| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: ACY_B_7(1TUY) / Model_24(1TUY/B) = [3.3]
| Download | 535.70 | 3.69 | MPSRNILVINCGSSSIKFALVNEAHSLFPLHGLAERLGSRDAVLRWKRGGDSDSLMIPNADHRAALAQLLPMVQNAAGGKLHGIGHRVVHGGELFTHATRIDDRVVEAIRATAPLAPLHNPANLQGIEAAMTLFPKLPHVAVFDTAFHQSLPEHAYRYALPEALYREHGVRRYGFHGTSHRYVSHRAAEMAGLAVGDSSWLSAHLGNGSSTCAIVNGQSLDTSMGLTPLEGLVMGTRSGDVDPNLHSHLARTLGWSLERIDSMLNNESGLLGLSDLSNDMRTLEQEREQGHPGAALAIEVFCYRLAKSLAAMSCALPQLDGVIFTGGIGENSPLVRAKTAAHLRLFDLRLDQEANARCVRGVAGPIQAAGHPRVLVIPTNEERQIALDTLALLD |
| Complex: C5P_A_4(4FWR) / Model_16(4FWR/A) = [3.9]
| Download | 1162.75 | -4.67 | MPSRNILVINCGSSSIKFALVNEAHSLFPLHGLAERLGSRDAVLRWKRGGDSDSLMIPNADHRAALAQLLPMVQNAAGGKLHGIGHRVVHGGELFTHATRIDDRVVEAIRATAPLAPLHNPANLQGIEAAMTLFPKLPHVAVFDTAFHQSLPEHAYRYALPEALYREHGVRRYGFHGTSHRYVSHRAAEMAGLAVGDSSWLSAHLGNGSSTCAIVNGQSLDTSMGLTPLEGLVMGTRSGDVDPNLHSHLARTLGWSLERIDSMLNNESGLLGLSDLSNDMRTLEQEREQGHPGAALAIEVFCYRLAKSLAAMSCALPQLDGVIFTGGIGENSPLVRAKTAAHLRLFDLRLDQEANARCVRGVAGPIQAAGHPRVLVIPTNEERQIALDTLALLD |
| Complex: ADP_B_5(1TUY) / Model_24(1TUY/B) = [4.2]
| Download | 1167.71 | -4.23 | MPSRNILVINCGSSSIKFALVNEAHSLFPLHGLAERLGSRDAVLRWKRGGDSDSLMIPNADHRAALAQLLPMVQNAAGGKLHGIGHRVVHGGELFTHATRIDDRVVEAIRATAPLAPLHNPANLQGIEAAMTLFPKLPHVAVFDTAFHQSLPEHAYRYALPEALYREHGVRRYGFHGTSHRYVSHRAAEMAGLAVGDSSWLSAHLGNGSSTCAIVNGQSLDTSMGLTPLEGLVMGTRSGDVDPNLHSHLARTLGWSLERIDSMLNNESGLLGLSDLSNDMRTLEQEREQGHPGAALAIEVFCYRLAKSLAAMSCALPQLDGVIFTGGIGENSPLVRAKTAAHLRLFDLRLDQEANARCVRGVAGPIQAAGHPRVLVIPTNEERQIALDTLALLD |
| Complex: AMP_F_6(1TUU) / Model_25(1TUU/B) = [4.5]
| Download | 1380.55 | -6.33 | MPSRNILVINCGSSSIKFALVNEAHSLFPLHGLAERLGSRDAVLRWKRGGDSDSLMIPNADHRAALAQLLPMVQNAAGGKLHGIGHRVVHGGELFTHATRIDDRVVEAIRATAPLAPLHNPANLQGIEAAMTLFPKLPHVAVFDTAFHQSLPEHAYRYALPEALYREHGVRRYGFHGTSHRYVSHRAAEMAGLAVGDSSWLSAHLGNGSSTCAIVNGQSLDTSMGLTPLEGLVMGTRSGDVDPNLHSHLARTLGWSLERIDSMLNNESGLLGLSDLSNDMRTLEQEREQGHPGAALAIEVFCYRLAKSLAAMSCALPQLDGVIFTGGIGENSPLVRAKTAAHLRLFDLRLDQEANARCVRGVAGPIQAAGHPRVLVIPTNEERQIALDTLALLD |
| Complex: ADP_A_4(1TUY) / Model_19(1TUY/A) = [4.7]
| Download | 1536.43 | -6.23 | MPSRNILVINCGSSSIKFALVNEAHSLFPLHGLAERLGSRDAVLRWKRGGDSDSLMIPNADHRAALAQLLPMVQNAAGGKLHGIGHRVVHGGELFTHATRIDDRVVEAIRATAPLAPLHNPANLQGIEAAMTLFPKLPHVAVFDTAFHQSLPEHAYRYALPEALYREHGVRRYGFHGTSHRYVSHRAAEMAGLAVGDSSWLSAHLGNGSSTCAIVNGQSLDTSMGLTPLEGLVMGTRSGDVDPNLHSHLARTLGWSLERIDSMLNNESGLLGLSDLSNDMRTLEQEREQGHPGAALAIEVFCYRLAKSLAAMSCALPQLDGVIFTGGIGENSPLVRAKTAAHLRLFDLRLDQEANARCVRGVAGPIQAAGHPRVLVIPTNEERQIALDTLALLD |
Consensus
[pKd Mean = 4.12] | - | 1156
(s=340) | -3
(s=3) | MPSRNILVINCGSSSIKFALVNEAHSLFPLHGLAERLGSRDAVLRWKRGGDSDSLMIPNADHRAALAQLLPMVQNAAGGKLHGIGHRVVHGGELFTHATRIDDRVVEAIRATAPLAPLHNPANLQGIEAAMTLFPKLPHVAVFDTAFHQSLPEHAYRYALPEALYREHGVRRYGFHGTSHRYVSHRAAEMAGLAVGDSSWLSAHLGNGSSTCAIVNGQSLDTSMGLTPLEGLVMGTRSGDVDPNLHSHLARTLGWSLERIDSMLNNESGLLGLSDLSNDMRTLEQEREQGHPGAALAIEVFCYRLAKSLAAMSCALPQLDGVIFTGGIGENSPLVRAKTAAHLRLFDLRLDQEANARCVRGVAGPIQAAGHPRVLVIPTNEERQIALDTLALLD |