| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: CIT_A_2(3R7T) / Model_45(3R7T/A) = [3.3]
| Download | 931.89 | 1.33 | MSSIVVVGTQWGDEGKGKITDFLAEQSDVIARFSGGNNAGHTIQFGGETYKLHLVPSGIFYKDKLAVIGNGVVVDPVALLKELDGLNERGIPTSNLRISNRAQVILPYHLAQDEYEERLRGDNKIGTTKKGIGPAYVDKVQRIGIRMADLLEKETFERLLKSNIEYKQAYFKGMFNETCPSFDDIFEEYYAAGQRLKEFVTDTSKILDDAFVADEKVLFEGAQGVMLDIDHGTYPFVTSSNPIAGNVTVGTGVGPTFVSKVIGVCKAYTSRVGDGPFPTELFDEDGHHIREVGREYGTTTGRPRRVGWFDSVVLRHSRRVSGITDLSINSIDVLTGLDTVKICTAYELDGKEITEYPANLDQLKRCKPIFEELPGWTEDVTSVRTLEELPENARKYLERISELCNVQISIFSVGPDREQTNLLKELW |
| Complex: HAD_C_3(1KKB) / Model_14(1KKB/A) = [3.8]
| Download | 297.76 | 13.00 | MSSIVVVGTQWGDEGKGKITDFLAEQSDVIARFSGGNNAGHTIQFGGETYKLHLVPSGIFYKDKLAVIGNGVVVDPVALLKELDGLNERGIPTSNLRISNRAQVILPYHLAQDEYEERLRGDNKIGTTKKGIGPAYVDKVQRIGIRMADLLEKETFERLLKSNIEYKQAYFKGMFNETCPSFDDIFEEYYAAGQRLKEFVTDTSKILDDAFVADEKVLFEGAQGVMLDIDHGTYPFVTSSNPIAGNVTVGTGVGPTFVSKVIGVCKAYTSRVGDGPFPTELFDEDGHHIREVGREYGTTTGRPRRVGWFDSVVLRHSRRVSGITDLSINSIDVLTGLDTVKICTAYELDGKEITEYPANLDQLKRCKPIFEELPGWTEDVTSVRTLEELPENARKYLERISELCNVQISIFSVGPDREQTNLLKELW |
| Complex: DPO_A_3(1KKF) / Model_15(1KKF/A) = [4.9]
| Download | 378.15 | 7.50 | MSSIVVVGTQWGDEGKGKITDFLAEQSDVIARFSGGNNAGHTIQFGGETYKLHLVPSGIFYKDKLAVIGNGVVVDPVALLKELDGLNERGIPTSNLRISNRAQVILPYHLAQDEYEERLRGDNKIGTTKKGIGPAYVDKVQRIGIRMADLLEKETFERLLKSNIEYKQAYFKGMFNETCPSFDDIFEEYYAAGQRLKEFVTDTSKILDDAFVADEKVLFEGAQGVMLDIDHGTYPFVTSSNPIAGNVTVGTGVGPTFVSKVIGVCKAYTSRVGDGPFPTELFDEDGHHIREVGREYGTTTGRPRRVGWFDSVVLRHSRRVSGITDLSINSIDVLTGLDTVKICTAYELDGKEITEYPANLDQLKRCKPIFEELPGWTEDVTSVRTLEELPENARKYLERISELCNVQISIFSVGPDREQTNLLKELW |
| Complex: H5P_A_6(1SOO) / Model_10(1SOO/A) = [5.2]
| Download | 629.41 | 9.19 | MSSIVVVGTQWGDEGKGKITDFLAEQSDVIARFSGGNNAGHTIQFGGETYKLHLVPSGIFYKDKLAVIGNGVVVDPVALLKELDGLNERGIPTSNLRISNRAQVILPYHLAQDEYEERLRGDNKIGTTKKGIGPAYVDKVQRIGIRMADLLEKETFERLLKSNIEYKQAYFKGMFNETCPSFDDIFEEYYAAGQRLKEFVTDTSKILDDAFVADEKVLFEGAQGVMLDIDHGTYPFVTSSNPIAGNVTVGTGVGPTFVSKVIGVCKAYTSRVGDGPFPTELFDEDGHHIREVGREYGTTTGRPRRVGWFDSVVLRHSRRVSGITDLSINSIDVLTGLDTVKICTAYELDGKEITEYPANLDQLKRCKPIFEELPGWTEDVTSVRTLEELPENARKYLERISELCNVQISIFSVGPDREQTNLLKELW |
| Complex: AMP_C_3(1SON) / Model_9(1SON/A) = [5.4]
| Download | 666.85 | 7.63 | MSSIVVVGTQWGDEGKGKITDFLAEQSDVIARFSGGNNAGHTIQFGGETYKLHLVPSGIFYKDKLAVIGNGVVVDPVALLKELDGLNERGIPTSNLRISNRAQVILPYHLAQDEYEERLRGDNKIGTTKKGIGPAYVDKVQRIGIRMADLLEKETFERLLKSNIEYKQAYFKGMFNETCPSFDDIFEEYYAAGQRLKEFVTDTSKILDDAFVADEKVLFEGAQGVMLDIDHGTYPFVTSSNPIAGNVTVGTGVGPTFVSKVIGVCKAYTSRVGDGPFPTELFDEDGHHIREVGREYGTTTGRPRRVGWFDSVVLRHSRRVSGITDLSINSIDVLTGLDTVKICTAYELDGKEITEYPANLDQLKRCKPIFEELPGWTEDVTSVRTLEELPENARKYLERISELCNVQISIFSVGPDREQTNLLKELW |
Consensus
[pKd Mean = 4.52] | - | 580
(s=225) | 7
(s=3) | MSSIVVVGTQWGDEGKGKITDFLAEQSDVIARFSGGNNAGHTIQFGGETYKLHLVPSGIFYKDKLAVIGNGVVVDPVALLKELDGLNERGIPTSNLRISNRAQVILPYHLAQDEYEERLRGDNKIGTTKKGIGPAYVDKVQRIGIRMADLLEKETFERLLKSNIEYKQAYFKGMFNETCPSFDDIFEEYYAAGQRLKEFVTDTSKILDDAFVADEKVLFEGAQGVMLDIDHGTYPFVTSSNPIAGNVTVGTGVGPTFVSKVIGVCKAYTSRVGDGPFPTELFDEDGHHIREVGREYGTTTGRPRRVGWFDSVVLRHSRRVSGITDLSINSIDVLTGLDTVKICTAYELDGKEITEYPANLDQLKRCKPIFEELPGWTEDVTSVRTLEELPENARKYLERISELCNVQISIFSVGPDREQTNLLKELW |