| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: GOL_A_3(3GED) / Model_1(3GED/A) = [3.1]
| Download | 1086.69 | 5.31 | MIEPNLRGNGKVALVTGAARGIGLGISAWLIAEGWQVVLADNDRERGARVAEALGEHAWFVAMDVAQEGQVAMSVAEVLGQFGRLDGLVCNAAIANPRNTPLEALSLGEWTRTLAVNLTGPMLLAKYCTPYLRAHNGAIVNIASTRAHQSEPDSEAYAASKGGLLALTHALAASLGPDIRVNALSPGWIDTREAAEREAAPLTELDHDQHLVGRVGTVEDVASLVAWLLSEDAGFVTGQEFLVDGGMTRKMIYLD |
| Complex: THJ_A_4(3GED) / Model_122(3GED/A) = [3.2]
| Download | 410.36 | 6.00 | MIEPNLRGNGKVALVTGAARGIGLGISAWLIAEGWQVVLADNDRERGARVAEALGEHAWFVAMDVAQEGQVAMSVAEVLGQFGRLDGLVCNAAIANPRNTPLEALSLGEWTRTLAVNLTGPMLLAKYCTPYLRAHNGAIVNIASTRAHQSEPDSEAYAASKGGLLALTHALAASLGPDIRVNALSPGWIDTREAAEREAAPLTELDHDQHLVGRVGTVEDVASLVAWLLSEDAGFVTGQEFLVDGGMTRKMIYLD |
| Complex: NAD_A_3(3GEG) / Model_2(3GEG/A) = [7.8]
| Download | 1274.18 | 11.12 | MIEPNLRGNGKVALVTGAARGIGLGISAWLIAEGWQVVLADNDRERGARVAEALGEHAWFVAMDVAQEGQVAMSVAEVLGQFGRLDGLVCNAAIANPRNTPLEALSLGEWTRTLAVNLTGPMLLAKYCTPYLRAHNGAIVNIASTRAHQSEPDSEAYAASKGGLLALTHALAASLGPDIRVNALSPGWIDTREAAEREAAPLTELDHDQHLVGRVGTVEDVASLVAWLLSEDAGFVTGQEFLVDGGMTRKMIYLD |
| Complex: NAD_A_5(2CFC) / Model_132(2CFC/A) = [8.6]
| Download | 956.62 | 9.70 | MIEPNLRGNGKVALVTGAARGIGLGISAWLIAEGWQVVLADNDRERGARVAEALGEHAWFVAMDVAQEGQVAMSVAEVLGQFGRLDGLVCNAAIANPRNTPLEALSLGEWTRTLAVNLTGPMLLAKYCTPYLRAHNGAIVNIASTRAHQSEPDSEAYAASKGGLLALTHALAASLGPDIRVNALSPGWIDTREAAEREAAPLTELDHDQHLVGRVGTVEDVASLVAWLLSEDAGFVTGQEFLVDGGMTRKMIYLD |
| Complex: NAD_B_7(3GEG) / Model_21(3GEG/B) = [9.0]
| Download | 1369.49 | 13.63 | MIEPNLRGNGKVALVTGAARGIGLGISAWLIAEGWQVVLADNDRERGARVAEALGEHAWFVAMDVAQEGQVAMSVAEVLGQFGRLDGLVCNAAIANPRNTPLEALSLGEWTRTLAVNLTGPMLLAKYCTPYLRAHNGAIVNIASTRAHQSEPDSEAYAASKGGLLALTHALAASLGPDIRVNALSPGWIDTREAAEREAAPLTELDHDQHLVGRVGTVEDVASLVAWLLSEDAGFVTGQEFLVDGGMTRKMIYLD |
Consensus
[pKd Mean = 6.34] | - | 1019
(s=336) | 9
(s=3) | MIEPNLRGNGKVALVTGAARGIGLGISAWLIAEGWQVVLADNDRERGARVAEALGEHAWFVAMDVAQEGQVAMSVAEVLGQFGRLDGLVCNAAIANPRNTPLEALSLGEWTRTLAVNLTGPMLLAKYCTPYLRAHNGAIVNIASTRAHQSEPDSEAYAASKGGLLALTHALAASLGPDIRVNALSPGWIDTREAAEREAAPLTELDHDQHLVGRVGTVEDVASLVAWLLSEDAGFVTGQEFLVDGGMTRKMIYLD |