| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: BEZ_A_2(6EF6) / Model_39(6EF6/A) = [3.6]
| Download | 357.95 | 39.26 | MSVEVNSEETVPEVLLLDLGGITFPSPIGPLLAAAESIRDPGLPRRMVSSVLWKELECGFLTIPEFCEQFAKGKAVVQEALIGWFEGLRAMEPSPRMIILLSELRLKYPGLKIGAVTNNFKHPAPLRPMRDLRGELLFDTIVESAVEGMAKGHPGGERWALVEVWNFHDGSYMEAHIIWSSVRLFKTALERLDYHGPASAVLYLDDLKHNLAQPASLGIRTRHAITPEEATETIRKMLALDVSSGSPLQKYLASLGVLPDSISDQARPFAWQFSFGQSNPTYLVGLIPEKPLEGYTLQKLLEEKCAVLRKQPPGELLPSAHDVVREYTVMSELGKEGCVPVPRTLGLCTDKTICGAAFYVMRFVTGVVFTDPNLPNLQPYQRRKVYEDLMKTAAAVHNFPWHRSEALTQRFRGDPSKYVSKQVERWSTQGIDVEGFKRLAKGLLDNVKISQKSPEFQSLVHGDFRLDNCIYDPHTFEVVAVLDWELSTTGNSLVDIASALSQYYGLYPGIAQLSSNFEELGIPKERELLDLYLRYREVESIPEGLMQYMEAFQCLRMAGILYGVLMRTKKGNASQQHQQAKGGSIFSMAYVTKLCTRGLELLQSRACSSSPIAVDAPSKL |
| Complex: GDP_A_2(3TDW) / Model_47(3TDW/A) = [3.7]
| Download | 828.55 | 18.36 | MSVEVNSEETVPEVLLLDLGGITFPSPIGPLLAAAESIRDPGLPRRMVSSVLWKELECGFLTIPEFCEQFAKGKAVVQEALIGWFEGLRAMEPSPRMIILLSELRLKYPGLKIGAVTNNFKHPAPLRPMRDLRGELLFDTIVESAVEGMAKGHPGGERWALVEVWNFHDGSYMEAHIIWSSVRLFKTALERLDYHGPASAVLYLDDLKHNLAQPASLGIRTRHAITPEEATETIRKMLALDVSSGSPLQKYLASLGVLPDSISDQARPFAWQFSFGQSNPTYLVGLIPEKPLEGYTLQKLLEEKCAVLRKQPPGELLPSAHDVVREYTVMSELGKEGCVPVPRTLGLCTDKTICGAAFYVMRFVTGVVFTDPNLPNLQPYQRRKVYEDLMKTAAAVHNFPWHRSEALTQRFRGDPSKYVSKQVERWSTQGIDVEGFKRLAKGLLDNVKISQKSPEFQSLVHGDFRLDNCIYDPHTFEVVAVLDWELSTTGNSLVDIASALSQYYGLYPGIAQLSSNFEELGIPKERELLDLYLRYREVESIPEGLMQYMEAFQCLRMAGILYGVLMRTKKGNASQQHQQAKGGSIFSMAYVTKLCTRGLELLQSRACSSSPIAVDAPSKL |
| Complex: ZIT_A_3(5IGI) / Model_48(5IGI/A) = [4.2]
| Download | 1963.54 | 28.31 | MSVEVNSEETVPEVLLLDLGGITFPSPIGPLLAAAESIRDPGLPRRMVSSVLWKELECGFLTIPEFCEQFAKGKAVVQEALIGWFEGLRAMEPSPRMIILLSELRLKYPGLKIGAVTNNFKHPAPLRPMRDLRGELLFDTIVESAVEGMAKGHPGGERWALVEVWNFHDGSYMEAHIIWSSVRLFKTALERLDYHGPASAVLYLDDLKHNLAQPASLGIRTRHAITPEEATETIRKMLALDVSSGSPLQKYLASLGVLPDSISDQARPFAWQFSFGQSNPTYLVGLIPEKPLEGYTLQKLLEEKCAVLRKQPPGELLPSAHDVVREYTVMSELGKEGCVPVPRTLGLCTDKTICGAAFYVMRFVTGVVFTDPNLPNLQPYQRRKVYEDLMKTAAAVHNFPWHRSEALTQRFRGDPSKYVSKQVERWSTQGIDVEGFKRLAKGLLDNVKISQKSPEFQSLVHGDFRLDNCIYDPHTFEVVAVLDWELSTTGNSLVDIASALSQYYGLYPGIAQLSSNFEELGIPKERELLDLYLRYREVESIPEGLMQYMEAFQCLRMAGILYGVLMRTKKGNASQQHQQAKGGSIFSMAYVTKLCTRGLELLQSRACSSSPIAVDAPSKL |
| Complex: ATP_A_8(3ATT) / Model_38(3ATT/A) = [4.4]
| Download | 1278.55 | 18.67 | MSVEVNSEETVPEVLLLDLGGITFPSPIGPLLAAAESIRDPGLPRRMVSSVLWKELECGFLTIPEFCEQFAKGKAVVQEALIGWFEGLRAMEPSPRMIILLSELRLKYPGLKIGAVTNNFKHPAPLRPMRDLRGELLFDTIVESAVEGMAKGHPGGERWALVEVWNFHDGSYMEAHIIWSSVRLFKTALERLDYHGPASAVLYLDDLKHNLAQPASLGIRTRHAITPEEATETIRKMLALDVSSGSPLQKYLASLGVLPDSISDQARPFAWQFSFGQSNPTYLVGLIPEKPLEGYTLQKLLEEKCAVLRKQPPGELLPSAHDVVREYTVMSELGKEGCVPVPRTLGLCTDKTICGAAFYVMRFVTGVVFTDPNLPNLQPYQRRKVYEDLMKTAAAVHNFPWHRSEALTQRFRGDPSKYVSKQVERWSTQGIDVEGFKRLAKGLLDNVKISQKSPEFQSLVHGDFRLDNCIYDPHTFEVVAVLDWELSTTGNSLVDIASALSQYYGLYPGIAQLSSNFEELGIPKERELLDLYLRYREVESIPEGLMQYMEAFQCLRMAGILYGVLMRTKKGNASQQHQQAKGGSIFSMAYVTKLCTRGLELLQSRACSSSPIAVDAPSKL |
| Complex: ADP_A_7(1J7L) / Model_26(1J7L/A) = [5.3]
| Download | 1426.84 | 22.04 | MSVEVNSEETVPEVLLLDLGGITFPSPIGPLLAAAESIRDPGLPRRMVSSVLWKELECGFLTIPEFCEQFAKGKAVVQEALIGWFEGLRAMEPSPRMIILLSELRLKYPGLKIGAVTNNFKHPAPLRPMRDLRGELLFDTIVESAVEGMAKGHPGGERWALVEVWNFHDGSYMEAHIIWSSVRLFKTALERLDYHGPASAVLYLDDLKHNLAQPASLGIRTRHAITPEEATETIRKMLALDVSSGSPLQKYLASLGVLPDSISDQARPFAWQFSFGQSNPTYLVGLIPEKPLEGYTLQKLLEEKCAVLRKQPPGELLPSAHDVVREYTVMSELGKEGCVPVPRTLGLCTDKTICGAAFYVMRFVTGVVFTDPNLPNLQPYQRRKVYEDLMKTAAAVHNFPWHRSEALTQRFRGDPSKYVSKQVERWSTQGIDVEGFKRLAKGLLDNVKISQKSPEFQSLVHGDFRLDNCIYDPHTFEVVAVLDWELSTTGNSLVDIASALSQYYGLYPGIAQLSSNFEELGIPKERELLDLYLRYREVESIPEGLMQYMEAFQCLRMAGILYGVLMRTKKGNASQQHQQAKGGSIFSMAYVTKLCTRGLELLQSRACSSSPIAVDAPSKL |
Consensus
[pKd Mean = 4.24] | - | 1171
(s=544) | 25
(s=7) | MSVEVNSEETVPEVLLLDLGGITFPSPIGPLLAAAESIRDPGLPRRMVSSVLWKELECGFLTIPEFCEQFAKGKAVVQEALIGWFEGLRAMEPSPRMIILLSELRLKYPGLKIGAVTNNFKHPAPLRPMRDLRGELLFDTIVESAVEGMAKGHPGGERWALVEVWNFHDGSYMEAHIIWSSVRLFKTALERLDYHGPASAVLYLDDLKHNLAQPASLGIRTRHAITPEEATETIRKMLALDVSSGSPLQKYLASLGVLPDSISDQARPFAWQFSFGQSNPTYLVGLIPEKPLEGYTLQKLLEEKCAVLRKQPPGELLPSAHDVVREYTVMSELGKEGCVPVPRTLGLCTDKTICGAAFYVMRFVTGVVFTDPNLPNLQPYQRRKVYEDLMKTAAAVHNFPWHRSEALTQRFRGDPSKYVSKQVERWSTQGIDVEGFKRLAKGLLDNVKISQKSPEFQSLVHGDFRLDNCIYDPHTFEVVAVLDWELSTTGNSLVDIASALSQYYGLYPGIAQLSSNFEELGIPKERELLDLYLRYREVESIPEGLMQYMEAFQCLRMAGILYGVLMRTKKGNASQQHQQAKGGSIFSMAYVTKLCTRGLELLQSRACSSSPIAVDAPSKL |