Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MENERKRILELVKQGIISTEEALTLLENISKKEGKTAAKENIRRSAAPREEEQIEEETKEEPSYDYSKGWNNQGNPYTPPKSRKRRPEPTPENHERDEEEGGENSSKDREDSMRNMVNDLSQAGEKIGSFLNSAFKQVKDMPFPFLTSTKIERDFIYHDTTLSILEFEIANGNIEFKPSDSNDIKVHAMIKLFKEYPEDEALKIFFDKTTLRVDEETLRFESKSKQIVTNLTVYLPRREYDYV-SVKML-NGNFHMDELS---GRDLFVKTTNGNISIGTLNATLAEIESING----NVRIQNGEIRDVALKTFNGNVAV---KGNYYSTNLQ-TKNGNVNYQLTGNEAT--FLKAKTGAGNIDVVVPATIGVDGRFHTNLGKLLLDLKDAEILESKTESVSKSITFTKLPNAADSSLKIEAEATTGSVKIRDVK |
4QRK Chain:A ((9-220)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KPKEEIKIVEPNGAEKTKLNLNFGVGKLNISGNEEKLMKGKFIYSENEWKPEIKYEVKDKDGELEISQPGLKSGNVSLNNKRNEWNINLNEKIPTEIKLSLGTGEFKADLSKINLKELNVGMGV-GKVDLDISGNYKNNVKVNIEGGVGEATVYLPKSIGVKIKAEKGVGAVN-----ANGFIVEGENIYKNSQYGKSKN----SIEVNIEAGVGAINIKQK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4QRK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -22435 for 1493 contacts (-15.0/contact) +
2D Compatibility (PS) -20000 + (NN) 6300 + (LL) 12584
1D Compatibility (HY) -6400 + (ID) 2000
Total energy: -31951.0 ( -21.40 by residue)
QMean score : 0.220
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