| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: GOL_A_3(3B28) / Model_87(3B28/A) = [3.1]
| Download | 896.26 | -5.70 | MENYSHRFQVNLAGMIDILSNHLYDEKDVYIRELLQNATDAIRARKKIDSTLEGKIHASLTGDNNEKTLIIEDNGIGLTEDEVHAFLATIANSSKGEKNFDGESSNDFIGRFGIGLLSCFIVSDEIVMISTSQKDGGTTEWRGKADGTYSVRKIETDTREPGTQVYLRLRAGLEDHPECEDVEYLINTLKKYGASLESNIIVEMNGLEEEINSWTKQFSDKETLSTLSREQIIQYGEYILGTHFQDYFLIENESGRTFGIAYMIPHAVQMNAIRKNTVFLNKMFVTSEANNILPDWSFFAKCVIWTDELQPVASREAFYKNERLTSVASELGVALKKGIETLPEEALMKLLATHYLGFKALASEDAPFLKLIYPYLPVRTLNGEEKLGDIIAKNDVIYYTYSVDDFRQIKDIARSSGMTLINGGYSYDSPILAQLSYFVEGTEFVLIQPEEMTDKLRPMTADEKQAYQPILTEMNSMMAEFDTDVLIKHFEPKDLPIIFIHSTATQELRELERAVEETTSVFSDILESIQKEQEPAPLAHLYLNLDNELIKRLFTSEKTVKELSVIVNVLYIQALLLGHYPLKRKEMVLMNQNMLRILEML |
| Complex: LGA_A_4(2XDU) / Model_54(2XDU/A) = [3.1]
| Download | 483.58 | 39.73 | MENYSHRFQVNLAGMIDILSNHLYDEKDVYIRELLQNATDAIRARKKIDSTLEGKIHASLTGDNNEKTLIIEDNGIGLTEDEVHAFLATIANSSKGEKNFDGESSNDFIGRFGIGLLSCFIVSDEIVMISTSQKDGGTTEWRGKADGTYSVRKIETDTREPGTQVYLRLRAGLEDHPECEDVEYLINTLKKYGASLESNIIVEMNGLEEEINSWTKQFSDKETLSTLSREQIIQYGEYILGTHFQDYFLIENESGRTFGIAYMIPHAVQMNAIRKNTVFLNKMFVTSEANNILPDWSFFAKCVIWTDELQPVASREAFYKNERLTSVASELGVALKKGIETLPEEALMKLLATHYLGFKALASEDAPFLKLIYPYLPVRTLNGEEKLGDIIAKNDVIYYTYSVDDFRQIKDIARSSGMTLINGGYSYDSPILAQLSYFVEGTEFVLIQPEEMTDKLRPMTADEKQAYQPILTEMNSMMAEFDTDVLIKHFEPKDLPIIFIHSTATQELRELERAVEETTSVFSDILESIQKEQEPAPLAHLYLNLDNELIKRLFTSEKTVKELSVIVNVLYIQALLLGHYPLKRKEMVLMNQNMLRILEML |
| Complex: 42C_A_3(4FCP) / Model_98(4FCP/A) = [3.2]
| Download | 608.09 | 30.79 | MENYSHRFQVNLAGMIDILSNHLYDEKDVYIRELLQNATDAIRARKKIDSTLEGKIHASLTGDNNEKTLIIEDNGIGLTEDEVHAFLATIANSSKGEKNFDGESSNDFIGRFGIGLLSCFIVSDEIVMISTSQKDGGTTEWRGKADGTYSVRKIETDTREPGTQVYLRLRAGLEDHPECEDVEYLINTLKKYGASLESNIIVEMNGLEEEINSWTKQFSDKETLSTLSREQIIQYGEYILGTHFQDYFLIENESGRTFGIAYMIPHAVQMNAIRKNTVFLNKMFVTSEANNILPDWSFFAKCVIWTDELQPVASREAFYKNERLTSVASELGVALKKGIETLPEEALMKLLATHYLGFKALASEDAPFLKLIYPYLPVRTLNGEEKLGDIIAKNDVIYYTYSVDDFRQIKDIARSSGMTLINGGYSYDSPILAQLSYFVEGTEFVLIQPEEMTDKLRPMTADEKQAYQPILTEMNSMMAEFDTDVLIKHFEPKDLPIIFIHSTATQELRELERAVEETTSVFSDILESIQKEQEPAPLAHLYLNLDNELIKRLFTSEKTVKELSVIVNVLYIQALLLGHYPLKRKEMVLMNQNMLRILEML |
| Complex: B2J_B_5(3B24) / Model_91(3B24/B) = [3.3]
| Download | 619.66 | 31.00 | MENYSHRFQVNLAGMIDILSNHLYDEKDVYIRELLQNATDAIRARKKIDSTLEGKIHASLTGDNNEKTLIIEDNGIGLTEDEVHAFLATIANSSKGEKNFDGESSNDFIGRFGIGLLSCFIVSDEIVMISTSQKDGGTTEWRGKADGTYSVRKIETDTREPGTQVYLRLRAGLEDHPECEDVEYLINTLKKYGASLESNIIVEMNGLEEEINSWTKQFSDKETLSTLSREQIIQYGEYILGTHFQDYFLIENESGRTFGIAYMIPHAVQMNAIRKNTVFLNKMFVTSEANNILPDWSFFAKCVIWTDELQPVASREAFYKNERLTSVASELGVALKKGIETLPEEALMKLLATHYLGFKALASEDAPFLKLIYPYLPVRTLNGEEKLGDIIAKNDVIYYTYSVDDFRQIKDIARSSGMTLINGGYSYDSPILAQLSYFVEGTEFVLIQPEEMTDKLRPMTADEKQAYQPILTEMNSMMAEFDTDVLIKHFEPKDLPIIFIHSTATQELRELERAVEETTSVFSDILESIQKEQEPAPLAHLYLNLDNELIKRLFTSEKTVKELSVIVNVLYIQALLLGHYPLKRKEMVLMNQNMLRILEML |
| Complex: A13_A_3(2QFO) / Model_53(2QFO/A) = [3.4]
| Download | 589.58 | 37.35 | MENYSHRFQVNLAGMIDILSNHLYDEKDVYIRELLQNATDAIRARKKIDSTLEGKIHASLTGDNNEKTLIIEDNGIGLTEDEVHAFLATIANSSKGEKNFDGESSNDFIGRFGIGLLSCFIVSDEIVMISTSQKDGGTTEWRGKADGTYSVRKIETDTREPGTQVYLRLRAGLEDHPECEDVEYLINTLKKYGASLESNIIVEMNGLEEEINSWTKQFSDKETLSTLSREQIIQYGEYILGTHFQDYFLIENESGRTFGIAYMIPHAVQMNAIRKNTVFLNKMFVTSEANNILPDWSFFAKCVIWTDELQPVASREAFYKNERLTSVASELGVALKKGIETLPEEALMKLLATHYLGFKALASEDAPFLKLIYPYLPVRTLNGEEKLGDIIAKNDVIYYTYSVDDFRQIKDIARSSGMTLINGGYSYDSPILAQLSYFVEGTEFVLIQPEEMTDKLRPMTADEKQAYQPILTEMNSMMAEFDTDVLIKHFEPKDLPIIFIHSTATQELRELERAVEETTSVFSDILESIQKEQEPAPLAHLYLNLDNELIKRLFTSEKTVKELSVIVNVLYIQALLLGHYPLKRKEMVLMNQNMLRILEML |
Consensus
[pKd Mean = 3.22] | - | 639
(s=137) | 26
(s=16) | MENYSHRFQVNLAGMIDILSNHLYDEKDVYIRELLQNATDAIRARKKIDSTLEGKIHASLTGDNNEKTLIIEDNGIGLTEDEVHAFLATIANSSKGEKNFDGESSNDFIGRFGIGLLSCFIVSDEIVMISTSQKDGGTTEWRGKADGTYSVRKIETDTREPGTQVYLRLRAGLEDHPECEDVEYLINTLKKYGASLESNIIVEMNGLEEEINSWTKQFSDKETLSTLSREQIIQYGEYILGTHFQDYFLIENESGRTFGIAYMIPHAVQMNAIRKNTVFLNKMFVTSEANNILPDWSFFAKCVIWTDELQPVASREAFYKNERLTSVASELGVALKKGIETLPEEALMKLLATHYLGFKALASEDAPFLKLIYPYLPVRTLNGEEKLGDIIAKNDVIYYTYSVDDFRQIKDIARSSGMTLINGGYSYDSPILAQLSYFVEGTEFVLIQPEEMTDKLRPMTADEKQAYQPILTEMNSMMAEFDTDVLIKHFEPKDLPIIFIHSTATQELRELERAVEETTSVFSDILESIQKEQEPAPLAHLYLNLDNELIKRLFTSEKTVKELSVIVNVLYIQALLLGHYPLKRKEMVLMNQNMLRILEML |