Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRNEVLLNGDINFKEVRCVGDNGEVYGIISSKEALKIAQNLGLDLVLISASAKPPVCKVMDYNKFRYQNEKKIKEAKKKQKQIEIKEIKLSTQIAQNDINYKVKHAREFIESNKHVKFKVVLKGRESQNSKAGLDVLFRVQTMMQDLANPEKEP-KTEGRFVSWMFVPKAKEAPKNEKKTKENNPPFNRINLMKGENHAKNED |
2IFE Chain:A ((95-180)) | ---------------------------------------------------------------------------------------EIKFRPGTDEGDYQVKLRSLIRFLEEGDKAKITLRFRGREMAHQQIGMEVLNRVKDDLQELAVVESFPTKIEGRQMIMVLAPKKKQ------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IFE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -33504 for 595 contacts (-56.3/contact) +
2D Compatibility (PS) -9094 + (NN) -4998 + (LL) 7032
1D Compatibility (HY) -5200 + (ID) 1400
Total energy: -47164.0 ( -79.27 by residue)
QMean score : 0.453
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