| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: ATP_A_5(1B0U) / Model_98(1B0U/A) = [4.1]
| Download | 588.95 | -2.29 | MAIASGAYKKALEGNQQPKEVLVKIDRVTKQFDETLAVDTVSLTINKGEIFALLGGSGSGKSTLLRMLAGFERPTEGRIFLDGQDITDLPPYERPINMMFQSYALFPHMSVAQNIAFGLKQDGLPKAEIDERVAEMLKLVHMTQYAKRKPHQLSGGQRQRVALARSLAKRPKLLLLDEPMGALDKKLRSQMQLELVEIIERVGVTCVMVTHDQEEAMTMAQRIAIMHLGCIEQIGSPMDIYETPASRLVCEFIGNVNLFDGVLVEDVQDHAVIACPQLENPIYIGHGISTRAEDKRITYALRPEKVMISAQKPDNLEHAGHNWAQGTVYDIAYLGGHSVYYIKLASGMIVQAFMANAERHVARPTWDQSVYISWYDDSGVVLQS |
| Complex: AGS_B_6(3C4J) / Model_77(3C4J/B) = [4.8]
| Download | 1311.80 | 2.39 | MAIASGAYKKALEGNQQPKEVLVKIDRVTKQFDETLAVDTVSLTINKGEIFALLGGSGSGKSTLLRMLAGFERPTEGRIFLDGQDITDLPPYERPINMMFQSYALFPHMSVAQNIAFGLKQDGLPKAEIDERVAEMLKLVHMTQYAKRKPHQLSGGQRQRVALARSLAKRPKLLLLDEPMGALDKKLRSQMQLELVEIIERVGVTCVMVTHDQEEAMTMAQRIAIMHLGCIEQIGSPMDIYETPASRLVCEFIGNVNLFDGVLVEDVQDHAVIACPQLENPIYIGHGISTRAEDKRITYALRPEKVMISAQKPDNLEHAGHNWAQGTVYDIAYLGGHSVYYIKLASGMIVQAFMANAERHVARPTWDQSVYISWYDDSGVVLQS |
| Complex: ATP_A_6(4YMV) / Model_63(4YMV/A) = [5.1]
| Download | 950.88 | 3.50 | MAIASGAYKKALEGNQQPKEVLVKIDRVTKQFDETLAVDTVSLTINKGEIFALLGGSGSGKSTLLRMLAGFERPTEGRIFLDGQDITDLPPYERPINMMFQSYALFPHMSVAQNIAFGLKQDGLPKAEIDERVAEMLKLVHMTQYAKRKPHQLSGGQRQRVALARSLAKRPKLLLLDEPMGALDKKLRSQMQLELVEIIERVGVTCVMVTHDQEEAMTMAQRIAIMHLGCIEQIGSPMDIYETPASRLVCEFIGNVNLFDGVLVEDVQDHAVIACPQLENPIYIGHGISTRAEDKRITYALRPEKVMISAQKPDNLEHAGHNWAQGTVYDIAYLGGHSVYYIKLASGMIVQAFMANAERHVARPTWDQSVYISWYDDSGVVLQS |
| Complex: ADP_A_5(2Q0H) / Model_80(2Q0H/A) = [5.3]
| Download | 935.61 | -1.62 | MAIASGAYKKALEGNQQPKEVLVKIDRVTKQFDETLAVDTVSLTINKGEIFALLGGSGSGKSTLLRMLAGFERPTEGRIFLDGQDITDLPPYERPINMMFQSYALFPHMSVAQNIAFGLKQDGLPKAEIDERVAEMLKLVHMTQYAKRKPHQLSGGQRQRVALARSLAKRPKLLLLDEPMGALDKKLRSQMQLELVEIIERVGVTCVMVTHDQEEAMTMAQRIAIMHLGCIEQIGSPMDIYETPASRLVCEFIGNVNLFDGVLVEDVQDHAVIACPQLENPIYIGHGISTRAEDKRITYALRPEKVMISAQKPDNLEHAGHNWAQGTVYDIAYLGGHSVYYIKLASGMIVQAFMANAERHVARPTWDQSVYISWYDDSGVVLQS |
| Complex: ATP_J_5(4YMV) / Model_62(4YMV/J) = [5.6]
| Download | 1101.49 | -2.68 | MAIASGAYKKALEGNQQPKEVLVKIDRVTKQFDETLAVDTVSLTINKGEIFALLGGSGSGKSTLLRMLAGFERPTEGRIFLDGQDITDLPPYERPINMMFQSYALFPHMSVAQNIAFGLKQDGLPKAEIDERVAEMLKLVHMTQYAKRKPHQLSGGQRQRVALARSLAKRPKLLLLDEPMGALDKKLRSQMQLELVEIIERVGVTCVMVTHDQEEAMTMAQRIAIMHLGCIEQIGSPMDIYETPASRLVCEFIGNVNLFDGVLVEDVQDHAVIACPQLENPIYIGHGISTRAEDKRITYALRPEKVMISAQKPDNLEHAGHNWAQGTVYDIAYLGGHSVYYIKLASGMIVQAFMANAERHVARPTWDQSVYISWYDDSGVVLQS |
Consensus
[pKd Mean = 4.98] | - | 977
(s=236) | 0
(s=2) | MAIASGAYKKALEGNQQPKEVLVKIDRVTKQFDETLAVDTVSLTINKGEIFALLGGSGSGKSTLLRMLAGFERPTEGRIFLDGQDITDLPPYERPINMMFQSYALFPHMSVAQNIAFGLKQDGLPKAEIDERVAEMLKLVHMTQYAKRKPHQLSGGQRQRVALARSLAKRPKLLLLDEPMGALDKKLRSQMQLELVEIIERVGVTCVMVTHDQEEAMTMAQRIAIMHLGCIEQIGSPMDIYETPASRLVCEFIGNVNLFDGVLVEDVQDHAVIACPQLENPIYIGHGISTRAEDKRITYALRPEKVMISAQKPDNLEHAGHNWAQGTVYDIAYLGGHSVYYIKLASGMIVQAFMANAERHVARPTWDQSVYISWYDDSGVVLQS |