| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ADP_A_3(4YER) / Model_2(4YER/A) = [4.6]
| Download | 1314.18 | 1.06 | MTERALQVTNLHKKIRKREIIKGISFEVMPGEVFGFLGPNGAGKTTTIRMIVGLIKPTSGTILIGGKDIRKNFTEAMRGLGSIVENPEFYTFLTGQENLAYFARMDSSIKKERIQEVTELVGLEKRINDRVSTYSLGMRQRLGIAQALLSNPKLLILDEPTNGLDPSGIHEMRDFIRALARNEGISVLVSSHLLSEIELLCDRVAIMTDGTIIKTDQVAHLLSSRAQLRWRVTPIEQAKAFLESVTEVEVDGEYLVTAMNEESAEWNEQLVAKGIKVHEIDKRKPSLEDLFLELTGGQSID |
| Complex: ADP_A_3(4P32) / Model_14(4P32/A) = [5.9]
| Download | 897.72 | -15.25 | MTERALQVTNLHKKIRKREIIKGISFEVMPGEVFGFLGPNGAGKTTTIRMIVGLIKPTSGTILIGGKDIRKNFTEAMRGLGSIVENPEFYTFLTGQENLAYFARMDSSIKKERIQEVTELVGLEKRINDRVSTYSLGMRQRLGIAQALLSNPKLLILDEPTNGLDPSGIHEMRDFIRALARNEGISVLVSSHLLSEIELLCDRVAIMTDGTIIKTDQVAHLLSSRAQLRWRVTPIEQAKAFLESVTEVEVDGEYLVTAMNEESAEWNEQLVAKGIKVHEIDKRKPSLEDLFLELTGGQSID |
| Complex: ADP_A_3(4P31) / Model_17(4P31/A) = [6.3]
| Download | 980.70 | 16.65 | MTERALQVTNLHKKIRKREIIKGISFEVMPGEVFGFLGPNGAGKTTTIRMIVGLIKPTSGTILIGGKDIRKNFTEAMRGLGSIVENPEFYTFLTGQENLAYFARMDSSIKKERIQEVTELVGLEKRINDRVSTYSLGMRQRLGIAQALLSNPKLLILDEPTNGLDPSGIHEMRDFIRALARNEGISVLVSSHLLSEIELLCDRVAIMTDGTIIKTDQVAHLLSSRAQLRWRVTPIEQAKAFLESVTEVEVDGEYLVTAMNEESAEWNEQLVAKGIKVHEIDKRKPSLEDLFLELTGGQSID |
| Complex: ATP_A_3(4QC2) / Model_15(4QC2/A) = [6.8]
| Download | 1099.63 | -15.11 | MTERALQVTNLHKKIRKREIIKGISFEVMPGEVFGFLGPNGAGKTTTIRMIVGLIKPTSGTILIGGKDIRKNFTEAMRGLGSIVENPEFYTFLTGQENLAYFARMDSSIKKERIQEVTELVGLEKRINDRVSTYSLGMRQRLGIAQALLSNPKLLILDEPTNGLDPSGIHEMRDFIRALARNEGISVLVSSHLLSEIELLCDRVAIMTDGTIIKTDQVAHLLSSRAQLRWRVTPIEQAKAFLESVTEVEVDGEYLVTAMNEESAEWNEQLVAKGIKVHEIDKRKPSLEDLFLELTGGQSID |
| Complex: ATP_B_5(4QC2) / Model_25(4QC2/B) = [6.9]
| Download | 1152.23 | -16.47 | MTERALQVTNLHKKIRKREIIKGISFEVMPGEVFGFLGPNGAGKTTTIRMIVGLIKPTSGTILIGGKDIRKNFTEAMRGLGSIVENPEFYTFLTGQENLAYFARMDSSIKKERIQEVTELVGLEKRINDRVSTYSLGMRQRLGIAQALLSNPKLLILDEPTNGLDPSGIHEMRDFIRALARNEGISVLVSSHLLSEIELLCDRVAIMTDGTIIKTDQVAHLLSSRAQLRWRVTPIEQAKAFLESVTEVEVDGEYLVTAMNEESAEWNEQLVAKGIKVHEIDKRKPSLEDLFLELTGGQSID |
Consensus
[pKd Mean = 6.10] | - | 1088
(s=143) | -5
(s=12) | MTERALQVTNLHKKIRKREIIKGISFEVMPGEVFGFLGPNGAGKTTTIRMIVGLIKPTSGTILIGGKDIRKNFTEAMRGLGSIVENPEFYTFLTGQENLAYFARMDSSIKKERIQEVTELVGLEKRINDRVSTYSLGMRQRLGIAQALLSNPKLLILDEPTNGLDPSGIHEMRDFIRALARNEGISVLVSSHLLSEIELLCDRVAIMTDGTIIKTDQVAHLLSSRAQLRWRVTPIEQAKAFLESVTEVEVDGEYLVTAMNEESAEWNEQLVAKGIKVHEIDKRKPSLEDLFLELTGGQSID |