Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MENERKRILELVKQGIISTEEALTLLENISKKEGKTAAKENIRRSAAPREEEQIEEETKEEPSYDYSKGWNNQGNPYTPPKSRKRRPEPTPENHERDEEEGGENSSKDREDSMRNMVNDLSQAGEKIGSFLNSAFKQVKDMPFPFLTSTKIERDFIYHDTTLSILEFEIANGNIEFKPSDSNDIKVHAMIKLFKEYPEDEALKIFFDKTTLRVDEETLRFESKSK-----QIVTNLTVYLPRREYDYVSVKMLNGNFHMD-ELSGRDLFVK-TTNGNISIGTLNATLAEIES-INGNVRIQNGEIRDVALKT-FNGNVAVKGN-YYSTNLQ-TKNGNVNYQLTGNEATFLKAKTGAGNIDVVVPATIGVDGRFHTNLGKLLLDLKDAEILESKTESVSKSITFTKLPNAADSSLKIEAEATTGSVKIRDVK |
3PET Chain:A ((8-185)) | --------------------------------------------------------------------------------------------------------------------------------------------------SKKLITRDYKVK--EFNKIDAGT-VGNIYYTQSTDGKTDLQIYGP--D---------NIVALIQVAVKDNTLFLSIDKSKKVRNFKKMKITITSPT--LNGISFK-GVGDVHIENGLTTDNLDIESKGVGNVDIQSLTCQKLNVQSMGVGDVKLEGT-AQIAALHSKGVGNIEAGNLRANAVEASSQGVGDITCNA----------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PET.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -91976 for 1331 contacts (-69.1/contact) +
2D Compatibility (PS) -17200 + (NN) 3827 + (LL) 14248
1D Compatibility (HY) -4400 + (ID) 1500
Total energy: -97001.0 ( -72.88 by residue)
QMean score : 0.456
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