| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: NAD_E_5(2D1Y) / Model_59(2D1Y/A) = [5.3]
| Download | 1410.34 | 9.69 | MSQPVAFVTGCSSGIGRALADAFQRAGYRVWASARKEDDVRALAEAGFQAVQLDVNDAAALARLAEELGVEAAGLDVLVNNAGYGAMGPLLDGGVEAMRRQFETNVFAVVGVTRALFPLLRRKSGLVVNVGSVSGVLVTPFAGAYCASKAAVHALSDALRLELAPFGVEVLEVQPGAIASNFGASASREMDSVVDERSPWWPLRRQIQARAAASQDNPTSAEDFARQLLAAVQRRPRPPLVRIGNGSRALPALARWLPRGLLERLLKKRFGLDTRL |
| Complex: NAD_F_6(2D1Y) / Model_58(2D1Y/B) = [5.6]
| Download | 1608.03 | 12.05 | MSQPVAFVTGCSSGIGRALADAFQRAGYRVWASARKEDDVRALAEAGFQAVQLDVNDAAALARLAEELGVEAAGLDVLVNNAGYGAMGPLLDGGVEAMRRQFETNVFAVVGVTRALFPLLRRKSGLVVNVGSVSGVLVTPFAGAYCASKAAVHALSDALRLELAPFGVEVLEVQPGAIASNFGASASREMDSVVDERSPWWPLRRQIQARAAASQDNPTSAEDFARQLLAAVQRRPRPPLVRIGNGSRALPALARWLPRGLLERLLKKRFGLDTRL |
| Complex: NAD_G_7(2D1Y) / Model_57(2D1Y/C) = [5.9]
| Download | 1400.65 | 12.03 | MSQPVAFVTGCSSGIGRALADAFQRAGYRVWASARKEDDVRALAEAGFQAVQLDVNDAAALARLAEELGVEAAGLDVLVNNAGYGAMGPLLDGGVEAMRRQFETNVFAVVGVTRALFPLLRRKSGLVVNVGSVSGVLVTPFAGAYCASKAAVHALSDALRLELAPFGVEVLEVQPGAIASNFGASASREMDSVVDERSPWWPLRRQIQARAAASQDNPTSAEDFARQLLAAVQRRPRPPLVRIGNGSRALPALARWLPRGLLERLLKKRFGLDTRL |
| Complex: NAD_H_8(2D1Y) / Model_56(2D1Y/D) = [6.1]
| Download | 1418.34 | 12.05 | MSQPVAFVTGCSSGIGRALADAFQRAGYRVWASARKEDDVRALAEAGFQAVQLDVNDAAALARLAEELGVEAAGLDVLVNNAGYGAMGPLLDGGVEAMRRQFETNVFAVVGVTRALFPLLRRKSGLVVNVGSVSGVLVTPFAGAYCASKAAVHALSDALRLELAPFGVEVLEVQPGAIASNFGASASREMDSVVDERSPWWPLRRQIQARAAASQDNPTSAEDFARQLLAAVQRRPRPPLVRIGNGSRALPALARWLPRGLLERLLKKRFGLDTRL |
Consensus
[pKd Mean = 5.72] | - | 1459
(s=86) | 11
(s=1) | MSQPVAFVTGCSSGIGRALADAFQRAGYRVWASARKEDDVRALAEAGFQAVQLDVNDAAALARLAEELGVEAAGLDVLVNNAGYGAMGPLLDGGVEAMRRQFETNVFAVVGVTRALFPLLRRKSGLVVNVGSVSGVLVTPFAGAYCASKAAVHALSDALRLELAPFGVEVLEVQPGAIASNFGASASREMDSVVDERSPWWPLRRQIQARAAASQDNPTSAEDFARQLLAAVQRRPRPPLVRIGNGSRALPALARWLPRGLLERLLKKRFGLDTRL |