| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: TUI_B_10(2Z6J) / Model_21(2Z6J/B) = [7.0]
| Download | 1828.67 | 39.19 | MSLTEMLQIKYPILQGAMAQIATYELASAVSNAGGLGIIASGGMSADALREQIRLCKEKTTKPFAVNIMLMMPNCPELVDVIIEEDVRVVTTGAGTPKPFMEKFKAAGIKVIAVIPSVKIAQKMEEIGVDAVVAEGTEAGGHVGETTTMALVRQVVSAVNIPVIAAGGIADGHGMAAVYALGASGVQIGTLFLVAEECPVPASFKQAVLDATDTSTTVTGRRNGAPVRSIKNPMIQKYVELENENASRDKLEELTLGSLRKAVHEGDVENGSVMAGQICGMLTEIRSTSDIIENLMKESKQVASNLVIQ |
| Complex: FMN_B_9(2Z6J) / Model_21(2Z6J/B) = [8.9]
| Download | 853.10 | 29.38 | MSLTEMLQIKYPILQGAMAQIATYELASAVSNAGGLGIIASGGMSADALREQIRLCKEKTTKPFAVNIMLMMPNCPELVDVIIEEDVRVVTTGAGTPKPFMEKFKAAGIKVIAVIPSVKIAQKMEEIGVDAVVAEGTEAGGHVGETTTMALVRQVVSAVNIPVIAAGGIADGHGMAAVYALGASGVQIGTLFLVAEECPVPASFKQAVLDATDTSTTVTGRRNGAPVRSIKNPMIQKYVELENENASRDKLEELTLGSLRKAVHEGDVENGSVMAGQICGMLTEIRSTSDIIENLMKESKQVASNLVIQ |
| Complex: FMN_B_10(4IQL) / Model_22(4IQL/B) = [9.1]
| Download | 883.21 | 26.83 | MSLTEMLQIKYPILQGAMAQIATYELASAVSNAGGLGIIASGGMSADALREQIRLCKEKTTKPFAVNIMLMMPNCPELVDVIIEEDVRVVTTGAGTPKPFMEKFKAAGIKVIAVIPSVKIAQKMEEIGVDAVVAEGTEAGGHVGETTTMALVRQVVSAVNIPVIAAGGIADGHGMAAVYALGASGVQIGTLFLVAEECPVPASFKQAVLDATDTSTTVTGRRNGAPVRSIKNPMIQKYVELENENASRDKLEELTLGSLRKAVHEGDVENGSVMAGQICGMLTEIRSTSDIIENLMKESKQVASNLVIQ |
| Complex: FMN_A_9(2Z6I) / Model_94(2Z6I/A) = [9.5]
| Download | 837.84 | 27.86 | MSLTEMLQIKYPILQGAMAQIATYELASAVSNAGGLGIIASGGMSADALREQIRLCKEKTTKPFAVNIMLMMPNCPELVDVIIEEDVRVVTTGAGTPKPFMEKFKAAGIKVIAVIPSVKIAQKMEEIGVDAVVAEGTEAGGHVGETTTMALVRQVVSAVNIPVIAAGGIADGHGMAAVYALGASGVQIGTLFLVAEECPVPASFKQAVLDATDTSTTVTGRRNGAPVRSIKNPMIQKYVELENENASRDKLEELTLGSLRKAVHEGDVENGSVMAGQICGMLTEIRSTSDIIENLMKESKQVASNLVIQ |
Consensus
[pKd Mean = 8.62] | - | 1100
(s=420) | 30
(s=4) | MSLTEMLQIKYPILQGAMAQIATYELASAVSNAGGLGIIASGGMSADALREQIRLCKEKTTKPFAVNIMLMMPNCPELVDVIIEEDVRVVTTGAGTPKPFMEKFKAAGIKVIAVIPSVKIAQKMEEIGVDAVVAEGTEAGGHVGETTTMALVRQVVSAVNIPVIAAGGIADGHGMAAVYALGASGVQIGTLFLVAEECPVPASFKQAVLDATDTSTTVTGRRNGAPVRSIKNPMIQKYVELENENASRDKLEELTLGSLRKAVHEGDVENGSVMAGQICGMLTEIRSTSDIIENLMKESKQVASNLVIQ |