Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTEQEKDIIKQTVPLLKEKGTEITSIFYPKMFKAHPELLNMFNQTNQKRGMQSSALAQAVMAAAVNIDNLSVIKPVIMPVAYKHCALQVYAEHYPIVGENLLKAIQDVTGLEEHDPVIQAWAKAYGVIADVFIQIEKEIYDQMM-----WIGFKPFKITNIKQESEDIKSFTVETEEYD-FSEFTPGQYITVDVSSDKLPYRAKRHYSIVSGEKNHLTF--GVKRD-VTTEHEGEVSTILHDEIKEGDMINLAAPVGGFVLE-NTTEPQLFLGSGIGVTPLVAMYEAA-SAKGLDTQMVQVAENEQHLPFKDNFNSIASHYDNAKLYTHL-----KDKQG----YIGTEEL----QAFLANKPEIYICGGTKFLQSMIEALKSLNYDMDRVHYETFIPRLSVAV |
1CQX Chain:A ((1-400)) | MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSL-SDMPNGRTYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDL---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CQX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -182097 for 2805 contacts (-64.9/contact) +
2D Compatibility (PS) -39835 + (NN) -5525 + (LL) 692
1D Compatibility (HY) -29200 + (ID) 7450
Total energy: -263415.0 ( -93.91 by residue)
QMean score : 0.463
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