Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLTEQEKDIIKQTVPLLKEKGTEITSIFYPKMFKAHPELLNMFNQTNQKRGMQSSALAQAVMAAAVNIDNLSVIKPVIMPVAYKHCALQVYAEHYPIVGENLLKAIQDVTGLEEHDPVIQAWAKAYGVIADVFIQIEKEIYDQM-----MWIGFKPFKITNIKQESEDIKSFTVETEE-YDFSEFTPGQYITVDVSSDKLPYRAKRHYSIVSGE-KNHLTFGVKRDVTT-EHEGEVSTILHDEIKEGDMINLAAPVGGFVLENT-TEPQLFLGSGIGVTPLVAMYEAASAKG-LDTQMVQVAENEQHLPFKDNFNSIAS-HYDNAKLYTHLKDK------------QGYIGTEELQAFLA-NKPEIYICGGTKFLQSMIEALKSLNYDMDRVHYETFIPRLSVAV |
1CQX Chain:A ((1-400)) | MLTQKTKDIVKATAPVLAEHGYDIIKCFYQRMFEAHPELKNVFNMAHQEQGQQQQALARAVYAYAENIEDPNSLMAVLKNIANKHASLGVKPEQYPIVGEHLLAAIKEVLGNAATDDIISAWAQAYGNLADVLMGMESELYERSAEQPGGWKGWRTFVIREKRPESDVITSFILEPADGGPVVNFEPGQYTSVAIDVPALGLQQIRQYSLSDMPNGRTYRISVKREGGGPQPPGYVSNLLHDHVNVGDQVKLAAPYGSFHIDVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYEN-LDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLPDADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDL---- |
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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) -185569 for 2867 contacts (-64.7/contact) +
2D Compatibility (PS) -39688 + (NN) -4624 + (LL) 420
1D Compatibility (HY) -28800 + (ID) 6900
Total energy: -265161.0 ( -92.49 by residue)
QMean score : 0.485
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