Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLERYSRPEMAAIWTEENKYRAWLEVEILADEAWAELGEIPKEDVTKIREKADF---DIDRILEIEQDTRHDVVAFTRAVSETLGEERKWVHYGLTSTDVVDTAYGYLYKQANDIIRRDLENFTNIVAEKAKEHKFTIMMGRTHGVHAEPTTFGLKLATWYSEMKRNIERFEHAAAGVEAGKISGAVGNFANIP---PFVEEYVCDKLGIHPQEISTQVLPRDLHAEYFAVLASIATSIERMATEIRGLQKSEQREVEEFFAKGQKGSSAMPHKRNPIGSENMTGLARVIRGHMVTAYENVALWHERDISHSSAERIITPDTTILIDYMLNRFGNIVKNLTVFPENMMRNMESTFGLIYSQRVMLKLIEKGMTREEAYDLVQPKTAYSWDNQVDFKPLLEEDTKVTSCLTQEELDELFNPIYYTKRVDDIFERLGLEK |
3C8T Chain:A ((22-455)) | -GRSFADDKMRELFSAQSFISRCVETEVALARAQARLGIIPEDAAAGITAAARTFAPEMERLRDDTEIVGYPILPLVEQLSAHAGEAGKYLHWGATTQDIMDTATVLQIRDGLALISRRIESVRKALAALARNHRDTPMAGRTHLQHALPVTFGYKAAVWLSAFDRHAARLEEISPRVLVVEFSGASGTLASLGTRGLDVQRELARELNLGV-PSITWHSARDAVAETVQFLALVSGSLGKLAMDISIMMTTELGEVAEP---------------NPVSCELILAGARIVRNHATSMLDAMIHDFERATGPWHLEWSAVPEGFAVASGILYQAEFMLGGLQVFPDRMRENLDHSRGLIVAEAVMMALAP-HTGRKEAHDIVYLGCRRAVEDKTGLFEVLRTMPEVAKPLGEEALRDLTDPRNYLGSAGAMVDNVLGGR |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C8T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -150557 for 3475 contacts (-43.3/contact) +
2D Compatibility (PS) -43512 + (NN) -5648 + (LL) 936
1D Compatibility (HY) -14400 + (ID) 5350
Total energy: -218531.0 ( -62.89 by residue)
QMean score : 0.508
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