Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNT--SGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY |
1IN8 Chain:A ((19-326)) | ------------------LRPKSLDEFIGQENVKKKLSLALEAAKMRGEVLDHVLLAGPPGLGKTTLAHIIASELQTNIHVTSGPVLVKQGDMAAILTSLERGDVLFIDEIHRLNKAVEELLYSAIEDFQID---------------IQPFTLVGATVRSGLLSSPLRSRFGIILELDFYTVKELKEIIKRAASLMDVEIEDAAAEMIAKRSRGTPRIAIRLTKRVRDMLTVVKADRINTDIVLKTMEVLNIDDEGLDEFDRKILKTIIEIYRGGPVGLNALAASLGVEADTLSEVYEPYLLQAGFLARTPRGRIVTE--KAYKHLKY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IN8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -197490 for 2414 contacts (-81.8/contact) +
2D Compatibility (PS) -30850 + (NN) -5338 + (LL) 1916
1D Compatibility (HY) -30800 + (ID) 7400
Total energy: -269962.0 ( -111.83 by residue)
QMean score : 0.475
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