| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: DAU_G_7(1KER) / Model_23(1KER/B) = [10.0]
| Download | 715.15 | 13.91 | MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ |
| Complex: DAU_F_6(1KER) / Model_2(1KER/A) = [10.1]
| Download | 776.56 | 13.15 | MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ |
| Complex: NAD_C_3(2HUN) / Model_5(2HUN/A) = [10.2]
| Download | 1187.74 | 10.13 | MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ |
| Complex: NAD_C_3(2HUN) / Model_49(2HUN/A) = [10.2]
| Download | 1268.18 | 10.13 | MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ |
| Complex: NAD_D_4(2HUN) / Model_25(2HUN/B) = [10.6]
| Download | 1091.07 | 6.10 | MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ |
Consensus
[pKd Mean = 10.22] | - | 1007
(s=221) | 10
(s=2) | MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ |