| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ECX_A_2(3JW9) / Model_12(3JW9/A) = [3.4]
| Download | 673.41 | 15.56 | MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG |
| Complex: PLP_C_13(1IBJ) / Model_31(1IBJ/C) = [3.5]
| Download | 571.15 | 12.95 | MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG |
| Complex: PLP_A_3(1E5F) / Model_18(1E5F/A) = [3.6]
| Download | 470.64 | 15.73 | MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG |
| Complex: PLP_B_8(1E5F) / Model_41(1E5F/B) = [3.7]
| Download | 531.83 | 15.73 | MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG |
| Complex: PLP_A_11(1IBJ) / Model_116(1IBJ/A) = [3.9]
| Download | 601.53 | 9.55 | MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG |
Consensus
[pKd Mean = 3.62] | - | 569
(s=67) | 13
(s=2) | MAKLKQETIAAQIGNRKCERTGAVNMPVYFSTAYQHADLGVSTGYDYTRTGNPTRDALQEALAELENGTHAFATSSGMSAIQLVFQLFKTGEHIISSQDLYGGTFRYFEQFGAQYQIGFSYWDGAEIADLEKLIRPETKAIFIETPTNPLMQETDIATVAKWAHAHDLLVIVDNTFYTPVLQQPLSLGADIVIHSATKYLGGHNDVLAGAVIVKEEKLGKFFFDQLNATGTVLSPFDSWLLIRGLKTLVLRVRQHQANAQKIAAFLEEHKLVEEVRYPGRGGMISFFIRDAALVSPLLKELELFTFAESLGGVESLITYPTTQTHADIPVELRNSYGLTDKLLRISVGIEASEDLIADLSKALDAVLEEVSARG |