Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: ADP_A_3(3JUX) / Model_17(3JUX/A) = [5.5]
| Download | 1391.44 | 14.62 | MSFFFKRTFGSINKKIIKSFRKIVEQINALETKMQSLSDEELADKTEEFKRELKNGKTLNDLLVPAFAVVREASRRFLNMRHFDVQLIGGMVLHNGMVSEMKTGEGKTLVATLAAYLNSLEGKGVHVVTVNDYLAKRDTEWMSKLYNSLGVSVAFITNDLTDEERKEAYSADIVYSTNNELAFDYLRDNMKFSREDMVQRGFNYAIVDEVDSILIDEARTPLIISGPVEENNQIYKHIDKIVTKLVDSDYEVDEKGRAVFLTEDGISQVEELLRSYNLISEKSSLYDAGNMIMTHYIDQALRAHKLFTADKDYIVKDGKVVIIDEFTGRMMEGRRYSDGLHQALEAKENLEIQYENQTLASVTFQNYFRMYNKLSGMTGTAATEAEELRDIYRLNVVKIPTNVTVKRIDVDDEIYGTEKEKFNAVLKFIKECHKRLQPVLVGTVSIENSEKLSALLRNHFLRHSVLNARYHEQEAYIIAQAGVPGNITIATNMAGRGTDIQLGGNAEMIAKVELKKIKNADEREKKYQEIIERVKRDKEIAMKAGGLCVIGTERHESRRIDDQLRGRSGRQGDPGLSKFFLSLEDDLMRIFGSDRMRSFLKRVGLKNNEAIHHPWINKALEKAQKKVEARNYDVRKSLLKFDDVINNQRKVIFEQRNHILGNEINDLFEVYSEVNKSVMESIVQGGYYEDYVEDIAKEFHIRYGITLDKKDLAKFLNKQEALDYINGKVKEFFTEKEKYFNGQQTTDLWNTIVKQVMIMTLDHLWREHLSILESLRQSIGLRAMGQKDPLNEFKREAFLIFECMLERGKELTIHRLAHFKLVDNQEVGGRLHPTRKDNLPKVSRNDKCPCNSGKKYKHCHGAVTVMN |
Complex: ADP_A_2(4YS0) / Model_15(4YS0/A) = [7.1]
| Download | 997.48 | 17.17 | MSFFFKRTFGSINKKIIKSFRKIVEQINALETKMQSLSDEELADKTEEFKRELKNGKTLNDLLVPAFAVVREASRRFLNMRHFDVQLIGGMVLHNGMVSEMKTGEGKTLVATLAAYLNSLEGKGVHVVTVNDYLAKRDTEWMSKLYNSLGVSVAFITNDLTDEERKEAYSADIVYSTNNELAFDYLRDNMKFSREDMVQRGFNYAIVDEVDSILIDEARTPLIISGPVEENNQIYKHIDKIVTKLVDSDYEVDEKGRAVFLTEDGISQVEELLRSYNLISEKSSLYDAGNMIMTHYIDQALRAHKLFTADKDYIVKDGKVVIIDEFTGRMMEGRRYSDGLHQALEAKENLEIQYENQTLASVTFQNYFRMYNKLSGMTGTAATEAEELRDIYRLNVVKIPTNVTVKRIDVDDEIYGTEKEKFNAVLKFIKECHKRLQPVLVGTVSIENSEKLSALLRNHFLRHSVLNARYHEQEAYIIAQAGVPGNITIATNMAGRGTDIQLGGNAEMIAKVELKKIKNADEREKKYQEIIERVKRDKEIAMKAGGLCVIGTERHESRRIDDQLRGRSGRQGDPGLSKFFLSLEDDLMRIFGSDRMRSFLKRVGLKNNEAIHHPWINKALEKAQKKVEARNYDVRKSLLKFDDVINNQRKVIFEQRNHILGNEINDLFEVYSEVNKSVMESIVQGGYYEDYVEDIAKEFHIRYGITLDKKDLAKFLNKQEALDYINGKVKEFFTEKEKYFNGQQTTDLWNTIVKQVMIMTLDHLWREHLSILESLRQSIGLRAMGQKDPLNEFKREAFLIFECMLERGKELTIHRLAHFKLVDNQEVGGRLHPTRKDNLPKVSRNDKCPCNSGKKYKHCHGAVTVMN |
Consensus [pKd Mean = 6.30] | - | 1194 (s=196) | 15 (s=1) | MSFFFKRTFGSINKKIIKSFRKIVEQINALETKMQSLSDEELADKTEEFKRELKNGKTLNDLLVPAFAVVREASRRFLNMRHFDVQLIGGMVLHNGMVSEMKTGEGKTLVATLAAYLNSLEGKGVHVVTVNDYLAKRDTEWMSKLYNSLGVSVAFITNDLTDEERKEAYSADIVYSTNNELAFDYLRDNMKFSREDMVQRGFNYAIVDEVDSILIDEARTPLIISGPVEENNQIYKHIDKIVTKLVDSDYEVDEKGRAVFLTEDGISQVEELLRSYNLISEKSSLYDAGNMIMTHYIDQALRAHKLFTADKDYIVKDGKVVIIDEFTGRMMEGRRYSDGLHQALEAKENLEIQYENQTLASVTFQNYFRMYNKLSGMTGTAATEAEELRDIYRLNVVKIPTNVTVKRIDVDDEIYGTEKEKFNAVLKFIKECHKRLQPVLVGTVSIENSEKLSALLRNHFLRHSVLNARYHEQEAYIIAQAGVPGNITIATNMAGRGTDIQLGGNAEMIAKVELKKIKNADEREKKYQEIIERVKRDKEIAMKAGGLCVIGTERHESRRIDDQLRGRSGRQGDPGLSKFFLSLEDDLMRIFGSDRMRSFLKRVGLKNNEAIHHPWINKALEKAQKKVEARNYDVRKSLLKFDDVINNQRKVIFEQRNHILGNEINDLFEVYSEVNKSVMESIVQGGYYEDYVEDIAKEFHIRYGITLDKKDLAKFLNKQEALDYINGKVKEFFTEKEKYFNGQQTTDLWNTIVKQVMIMTLDHLWREHLSILESLRQSIGLRAMGQKDPLNEFKREAFLIFECMLERGKELTIHRLAHFKLVDNQEVGGRLHPTRKDNLPKVSRNDKCPCNSGKKYKHCHGAVTVMN |