Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVIDTHCDALYKLQAGKGKYTFQDAEELDVNFERLIEAKMLLQGFAIFLDEDIPVEHKWKKAVEQVNIFKQHVLHKGGIIHHVKKWCDLENLPEDKIGAMLTLEGIEPIGRDLDKLTQLLDGGVLSVGLTWNNANLAADGIMEERGAGLTRFGKDIIHLLNERKVFTDVSHLSVKAFWETLEQAEFVIASHSSAKAICAHPRNLDDEQIKAMIEHDAMIHVIFHPLFTTNDGVADIEDVIRHIDHICELGGMKNIGFGSDFDGIPDHVKGLEHAGKYQNFLETLGKHYTKEEVEGFASRNFLNHLPK |
3NEH Chain:B ((3-310)) | LRVIDTHCDALYKLQAGKGKYTFQDAEELDVNFERLIEAKMLLQGFAIFLDEDIPVEHKWKKAVEQVNIFKQHVLHKGGIIHHVKKWCDLENLPEDKIGAMLTLEGIEPIGRDLDKLTQLLDGGVLSVGLTWNNANLAADGIMEERGAGLTRFGKDIIHLLNERKVFTDVSHLSVKAFWETLEQAEFVIASHSNAKAICSHPRNLDDEQIKAMIEHDAMIHVVFYPLFTTNNGVADTEDVIRHIDHICELGGLKNIGFGSDFDGIPDHVKGLEHVGKYQSFLETLEKHYTKEEIEGFASRNFLNHLPK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -226561 for 2808 contacts (-80.7/contact) +
2D Compatibility (PS) -32961 + (NN) -11504 + (LL) 0
1D Compatibility (HY) -43200 + (ID) 14800
Total energy: -329026.0 ( -117.17 by residue)
QMean score : 0.524
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