Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNYLESLYWIHERTKFGIKPGVKRMEWMLAQFNNPQNNIKGIHVGGTNGKGSTVAYLRTALVENGYEVGTFTSPFIETFNERISLNGVPISNDAIVELVSRIKPVSE-MMERETDLGVATEFEIITAMMFLYFGEIHPVDFVIVEAGLGIKNDSTNVFTPVLSILTSIGLDHTDILGGTYLDIARDKGAIIKPNVPVIYAVKNEDALKYVRERAIEQHAKPIELDREIVVVSQ-----NDEFTYRYKDYELETIILSMLGEHQKQNAALAITALIELNEQGLIELDFNKMIDGIESVRWTGRIEQVHDKPLIILDGAHNSESIDALIDTIKQYHDKEKVDILFSAINGKPINEMVKHLSLIAHTFYATEFDFPKALRKEEIVGSIENDEIQLVDDYVEFIKNYQGDT----LVITGSLYFISEVKSKLDFEAL |
1FGS Chain:A ((1-423)) | MNYTETVAYIHSFPRLA--GDHRRILTLLHALGNPQQQGRYIHVTGTNGKGSAANAIAHVLEASGLTVGLYTSPFIMRFNERIMIDHEPIPDAALVNAVAFVRAALERLQQQQADFNV-TEFEFITALAYWYFRQ-RQVDVAVIEVG-----DSTNVITPVVSVLTEVALD-------TITAIAKHKAGIIKRGIPVVTGNLVPDAAAVVAAKVATTGSQWLRFDRDFSVPKAKLHGWGQRFTYEDQDGRISDLEVPLVGDYQQRNMAIAIQTAKVYAKQTEWPLTPQNIRQGLAASHWPARLEKISDTPLIVIDGAHNPDGINGLITALKQLF-SQPITVIAG------YAAMADRLTAAFSTVYLVP--VPGTPR------------GRLKDSWQEALAASLNDVPDQPIVITGSLYLASAVRQTL----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1FGS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -269878 for 3259 contacts (-82.8/contact) +
2D Compatibility (PS) -41366 + (NN) -16480 + (LL) 2068
1D Compatibility (HY) -27200 + (ID) 6700
Total energy: -359556.0 ( -110.33 by residue)
QMean score : 0.531
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