| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: MPD_A_3(2H72) / Model_64(2H72/B) = [3.1]
| Download | 240.79 | 17.50 | MSDTPYIFDVTGANFEQLVIENSFHKPVLVDFWADWCAPCKALMPLLAQIAESYQGELLLAKVNCDVEQDIVMRFGIRSLPTVVLFKDGQPVDGFAGAQPESQIRALLEPHVKAPALPDEDPLEVAQALFAEGRIGDAEATLKALLAENNENAAALILYARCLAERGELEEAQAILDAVKSDEHKQALAGARAQLTFLRQAADLPDSAELKSRLAADAGDDEAAYQLAVQQLARQQYEAALDGLLKLFLRNRGYQDDLPRKTLVQVFDLLGNDHPLVTAYRRKLYQALY |
| Complex: MPD_B_8(2TRX) / Model_52(2TRX/B) = [3.3]
| Download | 637.91 | 36.30 | MSDTPYIFDVTGANFEQLVIENSFHKPVLVDFWADWCAPCKALMPLLAQIAESYQGELLLAKVNCDVEQDIVMRFGIRSLPTVVLFKDGQPVDGFAGAQPESQIRALLEPHVKAPALPDEDPLEVAQALFAEGRIGDAEATLKALLAENNENAAALILYARCLAERGELEEAQAILDAVKSDEHKQALAGARAQLTFLRQAADLPDSAELKSRLAADAGDDEAAYQLAVQQLARQQYEAALDGLLKLFLRNRGYQDDLPRKTLVQVFDLLGNDHPLVTAYRRKLYQALY |
| Complex: MPD_A_3(2H6X) / Model_54(2H6X/A) = [3.4]
| Download | 419.90 | 40.89 | MSDTPYIFDVTGANFEQLVIENSFHKPVLVDFWADWCAPCKALMPLLAQIAESYQGELLLAKVNCDVEQDIVMRFGIRSLPTVVLFKDGQPVDGFAGAQPESQIRALLEPHVKAPALPDEDPLEVAQALFAEGRIGDAEATLKALLAENNENAAALILYARCLAERGELEEAQAILDAVKSDEHKQALAGARAQLTFLRQAADLPDSAELKSRLAADAGDDEAAYQLAVQQLARQQYEAALDGLLKLFLRNRGYQDDLPRKTLVQVFDLLGNDHPLVTAYRRKLYQALY |
| Complex: MPD_A_11(2TRX) / Model_114(2TRX/A) = [3.9]
| Download | 610.83 | 45.44 | MSDTPYIFDVTGANFEQLVIENSFHKPVLVDFWADWCAPCKALMPLLAQIAESYQGELLLAKVNCDVEQDIVMRFGIRSLPTVVLFKDGQPVDGFAGAQPESQIRALLEPHVKAPALPDEDPLEVAQALFAEGRIGDAEATLKALLAENNENAAALILYARCLAERGELEEAQAILDAVKSDEHKQALAGARAQLTFLRQAADLPDSAELKSRLAADAGDDEAAYQLAVQQLARQQYEAALDGLLKLFLRNRGYQDDLPRKTLVQVFDLLGNDHPLVTAYRRKLYQALY |
| Complex: MPD_B_6(2TRX) / Model_52(2TRX/B) = [4.0]
| Download | 461.21 | 21.00 | MSDTPYIFDVTGANFEQLVIENSFHKPVLVDFWADWCAPCKALMPLLAQIAESYQGELLLAKVNCDVEQDIVMRFGIRSLPTVVLFKDGQPVDGFAGAQPESQIRALLEPHVKAPALPDEDPLEVAQALFAEGRIGDAEATLKALLAENNENAAALILYARCLAERGELEEAQAILDAVKSDEHKQALAGARAQLTFLRQAADLPDSAELKSRLAADAGDDEAAYQLAVQQLARQQYEAALDGLLKLFLRNRGYQDDLPRKTLVQVFDLLGNDHPLVTAYRRKLYQALY |
Consensus
[pKd Mean = 3.54] | - | 474
(s=143) | 32
(s=11) | MSDTPYIFDVTGANFEQLVIENSFHKPVLVDFWADWCAPCKALMPLLAQIAESYQGELLLAKVNCDVEQDIVMRFGIRSLPTVVLFKDGQPVDGFAGAQPESQIRALLEPHVKAPALPDEDPLEVAQALFAEGRIGDAEATLKALLAENNENAAALILYARCLAERGELEEAQAILDAVKSDEHKQALAGARAQLTFLRQAADLPDSAELKSRLAADAGDDEAAYQLAVQQLARQQYEAALDGLLKLFLRNRGYQDDLPRKTLVQVFDLLGNDHPLVTAYRRKLYQALY |