Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSVELWQQCVDLLRDELPSQQFNTWIRPLQVEAEGDELRVYAPNRFVLDWVNEKYLGRLLELLGERGEGQLPALSLLIGSKRSRTPRAAIVPSQTHVAPPPPVAPPPAPVQPVSAAPVVVPREELPPVTTAPSVSSDPYEPEEPSIDPLAAAMPAGAAPAVRTERNVQVEGALKHTSYLNRTFTFENFVEGKSNQLARAAAWQVADNLKHGYNPLFLYGGVGLGKTHLMHAVGNHLLKKNPNAKVVYLHSERFVADMVKALQLNAINEFKRFY--RSVDALLIDDIQFFARKERSQ-------EEFFHTFNALLEGGQQVILTSDRYPKEIEGLEERLKSRFGWGLTVAVEPPELETRVAILMKKAEQAKIELPHDAAFFIAQRIRSNVR-ELEGALKRVIAHSHFMGRPITIELIRESLKDLLALQDKLVSIDNIQRTVAEYYKIKISDLLSKRRSRSVARPRQVAMALSKELTNHSLPEIGVAFGGRDHTTVLHACRKIAQLRESDADIREDYKNLLRTLTT |
| 3B9P Chain:A ((53-241)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PAKGLLLFGPPGNGKTLLARAVATECS-----ATFLNISAASLTSKYVGDGEK-LVRALFAVARHMQPSIIFIDEVDSLLSER---EASRRLKTEFLVEFDGLP--RIVVLAATNRP----QELDEAALRRFT--KRVYVSLPDEQTRELLLNRLLQKQGSPLDTEALRRLAKITDGYSGSDLTALAKDAALEPIRELNISAMRAITEQDFHSSLKRIRRSVAPQSLNSYEKWS-------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B9P.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112096 for 1213 contacts (-92.4/contact) +
2D Compatibility (PS) -18133 + (NN) -11106 + (LL) 20112
1D Compatibility (HY) -3200 + (ID) 1750
Total energy: -126173.0 ( -104.02 by residue)
QMean score : 0.486
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