Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNTTWSPTSWHSFKIEQHPTYKDEQELERVKKELRSYPPLVFAGEARNLQERLAQVIDNKAFLLQGGDCAESFSQFSANRIRDMFKVMMQMAIVLTFAGSIPIVKVGRIAGQFAKPRSNATEILDDEEVLSYRGDIINGISKKE--REPKPERMLKAYHQSVATLNLIRAFAQGGLADLEQVHRFNLDFVKNNDFGQKYQQIADRITQALGFMRACGVEIERTPILREVEFYTSHEALLLHYEEPLVR---KDSLTNQFYDCSAHMLWIGERTRDPKGAHVEFLRGVCNPIGVKIGPNASVSEVLELCDVLNPHNLKGRLNLIVRMGSKIIKERLPKLLQGVLKEKRHILWSIDPMHGNTVKTNLGVKTRAFDSVLDEVKSFFEIHRAEGSLASGVHLEMTGENVTECIGGSQAITEEGLSCHYYTQCDPRLNATQALELAFLIADMLKKQRT |
3NUE Chain:B ((38-463)) | -----------------QQPTWPADQALA-MRTVLESVPPVTVPSEIVRLQEQLAQVAKGEAFLLQGGDCAETFMDNTEPHIRGNVRALLQMAVVLTYGASMPVVKVARIAGQYAKPRSADIDALG---LRSYRGDMINGFAPDAAAREHDPSRLVRAYANASAAMNLVRALTSSGLASLHLVHDWNREFVRTSPAGARYEALATEIDRGLRFMSACGVA-DRN--LQTAEIYASHEALVLDYERAMLRLSDGDDGEPQLFDLSAHTVWIGERTRQIDGAHIAFAQVIANPVGVKLGPNMTPELAVEYVERLDPHNKPGRLTLVSRMGNHKVRDLLPPIVEKVQATGHQVIWQCDPMHGN-------FKTRHFDRIVDEVQGFFEVHRALGTHPGGIHVEITGENVT-------------LAGRYE-ACDPRLNTQQSLELAFLVAEMLRD--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NUE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -204038 for 3490 contacts (-58.5/contact) +
2D Compatibility (PS) -43689 + (NN) -26913 + (LL) 2560
1D Compatibility (HY) -37600 + (ID) 9700
Total energy: -319380.0 ( -91.51 by residue)
QMean score : 0.550
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