| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: NHE_E_5(2CUK) / Model_56(2CUK/C) = [3.4]
| Download | 545.01 | 7.42 | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKAIGLKTFLEERGHEFIILADNGEDLDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTLQHYDPINQQDHKLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIASKSYTAK |
| Complex: NAD_C_3(1WWK) / Model_19(1WWK/A) = [6.9]
| Download | 1263.30 | 24.00 | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKAIGLKTFLEERGHEFIILADNGEDLDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTLQHYDPINQQDHKLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIASKSYTAK |
| Complex: NAD_D_4(1WWK) / Model_46(1WWK/B) = [8.0]
| Download | 1353.78 | 20.24 | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKAIGLKTFLEERGHEFIILADNGEDLDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTLQHYDPINQQDHKLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIASKSYTAK |
| Complex: NAD_A_3(2GSD) / Model_8(2GSD/A) = [9.3]
| Download | 1624.89 | 10.00 | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKAIGLKTFLEERGHEFIILADNGEDLDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTLQHYDPINQQDHKLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIASKSYTAK |
| Complex: NAD_A_6(2NAD) / Model_3(2NAD/A) = [9.5]
| Download | 1595.22 | 13.43 | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKAIGLKTFLEERGHEFIILADNGEDLDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTLQHYDPINQQDHKLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIASKSYTAK |
Consensus
[pKd Mean = 7.42] | - | 1276
(s=390) | 15
(s=6) | MSNGAVFFVIFLKQATCNTYFKEVKIYHLGEMDMKIVALFPEAVEGQENQLLNTKKAIGLKTFLEERGHEFIILADNGEDLDKHLPDMDVIISAPFYPAYMTRERIEKAPNLKLAITAGVGSDHVDLAAASEHNIGVVEVTGSNTVSVAEHAVMDLLILLRNYEEGHRQSVEGEWNLSQVGNHAHELQHKTIGIFGFGRIGQLVAERLAPFNVTLQHYDPINQQDHKLSKFVSFDELVSSSDAITIHAPLTPETDNLFDKDVLSRMKKHSYLVNTARGKIVNRDALVEALASEHLQGYAGDVWYPQPAPADHPWRTMPRNAMTVHYSGMTLEAQKRIEDGVKDILERFFNHEPFQDKDIIVASGRIASKSYTAK |