Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MLQVTDVSLRFGDRKLFEDVNIKFTEGNCYGLIGANGAGKSTFLK-ILSGELDSQTGHVSLGKNERLAVLKQDHYAYEDERVLDVVIKGHERLYEVMKEKDEIYMKPDFSDED-GIRAAELEGEFAEMNGWNAEADAANLLSGLGIDPTLHDKKMAELENNQKIKVLLAQSLFGEPDVLLLDEPTNGLDIPAISWLEDFLINFDNTVIVVSHDRHFLNNVCTHIADLDFGKIKVYVGNYDFWYQSSQLAQKMAQEQNKKKEEKMKELQDFIARFSANASKSKQATSRKKQLEKIELDDIQPSSRRYPFVKFTPEREIGNDLLIVQNLSKTIDGEKVLDNVSFTMNPNDKAILIGDSEIAKTTLLKILAGEMEPDEGSFKWGVTTSLSYFPKDNSEFFEGVNMNLVDWLRQYAPEDEQTETFLRGFLGRMLFSGEEVKKKASVLSGGEKVRCMLSKMMLSSANVLLLDEPTNHLDLESITAVNDGLKSFKGSIIFTSYDFEFINTIANRVIDLNKQGGVSKEIPYEEYLQEIGVLK |
| 2IW3 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: 2IW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -105413 for 2018 contacts (-52.2/contact) +
2D Compatibility (PS) -30615 + (NN) -11797 + (LL) 16252
1D Compatibility (HY) -19200 + (ID) 4550
Total energy: -155323.0 ( -76.97 by residue)
QMean score : 0.395
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