Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRVIDTHCDALYKLQAGKGKYTFQDAEELDVNFERLIEAKMLLQGFAIFLDEDIPVEHKWKKAVEQVNIFKQHVLHKGGIIHHVKKWCDLENLPEDKIGAMLTLEGIEPIGRDLDKLTQLLDGGVLSVGLTWNNANLAADGIMEERGAGLTRFGKDIIHLLNERKVFTDVSHLSVKAFWETLEQAEFVIASHSSAKAICAHPRNLDDEQIKAMIEHDAMIHVIFHPLFTTNDGVADIEDVIRHIDHICELGGMKNIGFGSDFDGIPDHVKGLEHAGKYQNFLETLGKHYTKEEVEGFASRNFLNHLPK |
3NEH Chain:A ((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) -221895 for 2815 contacts (-78.8/contact) +
2D Compatibility (PS) -32895 + (NN) -10410 + (LL) 0
1D Compatibility (HY) -43200 + (ID) 14800
Total energy: -323200.0 ( -114.81 by residue)
QMean score : 0.527
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