| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: GLP_X_2(2VF5) / Model_5(2VF5/X) = [3.3]
| Download | 641.11 | 29.08 | MCGIVGYIGTNNAKGILLEGLEKLEYRGYDSAGIALQNKELVTVVKEKGRIADLASLVPSDAFGTTGIGHTRWATHGKPNHENAHPHQSKSGRFTIVHNGVIENYTLLKEEYLKNHSFVSDTDTEVIVQLIELFAAELSTKEAFKKALSLLHGSYAICLIDQTNTETLYAAKNKSPLLIGKGENFNVIASDAMAVLKETDEFVEIMDKEIVIVTKDGFTLETLEGEEITRASYKAELDASDIEKGTYPHYMLKEIDEQPAVTRKIIQAYQDEAGEINVDKTIIDEILSSDRIHIVACGTSYHAGLVGKNLIEKMAKIPVEVHVSSEFAYNLPLMSKKPLFIFITQSGETADSRQCLVKVKELGYRTLTLTNVPGSTLDREADHSMYLYAGPEIAVASTKAYTAQISVLAVLAVSLGREIGDEEALNINLAAELGIVATAMEAMVSSKEVIEHIAGEYLATSRNAFFLGRNIDYFVAMEAALKLKEISYIQAEGFASGELKHGTIALIEDGTPVLALITQESINWNIRGNVNEVLARGAKTCIFAMENVAQPGDRFVIPQVHPLLTPLASVIPCQLLAYYAALHRDCDVDKPRNLAKSVTVE |
| Complex: BG6_A_3(2PUW) / Model_18(2PUW/A) = [3.4]
| Download | 755.15 | 15.89 | MCGIVGYIGTNNAKGILLEGLEKLEYRGYDSAGIALQNKELVTVVKEKGRIADLASLVPSDAFGTTGIGHTRWATHGKPNHENAHPHQSKSGRFTIVHNGVIENYTLLKEEYLKNHSFVSDTDTEVIVQLIELFAAELSTKEAFKKALSLLHGSYAICLIDQTNTETLYAAKNKSPLLIGKGENFNVIASDAMAVLKETDEFVEIMDKEIVIVTKDGFTLETLEGEEITRASYKAELDASDIEKGTYPHYMLKEIDEQPAVTRKIIQAYQDEAGEINVDKTIIDEILSSDRIHIVACGTSYHAGLVGKNLIEKMAKIPVEVHVSSEFAYNLPLMSKKPLFIFITQSGETADSRQCLVKVKELGYRTLTLTNVPGSTLDREADHSMYLYAGPEIAVASTKAYTAQISVLAVLAVSLGREIGDEEALNINLAAELGIVATAMEAMVSSKEVIEHIAGEYLATSRNAFFLGRNIDYFVAMEAALKLKEISYIQAEGFASGELKHGTIALIEDGTPVLALITQESINWNIRGNVNEVLARGAKTCIFAMENVAQPGDRFVIPQVHPLLTPLASVIPCQLLAYYAALHRDCDVDKPRNLAKSVTVE |
| Complex: AGP_A_2(2ZJ4) / Model_14(2ZJ4/A) = [3.6]
| Download | 624.93 | 27.81 | MCGIVGYIGTNNAKGILLEGLEKLEYRGYDSAGIALQNKELVTVVKEKGRIADLASLVPSDAFGTTGIGHTRWATHGKPNHENAHPHQSKSGRFTIVHNGVIENYTLLKEEYLKNHSFVSDTDTEVIVQLIELFAAELSTKEAFKKALSLLHGSYAICLIDQTNTETLYAAKNKSPLLIGKGENFNVIASDAMAVLKETDEFVEIMDKEIVIVTKDGFTLETLEGEEITRASYKAELDASDIEKGTYPHYMLKEIDEQPAVTRKIIQAYQDEAGEINVDKTIIDEILSSDRIHIVACGTSYHAGLVGKNLIEKMAKIPVEVHVSSEFAYNLPLMSKKPLFIFITQSGETADSRQCLVKVKELGYRTLTLTNVPGSTLDREADHSMYLYAGPEIAVASTKAYTAQISVLAVLAVSLGREIGDEEALNINLAAELGIVATAMEAMVSSKEVIEHIAGEYLATSRNAFFLGRNIDYFVAMEAALKLKEISYIQAEGFASGELKHGTIALIEDGTPVLALITQESINWNIRGNVNEVLARGAKTCIFAMENVAQPGDRFVIPQVHPLLTPLASVIPCQLLAYYAALHRDCDVDKPRNLAKSVTVE |
| Complex: G6P_A_2(1MOR) / Model_10(1MOR/A) = [4.2]
| Download | 655.40 | 30.27 | MCGIVGYIGTNNAKGILLEGLEKLEYRGYDSAGIALQNKELVTVVKEKGRIADLASLVPSDAFGTTGIGHTRWATHGKPNHENAHPHQSKSGRFTIVHNGVIENYTLLKEEYLKNHSFVSDTDTEVIVQLIELFAAELSTKEAFKKALSLLHGSYAICLIDQTNTETLYAAKNKSPLLIGKGENFNVIASDAMAVLKETDEFVEIMDKEIVIVTKDGFTLETLEGEEITRASYKAELDASDIEKGTYPHYMLKEIDEQPAVTRKIIQAYQDEAGEINVDKTIIDEILSSDRIHIVACGTSYHAGLVGKNLIEKMAKIPVEVHVSSEFAYNLPLMSKKPLFIFITQSGETADSRQCLVKVKELGYRTLTLTNVPGSTLDREADHSMYLYAGPEIAVASTKAYTAQISVLAVLAVSLGREIGDEEALNINLAAELGIVATAMEAMVSSKEVIEHIAGEYLATSRNAFFLGRNIDYFVAMEAALKLKEISYIQAEGFASGELKHGTIALIEDGTPVLALITQESINWNIRGNVNEVLARGAKTCIFAMENVAQPGDRFVIPQVHPLLTPLASVIPCQLLAYYAALHRDCDVDKPRNLAKSVTVE |
| Complex: GLP_A_2(1MOQ) / Model_9(1MOQ/A) = [4.3]
| Download | 513.37 | 27.17 | MCGIVGYIGTNNAKGILLEGLEKLEYRGYDSAGIALQNKELVTVVKEKGRIADLASLVPSDAFGTTGIGHTRWATHGKPNHENAHPHQSKSGRFTIVHNGVIENYTLLKEEYLKNHSFVSDTDTEVIVQLIELFAAELSTKEAFKKALSLLHGSYAICLIDQTNTETLYAAKNKSPLLIGKGENFNVIASDAMAVLKETDEFVEIMDKEIVIVTKDGFTLETLEGEEITRASYKAELDASDIEKGTYPHYMLKEIDEQPAVTRKIIQAYQDEAGEINVDKTIIDEILSSDRIHIVACGTSYHAGLVGKNLIEKMAKIPVEVHVSSEFAYNLPLMSKKPLFIFITQSGETADSRQCLVKVKELGYRTLTLTNVPGSTLDREADHSMYLYAGPEIAVASTKAYTAQISVLAVLAVSLGREIGDEEALNINLAAELGIVATAMEAMVSSKEVIEHIAGEYLATSRNAFFLGRNIDYFVAMEAALKLKEISYIQAEGFASGELKHGTIALIEDGTPVLALITQESINWNIRGNVNEVLARGAKTCIFAMENVAQPGDRFVIPQVHPLLTPLASVIPCQLLAYYAALHRDCDVDKPRNLAKSVTVE |
Consensus
[pKd Mean = 3.76] | - | 637
(s=77) | 26
(s=5) | MCGIVGYIGTNNAKGILLEGLEKLEYRGYDSAGIALQNKELVTVVKEKGRIADLASLVPSDAFGTTGIGHTRWATHGKPNHENAHPHQSKSGRFTIVHNGVIENYTLLKEEYLKNHSFVSDTDTEVIVQLIELFAAELSTKEAFKKALSLLHGSYAICLIDQTNTETLYAAKNKSPLLIGKGENFNVIASDAMAVLKETDEFVEIMDKEIVIVTKDGFTLETLEGEEITRASYKAELDASDIEKGTYPHYMLKEIDEQPAVTRKIIQAYQDEAGEINVDKTIIDEILSSDRIHIVACGTSYHAGLVGKNLIEKMAKIPVEVHVSSEFAYNLPLMSKKPLFIFITQSGETADSRQCLVKVKELGYRTLTLTNVPGSTLDREADHSMYLYAGPEIAVASTKAYTAQISVLAVLAVSLGREIGDEEALNINLAAELGIVATAMEAMVSSKEVIEHIAGEYLATSRNAFFLGRNIDYFVAMEAALKLKEISYIQAEGFASGELKHGTIALIEDGTPVLALITQESINWNIRGNVNEVLARGAKTCIFAMENVAQPGDRFVIPQVHPLLTPLASVIPCQLLAYYAALHRDCDVDKPRNLAKSVTVE |