| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: FMT_D_16(3R3S) / Model_21(3R3S/D) = [3.5]
| Download | 307.51 | 62.31 | MATQDPRTKFKTTEYEKQEQEVPGLQSEMTPAPDCGETSYQGHQRLQGYKMLVTGGDSAIGRAAAIAYAKEGADVAINYLPSEEQDAQEVRQVIEESGQKAVLIPGDIRDEQFNYDLVEQAYQQLGGLDNVTLVAGHQQYHDDIHGFTTEAFTETFETNVYPLFWTVQKALEYLKPGASITTTSSVQGYNPSPILHDYAASKAAIISLTKSFSEELGPKGIRVNCVAPGPFWSPLQISGGQPQSKIPTFGQKTPLGRAGQPVELCGTYVLLASEESSYTTGQVFGVSGGVQID |
| Complex: FMT_B_9(3R3S) / Model_23(3R3S/B) = [3.5]
| Download | 309.48 | 66.47 | MATQDPRTKFKTTEYEKQEQEVPGLQSEMTPAPDCGETSYQGHQRLQGYKMLVTGGDSAIGRAAAIAYAKEGADVAINYLPSEEQDAQEVRQVIEESGQKAVLIPGDIRDEQFNYDLVEQAYQQLGGLDNVTLVAGHQQYHDDIHGFTTEAFTETFETNVYPLFWTVQKALEYLKPGASITTTSSVQGYNPSPILHDYAASKAAIISLTKSFSEELGPKGIRVNCVAPGPFWSPLQISGGQPQSKIPTFGQKTPLGRAGQPVELCGTYVLLASEESSYTTGQVFGVSGGVQID |
| Complex: NAD_C_12(3R3S) / Model_22(3R3S/C) = [10.2]
| Download | 990.80 | 31.39 | MATQDPRTKFKTTEYEKQEQEVPGLQSEMTPAPDCGETSYQGHQRLQGYKMLVTGGDSAIGRAAAIAYAKEGADVAINYLPSEEQDAQEVRQVIEESGQKAVLIPGDIRDEQFNYDLVEQAYQQLGGLDNVTLVAGHQQYHDDIHGFTTEAFTETFETNVYPLFWTVQKALEYLKPGASITTTSSVQGYNPSPILHDYAASKAAIISLTKSFSEELGPKGIRVNCVAPGPFWSPLQISGGQPQSKIPTFGQKTPLGRAGQPVELCGTYVLLASEESSYTTGQVFGVSGGVQID |
| Complex: NAD_A_5(3R3S) / Model_113(3R3S/A) = [10.3]
| Download | 936.76 | 28.81 | MATQDPRTKFKTTEYEKQEQEVPGLQSEMTPAPDCGETSYQGHQRLQGYKMLVTGGDSAIGRAAAIAYAKEGADVAINYLPSEEQDAQEVRQVIEESGQKAVLIPGDIRDEQFNYDLVEQAYQQLGGLDNVTLVAGHQQYHDDIHGFTTEAFTETFETNVYPLFWTVQKALEYLKPGASITTTSSVQGYNPSPILHDYAASKAAIISLTKSFSEELGPKGIRVNCVAPGPFWSPLQISGGQPQSKIPTFGQKTPLGRAGQPVELCGTYVLLASEESSYTTGQVFGVSGGVQID |
| Complex: NAD_B_8(3R3S) / Model_23(3R3S/B) = [10.3]
| Download | 1053.35 | 31.39 | MATQDPRTKFKTTEYEKQEQEVPGLQSEMTPAPDCGETSYQGHQRLQGYKMLVTGGDSAIGRAAAIAYAKEGADVAINYLPSEEQDAQEVRQVIEESGQKAVLIPGDIRDEQFNYDLVEQAYQQLGGLDNVTLVAGHQQYHDDIHGFTTEAFTETFETNVYPLFWTVQKALEYLKPGASITTTSSVQGYNPSPILHDYAASKAAIISLTKSFSEELGPKGIRVNCVAPGPFWSPLQISGGQPQSKIPTFGQKTPLGRAGQPVELCGTYVLLASEESSYTTGQVFGVSGGVQID |
Consensus
[pKd Mean = 7.56] | - | 719
(s=337) | 44
(s=16) | MATQDPRTKFKTTEYEKQEQEVPGLQSEMTPAPDCGETSYQGHQRLQGYKMLVTGGDSAIGRAAAIAYAKEGADVAINYLPSEEQDAQEVRQVIEESGQKAVLIPGDIRDEQFNYDLVEQAYQQLGGLDNVTLVAGHQQYHDDIHGFTTEAFTETFETNVYPLFWTVQKALEYLKPGASITTTSSVQGYNPSPILHDYAASKAAIISLTKSFSEELGPKGIRVNCVAPGPFWSPLQISGGQPQSKIPTFGQKTPLGRAGQPVELCGTYVLLASEESSYTTGQVFGVSGGVQID |