| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: DMS_A_7(5AI0) / Model_13(5AI0/A) = [3.5]
| Download | 358.86 | 55.17 | MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ |
| Complex: K2T_A_6(5AI8) / Model_17(5AI8/A) = [3.6]
| Download | 519.15 | 27.42 | MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ |
| Complex: 4XH_A_6(5AI6) / Model_16(5AI6/A) = [3.8]
| Download | 582.56 | 35.53 | MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ |
| Complex: W9L_A_3(4C4Z) / Model_7(4C4Z/A) = [3.9]
| Download | 764.99 | 32.57 | MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ |
| Complex: W9M_A_3(4C4X) / Model_5(4C4X/A) = [3.9]
| Download | 779.44 | 47.65 | MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ |
Consensus
[pKd Mean = 3.74] | - | 601
(s=157) | 39
(s=10) | MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ |