| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: TRS_A_5(3A8Y) / Model_83(3A8Y/A) = [4.2]
| Download | 425.19 | 7.84 | MSKIIGIDLGTTNSAVAVLEGGEAKIIPNPEGARTTPSVVGFKNGERQVGEVAKRAAITNPNTISSIKRHMGTNYKETIEGKDYSPQEISAIILQYLKSYAEDYLGETVDKAVITVPAYFNDAQRQATKDAGKIAGLEVERIINEPTAAALAYGMDKTETDQTILVFDLGGGTFDVSILELGDGVFEVHSTAGDNELGGDDFDKKIIDYLVAEFKKDNGIDLSQDKMALQRLKDAAEKAKKDLSGVTSTQISLPFITAGEAGPLHLEVTLTRAKFDELTHDLVERTIAPTRQALKDANLSASDIDQVILVGGSTRIPAVQETIKKELGKEPHKGVNPDEVVAMGAAIQGGVITGDVKDVVLLDVTPLSLGIETMGGVMTTLIERNTTIPTSKSQTFSTAADNQPAVDIHVLQGERPMAKDNKTLGRFQLADIPPAPRGIPQIEVSFDIDKNGIVTVRAKDLGTGKEQNIVIKSSSGLTDEEIEKMVQDAEANAEEDKKNKENAELRNNADQLVFTVDKTLKELEGKVEEEEVKKAEAARDELQEALKGEDFDAIKEKTESLNEIVQNLSVKLYEQAAAEQQAAGGAEGQEAPQNDDVVDAEFEEVNDDDKENK |
| Complex: TRS_B_6(3A8Y) / Model_82(3A8Y/B) = [4.2]
| Download | 405.92 | 8.00 | MSKIIGIDLGTTNSAVAVLEGGEAKIIPNPEGARTTPSVVGFKNGERQVGEVAKRAAITNPNTISSIKRHMGTNYKETIEGKDYSPQEISAIILQYLKSYAEDYLGETVDKAVITVPAYFNDAQRQATKDAGKIAGLEVERIINEPTAAALAYGMDKTETDQTILVFDLGGGTFDVSILELGDGVFEVHSTAGDNELGGDDFDKKIIDYLVAEFKKDNGIDLSQDKMALQRLKDAAEKAKKDLSGVTSTQISLPFITAGEAGPLHLEVTLTRAKFDELTHDLVERTIAPTRQALKDANLSASDIDQVILVGGSTRIPAVQETIKKELGKEPHKGVNPDEVVAMGAAIQGGVITGDVKDVVLLDVTPLSLGIETMGGVMTTLIERNTTIPTSKSQTFSTAADNQPAVDIHVLQGERPMAKDNKTLGRFQLADIPPAPRGIPQIEVSFDIDKNGIVTVRAKDLGTGKEQNIVIKSSSGLTDEEIEKMVQDAEANAEEDKKNKENAELRNNADQLVFTVDKTLKELEGKVEEEEVKKAEAARDELQEALKGEDFDAIKEKTESLNEIVQNLSVKLYEQAAAEQQAAGGAEGQEAPQNDDVVDAEFEEVNDDDKENK |
| Complex: 3F5_A_3(3M3Z) / Model_69(3M3Z/A) = [4.5]
| Download | 988.23 | -7.95 | MSKIIGIDLGTTNSAVAVLEGGEAKIIPNPEGARTTPSVVGFKNGERQVGEVAKRAAITNPNTISSIKRHMGTNYKETIEGKDYSPQEISAIILQYLKSYAEDYLGETVDKAVITVPAYFNDAQRQATKDAGKIAGLEVERIINEPTAAALAYGMDKTETDQTILVFDLGGGTFDVSILELGDGVFEVHSTAGDNELGGDDFDKKIIDYLVAEFKKDNGIDLSQDKMALQRLKDAAEKAKKDLSGVTSTQISLPFITAGEAGPLHLEVTLTRAKFDELTHDLVERTIAPTRQALKDANLSASDIDQVILVGGSTRIPAVQETIKKELGKEPHKGVNPDEVVAMGAAIQGGVITGDVKDVVLLDVTPLSLGIETMGGVMTTLIERNTTIPTSKSQTFSTAADNQPAVDIHVLQGERPMAKDNKTLGRFQLADIPPAPRGIPQIEVSFDIDKNGIVTVRAKDLGTGKEQNIVIKSSSGLTDEEIEKMVQDAEANAEEDKKNKENAELRNNADQLVFTVDKTLKELEGKVEEEEVKKAEAARDELQEALKGEDFDAIKEKTESLNEIVQNLSVKLYEQAAAEQQAAGGAEGQEAPQNDDVVDAEFEEVNDDDKENK |
| Complex: 3BH_A_3(3FZH) / Model_74(3FZH/A) = [4.8]
| Download | 693.69 | -6.21 | MSKIIGIDLGTTNSAVAVLEGGEAKIIPNPEGARTTPSVVGFKNGERQVGEVAKRAAITNPNTISSIKRHMGTNYKETIEGKDYSPQEISAIILQYLKSYAEDYLGETVDKAVITVPAYFNDAQRQATKDAGKIAGLEVERIINEPTAAALAYGMDKTETDQTILVFDLGGGTFDVSILELGDGVFEVHSTAGDNELGGDDFDKKIIDYLVAEFKKDNGIDLSQDKMALQRLKDAAEKAKKDLSGVTSTQISLPFITAGEAGPLHLEVTLTRAKFDELTHDLVERTIAPTRQALKDANLSASDIDQVILVGGSTRIPAVQETIKKELGKEPHKGVNPDEVVAMGAAIQGGVITGDVKDVVLLDVTPLSLGIETMGGVMTTLIERNTTIPTSKSQTFSTAADNQPAVDIHVLQGERPMAKDNKTLGRFQLADIPPAPRGIPQIEVSFDIDKNGIVTVRAKDLGTGKEQNIVIKSSSGLTDEEIEKMVQDAEANAEEDKKNKENAELRNNADQLVFTVDKTLKELEGKVEEEEVKKAEAARDELQEALKGEDFDAIKEKTESLNEIVQNLSVKLYEQAAAEQQAAGGAEGQEAPQNDDVVDAEFEEVNDDDKENK |
| Complex: ADP_B_14(3C7N) / Model_7(3C7N/B) = [5.1]
| Download | 1041.01 | -4.04 | MSKIIGIDLGTTNSAVAVLEGGEAKIIPNPEGARTTPSVVGFKNGERQVGEVAKRAAITNPNTISSIKRHMGTNYKETIEGKDYSPQEISAIILQYLKSYAEDYLGETVDKAVITVPAYFNDAQRQATKDAGKIAGLEVERIINEPTAAALAYGMDKTETDQTILVFDLGGGTFDVSILELGDGVFEVHSTAGDNELGGDDFDKKIIDYLVAEFKKDNGIDLSQDKMALQRLKDAAEKAKKDLSGVTSTQISLPFITAGEAGPLHLEVTLTRAKFDELTHDLVERTIAPTRQALKDANLSASDIDQVILVGGSTRIPAVQETIKKELGKEPHKGVNPDEVVAMGAAIQGGVITGDVKDVVLLDVTPLSLGIETMGGVMTTLIERNTTIPTSKSQTFSTAADNQPAVDIHVLQGERPMAKDNKTLGRFQLADIPPAPRGIPQIEVSFDIDKNGIVTVRAKDLGTGKEQNIVIKSSSGLTDEEIEKMVQDAEANAEEDKKNKENAELRNNADQLVFTVDKTLKELEGKVEEEEVKKAEAARDELQEALKGEDFDAIKEKTESLNEIVQNLSVKLYEQAAAEQQAAGGAEGQEAPQNDDVVDAEFEEVNDDDKENK |
Consensus
[pKd Mean = 4.56] | - | 710
(s=268) | 0
(s=6) | MSKIIGIDLGTTNSAVAVLEGGEAKIIPNPEGARTTPSVVGFKNGERQVGEVAKRAAITNPNTISSIKRHMGTNYKETIEGKDYSPQEISAIILQYLKSYAEDYLGETVDKAVITVPAYFNDAQRQATKDAGKIAGLEVERIINEPTAAALAYGMDKTETDQTILVFDLGGGTFDVSILELGDGVFEVHSTAGDNELGGDDFDKKIIDYLVAEFKKDNGIDLSQDKMALQRLKDAAEKAKKDLSGVTSTQISLPFITAGEAGPLHLEVTLTRAKFDELTHDLVERTIAPTRQALKDANLSASDIDQVILVGGSTRIPAVQETIKKELGKEPHKGVNPDEVVAMGAAIQGGVITGDVKDVVLLDVTPLSLGIETMGGVMTTLIERNTTIPTSKSQTFSTAADNQPAVDIHVLQGERPMAKDNKTLGRFQLADIPPAPRGIPQIEVSFDIDKNGIVTVRAKDLGTGKEQNIVIKSSSGLTDEEIEKMVQDAEANAEEDKKNKENAELRNNADQLVFTVDKTLKELEGKVEEEEVKKAEAARDELQEALKGEDFDAIKEKTESLNEIVQNLSVKLYEQAAAEQQAAGGAEGQEAPQNDDVVDAEFEEVNDDDKENK |