Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEDRTGHQGISGPATRAIHAGYRPDPATGAVNVPIYASSTFAQDGVGGLRGGFEYARTGNPTRAALEASLAAVEEGAFARAFSSGMAATDCALRAMLRPGDHVVIPDDAYGGTFRLIDKVFTRWDVQYTPVRLADLDAVGAAITPRTRLIWVETPTNPLLSIADITAIAELGTDRSAKVLVDNTFASPALQQPLRLGADVVLHSTTKYIGGHSDVVGGALVTNDEELDEEFAFLQNGAGAVPGPFDAYLTMRGLKTLVLRMQRHSENACAVAEFLADHPSVSSVLYPGLPSHPGHEIAARQMRGFGGMVSVRMRAGRRAAQDLCAKTRVFILAESLGGVESLIEHPSAMTHASTAGSQLEVPDDLVRLSVGIEDIADLLGDLEQALG |
3QI6 Chain:B ((14-392)) | ---------RFAGLATRAIHSGYRPDPATGAVNAPIYASSTFAQDGVGGLRGGYEYARTGNPTRTALEAALAAVEDAAFGRAFSSGMAAADCALRAMLRPGDHVVIPDDAYGGTFRLIDKVFTGWNVEYTPVALADLDAVRAAIRPTTRLIWVETPTNPLLSIADIAGIAQLGADSSAKVLVDNTFASPALQQPLSLGADVVLHSTTKYIGGHSDVVGGALVTNDEELDQSFAFLQNGAGAVPGPFDAYLTMRGLKTLVLRMQRHSENAAAVAEFLAEHPAISTVLYPGLPSHPGHAVAARQMRGFGGMVSVRMRAGRTAAEQLCAKTNIFILAESLGSVESLIEHPSAMT-----GSQLEVPDDLVRLSVGIEDVADLLDDLKQALG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QI6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -205104 for 3394 contacts (-60.4/contact) +
2D Compatibility (PS) -42043 + (NN) -29171 + (LL) 708
1D Compatibility (HY) -45600 + (ID) 16500
Total energy: -337710.0 ( -99.50 by residue)
QMean score : 0.562
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