| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: CIT_B_2(1WDI) / Model_3(1WDI/A) = [4.0]
| Download | 471.50 | 22.40 | MKVEDFDFDLPEELIAQTPLLDRTSSRLMVLDKESGDIKDQHFTDIISYLNEGDALVLNDTRVLPARLHGIKDETGAHIEVLLLKQKEGNAWETLVKPAKRIRKGATITFGDGALKATCLEELEHGGRILEFSYEGIFYEVLEQLGEMPLPPYIKEQLADQDRYQTVYAKENGSAAAPTAGLHFTEDLLEQISAKGVEIIFVTLHVGLGTFRPVDVEDTTNHKMHSEFYRLTEESAERINKIKAQGGKVVAVGTTSIRTLETIASRHDGKLVAESGWTEIFISPGYTFQAVDALITNFHLPKSTLIMLVSALSDRTKILAAYNHAVEEQYRFFSFGDAMFIH |
| Complex: CIT_B_2(1WDI) / Model_11(1WDI/A) = [4.0]
| Download | 588.79 | 22.40 | MKVEDFDFDLPEELIAQTPLLDRTSSRLMVLDKESGDIKDQHFTDIISYLNEGDALVLNDTRVLPARLHGIKDETGAHIEVLLLKQKEGNAWETLVKPAKRIRKGATITFGDGALKATCLEELEHGGRILEFSYEGIFYEVLEQLGEMPLPPYIKEQLADQDRYQTVYAKENGSAAAPTAGLHFTEDLLEQISAKGVEIIFVTLHVGLGTFRPVDVEDTTNHKMHSEFYRLTEESAERINKIKAQGGKVVAVGTTSIRTLETIASRHDGKLVAESGWTEIFISPGYTFQAVDALITNFHLPKSTLIMLVSALSDRTKILAAYNHAVEEQYRFFSFGDAMFIH |
| Complex: UNL_A_3(1VKY) / Model_10(1VKY/A) = [4.1]
| Download | 468.01 | 15.25 | MKVEDFDFDLPEELIAQTPLLDRTSSRLMVLDKESGDIKDQHFTDIISYLNEGDALVLNDTRVLPARLHGIKDETGAHIEVLLLKQKEGNAWETLVKPAKRIRKGATITFGDGALKATCLEELEHGGRILEFSYEGIFYEVLEQLGEMPLPPYIKEQLADQDRYQTVYAKENGSAAAPTAGLHFTEDLLEQISAKGVEIIFVTLHVGLGTFRPVDVEDTTNHKMHSEFYRLTEESAERINKIKAQGGKVVAVGTTSIRTLETIASRHDGKLVAESGWTEIFISPGYTFQAVDALITNFHLPKSTLIMLVSALSDRTKILAAYNHAVEEQYRFFSFGDAMFIH |
| Complex: UNL_A_3(1VKY) / Model_23(1VKY/A) = [4.1]
| Download | 427.00 | 15.25 | MKVEDFDFDLPEELIAQTPLLDRTSSRLMVLDKESGDIKDQHFTDIISYLNEGDALVLNDTRVLPARLHGIKDETGAHIEVLLLKQKEGNAWETLVKPAKRIRKGATITFGDGALKATCLEELEHGGRILEFSYEGIFYEVLEQLGEMPLPPYIKEQLADQDRYQTVYAKENGSAAAPTAGLHFTEDLLEQISAKGVEIIFVTLHVGLGTFRPVDVEDTTNHKMHSEFYRLTEESAERINKIKAQGGKVVAVGTTSIRTLETIASRHDGKLVAESGWTEIFISPGYTFQAVDALITNFHLPKSTLIMLVSALSDRTKILAAYNHAVEEQYRFFSFGDAMFIH |
| Complex: UNL_B_4(1VKY) / Model_8(1VKY/B) = [4.1]
| Download | 384.81 | 11.65 | MKVEDFDFDLPEELIAQTPLLDRTSSRLMVLDKESGDIKDQHFTDIISYLNEGDALVLNDTRVLPARLHGIKDETGAHIEVLLLKQKEGNAWETLVKPAKRIRKGATITFGDGALKATCLEELEHGGRILEFSYEGIFYEVLEQLGEMPLPPYIKEQLADQDRYQTVYAKENGSAAAPTAGLHFTEDLLEQISAKGVEIIFVTLHVGLGTFRPVDVEDTTNHKMHSEFYRLTEESAERINKIKAQGGKVVAVGTTSIRTLETIASRHDGKLVAESGWTEIFISPGYTFQAVDALITNFHLPKSTLIMLVSALSDRTKILAAYNHAVEEQYRFFSFGDAMFIH |
Consensus
[pKd Mean = 4.06] | - | 468
(s=68) | 17
(s=4) | MKVEDFDFDLPEELIAQTPLLDRTSSRLMVLDKESGDIKDQHFTDIISYLNEGDALVLNDTRVLPARLHGIKDETGAHIEVLLLKQKEGNAWETLVKPAKRIRKGATITFGDGALKATCLEELEHGGRILEFSYEGIFYEVLEQLGEMPLPPYIKEQLADQDRYQTVYAKENGSAAAPTAGLHFTEDLLEQISAKGVEIIFVTLHVGLGTFRPVDVEDTTNHKMHSEFYRLTEESAERINKIKAQGGKVVAVGTTSIRTLETIASRHDGKLVAESGWTEIFISPGYTFQAVDALITNFHLPKSTLIMLVSALSDRTKILAAYNHAVEEQYRFFSFGDAMFIH |