Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGWRLLLTRPDEECA---ALAASLGEAGVHSSSLPLLAIDPLEETPEQRTLMLDLDRYCAVVVVSKPAARLGLERLDRYWPQPPQQT----------WCSVGAATAAILEAYGLDVTYPEQGDDSEALLALPAFQDSLRVHDPKVLIMRGEGGREFLAERLRGQGVQVDYLPLYRRRAPDYPAGELLARVRAE-RLNGLVVSSGQGLQNLYQLAAAD-WPEIGRLPLFVPSPRVAEMARELGAQRVIDCRGASAPALLAALTSAA- |
1JR2 Chain:A ((1-260)) | --MKVLLLKDAKEDDCGQDPYIRELGLYGLEATLIPVLSFEF-LSLPSFSEKLSHPEDYGGLIFTSPRAVEAAELCLEQNNKTEVWERSLKEKWNAKSVYVVGNATASLVSKIGLDTEGETCGNAEKLAEYICSRESS----ALPLLFPCGNLKREILPKALKDKGIAMESITVYQTVAHPGIQGNLNSYYSQQGVPASITFFSPSGLTYSLKHIQELSGDNIDQIKFAAIGPTTARALAAQGLPVSCTAESPTPQALATGIRKALQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1JR2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -123546 for 1896 contacts (-65.2/contact) +
2D Compatibility (PS) -26973 + (NN) -10646 + (LL) 868
1D Compatibility (HY) -5600 + (ID) 2250
Total energy: -168147.0 ( -88.69 by residue)
QMean score : 0.516
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