| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: AMP_A_4(2YRX) / Model_29(2YRX/A) = [3.6]
| Download | 1284.97 | 15.81 | MNLLVVGSGGREHAISKKLLASNNVEKVFCAPGNDGMRLDDIQLVAISETDKAGLIDFAKKAEIAFVIVGPEVPLLEGVVDALEEAGIKAFGPKANAALIEGSKDFAKQFMEKYAIPTAASRTFTDYAEAKAYLNERGVPIVIKADGLAAGKGVTVALEMEEAVLALKDMMLEEKFGDASLKVVIEDFLAGEEFSLMAFVNGEEVYPMSIAQDHKRAYEGDKGPNTGGMGAYSPVPHISEAVIEEAVQKILLPTAKGMVKEGRYFRGILYAGLILTADGPKVIEFNARFGDPETQVVLPRLESDFAALIDALLHNEKPDVRFKKTGLTLGVVLASAGYPEHYEKGNKLTGLNDIAEDVAIYHAGTKQDENGDFISDGGRVLLLAKEAETMSDARTLLYPEMQKLDNPNFFYRIDIGTKAE |
| Complex: ANP_A_2(2XCL) / Model_25(2XCL/A) = [5.3]
| Download | 1383.98 | 5.67 | MNLLVVGSGGREHAISKKLLASNNVEKVFCAPGNDGMRLDDIQLVAISETDKAGLIDFAKKAEIAFVIVGPEVPLLEGVVDALEEAGIKAFGPKANAALIEGSKDFAKQFMEKYAIPTAASRTFTDYAEAKAYLNERGVPIVIKADGLAAGKGVTVALEMEEAVLALKDMMLEEKFGDASLKVVIEDFLAGEEFSLMAFVNGEEVYPMSIAQDHKRAYEGDKGPNTGGMGAYSPVPHISEAVIEEAVQKILLPTAKGMVKEGRYFRGILYAGLILTADGPKVIEFNARFGDPETQVVLPRLESDFAALIDALLHNEKPDVRFKKTGLTLGVVLASAGYPEHYEKGNKLTGLNDIAEDVAIYHAGTKQDENGDFISDGGRVLLLAKEAETMSDARTLLYPEMQKLDNPNFFYRIDIGTKAE |
| Complex: ATP_A_8(2QK4) / Model_31(2QK4/A) = [5.6]
| Download | 1883.75 | 17.81 | MNLLVVGSGGREHAISKKLLASNNVEKVFCAPGNDGMRLDDIQLVAISETDKAGLIDFAKKAEIAFVIVGPEVPLLEGVVDALEEAGIKAFGPKANAALIEGSKDFAKQFMEKYAIPTAASRTFTDYAEAKAYLNERGVPIVIKADGLAAGKGVTVALEMEEAVLALKDMMLEEKFGDASLKVVIEDFLAGEEFSLMAFVNGEEVYPMSIAQDHKRAYEGDKGPNTGGMGAYSPVPHISEAVIEEAVQKILLPTAKGMVKEGRYFRGILYAGLILTADGPKVIEFNARFGDPETQVVLPRLESDFAALIDALLHNEKPDVRFKKTGLTLGVVLASAGYPEHYEKGNKLTGLNDIAEDVAIYHAGTKQDENGDFISDGGRVLLLAKEAETMSDARTLLYPEMQKLDNPNFFYRIDIGTKAE |
| Complex: ATP_A_8(2QK4) / Model_11(2QK4/A) = [5.6]
| Download | 1965.23 | 17.81 | MNLLVVGSGGREHAISKKLLASNNVEKVFCAPGNDGMRLDDIQLVAISETDKAGLIDFAKKAEIAFVIVGPEVPLLEGVVDALEEAGIKAFGPKANAALIEGSKDFAKQFMEKYAIPTAASRTFTDYAEAKAYLNERGVPIVIKADGLAAGKGVTVALEMEEAVLALKDMMLEEKFGDASLKVVIEDFLAGEEFSLMAFVNGEEVYPMSIAQDHKRAYEGDKGPNTGGMGAYSPVPHISEAVIEEAVQKILLPTAKGMVKEGRYFRGILYAGLILTADGPKVIEFNARFGDPETQVVLPRLESDFAALIDALLHNEKPDVRFKKTGLTLGVVLASAGYPEHYEKGNKLTGLNDIAEDVAIYHAGTKQDENGDFISDGGRVLLLAKEAETMSDARTLLYPEMQKLDNPNFFYRIDIGTKAE |
| Complex: ATP_B_6(2YW2) / Model_21(2YW2/B) = [6.0]
| Download | 1227.51 | 15.03 | MNLLVVGSGGREHAISKKLLASNNVEKVFCAPGNDGMRLDDIQLVAISETDKAGLIDFAKKAEIAFVIVGPEVPLLEGVVDALEEAGIKAFGPKANAALIEGSKDFAKQFMEKYAIPTAASRTFTDYAEAKAYLNERGVPIVIKADGLAAGKGVTVALEMEEAVLALKDMMLEEKFGDASLKVVIEDFLAGEEFSLMAFVNGEEVYPMSIAQDHKRAYEGDKGPNTGGMGAYSPVPHISEAVIEEAVQKILLPTAKGMVKEGRYFRGILYAGLILTADGPKVIEFNARFGDPETQVVLPRLESDFAALIDALLHNEKPDVRFKKTGLTLGVVLASAGYPEHYEKGNKLTGLNDIAEDVAIYHAGTKQDENGDFISDGGRVLLLAKEAETMSDARTLLYPEMQKLDNPNFFYRIDIGTKAE |
Consensus
[pKd Mean = 5.22] | - | 1549
(s=311) | 14
(s=4) | MNLLVVGSGGREHAISKKLLASNNVEKVFCAPGNDGMRLDDIQLVAISETDKAGLIDFAKKAEIAFVIVGPEVPLLEGVVDALEEAGIKAFGPKANAALIEGSKDFAKQFMEKYAIPTAASRTFTDYAEAKAYLNERGVPIVIKADGLAAGKGVTVALEMEEAVLALKDMMLEEKFGDASLKVVIEDFLAGEEFSLMAFVNGEEVYPMSIAQDHKRAYEGDKGPNTGGMGAYSPVPHISEAVIEEAVQKILLPTAKGMVKEGRYFRGILYAGLILTADGPKVIEFNARFGDPETQVVLPRLESDFAALIDALLHNEKPDVRFKKTGLTLGVVLASAGYPEHYEKGNKLTGLNDIAEDVAIYHAGTKQDENGDFISDGGRVLLLAKEAETMSDARTLLYPEMQKLDNPNFFYRIDIGTKAE |