| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: HPD_A_3(1JCJ) / Model_20(1JCJ/A) = [3.1]
| Download | 709.52 | 9.32 | MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVAVQAGGVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS |
| Complex: UNL_C_9(3NG3) / Model_22(3NG3/C) = [3.2]
| Download | 285.11 | 19.81 | MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVAVQAGGVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS |
| Complex: UNL_D_12(3NG3) / Model_21(3NG3/D) = [3.3]
| Download | 286.25 | 19.81 | MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVAVQAGGVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS |
| Complex: ACY_B_4(4XBK) / Model_28(4XBK/B) = [3.4]
| Download | 240.64 | -6.20 | MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVAVQAGGVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS |
| Complex: ACY_B_3(4XBK) / Model_28(4XBK/B) = [3.4]
| Download | 254.59 | 11.40 | MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVAVQAGGVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS |
Consensus
[pKd Mean = 3.28] | - | 355
(s=178) | 10
(s=9) | MLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVAVQAGGVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS |