| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: FDA_B_15(4N5F) / Model_34(4N5F/B) = [3.7]
| Download | 2020.58 | 12.00 | MAKKAADVQKGGGFLIEDVTYDQMYTPEDFTDEHKMIAKTTEDYIEQDVLPHIDDIENHQFEHSVRLLKKAGELGLLGADVPEEYGGLGLDKISSALITEKFSRAGSFSLSYGAHVGIGSLPIVFFGSEEQKKKYLPGLASGEKIAAYALTEPGSGSDALGAKTTAVLNEAGTHYVLTGEKQWITNSAFADVFVVYAKVDGDKFSAFIVEKEFPGVSTGPEEKKMGIKGSSTRTLILDQAEVPKENLLGEIGKGHVIAFNILNIGRYKLAVGTIGASKRVIELSAAYANQRRQFKTPIAGFSLTQEKIGTMASRLYAMESSVYRTVGLFEDNMSQFTAEDLKDGRQIAKSIAEYAIECSLNKVFGSETLDYIVDEGVQIHGGYGFMQEYEVERAYRDSRINRIFEGTNEINRLIVPSTFLKKALKGELPLFEKAQSLQEELMMLMPEEPGSGVLEQEKYIVKQAKKIALFAAGLAAQKYGKAIDREQEILVNVADIVSNVYAMESAVLRTEKAIAAQGAEKAAQKVLYTEIFVQEAFNEIEAHAKESLIAMEEGDSLRMMLSALRKLTRVTPKNVIQKKREAAAGIFEAEKYTV |
| Complex: FAD_A_5(3MDD) / Model_75(3MDD/A) = [4.2]
| Download | 880.55 | 6.50 | MAKKAADVQKGGGFLIEDVTYDQMYTPEDFTDEHKMIAKTTEDYIEQDVLPHIDDIENHQFEHSVRLLKKAGELGLLGADVPEEYGGLGLDKISSALITEKFSRAGSFSLSYGAHVGIGSLPIVFFGSEEQKKKYLPGLASGEKIAAYALTEPGSGSDALGAKTTAVLNEAGTHYVLTGEKQWITNSAFADVFVVYAKVDGDKFSAFIVEKEFPGVSTGPEEKKMGIKGSSTRTLILDQAEVPKENLLGEIGKGHVIAFNILNIGRYKLAVGTIGASKRVIELSAAYANQRRQFKTPIAGFSLTQEKIGTMASRLYAMESSVYRTVGLFEDNMSQFTAEDLKDGRQIAKSIAEYAIECSLNKVFGSETLDYIVDEGVQIHGGYGFMQEYEVERAYRDSRINRIFEGTNEINRLIVPSTFLKKALKGELPLFEKAQSLQEELMMLMPEEPGSGVLEQEKYIVKQAKKIALFAAGLAAQKYGKAIDREQEILVNVADIVSNVYAMESAVLRTEKAIAAQGAEKAAQKVLYTEIFVQEAFNEIEAHAKESLIAMEEGDSLRMMLSALRKLTRVTPKNVIQKKREAAAGIFEAEKYTV |
| Complex: FAD_A_5(2PG0) / Model_130(2PG0/A) = [4.4]
| Download | 950.15 | 8.45 | MAKKAADVQKGGGFLIEDVTYDQMYTPEDFTDEHKMIAKTTEDYIEQDVLPHIDDIENHQFEHSVRLLKKAGELGLLGADVPEEYGGLGLDKISSALITEKFSRAGSFSLSYGAHVGIGSLPIVFFGSEEQKKKYLPGLASGEKIAAYALTEPGSGSDALGAKTTAVLNEAGTHYVLTGEKQWITNSAFADVFVVYAKVDGDKFSAFIVEKEFPGVSTGPEEKKMGIKGSSTRTLILDQAEVPKENLLGEIGKGHVIAFNILNIGRYKLAVGTIGASKRVIELSAAYANQRRQFKTPIAGFSLTQEKIGTMASRLYAMESSVYRTVGLFEDNMSQFTAEDLKDGRQIAKSIAEYAIECSLNKVFGSETLDYIVDEGVQIHGGYGFMQEYEVERAYRDSRINRIFEGTNEINRLIVPSTFLKKALKGELPLFEKAQSLQEELMMLMPEEPGSGVLEQEKYIVKQAKKIALFAAGLAAQKYGKAIDREQEILVNVADIVSNVYAMESAVLRTEKAIAAQGAEKAAQKVLYTEIFVQEAFNEIEAHAKESLIAMEEGDSLRMMLSALRKLTRVTPKNVIQKKREAAAGIFEAEKYTV |
| Complex: FAD_A_9(1BUC) / Model_91(1BUC/A) = [4.7]
| Download | 948.60 | 15.03 | MAKKAADVQKGGGFLIEDVTYDQMYTPEDFTDEHKMIAKTTEDYIEQDVLPHIDDIENHQFEHSVRLLKKAGELGLLGADVPEEYGGLGLDKISSALITEKFSRAGSFSLSYGAHVGIGSLPIVFFGSEEQKKKYLPGLASGEKIAAYALTEPGSGSDALGAKTTAVLNEAGTHYVLTGEKQWITNSAFADVFVVYAKVDGDKFSAFIVEKEFPGVSTGPEEKKMGIKGSSTRTLILDQAEVPKENLLGEIGKGHVIAFNILNIGRYKLAVGTIGASKRVIELSAAYANQRRQFKTPIAGFSLTQEKIGTMASRLYAMESSVYRTVGLFEDNMSQFTAEDLKDGRQIAKSIAEYAIECSLNKVFGSETLDYIVDEGVQIHGGYGFMQEYEVERAYRDSRINRIFEGTNEINRLIVPSTFLKKALKGELPLFEKAQSLQEELMMLMPEEPGSGVLEQEKYIVKQAKKIALFAAGLAAQKYGKAIDREQEILVNVADIVSNVYAMESAVLRTEKAIAAQGAEKAAQKVLYTEIFVQEAFNEIEAHAKESLIAMEEGDSLRMMLSALRKLTRVTPKNVIQKKREAAAGIFEAEKYTV |
| Complex: FAD_B_11(3MDE) / Model_72(3MDE/B) = [4.7]
| Download | 875.19 | 8.66 | MAKKAADVQKGGGFLIEDVTYDQMYTPEDFTDEHKMIAKTTEDYIEQDVLPHIDDIENHQFEHSVRLLKKAGELGLLGADVPEEYGGLGLDKISSALITEKFSRAGSFSLSYGAHVGIGSLPIVFFGSEEQKKKYLPGLASGEKIAAYALTEPGSGSDALGAKTTAVLNEAGTHYVLTGEKQWITNSAFADVFVVYAKVDGDKFSAFIVEKEFPGVSTGPEEKKMGIKGSSTRTLILDQAEVPKENLLGEIGKGHVIAFNILNIGRYKLAVGTIGASKRVIELSAAYANQRRQFKTPIAGFSLTQEKIGTMASRLYAMESSVYRTVGLFEDNMSQFTAEDLKDGRQIAKSIAEYAIECSLNKVFGSETLDYIVDEGVQIHGGYGFMQEYEVERAYRDSRINRIFEGTNEINRLIVPSTFLKKALKGELPLFEKAQSLQEELMMLMPEEPGSGVLEQEKYIVKQAKKIALFAAGLAAQKYGKAIDREQEILVNVADIVSNVYAMESAVLRTEKAIAAQGAEKAAQKVLYTEIFVQEAFNEIEAHAKESLIAMEEGDSLRMMLSALRKLTRVTPKNVIQKKREAAAGIFEAEKYTV |
Consensus
[pKd Mean = 4.34] | - | 1135
(s=443) | 10
(s=3) | MAKKAADVQKGGGFLIEDVTYDQMYTPEDFTDEHKMIAKTTEDYIEQDVLPHIDDIENHQFEHSVRLLKKAGELGLLGADVPEEYGGLGLDKISSALITEKFSRAGSFSLSYGAHVGIGSLPIVFFGSEEQKKKYLPGLASGEKIAAYALTEPGSGSDALGAKTTAVLNEAGTHYVLTGEKQWITNSAFADVFVVYAKVDGDKFSAFIVEKEFPGVSTGPEEKKMGIKGSSTRTLILDQAEVPKENLLGEIGKGHVIAFNILNIGRYKLAVGTIGASKRVIELSAAYANQRRQFKTPIAGFSLTQEKIGTMASRLYAMESSVYRTVGLFEDNMSQFTAEDLKDGRQIAKSIAEYAIECSLNKVFGSETLDYIVDEGVQIHGGYGFMQEYEVERAYRDSRINRIFEGTNEINRLIVPSTFLKKALKGELPLFEKAQSLQEELMMLMPEEPGSGVLEQEKYIVKQAKKIALFAAGLAAQKYGKAIDREQEILVNVADIVSNVYAMESAVLRTEKAIAAQGAEKAAQKVLYTEIFVQEAFNEIEAHAKESLIAMEEGDSLRMMLSALRKLTRVTPKNVIQKKREAAAGIFEAEKYTV |