Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSPATVLDSILEGVRADVAAREASVSLSEIKAAAAAAPPPLDVMAALREPGIGVIAEVKRASPSAGALATIADPAKLAQAYQDGGARIVSVVTEQRRFQGSLDDLDAVRASVSIPVLRKDFVVQPYQIHEARAHGADMLLLIVAALEQSVLVSMLDRTESLGMTALVEVHTEQEADRALKAGAKVIGVNARDLMTLDVDRDCFARIAPGLPSSVIRIAESGVRGTADLLAYAGAGADAVLVGEGLVTSGDPRAAVADLVTAGTHPSCPKPAR |
1PII Chain:A ((1-254)) | --MQTVLAKIVADKAIWVEARKQQQPLASFQNEV--QPSTRHFYDALQGARTAFILECKKASPSKGVIRDDFDPARIAAIYK-HYASAISVLTDEKYFQGSFNFLPIVSQIAPQPILCKDFIIDPYQIYLARYYQADACLLMLSVLDDDQYRQLAAVAHSLEMGVLTEVSNEEEQERAIALGAKVVGINNRDLRDLSIDLNRTRELAPKLGHNVTVISESGINTYAQVRELS-HFANGFLIGSALMAHDDLHAAVRRVLL------------ |
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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) -173626 for 2197 contacts (-79.0/contact) +
2D Compatibility (PS) -27141 + (NN) -8211 + (LL) 204
1D Compatibility (HY) -18400 + (ID) 4400
Total energy: -231574.0 ( -105.40 by residue)
QMean score : 0.565
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