| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: NAD_B_4(3L0D) / Model_46(3L0D/B) = [6.6]
| Download | 1539.84 | 13.44 | MSTPPFRVALNGYGRIGRCVLRALHERPEQLGFEIVALNDLADQASVEYLTRFDSTHGRFPGEVKVDGDCLHINGDCVKVLRSPTPEAIDWQALRVDLVLECSGQYTNRAQAERFLRAGAPRVLFSQPMASEADIDATIVYGVNQQDLSGRETLVSNASCTTNCGVPLLKLLNEAIGLEYVSITTIHSAMNDQPVIDAYHHEDLRRTRSAFQSVIPVSTGLARGIERLLPELAGRIQAKAIRVPTVNVSALDITLQTSRDTSAAEINRVLREAAESGPLRGLLAYTELPHASCDFNHDPHSAIVDGSQTRVSGPRLVNLLAWFDNEWGFANRMLDVAGHYLRAAVPDQQVPKD |
| Complex: NDP_O_12(1RM4) / Model_117(1RM4/O) = [7.9]
| Download | 1828.92 | 14.05 | MSTPPFRVALNGYGRIGRCVLRALHERPEQLGFEIVALNDLADQASVEYLTRFDSTHGRFPGEVKVDGDCLHINGDCVKVLRSPTPEAIDWQALRVDLVLECSGQYTNRAQAERFLRAGAPRVLFSQPMASEADIDATIVYGVNQQDLSGRETLVSNASCTTNCGVPLLKLLNEAIGLEYVSITTIHSAMNDQPVIDAYHHEDLRRTRSAFQSVIPVSTGLARGIERLLPELAGRIQAKAIRVPTVNVSALDITLQTSRDTSAAEINRVLREAAESGPLRGLLAYTELPHASCDFNHDPHSAIVDGSQTRVSGPRLVNLLAWFDNEWGFANRMLDVAGHYLRAAVPDQQVPKD |
| Complex: NAD_A_3(3L0D) / Model_5(3L0D/A) = [8.9]
| Download | 1849.57 | 16.92 | MSTPPFRVALNGYGRIGRCVLRALHERPEQLGFEIVALNDLADQASVEYLTRFDSTHGRFPGEVKVDGDCLHINGDCVKVLRSPTPEAIDWQALRVDLVLECSGQYTNRAQAERFLRAGAPRVLFSQPMASEADIDATIVYGVNQQDLSGRETLVSNASCTTNCGVPLLKLLNEAIGLEYVSITTIHSAMNDQPVIDAYHHEDLRRTRSAFQSVIPVSTGLARGIERLLPELAGRIQAKAIRVPTVNVSALDITLQTSRDTSAAEINRVLREAAESGPLRGLLAYTELPHASCDFNHDPHSAIVDGSQTRVSGPRLVNLLAWFDNEWGFANRMLDVAGHYLRAAVPDQQVPKD |
| Complex: NAD_E_5(1VC2) / Model_19(1VC2/A) = [9.2]
| Download | 1647.45 | 15.63 | MSTPPFRVALNGYGRIGRCVLRALHERPEQLGFEIVALNDLADQASVEYLTRFDSTHGRFPGEVKVDGDCLHINGDCVKVLRSPTPEAIDWQALRVDLVLECSGQYTNRAQAERFLRAGAPRVLFSQPMASEADIDATIVYGVNQQDLSGRETLVSNASCTTNCGVPLLKLLNEAIGLEYVSITTIHSAMNDQPVIDAYHHEDLRRTRSAFQSVIPVSTGLARGIERLLPELAGRIQAKAIRVPTVNVSALDITLQTSRDTSAAEINRVLREAAESGPLRGLLAYTELPHASCDFNHDPHSAIVDGSQTRVSGPRLVNLLAWFDNEWGFANRMLDVAGHYLRAAVPDQQVPKD |
| Complex: NAD_A_5(3ZDF) / Model_94(3ZDF/A) = [9.5]
| Download | 2044.57 | 16.54 | MSTPPFRVALNGYGRIGRCVLRALHERPEQLGFEIVALNDLADQASVEYLTRFDSTHGRFPGEVKVDGDCLHINGDCVKVLRSPTPEAIDWQALRVDLVLECSGQYTNRAQAERFLRAGAPRVLFSQPMASEADIDATIVYGVNQQDLSGRETLVSNASCTTNCGVPLLKLLNEAIGLEYVSITTIHSAMNDQPVIDAYHHEDLRRTRSAFQSVIPVSTGLARGIERLLPELAGRIQAKAIRVPTVNVSALDITLQTSRDTSAAEINRVLREAAESGPLRGLLAYTELPHASCDFNHDPHSAIVDGSQTRVSGPRLVNLLAWFDNEWGFANRMLDVAGHYLRAAVPDQQVPKD |
Consensus
[pKd Mean = 8.42] | - | 1782
(s=174) | 15
(s=1) | MSTPPFRVALNGYGRIGRCVLRALHERPEQLGFEIVALNDLADQASVEYLTRFDSTHGRFPGEVKVDGDCLHINGDCVKVLRSPTPEAIDWQALRVDLVLECSGQYTNRAQAERFLRAGAPRVLFSQPMASEADIDATIVYGVNQQDLSGRETLVSNASCTTNCGVPLLKLLNEAIGLEYVSITTIHSAMNDQPVIDAYHHEDLRRTRSAFQSVIPVSTGLARGIERLLPELAGRIQAKAIRVPTVNVSALDITLQTSRDTSAAEINRVLREAAESGPLRGLLAYTELPHASCDFNHDPHSAIVDGSQTRVSGPRLVNLLAWFDNEWGFANRMLDVAGHYLRAAVPDQQVPKD |