| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: CIT_A_5(2FUS) / Model_7(2FUS/A) = [3.5]
| Download | 601.89 | 25.29 | MQFRIEHDTMGEIKVDDSQYWGAQTQRSLENFKIGTEKMPKELIGAFAKLKRSLAVVNHKLGKLSLEKSQAIIKACDCILKGELCGEFPLAIWQTGSGTQTNMNLNEVIANKATEILGGNFREKKLIHPNDDVNMSQSSNDTFPTAMHVVSVLEITHKLLPSLENLLKTFKEKSQQFKEIVKIGRTHLQDATPLTLGQEFSGYASMLEHSKQQILESLEHLRELAIGGTAVGTGLNAHKELSEKVAEELSQFSGVKFISAPNKFHALTSHDAIAYAHGAFKALAANLMKIANDIRWLASGPRCGLGELNIPENEPGSSIMPGKVNPTQCEAMTMVAVQVMGNDTAIGIAASQGNFELNVFKPVIIYNFLQSLRLLSDSMESFNIHCASGIEPNKEKIDYYLHHSLMLVTALNPHVGYENAAKIAKNAHKKGISLKESALELKLLSAEDFDQFVVPEKMIGPKA |
| Complex: CIT_I_9(1KQ7) / Model_5(1KQ7/A) = [3.5]
| Download | 604.27 | 38.24 | MQFRIEHDTMGEIKVDDSQYWGAQTQRSLENFKIGTEKMPKELIGAFAKLKRSLAVVNHKLGKLSLEKSQAIIKACDCILKGELCGEFPLAIWQTGSGTQTNMNLNEVIANKATEILGGNFREKKLIHPNDDVNMSQSSNDTFPTAMHVVSVLEITHKLLPSLENLLKTFKEKSQQFKEIVKIGRTHLQDATPLTLGQEFSGYASMLEHSKQQILESLEHLRELAIGGTAVGTGLNAHKELSEKVAEELSQFSGVKFISAPNKFHALTSHDAIAYAHGAFKALAANLMKIANDIRWLASGPRCGLGELNIPENEPGSSIMPGKVNPTQCEAMTMVAVQVMGNDTAIGIAASQGNFELNVFKPVIIYNFLQSLRLLSDSMESFNIHCASGIEPNKEKIDYYLHHSLMLVTALNPHVGYENAAKIAKNAHKKGISLKESALELKLLSAEDFDQFVVPEKMIGPKA |
| Complex: CIT_A_9(1FUO) / Model_1(1FUO/A) = [3.6]
| Download | 533.67 | 38.40 | MQFRIEHDTMGEIKVDDSQYWGAQTQRSLENFKIGTEKMPKELIGAFAKLKRSLAVVNHKLGKLSLEKSQAIIKACDCILKGELCGEFPLAIWQTGSGTQTNMNLNEVIANKATEILGGNFREKKLIHPNDDVNMSQSSNDTFPTAMHVVSVLEITHKLLPSLENLLKTFKEKSQQFKEIVKIGRTHLQDATPLTLGQEFSGYASMLEHSKQQILESLEHLRELAIGGTAVGTGLNAHKELSEKVAEELSQFSGVKFISAPNKFHALTSHDAIAYAHGAFKALAANLMKIANDIRWLASGPRCGLGELNIPENEPGSSIMPGKVNPTQCEAMTMVAVQVMGNDTAIGIAASQGNFELNVFKPVIIYNFLQSLRLLSDSMESFNIHCASGIEPNKEKIDYYLHHSLMLVTALNPHVGYENAAKIAKNAHKKGISLKESALELKLLSAEDFDQFVVPEKMIGPKA |
| Complex: CIT_B_11(1FUO) / Model_21(1FUO/B) = [3.6]
| Download | 450.47 | 30.20 | MQFRIEHDTMGEIKVDDSQYWGAQTQRSLENFKIGTEKMPKELIGAFAKLKRSLAVVNHKLGKLSLEKSQAIIKACDCILKGELCGEFPLAIWQTGSGTQTNMNLNEVIANKATEILGGNFREKKLIHPNDDVNMSQSSNDTFPTAMHVVSVLEITHKLLPSLENLLKTFKEKSQQFKEIVKIGRTHLQDATPLTLGQEFSGYASMLEHSKQQILESLEHLRELAIGGTAVGTGLNAHKELSEKVAEELSQFSGVKFISAPNKFHALTSHDAIAYAHGAFKALAANLMKIANDIRWLASGPRCGLGELNIPENEPGSSIMPGKVNPTQCEAMTMVAVQVMGNDTAIGIAASQGNFELNVFKPVIIYNFLQSLRLLSDSMESFNIHCASGIEPNKEKIDYYLHHSLMLVTALNPHVGYENAAKIAKNAHKKGISLKESALELKLLSAEDFDQFVVPEKMIGPKA |
| Complex: CIT_A_4(1FUQ) / Model_4(1FUQ/A) = [3.6]
| Download | 397.16 | 34.56 | MQFRIEHDTMGEIKVDDSQYWGAQTQRSLENFKIGTEKMPKELIGAFAKLKRSLAVVNHKLGKLSLEKSQAIIKACDCILKGELCGEFPLAIWQTGSGTQTNMNLNEVIANKATEILGGNFREKKLIHPNDDVNMSQSSNDTFPTAMHVVSVLEITHKLLPSLENLLKTFKEKSQQFKEIVKIGRTHLQDATPLTLGQEFSGYASMLEHSKQQILESLEHLRELAIGGTAVGTGLNAHKELSEKVAEELSQFSGVKFISAPNKFHALTSHDAIAYAHGAFKALAANLMKIANDIRWLASGPRCGLGELNIPENEPGSSIMPGKVNPTQCEAMTMVAVQVMGNDTAIGIAASQGNFELNVFKPVIIYNFLQSLRLLSDSMESFNIHCASGIEPNKEKIDYYLHHSLMLVTALNPHVGYENAAKIAKNAHKKGISLKESALELKLLSAEDFDQFVVPEKMIGPKA |
Consensus
[pKd Mean = 3.56] | - | 517
(s=82) | 33
(s=5) | MQFRIEHDTMGEIKVDDSQYWGAQTQRSLENFKIGTEKMPKELIGAFAKLKRSLAVVNHKLGKLSLEKSQAIIKACDCILKGELCGEFPLAIWQTGSGTQTNMNLNEVIANKATEILGGNFREKKLIHPNDDVNMSQSSNDTFPTAMHVVSVLEITHKLLPSLENLLKTFKEKSQQFKEIVKIGRTHLQDATPLTLGQEFSGYASMLEHSKQQILESLEHLRELAIGGTAVGTGLNAHKELSEKVAEELSQFSGVKFISAPNKFHALTSHDAIAYAHGAFKALAANLMKIANDIRWLASGPRCGLGELNIPENEPGSSIMPGKVNPTQCEAMTMVAVQVMGNDTAIGIAASQGNFELNVFKPVIIYNFLQSLRLLSDSMESFNIHCASGIEPNKEKIDYYLHHSLMLVTALNPHVGYENAAKIAKNAHKKGISLKESALELKLLSAEDFDQFVVPEKMIGPKA |