system_id
stringlengths
17
57
split
stringclasses
1 value
entry_pdb_id
stringlengths
4
4
entry_determination_method
stringclasses
8 values
entry_resolution
float32
0.64
37
is_experimental
bool
1 class
protein_sequence
stringlengths
2
5.16k
protein_chain_id
stringclasses
455 values
protein_instance_chain
stringlengths
3
5
ligand_smiles
stringlengths
2
604
ligand_ccd_code
stringlengths
1
135
ligand_instance_chain
stringlengths
3
5
ligand_is_proper
bool
2 classes
ligand_is_covalent
bool
2 classes
ligand_molecular_weight
float32
7.02
3.45k
system_pass_validation_criteria
bool
2 classes
system_num_protein_chains
int32
1
5
system_num_ligand_chains
int32
1
5
8qq3__1__1.B_1.D__1.G_1.H
train
8qq3
X-RAY DIFFRACTION
1.6
true
MASMTGGQQMGRDQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
B
1.B
[Ni+2]
NI
1.H
false
false
57.934246
false
2
2
8qre__1__1.B_1.F__1.CA
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
B
1.B
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.CA
true
false
180.063385
false
2
1
8qq3__1__1.B_1.D__1.K
train
8qq3
X-RAY DIFFRACTION
1.6
true
MASMTGGQQMGRDQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
B
1.B
O=C1N[C@H]2[C@H](CS[C@H]2CCCCNC2CCC(C(=O)Nc3cccc4cccnc34)(C(=O)Nc3cccc4cccnc34)CC2)N1
WKF
1.K
true
false
637.283508
false
2
1
8qq1__1__1.A__1.D
train
8qq1
X-RAY DIFFRACTION
1.941
true
QKISFPYLGKITHLKRLNHDTREIQIHLSRPFNYQSGQFAFLKIFQEGFESAPHPFSISGGHGQTLYFTVKTSGDHTKNIYDNLQAGSKVTLDRAYGHMIIEEGRENQVWIAGGIGITPFISYIREHPILDKQVHFYYSFRGDENAVYLDLLRNYAQKNPNFELHLIDSTKDGYLNFEQKEVPEHATVYMCGPISMMKALAKQIKKQNPKTELIYEGWKFK
A
1.A
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C
FAD
1.D
true
false
785.157104
false
1
1
8qqg__1__1.A__1.D
train
8qqg
X-RAY DIFFRACTION
2.979
true
DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLP
A
1.A
Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N[C@H](C)CO)nc(N2CCOCC2)c1
WJ9
1.D
true
false
521.261353
true
1
1
8qre__1__1.B_1.C__1.S
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
B
1.B
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.S
true
false
180.063385
false
2
1
8qqc__1__1.A__1.B_1.C
train
8qqc
X-RAY DIFFRACTION
1.3
true
MENSARQVAQDTRELHLLQHIKSDQSYIYVFVFLYYRDHSVRVWKLTNPVSISETLDYDDLINNVNRCKSAREPAIYYREGITGNDAGDSIIDKAYCEPVSFMIVACGDVDIQTIEVNIQGYDEIEGVGILDSNVTPPYAITATKFERKTSGGYIFYTYCGLFGHGDRGHPTMAVGVEKKNRNAFGRMHPMYVAANYKRRNFWAKKDWWFPTEGQMVEQFIKQQSIPYVTADNVMIAPCVREIRHHAHY
A
1.A
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
GTP
1.B
true
false
522.990662
false
1
2
8qqc__1__1.A__1.B_1.C
train
8qqc
X-RAY DIFFRACTION
1.3
true
MENSARQVAQDTRELHLLQHIKSDQSYIYVFVFLYYRDHSVRVWKLTNPVSISETLDYDDLINNVNRCKSAREPAIYYREGITGNDAGDSIIDKAYCEPVSFMIVACGDVDIQTIEVNIQGYDEIEGVGILDSNVTPPYAITATKFERKTSGGYIFYTYCGLFGHGDRGHPTMAVGVEKKNRNAFGRMHPMYVAANYKRRNFWAKKDWWFPTEGQMVEQFIKQQSIPYVTADNVMIAPCVREIRHHAHY
A
1.A
[Mg+2]
MG
1.C
false
false
23.983944
false
1
2
8qq5__1__1.A__1.D
train
8qq5
X-RAY DIFFRACTION
2.5
true
GSKISFPYLGKITHLKRLNHDTREIQIHLSRPFNYQSGQFAFLKIFQEGFESAPHPFSISGGHGQTLYFTVKTSGDHTKNIYDNLQAGSKVTLDRAYGHMIIEEGRENQVWIAGGIGITPFISYIREHPILDKQVHFYYSFRGDENAVYLDLLRNYAQKNPNFELHLIDSTKDGYLNFEQKEVPEHATVYMCGPISMMKALAKQIKKQNPKTELIYEGFKFK
A
1.A
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C
FAD
1.D
true
false
785.157104
false
1
1
8qre__1__1.D_1.E__1.X_1.Y
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
D
1.D
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.X
true
false
180.063385
false
2
2
8qre__1__1.A_1.B_1.C_1.E_1.F__1.N
train
8qre
X-RAY DIFFRACTION
2.3
true
NDDKLYRADSRPPDEIKQSGGLMPRGQSEYFDRGTQMNINLYDHARGTQTGFVRHDDGYVSTSISLRSAHLVGQTILSGHSTYYIYVIATAPNMFNVNDVLGAYSPHPDEQEVSALGGIPYSQIYGWYRVHFGVLDEQLHRNRGYRDRYYSNLDIAPAADGYGLAGFPPEHRAWREEPWIHHAPPGCGNAPRSSMSNTCDEKTQSLGVKFLDEYQSKVKRQIFSGYQSDIDTHNRIKDEL
A
1.A
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.N
true
false
180.063385
false
5
1
8qre__1__1.A_1.B_1.C_1.E_1.F__1.N
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
B
1.B
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.N
true
false
180.063385
false
5
1
8qre__1__1.E_1.F__1.AA
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
E
1.E
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.AA
true
false
180.063385
false
2
1
8qqy__1__1.A__1.B
train
8qqy
X-RAY DIFFRACTION
1.8
true
GDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSG
A
1.A
COc1cc(-c2cnc3nc2NCCCNS(=O)(=O)c2cccc(c2)N3)ccc1F
WT3
1.B
true
false
429.127075
true
1
1
8qqk__1__1.A_1.B__1.J_1.K
train
8qqk
ELECTRON MICROSCOPY
null
true
MFGKLSLDAVPFHEPIVMVTIAGIILGGLALVGLITYFGKWTYLWKEWLTSVDHKRLGIMYIIVAIVMLLRGFADAIMMRSQQALASAGEAGFLPPHHYDQIFTAHGVIMIFFVAMPFVIGLMNLVVPLQIGARDVAFPFLNNLSFWFTVVGVILVNVSLGVGEFAQTGWLAYPPLSGIEYSPGVGVDYWIWSLQLSGIGTTLTGINFFVTILKMRAPGMTMFKMPVFTWASLCANVLIIASFPILTVTVALLTLDRYLGTHFFTNDMGGNMMMYINLIWAWGHPEVYILILPVFGVFSEIAATFSRKRLFGYTSLVWAT...
A
1.A
C=Cc1c(C)c2n3c1=CC1=[N+]4C(=Cc5c(CCC(=O)O)c(C)c6n5[Fe]34[N+]3=C(C=2)C([C@@H](O)CC/C=C(/C)CCC=C(C)CCC=C(C)C)=C(C)C3=C6)C(CCC(=O)O)=C1C
HEO
1.J
true
false
838.374573
false
2
2
8qqk__1__1.A_1.B__1.J_1.K
train
8qqk
ELECTRON MICROSCOPY
null
true
MRLRKYNKSLGWLSLFAGTVLLSGCNSALLDPKGQIGLEQRSLILTAFGLMLIVVIPAILMAVGFAWKYRASNKDAKYSPNWSHSNKVEAVVWTVPILIIIFLAVLTWKTTHALEPSKPLAHDEKPITIEVVSMDWKWFFIYPEQGIATVNEIAFPANTPVYFKVTSNSVMNSFFIPRLGSQIYAMAGMQTRLHLIANEPGTYDGISASYSGPGFSGMKFKAIATPDRAAFDQWVAKAKQSPNTMSDMAAFEKLAAPSEYNQVEYFSNVKPDLFADVINKFMAHGKSMDMTQPEGEHSAHEGMEGMDMSHAESAH
B
1.B
C=Cc1c(C)c2n3c1=CC1=[N+]4C(=Cc5c(CCC(=O)O)c(C)c6n5[Fe]34[N+]3=C(C=2)C([C@@H](O)CC/C=C(/C)CCC=C(C)CCC=C(C)C)=C(C)C3=C6)C(CCC(=O)O)=C1C
HEO
1.J
true
false
838.374573
false
2
2
8qqk__1__1.A_1.B__1.J_1.K
train
8qqk
ELECTRON MICROSCOPY
null
true
MFGKLSLDAVPFHEPIVMVTIAGIILGGLALVGLITYFGKWTYLWKEWLTSVDHKRLGIMYIIVAIVMLLRGFADAIMMRSQQALASAGEAGFLPPHHYDQIFTAHGVIMIFFVAMPFVIGLMNLVVPLQIGARDVAFPFLNNLSFWFTVVGVILVNVSLGVGEFAQTGWLAYPPLSGIEYSPGVGVDYWIWSLQLSGIGTTLTGINFFVTILKMRAPGMTMFKMPVFTWASLCANVLIIASFPILTVTVALLTLDRYLGTHFFTNDMGGNMMMYINLIWAWGHPEVYILILPVFGVFSEIAATFSRKRLFGYTSLVWAT...
A
1.A
[Cu+2]
CU
1.K
false
false
62.928501
false
2
2
8qqc__1__3.A__3.B_3.C
train
8qqc
X-RAY DIFFRACTION
1.3
true
MENSARQVAQDTRELHLLQHIKSDQSYIYVFVFLYYRDHSVRVWKLTNPVSISETLDYDDLINNVNRCKSAREPAIYYREGITGNDAGDSIIDKAYCEPVSFMIVACGDVDIQTIEVNIQGYDEIEGVGILDSNVTPPYAITATKFERKTSGGYIFYTYCGLFGHGDRGHPTMAVGVEKKNRNAFGRMHPMYVAANYKRRNFWAKKDWWFPTEGQMVEQFIKQQSIPYVTADNVMIAPCVREIRHHAHY
A
3.A
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
GTP
3.B
true
false
522.990662
false
1
2
8qqc__1__3.A__3.B_3.C
train
8qqc
X-RAY DIFFRACTION
1.3
true
MENSARQVAQDTRELHLLQHIKSDQSYIYVFVFLYYRDHSVRVWKLTNPVSISETLDYDDLINNVNRCKSAREPAIYYREGITGNDAGDSIIDKAYCEPVSFMIVACGDVDIQTIEVNIQGYDEIEGVGILDSNVTPPYAITATKFERKTSGGYIFYTYCGLFGHGDRGHPTMAVGVEKKNRNAFGRMHPMYVAANYKRRNFWAKKDWWFPTEGQMVEQFIKQQSIPYVTADNVMIAPCVREIRHHAHY
A
3.A
[Mg+2]
MG
3.C
false
false
23.983944
false
1
2
8qqg__3__1.C__1.K
train
8qqg
X-RAY DIFFRACTION
2.979
true
DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLP
C
1.C
Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N[C@H](C)CO)nc(N2CCOCC2)c1
WJ9
1.K
true
false
521.261353
true
1
1
8qre__2__1.H_1.I__1.IA
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
H
1.H
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
GLA
1.IA
true
false
180.063385
false
2
1
8qre__2__1.I_1.J__1.KA
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
I
1.I
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.KA
true
false
180.063385
false
2
1
8qqk__1__1.A__1.I
train
8qqk
ELECTRON MICROSCOPY
null
true
MFGKLSLDAVPFHEPIVMVTIAGIILGGLALVGLITYFGKWTYLWKEWLTSVDHKRLGIMYIIVAIVMLLRGFADAIMMRSQQALASAGEAGFLPPHHYDQIFTAHGVIMIFFVAMPFVIGLMNLVVPLQIGARDVAFPFLNNLSFWFTVVGVILVNVSLGVGEFAQTGWLAYPPLSGIEYSPGVGVDYWIWSLQLSGIGTTLTGINFFVTILKMRAPGMTMFKMPVFTWASLCANVLIIASFPILTVTVALLTLDRYLGTHFFTNDMGGNMMMYINLIWAWGHPEVYILILPVFGVFSEIAATFSRKRLFGYTSLVWAT...
A
1.A
C=CC1=C(C)C2=Cc3c(C)c(CCC(=O)O)c4n3[Fe]35<-N6=C(C=c7c(C=C)c(C)c(n73)=CC1=N->52)C(C)=C(CCC(=O)O)C6=C4
HEM
1.I
true
false
616.177307
false
1
1
8qre__2__1.J_1.K__1.NA
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
J
1.J
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.NA
true
false
180.063385
false
2
1
8qre__1__1.C_1.D__1.U
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
C
1.C
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.U
true
false
180.063385
false
2
1
8qq7__1__1.A__1.D
train
8qq7
X-RAY DIFFRACTION
3.62
true
MEFSMKSVKGLLFIIASFILTLLTWMNTSPQFMIPGLALTSLSLTFILATRLPLLESWFHSLEKVYTVHKFTAFLSIILLIFHNFSMGGLWGSRLAAQFGNLAIYIFASIILVAYLGKYIQYEAWRWIHRLVYLAYILGLFHIYMIMGNRLLTFNLLSFLVGSYALLGLLAGFYIIFLYQKISFPYLGKITHLKRLNHDTREIQIHLSRPFNYQSGQFAFLKIFQEGFESAPHPFSISGGHGQTLYFTVKTSGDHTKNIYDNLQAGSKVTLDRAYGHMIIEEGRENQVWIAGGIGITPFISYIREHPILDKQVHFYYSFR...
A
1.A
C=CC1=C(C)C2=Cc3c(C)c(CCC(=O)O)c4n3[Fe]35<-N6=C(C=c7c(C=C)c(C)c(n73)=CC1=N->52)C(C)=C(CCC(=O)O)C6=C4
HEM
1.D
true
false
616.177307
false
1
1
8qqg__2__1.B__1.H
train
8qqg
X-RAY DIFFRACTION
2.979
true
DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLP
B
1.B
Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(N[C@H](C)CO)nc(N2CCOCC2)c1
WJ9
1.H
true
false
521.261353
false
1
1
8qre__2__1.K_1.L__1.PA
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
K
1.K
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.PA
true
false
180.063385
false
2
1
8qre__2__1.H_1.L__1.QA_1.SA
train
8qre
X-RAY DIFFRACTION
2.3
true
TPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMAN
H
1.H
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
GAL
1.QA
true
false
180.063385
false
2
2
8qrf__1__1.A_1.B_1.C__1.F
train
8qrf
X-RAY DIFFRACTION
3.7
true
HHHHHHTNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGKK
A
1.A
CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
NAG-NAG-BMA-FUC
1.F
true
true
716.285156
false
3
1
8qrf__1__1.A_1.B_1.C__1.F
train
8qrf
X-RAY DIFFRACTION
3.7
true
AIRMTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGTSPSWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B
1.B
CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
NAG-NAG-BMA-FUC
1.F
true
true
716.285156
false
3
1
8qrf__1__1.A_1.B_1.C__1.F
train
8qrf
X-RAY DIFFRACTION
3.7
true
EVQLVQSGAEVKKPGSSVKVSCKASGGTFSSSVISWVRQAPGQGLEWMGGIIPLFGSANYAQKFQGRVTITADESTSTAYMEMTSLRSEDTAVYYCAKVSQWALILFWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK
C
1.C
CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
NAG-NAG-BMA-FUC
1.F
true
true
716.285156
false
3
1
8qq3__1__1.A_1.B_1.C__1.E_1.F_1.I_1.J
train
8qq3
X-RAY DIFFRACTION
1.6
true
MASMTGGQQMGRDQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
A
1.A
O=C1N[C@H]2[C@H](CS[C@H]2CCCCNC2CCC(C(=O)Nc3cccc4cccnc34)(C(=O)Nc3cccc4cccnc34)CC2)N1
WKF
1.E
true
false
637.283508
false
3
4
8qq3__1__1.A_1.B_1.C__1.E_1.F_1.I_1.J
train
8qq3
X-RAY DIFFRACTION
1.6
true
MASMTGGQQMGRDQAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAASIDAAKKAGVNNGNPLDAVQQ
A
1.A
[Ni+2]
NI
1.F
false
false
57.934246
false
3
4
8qrh__1__1.A_1.B__1.G
train
8qrh
ELECTRON MICROSCOPY
null
true
SRCTHLENRDFVTGTQGTTRVTLVLELGGCVTITAEGKPSMDVWLDSIYQENPAKTREYCLHAKLSDTKVAARCPTMGPATLAEEHQSGTVCKRDQSDRGWGNHCGLFGKGSIVTCVKASCEAKKKATGHVYDANKIVYTVKVEPHTGDYVAANETHSGRKTASFTVSSEKTILTMGDYGDVSLLCRVASGVDLAQTVILELDKTSEHLPTAWQVHRDWFNDLALPWKHEGAQNWNNAERLVEFGAPHAVKMDVYNLGDHTGVLLKSLAGVPVAHIDGTKYHLKSGHVTCEVGLEKLKMKGLTYTMCDKTKFTWKRIPTD...
A
1.A
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.G
true
true
221.089935
false
2
1
8qrg__1__1.A__1.E
train
8qrg
X-RAY DIFFRACTION
2.3
true
HHHHHHTNLCPFGEVFNATRFASVYAWNRKRISNCVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIADYNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYRYRLFRKSNLKPFERDISTEIYQAGSKPCNGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGKK
A
1.A
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.E
true
true
221.089935
true
1
1
8qrt__1__1.B__1.F
train
8qrt
X-RAY DIFFRACTION
2
true
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
B
1.B
Cc1ccsc1C1=NO[C@@]2(CCN(Cc3c(F)cccc3F)C2=O)C1
WP2
1.F
true
false
362.090057
true
1
1
8qrh__1__1.C__1.I
train
8qrh
ELECTRON MICROSCOPY
null
true
SRCTHLENRDFVTGTQGTTRVTLVLELGGCVTITAEGKPSMDVWLDSIYQENPAKTREYCLHAKLSDTKVAARCPTMGPATLAEEHQSGTVCKRDQSDRGWGNHCGLFGKGSIVTCVKASCEAKKKATGHVYDANKIVYTVKVEPHTGDYVAANETHSGRKTASFTVSSEKTILTMGDYGDVSLLCRVASGVDLAQTVILELDKTSEHLPTAWQVHRDWFNDLALPWKHEGAQNWNNAERLVEFGAPHAVKMDVYNLGDHTGVLLKSLAGVPVAHIDGTKYHLKSGHVTCEVGLEKLKMKGLTYTMCDKTKFTWKRIPTD...
C
1.C
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.I
true
true
221.089935
false
1
1
8qrt__1__1.A__1.E
train
8qrt
X-RAY DIFFRACTION
2
true
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
A
1.A
Cc1ccsc1C1=NO[C@@]2(CCN(Cc3c(F)cccc3F)C2=O)C1
WP2
1.E
true
false
362.090057
true
1
1
8qrt__2__1.D__1.H
train
8qrt
X-RAY DIFFRACTION
2
true
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
D
1.D
Cc1ccsc1C1=NO[C@@]2(CCN(Cc3c(F)cccc3F)C2=O)C1
WP2
1.H
true
false
362.090057
true
1
1
8qs0__1__1.B__1.F
train
8qs0
X-RAY DIFFRACTION
2.3
true
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
B
1.B
Cc1ccsc1C1=NO[C@@]2(CCCN(Cc3c(F)cccc3F)C2=O)C1
WOX
1.F
true
false
376.105713
false
1
1
8qs0__2__1.C__1.G
train
8qs0
X-RAY DIFFRACTION
2.3
true
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
C
1.C
Cc1ccsc1C1=NO[C@@]2(CCCN(Cc3c(F)cccc3F)C2=O)C1
WOX
1.G
true
false
376.105713
false
1
1
8qsj__1__1.DB__1.VC
train
8qsj
ELECTRON MICROSCOPY
null
true
MAALTLRGVRELLKRVDLATVPRRHRYKKKWAATEPKFPAVRLALQNFDMTYSVQFGDLWPSIRVSLLSEQKYGALVNNFAAWDHVSAKLEQLSAKDFVNEAISHWELQSEGGQSAAPSPASWACSPNLRCFTFDRGDISRFPPARPGSLGVMEYYLMDAASLLPVLALGLQPGDIVLDLCAAPGGKTLALLQTGCCRNLAANDLSPSRIARLQKILHSYVPEEIRDGNQVRVTSWDGRKWGELEGDTYDRVLVDVPCTTDRHSLHEEENNIFKRSRKKERQILPVLQVQLLAAGLLATKPGGHVVYSTCSLSHLQNEYV...
DB
1.DB
C[S@@+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
SAM
1.VC
true
false
398.137238
false
1
1
8qsj__1__1.FB__1.WC_1.XC
train
8qsj
ELECTRON MICROSCOPY
null
true
MRLTPRALCSAAQAAWRENFPLCGRDVARWFPGHMAKGLKKMQSSLKLVDCIIEVHDARIPLSGRNPLFQETLGLKPHLLVLNKMDLADLTEQQKIMQHLEGEGLKNVIFTNCVKDENVKQIIPMVTELIGRSHRYHRKENLEYCIMVIGVPNVGKSSLINSLRRQHLRKGKATRVGGEPGITRAVMSKIQVSERPLMFLLDTPGVLAPRIESVETGLKLALCGTVLDHLVGEETMADYLLYTLNKHQRFGYVQHYGLGSACDNVERVLKSVAVKLGKTQKVKVLTGTGNVNIIQPNYPAAARDFLQTFRRGLLGSVMLD...
FB
1.FB
Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)(O)O[P@](=O)(O)NP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
GNP
1.WC
true
false
522.006653
false
1
2
8qsj__1__1.FB__1.WC_1.XC
train
8qsj
ELECTRON MICROSCOPY
null
true
MRLTPRALCSAAQAAWRENFPLCGRDVARWFPGHMAKGLKKMQSSLKLVDCIIEVHDARIPLSGRNPLFQETLGLKPHLLVLNKMDLADLTEQQKIMQHLEGEGLKNVIFTNCVKDENVKQIIPMVTELIGRSHRYHRKENLEYCIMVIGVPNVGKSSLINSLRRQHLRKGKATRVGGEPGITRAVMSKIQVSERPLMFLLDTPGVLAPRIESVETGLKLALCGTVLDHLVGEETMADYLLYTLNKHQRFGYVQHYGLGSACDNVERVLKSVAVKLGKTQKVKVLTGTGNVNIIQPNYPAAARDFLQTFRRGLLGSVMLD...
FB
1.FB
[Mg+2]
MG
1.XC
false
false
23.983944
false
1
2
8qs0__1__1.A__1.E
train
8qs0
X-RAY DIFFRACTION
2.3
true
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
A
1.A
Cc1ccsc1C1=NO[C@@]2(CCCN(Cc3c(F)cccc3F)C2=O)C1
WOX
1.E
true
false
376.105713
false
1
1
8qsk__1__1.A_1.B__1.C_1.F_1.K_1.Q_1.R
train
8qsk
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.C
true
false
486.370911
false
2
5
8qrt__2__1.C__1.G
train
8qrt
X-RAY DIFFRACTION
2
true
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
C
1.C
Cc1ccsc1C1=NO[C@@]2(CCN(Cc3c(F)cccc3F)C2=O)C1
WP2
1.G
true
false
362.090057
true
1
1
8qs0__2__1.D__1.H
train
8qs0
X-RAY DIFFRACTION
2.3
true
MKHHHHHHPMASAATESATATATLEETLAQRLRLGSLEPDGLSYKESFIVRSYEVGVNKTATVETIANLLQEVGCNHAQSVGFSTDGFATTTTMRLLRLIWVTARMHIEIYKYPAWGDVVEIETWCQEDGKIGTRRDWIIKDYSTGVVIGRATSKWVMMNQDTRRLQRVNDEVREEYLIFCPRTPRLAFPEEDSDSLKKIPKLEEPAQSSKLGLVPRRADLDMNQHVNNVTYIGWVLESIPQEIIDTHELQTITLDYRRECQHDDIVDSLSSREFGDTPQNGNHSTGRKEGECQFLHFLKLSGSGLEINRGRTQWRRLAK
D
1.D
Cc1ccsc1C1=NO[C@@]2(CCCN(Cc3c(F)cccc3F)C2=O)C1
WOX
1.H
true
false
376.105713
false
1
1
8qsk__1__1.A_1.B__1.D_1.M
train
8qsk
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.D
true
false
486.370911
false
2
2
8qrh__1__1.A_1.B__1.H
train
8qrh
ELECTRON MICROSCOPY
null
true
SRCTHLENRDFVTGTQGTTRVTLVLELGGCVTITAEGKPSMDVWLDSIYQENPAKTREYCLHAKLSDTKVAARCPTMGPATLAEEHQSGTVCKRDQSDRGWGNHCGLFGKGSIVTCVKASCEAKKKATGHVYDANKIVYTVKVEPHTGDYVAANETHSGRKTASFTVSSEKTILTMGDYGDVSLLCRVASGVDLAQTVILELDKTSEHLPTAWQVHRDWFNDLALPWKHEGAQNWNNAERLVEFGAPHAVKMDVYNLGDHTGVLLKSLAGVPVAHIDGTKYHLKSGHVTCEVGLEKLKMKGLTYTMCDKTKFTWKRIPTD...
A
1.A
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.H
true
true
221.089935
false
2
1
8qsk__1__1.B__1.P
train
8qsk
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
B
1.B
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.P
true
false
486.370911
false
1
1
8qsk__1__1.A_1.B__1.H_1.I_1.J_1.L_1.O
train
8qsk
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.H
true
false
486.370911
false
2
5
8qsk__1__1.A__1.E
train
8qsk
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.E
true
true
221.089935
false
1
1
8qsk__1__1.B__1.N
train
8qsk
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.N
true
true
221.089935
false
1
1
8qsl__1__1.A_1.B__1.E_1.M
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.E
true
false
486.370911
false
2
2
8qsl__1__1.A__1.G
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.G
true
false
486.370911
false
1
1
8qsl__1__1.A__1.F
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.F
true
true
221.089935
false
1
1
8qsl__1__1.A_1.B__1.C_1.D_1.R
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.C
true
false
486.370911
false
2
3
8qsl__1__1.A_1.B__1.J_1.K_1.L
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.K
true
false
486.370911
false
2
3
8qsl__1__1.A__1.I
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.I
true
false
486.370911
false
1
1
8qsl__1__1.B__1.Q
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
B
1.B
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.Q
true
false
486.370911
false
1
1
8qso__1__1.A__1.B
train
8qso
X-RAY DIFFRACTION
2.106
true
GKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAA...
A
1.A
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
GLC-GLC
1.B
true
false
342.116211
false
1
1
8qsl__1__1.A__1.H
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.H
true
false
486.370911
false
1
1
8qsl__1__1.B__1.P
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
B
1.B
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.P
true
false
486.370911
false
1
1
8qtc__1__1.A__1.B
train
8qtc
X-RAY DIFFRACTION
3.5
true
MASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
A
1.A
C[C@H](NC(=O)[C@H](COP(=O)(O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@H]1C(=O)O
SER-ASN-SEP-ALA-PRO
1.B
true
false
554.173767
false
1
1
8qtf__1__1.A__1.K_1.SA
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
A
1.A
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.K
true
false
824.366211
true
1
2
8qsq__1__1.B__1.H
train
8qsq
ELECTRON MICROSCOPY
null
true
STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGN...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.H
true
true
221.089935
false
1
1
8qsl__1__1.B__1.O
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
B
1.B
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.O
true
false
486.370911
false
1
1
8qso__1__1.A__1.C
train
8qso
X-RAY DIFFRACTION
2.106
true
GKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAA...
A
1.A
CCOc1cccc2c1OCC(=O)NC1CCC(CC1)CC(=O)N[C@@H](c1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NC)Cc1ccc(cc1)NC2
WXW
1.C
true
false
802.405396
false
1
1
8qsq__1__1.B__1.C
train
8qsq
ELECTRON MICROSCOPY
null
true
STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGN...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.C
true
true
221.089935
false
1
1
8qtf__2__1.C__1.M
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
C
1.C
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.M
true
false
824.366211
true
1
1
8qsq__1__1.B__1.D
train
8qsq
ELECTRON MICROSCOPY
null
true
STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGN...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.D
true
true
221.089935
false
1
1
8qsq__1__1.B__1.E
train
8qsq
ELECTRON MICROSCOPY
null
true
STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGN...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.E
true
true
221.089935
false
1
1
8qsq__1__1.B__1.F
train
8qsq
ELECTRON MICROSCOPY
null
true
STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGN...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.F
true
true
221.089935
false
1
1
8qsq__1__1.B__1.G
train
8qsq
ELECTRON MICROSCOPY
null
true
STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGN...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.G
true
true
221.089935
false
1
1
8qsl__1__1.B__1.N
train
8qsl
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
B
1.B
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O
NAG
1.N
true
true
221.089935
false
1
1
8qsk__1__1.A__1.G
train
8qsk
ELECTRON MICROSCOPY
null
true
MEGSGGGAGERAPAAGARRAAAAAAAAGAFAGRRAACGAVLLTELLERAAFYGITSNLVLFLNGAPFCWEGAQASEALLLFMGLTYLGSPFGGWLADARLGRARAILLSLALYLLGMLAFPLLAAPATRAALCGSARLLNCTAPGPDAAARCCSPATFAGLVLVGLGVATVKANITPFGADQVKDRGPEATRRFFNWFYWSINLGAILSLGGIAYIQQNVSFVTGYAIPTVCVGLAFVVFLCGQSVFITKPPDGSAFTDMFKILTYSCCSQKRSGERQSNGEGIGVFQQSSKQSLFDSCKMSHGGPFTEEKVEDVKALVK...
A
1.A
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
Y01
1.G
true
false
486.370911
false
1
1
8qtf__3__1.E__1.O
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
E
1.E
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.O
true
false
824.366211
true
1
1
8qtf__4__1.H__1.R
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
H
1.H
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.R
true
false
824.366211
true
1
1
8qtf__2__1.D__1.N
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
D
1.D
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.N
true
false
824.366211
true
1
1
8qtf__3__1.F__1.P
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
F
1.F
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.P
true
false
824.366211
true
1
1
8qtf__1__1.B__1.L
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
B
1.B
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.L
true
false
824.366211
true
1
1
8qtf__5__1.I__1.S
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
I
1.I
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.S
true
false
824.366211
true
1
1
8qtl__1__1.B_1.C__1.J
train
8qtl
X-RAY DIFFRACTION
1.85
true
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERR
B
1.B
CC1=NCCC[C@@]12CCCCC21OCCO1
WSP
1.J
true
false
223.157227
false
2
1
8qtf__4__1.G__1.Q_1.TA
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
G
1.G
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.Q
true
false
824.366211
true
1
2
8qtl__1__1.C_1.D__1.L
train
8qtl
X-RAY DIFFRACTION
1.85
true
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERR
C
1.C
CC1=NCCC[C@@]12CCCCC21OCCO1
WSP
1.L
true
false
223.157227
false
2
1
8qtf__5__1.J__1.T
train
8qtf
X-RAY DIFFRACTION
1.9
true
GAMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDMQD
J
1.J
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
ARG-ILE-SER-ASN-SEP-ALA-PRO
1.T
true
false
824.366211
true
1
1
8qtl__1__1.A_1.B__1.G
train
8qtl
X-RAY DIFFRACTION
1.85
true
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERR
A
1.A
CC1=NCCC[C@@]12CCCCC21OCCO1
WSP
1.G
true
false
223.157227
true
2
1
8qtl__1__1.C__1.F
train
8qtl
X-RAY DIFFRACTION
1.85
true
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERR
C
1.C
CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)CO[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O
NAG-NAG-BMA-MAN
1.F
true
true
732.280029
false
1
1
8qtl__1__1.D_1.E__1.N
train
8qtl
X-RAY DIFFRACTION
1.85
true
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERR
D
1.D
CC1=NCCC[C@@]12CCCCC21OCCO1
WSP
1.N
true
false
223.157227
true
2
1
8qtl__1__1.A_1.E__1.H
train
8qtl
X-RAY DIFFRACTION
1.85
true
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERR
A
1.A
CC1=NCCC[C@@]12CCCCC21OCCO1
WSP
1.H
true
false
223.157227
true
2
1
8qtt__2__1.G__1.H_1.X
train
8qtt
X-RAY DIFFRACTION
2.35
true
AGMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDRG
G
1.G
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O
LEU-PHE-SEP-ALA-PRO
1.H
true
false
597.256348
true
1
2
8qtt__5__1.Q__1.CA_1.R
train
8qtt
X-RAY DIFFRACTION
2.35
true
AGMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDRG
Q
1.Q
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O
GLU-LEU-PHE-SEP-ALA-PRO
1.R
true
false
726.29895
true
1
2
8qtt__3__1.K__1.L
train
8qtt
X-RAY DIFFRACTION
2.35
true
AGMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDRG
K
1.K
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O
GLU-LEU-PHE-SEP-ALA-PRO
1.L
true
false
726.29895
false
1
1
8qtt__2__1.E__1.F_1.W
train
8qtt
X-RAY DIFFRACTION
2.35
true
AGMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDRG
E
1.E
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O
GLU-LEU-PHE-SEP-ALA-PRO
1.F
true
false
726.29895
true
1
2
8qu8__1__1.A_1.F__1.J
train
8qu8
ELECTRON MICROSCOPY
3.5
true
PRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
A
1.A
Cc1ncsc1-c1ccc([C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)n2cc(OCCCCN3CCCN(c4nccc(-c5noc([C@@]6(C)CCCc7sc(N)c(C#N)c76)n5)n4)[C@@H](C)C3)nn2)cc1
WYL
1.J
true
false
1,018.441833
false
2
1
8qu8__1__1.A_1.F__1.J
train
8qu8
ELECTRON MICROSCOPY
3.5
true
GMTEYKLVVVGAVGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
F
1.F
Cc1ncsc1-c1ccc([C@H](CO)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C(C)C)n2cc(OCCCCN3CCCN(c4nccc(-c5noc([C@@]6(C)CCCc7sc(N)c(C#N)c76)n5)n4)[C@@H](C)C3)nn2)cc1
WYL
1.J
true
false
1,018.441833
false
2
1
8qtt__1__1.C__1.D_1.V
train
8qtt
X-RAY DIFFRACTION
2.35
true
AGMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDRG
C
1.C
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O
GLU-LEU-PHE-SEP-ALA-PRO
1.D
true
false
726.29895
true
1
2
8qtt__1__1.A__1.B_1.U
train
8qtt
X-RAY DIFFRACTION
2.35
true
AGMASGREEFVYMAKLAEQAERYEEMVEFMEKVSAAVDGDELTVEERNLLSVAYKNVIGARRASWRIISSIEQKEESRGNDDHVTAIREYRSKIETELSGICDGILKLLDSRLIPAAASGDSKVFYLKMKGDYHRYLAEFKTGQERKDAAEHTLAAYKSAQDIANAELAPTHPIRLGLALNFSVFYYEILNSPDRACNLAKQAFDEAIAELDTLGEESYKDSTLIMQLLRDNLTLWTSDRG
A
1.A
CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](COP(=O)(O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C=O
GLU-LEU-PHE-SEP-ALA-PRO
1.B
true
false
726.29895
true
1
2