| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: GMP_A_2(5IGI) / Model_37(5IGI/A) = [3.4]
| Download | 1199.85 | 24.84 | MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG |
| Complex: PQ7_A_11(5FUT) / Model_26(5FUT/A) = [4.8]
| Download | 1409.41 | 22.24 | MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG |
| Complex: ADP_A_6(2OLC) / Model_54(2OLC/A) = [5.0]
| Download | 1188.58 | 19.43 | MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG |
| Complex: ADP_B_9(3MES) / Model_32(3MES/B) = [5.1]
| Download | 1245.41 | 18.64 | MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG |
| Complex: ADP_A_3(3MES) / Model_33(3MES/A) = [5.4]
| Download | 1132.71 | 24.19 | MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG |
Consensus
[pKd Mean = 4.74] | - | 1235
(s=94) | 21
(s=2) | MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG |