Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: DAU_D_4(1KEU) / Model_24(1KEU/B) = [8.9]
| Download | 912.69 | 12.86 | MNLLVTGGAGFIGSNFVHHILNKHDDYKVVNLDLLTYAGTMSNLEDIKENPNHVFVEGNICDYDLVKKLVTDHKIDTIVNFAAESHVDRSIINPGIFIETNVQGTLNLLNVAKELNVAKYLQVSTDEVYGSLGETGYFTEETPIAPNSPYSASKASADLLVRSYFETYGLNVNITRCSNNYGPHHFPEKLIPLMITNGLDGENLPIYGDGKNIRDWLHVSDHCAAIDLVIHNGKSGEVYNVGGHNERTNNEIVHIIVDDLNLSKDKIVYVEDRLGHDLRYAIDPKKIETELGWEPKYTFDTGIKETIEWYVNNEAWWRPLKSRAKLGE |
Complex: NAD_C_3(2HUN) / Model_2(2HUN/A) = [9.0]
| Download | 1219.06 | 12.63 | MNLLVTGGAGFIGSNFVHHILNKHDDYKVVNLDLLTYAGTMSNLEDIKENPNHVFVEGNICDYDLVKKLVTDHKIDTIVNFAAESHVDRSIINPGIFIETNVQGTLNLLNVAKELNVAKYLQVSTDEVYGSLGETGYFTEETPIAPNSPYSASKASADLLVRSYFETYGLNVNITRCSNNYGPHHFPEKLIPLMITNGLDGENLPIYGDGKNIRDWLHVSDHCAAIDLVIHNGKSGEVYNVGGHNERTNNEIVHIIVDDLNLSKDKIVYVEDRLGHDLRYAIDPKKIETELGWEPKYTFDTGIKETIEWYVNNEAWWRPLKSRAKLGE |
Complex: NAD_C_3(2HUN) / Model_48(2HUN/A) = [9.0]
| Download | 1188.64 | 12.63 | MNLLVTGGAGFIGSNFVHHILNKHDDYKVVNLDLLTYAGTMSNLEDIKENPNHVFVEGNICDYDLVKKLVTDHKIDTIVNFAAESHVDRSIINPGIFIETNVQGTLNLLNVAKELNVAKYLQVSTDEVYGSLGETGYFTEETPIAPNSPYSASKASADLLVRSYFETYGLNVNITRCSNNYGPHHFPEKLIPLMITNGLDGENLPIYGDGKNIRDWLHVSDHCAAIDLVIHNGKSGEVYNVGGHNERTNNEIVHIIVDDLNLSKDKIVYVEDRLGHDLRYAIDPKKIETELGWEPKYTFDTGIKETIEWYVNNEAWWRPLKSRAKLGE |
Complex: DAU_C_3(1KEU) / Model_7(1KEU/A) = [9.2]
| Download | 936.49 | 13.91 | MNLLVTGGAGFIGSNFVHHILNKHDDYKVVNLDLLTYAGTMSNLEDIKENPNHVFVEGNICDYDLVKKLVTDHKIDTIVNFAAESHVDRSIINPGIFIETNVQGTLNLLNVAKELNVAKYLQVSTDEVYGSLGETGYFTEETPIAPNSPYSASKASADLLVRSYFETYGLNVNITRCSNNYGPHHFPEKLIPLMITNGLDGENLPIYGDGKNIRDWLHVSDHCAAIDLVIHNGKSGEVYNVGGHNERTNNEIVHIIVDDLNLSKDKIVYVEDRLGHDLRYAIDPKKIETELGWEPKYTFDTGIKETIEWYVNNEAWWRPLKSRAKLGE |
Complex: NAD_B_8(1OC2) / Model_28(1OC2/B) = [9.6]
| Download | 1048.37 | 9.27 | MNLLVTGGAGFIGSNFVHHILNKHDDYKVVNLDLLTYAGTMSNLEDIKENPNHVFVEGNICDYDLVKKLVTDHKIDTIVNFAAESHVDRSIINPGIFIETNVQGTLNLLNVAKELNVAKYLQVSTDEVYGSLGETGYFTEETPIAPNSPYSASKASADLLVRSYFETYGLNVNITRCSNNYGPHHFPEKLIPLMITNGLDGENLPIYGDGKNIRDWLHVSDHCAAIDLVIHNGKSGEVYNVGGHNERTNNEIVHIIVDDLNLSKDKIVYVEDRLGHDLRYAIDPKKIETELGWEPKYTFDTGIKETIEWYVNNEAWWRPLKSRAKLGE |
Consensus [pKd Mean = 9.14] | - | 1061 (s=125) | 12 (s=1) | MNLLVTGGAGFIGSNFVHHILNKHDDYKVVNLDLLTYAGTMSNLEDIKENPNHVFVEGNICDYDLVKKLVTDHKIDTIVNFAAESHVDRSIINPGIFIETNVQGTLNLLNVAKELNVAKYLQVSTDEVYGSLGETGYFTEETPIAPNSPYSASKASADLLVRSYFETYGLNVNITRCSNNYGPHHFPEKLIPLMITNGLDGENLPIYGDGKNIRDWLHVSDHCAAIDLVIHNGKSGEVYNVGGHNERTNNEIVHIIVDDLNLSKDKIVYVEDRLGHDLRYAIDPKKIETELGWEPKYTFDTGIKETIEWYVNNEAWWRPLKSRAKLGE |