Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
Complex: EVO_A_3(5CPH) / Model_144(5CPH/A) = [3.7]
| Download | 937.96 | 13.33 | MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV |
Complex: NOV_A_4(4URN) / Model_70(4URN/A) = [4.7]
| Download | 948.30 | 14.81 | MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV |
Complex: NOV_C_6(4URN) / Model_68(4URN/C) = [4.8]
| Download | 902.39 | 14.81 | MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV |
Complex: 4S4_A_2(4ZVI) / Model_59(4ZVI/A) = [4.9]
| Download | 971.57 | 10.32 | MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV |
Complex: 28F_A_3(4MB9) / Model_63(4MB9/A) = [4.9]
| Download | 775.38 | 9.48 | MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV |
Consensus [pKd Mean = 4.60] | - | 907 (s=69) | 12 (s=2) | MARKQQFDYNEDAIQVLEGLEAVRKRPGMYIGSTDARGLHHLVYEIVDNSVDEVLAGHGDHIIVKIHKDNSISVQDRGRGMPTGMHKLGKPTPEVILTVLHAGGKFGQGGYKTSGGLHGVGASVVNALSEWLTVTIERDGFVYQQRFENGGKPVTSLEKIGKTKKTGTLTHFKPDPTMFSTTTYNFETLSERLRESAFLLKGLKIELIDERNDQREVFYYENGIEAFVAYLNEEKDVLSEVVSFEGEHHSIEVDFAFQFNDGYSENILSFVNNVRTKDGGTHESGAKTAMTRAFNEYARKVALLKEKDKNLEGTDIREGLSAIISVRIPEELLQFEGQTKGKLGTSEARSAVDAIVSEQLAYFLEENRDTATLLVKKAIKASQAREAARKAREEARSGKKRKKSEATLSGKLTPAGSRNPAKNELYLVEGDSAGGSAKQGRDRRFQAVLPLRGKVINTEKAKLADIFKNEEINTIIHAIGGGVGADFSIDDINYDKIIIMTDADTDGAHIQVLLLTFFYRYMKPLIEHGKVFIALPPLYKVSKGSGKKEIIEYAWSDEEMGDVLKKVGKGYTIQRYKGLGEMNADQLWETTMNPESRTLVRVKIDDAARVERRVTTLMGDKVEPRRKWIEKNVAFGLDEESNILENENLSVAEEV |