| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: THR_B_5(1EVK) / Model_38(1EVK/B) = [3.2]
| Download | 5478.06 | 28.25 | MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI |
| Complex: 2CR_B_9(4P3O) / Model_40(4P3O/B) = [5.0]
| Download | 1513.06 | 14.52 | MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI |
| Complex: 2CR_B_8(4P3P) / Model_39(4P3P/B) = [6.1]
| Download | 1259.02 | 15.68 | MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI |
| Complex: 2CR_A_4(4P3P) / Model_13(4P3P/A) = [6.1]
| Download | 1217.42 | 15.59 | MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI |
| Complex: 1B2_A_4(4HWR) / Model_6(4HWR/A) = [6.3]
| Download | 745.81 | 19.11 | MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI |
Consensus
[pKd Mean = 5.34] | - | 2042
(s=1735) | 18
(s=5) | MIRITFLAKQKVEEYSSRVTGFDILQPDISKEAIALRVNGELYDLSREIESDTEIDVIQLNDEEGLDIIRHDAAHIMAQAVKELFPNAQVTIGPTIQDGFYYDFAIDHTFTTDDLAAIEKKMKEIIKSNHRFIREVWARKQAINFFSSIGEKYKVDIISSIPESEDLTVYRQGDFVDLCRGPHSPSTSRVKAFKLMKVAGAYWRGNVKGPMLQRIYGTAWRNKDELNIYLKRLEEAKKRDHRRIAKDMDLFHIQEEAVGQVFWHEQGYTLYNVLESYIRKKLINNGYAEVKTPILVSKELWEKSGHWDKFRENMFIVDESESKKLAIKPMNCPCHVQIFNSYTRSYRNLPIRMAEFGMCHRNESSGSLHGLMRVRGFTQDDAHIFCMEEQVNSETVKFCALLKEVYSELGFNEISVKFSDRPNVRAGDNEVWDRAEKALLEAVKEAGLSYELNPGEGAFYGPKLEFILKDAIGRSWQCGTLQVDFILPERLGAFYIGADGQKYHPVMLHRAILGTFERFIGILIEHYAGKFPLWLAPTQLVILTVTNEADNYATEISNVLKEQGVRVKTDLTNEKVSYKIRLHSSNKVPILWIVGKNEVASKTVSVRNLGSEKQESSSCEKAVKLLLKKVLI |