Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNSVGFYGKLAGRGDFVSRGLPNTFVEPWDAWLASGMRASQDELGAAWLDAYLTSPLWRFAIAPGLLGGEAVTGVVMPSIDRVGRYFPLTVACLLPANADLGGLVGGDDGWFEQVESLLLSTLEPEAEVEAFEQAVAQLPAPPCGPRIEQSLISGNLLRSEAVTPAQRLAALAQHACDGASHWWGRGSARISAGLMRYQGLPPAPAFGRFLTGEGEVIPLFPGIPG |
2WHN Chain:A ((54-87)) | --------RIPALERGPGLKDLAIFSRQLATMLGAGLTLLQA---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WHN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 125 for 136 contacts (0.9/contact) +
2D Compatibility (PS) -3523 + (NN) 946 + (LL) 10636
1D Compatibility (HY) -800 + (ID) 200
Total energy: 7184.0 ( 52.82 by residue)
QMean score : -0.369
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