| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: ACY_B_7(1TUY) / Model_21(1TUY/B) = [3.3]
| Download | 514.14 | -0.62 | MHKIMAINAGSSSLKFQIFTMPGEEVLVKGLIERIGLPDAIFNMSFQNEKIKETRAINDHGKAVEILLEQLKAHQVINDLSEITGVGHRVAHGGEDFVTSCVVTDEVVKGIEAVTNLAPLHNPANIIGIKTFRELLPNAVSVAVFDTAFHQTIPQENFLYALPYELYEKHHIRKYGFHGTSHKYVAGKAAEVLEKPLEKLKIISCHLGNGASVCAIEAGKSVNTSMGFTPNAGLMMGTRSGTIDATIIPYLVDELGYSLDEVMHMMSNESGVLGVSGISSDFRDIEIAAKEGNSRALLTLRMFTGQICNYIGAYASAMNGCDALLFTAGVGENSPLIRQMVTEQLSYLGVTCHVTKNNAGDMIISNDNEAVKVCIIPTNEELMIARDVEKYAKQTIG |
| Complex: ADP_B_5(1TUY) / Model_21(1TUY/B) = [3.9]
| Download | 1164.66 | -0.90 | MHKIMAINAGSSSLKFQIFTMPGEEVLVKGLIERIGLPDAIFNMSFQNEKIKETRAINDHGKAVEILLEQLKAHQVINDLSEITGVGHRVAHGGEDFVTSCVVTDEVVKGIEAVTNLAPLHNPANIIGIKTFRELLPNAVSVAVFDTAFHQTIPQENFLYALPYELYEKHHIRKYGFHGTSHKYVAGKAAEVLEKPLEKLKIISCHLGNGASVCAIEAGKSVNTSMGFTPNAGLMMGTRSGTIDATIIPYLVDELGYSLDEVMHMMSNESGVLGVSGISSDFRDIEIAAKEGNSRALLTLRMFTGQICNYIGAYASAMNGCDALLFTAGVGENSPLIRQMVTEQLSYLGVTCHVTKNNAGDMIISNDNEAVKVCIIPTNEELMIARDVEKYAKQTIG |
| Complex: C5P_A_4(4FWR) / Model_17(4FWR/A) = [4.1]
| Download | 1431.95 | -3.30 | MHKIMAINAGSSSLKFQIFTMPGEEVLVKGLIERIGLPDAIFNMSFQNEKIKETRAINDHGKAVEILLEQLKAHQVINDLSEITGVGHRVAHGGEDFVTSCVVTDEVVKGIEAVTNLAPLHNPANIIGIKTFRELLPNAVSVAVFDTAFHQTIPQENFLYALPYELYEKHHIRKYGFHGTSHKYVAGKAAEVLEKPLEKLKIISCHLGNGASVCAIEAGKSVNTSMGFTPNAGLMMGTRSGTIDATIIPYLVDELGYSLDEVMHMMSNESGVLGVSGISSDFRDIEIAAKEGNSRALLTLRMFTGQICNYIGAYASAMNGCDALLFTAGVGENSPLIRQMVTEQLSYLGVTCHVTKNNAGDMIISNDNEAVKVCIIPTNEELMIARDVEKYAKQTIG |
| Complex: AMP_F_6(1TUU) / Model_22(1TUU/B) = [4.3]
| Download | 1116.64 | 2.16 | MHKIMAINAGSSSLKFQIFTMPGEEVLVKGLIERIGLPDAIFNMSFQNEKIKETRAINDHGKAVEILLEQLKAHQVINDLSEITGVGHRVAHGGEDFVTSCVVTDEVVKGIEAVTNLAPLHNPANIIGIKTFRELLPNAVSVAVFDTAFHQTIPQENFLYALPYELYEKHHIRKYGFHGTSHKYVAGKAAEVLEKPLEKLKIISCHLGNGASVCAIEAGKSVNTSMGFTPNAGLMMGTRSGTIDATIIPYLVDELGYSLDEVMHMMSNESGVLGVSGISSDFRDIEIAAKEGNSRALLTLRMFTGQICNYIGAYASAMNGCDALLFTAGVGENSPLIRQMVTEQLSYLGVTCHVTKNNAGDMIISNDNEAVKVCIIPTNEELMIARDVEKYAKQTIG |
| Complex: ADP_A_4(1TUY) / Model_3(1TUY/A) = [4.9]
| Download | 1466.14 | -0.19 | MHKIMAINAGSSSLKFQIFTMPGEEVLVKGLIERIGLPDAIFNMSFQNEKIKETRAINDHGKAVEILLEQLKAHQVINDLSEITGVGHRVAHGGEDFVTSCVVTDEVVKGIEAVTNLAPLHNPANIIGIKTFRELLPNAVSVAVFDTAFHQTIPQENFLYALPYELYEKHHIRKYGFHGTSHKYVAGKAAEVLEKPLEKLKIISCHLGNGASVCAIEAGKSVNTSMGFTPNAGLMMGTRSGTIDATIIPYLVDELGYSLDEVMHMMSNESGVLGVSGISSDFRDIEIAAKEGNSRALLTLRMFTGQICNYIGAYASAMNGCDALLFTAGVGENSPLIRQMVTEQLSYLGVTCHVTKNNAGDMIISNDNEAVKVCIIPTNEELMIARDVEKYAKQTIG |
Consensus
[pKd Mean = 4.10] | - | 1138
(s=341) | 0
(s=1) | MHKIMAINAGSSSLKFQIFTMPGEEVLVKGLIERIGLPDAIFNMSFQNEKIKETRAINDHGKAVEILLEQLKAHQVINDLSEITGVGHRVAHGGEDFVTSCVVTDEVVKGIEAVTNLAPLHNPANIIGIKTFRELLPNAVSVAVFDTAFHQTIPQENFLYALPYELYEKHHIRKYGFHGTSHKYVAGKAAEVLEKPLEKLKIISCHLGNGASVCAIEAGKSVNTSMGFTPNAGLMMGTRSGTIDATIIPYLVDELGYSLDEVMHMMSNESGVLGVSGISSDFRDIEIAAKEGNSRALLTLRMFTGQICNYIGAYASAMNGCDALLFTAGVGENSPLIRQMVTEQLSYLGVTCHVTKNNAGDMIISNDNEAVKVCIIPTNEELMIARDVEKYAKQTIG |