| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: MLA_X_2(2BRV) / Model_11(2BRV/X) = [3.2]
| Download | 553.68 | 8.53 | MTYRMKKWQKLSTITLLMAGVITLNGGEFRSIDKHQIAVADTNVQTPDYEKLRNTWLDVNYGYDKYDEKNDAMKKKFDATEKEAEKLLSSMKTESGRTYLWDSAKDLDNKSADMTRTYRNIEKIAEAMRHPKTTLNTDENKKKVKDALEWLHKNAYGKEPDNKVKELTENFKITDSSKKKALNWWDYEIGTPRSLTNTLILLNDQFSNEEKKKFTAPIKTFAPKSDEILSSVGKAEPAKGGNLVDIAKVKLLESIIEEDKDMMKNSIDSFNKVFTYVQDSATDKERNGFYKDGSYIDHKDVPYTGAYGVVLLEGISQMMPMIKETPFNDKTQNNTTLKSWIDDGFLPLIYKGEMMDLSRGRAISRENETSHSASATVMKSLLRLSDAMDDSTKAKYKKIVKTSVKSDSSYGQNDTLSSYSDISKMKSLMEDSTISTNGLTQQLKIYNDMDRVTYHNKDLDFAFGLSMTSKNVARYESINGENLKGWHTGAGMSYLYNSDVKHYRDNFWATADMKRLAGTTTLENEEPKGTDVKKSSKTFVGGTKFDDQHASIGMDFENQDKTLTAKKSYFILNDKIVFLGTGIKSTDSSKNPVTTIENRKANGYTLYTDDKQTTASDNQGTNSVFLESTNKPKNNIGYHFLNESKITVKKESHTGKWSDINKSQKQDSKTNQYYEVTQKHSNTDSKYAYVLYPGLSKDDFNTKKDKVTVVKQDDDFHVVKDNESVWAGVNYSNSTQTFDINNTKVEVKAKGMFILKNKDDNTYECSFYNPESTNTASDIESKISITGYSITNKNTSTSNESGVHFELTK |
| Complex: SIE_A_2(2BRP) / Model_10(2BRP/A) = [3.3]
| Download | 2202.36 | 5.65 | MTYRMKKWQKLSTITLLMAGVITLNGGEFRSIDKHQIAVADTNVQTPDYEKLRNTWLDVNYGYDKYDEKNDAMKKKFDATEKEAEKLLSSMKTESGRTYLWDSAKDLDNKSADMTRTYRNIEKIAEAMRHPKTTLNTDENKKKVKDALEWLHKNAYGKEPDNKVKELTENFKITDSSKKKALNWWDYEIGTPRSLTNTLILLNDQFSNEEKKKFTAPIKTFAPKSDEILSSVGKAEPAKGGNLVDIAKVKLLESIIEEDKDMMKNSIDSFNKVFTYVQDSATDKERNGFYKDGSYIDHKDVPYTGAYGVVLLEGISQMMPMIKETPFNDKTQNNTTLKSWIDDGFLPLIYKGEMMDLSRGRAISRENETSHSASATVMKSLLRLSDAMDDSTKAKYKKIVKTSVKSDSSYGQNDTLSSYSDISKMKSLMEDSTISTNGLTQQLKIYNDMDRVTYHNKDLDFAFGLSMTSKNVARYESINGENLKGWHTGAGMSYLYNSDVKHYRDNFWATADMKRLAGTTTLENEEPKGTDVKKSSKTFVGGTKFDDQHASIGMDFENQDKTLTAKKSYFILNDKIVFLGTGIKSTDSSKNPVTTIENRKANGYTLYTDDKQTTASDNQGTNSVFLESTNKPKNNIGYHFLNESKITVKKESHTGKWSDINKSQKQDSKTNQYYEVTQKHSNTDSKYAYVLYPGLSKDDFNTKKDKVTVVKQDDDFHVVKDNESVWAGVNYSNSTQTFDINNTKVEVKAKGMFILKNKDDNTYECSFYNPESTNTASDIESKISITGYSITNKNTSTSNESGVHFELTK |
| Complex: SUGAR_C_3(1I8Q) / Model_2(1I8Q/A) = [3.3]
| Download | - | - | MTYRMKKWQKLSTITLLMAGVITLNGGEFRSIDKHQIAVADTNVQTPDYEKLRNTWLDVNYGYDKYDEKNDAMKKKFDATEKEAEKLLSSMKTESGRTYLWDSAKDLDNKSADMTRTYRNIEKIAEAMRHPKTTLNTDENKKKVKDALEWLHKNAYGKEPDNKVKELTENFKITDSSKKKALNWWDYEIGTPRSLTNTLILLNDQFSNEEKKKFTAPIKTFAPKSDEILSSVGKAEPAKGGNLVDIAKVKLLESIIEEDKDMMKNSIDSFNKVFTYVQDSATDKERNGFYKDGSYIDHKDVPYTGAYGVVLLEGISQMMPMIKETPFNDKTQNNTTLKSWIDDGFLPLIYKGEMMDLSRGRAISRENETSHSASATVMKSLLRLSDAMDDSTKAKYKKIVKTSVKSDSSYGQNDTLSSYSDISKMKSLMEDSTISTNGLTQQLKIYNDMDRVTYHNKDLDFAFGLSMTSKNVARYESINGENLKGWHTGAGMSYLYNSDVKHYRDNFWATADMKRLAGTTTLENEEPKGTDVKKSSKTFVGGTKFDDQHASIGMDFENQDKTLTAKKSYFILNDKIVFLGTGIKSTDSSKNPVTTIENRKANGYTLYTDDKQTTASDNQGTNSVFLESTNKPKNNIGYHFLNESKITVKKESHTGKWSDINKSQKQDSKTNQYYEVTQKHSNTDSKYAYVLYPGLSKDDFNTKKDKVTVVKQDDDFHVVKDNESVWAGVNYSNSTQTFDINNTKVEVKAKGMFILKNKDDNTYECSFYNPESTNTASDIESKISITGYSITNKNTSTSNESGVHFELTK |
| Complex: PVC_A_2(1W3Y) / Model_9(1W3Y/A) = [3.5]
| Download | 1865.09 | 5.70 | MTYRMKKWQKLSTITLLMAGVITLNGGEFRSIDKHQIAVADTNVQTPDYEKLRNTWLDVNYGYDKYDEKNDAMKKKFDATEKEAEKLLSSMKTESGRTYLWDSAKDLDNKSADMTRTYRNIEKIAEAMRHPKTTLNTDENKKKVKDALEWLHKNAYGKEPDNKVKELTENFKITDSSKKKALNWWDYEIGTPRSLTNTLILLNDQFSNEEKKKFTAPIKTFAPKSDEILSSVGKAEPAKGGNLVDIAKVKLLESIIEEDKDMMKNSIDSFNKVFTYVQDSATDKERNGFYKDGSYIDHKDVPYTGAYGVVLLEGISQMMPMIKETPFNDKTQNNTTLKSWIDDGFLPLIYKGEMMDLSRGRAISRENETSHSASATVMKSLLRLSDAMDDSTKAKYKKIVKTSVKSDSSYGQNDTLSSYSDISKMKSLMEDSTISTNGLTQQLKIYNDMDRVTYHNKDLDFAFGLSMTSKNVARYESINGENLKGWHTGAGMSYLYNSDVKHYRDNFWATADMKRLAGTTTLENEEPKGTDVKKSSKTFVGGTKFDDQHASIGMDFENQDKTLTAKKSYFILNDKIVFLGTGIKSTDSSKNPVTTIENRKANGYTLYTDDKQTTASDNQGTNSVFLESTNKPKNNIGYHFLNESKITVKKESHTGKWSDINKSQKQDSKTNQYYEVTQKHSNTDSKYAYVLYPGLSKDDFNTKKDKVTVVKQDDDFHVVKDNESVWAGVNYSNSTQTFDINNTKVEVKAKGMFILKNKDDNTYECSFYNPESTNTASDIESKISITGYSITNKNTSTSNESGVHFELTK |
| Complex: SUGAR_B_2(1N7R) / Model_19(1N7R/A) = [3.7]
| Download | - | - | MTYRMKKWQKLSTITLLMAGVITLNGGEFRSIDKHQIAVADTNVQTPDYEKLRNTWLDVNYGYDKYDEKNDAMKKKFDATEKEAEKLLSSMKTESGRTYLWDSAKDLDNKSADMTRTYRNIEKIAEAMRHPKTTLNTDENKKKVKDALEWLHKNAYGKEPDNKVKELTENFKITDSSKKKALNWWDYEIGTPRSLTNTLILLNDQFSNEEKKKFTAPIKTFAPKSDEILSSVGKAEPAKGGNLVDIAKVKLLESIIEEDKDMMKNSIDSFNKVFTYVQDSATDKERNGFYKDGSYIDHKDVPYTGAYGVVLLEGISQMMPMIKETPFNDKTQNNTTLKSWIDDGFLPLIYKGEMMDLSRGRAISRENETSHSASATVMKSLLRLSDAMDDSTKAKYKKIVKTSVKSDSSYGQNDTLSSYSDISKMKSLMEDSTISTNGLTQQLKIYNDMDRVTYHNKDLDFAFGLSMTSKNVARYESINGENLKGWHTGAGMSYLYNSDVKHYRDNFWATADMKRLAGTTTLENEEPKGTDVKKSSKTFVGGTKFDDQHASIGMDFENQDKTLTAKKSYFILNDKIVFLGTGIKSTDSSKNPVTTIENRKANGYTLYTDDKQTTASDNQGTNSVFLESTNKPKNNIGYHFLNESKITVKKESHTGKWSDINKSQKQDSKTNQYYEVTQKHSNTDSKYAYVLYPGLSKDDFNTKKDKVTVVKQDDDFHVVKDNESVWAGVNYSNSTQTFDINNTKVEVKAKGMFILKNKDDNTYECSFYNPESTNTASDIESKISITGYSITNKNTSTSNESGVHFELTK |
Consensus
[pKd Mean = 3.40] | - | 1540
(s=711) | 6
(s=1) | MTYRMKKWQKLSTITLLMAGVITLNGGEFRSIDKHQIAVADTNVQTPDYEKLRNTWLDVNYGYDKYDEKNDAMKKKFDATEKEAEKLLSSMKTESGRTYLWDSAKDLDNKSADMTRTYRNIEKIAEAMRHPKTTLNTDENKKKVKDALEWLHKNAYGKEPDNKVKELTENFKITDSSKKKALNWWDYEIGTPRSLTNTLILLNDQFSNEEKKKFTAPIKTFAPKSDEILSSVGKAEPAKGGNLVDIAKVKLLESIIEEDKDMMKNSIDSFNKVFTYVQDSATDKERNGFYKDGSYIDHKDVPYTGAYGVVLLEGISQMMPMIKETPFNDKTQNNTTLKSWIDDGFLPLIYKGEMMDLSRGRAISRENETSHSASATVMKSLLRLSDAMDDSTKAKYKKIVKTSVKSDSSYGQNDTLSSYSDISKMKSLMEDSTISTNGLTQQLKIYNDMDRVTYHNKDLDFAFGLSMTSKNVARYESINGENLKGWHTGAGMSYLYNSDVKHYRDNFWATADMKRLAGTTTLENEEPKGTDVKKSSKTFVGGTKFDDQHASIGMDFENQDKTLTAKKSYFILNDKIVFLGTGIKSTDSSKNPVTTIENRKANGYTLYTDDKQTTASDNQGTNSVFLESTNKPKNNIGYHFLNESKITVKKESHTGKWSDINKSQKQDSKTNQYYEVTQKHSNTDSKYAYVLYPGLSKDDFNTKKDKVTVVKQDDDFHVVKDNESVWAGVNYSNSTQTFDINNTKVEVKAKGMFILKNKDDNTYECSFYNPESTNTASDIESKISITGYSITNKNTSTSNESGVHFELTK |