| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: DMS_A_16(4UBW) / Model_94(4UBW/A) = [3.1]
| Download | 234.34 | 16.67 | MQEAYIVAYGRSAAAKAKQGALFHERPDDVAAKVLQGVLKRIDGKFNKNMIEDVIVGTAFPEGLQGQNIARTIALRAGLSDTVPGQTVNRYCSSGLQTIAIAANQIMAGQGDILVAGGVELMSAVPMGGNEPTNNPTLQYDDIGASYPMGLTAENVASQFDVSREDQDAYAVRSHQRAYDAQRDGRFKDEIIPIRVNSVEYTNAGPKVHTNIFDQDEFIRPDTTMEALAKLRTVFKADGTVTAGTSAPLSDGAGFVVLMSGDKVKELGVTPIARFVGYKAVGVDPKIMGIGPAYAIPEVLSLSNLSVEDIDLIELNEAFASQTIASIKEVGLDISRTNVNGGAIALGHPLGATGAMLTARLLNEMGRRPDSRYGMVTMCIGVGMGAAAIFEYVR |
| Complex: COA_B_13(4UBV) / Model_95(4UBV/B) = [5.8]
| Download | 2225.97 | 35.97 | MQEAYIVAYGRSAAAKAKQGALFHERPDDVAAKVLQGVLKRIDGKFNKNMIEDVIVGTAFPEGLQGQNIARTIALRAGLSDTVPGQTVNRYCSSGLQTIAIAANQIMAGQGDILVAGGVELMSAVPMGGNEPTNNPTLQYDDIGASYPMGLTAENVASQFDVSREDQDAYAVRSHQRAYDAQRDGRFKDEIIPIRVNSVEYTNAGPKVHTNIFDQDEFIRPDTTMEALAKLRTVFKADGTVTAGTSAPLSDGAGFVVLMSGDKVKELGVTPIARFVGYKAVGVDPKIMGIGPAYAIPEVLSLSNLSVEDIDLIELNEAFASQTIASIKEVGLDISRTNVNGGAIALGHPLGATGAMLTARLLNEMGRRPDSRYGMVTMCIGVGMGAAAIFEYVR |
| Complex: COA_A_5(1WL4) / Model_122(1WL4/A) = [6.6]
| Download | 2087.85 | 34.55 | MQEAYIVAYGRSAAAKAKQGALFHERPDDVAAKVLQGVLKRIDGKFNKNMIEDVIVGTAFPEGLQGQNIARTIALRAGLSDTVPGQTVNRYCSSGLQTIAIAANQIMAGQGDILVAGGVELMSAVPMGGNEPTNNPTLQYDDIGASYPMGLTAENVASQFDVSREDQDAYAVRSHQRAYDAQRDGRFKDEIIPIRVNSVEYTNAGPKVHTNIFDQDEFIRPDTTMEALAKLRTVFKADGTVTAGTSAPLSDGAGFVVLMSGDKVKELGVTPIARFVGYKAVGVDPKIMGIGPAYAIPEVLSLSNLSVEDIDLIELNEAFASQTIASIKEVGLDISRTNVNGGAIALGHPLGATGAMLTARLLNEMGRRPDSRYGMVTMCIGVGMGAAAIFEYVR |
Consensus
[pKd Mean = 5.17] | - | 1516
(s=908) | 29
(s=8) | MQEAYIVAYGRSAAAKAKQGALFHERPDDVAAKVLQGVLKRIDGKFNKNMIEDVIVGTAFPEGLQGQNIARTIALRAGLSDTVPGQTVNRYCSSGLQTIAIAANQIMAGQGDILVAGGVELMSAVPMGGNEPTNNPTLQYDDIGASYPMGLTAENVASQFDVSREDQDAYAVRSHQRAYDAQRDGRFKDEIIPIRVNSVEYTNAGPKVHTNIFDQDEFIRPDTTMEALAKLRTVFKADGTVTAGTSAPLSDGAGFVVLMSGDKVKELGVTPIARFVGYKAVGVDPKIMGIGPAYAIPEVLSLSNLSVEDIDLIELNEAFASQTIASIKEVGLDISRTNVNGGAIALGHPLGATGAMLTARLLNEMGRRPDSRYGMVTMCIGVGMGAAAIFEYVR |