Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSATKYQRTLFEPEHELFRESYRAFLDRHVAPYHDEWEKTKIVDRGVWLEAGKQGFLGMAVPEEYGGGGNADFRYNTVITEETCAGRYSGIGFGLH-NDIVAPYLLALATEEQKRRWFPNFCTGELITAIAMTEPGTGSDLQGITTRAVKHGDHYVLNGSKTFITNGINSDLVIVVAQTDPEKGAQGFSLLVVERGMAGFERGRQLDKIGLDAQDTAELSFTDVAVPAENLLGQEGMGFIYLMQNLPQERISIAIMAAAGMESVLEQTLQYAKERKAFGRSIGSFQNSRFLLAELATEATVVRIMVDEFIKLHLAGKLTAEQAAMAKWYATEKQVYLNDRCLQLHGGYGYMREYPVARAYLDSRVQTIYGGTTEIMKEIIGRGLGV |
3R7K Chain:B ((31-402)) | -------------PERRALSQMARSFVEREIAPKLAEWEHVGEIPRDLHLNAAEVGLLGIGFPEEVGGSGGNAIDSALVTEAILAAGGSTGVCAALFTHGIALPHIAANGSDALIERYVRPTLAGKMIGSLGVTEPGAGSDVANLRTRAVREGDTYVVNGAKTFITSGVRADFVTTAVRTGG-PGYGGVSLLVIDKNSPGFEVSRRLDKMGWRCSDTAELSFVDVRVPADNLVGAENSGFLQIMQQFQAERLGIAVQAYATAGRALDLAKSWARERETFGRPLTGRQIIRHKLAEMARQVDVACTYTRAVMQRWLAGEDVVAEVSMAKNTAVYACDYVVNEAVQIFGGMGYMRESEIERHYRDCRILGIGGGTNEIMNEVIAKRIG- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R7K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188082 for 3232 contacts (-58.2/contact) +
2D Compatibility (PS) -39932 + (NN) -14966 + (LL) 1340
1D Compatibility (HY) -19200 + (ID) 7150
Total energy: -267990.0 ( -82.92 by residue)
QMean score : 0.470
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