Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKVSTLDLLFVAIMGVSPAAFAADLIDVSKLPSKAAQGAPGPVTLQAAVGAGGADELKAIRSTTLPNGKQVTRYEQFHNGVRVVGEAITEVKGPGKSVAAQRSGHFVANIAADLPGSTTAAVSAEQVLAQAKSLKAQGRKTENDKVELVIRLGENNIAQLVYNVSYLIPGEGLSRPHFVIDAKTGEVLDQWEGLAHAEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHK-----LYMKVHYGRSVENAYWDGTAMLFGDG-ATMFYPLVS-LDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKK---GSGALRYMDQPSRDGRSIDNASQYYNGID----VHHSSGVYNRAFYLLANS--------PGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQN----RNYSAADVTRAFSTVGVTCPSAL |
1THL Chain:A ((68-315)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------APAVDAHYYAGVTYDYYKNVH--NRLSYDGNNAAIRSSVHYSQGYNNAFWNGSEMVYGDGDGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEIGEDVYTPGISGDSLRSMSDPAKYGDP-DHYSKRYTGTQDNGGVHINSGIINKAAYLISQGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQAFDAVGV------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1THL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86492 for 1915 contacts (-45.2/contact) +
2D Compatibility (PS) -23024 + (NN) 445 + (LL) 14880
1D Compatibility (HY) -14800 + (ID) 4150
Total energy: -113141.0 ( -59.08 by residue)
QMean score : 0.570
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