Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: ACY_C_3(1KP9) / Model_24(1KP9/B) = [3.5]
| Download | 126.23 | -1.33 | MSDNSTGTTKSRSNVDDVQAHYDLSDAFFALFQDPTRTYSCAYFERDDMTLHEAQVAKLDLTLGKLGLEPGMTLLDVGCGWGSVMKRAVERYDVNVVGLTLSKNQHAYCQQVLDKVDTNRSHRVLLSDWANFSEPVDRIVTIEAIEHFGFERYDDFFKFAYNAMPADGVMLLHSITGLHVKQVIERGIPLTMEMAKFIRFIVTDIFPGGRLPTIETIEEHVTKAGFTITDIQSLQPHFARTLDLWAEALQAHKDEAIEIQSAEVYERYMKYLTGCAKAFRMGYIDCNQFTLAK |
Complex: ACY_D_4(1KP9) / Model_2(1KP9/A) = [3.6]
| Download | 140.34 | 8.69 | MSDNSTGTTKSRSNVDDVQAHYDLSDAFFALFQDPTRTYSCAYFERDDMTLHEAQVAKLDLTLGKLGLEPGMTLLDVGCGWGSVMKRAVERYDVNVVGLTLSKNQHAYCQQVLDKVDTNRSHRVLLSDWANFSEPVDRIVTIEAIEHFGFERYDDFFKFAYNAMPADGVMLLHSITGLHVKQVIERGIPLTMEMAKFIRFIVTDIFPGGRLPTIETIEEHVTKAGFTITDIQSLQPHFARTLDLWAEALQAHKDEAIEIQSAEVYERYMKYLTGCAKAFRMGYIDCNQFTLAK |
Complex: D22_A_2(3HEM) / Model_12(3HEM/A) = [6.2]
| Download | 720.65 | 22.67 | MSDNSTGTTKSRSNVDDVQAHYDLSDAFFALFQDPTRTYSCAYFERDDMTLHEAQVAKLDLTLGKLGLEPGMTLLDVGCGWGSVMKRAVERYDVNVVGLTLSKNQHAYCQQVLDKVDTNRSHRVLLSDWANFSEPVDRIVTIEAIEHFGFERYDDFFKFAYNAMPADGVMLLHSITGLHVKQVIERGIPLTMEMAKFIRFIVTDIFPGGRLPTIETIEEHVTKAGFTITDIQSLQPHFARTLDLWAEALQAHKDEAIEIQSAEVYERYMKYLTGCAKAFRMGYIDCNQFTLAK |
Complex: D22_A_2(3HEM) / Model_62(3HEM/A) = [6.2]
| Download | 758.10 | 22.67 | MSDNSTGTTKSRSNVDDVQAHYDLSDAFFALFQDPTRTYSCAYFERDDMTLHEAQVAKLDLTLGKLGLEPGMTLLDVGCGWGSVMKRAVERYDVNVVGLTLSKNQHAYCQQVLDKVDTNRSHRVLLSDWANFSEPVDRIVTIEAIEHFGFERYDDFFKFAYNAMPADGVMLLHSITGLHVKQVIERGIPLTMEMAKFIRFIVTDIFPGGRLPTIETIEEHVTKAGFTITDIQSLQPHFARTLDLWAEALQAHKDEAIEIQSAEVYERYMKYLTGCAKAFRMGYIDCNQFTLAK |
Complex: 16A_A_13(1KPG) / Model_4(1KPG/A) = [6.4]
| Download | 616.58 | 26.08 | MSDNSTGTTKSRSNVDDVQAHYDLSDAFFALFQDPTRTYSCAYFERDDMTLHEAQVAKLDLTLGKLGLEPGMTLLDVGCGWGSVMKRAVERYDVNVVGLTLSKNQHAYCQQVLDKVDTNRSHRVLLSDWANFSEPVDRIVTIEAIEHFGFERYDDFFKFAYNAMPADGVMLLHSITGLHVKQVIERGIPLTMEMAKFIRFIVTDIFPGGRLPTIETIEEHVTKAGFTITDIQSLQPHFARTLDLWAEALQAHKDEAIEIQSAEVYERYMKYLTGCAKAFRMGYIDCNQFTLAK |
Consensus [pKd Mean = 5.18] | - | 472 (s=280) | 15 (s=10) | MSDNSTGTTKSRSNVDDVQAHYDLSDAFFALFQDPTRTYSCAYFERDDMTLHEAQVAKLDLTLGKLGLEPGMTLLDVGCGWGSVMKRAVERYDVNVVGLTLSKNQHAYCQQVLDKVDTNRSHRVLLSDWANFSEPVDRIVTIEAIEHFGFERYDDFFKFAYNAMPADGVMLLHSITGLHVKQVIERGIPLTMEMAKFIRFIVTDIFPGGRLPTIETIEEHVTKAGFTITDIQSLQPHFARTLDLWAEALQAHKDEAIEIQSAEVYERYMKYLTGCAKAFRMGYIDCNQFTLAK |