| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: ADP_E_10(2R65) / Model_41(2R65/E) = [4.8]
| Download | 1084.40 | 20.97 | MNRFFRNAIFYVIIFLVIIGIVASFNSNKEAAKDISYSEFVSKLEDGKVKSVEIQPDRSVYTINGEFKSSDKSSDDKKTGLGQSKTSSTAFTTYALNSDTSLGDLQKTLDKEDVKMNVVPAKQNSGWVTFLTSIVPFVIIFILFFFLMSQSQGGGGGKVMSFGKSKAKLYNDDKKKVRFTDVAGADEEKQELVEVVEFLKDPRKFAELGARIPKGVLLVGPPGTGKTLLARAVAGEAGVPFFSISGSDFVEMFVGVGASRVRDLFENAKKNAPCIIFIDEIDAVGRQRGAGMGGGHDEREQTLNQLLVEMDGFGGNEGIIIIAATNRADVLDPALLRPGRFDRQIMVDRPDVKGREAVLRVHARNKPLAKSVDLKAIAQRTPGFSGADLENLLNEAALVAARSDKKEIDMSDLDEASDRVIAGPAKKNRVISEKERRTVAYHEGGHVIVGMVLDEAEVVHKVTIVPRGQAGGYAVMLPKEDRFLMTKAELMDRITGLLGGRVAEEVTFGEVTTGASNDFERATELARRMVTEWGMSDKIGPLQFTSGNGQVFMGRDFGSDKGYSDKIAYEIDTEVQSLIRYCYDRAKTIITEHQEQHKLIAETLLKVETLDARQIRSLFDDGVMPPDIDTIDVEAEYPSEKDEEVAGKSFEEEREELKEEEKVEETQEEPKEVTSEDAPNIEQTPNDKKDE |
| Complex: ANP_B_2(1IY0) / Model_11(1IY0/A) = [5.2]
| Download | 1783.09 | 19.57 | MNRFFRNAIFYVIIFLVIIGIVASFNSNKEAAKDISYSEFVSKLEDGKVKSVEIQPDRSVYTINGEFKSSDKSSDDKKTGLGQSKTSSTAFTTYALNSDTSLGDLQKTLDKEDVKMNVVPAKQNSGWVTFLTSIVPFVIIFILFFFLMSQSQGGGGGKVMSFGKSKAKLYNDDKKKVRFTDVAGADEEKQELVEVVEFLKDPRKFAELGARIPKGVLLVGPPGTGKTLLARAVAGEAGVPFFSISGSDFVEMFVGVGASRVRDLFENAKKNAPCIIFIDEIDAVGRQRGAGMGGGHDEREQTLNQLLVEMDGFGGNEGIIIIAATNRADVLDPALLRPGRFDRQIMVDRPDVKGREAVLRVHARNKPLAKSVDLKAIAQRTPGFSGADLENLLNEAALVAARSDKKEIDMSDLDEASDRVIAGPAKKNRVISEKERRTVAYHEGGHVIVGMVLDEAEVVHKVTIVPRGQAGGYAVMLPKEDRFLMTKAELMDRITGLLGGRVAEEVTFGEVTTGASNDFERATELARRMVTEWGMSDKIGPLQFTSGNGQVFMGRDFGSDKGYSDKIAYEIDTEVQSLIRYCYDRAKTIITEHQEQHKLIAETLLKVETLDARQIRSLFDDGVMPPDIDTIDVEAEYPSEKDEEVAGKSFEEEREELKEEEKVEETQEEPKEVTSEDAPNIEQTPNDKKDE |
| Complex: ADP_D_9(2R65) / Model_42(2R65/D) = [5.5]
| Download | 1092.36 | 19.04 | MNRFFRNAIFYVIIFLVIIGIVASFNSNKEAAKDISYSEFVSKLEDGKVKSVEIQPDRSVYTINGEFKSSDKSSDDKKTGLGQSKTSSTAFTTYALNSDTSLGDLQKTLDKEDVKMNVVPAKQNSGWVTFLTSIVPFVIIFILFFFLMSQSQGGGGGKVMSFGKSKAKLYNDDKKKVRFTDVAGADEEKQELVEVVEFLKDPRKFAELGARIPKGVLLVGPPGTGKTLLARAVAGEAGVPFFSISGSDFVEMFVGVGASRVRDLFENAKKNAPCIIFIDEIDAVGRQRGAGMGGGHDEREQTLNQLLVEMDGFGGNEGIIIIAATNRADVLDPALLRPGRFDRQIMVDRPDVKGREAVLRVHARNKPLAKSVDLKAIAQRTPGFSGADLENLLNEAALVAARSDKKEIDMSDLDEASDRVIAGPAKKNRVISEKERRTVAYHEGGHVIVGMVLDEAEVVHKVTIVPRGQAGGYAVMLPKEDRFLMTKAELMDRITGLLGGRVAEEVTFGEVTTGASNDFERATELARRMVTEWGMSDKIGPLQFTSGNGQVFMGRDFGSDKGYSDKIAYEIDTEVQSLIRYCYDRAKTIITEHQEQHKLIAETLLKVETLDARQIRSLFDDGVMPPDIDTIDVEAEYPSEKDEEVAGKSFEEEREELKEEEKVEETQEEPKEVTSEDAPNIEQTPNDKKDE |
| Complex: ADP_B_2(1IY1) / Model_12(1IY1/A) = [5.5]
| Download | 1070.57 | 19.65 | MNRFFRNAIFYVIIFLVIIGIVASFNSNKEAAKDISYSEFVSKLEDGKVKSVEIQPDRSVYTINGEFKSSDKSSDDKKTGLGQSKTSSTAFTTYALNSDTSLGDLQKTLDKEDVKMNVVPAKQNSGWVTFLTSIVPFVIIFILFFFLMSQSQGGGGGKVMSFGKSKAKLYNDDKKKVRFTDVAGADEEKQELVEVVEFLKDPRKFAELGARIPKGVLLVGPPGTGKTLLARAVAGEAGVPFFSISGSDFVEMFVGVGASRVRDLFENAKKNAPCIIFIDEIDAVGRQRGAGMGGGHDEREQTLNQLLVEMDGFGGNEGIIIIAATNRADVLDPALLRPGRFDRQIMVDRPDVKGREAVLRVHARNKPLAKSVDLKAIAQRTPGFSGADLENLLNEAALVAARSDKKEIDMSDLDEASDRVIAGPAKKNRVISEKERRTVAYHEGGHVIVGMVLDEAEVVHKVTIVPRGQAGGYAVMLPKEDRFLMTKAELMDRITGLLGGRVAEEVTFGEVTTGASNDFERATELARRMVTEWGMSDKIGPLQFTSGNGQVFMGRDFGSDKGYSDKIAYEIDTEVQSLIRYCYDRAKTIITEHQEQHKLIAETLLKVETLDARQIRSLFDDGVMPPDIDTIDVEAEYPSEKDEEVAGKSFEEEREELKEEEKVEETQEEPKEVTSEDAPNIEQTPNDKKDE |
| Complex: ADP_B_7(2R65) / Model_44(2R65/B) = [5.7]
| Download | 939.25 | 20.16 | MNRFFRNAIFYVIIFLVIIGIVASFNSNKEAAKDISYSEFVSKLEDGKVKSVEIQPDRSVYTINGEFKSSDKSSDDKKTGLGQSKTSSTAFTTYALNSDTSLGDLQKTLDKEDVKMNVVPAKQNSGWVTFLTSIVPFVIIFILFFFLMSQSQGGGGGKVMSFGKSKAKLYNDDKKKVRFTDVAGADEEKQELVEVVEFLKDPRKFAELGARIPKGVLLVGPPGTGKTLLARAVAGEAGVPFFSISGSDFVEMFVGVGASRVRDLFENAKKNAPCIIFIDEIDAVGRQRGAGMGGGHDEREQTLNQLLVEMDGFGGNEGIIIIAATNRADVLDPALLRPGRFDRQIMVDRPDVKGREAVLRVHARNKPLAKSVDLKAIAQRTPGFSGADLENLLNEAALVAARSDKKEIDMSDLDEASDRVIAGPAKKNRVISEKERRTVAYHEGGHVIVGMVLDEAEVVHKVTIVPRGQAGGYAVMLPKEDRFLMTKAELMDRITGLLGGRVAEEVTFGEVTTGASNDFERATELARRMVTEWGMSDKIGPLQFTSGNGQVFMGRDFGSDKGYSDKIAYEIDTEVQSLIRYCYDRAKTIITEHQEQHKLIAETLLKVETLDARQIRSLFDDGVMPPDIDTIDVEAEYPSEKDEEVAGKSFEEEREELKEEEKVEETQEEPKEVTSEDAPNIEQTPNDKKDE |
Consensus
[pKd Mean = 5.34] | - | 1193
(s=299) | 19
(s=1) | MNRFFRNAIFYVIIFLVIIGIVASFNSNKEAAKDISYSEFVSKLEDGKVKSVEIQPDRSVYTINGEFKSSDKSSDDKKTGLGQSKTSSTAFTTYALNSDTSLGDLQKTLDKEDVKMNVVPAKQNSGWVTFLTSIVPFVIIFILFFFLMSQSQGGGGGKVMSFGKSKAKLYNDDKKKVRFTDVAGADEEKQELVEVVEFLKDPRKFAELGARIPKGVLLVGPPGTGKTLLARAVAGEAGVPFFSISGSDFVEMFVGVGASRVRDLFENAKKNAPCIIFIDEIDAVGRQRGAGMGGGHDEREQTLNQLLVEMDGFGGNEGIIIIAATNRADVLDPALLRPGRFDRQIMVDRPDVKGREAVLRVHARNKPLAKSVDLKAIAQRTPGFSGADLENLLNEAALVAARSDKKEIDMSDLDEASDRVIAGPAKKNRVISEKERRTVAYHEGGHVIVGMVLDEAEVVHKVTIVPRGQAGGYAVMLPKEDRFLMTKAELMDRITGLLGGRVAEEVTFGEVTTGASNDFERATELARRMVTEWGMSDKIGPLQFTSGNGQVFMGRDFGSDKGYSDKIAYEIDTEVQSLIRYCYDRAKTIITEHQEQHKLIAETLLKVETLDARQIRSLFDDGVMPPDIDTIDVEAEYPSEKDEEVAGKSFEEEREELKEEEKVEETQEEPKEVTSEDAPNIEQTPNDKKDE |