| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: ADP_A_3(4P32) / Model_72(4P32/A) = [4.9]
| Download | 690.42 | 13.92 | MEAEKTPDNVVILNHDPIVDPLRQGLLLLCRQLGRPLGDAELVDGMPLEHGRLPLHLVARALRRADITAQVTRQPLRRIDRYLLPALLLLDDGRALVLVGNDGEHAEVLVPQSDGGSQRMPLAELEALYSGTAVFAKCRYRPDGRVGDYASALPEHWFFGPLKRLWRSYAEVTAAALVANVLAVASALFAMQVYDRVVPNAAFDTLWILASGVALAIVLDGVLRIMRGHLLNVLGKRLDLQLSTLLFSRVLSTRVAAKPASMGAFSTQVREFESVREFFTSSSAALISDLPFVAIFLLIIAVIGGHVVWVPLVACVLMILPGLLTQRLLGHLSRQNLREGAMKNGVLLEAFEHLETVKATRAEGRCLHQWETLTGELAGTAMKTHTLASTLSYSASIVQQLCYVGVVVFGVYRISEGAMTVGGLVACSILASRAIAPLSQAAGILGRWQHTKVAMEGLDQLMSAEQERPQGKRFVHKERLQGHYRLEGVRLAHGDSPPVVDVQALNIRAGERVALLGGNGAGKSTLLRLLSGLLDAQAGRLLLDDVSLTQIDPADRQRGIGYLPQDVALFHGSLRDNLNLENAALGDEELLETLDGVGLGAFVRGHPLGLDMPIQGNASLSGGQRQAVGLARVLLQDPPILLLDEPTAAFDQGSEKQVIDYLQQWLGKRTLVITTHKKSMLALVERAVVLRQGRVIMDGPLEQVVQGNQVQAPQAAEGGNHGL |
| Complex: ATP_A_3(4QC2) / Model_74(4QC2/A) = [5.2]
| Download | 649.86 | 10.87 | MEAEKTPDNVVILNHDPIVDPLRQGLLLLCRQLGRPLGDAELVDGMPLEHGRLPLHLVARALRRADITAQVTRQPLRRIDRYLLPALLLLDDGRALVLVGNDGEHAEVLVPQSDGGSQRMPLAELEALYSGTAVFAKCRYRPDGRVGDYASALPEHWFFGPLKRLWRSYAEVTAAALVANVLAVASALFAMQVYDRVVPNAAFDTLWILASGVALAIVLDGVLRIMRGHLLNVLGKRLDLQLSTLLFSRVLSTRVAAKPASMGAFSTQVREFESVREFFTSSSAALISDLPFVAIFLLIIAVIGGHVVWVPLVACVLMILPGLLTQRLLGHLSRQNLREGAMKNGVLLEAFEHLETVKATRAEGRCLHQWETLTGELAGTAMKTHTLASTLSYSASIVQQLCYVGVVVFGVYRISEGAMTVGGLVACSILASRAIAPLSQAAGILGRWQHTKVAMEGLDQLMSAEQERPQGKRFVHKERLQGHYRLEGVRLAHGDSPPVVDVQALNIRAGERVALLGGNGAGKSTLLRLLSGLLDAQAGRLLLDDVSLTQIDPADRQRGIGYLPQDVALFHGSLRDNLNLENAALGDEELLETLDGVGLGAFVRGHPLGLDMPIQGNASLSGGQRQAVGLARVLLQDPPILLLDEPTAAFDQGSEKQVIDYLQQWLGKRTLVITTHKKSMLALVERAVVLRQGRVIMDGPLEQVVQGNQVQAPQAAEGGNHGL |
| Complex: ADP_B_5(4P32) / Model_71(4P32/B) = [5.3]
| Download | 675.78 | 13.92 | MEAEKTPDNVVILNHDPIVDPLRQGLLLLCRQLGRPLGDAELVDGMPLEHGRLPLHLVARALRRADITAQVTRQPLRRIDRYLLPALLLLDDGRALVLVGNDGEHAEVLVPQSDGGSQRMPLAELEALYSGTAVFAKCRYRPDGRVGDYASALPEHWFFGPLKRLWRSYAEVTAAALVANVLAVASALFAMQVYDRVVPNAAFDTLWILASGVALAIVLDGVLRIMRGHLLNVLGKRLDLQLSTLLFSRVLSTRVAAKPASMGAFSTQVREFESVREFFTSSSAALISDLPFVAIFLLIIAVIGGHVVWVPLVACVLMILPGLLTQRLLGHLSRQNLREGAMKNGVLLEAFEHLETVKATRAEGRCLHQWETLTGELAGTAMKTHTLASTLSYSASIVQQLCYVGVVVFGVYRISEGAMTVGGLVACSILASRAIAPLSQAAGILGRWQHTKVAMEGLDQLMSAEQERPQGKRFVHKERLQGHYRLEGVRLAHGDSPPVVDVQALNIRAGERVALLGGNGAGKSTLLRLLSGLLDAQAGRLLLDDVSLTQIDPADRQRGIGYLPQDVALFHGSLRDNLNLENAALGDEELLETLDGVGLGAFVRGHPLGLDMPIQGNASLSGGQRQAVGLARVLLQDPPILLLDEPTAAFDQGSEKQVIDYLQQWLGKRTLVITTHKKSMLALVERAVVLRQGRVIMDGPLEQVVQGNQVQAPQAAEGGNHGL |
| Complex: ATP_B_5(4QC2) / Model_73(4QC2/B) = [5.8]
| Download | 793.42 | 4.57 | MEAEKTPDNVVILNHDPIVDPLRQGLLLLCRQLGRPLGDAELVDGMPLEHGRLPLHLVARALRRADITAQVTRQPLRRIDRYLLPALLLLDDGRALVLVGNDGEHAEVLVPQSDGGSQRMPLAELEALYSGTAVFAKCRYRPDGRVGDYASALPEHWFFGPLKRLWRSYAEVTAAALVANVLAVASALFAMQVYDRVVPNAAFDTLWILASGVALAIVLDGVLRIMRGHLLNVLGKRLDLQLSTLLFSRVLSTRVAAKPASMGAFSTQVREFESVREFFTSSSAALISDLPFVAIFLLIIAVIGGHVVWVPLVACVLMILPGLLTQRLLGHLSRQNLREGAMKNGVLLEAFEHLETVKATRAEGRCLHQWETLTGELAGTAMKTHTLASTLSYSASIVQQLCYVGVVVFGVYRISEGAMTVGGLVACSILASRAIAPLSQAAGILGRWQHTKVAMEGLDQLMSAEQERPQGKRFVHKERLQGHYRLEGVRLAHGDSPPVVDVQALNIRAGERVALLGGNGAGKSTLLRLLSGLLDAQAGRLLLDDVSLTQIDPADRQRGIGYLPQDVALFHGSLRDNLNLENAALGDEELLETLDGVGLGAFVRGHPLGLDMPIQGNASLSGGQRQAVGLARVLLQDPPILLLDEPTAAFDQGSEKQVIDYLQQWLGKRTLVITTHKKSMLALVERAVVLRQGRVIMDGPLEQVVQGNQVQAPQAAEGGNHGL |
| Complex: ATP_B_9(4P33) / Model_77(4P33/B) = [6.0]
| Download | 642.63 | 10.87 | MEAEKTPDNVVILNHDPIVDPLRQGLLLLCRQLGRPLGDAELVDGMPLEHGRLPLHLVARALRRADITAQVTRQPLRRIDRYLLPALLLLDDGRALVLVGNDGEHAEVLVPQSDGGSQRMPLAELEALYSGTAVFAKCRYRPDGRVGDYASALPEHWFFGPLKRLWRSYAEVTAAALVANVLAVASALFAMQVYDRVVPNAAFDTLWILASGVALAIVLDGVLRIMRGHLLNVLGKRLDLQLSTLLFSRVLSTRVAAKPASMGAFSTQVREFESVREFFTSSSAALISDLPFVAIFLLIIAVIGGHVVWVPLVACVLMILPGLLTQRLLGHLSRQNLREGAMKNGVLLEAFEHLETVKATRAEGRCLHQWETLTGELAGTAMKTHTLASTLSYSASIVQQLCYVGVVVFGVYRISEGAMTVGGLVACSILASRAIAPLSQAAGILGRWQHTKVAMEGLDQLMSAEQERPQGKRFVHKERLQGHYRLEGVRLAHGDSPPVVDVQALNIRAGERVALLGGNGAGKSTLLRLLSGLLDAQAGRLLLDDVSLTQIDPADRQRGIGYLPQDVALFHGSLRDNLNLENAALGDEELLETLDGVGLGAFVRGHPLGLDMPIQGNASLSGGQRQAVGLARVLLQDPPILLLDEPTAAFDQGSEKQVIDYLQQWLGKRTLVITTHKKSMLALVERAVVLRQGRVIMDGPLEQVVQGNQVQAPQAAEGGNHGL |
Consensus
[pKd Mean = 5.44] | - | 690
(s=54) | 10
(s=3) | MEAEKTPDNVVILNHDPIVDPLRQGLLLLCRQLGRPLGDAELVDGMPLEHGRLPLHLVARALRRADITAQVTRQPLRRIDRYLLPALLLLDDGRALVLVGNDGEHAEVLVPQSDGGSQRMPLAELEALYSGTAVFAKCRYRPDGRVGDYASALPEHWFFGPLKRLWRSYAEVTAAALVANVLAVASALFAMQVYDRVVPNAAFDTLWILASGVALAIVLDGVLRIMRGHLLNVLGKRLDLQLSTLLFSRVLSTRVAAKPASMGAFSTQVREFESVREFFTSSSAALISDLPFVAIFLLIIAVIGGHVVWVPLVACVLMILPGLLTQRLLGHLSRQNLREGAMKNGVLLEAFEHLETVKATRAEGRCLHQWETLTGELAGTAMKTHTLASTLSYSASIVQQLCYVGVVVFGVYRISEGAMTVGGLVACSILASRAIAPLSQAAGILGRWQHTKVAMEGLDQLMSAEQERPQGKRFVHKERLQGHYRLEGVRLAHGDSPPVVDVQALNIRAGERVALLGGNGAGKSTLLRLLSGLLDAQAGRLLLDDVSLTQIDPADRQRGIGYLPQDVALFHGSLRDNLNLENAALGDEELLETLDGVGLGAFVRGHPLGLDMPIQGNASLSGGQRQAVGLARVLLQDPPILLLDEPTAAFDQGSEKQVIDYLQQWLGKRTLVITTHKKSMLALVERAVVLRQGRVIMDGPLEQVVQGNQVQAPQAAEGGNHGL |