| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: CBD_B_10(3W78) / Model_3(3W78/A) = [4.9]
| Download | 1682.74 | 24.00 | MTNVLFIKANGLPAERSVSVALYEIFLTEYKKSHPDDNVTELDLFEADLPYYDVTMMSGLHKEAAGETLSPEEKRLADIANSYLDQFLAADKIVMAFPLWNFSIPAQFLTYLFYLNQAGKTFKYTANGPVGLVADKKIALLNARGGIYSDGPMQSFEMSLNYVKNVLAHFGISEPEMVIVEGHNAKPDQAKDIISAGAKEAVELAKIF |
| Complex: CBD_D_8(3W78) / Model_28(3W78/D) = [5.2]
| Download | 1579.12 | 26.87 | MTNVLFIKANGLPAERSVSVALYEIFLTEYKKSHPDDNVTELDLFEADLPYYDVTMMSGLHKEAAGETLSPEEKRLADIANSYLDQFLAADKIVMAFPLWNFSIPAQFLTYLFYLNQAGKTFKYTANGPVGLVADKKIALLNARGGIYSDGPMQSFEMSLNYVKNVLAHFGISEPEMVIVEGHNAKPDQAKDIISAGAKEAVELAKIF |
| Complex: CBD_C_12(3W78) / Model_29(3W78/C) = [5.9]
| Download | 1977.26 | 30.79 | MTNVLFIKANGLPAERSVSVALYEIFLTEYKKSHPDDNVTELDLFEADLPYYDVTMMSGLHKEAAGETLSPEEKRLADIANSYLDQFLAADKIVMAFPLWNFSIPAQFLTYLFYLNQAGKTFKYTANGPVGLVADKKIALLNARGGIYSDGPMQSFEMSLNYVKNVLAHFGISEPEMVIVEGHNAKPDQAKDIISAGAKEAVELAKIF |
| Complex: CBD_A_6(3W78) / Model_30(3W78/B) = [6.7]
| Download | 1528.09 | 31.15 | MTNVLFIKANGLPAERSVSVALYEIFLTEYKKSHPDDNVTELDLFEADLPYYDVTMMSGLHKEAAGETLSPEEKRLADIANSYLDQFLAADKIVMAFPLWNFSIPAQFLTYLFYLNQAGKTFKYTANGPVGLVADKKIALLNARGGIYSDGPMQSFEMSLNYVKNVLAHFGISEPEMVIVEGHNAKPDQAKDIISAGAKEAVELAKIF |
| Complex: FMN_A_3(3W77) / Model_45(3W77/A) = [7.4]
| Download | 1274.83 | 24.89 | MTNVLFIKANGLPAERSVSVALYEIFLTEYKKSHPDDNVTELDLFEADLPYYDVTMMSGLHKEAAGETLSPEEKRLADIANSYLDQFLAADKIVMAFPLWNFSIPAQFLTYLFYLNQAGKTFKYTANGPVGLVADKKIALLNARGGIYSDGPMQSFEMSLNYVKNVLAHFGISEPEMVIVEGHNAKPDQAKDIISAGAKEAVELAKIF |
Consensus
[pKd Mean = 6.02] | - | 1608
(s=228) | 27
(s=3) | MTNVLFIKANGLPAERSVSVALYEIFLTEYKKSHPDDNVTELDLFEADLPYYDVTMMSGLHKEAAGETLSPEEKRLADIANSYLDQFLAADKIVMAFPLWNFSIPAQFLTYLFYLNQAGKTFKYTANGPVGLVADKKIALLNARGGIYSDGPMQSFEMSLNYVKNVLAHFGISEPEMVIVEGHNAKPDQAKDIISAGAKEAVELAKIF |