Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSVELWQQCVDLLRDELPSQQFNTWIRPLQVEAEGDELRVYAPNRFVLDWVNEKYLGRLLELLGERGEGQLPALSLLIGSKRSRTPRAAIVPSQTHVAPPPPVAPPPAPVQPVSAAPVVVPREELPPVTTAPSVSSDPYEPEEPSIDPLAAAMPAGAAPAVRTERNVQVEGALKHTSYLNRTFTFENFVEGKSNQLARAAAWQVADNLKHGYNPLFLYGGVGLGKTHLMHAVGNHLLKKNPNAKVVYLHSERFVADMVKALQLNAINEFKRFYRSVDALLIDDIQFFARKERSQEEFFHTFNALLEGGQ-QVILTSDRYPKEIEGLEERLKSRFGWGLTVAVEPPELETRVAILMKKAEQAKIELPHDAAFFIAQRIRSNVRELEGALKRVIAHSHFMGRPITIELIRESLKDLLALQDKLVSIDNIQRTVAEYYKIKISDLLSKRRSRSVARPRQVAMALSKELTNHSLPEIGVAFGGRDHTTVLHACRKIAQLRESDADIREDYKNLLRTLTT |
| 3SC3 Chain:A ((34-224)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GVQAIYLWGPVKSGRTHLIHAA---CARANELERRSFYIPLGIHASISTAL-LEGLEQF-------DLICIDDVDAVAGHPLWEEAIFDLYNRVAEQKRGSLIVSASASPMEAGFVLPDLVSRMHWGLTYQLQPMMDDEKLAALQRRAAMRGLQLPEDVGRFLLNRMARDLRTLFDVLDRLDKASMVHQRKLTIPFVKEMLRL------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SC3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -94016 for 1383 contacts (-68.0/contact) +
2D Compatibility (PS) -20549 + (NN) -11514 + (LL) 21788
1D Compatibility (HY) -14400 + (ID) 2700
Total energy: -121391.0 ( -87.77 by residue)
QMean score : 0.526
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