| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C5_S1 |
| Complex: B3N_A_5(1T67) / Model_2(2VQJ/A) = [3.2]
| Download | 888.99 | 22.88 | MVDASEGSSKEEEAGHVPHVEVESARNCGEAWTKTRSSPFTSVWHISGETGAAAGHCREGSLHKLIATNNISGVRLWLSNPFCRSMINDLNHAGETPLHVAVQCCSPRILSLLLDPPPLQISPSLLASCSLRLPRPLAGTAEPPSGAPASSNEGAPLGGSAEEVADAGVASLKTQQPFSAETAISSVVATDAAAACDQLAMAAAARVDFSLSVDGIPTLHLLIGRTAFGGARGEDAMECLKRILLHIGRFQPGAADRCPRCSPGKTKPTACGRERSGVKAESVAFECGDHVSDPQAGGLRESQISHPGLGGQQEYGCQCCGGTLGSLDSRRKKEMREARDRVCCPEVFTVERQTSAADSVMLDLEEMDLQGRTALHLACSFGVSPVAELLLHAGASPWARRLGLGQLPIHSAIDADDPACCLLLLRHTLPCRFFVNFSCICGRRCDSGATGGRQAPVNTLALKRSPAATKFVFQLVRRCVRRGAWRCFRALLLYPTESSACFSGSVEGGDKAEGLQPGGSNSAASRRCEVENLGRKEDACERQGGRVRCVTKDVAASWCSGLHGLLDGEVRAWLYLREEARRAGALLDLKEQLQRVVTTSPACCQAAAASWTAVPASPCDGHKFGVKSESETGLLLSLFGTHGDAEGKTAKRGEGRTMVVTHALCLEHLPLPEPADMPLKRHKLMQRFPENPSRLEVVTSDRCGILRTREFSPLLWMDDPMPASLSDILRVHSMSYIARLKLRVEDAFGISTRLPSLSPPLSYAPGQTAAAATATGAEALAAAAAALDSKLQKEQYEKQKRQQIENVGSAGRYSFVFADGDTPVTCFSWAAAVHAAGAVIAAVDAVCERKCRNAFCAVRPPGHHLGNWGAAQTASNQLTDEDIAAGSQGFCLLNNVAIGAAYAKYNYARKGIRRIAIVDFDVHHGNGTEQIIRNVGMKIRKVKQPQGAALRLYRRAADELRGTSTLVSSNLSRDAPAAGDNSAHCGPDPCEVDATGSEKTPSQGYHVGDGGKVSAALPPQLAGPVDVPQWMGWRDERDAEELFFASIHAFDGTFYPGTGADCEDFSGPVVINVNILPHPTGPSLHKCCRCQKCSGRPCAGGAHRRCPRGRDAGVSYANASPMEVEMAARTPDVPVQVSWSCHFCRHPTLAPSSVAARRLFLKRIIRPLLRFGPDLLFISAGFDGHAQDQIGGAFGGFAEEDFRFFTHALVRCAERTCEGRVVSVLEGGYSVSGGVSSTLAASVKEHLRGLMRTPAGGSCFAGALGSEQPGNEAHEAAPRESSLSFPGKNGWEEDIEVGDAATSDVTASDVEESWQLIEGENTGMDGADSSDALLDEGSRRNGSDDGPSADALSHRRPREAKTLDGCASPGPHSSTETASEASGHCEREHSADFPPGADACRSRGTEHRSPTNAFASSASAPSAQRYGDSATVNNNDLLTLRALCRGTDGCLR |
| Complex: TSN_A_3(5WGI) / Model_4(5G0Y/B) = [3.2]
| Download | 711.05 | 18.57 | MVDASEGSSKEEEAGHVPHVEVESARNCGEAWTKTRSSPFTSVWHISGETGAAAGHCREGSLHKLIATNNISGVRLWLSNPFCRSMINDLNHAGETPLHVAVQCCSPRILSLLLDPPPLQISPSLLASCSLRLPRPLAGTAEPPSGAPASSNEGAPLGGSAEEVADAGVASLKTQQPFSAETAISSVVATDAAAACDQLAMAAAARVDFSLSVDGIPTLHLLIGRTAFGGARGEDAMECLKRILLHIGRFQPGAADRCPRCSPGKTKPTACGRERSGVKAESVAFECGDHVSDPQAGGLRESQISHPGLGGQQEYGCQCCGGTLGSLDSRRKKEMREARDRVCCPEVFTVERQTSAADSVMLDLEEMDLQGRTALHLACSFGVSPVAELLLHAGASPWARRLGLGQLPIHSAIDADDPACCLLLLRHTLPCRFFVNFSCICGRRCDSGATGGRQAPVNTLALKRSPAATKFVFQLVRRCVRRGAWRCFRALLLYPTESSACFSGSVEGGDKAEGLQPGGSNSAASRRCEVENLGRKEDACERQGGRVRCVTKDVAASWCSGLHGLLDGEVRAWLYLREEARRAGALLDLKEQLQRVVTTSPACCQAAAASWTAVPASPCDGHKFGVKSESETGLLLSLFGTHGDAEGKTAKRGEGRTMVVTHALCLEHLPLPEPADMPLKRHKLMQRFPENPSRLEVVTSDRCGILRTREFSPLLWMDDPMPASLSDILRVHSMSYIARLKLRVEDAFGISTRLPSLSPPLSYAPGQTAAAATATGAEALAAAAAALDSKLQKEQYEKQKRQQIENVGSAGRYSFVFADGDTPVTCFSWAAAVHAAGAVIAAVDAVCERKCRNAFCAVRPPGHHLGNWGAAQTASNQLTDEDIAAGSQGFCLLNNVAIGAAYAKYNYARKGIRRIAIVDFDVHHGNGTEQIIRNVGMKIRKVKQPQGAALRLYRRAADELRGTSTLVSSNLSRDAPAAGDNSAHCGPDPCEVDATGSEKTPSQGYHVGDGGKVSAALPPQLAGPVDVPQWMGWRDERDAEELFFASIHAFDGTFYPGTGADCEDFSGPVVINVNILPHPTGPSLHKCCRCQKCSGRPCAGGAHRRCPRGRDAGVSYANASPMEVEMAARTPDVPVQVSWSCHFCRHPTLAPSSVAARRLFLKRIIRPLLRFGPDLLFISAGFDGHAQDQIGGAFGGFAEEDFRFFTHALVRCAERTCEGRVVSVLEGGYSVSGGVSSTLAASVKEHLRGLMRTPAGGSCFAGALGSEQPGNEAHEAAPRESSLSFPGKNGWEEDIEVGDAATSDVTASDVEESWQLIEGENTGMDGADSSDALLDEGSRRNGSDDGPSADALSHRRPREAKTLDGCASPGPHSSTETASEASGHCEREHSADFPPGADACRSRGTEHRSPTNAFASSASAPSAQRYGDSATVNNNDLLTLRALCRGTDGCLR |
| Complex: SHH_A_3(1T69) / Model_2(2VQJ/A) = [3.2]
| Download | 741.15 | 17.73 | MVDASEGSSKEEEAGHVPHVEVESARNCGEAWTKTRSSPFTSVWHISGETGAAAGHCREGSLHKLIATNNISGVRLWLSNPFCRSMINDLNHAGETPLHVAVQCCSPRILSLLLDPPPLQISPSLLASCSLRLPRPLAGTAEPPSGAPASSNEGAPLGGSAEEVADAGVASLKTQQPFSAETAISSVVATDAAAACDQLAMAAAARVDFSLSVDGIPTLHLLIGRTAFGGARGEDAMECLKRILLHIGRFQPGAADRCPRCSPGKTKPTACGRERSGVKAESVAFECGDHVSDPQAGGLRESQISHPGLGGQQEYGCQCCGGTLGSLDSRRKKEMREARDRVCCPEVFTVERQTSAADSVMLDLEEMDLQGRTALHLACSFGVSPVAELLLHAGASPWARRLGLGQLPIHSAIDADDPACCLLLLRHTLPCRFFVNFSCICGRRCDSGATGGRQAPVNTLALKRSPAATKFVFQLVRRCVRRGAWRCFRALLLYPTESSACFSGSVEGGDKAEGLQPGGSNSAASRRCEVENLGRKEDACERQGGRVRCVTKDVAASWCSGLHGLLDGEVRAWLYLREEARRAGALLDLKEQLQRVVTTSPACCQAAAASWTAVPASPCDGHKFGVKSESETGLLLSLFGTHGDAEGKTAKRGEGRTMVVTHALCLEHLPLPEPADMPLKRHKLMQRFPENPSRLEVVTSDRCGILRTREFSPLLWMDDPMPASLSDILRVHSMSYIARLKLRVEDAFGISTRLPSLSPPLSYAPGQTAAAATATGAEALAAAAAALDSKLQKEQYEKQKRQQIENVGSAGRYSFVFADGDTPVTCFSWAAAVHAAGAVIAAVDAVCERKCRNAFCAVRPPGHHLGNWGAAQTASNQLTDEDIAAGSQGFCLLNNVAIGAAYAKYNYARKGIRRIAIVDFDVHHGNGTEQIIRNVGMKIRKVKQPQGAALRLYRRAADELRGTSTLVSSNLSRDAPAAGDNSAHCGPDPCEVDATGSEKTPSQGYHVGDGGKVSAALPPQLAGPVDVPQWMGWRDERDAEELFFASIHAFDGTFYPGTGADCEDFSGPVVINVNILPHPTGPSLHKCCRCQKCSGRPCAGGAHRRCPRGRDAGVSYANASPMEVEMAARTPDVPVQVSWSCHFCRHPTLAPSSVAARRLFLKRIIRPLLRFGPDLLFISAGFDGHAQDQIGGAFGGFAEEDFRFFTHALVRCAERTCEGRVVSVLEGGYSVSGGVSSTLAASVKEHLRGLMRTPAGGSCFAGALGSEQPGNEAHEAAPRESSLSFPGKNGWEEDIEVGDAATSDVTASDVEESWQLIEGENTGMDGADSSDALLDEGSRRNGSDDGPSADALSHRRPREAKTLDGCASPGPHSSTETASEASGHCEREHSADFPPGADACRSRGTEHRSPTNAFASSASAPSAQRYGDSATVNNNDLLTLRALCRGTDGCLR |
| Complex: SHH_A_3(1T69) / Model_1(2VQM/A) = [3.3]
| Download | 822.63 | 17.73 | MVDASEGSSKEEEAGHVPHVEVESARNCGEAWTKTRSSPFTSVWHISGETGAAAGHCREGSLHKLIATNNISGVRLWLSNPFCRSMINDLNHAGETPLHVAVQCCSPRILSLLLDPPPLQISPSLLASCSLRLPRPLAGTAEPPSGAPASSNEGAPLGGSAEEVADAGVASLKTQQPFSAETAISSVVATDAAAACDQLAMAAAARVDFSLSVDGIPTLHLLIGRTAFGGARGEDAMECLKRILLHIGRFQPGAADRCPRCSPGKTKPTACGRERSGVKAESVAFECGDHVSDPQAGGLRESQISHPGLGGQQEYGCQCCGGTLGSLDSRRKKEMREARDRVCCPEVFTVERQTSAADSVMLDLEEMDLQGRTALHLACSFGVSPVAELLLHAGASPWARRLGLGQLPIHSAIDADDPACCLLLLRHTLPCRFFVNFSCICGRRCDSGATGGRQAPVNTLALKRSPAATKFVFQLVRRCVRRGAWRCFRALLLYPTESSACFSGSVEGGDKAEGLQPGGSNSAASRRCEVENLGRKEDACERQGGRVRCVTKDVAASWCSGLHGLLDGEVRAWLYLREEARRAGALLDLKEQLQRVVTTSPACCQAAAASWTAVPASPCDGHKFGVKSESETGLLLSLFGTHGDAEGKTAKRGEGRTMVVTHALCLEHLPLPEPADMPLKRHKLMQRFPENPSRLEVVTSDRCGILRTREFSPLLWMDDPMPASLSDILRVHSMSYIARLKLRVEDAFGISTRLPSLSPPLSYAPGQTAAAATATGAEALAAAAAALDSKLQKEQYEKQKRQQIENVGSAGRYSFVFADGDTPVTCFSWAAAVHAAGAVIAAVDAVCERKCRNAFCAVRPPGHHLGNWGAAQTASNQLTDEDIAAGSQGFCLLNNVAIGAAYAKYNYARKGIRRIAIVDFDVHHGNGTEQIIRNVGMKIRKVKQPQGAALRLYRRAADELRGTSTLVSSNLSRDAPAAGDNSAHCGPDPCEVDATGSEKTPSQGYHVGDGGKVSAALPPQLAGPVDVPQWMGWRDERDAEELFFASIHAFDGTFYPGTGADCEDFSGPVVINVNILPHPTGPSLHKCCRCQKCSGRPCAGGAHRRCPRGRDAGVSYANASPMEVEMAARTPDVPVQVSWSCHFCRHPTLAPSSVAARRLFLKRIIRPLLRFGPDLLFISAGFDGHAQDQIGGAFGGFAEEDFRFFTHALVRCAERTCEGRVVSVLEGGYSVSGGVSSTLAASVKEHLRGLMRTPAGGSCFAGALGSEQPGNEAHEAAPRESSLSFPGKNGWEEDIEVGDAATSDVTASDVEESWQLIEGENTGMDGADSSDALLDEGSRRNGSDDGPSADALSHRRPREAKTLDGCASPGPHSSTETASEASGHCEREHSADFPPGADACRSRGTEHRSPTNAFASSASAPSAQRYGDSATVNNNDLLTLRALCRGTDGCLR |
| Complex: TFG_A_8(2VQJ) / Model_13(5WGI/A) = [3.3]
| Download | 1021.92 | 11.48 | MVDASEGSSKEEEAGHVPHVEVESARNCGEAWTKTRSSPFTSVWHISGETGAAAGHCREGSLHKLIATNNISGVRLWLSNPFCRSMINDLNHAGETPLHVAVQCCSPRILSLLLDPPPLQISPSLLASCSLRLPRPLAGTAEPPSGAPASSNEGAPLGGSAEEVADAGVASLKTQQPFSAETAISSVVATDAAAACDQLAMAAAARVDFSLSVDGIPTLHLLIGRTAFGGARGEDAMECLKRILLHIGRFQPGAADRCPRCSPGKTKPTACGRERSGVKAESVAFECGDHVSDPQAGGLRESQISHPGLGGQQEYGCQCCGGTLGSLDSRRKKEMREARDRVCCPEVFTVERQTSAADSVMLDLEEMDLQGRTALHLACSFGVSPVAELLLHAGASPWARRLGLGQLPIHSAIDADDPACCLLLLRHTLPCRFFVNFSCICGRRCDSGATGGRQAPVNTLALKRSPAATKFVFQLVRRCVRRGAWRCFRALLLYPTESSACFSGSVEGGDKAEGLQPGGSNSAASRRCEVENLGRKEDACERQGGRVRCVTKDVAASWCSGLHGLLDGEVRAWLYLREEARRAGALLDLKEQLQRVVTTSPACCQAAAASWTAVPASPCDGHKFGVKSESETGLLLSLFGTHGDAEGKTAKRGEGRTMVVTHALCLEHLPLPEPADMPLKRHKLMQRFPENPSRLEVVTSDRCGILRTREFSPLLWMDDPMPASLSDILRVHSMSYIARLKLRVEDAFGISTRLPSLSPPLSYAPGQTAAAATATGAEALAAAAAALDSKLQKEQYEKQKRQQIENVGSAGRYSFVFADGDTPVTCFSWAAAVHAAGAVIAAVDAVCERKCRNAFCAVRPPGHHLGNWGAAQTASNQLTDEDIAAGSQGFCLLNNVAIGAAYAKYNYARKGIRRIAIVDFDVHHGNGTEQIIRNVGMKIRKVKQPQGAALRLYRRAADELRGTSTLVSSNLSRDAPAAGDNSAHCGPDPCEVDATGSEKTPSQGYHVGDGGKVSAALPPQLAGPVDVPQWMGWRDERDAEELFFASIHAFDGTFYPGTGADCEDFSGPVVINVNILPHPTGPSLHKCCRCQKCSGRPCAGGAHRRCPRGRDAGVSYANASPMEVEMAARTPDVPVQVSWSCHFCRHPTLAPSSVAARRLFLKRIIRPLLRFGPDLLFISAGFDGHAQDQIGGAFGGFAEEDFRFFTHALVRCAERTCEGRVVSVLEGGYSVSGGVSSTLAASVKEHLRGLMRTPAGGSCFAGALGSEQPGNEAHEAAPRESSLSFPGKNGWEEDIEVGDAATSDVTASDVEESWQLIEGENTGMDGADSSDALLDEGSRRNGSDDGPSADALSHRRPREAKTLDGCASPGPHSSTETASEASGHCEREHSADFPPGADACRSRGTEHRSPTNAFASSASAPSAQRYGDSATVNNNDLLTLRALCRGTDGCLR |
Consensus
[pKd Mean = 3.24] | - | 837
(s=111) | 17
(s=3) | MVDASEGSSKEEEAGHVPHVEVESARNCGEAWTKTRSSPFTSVWHISGETGAAAGHCREGSLHKLIATNNISGVRLWLSNPFCRSMINDLNHAGETPLHVAVQCCSPRILSLLLDPPPLQISPSLLASCSLRLPRPLAGTAEPPSGAPASSNEGAPLGGSAEEVADAGVASLKTQQPFSAETAISSVVATDAAAACDQLAMAAAARVDFSLSVDGIPTLHLLIGRTAFGGARGEDAMECLKRILLHIGRFQPGAADRCPRCSPGKTKPTACGRERSGVKAESVAFECGDHVSDPQAGGLRESQISHPGLGGQQEYGCQCCGGTLGSLDSRRKKEMREARDRVCCPEVFTVERQTSAADSVMLDLEEMDLQGRTALHLACSFGVSPVAELLLHAGASPWARRLGLGQLPIHSAIDADDPACCLLLLRHTLPCRFFVNFSCICGRRCDSGATGGRQAPVNTLALKRSPAATKFVFQLVRRCVRRGAWRCFRALLLYPTESSACFSGSVEGGDKAEGLQPGGSNSAASRRCEVENLGRKEDACERQGGRVRCVTKDVAASWCSGLHGLLDGEVRAWLYLREEARRAGALLDLKEQLQRVVTTSPACCQAAAASWTAVPASPCDGHKFGVKSESETGLLLSLFGTHGDAEGKTAKRGEGRTMVVTHALCLEHLPLPEPADMPLKRHKLMQRFPENPSRLEVVTSDRCGILRTREFSPLLWMDDPMPASLSDILRVHSMSYIARLKLRVEDAFGISTRLPSLSPPLSYAPGQTAAAATATGAEALAAAAAALDSKLQKEQYEKQKRQQIENVGSAGRYSFVFADGDTPVTCFSWAAAVHAAGAVIAAVDAVCERKCRNAFCAVRPPGHHLGNWGAAQTASNQLTDEDIAAGSQGFCLLNNVAIGAAYAKYNYARKGIRRIAIVDFDVHHGNGTEQIIRNVGMKIRKVKQPQGAALRLYRRAADELRGTSTLVSSNLSRDAPAAGDNSAHCGPDPCEVDATGSEKTPSQGYHVGDGGKVSAALPPQLAGPVDVPQWMGWRDERDAEELFFASIHAFDGTFYPGTGADCEDFSGPVVINVNILPHPTGPSLHKCCRCQKCSGRPCAGGAHRRCPRGRDAGVSYANASPMEVEMAARTPDVPVQVSWSCHFCRHPTLAPSSVAARRLFLKRIIRPLLRFGPDLLFISAGFDGHAQDQIGGAFGGFAEEDFRFFTHALVRCAERTCEGRVVSVLEGGYSVSGGVSSTLAASVKEHLRGLMRTPAGGSCFAGALGSEQPGNEAHEAAPRESSLSFPGKNGWEEDIEVGDAATSDVTASDVEESWQLIEGENTGMDGADSSDALLDEGSRRNGSDDGPSADALSHRRPREAKTLDGCASPGPHSSTETASEASGHCEREHSADFPPGADACRSRGTEHRSPTNAFASSASAPSAQRYGDSATVNNNDLLTLRALCRGTDGCLR |