Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKQKVMATLLLSTLVLSLSSPLVTLAETINPETSLTMATASTESSSEAEKQEKTQPTDSETASPSAEGSISTEKTEIGTTETSSSNESSSSSSHQSSSNEDAKTSDSASTASTPSTNTTNSSQADSKPGQSTKTELKPEPTLPLVEPKITPAPSQIESVQTNQNASVPALSFDDNLLSTPISPVTATPFYVEHWSGQDAYSHYLLSHRYGIKAEQLDGYLKSLGIQYDSNRINGAKLLQWEKDSGLDVRAIVAIAVLESSLGTQGVAKMPGANMFGYGAFDHDSSHASAYNDEEAIMLLTKNTIIKNNNSSFEIQDLKAQKLSSGQLNTVTEGGVYYTDNSGTGKRRAQIMEDLDRWIDQHGGTPEIPAALKALSTASLADLPSGFSLSTAVNTASYIASTYPWGECTWYVFNRAKELGYTFDPFMGNGGDWQHK---AGFETTHSPKVGYAVSFSPGQAGADGTYGHVAIVEEVKKDGSVLISESNAMG-RGIVSYRTFSSAQAAQLTYVIGHK |
2K3A Chain:A ((45-155)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGSSANLYTAGQCTWYVYDKV---GGNIGSTWGNANNWASAASSAGYTVNNSPEAGSILQSTAG------GYGHVAYVENVNSDGSVEVSEMNYNGGPFSVSERTISAGEASSYNYIHLN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2K3A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -55671 for 775 contacts (-71.8/contact) +
2D Compatibility (PS) -12004 + (NN) -8245 + (LL) 20044
1D Compatibility (HY) -4000 + (ID) 2050
Total energy: -61926.0 ( -79.90 by residue)
QMean score : 0.507
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