| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: PPV_A_9(2BCQ) / Model_25(2BCQ/A) = [3.2]
| Download | 655.07 | -4.31 | MTKKDVIKLLEQIATYMELKGENTFKISAYRKAAQSLELDERPLDEISDVTELKGIGKGVAEVINDYRETGESQYLQQLQEEVPEGLIPLLKIQGLGSKKIAKLYKELNIVDKASLQVACENGKVSELSGFAKKTEQNILEAVKQLGAKKDRYPIDQMRRLNQEIIDYIDTLNYIDQYSSAGSFRRFKEMSKDLDFIISTDNPKAVQQQLLNIPNKVKEVAVGNTKVSLELAYDDETIGVDFRLIEPRAFYHTLQHFTGSKEHNIRIRQLAKARDEKVSEYGIEQADGTLIQYDSEAKIYEHFNVNFIPPAMREDGSEFDKDLSNIITLDDINGDIHMHTTYSDGAFSIRDMVEANIAKGYKFMVITDHSQSLRVANGLQVERLLRQNEEIKALDKEYSEIDIYSGTEMDILPDGSLDYDDEILAQLDYVIGAIHQSFNQSEEQIMERLANACRNPYVRHIAHPTGRIIGRRDGYKPNIEQLMALAEETNTVLEINANPHRLDLNAEIVRKYPNVKLTINTDAHHTNHLDFMNYGVATAQKGFVTKDRVINALSREAFKDFIENNIKLKK |
| Complex: DGT_A_9(3B0X) / Model_23(3B0X/A) = [6.4]
| Download | 1448.87 | -6.36 | MTKKDVIKLLEQIATYMELKGENTFKISAYRKAAQSLELDERPLDEISDVTELKGIGKGVAEVINDYRETGESQYLQQLQEEVPEGLIPLLKIQGLGSKKIAKLYKELNIVDKASLQVACENGKVSELSGFAKKTEQNILEAVKQLGAKKDRYPIDQMRRLNQEIIDYIDTLNYIDQYSSAGSFRRFKEMSKDLDFIISTDNPKAVQQQLLNIPNKVKEVAVGNTKVSLELAYDDETIGVDFRLIEPRAFYHTLQHFTGSKEHNIRIRQLAKARDEKVSEYGIEQADGTLIQYDSEAKIYEHFNVNFIPPAMREDGSEFDKDLSNIITLDDINGDIHMHTTYSDGAFSIRDMVEANIAKGYKFMVITDHSQSLRVANGLQVERLLRQNEEIKALDKEYSEIDIYSGTEMDILPDGSLDYDDEILAQLDYVIGAIHQSFNQSEEQIMERLANACRNPYVRHIAHPTGRIIGRRDGYKPNIEQLMALAEETNTVLEINANPHRLDLNAEIVRKYPNVKLTINTDAHHTNHLDFMNYGVATAQKGFVTKDRVINALSREAFKDFIENNIKLKK |
Consensus
[pKd Mean = 4.80] | - | 1051
(s=396) | -5
(s=1) | MTKKDVIKLLEQIATYMELKGENTFKISAYRKAAQSLELDERPLDEISDVTELKGIGKGVAEVINDYRETGESQYLQQLQEEVPEGLIPLLKIQGLGSKKIAKLYKELNIVDKASLQVACENGKVSELSGFAKKTEQNILEAVKQLGAKKDRYPIDQMRRLNQEIIDYIDTLNYIDQYSSAGSFRRFKEMSKDLDFIISTDNPKAVQQQLLNIPNKVKEVAVGNTKVSLELAYDDETIGVDFRLIEPRAFYHTLQHFTGSKEHNIRIRQLAKARDEKVSEYGIEQADGTLIQYDSEAKIYEHFNVNFIPPAMREDGSEFDKDLSNIITLDDINGDIHMHTTYSDGAFSIRDMVEANIAKGYKFMVITDHSQSLRVANGLQVERLLRQNEEIKALDKEYSEIDIYSGTEMDILPDGSLDYDDEILAQLDYVIGAIHQSFNQSEEQIMERLANACRNPYVRHIAHPTGRIIGRRDGYKPNIEQLMALAEETNTVLEINANPHRLDLNAEIVRKYPNVKLTINTDAHHTNHLDFMNYGVATAQKGFVTKDRVINALSREAFKDFIENNIKLKK |