Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLQVTDVSLRFGDRKLFEDVNIKFTEGNCYGLIGANGAGKSTFLK-ILSGELDSQTGHVSLGKNERLAVLKQDHYAYEDERVLDVVIKGHERLYEVMKEKDEIYMKPDFSDE-DGIRAAELEGEFAEMNGWNAEADAANLLSGLGIDPTLHDKKMAELENNQKIKVLLAQSLFGEPDVLLLDEPTNGLDIPAISWLEDFLINFDNTVIVVSHDRHFLNNVCTHIADLDFGKIKVYVGNYDFWYQSSQLAQKMAQEQNKKKEEKMKELQDFIARFSANASKSKQATSRKKQLEKIELDDIQPSSRRYPFVKFTPEREIGNDLLIVQNLSKTIDGEKVLDNVSFTMNPNDKAILIGDSEIAKTTLLKILAGEMEPDEGSFKWGVTTSLSYFPKDNSEFFEGVNMNLVDWLRQYAPEDEQTETFLRGFLGRMLFSGEEVKKKASVLSGGEKVRCMLSKMMLSSANVLLLDEPTNHLDLESITAVNDGLKSFKGSIIFTSYDFEFINTIANRVIDLNKQGGVSKEIPYEEYLQEIGVLK |
| 2IWH Chain:A ((439-728)) | ----CEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVD---GFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVGTKEAIKDK---LIEFGFTDEMIAMPISALSG------GW-------------------------------KMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKAYEELSNTDLEFKFPEPGYL------EGVKTKQ-----KAIVKVTNMEFQ-----YPGTS-KPQ----------------------ITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSG--------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -103913 for 2016 contacts (-51.5/contact) +
2D Compatibility (PS) -30756 + (NN) -11978 + (LL) 16252
1D Compatibility (HY) -19200 + (ID) 4550
Total energy: -154145.0 ( -76.46 by residue)
QMean score : 0.386
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