Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNAPKIKVSGPVVELDGDEMTRVIWKLIKDMLILPYLDIRLDYYDLGIEHRDATDDQVTIDAAYAIKKHGVGVKCATITPDEARVEEFNLKKMWLSPNGTIRNILGGTIFREPIVISNVPRLVPGWTKPIVIGRHAFGDQYRATNFKVDQPGTVTLTFTPADG--SAPIVHEMVSIPEDG-GVVLGMYNFKESIRDFARASFSYGLNAKWPVYLSTKNTILKAYDGMFKDEFERVYEEEFKAQFEAAGLTYEHRLIDDMVAACLKWEGGYVWACKNYDGDVQSDTVAQGYGSLGLMTSVLMTADGKTVEAEAAHGTVTRHYRQYQAGKPTSTNPIASIFAWTRGLQHRGKLDGTPEVIDFAHKLESVVIATVESGKMTKDLAILIG-PEQDWLNSEEFLDAIADNLEKELAN |
4AOU Chain:A ((3-399)) | -----KIKMKVPLVEMDGDEMTRIIWRLIKENLLEPYIELNTEYYDLGLENRDKTEDQVTIDAARAIQKYGVGVKCATITPNAQRVEEYNLKKMWKSPNGTIRAILDGTVFRAPIVVNSIKPFVKGWKKPISIARHAYGDVYKNVEYYVPSAGKAELVFTSENGEVSRQTIHEF-----DGPGVIMGMHNTDKSIRSFARACFNYALDMNQDLWFSTKDTISKTYDHRFKDIFQEIYENEYKEKFEAKNLQYFYTLIDDAVARIIRSEGGMVWACKNYDGDVMSDMVASAFGSLAMMTSVLVSPDGK-YEFEAAHGTVTRHYYKHLKGEETSTNSMATIFAWTGALKKRGELDGIKELVDFATKLEQASVQTIENGVMTKDLASLSEVPEKKIVNTEDFLKEIRKTFE----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AOU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188976 for 3335 contacts (-56.7/contact) +
2D Compatibility (PS) -41600 + (NN) -3047 + (LL) 896
1D Compatibility (HY) -39600 + (ID) 11350
Total energy: -283677.0 ( -85.06 by residue)
QMean score : 0.403
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