| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: NAD_A_2(3B1F) / Model_23(3B1F/A) = [8.0]
| Download | 1979.70 | 28.86 | MTTVLFVGLGLIGGSLASNIKYHNPNTNIIAYDADTSQLDKAKSIGIINEKCLNYSEAIKKADVIIYATPVAITNKYLSELIDMPTKPGVIVSDTGSTKAMIQQHESNLLKHNIHLVSGHPMAGSHKSGVLNAKKHLFENAYYILVYNEPRNEQAANTLKELLSPTLAKFIVTTAEEHDYVTSVVSHLPHIVASSLVHVSQKNGQEHHLVNKLAAGGFRDITRIASSNAQMWKDITLSNKTYILEMIRQLKSQFQDLERLIESNDSEKLLSFFAQAKSYRDALPAKQLGGLNTAYDLYVDIPDESGMISKVTYIMSLHNISISNLRILEVREDIYGALKISFKNPTDRERGMQALSDFDCYIQ |
| Complex: NAD_A_2(3B1F) / Model_2(3B1F/A) = [8.0]
| Download | 1662.54 | 31.56 | MTTVLFVGLGLIGGSLASNIKYHNPNTNIIAYDADTSQLDKAKSIGIINEKCLNYSEAIKKADVIIYATPVAITNKYLSELIDMPTKPGVIVSDTGSTKAMIQQHESNLLKHNIHLVSGHPMAGSHKSGVLNAKKHLFENAYYILVYNEPRNEQAANTLKELLSPTLAKFIVTTAEEHDYVTSVVSHLPHIVASSLVHVSQKNGQEHHLVNKLAAGGFRDITRIASSNAQMWKDITLSNKTYILEMIRQLKSQFQDLERLIESNDSEKLLSFFAQAKSYRDALPAKQLGGLNTAYDLYVDIPDESGMISKVTYIMSLHNISISNLRILEVREDIYGALKISFKNPTDRERGMQALSDFDCYIQ |
| Complex: NAD_A_5(3GGP) / Model_6(3GGP/A) = [9.1]
| Download | 1662.81 | 27.25 | MTTVLFVGLGLIGGSLASNIKYHNPNTNIIAYDADTSQLDKAKSIGIINEKCLNYSEAIKKADVIIYATPVAITNKYLSELIDMPTKPGVIVSDTGSTKAMIQQHESNLLKHNIHLVSGHPMAGSHKSGVLNAKKHLFENAYYILVYNEPRNEQAANTLKELLSPTLAKFIVTTAEEHDYVTSVVSHLPHIVASSLVHVSQKNGQEHHLVNKLAAGGFRDITRIASSNAQMWKDITLSNKTYILEMIRQLKSQFQDLERLIESNDSEKLLSFFAQAKSYRDALPAKQLGGLNTAYDLYVDIPDESGMISKVTYIMSLHNISISNLRILEVREDIYGALKISFKNPTDRERGMQALSDFDCYIQ |
| Complex: NAI_A_5(3GGO) / Model_5(3GGO/A) = [9.5]
| Download | 1490.83 | 28.42 | MTTVLFVGLGLIGGSLASNIKYHNPNTNIIAYDADTSQLDKAKSIGIINEKCLNYSEAIKKADVIIYATPVAITNKYLSELIDMPTKPGVIVSDTGSTKAMIQQHESNLLKHNIHLVSGHPMAGSHKSGVLNAKKHLFENAYYILVYNEPRNEQAANTLKELLSPTLAKFIVTTAEEHDYVTSVVSHLPHIVASSLVHVSQKNGQEHHLVNKLAAGGFRDITRIASSNAQMWKDITLSNKTYILEMIRQLKSQFQDLERLIESNDSEKLLSFFAQAKSYRDALPAKQLGGLNTAYDLYVDIPDESGMISKVTYIMSLHNISISNLRILEVREDIYGALKISFKNPTDRERGMQALSDFDCYIQ |
Consensus
[pKd Mean = 8.65] | - | 1698
(s=176) | 29
(s=1) | MTTVLFVGLGLIGGSLASNIKYHNPNTNIIAYDADTSQLDKAKSIGIINEKCLNYSEAIKKADVIIYATPVAITNKYLSELIDMPTKPGVIVSDTGSTKAMIQQHESNLLKHNIHLVSGHPMAGSHKSGVLNAKKHLFENAYYILVYNEPRNEQAANTLKELLSPTLAKFIVTTAEEHDYVTSVVSHLPHIVASSLVHVSQKNGQEHHLVNKLAAGGFRDITRIASSNAQMWKDITLSNKTYILEMIRQLKSQFQDLERLIESNDSEKLLSFFAQAKSYRDALPAKQLGGLNTAYDLYVDIPDESGMISKVTYIMSLHNISISNLRILEVREDIYGALKISFKNPTDRERGMQALSDFDCYIQ |