| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: NACID_A_1(3B0U) / Model_2(3B0U/X) = [7.4]
| Download | - | - | MRPEPTNAPAALSRRFSVAPMMDWTDRHCRFFLRQLSRHTLLYTEMVTTGALLHGDRQRFLRYDECEHPLALQLGGSVPAELAACARLAEEAGYDEVNLNVGCPSDRVQHNMIGACLMGHPALVADCVKAMLDAVEIAVTVKHRIGINGRDSYAELCDFVGQVREAGCRSFTVHARIAILEGLSPKENREVPPLRYEVAAQLKKDFPDLEIVLNGGIKTLEACREHLQTFDGVMLGREAYHNPYLLAAVDSQLFGSEAPPLSRSEALLRLRPYIERHQAEGGAMHHVTRHILGLAQGFPGSRRFRQLLSVDVHKAADPLRVFDQALELLAGR |
| Complex: NACID_B_2(3B0U) / Model_21(3B0U/Y) = [8.0]
| Download | - | - | MRPEPTNAPAALSRRFSVAPMMDWTDRHCRFFLRQLSRHTLLYTEMVTTGALLHGDRQRFLRYDECEHPLALQLGGSVPAELAACARLAEEAGYDEVNLNVGCPSDRVQHNMIGACLMGHPALVADCVKAMLDAVEIAVTVKHRIGINGRDSYAELCDFVGQVREAGCRSFTVHARIAILEGLSPKENREVPPLRYEVAAQLKKDFPDLEIVLNGGIKTLEACREHLQTFDGVMLGREAYHNPYLLAAVDSQLFGSEAPPLSRSEALLRLRPYIERHQAEGGAMHHVTRHILGLAQGFPGSRRFRQLLSVDVHKAADPLRVFDQALELLAGR |
| Complex: FMN_C_5(3B0V) / Model_3(3B0V/C) = [8.3]
| Download | 832.33 | 17.15 | MRPEPTNAPAALSRRFSVAPMMDWTDRHCRFFLRQLSRHTLLYTEMVTTGALLHGDRQRFLRYDECEHPLALQLGGSVPAELAACARLAEEAGYDEVNLNVGCPSDRVQHNMIGACLMGHPALVADCVKAMLDAVEIAVTVKHRIGINGRDSYAELCDFVGQVREAGCRSFTVHARIAILEGLSPKENREVPPLRYEVAAQLKKDFPDLEIVLNGGIKTLEACREHLQTFDGVMLGREAYHNPYLLAAVDSQLFGSEAPPLSRSEALLRLRPYIERHQAEGGAMHHVTRHILGLAQGFPGSRRFRQLLSVDVHKAADPLRVFDQALELLAGR |
| Complex: FMN_X_5(3B0U) / Model_2(3B0U/X) = [8.4]
| Download | 777.85 | 21.79 | MRPEPTNAPAALSRRFSVAPMMDWTDRHCRFFLRQLSRHTLLYTEMVTTGALLHGDRQRFLRYDECEHPLALQLGGSVPAELAACARLAEEAGYDEVNLNVGCPSDRVQHNMIGACLMGHPALVADCVKAMLDAVEIAVTVKHRIGINGRDSYAELCDFVGQVREAGCRSFTVHARIAILEGLSPKENREVPPLRYEVAAQLKKDFPDLEIVLNGGIKTLEACREHLQTFDGVMLGREAYHNPYLLAAVDSQLFGSEAPPLSRSEALLRLRPYIERHQAEGGAMHHVTRHILGLAQGFPGSRRFRQLLSVDVHKAADPLRVFDQALELLAGR |
| Complex: FMN_Y_6(3B0U) / Model_21(3B0U/Y) = [9.2]
| Download | 707.79 | 19.80 | MRPEPTNAPAALSRRFSVAPMMDWTDRHCRFFLRQLSRHTLLYTEMVTTGALLHGDRQRFLRYDECEHPLALQLGGSVPAELAACARLAEEAGYDEVNLNVGCPSDRVQHNMIGACLMGHPALVADCVKAMLDAVEIAVTVKHRIGINGRDSYAELCDFVGQVREAGCRSFTVHARIAILEGLSPKENREVPPLRYEVAAQLKKDFPDLEIVLNGGIKTLEACREHLQTFDGVMLGREAYHNPYLLAAVDSQLFGSEAPPLSRSEALLRLRPYIERHQAEGGAMHHVTRHILGLAQGFPGSRRFRQLLSVDVHKAADPLRVFDQALELLAGR |
Consensus
[pKd Mean = 8.26] | - | 772
(s=50) | 19
(s=1) | MRPEPTNAPAALSRRFSVAPMMDWTDRHCRFFLRQLSRHTLLYTEMVTTGALLHGDRQRFLRYDECEHPLALQLGGSVPAELAACARLAEEAGYDEVNLNVGCPSDRVQHNMIGACLMGHPALVADCVKAMLDAVEIAVTVKHRIGINGRDSYAELCDFVGQVREAGCRSFTVHARIAILEGLSPKENREVPPLRYEVAAQLKKDFPDLEIVLNGGIKTLEACREHLQTFDGVMLGREAYHNPYLLAAVDSQLFGSEAPPLSRSEALLRLRPYIERHQAEGGAMHHVTRHILGLAQGFPGSRRFRQLLSVDVHKAADPLRVFDQALELLAGR |