Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQQPDPCNAYHTDEQRWAAVLARDAAADGAFVYAVKTTGVYCRPSSSARRPRRENVEFFATAEAAEAAGYRPSRRAAGDRSLAAEQRAERVAQACRMIETAETPPALEALAARLGMSPFHFHRLFKAETGLTPKAYASAYRARRLRERLGQASASVTEAIYDSGFNSNSRFYESSSQRLGMRPRDYRDGGAGAAIRFAIGQCSLGAILVAQSQRGICAILLGEEPEPLLRELQDQFPRAQLLGGDADFERLVAQVVGFVESPQLGLDLPLDVRGTAFQERVWQALREIPPGSTASYAQVAERIGAPRAVRAVAQACAANRIAVAIPCHRVVRRDGDISGYRWGVERKRELLRREERD |
1SFE Chain:A ((12-176)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LAVRYALADCELGRCLVAESERGICAILLGDDDATLISELQQMFPAADNAPADLMFQQHVREVIASLNQRDTPLTLPLDIRGTAFQQQVWQALRTIPCGETVSYQQLANAIGKPKAVRAVASACAANKLAIVIPCHRVVRGDGSLSGYRWGVSRKAQLLRREAEN |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SFE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127134 for 1269 contacts (-100.2/contact) +
2D Compatibility (PS) -18202 + (NN) -11990 + (LL) 12728
1D Compatibility (HY) -17600 + (ID) 4700
Total energy: -166898.0 ( -131.52 by residue)
QMean score : 0.713
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