Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: THR_B_5(1EVK) / Model_40(1EVK/B) = [3.2]
| Download | 3672.08 | 13.41 | MSAELIAVYKDEQIIDLESAKVLGLSDGIKALKGTEPIYFDDSPLALEVIRHSCAHLLAQSLKALYPDAKFFVGPVVEEGFYYDFKTTSKISEEDLPKIEAKMKEFAKSKLAITKETLTREQALERFKGDELKHAVMSKISGDIFGVYQQGEFEDLCKGPHLPNTRFLNHFKLTKLAGAYLGGDENNEMLIRIYGIAFATKEGLKDYLFQIEEAKKRDHRKLGVELGLFSFDDEIGAGLPLWLPKGARLRKRIEDLLSQALLLRGYEPVKGPEILKSDVWKISGHYDNYKENMYFTTIDEQEYGIKPMNCVGHIKVYQSALHSYRDLPLRFYEYGVVHRHEKSGVLHGLLRVREFTQDDAHIFCSFEQIQSEVSAILDFTHKIMQAFGFSYEMELSTRPAKSIGDDKVWEKATNALKEALKEHRIDYKIDEGGGAFYGPKIDIKITDALKRKWQCGTIQVDMNLPERFKLAFTNEYNHAEQPVMIHRAILGSFERFIAILSEHFGGNFPFFVAPTQIALIPINEEHHVFALKLKEALKKCDIFVEVLDKNDSLNKKVRLAEKQKIPMILVLGNEEVETEILSIRDREKQAQYKMPLKEFLNMVESKMQEVSF |
Complex: 1B2_A_4(4HWT) / Model_14(4HWT/A) = [5.5]
| Download | 897.43 | 9.79 | MSAELIAVYKDEQIIDLESAKVLGLSDGIKALKGTEPIYFDDSPLALEVIRHSCAHLLAQSLKALYPDAKFFVGPVVEEGFYYDFKTTSKISEEDLPKIEAKMKEFAKSKLAITKETLTREQALERFKGDELKHAVMSKISGDIFGVYQQGEFEDLCKGPHLPNTRFLNHFKLTKLAGAYLGGDENNEMLIRIYGIAFATKEGLKDYLFQIEEAKKRDHRKLGVELGLFSFDDEIGAGLPLWLPKGARLRKRIEDLLSQALLLRGYEPVKGPEILKSDVWKISGHYDNYKENMYFTTIDEQEYGIKPMNCVGHIKVYQSALHSYRDLPLRFYEYGVVHRHEKSGVLHGLLRVREFTQDDAHIFCSFEQIQSEVSAILDFTHKIMQAFGFSYEMELSTRPAKSIGDDKVWEKATNALKEALKEHRIDYKIDEGGGAFYGPKIDIKITDALKRKWQCGTIQVDMNLPERFKLAFTNEYNHAEQPVMIHRAILGSFERFIAILSEHFGGNFPFFVAPTQIALIPINEEHHVFALKLKEALKKCDIFVEVLDKNDSLNKKVRLAEKQKIPMILVLGNEEVETEILSIRDREKQAQYKMPLKEFLNMVESKMQEVSF |
Complex: 1B2_B_6(4HWT) / Model_41(4HWT/B) = [5.6]
| Download | 826.84 | 7.93 | MSAELIAVYKDEQIIDLESAKVLGLSDGIKALKGTEPIYFDDSPLALEVIRHSCAHLLAQSLKALYPDAKFFVGPVVEEGFYYDFKTTSKISEEDLPKIEAKMKEFAKSKLAITKETLTREQALERFKGDELKHAVMSKISGDIFGVYQQGEFEDLCKGPHLPNTRFLNHFKLTKLAGAYLGGDENNEMLIRIYGIAFATKEGLKDYLFQIEEAKKRDHRKLGVELGLFSFDDEIGAGLPLWLPKGARLRKRIEDLLSQALLLRGYEPVKGPEILKSDVWKISGHYDNYKENMYFTTIDEQEYGIKPMNCVGHIKVYQSALHSYRDLPLRFYEYGVVHRHEKSGVLHGLLRVREFTQDDAHIFCSFEQIQSEVSAILDFTHKIMQAFGFSYEMELSTRPAKSIGDDKVWEKATNALKEALKEHRIDYKIDEGGGAFYGPKIDIKITDALKRKWQCGTIQVDMNLPERFKLAFTNEYNHAEQPVMIHRAILGSFERFIAILSEHFGGNFPFFVAPTQIALIPINEEHHVFALKLKEALKKCDIFVEVLDKNDSLNKKVRLAEKQKIPMILVLGNEEVETEILSIRDREKQAQYKMPLKEFLNMVESKMQEVSF |
Complex: AMP_A_4(1QF6) / Model_53(1QF6/A) = [6.5]
| Download | 747.57 | 31.62 | MSAELIAVYKDEQIIDLESAKVLGLSDGIKALKGTEPIYFDDSPLALEVIRHSCAHLLAQSLKALYPDAKFFVGPVVEEGFYYDFKTTSKISEEDLPKIEAKMKEFAKSKLAITKETLTREQALERFKGDELKHAVMSKISGDIFGVYQQGEFEDLCKGPHLPNTRFLNHFKLTKLAGAYLGGDENNEMLIRIYGIAFATKEGLKDYLFQIEEAKKRDHRKLGVELGLFSFDDEIGAGLPLWLPKGARLRKRIEDLLSQALLLRGYEPVKGPEILKSDVWKISGHYDNYKENMYFTTIDEQEYGIKPMNCVGHIKVYQSALHSYRDLPLRFYEYGVVHRHEKSGVLHGLLRVREFTQDDAHIFCSFEQIQSEVSAILDFTHKIMQAFGFSYEMELSTRPAKSIGDDKVWEKATNALKEALKEHRIDYKIDEGGGAFYGPKIDIKITDALKRKWQCGTIQVDMNLPERFKLAFTNEYNHAEQPVMIHRAILGSFERFIAILSEHFGGNFPFFVAPTQIALIPINEEHHVFALKLKEALKKCDIFVEVLDKNDSLNKKVRLAEKQKIPMILVLGNEEVETEILSIRDREKQAQYKMPLKEFLNMVESKMQEVSF |
Complex: 1B2_A_4(4HWR) / Model_6(4HWR/A) = [6.8]
| Download | 745.55 | 20.46 | MSAELIAVYKDEQIIDLESAKVLGLSDGIKALKGTEPIYFDDSPLALEVIRHSCAHLLAQSLKALYPDAKFFVGPVVEEGFYYDFKTTSKISEEDLPKIEAKMKEFAKSKLAITKETLTREQALERFKGDELKHAVMSKISGDIFGVYQQGEFEDLCKGPHLPNTRFLNHFKLTKLAGAYLGGDENNEMLIRIYGIAFATKEGLKDYLFQIEEAKKRDHRKLGVELGLFSFDDEIGAGLPLWLPKGARLRKRIEDLLSQALLLRGYEPVKGPEILKSDVWKISGHYDNYKENMYFTTIDEQEYGIKPMNCVGHIKVYQSALHSYRDLPLRFYEYGVVHRHEKSGVLHGLLRVREFTQDDAHIFCSFEQIQSEVSAILDFTHKIMQAFGFSYEMELSTRPAKSIGDDKVWEKATNALKEALKEHRIDYKIDEGGGAFYGPKIDIKITDALKRKWQCGTIQVDMNLPERFKLAFTNEYNHAEQPVMIHRAILGSFERFIAILSEHFGGNFPFFVAPTQIALIPINEEHHVFALKLKEALKKCDIFVEVLDKNDSLNKKVRLAEKQKIPMILVLGNEEVETEILSIRDREKQAQYKMPLKEFLNMVESKMQEVSF |
Consensus [pKd Mean = 5.52] | - | 1377 (s=1148) | 16 (s=8) | MSAELIAVYKDEQIIDLESAKVLGLSDGIKALKGTEPIYFDDSPLALEVIRHSCAHLLAQSLKALYPDAKFFVGPVVEEGFYYDFKTTSKISEEDLPKIEAKMKEFAKSKLAITKETLTREQALERFKGDELKHAVMSKISGDIFGVYQQGEFEDLCKGPHLPNTRFLNHFKLTKLAGAYLGGDENNEMLIRIYGIAFATKEGLKDYLFQIEEAKKRDHRKLGVELGLFSFDDEIGAGLPLWLPKGARLRKRIEDLLSQALLLRGYEPVKGPEILKSDVWKISGHYDNYKENMYFTTIDEQEYGIKPMNCVGHIKVYQSALHSYRDLPLRFYEYGVVHRHEKSGVLHGLLRVREFTQDDAHIFCSFEQIQSEVSAILDFTHKIMQAFGFSYEMELSTRPAKSIGDDKVWEKATNALKEALKEHRIDYKIDEGGGAFYGPKIDIKITDALKRKWQCGTIQVDMNLPERFKLAFTNEYNHAEQPVMIHRAILGSFERFIAILSEHFGGNFPFFVAPTQIALIPINEEHHVFALKLKEALKKCDIFVEVLDKNDSLNKKVRLAEKQKIPMILVLGNEEVETEILSIRDREKQAQYKMPLKEFLNMVESKMQEVSF |