Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MENERKRILELVKQGIISTEEALTLLENISKKEGKTAAKENIRRSAAPREEEQIEEETKEEPSYDYSKGWNNQGNPYTPPKSRKRRPEPTPENHERDEEEGGENSSKDREDSMRNMVNDLSQAGEKIGSFLNSAFKQVKDMPFPFLTSTKIERDFIYHDTTLSILEFEIANGNIEFKPSDSNDIKVHAMIKLFKEYPEDEALKIFFDKTTLRVDEETLRFESKSKQIVTNLTVYLPRREYDYVSVKMLNGNFHMDELSGRDLFVKTTNGNISIG-TLNATLAEIE-SINGNVRIQNGEIRDVALKT-FNGNVAVKGNYYSTNLQT-KNGNVNYQLTGNEATFLKAK-TGAGNIDVVVPATIGVDGRFHTNLGKLLLDLKDAEILESKTESVSKSITFTKLPNAADSSLKIEAEATTGSVKIRDVK |
| 3PET Chain:A ((90-204)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LNGISF-KGVGDVHIENGLTTDNLDIESKGVGNVDIQSLTCQKLNVQSMGVGDVKLEGTAQIAALHSKGVGNIEAGNL--RANAVEASSQGVGDITCNATESI--DAAV-RGVGSIKYKGS---------------------------------------------- |
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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) -41074 for 879 contacts (-46.7/contact) +
2D Compatibility (PS) -11349 + (NN) -717 + (LL) 18688
1D Compatibility (HY) -4000 + (ID) 1200
Total energy: -39652.0 ( -45.11 by residue)
QMean score : 0.383
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