| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: DPM_A_3(3ECR) / Model_7(3ECR/A) = [7.6]
| Download | 1152.52 | 34.59 | MIRIGTRGSLLATTQAATVRDALIAGGHSAELVTISTEGDRSMAPIASLGVGVFTTALREAMEAGLVDAAVHSYKDLPTAADPRFTVAAIPPRNDPRDAVVARDGLTLGELPVGSLVGTSSPRRAAQLRALGLGLEIRPLRGNLDTRLNKVSSGDLDAIVVARAGLARLGRLDDVTETLEPVQMLPAPAQGALAVECRAGDSRLVAVLAELDDADTRAAVTAERALLADLEAGCSAPVGAIAEVVESIDEDGRVFEELSLRGCVAALDGSDVIRASGIGSCGRARELGLSVAAELFELGARELMWGVRH |
| Complex: DPM_A_3(3ECR) / Model_18(3ECR/A) = [7.6]
| Download | 1249.31 | 34.59 | MIRIGTRGSLLATTQAATVRDALIAGGHSAELVTISTEGDRSMAPIASLGVGVFTTALREAMEAGLVDAAVHSYKDLPTAADPRFTVAAIPPRNDPRDAVVARDGLTLGELPVGSLVGTSSPRRAAQLRALGLGLEIRPLRGNLDTRLNKVSSGDLDAIVVARAGLARLGRLDDVTETLEPVQMLPAPAQGALAVECRAGDSRLVAVLAELDDADTRAAVTAERALLADLEAGCSAPVGAIAEVVESIDEDGRVFEELSLRGCVAALDGSDVIRASGIGSCGRARELGLSVAAELFELGARELMWGVRH |
| Complex: DPM_B_2(1YPN) / Model_4(1YPN/A) = [7.7]
| Download | 1045.62 | 27.00 | MIRIGTRGSLLATTQAATVRDALIAGGHSAELVTISTEGDRSMAPIASLGVGVFTTALREAMEAGLVDAAVHSYKDLPTAADPRFTVAAIPPRNDPRDAVVARDGLTLGELPVGSLVGTSSPRRAAQLRALGLGLEIRPLRGNLDTRLNKVSSGDLDAIVVARAGLARLGRLDDVTETLEPVQMLPAPAQGALAVECRAGDSRLVAVLAELDDADTRAAVTAERALLADLEAGCSAPVGAIAEVVESIDEDGRVFEELSLRGCVAALDGSDVIRASGIGSCGRARELGLSVAAELFELGARELMWGVRH |
| Complex: DPM_A_2(2YPN) / Model_1(2YPN/A) = [8.3]
| Download | 922.10 | 26.39 | MIRIGTRGSLLATTQAATVRDALIAGGHSAELVTISTEGDRSMAPIASLGVGVFTTALREAMEAGLVDAAVHSYKDLPTAADPRFTVAAIPPRNDPRDAVVARDGLTLGELPVGSLVGTSSPRRAAQLRALGLGLEIRPLRGNLDTRLNKVSSGDLDAIVVARAGLARLGRLDDVTETLEPVQMLPAPAQGALAVECRAGDSRLVAVLAELDDADTRAAVTAERALLADLEAGCSAPVGAIAEVVESIDEDGRVFEELSLRGCVAALDGSDVIRASGIGSCGRARELGLSVAAELFELGARELMWGVRH |
| Complex: DPM_A_3(3EQ1) / Model_8(3EQ1/A) = [8.5]
| Download | 1029.50 | 30.22 | MIRIGTRGSLLATTQAATVRDALIAGGHSAELVTISTEGDRSMAPIASLGVGVFTTALREAMEAGLVDAAVHSYKDLPTAADPRFTVAAIPPRNDPRDAVVARDGLTLGELPVGSLVGTSSPRRAAQLRALGLGLEIRPLRGNLDTRLNKVSSGDLDAIVVARAGLARLGRLDDVTETLEPVQMLPAPAQGALAVECRAGDSRLVAVLAELDDADTRAAVTAERALLADLEAGCSAPVGAIAEVVESIDEDGRVFEELSLRGCVAALDGSDVIRASGIGSCGRARELGLSVAAELFELGARELMWGVRH |
Consensus
[pKd Mean = 7.94] | - | 1079
(s=111) | 30
(s=3) | MIRIGTRGSLLATTQAATVRDALIAGGHSAELVTISTEGDRSMAPIASLGVGVFTTALREAMEAGLVDAAVHSYKDLPTAADPRFTVAAIPPRNDPRDAVVARDGLTLGELPVGSLVGTSSPRRAAQLRALGLGLEIRPLRGNLDTRLNKVSSGDLDAIVVARAGLARLGRLDDVTETLEPVQMLPAPAQGALAVECRAGDSRLVAVLAELDDADTRAAVTAERALLADLEAGCSAPVGAIAEVVESIDEDGRVFEELSLRGCVAALDGSDVIRASGIGSCGRARELGLSVAAELFELGARELMWGVRH |