Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
Complex: NAD_C_3(1LSJ) / Model_12(1LSJ/A) = [7.0]
| Download | 1832.00 | 24.71 | MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT |
Complex: NAD_D_4(1LSJ) / Model_36(1LSJ/B) = [7.7]
| Download | 1991.08 | 25.66 | MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT |
Complex: NAD_F_6(3HDH) / Model_22(3HDH/B) = [8.6]
| Download | 1917.16 | 25.62 | MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT |
Complex: NAD_A_3(3HAD) / Model_13(3HAD/A) = [8.7]
| Download | 1921.46 | 26.72 | MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT |
Complex: NAD_E_5(1M75) / Model_16(1M75/A) = [8.7]
| Download | 1737.34 | 20.50 | MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT |
Consensus [pKd Mean = 8.14] | - | 1879 (s=87) | 24 (s=2) | MLTSHGFSRAAVVGAGLMGRRIAGVLASAGLDVAITDTNAEILHAAAVEAARVAGAGRGSVAAAADLAAAIPDADLVIEAVVENLAVKQELFERLATLAPDAVLATNTSVLPIGAVTERVEDGSRVIGTHFWNPPDLIPVVEVVPSARTAPDTADRVVALLTQVGKLPVRVGRDVPGFIGNRLQHALWREAIALVAEGVCDPKTVDLVVRNTIGLRLATLGPLENADYIGLDLTLAIHDAVIPSLNHDPHPSPLLRELVAAGQLGARTGHGFLDWPAGAREATTARLAQHIAAQLQANEKGRGT |