| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: OA1_A_3(2W6M) / Model_16(2W6M/A) = [3.3]
| Download | 868.92 | 32.86 | MPSFNKILVANRGEIACRVLRTAHELGYRSVAVYSEADADTRHVQLADEAVCIGPAAVAQSYLNLEAILDAARRSGAEAIHPGYGFLSENAEFARACEAAGIVFIGPDAEAIHLMGSKRLSKIAMLAAGVPCIPGYEGAEQDDATLRREAERIGYPLMIKASAGGGGRGMRLVEEPGQLLEQLRTARSEALGAFGSAELILERAVLRPRHVEIQVFGDRHGNLLYLGERDCSVQRRHQKVIEEAPCPVLDADLRRAMGEAAVKAAASVNYVGAGTVEFLLGEDGRFYFLEMNTRLQVEHPVTELVTGQDLVAWQIRIAEGHPLPLRQEQVELRGHAIEVRLYAEDAGRGFLPQTGTVLRWDPELLPGVRIDHGLVEGQAVTPFYDPMLAKLIAYGATRDEARRKLIRALERCVLLGVDGNQRFLANLLAHPDFAAGEATTAFIGERFAEDPSLQPRQPGAEELALAAALLYQAGAEASAHQPGLAGWRSAAGAPWKIVLKHAEQRLEIGLEVLESGRRPRLLARLERREIAVRLLDCDGRWASAELDGIRRRHAYHLDGGRLWLYGHGGNLELLDVTHAGASAQVGASSGTLKAPMDGAIVEVLVGEGERVGKGQLLLVLEAMKMEHPLKAGVDGVVRRVQVGRGEQVRNRQVLVEVEADA |
| Complex: OA1_B_5(2W6M) / Model_44(2W6M/B) = [3.3]
| Download | 854.47 | 35.43 | MPSFNKILVANRGEIACRVLRTAHELGYRSVAVYSEADADTRHVQLADEAVCIGPAAVAQSYLNLEAILDAARRSGAEAIHPGYGFLSENAEFARACEAAGIVFIGPDAEAIHLMGSKRLSKIAMLAAGVPCIPGYEGAEQDDATLRREAERIGYPLMIKASAGGGGRGMRLVEEPGQLLEQLRTARSEALGAFGSAELILERAVLRPRHVEIQVFGDRHGNLLYLGERDCSVQRRHQKVIEEAPCPVLDADLRRAMGEAAVKAAASVNYVGAGTVEFLLGEDGRFYFLEMNTRLQVEHPVTELVTGQDLVAWQIRIAEGHPLPLRQEQVELRGHAIEVRLYAEDAGRGFLPQTGTVLRWDPELLPGVRIDHGLVEGQAVTPFYDPMLAKLIAYGATRDEARRKLIRALERCVLLGVDGNQRFLANLLAHPDFAAGEATTAFIGERFAEDPSLQPRQPGAEELALAAALLYQAGAEASAHQPGLAGWRSAAGAPWKIVLKHAEQRLEIGLEVLESGRRPRLLARLERREIAVRLLDCDGRWASAELDGIRRRHAYHLDGGRLWLYGHGGNLELLDVTHAGASAQVGASSGTLKAPMDGAIVEVLVGEGERVGKGQLLLVLEAMKMEHPLKAGVDGVVRRVQVGRGEQVRNRQVLVEVEADA |
| Complex: OA3_C_5(2W6O) / Model_42(2W6O/C) = [3.4]
| Download | 671.22 | 30.00 | MPSFNKILVANRGEIACRVLRTAHELGYRSVAVYSEADADTRHVQLADEAVCIGPAAVAQSYLNLEAILDAARRSGAEAIHPGYGFLSENAEFARACEAAGIVFIGPDAEAIHLMGSKRLSKIAMLAAGVPCIPGYEGAEQDDATLRREAERIGYPLMIKASAGGGGRGMRLVEEPGQLLEQLRTARSEALGAFGSAELILERAVLRPRHVEIQVFGDRHGNLLYLGERDCSVQRRHQKVIEEAPCPVLDADLRRAMGEAAVKAAASVNYVGAGTVEFLLGEDGRFYFLEMNTRLQVEHPVTELVTGQDLVAWQIRIAEGHPLPLRQEQVELRGHAIEVRLYAEDAGRGFLPQTGTVLRWDPELLPGVRIDHGLVEGQAVTPFYDPMLAKLIAYGATRDEARRKLIRALERCVLLGVDGNQRFLANLLAHPDFAAGEATTAFIGERFAEDPSLQPRQPGAEELALAAALLYQAGAEASAHQPGLAGWRSAAGAPWKIVLKHAEQRLEIGLEVLESGRRPRLLARLERREIAVRLLDCDGRWASAELDGIRRRHAYHLDGGRLWLYGHGGNLELLDVTHAGASAQVGASSGTLKAPMDGAIVEVLVGEGERVGKGQLLLVLEAMKMEHPLKAGVDGVVRRVQVGRGEQVRNRQVLVEVEADA |
| Complex: L22_B_5(2W70) / Model_37(2W70/B) = [3.6]
| Download | 490.27 | 31.28 | MPSFNKILVANRGEIACRVLRTAHELGYRSVAVYSEADADTRHVQLADEAVCIGPAAVAQSYLNLEAILDAARRSGAEAIHPGYGFLSENAEFARACEAAGIVFIGPDAEAIHLMGSKRLSKIAMLAAGVPCIPGYEGAEQDDATLRREAERIGYPLMIKASAGGGGRGMRLVEEPGQLLEQLRTARSEALGAFGSAELILERAVLRPRHVEIQVFGDRHGNLLYLGERDCSVQRRHQKVIEEAPCPVLDADLRRAMGEAAVKAAASVNYVGAGTVEFLLGEDGRFYFLEMNTRLQVEHPVTELVTGQDLVAWQIRIAEGHPLPLRQEQVELRGHAIEVRLYAEDAGRGFLPQTGTVLRWDPELLPGVRIDHGLVEGQAVTPFYDPMLAKLIAYGATRDEARRKLIRALERCVLLGVDGNQRFLANLLAHPDFAAGEATTAFIGERFAEDPSLQPRQPGAEELALAAALLYQAGAEASAHQPGLAGWRSAAGAPWKIVLKHAEQRLEIGLEVLESGRRPRLLARLERREIAVRLLDCDGRWASAELDGIRRRHAYHLDGGRLWLYGHGGNLELLDVTHAGASAQVGASSGTLKAPMDGAIVEVLVGEGERVGKGQLLLVLEAMKMEHPLKAGVDGVVRRVQVGRGEQVRNRQVLVEVEADA |
| Complex: OA3_A_3(2W6O) / Model_18(2W6O/A) = [3.7]
| Download | 469.70 | 30.00 | MPSFNKILVANRGEIACRVLRTAHELGYRSVAVYSEADADTRHVQLADEAVCIGPAAVAQSYLNLEAILDAARRSGAEAIHPGYGFLSENAEFARACEAAGIVFIGPDAEAIHLMGSKRLSKIAMLAAGVPCIPGYEGAEQDDATLRREAERIGYPLMIKASAGGGGRGMRLVEEPGQLLEQLRTARSEALGAFGSAELILERAVLRPRHVEIQVFGDRHGNLLYLGERDCSVQRRHQKVIEEAPCPVLDADLRRAMGEAAVKAAASVNYVGAGTVEFLLGEDGRFYFLEMNTRLQVEHPVTELVTGQDLVAWQIRIAEGHPLPLRQEQVELRGHAIEVRLYAEDAGRGFLPQTGTVLRWDPELLPGVRIDHGLVEGQAVTPFYDPMLAKLIAYGATRDEARRKLIRALERCVLLGVDGNQRFLANLLAHPDFAAGEATTAFIGERFAEDPSLQPRQPGAEELALAAALLYQAGAEASAHQPGLAGWRSAAGAPWKIVLKHAEQRLEIGLEVLESGRRPRLLARLERREIAVRLLDCDGRWASAELDGIRRRHAYHLDGGRLWLYGHGGNLELLDVTHAGASAQVGASSGTLKAPMDGAIVEVLVGEGERVGKGQLLLVLEAMKMEHPLKAGVDGVVRRVQVGRGEQVRNRQVLVEVEADA |
Consensus
[pKd Mean = 3.46] | - | 670
(s=170) | 31
(s=2) | MPSFNKILVANRGEIACRVLRTAHELGYRSVAVYSEADADTRHVQLADEAVCIGPAAVAQSYLNLEAILDAARRSGAEAIHPGYGFLSENAEFARACEAAGIVFIGPDAEAIHLMGSKRLSKIAMLAAGVPCIPGYEGAEQDDATLRREAERIGYPLMIKASAGGGGRGMRLVEEPGQLLEQLRTARSEALGAFGSAELILERAVLRPRHVEIQVFGDRHGNLLYLGERDCSVQRRHQKVIEEAPCPVLDADLRRAMGEAAVKAAASVNYVGAGTVEFLLGEDGRFYFLEMNTRLQVEHPVTELVTGQDLVAWQIRIAEGHPLPLRQEQVELRGHAIEVRLYAEDAGRGFLPQTGTVLRWDPELLPGVRIDHGLVEGQAVTPFYDPMLAKLIAYGATRDEARRKLIRALERCVLLGVDGNQRFLANLLAHPDFAAGEATTAFIGERFAEDPSLQPRQPGAEELALAAALLYQAGAEASAHQPGLAGWRSAAGAPWKIVLKHAEQRLEIGLEVLESGRRPRLLARLERREIAVRLLDCDGRWASAELDGIRRRHAYHLDGGRLWLYGHGGNLELLDVTHAGASAQVGASSGTLKAPMDGAIVEVLVGEGERVGKGQLLLVLEAMKMEHPLKAGVDGVVRRVQVGRGEQVRNRQVLVEVEADA |