Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNSVGFYGKLAGRGDFVSRGLPNTFVEPWDAWLASGMRASQDELGAAWLDAYLTSPLWRFAIAPGLLGGEAVTGVVMPSIDRVGRYFPLTVACLLPANADLG-GLVGGDDGWFEQVESLLLSTLEPEAEVEAFEQAVAQLPAPPCGPRIEQSLISGNLLRSEAVTPAQRLAALAQHACDGASHWWGRGSARISAGLMRYQGLPPAPAFGRFLTGEGEVIPLFPGIPG |
2KPQ Chain:A ((24-76)) | -------------------------------------------------------------------------------------GAPRIFNGVYEAFDFLQHEWPARGDRAHEQALRLCRASLMGDVAGEIARTAFVAASRQAHCLMEDKAEAPNTIASGS----------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KPQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -16396 for 280 contacts (-58.6/contact) +
2D Compatibility (PS) -5532 + (NN) -3192 + (LL) 8072
1D Compatibility (HY) 800 + (ID) 500
Total energy: -16748.0 ( -59.81 by residue)
QMean score : 0.313
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