Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNWDTKFLKKGFTFDDVLLIPAESHVLPNEVDMKTKLADNLTLNIPIITAAMDTVTDSKMAIAIARAGGLGIIHKNMSIVDQAEEVRKVKRSENGVIIDPFFLTPDNTVSEAEELMQNYRISGVPIVETLENRKLVGIITNRDMRFISDYKQLISEHMTSQNLVTAPIGTDLETAERILHEHRIEKLPLVDDEGRLSGLITIKDIEKVIEFPKAAKDEFGRLLVAGAVGVTSDTFERAEALFEAGADAIVIDTAHGHSAGVLRKIAEIRAHFPNRTLIAGNIATAEGARALYDAGVDVVKVGIGPGSICTTRVVAGVGVPQITAIYDAAAVAREYGKTIIADGGIKYSGDIVKALAAGGNAVMLGSMFAGTDEAPGETEIFQGRKFKTYRGMGSIAAMKKGSSDRYFQGSVNEANKLVPEGIEGRVAYKGSVADIVFQMLGGIRSGMGYVGAANIKELHDNAQFVEMSGAGLKESHPHDVQITNEAPNYSVH |
4IX2 Chain:A ((95-363)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGLRVGAAVGAAPGNEERVKALVEAGVDVLLIDSSHGHSEGVLQRIRETRAAYPHLEIIGGNVATAEGARALIEAGVSAVKVGIGPGSICTTRIVTGVGVPQITAIADAAGVANEYGIPVIADGGIRFSGDISKAIAAGASCVMVGSMFAGTEEAPGEVILYQGRSYKAYRGM--------------------------PEGIEGRIAYKGHLKEIIHQQMGGLRSCMGLTGSATVEDLRTKAQFVRISGAGMKESHVHDVQITKEAPNYR-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IX2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -118417 for 1844 contacts (-64.2/contact) +
2D Compatibility (PS) -26844 + (NN) -11363 + (LL) 17888
1D Compatibility (HY) -22400 + (ID) 7900
Total energy: -169036.0 ( -91.67 by residue)
QMean score : 0.498
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