| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: PBK_A_3(3PBK) / Model_8(3PBK/A) = [5.2]
| Download | 1252.18 | 23.31 | MNDGSRQELRVRSGLLQIEDCLDADGGIALPAGTTLISLIERNIKYVGDLVAYRYLDHARSAAGCALEVTWTQFGMRLAAIGAHVQRFAGPGDRVAILAPQGIDYVCGFYAAIKAGTVAVPLFAPELPGHAERLDTALRDSEPAVILTTAAAKNAVEGFLNNVPRLRKPTVLVIDQIPDREGELFVPVEMDIDAVSHLQYTSGSTRPPVGVEITHRAVGTNLVQMILSIDLLNRNTHGVSWLPLYHDMGLSMIGFPAVYGGHSTLMSPTAFVRRPLRWIQALSEGSRTGRVVTAAPNFAYEWAAQRGLPAQGDDVDLSNVVLIIGSEPVSIDAVTTFNKAFAPYGLPRTAFKPSYGIAEATLLVATIDHAAEPTVVYLDPEQLGAGHATRVAPDAPNAVVHVSCGHVARSLWAVIVDPDTGPEAGAELPDGEIGEVWLQGDNVARGYWGRPEETRMTFGARLQSPLAEGSHADGSAIDDTWLRTGDLGVYLDGELYITGRIADLLTIDGRNHYPQDIEATAAEASPMVRRGYITAFTVPASDGDDRNQRLVIIAERAAGTSRSDPRPALDAIRAAVCNRHGLSVADLSFLPAGAIPRTTSGKLARQACRAQYLSGRLGVH |
| Complex: 1ZZ_A_2(3KXW) / Model_6(3KXW/A) = [5.5]
| Download | 1131.90 | 27.56 | MNDGSRQELRVRSGLLQIEDCLDADGGIALPAGTTLISLIERNIKYVGDLVAYRYLDHARSAAGCALEVTWTQFGMRLAAIGAHVQRFAGPGDRVAILAPQGIDYVCGFYAAIKAGTVAVPLFAPELPGHAERLDTALRDSEPAVILTTAAAKNAVEGFLNNVPRLRKPTVLVIDQIPDREGELFVPVEMDIDAVSHLQYTSGSTRPPVGVEITHRAVGTNLVQMILSIDLLNRNTHGVSWLPLYHDMGLSMIGFPAVYGGHSTLMSPTAFVRRPLRWIQALSEGSRTGRVVTAAPNFAYEWAAQRGLPAQGDDVDLSNVVLIIGSEPVSIDAVTTFNKAFAPYGLPRTAFKPSYGIAEATLLVATIDHAAEPTVVYLDPEQLGAGHATRVAPDAPNAVVHVSCGHVARSLWAVIVDPDTGPEAGAELPDGEIGEVWLQGDNVARGYWGRPEETRMTFGARLQSPLAEGSHADGSAIDDTWLRTGDLGVYLDGELYITGRIADLLTIDGRNHYPQDIEATAAEASPMVRRGYITAFTVPASDGDDRNQRLVIIAERAAGTSRSDPRPALDAIRAAVCNRHGLSVADLSFLPAGAIPRTTSGKLARQACRAQYLSGRLGVH |
| Complex: 1ZZ_A_2(3KXW) / Model_58(3KXW/A) = [6.1]
| Download | 1026.24 | 31.63 | MNDGSRQELRVRSGLLQIEDCLDADGGIALPAGTTLISLIERNIKYVGDLVAYRYLDHARSAAGCALEVTWTQFGMRLAAIGAHVQRFAGPGDRVAILAPQGIDYVCGFYAAIKAGTVAVPLFAPELPGHAERLDTALRDSEPAVILTTAAAKNAVEGFLNNVPRLRKPTVLVIDQIPDREGELFVPVEMDIDAVSHLQYTSGSTRPPVGVEITHRAVGTNLVQMILSIDLLNRNTHGVSWLPLYHDMGLSMIGFPAVYGGHSTLMSPTAFVRRPLRWIQALSEGSRTGRVVTAAPNFAYEWAAQRGLPAQGDDVDLSNVVLIIGSEPVSIDAVTTFNKAFAPYGLPRTAFKPSYGIAEATLLVATIDHAAEPTVVYLDPEQLGAGHATRVAPDAPNAVVHVSCGHVARSLWAVIVDPDTGPEAGAELPDGEIGEVWLQGDNVARGYWGRPEETRMTFGARLQSPLAEGSHADGSAIDDTWLRTGDLGVYLDGELYITGRIADLLTIDGRNHYPQDIEATAAEASPMVRRGYITAFTVPASDGDDRNQRLVIIAERAAGTSRSDPRPALDAIRAAVCNRHGLSVADLSFLPAGAIPRTTSGKLARQACRAQYLSGRLGVH |
| Complex: ATP_A_4(5D6J) / Model_2(5D6J/A) = [8.5]
| Download | 834.01 | 11.39 | MNDGSRQELRVRSGLLQIEDCLDADGGIALPAGTTLISLIERNIKYVGDLVAYRYLDHARSAAGCALEVTWTQFGMRLAAIGAHVQRFAGPGDRVAILAPQGIDYVCGFYAAIKAGTVAVPLFAPELPGHAERLDTALRDSEPAVILTTAAAKNAVEGFLNNVPRLRKPTVLVIDQIPDREGELFVPVEMDIDAVSHLQYTSGSTRPPVGVEITHRAVGTNLVQMILSIDLLNRNTHGVSWLPLYHDMGLSMIGFPAVYGGHSTLMSPTAFVRRPLRWIQALSEGSRTGRVVTAAPNFAYEWAAQRGLPAQGDDVDLSNVVLIIGSEPVSIDAVTTFNKAFAPYGLPRTAFKPSYGIAEATLLVATIDHAAEPTVVYLDPEQLGAGHATRVAPDAPNAVVHVSCGHVARSLWAVIVDPDTGPEAGAELPDGEIGEVWLQGDNVARGYWGRPEETRMTFGARLQSPLAEGSHADGSAIDDTWLRTGDLGVYLDGELYITGRIADLLTIDGRNHYPQDIEATAAEASPMVRRGYITAFTVPASDGDDRNQRLVIIAERAAGTSRSDPRPALDAIRAAVCNRHGLSVADLSFLPAGAIPRTTSGKLARQACRAQYLSGRLGVH |
| Complex: ATP_A_4(5D6J) / Model_43(5D6J/A) = [8.5]
| Download | 865.04 | 11.06 | MNDGSRQELRVRSGLLQIEDCLDADGGIALPAGTTLISLIERNIKYVGDLVAYRYLDHARSAAGCALEVTWTQFGMRLAAIGAHVQRFAGPGDRVAILAPQGIDYVCGFYAAIKAGTVAVPLFAPELPGHAERLDTALRDSEPAVILTTAAAKNAVEGFLNNVPRLRKPTVLVIDQIPDREGELFVPVEMDIDAVSHLQYTSGSTRPPVGVEITHRAVGTNLVQMILSIDLLNRNTHGVSWLPLYHDMGLSMIGFPAVYGGHSTLMSPTAFVRRPLRWIQALSEGSRTGRVVTAAPNFAYEWAAQRGLPAQGDDVDLSNVVLIIGSEPVSIDAVTTFNKAFAPYGLPRTAFKPSYGIAEATLLVATIDHAAEPTVVYLDPEQLGAGHATRVAPDAPNAVVHVSCGHVARSLWAVIVDPDTGPEAGAELPDGEIGEVWLQGDNVARGYWGRPEETRMTFGARLQSPLAEGSHADGSAIDDTWLRTGDLGVYLDGELYITGRIADLLTIDGRNHYPQDIEATAAEASPMVRRGYITAFTVPASDGDDRNQRLVIIAERAAGTSRSDPRPALDAIRAAVCNRHGLSVADLSFLPAGAIPRTTSGKLARQACRAQYLSGRLGVH |
Consensus
[pKd Mean = 6.76] | - | 1021
(s=158) | 20
(s=8) | MNDGSRQELRVRSGLLQIEDCLDADGGIALPAGTTLISLIERNIKYVGDLVAYRYLDHARSAAGCALEVTWTQFGMRLAAIGAHVQRFAGPGDRVAILAPQGIDYVCGFYAAIKAGTVAVPLFAPELPGHAERLDTALRDSEPAVILTTAAAKNAVEGFLNNVPRLRKPTVLVIDQIPDREGELFVPVEMDIDAVSHLQYTSGSTRPPVGVEITHRAVGTNLVQMILSIDLLNRNTHGVSWLPLYHDMGLSMIGFPAVYGGHSTLMSPTAFVRRPLRWIQALSEGSRTGRVVTAAPNFAYEWAAQRGLPAQGDDVDLSNVVLIIGSEPVSIDAVTTFNKAFAPYGLPRTAFKPSYGIAEATLLVATIDHAAEPTVVYLDPEQLGAGHATRVAPDAPNAVVHVSCGHVARSLWAVIVDPDTGPEAGAELPDGEIGEVWLQGDNVARGYWGRPEETRMTFGARLQSPLAEGSHADGSAIDDTWLRTGDLGVYLDGELYITGRIADLLTIDGRNHYPQDIEATAAEASPMVRRGYITAFTVPASDGDDRNQRLVIIAERAAGTSRSDPRPALDAIRAAVCNRHGLSVADLSFLPAGAIPRTTSGKLARQACRAQYLSGRLGVH |