Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNAPKIKVSGPVVELDGDEMTRVIWKLIKDMLILPYLDIRLDYYDLGIEHRDATDDQVTIDAAYAIKKHGVGVKCATITPDEARVEEFNLKKMWLSPNGTIRNILGGTI--FREPIVISNVPRLVPGWTKPIVIGRHAFGDQYRATNFKVDQP-GTVTLTFTPADGSAPIVHEMVSIP-EDGGVVLGMYNFKESIRDFARASFSYGLNAKWPVYLSTKNTILKAYDGMFKDEFERVYEEEFKAQFEAAGLTYEHRLIDDMVAACLKWEGGYVWACKNYDGDVQSDTVAQGYGSLGLMTSVLMTADGKTVEAEAAHGTVTRHYRQYQAGKPTSTNPIASIFAWTRGLQHRGKLDGTPEVIDFAHKLESVVIATVESGKMTKDLAILIG-----PEQDWLNSEEFLDAIADNLEKELAN |
4UMX Chain:A ((3-410)) | -----KKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIIC--KNIPRLVSGWVKPIIIGHHAYGDQYRATDFVVPGPGK-VEITYTPSDGTQKVTYLVHNFEEGGGVAMG-MYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLA- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UMX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -166543 for 3229 contacts (-51.6/contact) +
2D Compatibility (PS) -42876 + (NN) -10049 + (LL) 300
1D Compatibility (HY) -40800 + (ID) 12800
Total energy: -272768.0 ( -84.47 by residue)
QMean score : 0.445
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