Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | LVIENRDFIQISTEKIKKEINN-QKLVEMYKRCMENTLDTTIKIRDSGLTFILTGDIPAMWLRDSVCQVRPFLIFAKENEEIESMLIGLSKEQVSLVEIDPYANAFNETP-NGAGHQADKTEMHPQVWERKYEIDSLCYPIQLAYLIWKITGRTEQFDAAFFKMLQTIFALWEVEQHHETKSPYRFERLDCVPSDTLKRNGLGTETAYTGMLWSGFRPSDDACEYGYLIPSNMFAVVVLGYAKEIIEAFYPS-EIETIKQAATLQNDIQLGIEKFGTYNHPTFGEIFAFEVDGLGNQLLMDDANVPSLLSMPIIEYLEKESPIYQNTRKFILSKSNPYYFEGKLAKGIGSPHTPAGYIWPIGLAIQGLTASDKSEKLEILQMLLRTDAGTGLMHESFHPDYPEDFTREWFSWANMMFCELVLDVAGFRMANVLKN |
3QRY Chain:B ((4-426)) | ----SKEIVREWLDEVAERAKDYPEWVDVFERCYTDTLDNTVEILEDGSTFVLTGDIPAMWLRDSTAQLRPYLHVAKRDALLRQTIAGLVKRQMTLVLKDPYANSFNIEENWKGHHETDHTDLNGWIWERKYEVDSLCYPLQLAYLLWKETGETSQFDEIFVAATKEILHLWTVEQDH-KNSPYRFVRDTDRKEDTLVNDGFGPDFAVTGMTWSAFRPSDDCCQYSYLIPSNMFAVVVLGYVQEIFAALNLADSQSVIADAKRLQDEIQEGIKNYAYTTNSKGEKIYAFEVDGLGNASIMDDPNVPSLLAAPYLGYCSVDDEVYQATRRTILSSENPYFYQGEYASGLGSSHTFYRYIWPIALSIQGLTTRDKAEKKFLLDQLVACDGGTGVMHESFHVDDPTLYSREWFSWANMMFCELVLDYLDIR------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QRY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -230597 for 3789 contacts (-60.9/contact) +
2D Compatibility (PS) -45136 + (NN) -29543 + (LL) 1404
1D Compatibility (HY) -41600 + (ID) 10750
Total energy: -356222.0 ( -94.01 by residue)
QMean score : 0.491
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