Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTRDEALPDSHSAQDFYENYEPKEILGRGVSSVVRRCIHKPTSQEYAVKVIDVTGGGSFSPEEVRELREATLKEVDILRKVSGHPNIIQLKDTYETNTFFFLVFDLMKRGELFDYLTEKVTLSEKETRKIMRALLEVICTLHKLNIVHRDLKPENILLDD---NMNIKLTDFGFSCQLEPGERLREVCGTPSYLAPEIIE-CSMNEDHPGYGKEVDMWSTGVIMYTLLAGSPPFW-HRKQMLMLRMIMSGNYQFGSPEWDDYSDTVKDLVSRFLVVQPQNRYTAEEALAHPFFQQYLV---------EEVRHFSPRGKFKVIALTVLASVRIYYQYRRVKPVTREIVIRDPYALRPLRRLIDAYAFRIYGHWVKKGQQQNRAALFENTPKAVLLSLAEEDY |
2W4O Chain:A ((44-346)) | --------DGSNRDALSDFFEVESELGRGATSIVYRCKQKGTQKPYALKVLKK---------------------IGVLLRLS-HPNIIKLKEIFETPTEISLVLELVTGGELFDRIVEKGYYSERDAADAVKQILEAVAYLHENGIVHRDLKPENLLYATPAPDAPLKIADF----------------GTPGYCAPEILRGCA-------YGPEVDMWSVGIITYILLCGFEPFYDERGDQFMFRRILNCEYYFISPWWDEVSLNAKDLVRKLIVLDPKKRLTTFQALQHPWVTGKAANFVHMDTAQKKLQEFNARRKLKAAVKAVVASS----------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2W4O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -149475 for 2008 contacts (-74.4/contact) +
2D Compatibility (PS) -28216 + (NN) -16633 + (LL) 8452
1D Compatibility (HY) -22800 + (ID) 5650
Total energy: -214322.0 ( -106.73 by residue)
QMean score : 0.560
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