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'Me_dL', 'dL', 'P', 'dL', 'F']
42
3660
-6.28
-6.28
Circle
8
-2.34e-16
-2.713832687
-1.45e-16
-2.86126448
-4.16e-17
-1.135672081
1.3e-15
-0.249287767
2.991194867
4193.826765
150.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
24.79690458
33.56176029
0
0
0
0
0
0
0.0
61.72521855
765.4788974
0.727272727
1.254545455
1.836363636
0.682926829
146.0
PEPTIDE3660{[dP].A.[Me_dL].[dL].P.[dL].F}$PEPTIDE3660,PEPTIDE3660,1:R1-7:R2$$$
PEPTIDE3660{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3660,PEPTIDE3660,1:R1-7:R2$$$
-4.49
55
702.493
3660
null
null
5.589999999999999e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.49495665
0.342792017
16.49495665
0.245675543
1.783597952
0.245675543
-7.061202372
-0.342792017
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_83
-6.28
3.37752281
-0.577275551
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
-6.28
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)NC(=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', 'A', 'Me_dL', 'dL', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3660
null
177.33
7.54
553.4160707
0.0
106.304084
-10.45231669
-2.686960265
-49.20040395
-57.40539764
-48.56969111
-56.7387184
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
837b36ab80eff9a8ba1dc6d2cbc6f510c39892770b9b703d1e1ab88dfa9817a5
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,660
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'dL', 'P', 'Me_dL', 'F']
42
3661
-6.06
-6.06
Circle
8
-1.66e-16
-2.707729398
-1.77e-16
-2.867758643
-7.07e-17
-1.135354896
8.92e-16
-0.249287767
3.001926314
4193.826765
118.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
20.64354539
33.56176029
0
0
0
0
0
0
0.0
65.87857774
765.4788974
0.727272727
1.290909091
1.927272727
0.682926829
118.0
PEPTIDE3661{[dP].A.[dL].[dL].P.[Me_dL].F}$PEPTIDE3661,PEPTIDE3661,1:R1-7:R2$$$
PEPTIDE3661{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3661,PEPTIDE3661,1:R1-7:R2$$$
-4.49
55
702.493
3661
null
null
1.89e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.57926341
0.342800051
16.57926341
0.245675544
1.799654828
0.245675544
-7.070537473
-0.342800051
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_84
-6.06
3.354277628
-0.648005228
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
-6.06
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@H]1NC(=O)[C@H](C)NC(=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
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 20.31, 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
3661
null
177.33
12.29
553.7509106
0.0
106.2357284
-10.38396106
-2.718693374
-49.19597155
-57.51086548
-48.75620396
-56.75427693
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
2d94520144e853f8f8de871bc9e0e03c281346b1aaa14961406c8826e358a779
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,661
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'Me_dL', 'P', 'dL', 'F']
42
3662
-5.63
-5.63
Circle
6
-1.6e-16
-2.71822073
-1.69e-16
-2.85880215
-4.13e-17
-1.135756562
1.02e-15
-0.249287767
2.995363505
4193.826765
114.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
23.3850625
33.56176029
0
0
0
0
0
0
0.0
63.13706063
765.4788974
0.727272727
1.272727273
1.872727273
0.682926829
115.0
PEPTIDE3662{[dP].A.[dL].[Me_dL].P.[dL].F}$PEPTIDE3662,PEPTIDE3662,1:R1-7:R2$$$
PEPTIDE3662{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3662,PEPTIDE3662,1:R1-7:R2$$$
-4.49
55
702.493
3662
null
null
2.69e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.67895549
0.342800051
16.67895549
0.245675543
1.779090538
0.245675543
-7.189518026
-0.342800051
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_85
-5.63
3.308584281
-0.576066595
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
-5.63
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)NC(=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', 'A', 'dL', 'Me_dL', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 20.31, 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
3662
null
177.33
29.32
553.7509136
0.0
106.1505978
-10.29883042
-2.679142125
-49.2617999
-57.37730347
-48.66999408
-56.94777475
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
c441c3e6a0c767c0d8322776c78019a9b6c3ae58498549e60ee293e080a7b8c8
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,662
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'meL', 'dL', 'P', 'dL', 'F']
40
3663
-5.78
-5.78
Circle
9
-1.86e-16
-2.713832687
-2.14e-16
-2.86126448
-1.32e-16
-1.135672081
4.21e-16
-0.249287767
2.991194867
4193.826765
122.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
24.79690458
33.56176029
0
0
0
0
0
0
0.0
61.72521855
765.4788974
0.727272727
1.254545455
1.836363636
0.682926829
122.0
PEPTIDE3663{[dP].A.[meL].[dL].P.[dL].F}$PEPTIDE3663,PEPTIDE3663,1:R1-7:R2$$$
PEPTIDE3663{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3663,PEPTIDE3663,1:R1-7:R2$$$
-4.49
55
702.493
3663
null
null
4.82e+36
9.12088157
19.39277693
11.28572685
414.5418561
null
16.49495665
0.342792017
16.49495665
0.245675543
1.783597952
0.245675543
-7.061202372
-0.342792017
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_86
-5.78
3.37752281
-0.577275551
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
-5.78
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@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1C
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'meL', 'dL', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3663
null
177.33
22.2
553.4160707
0.0
106.304084
-10.45231669
-2.686960265
-49.20040395
-57.40539764
-48.56969111
-56.7387184
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
c5ceba6e566584f6528a7cc2111c0884d7ec477651894af1cebcfc5969f69d8f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,663
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'dL', 'P', 'Me_dL', 'F']
41
3664
-6.44
-6.44
Circle
1
-1.66e-16
-2.707729398
-1.77e-16
-2.867758643
-7.07e-17
-1.135354896
8.92e-16
-0.249287767
3.001926314
4193.826765
122.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
20.64354539
33.56176029
0
0
0
0
0
0
0.0
65.87857774
765.4788974
0.727272727
1.290909091
1.927272727
0.682926829
121.0
PEPTIDE3664{[dP].A.L.[dL].P.[Me_dL].F}$PEPTIDE3664,PEPTIDE3664,1:R1-7:R2$$$
PEPTIDE3664{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3664,PEPTIDE3664,1:R1-7:R2$$$
-4.49
55
702.493
3664
null
null
1.89e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.57926341
0.342800051
16.57926341
0.245675544
1.799654828
0.245675544
-7.070537473
-0.342800051
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_87
-6.44
3.354277628
-0.648005228
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
-6.44
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'L', 'dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 20.31, 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
3664
null
177.33
5.29
553.7509106
0.0
106.2357284
-10.38396106
-2.718693374
-49.19597155
-57.51086548
-48.75620396
-56.75427693
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
334546561d066a13e96034451f73eb3e20c1c1b9a89eab1da4191e968007a715
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,664
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'dL', 'P', 'meL', 'F']
40
3665
-6.29
-6.29
Circle
7
-2.57e-16
-2.707729398
-2.15e-16
-2.867758643
-9.38e-17
-1.135354896
1.44e-15
-0.249287767
3.001926314
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
3.576461046
3.576461046
null
null
null
null
291.7880964
20.64354539
33.56176029
0
0
0
0
0
0
0.0
65.87857774
765.4788974
0.727272727
1.290909091
1.927272727
0.682926829
130.0
PEPTIDE3665{[dP].A.[dL].[dL].P.[meL].F}$PEPTIDE3665,PEPTIDE3665,1:R1-7:R2$$$
PEPTIDE3665{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3665,PEPTIDE3665,1:R1-7:R2$$$
-4.49
55
702.493
3665
null
null
1.58e+36
9.12088157
19.39277693
11.28572685
414.5418561
null
16.57926341
0.342800051
16.57926341
0.245675544
1.799654828
0.245675544
-7.070537473
-0.342800051
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_88
-6.29
3.354277628
-0.648005228
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
-6.29
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@@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
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'dL', 'P', 'meL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 20.31, 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
3665
null
177.33
7.36
553.7509106
0.0
106.2357284
-10.38396106
-2.718693374
-49.19597155
-57.51086548
-48.75620396
-56.75427693
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
896cd4102f61b78d67d09671939679f0fa9aa1a0a342fcfe2c71cd347e9d8f95
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,665
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'Me_dL', 'L', 'P', 'dL', 'F']
41
3666
-6.08
-6.08
Circle
1
-2.34e-16
-2.713832687
-1.43e-16
-2.86126448
-9.9e-17
-1.135672081
9.24e-16
-0.249287767
2.991194867
4193.826765
134.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
24.79690458
33.56176029
0
0
0
0
0
0
0.0
61.72521855
765.4788974
0.727272727
1.254545455
1.836363636
0.682926829
132.0
PEPTIDE3666{[dP].A.[Me_dL].L.P.[dL].F}$PEPTIDE3666,PEPTIDE3666,1:R1-7:R2$$$
PEPTIDE3666{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3666,PEPTIDE3666,1:R1-7:R2$$$
-4.49
55
702.493
3666
null
null
8.38e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.49495665
0.342792017
16.49495665
0.245675543
1.783597952
0.245675543
-7.061202372
-0.342792017
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_89
-6.08
3.37752281
-0.577275551
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
-6.08
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)NC(=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', 'A', 'Me_dL', 'L', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3666
null
177.33
11.73
553.4160707
0.0
106.304084
-10.45231669
-2.686960265
-49.20040395
-57.40539764
-48.56969111
-56.7387184
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
3290602873d7f2178c63a2a9a716274b3aaf339ddca672f3735c70f1392e1521
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,667
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'L', 'P', 'Me_dL', 'F']
41
3668
-6.28
-6.28
Circle
5
-2.14e-16
-2.707729398
-1.81e-16
-2.867758643
-1.5e-16
-1.135354896
9.56e-16
-0.249287767
3.001926314
4193.826765
117.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
20.64354539
33.56176029
0
0
0
0
0
0
0.0
65.87857774
765.4788974
0.727272727
1.290909091
1.927272727
0.682926829
120.0
PEPTIDE3668{[dP].A.[dL].L.P.[Me_dL].F}$PEPTIDE3668,PEPTIDE3668,1:R1-7:R2$$$
PEPTIDE3668{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3668,PEPTIDE3668,1:R1-7:R2$$$
-4.49
55
702.493
3668
null
null
6.35e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.57926341
0.342800051
16.57926341
0.245675544
1.799654828
0.245675544
-7.070537473
-0.342800051
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_91
-6.28
3.354277628
-0.648005228
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
-6.28
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)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=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', 'A', 'dL', 'L', 'P', 'Me_dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 20.31, 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
3668
null
177.33
7.52
553.7509106
0.0
106.2357284
-10.38396106
-2.718693374
-49.19597155
-57.51086548
-48.75620396
-56.75427693
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
30e0c3a355d033492a7cf8743020b1382f28f4d1cfb584f77ce0394591d757d5
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,669
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'Me_dL', 'P', 'L', 'F']
40
3670
-6.12
-6.12
Circle
8
-1.6e-16
-2.71822073
-1.69e-16
-2.85880215
-4.13e-17
-1.135756562
1.02e-15
-0.249287767
2.995363505
4193.826765
132.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
23.3850625
33.56176029
0
0
0
0
0
0
0.0
63.13706063
765.4788974
0.727272727
1.272727273
1.872727273
0.682926829
136.0
PEPTIDE3670{[dP].A.L.[Me_dL].P.L.F}$PEPTIDE3670,PEPTIDE3670,1:R1-7:R2$$$
PEPTIDE3670{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3670,PEPTIDE3670,1:R1-7:R2$$$
-4.49
55
702.493
3670
null
null
2.69e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.67895549
0.342800051
16.67895549
0.245675543
1.779090538
0.245675543
-7.189518026
-0.342800051
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_93
-6.12
3.308584281
-0.576066595
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
-6.12
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)NC(=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', 'A', 'L', 'Me_dL', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 20.31, 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
3670
null
177.33
10.72
553.7509136
0.0
106.1505978
-10.29883042
-2.679142125
-49.2617999
-57.37730347
-48.66999408
-56.94777475
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
9f4319767e50dc7f7f7e46a43561fbdf470da3b0032cee2514168d8d0293e133
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,670
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'L', 'P', 'Me_dL', 'F']
40
3671
-6.11
-6.11
Circle
4
-1.66e-16
-2.707729398
-1.77e-16
-2.867758643
-7.07e-17
-1.135354896
8.92e-16
-0.249287767
3.001926314
4193.826765
132.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
20.64354539
33.56176029
0
0
0
0
0
0
0.0
65.87857774
765.4788974
0.727272727
1.290909091
1.927272727
0.682926829
130.0
PEPTIDE3671{[dP].A.L.L.P.[Me_dL].F}$PEPTIDE3671,PEPTIDE3671,1:R1-7:R2$$$
PEPTIDE3671{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3671,PEPTIDE3671,1:R1-7:R2$$$
-4.49
55
702.493
3671
null
null
1.89e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.57926341
0.342800051
16.57926341
0.245675544
1.799654828
0.245675544
-7.070537473
-0.342800051
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_94
-6.11
3.354277628
-0.648005228
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
-6.11
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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
120.0838834
41.35025811
0.0
35.93898261
17.68187306
141.0718913
19.96954627
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'L', 'L', 'P', 'Me_dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 29.1, 20.31, 20.31, 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
3671
null
177.33
11.01
553.7509106
0.0
106.2357284
-10.38396106
-2.718693374
-49.19597155
-57.51086548
-48.75620396
-56.75427693
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
09e9b3bb4880b53f3e9e370b8ef823186e191306b7d45aa4af2c2e84c0c49892
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,671
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'Me_dL', 'L', 'P', 'L', 'F']
40
3672
-6.1
-6.1
Circle
5
-2.34e-16
-2.713832687
-1.45e-16
-2.86126448
-4.16e-17
-1.135672081
1.3e-15
-0.249287767
2.991194867
4193.826765
137.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
24.79690458
33.56176029
0
0
0
0
0
0
0.0
61.72521855
765.4788974
0.727272727
1.254545455
1.836363636
0.682926829
134.0
PEPTIDE3672{[dP].A.[Me_dL].L.P.L.F}$PEPTIDE3672,PEPTIDE3672,1:R1-7:R2$$$
PEPTIDE3672{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3672,PEPTIDE3672,1:R1-7:R2$$$
-4.49
55
702.493
3672
null
null
5.589999999999999e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.49495665
0.342792017
16.49495665
0.245675543
1.783597952
0.245675543
-7.061202372
-0.342792017
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_95
-6.1
3.37752281
-0.577275551
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
-6.1
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)NC(=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', 'A', 'Me_dL', 'L', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3672
null
177.33
11.17
553.4160707
0.0
106.304084
-10.45231669
-2.686960265
-49.20040395
-57.40539764
-48.56969111
-56.7387184
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
3c1d6a8c29b774466efbf50386713d31a996dfb95b9c7823dbe4d7037b557b70
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,672
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'meL', 'L', 'P', 'L', 'F']
38
3673
-6.56
-6.56
Circle
5
-2.34e-16
-2.713832687
-1.45e-16
-2.86126448
-4.16e-17
-1.135672081
1.3e-15
-0.249287767
2.991194867
4193.826765
121.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
24.79690458
33.56176029
0
0
0
0
0
0
0.0
61.72521855
765.4788974
0.727272727
1.254545455
1.836363636
0.682926829
124.0
PEPTIDE3673{[dP].A.[meL].L.P.L.F}$PEPTIDE3673,PEPTIDE3673,1:R1-7:R2$$$
PEPTIDE3673{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3673,PEPTIDE3673,1:R1-7:R2$$$
-4.49
55
702.493
3673
null
null
5.589999999999999e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.49495665
0.342792017
16.49495665
0.245675543
1.783597952
0.245675543
-7.061202372
-0.342792017
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_96
-6.56
3.37752281
-0.577275551
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
-6.56
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)NC(=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', 'A', 'meL', 'L', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3673
null
177.33
4.02
553.4160707
0.0
106.304084
-10.45231669
-2.686960265
-49.20040395
-57.40539764
-48.56969111
-56.7387184
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
af8ee7edafde5f1e32caf62b39f531de292bbdd01b799f384aeafbc76c1f3f9a
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,673
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'meL', 'P', 'L', 'F']
38
3674
-6.21
-6.21
Circle
5
-1.6e-16
-2.71822073
-1.69e-16
-2.85880215
-4.13e-17
-1.135756562
1.02e-15
-0.249287767
2.995363505
4193.826765
120.0
null
null
95.54700538
89.4882332
26.4882332
50.76709006
45.01903896
13.73018458
9.378366518
9.378366518
5.722340816
5.722340816
3.576461046
3.576461046
null
null
null
null
291.7880964
23.3850625
33.56176029
0
0
0
0
0
0
0.0
63.13706063
765.4788974
0.727272727
1.272727273
1.872727273
0.682926829
119.0
PEPTIDE3674{[dP].A.L.[meL].P.L.F}$PEPTIDE3674,PEPTIDE3674,1:R1-7:R2$$$
PEPTIDE3674{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3674,PEPTIDE3674,1:R1-7:R2$$$
-4.49
55
702.493
3674
null
null
2.69e+37
9.12088157
19.39277693
11.28572685
414.5418561
null
16.67895549
0.342800051
16.67895549
0.245675543
1.779090538
0.245675543
-7.189518026
-0.342800051
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_97
-6.21
3.308584281
-0.576066595
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
-6.21
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)NC(=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', 'A', 'L', 'meL', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 20.31, 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
3674
null
177.33
8.91
553.7509136
0.0
106.1505978
-10.29883042
-2.679142125
-49.2617999
-57.37730347
-48.66999408
-56.94777475
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
213c413af5943a8d7d21ff366f41f1704b8daa871fa4720eca9092677a29ae06
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,674
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'Me_dL', 'Me_dL', 'P', 'dL', 'F']
45
3675
-6.22
-6.22
Circle
6
-2.33e-16
-2.726662629
-2.25e-16
-2.85833211
-9.47e-17
-1.136011287
7.05e-16
-0.249287767
3.060397376
4301.733481
134.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
126.0
PEPTIDE3675{[dP].A.[Me_dL].[Me_dL].P.[dL].F}$PEPTIDE3675,PEPTIDE3675,1:R1-7:R2$$$
PEPTIDE3675{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3675,PEPTIDE3675,1:R1-7:R2$$$
-4.49
56
714.504
3675
null
null
1.81e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.82337671
0.342792017
16.82337671
0.245675543
1.801486371
0.245675543
-7.314943196
-0.342792017
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_98
-6.22
3.154566114
-0.476829613
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
-6.22
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)NC(=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', 'A', 'Me_dL', 'Me_dL', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3675
null
168.54
8.61
573.8328126
0.0
104.5063076
-7.778554666
-2.712272056
-50.22103334
-58.39694943
-49.32466084
-63.98898323
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
35119305de410e8cda92489df7f9271e6c61f4598d8ce1aa599efb2733acbe9a
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,675
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'Me_dL', 'dL', 'P', 'Me_dL', 'F']
45
3676
-5.74
-5.74
Circle
1
-2.1e-16
-2.715032686
-2.14e-16
-2.857155078
-1.09e-16
-1.135675439
9.87e-16
-0.249287767
3.063444165
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
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
131.0
PEPTIDE3676{[dP].A.[Me_dL].[dL].P.[Me_dL].F}$PEPTIDE3676,PEPTIDE3676,1:R1-7:R2$$$
PEPTIDE3676{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3676,PEPTIDE3676,1:R1-7:R2$$$
-4.49
56
714.504
3676
null
null
3.52e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.66523726
0.342792017
16.66523726
0.245675544
1.822050661
0.245675544
-7.127735501
-0.342792017
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_99
-5.74
3.301345915
-0.481389783
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
-5.74
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)NC(=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', 'A', 'Me_dL', 'dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3676
null
168.54
24.05
573.663012
0.0
104.7284217
-8.00066877
-2.751823305
-50.15520499
-58.53051144
-49.41087073
-63.62568784
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
4c2f40907e3f0919b6243e5b6069ef6aacad7eb8b68d5b2f8a1898ab3a61a96e
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,676
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'Me_dL', 'P', 'meL', 'F']
43
3677
-5.66
-5.66
Circle
9
-2.53e-16
-2.719712142
-1.6e-16
-2.858627772
-1.12e-16
-1.135756817
9.05e-16
-0.249287767
3.069052111
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
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
117.0
PEPTIDE3677{[dP].A.[dL].[Me_dL].P.[meL].F}$PEPTIDE3677,PEPTIDE3677,1:R1-7:R2$$$
PEPTIDE3677{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3677,PEPTIDE3677,1:R1-7:R2$$$
-4.49
56
714.504
3677
null
null
3.29e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.8492361
0.342800051
16.8492361
0.245675544
1.817543247
0.245675544
-7.288768664
-0.342800051
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_100
-5.66
3.217537921
-0.494477593
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]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[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
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'Me_dL', 'P', 'meL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 20.31, 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
3677
null
168.54
28.15
574.0492096
0.0
104.5329173
-7.805164312
-2.744005165
-50.21660093
-58.50241727
-49.5111737
-63.88609884
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
876b7469f7d9334c0cbe90ce77e2f9eb15da528948cf5660e3cf526a50870a9c
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,677
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'Me_dL', 'L', 'P', 'Me_dL', 'F']
44
3678
-5.4
-5.4
Circle
6
-2.1e-16
-2.715032686
-2.14e-16
-2.857155078
-1.09e-16
-1.135675439
9.87e-16
-0.249287767
3.063444165
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
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
132.0
PEPTIDE3678{[dP].A.[Me_dL].L.P.[Me_dL].F}$PEPTIDE3678,PEPTIDE3678,1:R1-7:R2$$$
PEPTIDE3678{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3678,PEPTIDE3678,1:R1-7:R2$$$
-4.49
56
714.504
3678
null
null
3.52e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.66523726
0.342792017
16.66523726
0.245675544
1.822050661
0.245675544
-7.127735501
-0.342792017
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_101
-5.4
3.301345915
-0.481389783
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
-5.4
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)NC(=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', 'A', 'Me_dL', 'L', 'P', 'Me_dL', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3678
null
168.54
45.13
573.663012
0.0
104.7284217
-8.00066877
-2.751823305
-50.15520499
-58.53051144
-49.41087073
-63.62568784
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
85c79273d942b8c2e6546cf62bef54b8f98069583661afaaad72d541a49e2526
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,678
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'Me_dL', 'P', 'Me_dL', 'F']
44
3679
-6.1
-6.1
Circle
2
-2.11e-16
-2.719712142
-1.95e-16
-2.858627772
-1.1e-16
-1.135756817
8.43e-16
-0.249287767
3.069052111
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
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
130.0
PEPTIDE3679{[dP].A.L.[Me_dL].P.[Me_dL].F}$PEPTIDE3679,PEPTIDE3679,1:R1-7:R2$$$
PEPTIDE3679{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3679,PEPTIDE3679,1:R1-7:R2$$$
-4.49
56
714.504
3679
null
null
5.36e+37
9.201058546
19.58482586
10.8740383
423.8686541
null
16.8492361
0.342800051
16.8492361
0.245675544
1.817543247
0.245675544
-7.288768664
-0.342800051
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_102
-6.1
3.217537921
-0.494477593
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
-6.1
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'L', 'Me_dL', 'P', 'Me_dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 20.31, 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
3679
null
168.54
11.17
574.0492096
0.0
104.5329173
-7.805164312
-2.744005165
-50.21660093
-58.50241727
-49.5111737
-63.88609884
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
c9ee0567a2db6deb92c5c7867f6caa4ff7d8267f0e50b70473b32cfe5cc8bbcf
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,679
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'Bn_Gly', 'P', 'dL', 'F']
43
3680
-6.27
-6.27
Circle
6
-9.8e-17
-2.688123094
-9.69e-17
-2.858169854
1.26e-16
-1.134689244
2.09e-15
-0.249287762
2.482632664
4366.753295
161.0
null
null
93.011107
86.4882332
27.4882332
50.44251654
43.76903896
14.48018458
9.753366518
9.753366518
5.98380978
5.98380978
3.738445528
3.738445528
null
null
null
null
301.5929746
26.16766313
33.56176029
0
0
0
0
0
0
0.0
54.87142577
785.4475972
0.719298246
1.263157895
1.894736842
0.558139535
160.0
PEPTIDE3680{[dP].A.[dL].[Bn_Gly].P.[dL].F}$PEPTIDE3680,PEPTIDE3680,1:R1-7:R2$$$
PEPTIDE3680{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3680,PEPTIDE3680,1:R1-7:R2$$$
-5.27
57
726.515
3680
null
null
8.679999999999999e+35
10.11388977
19.73595983
11.41466339
418.5192999
null
16.52234055
0.342800051
16.52234055
0.245675543
1.737377777
0.245675543
-6.733819648
-0.342800051
2.3048
213.7818
785.987
Circle
7
7
null
4
14
null
null
0
3
3
2
0
2
7
4
14
0
13
0
3
3
308
hepta_103
-6.27
4.307947499
0.824334608
35.93898261
42.60421449
5.647368313
41.35025811
0.0
0.0
33.56176029
0.0
0.0
0.0
87.83175555
68.00425988
73.84005342
27.41517112
null
-6.27
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)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O
114.6008492
41.35025811
0.0
35.93898261
11.78791537
121.4741494
19.49057905
71.55109006
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'Bn_Gly', 'P', 'dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 1.3173, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 29.1, 20.31, 20.31, 29.1, 29.1]
21.23925341
0.0
0.0
0.0
111.6479212
46.43154487
11.78791537
159.0156336
60.42418708
5.647368313
0.0
0
2020_Townsend
3680
null
177.33
7.78
521.0198523
0.0
106.1638475
-9.800600101
-5.254021273
-41.39818588
-59.31970419
-40.90964515
-50.83487658
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
0
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
0.317610476
null
b3a7819e389b51c520af0677fe03f7226011c96e64e8df717d12485b47fc260c
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,680
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'meL', 'Me_dL', 'P', 'L', 'F']
42
3681
-6.34
-6.34
Circle
9
-2.33e-16
-2.726662629
-2.25e-16
-2.85833211
-9.47e-17
-1.136011287
7.05e-16
-0.249287767
3.060397376
4301.733481
106.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
110.0
PEPTIDE3681{[dP].A.[meL].[Me_dL].P.L.F}$PEPTIDE3681,PEPTIDE3681,1:R1-7:R2$$$
PEPTIDE3681{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3681,PEPTIDE3681,1:R1-7:R2$$$
-4.49
56
714.504
3681
null
null
1.81e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.82337671
0.342792017
16.82337671
0.245675543
1.801486371
0.245675543
-7.314943196
-0.342792017
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_104
-6.34
3.154566114
-0.476829613
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
-6.34
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)NC(=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', 'A', 'meL', 'Me_dL', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3681
null
168.54
6.56
573.8328126
0.0
104.5063076
-7.778554666
-2.712272056
-50.22103334
-58.39694943
-49.32466084
-63.98898323
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
ad897712bfbcd88e9fa201dbc4289d48165577017bb661a5d28507f896378ac7
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,681
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'L', 'meL', 'P', 'Me_dL', 'F']
42
3682
-6.17
-6.17
Circle
7
-2.11e-16
-2.719712142
-1.95e-16
-2.858627772
-1.1e-16
-1.135756817
8.43e-16
-0.249287767
3.069052111
4301.733481
110.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
113.0
PEPTIDE3682{[dP].A.L.[meL].P.[Me_dL].F}$PEPTIDE3682,PEPTIDE3682,1:R1-7:R2$$$
PEPTIDE3682{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3682,PEPTIDE3682,1:R1-7:R2$$$
-4.49
56
714.504
3682
null
null
5.36e+37
9.201058546
19.58482586
10.8740383
423.8686541
null
16.8492361
0.342800051
16.8492361
0.245675544
1.817543247
0.245675544
-7.288768664
-0.342800051
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_105
-6.17
3.217537921
-0.494477593
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
-6.17
null
null
null
null
null
null
null
null
null
null
4
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=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
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'L', 'meL', 'P', 'Me_dL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 20.31, 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
3682
null
168.54
9.53
574.0492096
0.0
104.5329173
-7.805164312
-2.744005165
-50.21660093
-58.50241727
-49.5111737
-63.88609884
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
3ffca523625bce8d53952cd036f6731db1300ed369b43db1fa1496f02c739b3b
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,682
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'dL', 'meL', 'P', 'meL', 'F']
41
3683
-5.73
-5.73
Circle
6
-2.53e-16
-2.719712142
-1.6e-16
-2.858627772
-1.12e-16
-1.135756817
9.05e-16
-0.249287767
3.069052111
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
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.285714286
1.910714286
0.69047619
137.0
PEPTIDE3683{[dP].A.[dL].[meL].P.[meL].F}$PEPTIDE3683,PEPTIDE3683,1:R1-7:R2$$$
PEPTIDE3683{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3683,PEPTIDE3683,1:R1-7:R2$$$
-4.49
56
714.504
3683
null
null
3.29e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.8492361
0.342800051
16.8492361
0.245675544
1.817543247
0.245675544
-7.288768664
-0.342800051
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_106
-5.73
3.217537921
-0.494477593
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]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[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
122.784317
41.35025811
0.0
35.52907898
17.68187306
141.0718913
26.94537317
35.77554503
0
0.0
null
null
null
null
['dP', 'A', 'dL', 'meL', 'P', 'meL', 'F']
[0.2794999999999998, -0.2068000000000003, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 29.1, 20.31, 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
3683
null
168.54
24.27
574.0492096
0.0
104.5329173
-7.805164312
-2.744005165
-50.21660093
-58.50241727
-49.5111737
-63.88609884
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
3f11ff8bb5f32d1f0f3f7fb0202f9e63f25b289128e4821b3eb937d2dc853f5f
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,683
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'Me_dL', 'meL', 'P', 'L', 'F']
42
3684
-5.9
-5.9
Circle
9
-2.33e-16
-2.726662629
-2.25e-16
-2.85833211
-9.47e-17
-1.136011287
7.05e-16
-0.249287767
3.060397376
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
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
132.0
PEPTIDE3684{[dP].A.[Me_dL].[meL].P.L.F}$PEPTIDE3684,PEPTIDE3684,1:R1-7:R2$$$
PEPTIDE3684{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3684,PEPTIDE3684,1:R1-7:R2$$$
-4.49
56
714.504
3684
null
null
1.81e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.82337671
0.342792017
16.82337671
0.245675543
1.801486371
0.245675543
-7.314943196
-0.342792017
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_107
-5.9
3.154566114
-0.476829613
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
-5.9
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)NC(=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', 'A', 'Me_dL', 'meL', 'P', 'L', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 1.1616, 0.2794999999999998, 0.8193999999999995, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3684
null
168.54
17.13
573.8328126
0.0
104.5063076
-7.778554666
-2.712272056
-50.22103334
-58.39694943
-49.32466084
-63.98898323
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
b94a4efff6e2f2122eee16b620a2a19b02acc55f0bde95fbd671778d0e46432c
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,684
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'Me_dL', 'L', 'P', 'meL', 'F']
42
3685
-5.36
-5.36
Circle
1
-2.1e-16
-2.715032686
-2.14e-16
-2.857155078
-1.09e-16
-1.135675439
9.87e-16
-0.249287767
3.063444165
4301.733481
114.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
115.0
PEPTIDE3685{[dP].A.[Me_dL].L.P.[meL].F}$PEPTIDE3685,PEPTIDE3685,1:R1-7:R2$$$
PEPTIDE3685{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3685,PEPTIDE3685,1:R1-7:R2$$$
-4.49
56
714.504
3685
null
null
3.52e+38
9.201058546
19.58482586
10.8740383
423.8686541
null
16.66523726
0.342792017
16.66523726
0.245675544
1.822050661
0.245675544
-7.127735501
-0.342792017
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_108
-5.36
3.301345915
-0.481389783
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
-5.36
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)NC(=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', 'A', 'Me_dL', 'L', 'P', 'meL', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3685
null
168.54
48.31
573.663012
0.0
104.7284217
-8.00066877
-2.751823305
-50.15520499
-58.53051144
-49.41087073
-63.62568784
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
3e29593e379dde60989464e268d17b7fd9a5dca74dc448701f807a086d4962c9
cycpeptmpdb
peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv
tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl
3,685
all
CycPeptMPDB
CycPeptMPDB_Peptide_All
peptide
CycPeptMPDB_Peptide_All
['dP', 'A', 'meL', 'dL', 'P', 'meL', 'F']
41
3686
-5.22
-5.22
Circle
7
-2.49e-16
-2.715032686
-1.98e-16
-2.857155078
-1.3e-16
-1.135675439
5.08e-16
-0.249287767
3.063444165
4301.733481
119.0
null
null
98.04700538
91.9882332
26.9882332
51.97841493
46.29543216
13.95379138
9.601973316
9.601973316
5.935689461
5.935689461
3.705184518
3.705184518
null
null
null
null
298.3540197
23.3850625
33.56176029
0
0
0
0
0
0
0.0
65.83749422
779.4945474
0.714285714
1.232142857
1.803571429
0.69047619
118.0
PEPTIDE3686{[dP].A.[meL].[dL].P.[meL].F}$PEPTIDE3686,PEPTIDE3686,1:R1-7:R2$$$
PEPTIDE3686{<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE3686,PEPTIDE3686,1:R1-7:R2$$$
-4.49
56
714.504
3686
null
null
1.0999999999999999e+39
9.201058546
19.58482586
10.8740383
423.8686541
null
16.66523726
0.342792017
16.66523726
0.245675544
1.822050661
0.245675544
-7.127735501
-0.342792017
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_109
-5.22
3.301345915
-0.481389783
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
-5.22
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@@H](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', 'A', 'meL', 'dL', 'P', 'meL', 'F']
[0.2794999999999998, -0.2068000000000003, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.1616, 1.0159999999999998]
[20.31, 29.1, 20.31, 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
3686
null
168.54
59.38
573.663012
0.0
104.7284217
-8.00066877
-2.751823305
-50.15520499
-58.53051144
-49.41087073
-63.62568784
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