Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSEPLEPNQDVIIPRSRDSLGRPVYKAQLTRTDNQSEKVALIRQTAPLPVIFIPGIMGTNLRNKADKSEVWRPPNGLWPMDDLFASIGALWTWAWRGPKARQELLKAEQVEVDDQGTIDVGQSGLSEEAARLRGWGKVMRSAYNPVMGLMERRLDNIVSRRELQAWWNDEALSPPGDQGEEQGKVGPIDEEELLRASRYQFDVWCAGYNWLQSNRQSALDVRDYIENTVLPFYQKECGLDPEQMRRMKVILVTHSMGGLVARALTQLH----------GYERVLGVVHGVQPATGSSTIYHHMRCGYEGIAQVVLGRNAGEVTAIVANSAGALELAPSAEYREGRPWLFLCDAQGQVLKDIDGKPRAYPQNQDPYEEIYKNTTWYGLVPEQNSQYLDMSDKKEGLRVGPRDNFEDLIDSIANFHGELSAAGYHSETYAHYGADDSRHSWRDLIWKGDPTPLETPGATLNDDENGTYNSWFRRGLPTIVQGPLETGNPLDASGSGGDETVPTDSGQAPALAGVKASFRHGSKGKGQANTKRGYEHQESYNDARAQWAALYGVIKITQLADWHPNDKGGT |
3HC7 Chain:A ((52-126)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SVEKGVAELILQIELKLDAD------------PYADFAMAGYSQGAIVVGQVLKHHILPPTGRLHRFLHRLKKVIFWGNPMRQKGFAHSDEWIHPVAAPDTLGILEDRLENLEQYGFEVRDYAHDGDMYASIKEDDLHEYEVAIGRIVMKASGFIGGRDSVVAQLIELGQRPITEGIALAGAIIDALTFFARSRMGDKWPHLYNRYPAVEFLRQ-------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HC7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -22803 for 379 contacts (-60.2/contact) +
2D Compatibility (PS) -7085 + (NN) -1748 + (LL) 21160
1D Compatibility (HY) 0 + (ID) 500
Total energy: -10976.0 ( -28.96 by residue)
QMean score : 0.407
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