Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKVSTLDLLFVAIMGVSPAAFAADLIDVSKLPSKAAQGAPGPVTLQAAVGAGGADELKAIRSTTLPNGKQVTRYEQFHNGVRVVGEAITEVKGPGKSVAAQRSGHFVANIAADLPGSTTAAVSAEQVLAQAKSLKAQGRKTENDKVELVIRLGENNIAQLVYNVSYLIPGEGLSRPHFVIDAKTGEVLDQWEGLAHAEAGGPGGNQKIGKYTYGSDYGPLIVN---DRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCPSAL |
3NQX Chain:A ((2-299)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NATGPGGNLKTGKYLYGTDFDSLDVSQSGNTCSMNNANVRTINLNGGTS--GSSAYSFTCPENTFKEINGAYSPLNDAHFFGNVIFNMYNDWLGTAPLSFQLQMRVHYSSNYENAFWDGSAMTFGDGQNTFYPLVSLDVSAHEVSHGFTEQNSGLIYNGKPGGLNEAFSDMAGEAAEFYMKGSNDWLVGKDIFKGNGALRYMNNPTQDGRSIDNQSNYYSGMDVHYSSGVYNKAFYNLATTPGWDTQKAFIVMARANQLYWSAGVGWDLAGNGVMDAACDLNYDPNDVKAALAAVGVNSN--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NQX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130081 for 2770 contacts (-47.0/contact) +
2D Compatibility (PS) -31268 + (NN) -9222 + (LL) 13448
1D Compatibility (HY) -29600 + (ID) 8950
Total energy: -195673.0 ( -70.64 by residue)
QMean score : 0.704
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