Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRSISCSKEYAEDVRNLNIRPEQLDDFFGQKDLIQNLKVFINAAKTRTEALDHVLLHGPPGLGKTTLAQIISKELRVSFRATSGPLLNKAGDLAAVLTTLNAKDVLFIDEIHRLNRSIEEVLYTAMEDFCLDLLVGEGPSTRTLRIDLPPFTLVGATTRLGLLSAPLRDRFGIPLRLEFYSFEELVDIIKRGTKVFSAEIEEDAIQEIACRARGTPRIALRLLRRIRDFVEVKDNKKITHKIADSALSKLGIDKMGLNKLDVDYLRFLFNT--SGSVGIDTISIALSEDSGNIEETVEPYLVKISFVKRTPRGRVLTDQGKEYLSLQY |
1IN5 Chain:A ((19-326)) | ------------------LRPKSLDEFIGQENVKKKLSLALEAAKMRGEVLDHVLLAGPPGLGKTTLAHIIASELQTNIHVTSGPVLVKQGDMAAILTSLERGDVLFIDEIHRLNKAVEELLYSAIEDFQIDIM------------DIQPFTLVGSTTRSGLLSSPLRSRFGIILELDFYTVKELKEIIKRAASLMDVEIEDAAAEMIAKRSRGTPRIAIRLTKRVRDMLTVVKADRINTDIVLKTMEVLNIDDEGLDEFDRKILKTIIEIYRGGPVGLNALAASLGVEADTLSEVYEPYLLQAGFLARTPRGRIVTE--KAYKHLKY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IN5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188089 for 2419 contacts (-77.8/contact) +
2D Compatibility (PS) -31191 + (NN) -6396 + (LL) 1640
1D Compatibility (HY) -31600 + (ID) 7450
Total energy: -263086.0 ( -108.76 by residue)
QMean score : 0.477
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