| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: SAP_A_3(2IUT) / Model_4(2IUT/A) = [4.0]
| Download | 1152.74 | 8.80 | MHKLIIKYNKQLKMLNLRDGKTYTISEDERADITLKSLGEVIHLEQNNQGTWQANHTSINKVLVRKGDLDDITLQLYTEADYASFAYPSIQDTMTIGPNAYDDMVIQSLMNAIIIKDFQSIQESQYVRIVHDKNTDVYINYELQEQLTNKAYIGDHIYVEGIWLEVQADGLNVLSQNTVASSLIRLTQEMPHAQADDYNTYHRSPRIIHREPTDDIKIERPPQPIQKNNTVIWRSIIPPLVMIALTVVIFLVRPIGIYILMMIGMSTVTIVFGITTYFSEKKKYNKDVEKREKDYKAYLDNKSKEINKAIKAQRFSLNYHYPTVAEIKDIVETKAPRIYEKTSHHHDFLHYKLGIANVEKSFKLDYQEEEFNQRRDELFDDAKELYEFYTDVEQAPLINDLNHGPIAYIGARHLILEELEKMLIQLSTFHSYHDLEFLFVTREDEVETLKWARWLPHMTLRGQNIRGFVYNQRTRDQILTSIYSMIKERIQAVRERSRSNEQIIFTPQLVFVITDMSLIIDHVILEYVNQDLSEYGISLIFVEDVIESLPEHVDTIIDIKSRTEGELITKEKELVQLKFTPENIDNVDKEYIARRLANLIHVEHLKNAIPDSITFLEMYNVKEVDQLDVVNRWRQNETYKTMAVPLGVRGKDDILSLNLHEKAHGPHGLVAGTTGSGKSEIIQSYILSLAINFHPHEVAFLLIDYKGGGMANLFKDLVHLVGTITNLDGDEAMRALTSIKAELRKRQRLFGEHDVNHINQYHKLFKEGVATEPMPHLFIISDEFAELKSEQPDFMKELVSTARIGRSLGIHLILATQKPSGVVDDQIWSNSKFKLALKVQDRQDSNEILKTPDAADITLPGRAYLQVGNNEIYELFQSAWSGATYDIEGDKLEVEDKTIYMINDYGQLQAINKDLSGLEDEETKENQTELEAVIDHIESITTRLEIEEVKRPWLPPLPENVYQEDLVETDFRKLWSDDAKEVELTLGLKDVPEEQYQGPMVLQLKKAGHIALIGSPGYGRTTFLHNIIFDVARHHRPDQAHMYLFDFGTNGLMPVTDIPHVADYFTVDQEDKIAKAIRIFNDEIDRRKKILSQYRVTSISEYRKLTGETIPYVFILIDNFDAVKDSPFQEVFENMMIKMTREGLALDMQVTLTASRANAMKTPMYINMKTRIAMFLYDKSEVSNVVGQQKFAVKDVVGRALLSSDDNVSFHIGQPFKHDETKSYNDQINDEVSAMTEFYKGETPNDIPMMPDEIKYEDYRESLSLPDIVANGALPIGLDYEGVTLQKIKLTEPAMISSENPREIAHIAEIMMKEIDILNEKYAICIADSSGEFKAYRHQVANFAEEREDIKAIHQLMIEDLKQREMDGPFEKDSLYIINDFKTYIDCTYIPEDDVKKLITKGPELGLNILFVGIHKELIDAYDKQIDVARKMINQFSIGIRISDQQFFKFRFIQREPVIKENEAYMVANQAYQKIRWFK |
| Complex: SAP_B_6(2IUT) / Model_13(2IUT/B) = [4.3]
| Download | 788.49 | 14.44 | MHKLIIKYNKQLKMLNLRDGKTYTISEDERADITLKSLGEVIHLEQNNQGTWQANHTSINKVLVRKGDLDDITLQLYTEADYASFAYPSIQDTMTIGPNAYDDMVIQSLMNAIIIKDFQSIQESQYVRIVHDKNTDVYINYELQEQLTNKAYIGDHIYVEGIWLEVQADGLNVLSQNTVASSLIRLTQEMPHAQADDYNTYHRSPRIIHREPTDDIKIERPPQPIQKNNTVIWRSIIPPLVMIALTVVIFLVRPIGIYILMMIGMSTVTIVFGITTYFSEKKKYNKDVEKREKDYKAYLDNKSKEINKAIKAQRFSLNYHYPTVAEIKDIVETKAPRIYEKTSHHHDFLHYKLGIANVEKSFKLDYQEEEFNQRRDELFDDAKELYEFYTDVEQAPLINDLNHGPIAYIGARHLILEELEKMLIQLSTFHSYHDLEFLFVTREDEVETLKWARWLPHMTLRGQNIRGFVYNQRTRDQILTSIYSMIKERIQAVRERSRSNEQIIFTPQLVFVITDMSLIIDHVILEYVNQDLSEYGISLIFVEDVIESLPEHVDTIIDIKSRTEGELITKEKELVQLKFTPENIDNVDKEYIARRLANLIHVEHLKNAIPDSITFLEMYNVKEVDQLDVVNRWRQNETYKTMAVPLGVRGKDDILSLNLHEKAHGPHGLVAGTTGSGKSEIIQSYILSLAINFHPHEVAFLLIDYKGGGMANLFKDLVHLVGTITNLDGDEAMRALTSIKAELRKRQRLFGEHDVNHINQYHKLFKEGVATEPMPHLFIISDEFAELKSEQPDFMKELVSTARIGRSLGIHLILATQKPSGVVDDQIWSNSKFKLALKVQDRQDSNEILKTPDAADITLPGRAYLQVGNNEIYELFQSAWSGATYDIEGDKLEVEDKTIYMINDYGQLQAINKDLSGLEDEETKENQTELEAVIDHIESITTRLEIEEVKRPWLPPLPENVYQEDLVETDFRKLWSDDAKEVELTLGLKDVPEEQYQGPMVLQLKKAGHIALIGSPGYGRTTFLHNIIFDVARHHRPDQAHMYLFDFGTNGLMPVTDIPHVADYFTVDQEDKIAKAIRIFNDEIDRRKKILSQYRVTSISEYRKLTGETIPYVFILIDNFDAVKDSPFQEVFENMMIKMTREGLALDMQVTLTASRANAMKTPMYINMKTRIAMFLYDKSEVSNVVGQQKFAVKDVVGRALLSSDDNVSFHIGQPFKHDETKSYNDQINDEVSAMTEFYKGETPNDIPMMPDEIKYEDYRESLSLPDIVANGALPIGLDYEGVTLQKIKLTEPAMISSENPREIAHIAEIMMKEIDILNEKYAICIADSSGEFKAYRHQVANFAEEREDIKAIHQLMIEDLKQREMDGPFEKDSLYIINDFKTYIDCTYIPEDDVKKLITKGPELGLNILFVGIHKELIDAYDKQIDVARKMINQFSIGIRISDQQFFKFRFIQREPVIKENEAYMVANQAYQKIRWFK |
Consensus
[pKd Mean = 4.15] | - | 970
(s=182) | 11
(s=2) | MHKLIIKYNKQLKMLNLRDGKTYTISEDERADITLKSLGEVIHLEQNNQGTWQANHTSINKVLVRKGDLDDITLQLYTEADYASFAYPSIQDTMTIGPNAYDDMVIQSLMNAIIIKDFQSIQESQYVRIVHDKNTDVYINYELQEQLTNKAYIGDHIYVEGIWLEVQADGLNVLSQNTVASSLIRLTQEMPHAQADDYNTYHRSPRIIHREPTDDIKIERPPQPIQKNNTVIWRSIIPPLVMIALTVVIFLVRPIGIYILMMIGMSTVTIVFGITTYFSEKKKYNKDVEKREKDYKAYLDNKSKEINKAIKAQRFSLNYHYPTVAEIKDIVETKAPRIYEKTSHHHDFLHYKLGIANVEKSFKLDYQEEEFNQRRDELFDDAKELYEFYTDVEQAPLINDLNHGPIAYIGARHLILEELEKMLIQLSTFHSYHDLEFLFVTREDEVETLKWARWLPHMTLRGQNIRGFVYNQRTRDQILTSIYSMIKERIQAVRERSRSNEQIIFTPQLVFVITDMSLIIDHVILEYVNQDLSEYGISLIFVEDVIESLPEHVDTIIDIKSRTEGELITKEKELVQLKFTPENIDNVDKEYIARRLANLIHVEHLKNAIPDSITFLEMYNVKEVDQLDVVNRWRQNETYKTMAVPLGVRGKDDILSLNLHEKAHGPHGLVAGTTGSGKSEIIQSYILSLAINFHPHEVAFLLIDYKGGGMANLFKDLVHLVGTITNLDGDEAMRALTSIKAELRKRQRLFGEHDVNHINQYHKLFKEGVATEPMPHLFIISDEFAELKSEQPDFMKELVSTARIGRSLGIHLILATQKPSGVVDDQIWSNSKFKLALKVQDRQDSNEILKTPDAADITLPGRAYLQVGNNEIYELFQSAWSGATYDIEGDKLEVEDKTIYMINDYGQLQAINKDLSGLEDEETKENQTELEAVIDHIESITTRLEIEEVKRPWLPPLPENVYQEDLVETDFRKLWSDDAKEVELTLGLKDVPEEQYQGPMVLQLKKAGHIALIGSPGYGRTTFLHNIIFDVARHHRPDQAHMYLFDFGTNGLMPVTDIPHVADYFTVDQEDKIAKAIRIFNDEIDRRKKILSQYRVTSISEYRKLTGETIPYVFILIDNFDAVKDSPFQEVFENMMIKMTREGLALDMQVTLTASRANAMKTPMYINMKTRIAMFLYDKSEVSNVVGQQKFAVKDVVGRALLSSDDNVSFHIGQPFKHDETKSYNDQINDEVSAMTEFYKGETPNDIPMMPDEIKYEDYRESLSLPDIVANGALPIGLDYEGVTLQKIKLTEPAMISSENPREIAHIAEIMMKEIDILNEKYAICIADSSGEFKAYRHQVANFAEEREDIKAIHQLMIEDLKQREMDGPFEKDSLYIINDFKTYIDCTYIPEDDVKKLITKGPELGLNILFVGIHKELIDAYDKQIDVARKMINQFSIGIRISDQQFFKFRFIQREPVIKENEAYMVANQAYQKIRWFK |