Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
Complex: ACY_A_9(1JPN) / Model_13(1JPN/A) = [3.2]
| Download | 100.67 | 21.25 | MFQALSDGFKNALNKIRFQDDEKALDRALDELKKTLLKNDVHHKVARELLKKVESQTKAGGIGKQQFLDALEKSLLEILSAKGSSGFTFAQTPPTVVLMAGLQGSGKTTTTAKLAHYLKTKNKKVLLCACDLQRLAAVEQLKVLGEQVGVEVFHEENKSVKEIANNALKRAKEAQFDVLIVDSAGRLAIDKELMQELKEVKEVLNPHEVLYVADALSGQDGVKSANTFNEEIGVSGVVLSKFDSDSKGGIALGITYQLGLPLRFIGSGEKIPDLDVFMPERIVGRLMGAGDIISLAEKTASVLNPNEAKDLSKKLKKGQFTFNDFLNQIEKVKKLGSMSSLISMIPGLGNMASALKDTDLESSLEVKKIKAMVNSMTKKERENPEILNGSRRKRIALGSGLEVSEINRIIKRFDQASKMAKRLTNKKGISDLMNLMSQAKNQTPPKMR |
Complex: GCP_B_6(1RJ9) / Model_123(1RJ9/A) = [3.4]
| Download | 1048.61 | 19.23 | MFQALSDGFKNALNKIRFQDDEKALDRALDELKKTLLKNDVHHKVARELLKKVESQTKAGGIGKQQFLDALEKSLLEILSAKGSSGFTFAQTPPTVVLMAGLQGSGKTTTTAKLAHYLKTKNKKVLLCACDLQRLAAVEQLKVLGEQVGVEVFHEENKSVKEIANNALKRAKEAQFDVLIVDSAGRLAIDKELMQELKEVKEVLNPHEVLYVADALSGQDGVKSANTFNEEIGVSGVVLSKFDSDSKGGIALGITYQLGLPLRFIGSGEKIPDLDVFMPERIVGRLMGAGDIISLAEKTASVLNPNEAKDLSKKLKKGQFTFNDFLNQIEKVKKLGSMSSLISMIPGLGNMASALKDTDLESSLEVKKIKAMVNSMTKKERENPEILNGSRRKRIALGSGLEVSEINRIIKRFDQASKMAKRLTNKKGISDLMNLMSQAKNQTPPKMR |
Complex: ACY_B_7(1JPN) / Model_30(1JPN/B) = [3.7]
| Download | 149.89 | 27.31 | MFQALSDGFKNALNKIRFQDDEKALDRALDELKKTLLKNDVHHKVARELLKKVESQTKAGGIGKQQFLDALEKSLLEILSAKGSSGFTFAQTPPTVVLMAGLQGSGKTTTTAKLAHYLKTKNKKVLLCACDLQRLAAVEQLKVLGEQVGVEVFHEENKSVKEIANNALKRAKEAQFDVLIVDSAGRLAIDKELMQELKEVKEVLNPHEVLYVADALSGQDGVKSANTFNEEIGVSGVVLSKFDSDSKGGIALGITYQLGLPLRFIGSGEKIPDLDVFMPERIVGRLMGAGDIISLAEKTASVLNPNEAKDLSKKLKKGQFTFNDFLNQIEKVKKLGSMSSLISMIPGLGNMASALKDTDLESSLEVKKIKAMVNSMTKKERENPEILNGSRRKRIALGSGLEVSEINRIIKRFDQASKMAKRLTNKKGISDLMNLMSQAKNQTPPKMR |
Complex: EDO_B_14(3NG1) / Model_32(3NG1/B) = [3.7]
| Download | 91.24 | 21.25 | MFQALSDGFKNALNKIRFQDDEKALDRALDELKKTLLKNDVHHKVARELLKKVESQTKAGGIGKQQFLDALEKSLLEILSAKGSSGFTFAQTPPTVVLMAGLQGSGKTTTTAKLAHYLKTKNKKVLLCACDLQRLAAVEQLKVLGEQVGVEVFHEENKSVKEIANNALKRAKEAQFDVLIVDSAGRLAIDKELMQELKEVKEVLNPHEVLYVADALSGQDGVKSANTFNEEIGVSGVVLSKFDSDSKGGIALGITYQLGLPLRFIGSGEKIPDLDVFMPERIVGRLMGAGDIISLAEKTASVLNPNEAKDLSKKLKKGQFTFNDFLNQIEKVKKLGSMSSLISMIPGLGNMASALKDTDLESSLEVKKIKAMVNSMTKKERENPEILNGSRRKRIALGSGLEVSEINRIIKRFDQASKMAKRLTNKKGISDLMNLMSQAKNQTPPKMR |
Complex: EDO_A_12(3NG1) / Model_17(3NG1/A) = [3.7]
| Download | 104.83 | 21.25 | MFQALSDGFKNALNKIRFQDDEKALDRALDELKKTLLKNDVHHKVARELLKKVESQTKAGGIGKQQFLDALEKSLLEILSAKGSSGFTFAQTPPTVVLMAGLQGSGKTTTTAKLAHYLKTKNKKVLLCACDLQRLAAVEQLKVLGEQVGVEVFHEENKSVKEIANNALKRAKEAQFDVLIVDSAGRLAIDKELMQELKEVKEVLNPHEVLYVADALSGQDGVKSANTFNEEIGVSGVVLSKFDSDSKGGIALGITYQLGLPLRFIGSGEKIPDLDVFMPERIVGRLMGAGDIISLAEKTASVLNPNEAKDLSKKLKKGQFTFNDFLNQIEKVKKLGSMSSLISMIPGLGNMASALKDTDLESSLEVKKIKAMVNSMTKKERENPEILNGSRRKRIALGSGLEVSEINRIIKRFDQASKMAKRLTNKKGISDLMNLMSQAKNQTPPKMR |
Consensus [pKd Mean = 3.54] | - | 299 (s=375) | 22 (s=2) | MFQALSDGFKNALNKIRFQDDEKALDRALDELKKTLLKNDVHHKVARELLKKVESQTKAGGIGKQQFLDALEKSLLEILSAKGSSGFTFAQTPPTVVLMAGLQGSGKTTTTAKLAHYLKTKNKKVLLCACDLQRLAAVEQLKVLGEQVGVEVFHEENKSVKEIANNALKRAKEAQFDVLIVDSAGRLAIDKELMQELKEVKEVLNPHEVLYVADALSGQDGVKSANTFNEEIGVSGVVLSKFDSDSKGGIALGITYQLGLPLRFIGSGEKIPDLDVFMPERIVGRLMGAGDIISLAEKTASVLNPNEAKDLSKKLKKGQFTFNDFLNQIEKVKKLGSMSSLISMIPGLGNMASALKDTDLESSLEVKKIKAMVNSMTKKERENPEILNGSRRKRIALGSGLEVSEINRIIKRFDQASKMAKRLTNKKGISDLMNLMSQAKNQTPPKMR |