| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: BGC_B_4(3AUU) / Model_34(3AUU/B) = [3.1]
| Download | 622.09 | 19.80 | MYKDLTGKTAIVTGSSKGIGKAIAERFGKEKMNVVVNYHSDPSGADETLEIIKQNGGKAVSVEADVSKEEGIQALLDTALEHFGTLDVMVNNSGFNGVEAMPHEMSLEDWQRVIDVNVTGTFLGAKAALNHMMKNNIKGNVLNISSVHQQIPRPVNVQYSTSKGGIKMMTETLALNYADKGIRVNAIAPGTIATESNVDTKKEESRQKQLKKIPMKAFGKPEEVAAAAAWLVSEEASYVTGATLFVDGGMTLYPSQLE |
| Complex: BGC_A_3(3AUU) / Model_8(3AUU/A) = [3.4]
| Download | 745.05 | 17.76 | MYKDLTGKTAIVTGSSKGIGKAIAERFGKEKMNVVVNYHSDPSGADETLEIIKQNGGKAVSVEADVSKEEGIQALLDTALEHFGTLDVMVNNSGFNGVEAMPHEMSLEDWQRVIDVNVTGTFLGAKAALNHMMKNNIKGNVLNISSVHQQIPRPVNVQYSTSKGGIKMMTETLALNYADKGIRVNAIAPGTIATESNVDTKKEESRQKQLKKIPMKAFGKPEEVAAAAAWLVSEEASYVTGATLFVDGGMTLYPSQLE |
| Complex: 1PS_B_6(4URE) / Model_47(4URE/B) = [3.5]
| Download | 770.12 | 13.12 | MYKDLTGKTAIVTGSSKGIGKAIAERFGKEKMNVVVNYHSDPSGADETLEIIKQNGGKAVSVEADVSKEEGIQALLDTALEHFGTLDVMVNNSGFNGVEAMPHEMSLEDWQRVIDVNVTGTFLGAKAALNHMMKNNIKGNVLNISSVHQQIPRPVNVQYSTSKGGIKMMTETLALNYADKGIRVNAIAPGTIATESNVDTKKEESRQKQLKKIPMKAFGKPEEVAAAAAWLVSEEASYVTGATLFVDGGMTLYPSQLE |
| Complex: NAD_I_9(1GEE) / Model_111(1GEE/A) = [6.0]
| Download | 1308.21 | 5.50 | MYKDLTGKTAIVTGSSKGIGKAIAERFGKEKMNVVVNYHSDPSGADETLEIIKQNGGKAVSVEADVSKEEGIQALLDTALEHFGTLDVMVNNSGFNGVEAMPHEMSLEDWQRVIDVNVTGTFLGAKAALNHMMKNNIKGNVLNISSVHQQIPRPVNVQYSTSKGGIKMMTETLALNYADKGIRVNAIAPGTIATESNVDTKKEESRQKQLKKIPMKAFGKPEEVAAAAAWLVSEEASYVTGATLFVDGGMTLYPSQLE |
| Complex: NAD_A_5(2CFC) / Model_74(2CFC/A) = [6.1]
| Download | 1199.51 | 6.19 | MYKDLTGKTAIVTGSSKGIGKAIAERFGKEKMNVVVNYHSDPSGADETLEIIKQNGGKAVSVEADVSKEEGIQALLDTALEHFGTLDVMVNNSGFNGVEAMPHEMSLEDWQRVIDVNVTGTFLGAKAALNHMMKNNIKGNVLNISSVHQQIPRPVNVQYSTSKGGIKMMTETLALNYADKGIRVNAIAPGTIATESNVDTKKEESRQKQLKKIPMKAFGKPEEVAAAAAWLVSEEASYVTGATLFVDGGMTLYPSQLE |
Consensus
[pKd Mean = 4.42] | - | 928
(s=272) | 12
(s=5) | MYKDLTGKTAIVTGSSKGIGKAIAERFGKEKMNVVVNYHSDPSGADETLEIIKQNGGKAVSVEADVSKEEGIQALLDTALEHFGTLDVMVNNSGFNGVEAMPHEMSLEDWQRVIDVNVTGTFLGAKAALNHMMKNNIKGNVLNISSVHQQIPRPVNVQYSTSKGGIKMMTETLALNYADKGIRVNAIAPGTIATESNVDTKKEESRQKQLKKIPMKAFGKPEEVAAAAAWLVSEEASYVTGATLFVDGGMTLYPSQLE |