| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: C5P_A_7(1W77) / Model_6(1W77/A) = [3.3]
| Download | 902.20 | 20.15 | MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV |
| Complex: ACY_B_8(1VPA) / Model_27(1VPA/B) = [3.4]
| Download | 362.21 | -3.00 | MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV |
| Complex: PGR_B_5(3N9W) / Model_21(3N9W/B) = [4.1]
| Download | 538.63 | 18.30 | MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV |
| Complex: C5P_B_4(2XWM) / Model_23(2XWM/B) = [4.5]
| Download | 748.47 | 10.67 | MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV |
| Complex: C5P_A_3(2XWM) / Model_12(2XWM/A) = [5.6]
| Download | 981.41 | 10.53 | MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV |
Consensus
[pKd Mean = 4.18] | - | 706
(s=229) | 11
(s=8) | MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV |