Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPSVLENILKDKLLEVAVLKKNHALP---INIAPSDRDFKKALLEKKTSFILEYKKASPSKGLIRKDFDLLEITKTYEKFASCVSVLADSKYFLGSYENIKIVSQHSTKPILCKDFIIDAFQIKLARVMGSNAVLLMLSVLDDKNYLELFNLAKSLNMSVLTEVSNQQEIERLLKLQYDIIGINNRDLHTLKTDIFHTLELRPLLPKDAIIISESGIYSHAQIKALAPCVNGFLVGSSLMKEKDLKKACIKLILGENKVCGLTRIKDAKAVYKNHFIYGGLIFEKSSPRYIKPKEALKITKAVKKLDFVGVFVKDKIKKIAKIAKKLDLKAVQLYGYS-QKEIAQLKKSLPKTCAIWQVVSVADSKDLAPKTKEASLILYDTKGDKMGGNGVSFDWEILENA-KTPFMLAGGLNLDNIQKALKIKALGLDFNSGLEISPGIKNKDKIKQLARILREY |
1PII Chain:A ((1-452)) | MQTVLAKIVADKAIWVEARKQQQPLASFQNEVQPSTRHFYDALQGARTAFILECKKASPSKGVIRDDFDPARIAAIYKHYASAISVLTDEKYFQGSFNFLPIVSQIAPQPILCKDFIIDPYQIYLARYYQADACLLMLSVLDDDQYRQLAAVAHSLEMGVLTEVSNEEEQERAIALGAKVVGINNRDLRDLSIDLNRTRELAPKLGHNVTVISESGINTYAQVRELSHFANGFLIGSALMAHDDLHAAVRRVLLGENKVCGLTRGQDAKAAYDAGAIYGGLIFVATSPRCVNVEQAQEVMAAA-PLQYVGVFRNHDIADVVDKAKVLSLAAVQLHGNEEQLYIDTLREALPAHVAIWKALSVGETLPAREFQHVDKYVLDNG----QGGSGQRFDWSLLNGQSLGNVLLAGGLGADNCVEAAQTGCAGLDFNSAVESQPGIKDARLLASVFQTLRAY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PII.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -299364 for 3895 contacts (-76.9/contact) +
2D Compatibility (PS) -48404 + (NN) -26198 + (LL) -56
1D Compatibility (HY) -36800 + (ID) 10450
Total energy: -421272.0 ( -108.16 by residue)
QMean score : 0.503
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