| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: CDI_A_2(4S38) / Model_5(4S38/A) = [3.3]
| Download | 561.92 | 7.56 | LNERIFRENTRPVQVGNLTIGGSEELTIQSMTTTKTHDVEATVAEIHRLEEAGCQIVRVACPDERAANALSAIKKKIHIPLVADIHFDYRLALKAIDAGVDKIRINPGNIGRRDRVEKVVNAAKAKNIPIRIGVNAGSLEKKIIQKYGYPTADGMVESALAHIKILEDLDFYDIIVSLKASDVNLAIEAYDKASRAFNYPLHLGITESGTQFAGGIKSAAGLGAILSLGIGNTLRVSLSADPVEEIKVAREVLKSFGLSSNAAMLISCPTCGRIEIDLIRIANEVENYIAKIEVPIKVAVLGCAVNGPGEAREADIGIAGSNGEGLLFRHGKIIRKVPEAIMIDELKKEIDILAEEFFVKKIDLESLR |
| Complex: SF4_A_3(4S38) / Model_5(4S38/A) = [3.4]
| Download | 115.80 | 18.57 | LNERIFRENTRPVQVGNLTIGGSEELTIQSMTTTKTHDVEATVAEIHRLEEAGCQIVRVACPDERAANALSAIKKKIHIPLVADIHFDYRLALKAIDAGVDKIRINPGNIGRRDRVEKVVNAAKAKNIPIRIGVNAGSLEKKIIQKYGYPTADGMVESALAHIKILEDLDFYDIIVSLKASDVNLAIEAYDKASRAFNYPLHLGITESGTQFAGGIKSAAGLGAILSLGIGNTLRVSLSADPVEEIKVAREVLKSFGLSSNAAMLISCPTCGRIEIDLIRIANEVENYIAKIEVPIKVAVLGCAVNGPGEAREADIGIAGSNGEGLLFRHGKIIRKVPEAIMIDELKKEIDILAEEFFVKKIDLESLR |
| Complex: SF4_A_3(4S3A) / Model_11(4S3A/A) = [3.4]
| Download | 63.83 | 19.50 | LNERIFRENTRPVQVGNLTIGGSEELTIQSMTTTKTHDVEATVAEIHRLEEAGCQIVRVACPDERAANALSAIKKKIHIPLVADIHFDYRLALKAIDAGVDKIRINPGNIGRRDRVEKVVNAAKAKNIPIRIGVNAGSLEKKIIQKYGYPTADGMVESALAHIKILEDLDFYDIIVSLKASDVNLAIEAYDKASRAFNYPLHLGITESGTQFAGGIKSAAGLGAILSLGIGNTLRVSLSADPVEEIKVAREVLKSFGLSSNAAMLISCPTCGRIEIDLIRIANEVENYIAKIEVPIKVAVLGCAVNGPGEAREADIGIAGSNGEGLLFRHGKIIRKVPEAIMIDELKKEIDILAEEFFVKKIDLESLR |
| Complex: SF4_A_3(4S3C) / Model_12(4S3C/A) = [3.6]
| Download | 108.80 | 18.57 | LNERIFRENTRPVQVGNLTIGGSEELTIQSMTTTKTHDVEATVAEIHRLEEAGCQIVRVACPDERAANALSAIKKKIHIPLVADIHFDYRLALKAIDAGVDKIRINPGNIGRRDRVEKVVNAAKAKNIPIRIGVNAGSLEKKIIQKYGYPTADGMVESALAHIKILEDLDFYDIIVSLKASDVNLAIEAYDKASRAFNYPLHLGITESGTQFAGGIKSAAGLGAILSLGIGNTLRVSLSADPVEEIKVAREVLKSFGLSSNAAMLISCPTCGRIEIDLIRIANEVENYIAKIEVPIKVAVLGCAVNGPGEAREADIGIAGSNGEGLLFRHGKIIRKVPEAIMIDELKKEIDILAEEFFVKKIDLESLR |
| Complex: SF4_A_2(4S39) / Model_6(4S39/A) = [3.6]
| Download | 84.78 | 19.50 | LNERIFRENTRPVQVGNLTIGGSEELTIQSMTTTKTHDVEATVAEIHRLEEAGCQIVRVACPDERAANALSAIKKKIHIPLVADIHFDYRLALKAIDAGVDKIRINPGNIGRRDRVEKVVNAAKAKNIPIRIGVNAGSLEKKIIQKYGYPTADGMVESALAHIKILEDLDFYDIIVSLKASDVNLAIEAYDKASRAFNYPLHLGITESGTQFAGGIKSAAGLGAILSLGIGNTLRVSLSADPVEEIKVAREVLKSFGLSSNAAMLISCPTCGRIEIDLIRIANEVENYIAKIEVPIKVAVLGCAVNGPGEAREADIGIAGSNGEGLLFRHGKIIRKVPEAIMIDELKKEIDILAEEFFVKKIDLESLR |
Consensus
[pKd Mean = 3.46] | - | 187
(s=188) | 16
(s=4) | LNERIFRENTRPVQVGNLTIGGSEELTIQSMTTTKTHDVEATVAEIHRLEEAGCQIVRVACPDERAANALSAIKKKIHIPLVADIHFDYRLALKAIDAGVDKIRINPGNIGRRDRVEKVVNAAKAKNIPIRIGVNAGSLEKKIIQKYGYPTADGMVESALAHIKILEDLDFYDIIVSLKASDVNLAIEAYDKASRAFNYPLHLGITESGTQFAGGIKSAAGLGAILSLGIGNTLRVSLSADPVEEIKVAREVLKSFGLSSNAAMLISCPTCGRIEIDLIRIANEVENYIAKIEVPIKVAVLGCAVNGPGEAREADIGIAGSNGEGLLFRHGKIIRKVPEAIMIDELKKEIDILAEEFFVKKIDLESLR |