Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEFDTSSESLATIKVIGVGGGGNNAVNRMIEHGVQGVEFISVNTDAQALNLAKAETKLQIGTKLTRGLGAGAVPEIGKKAAEESREQIEEALKGSDMVFVTAGMGGGTGTGAAPVIAQIAKEMGALTVGVVTRPFGFEGPKRTKQALTGTEAMKEAVDTLIVIPNDRLLQIVDKNTPMLEAFREADNVLRQGVQGISDLIAVPGLINLDFADVKTIMTNRGSALMGIGIATGENRAAEAAKKAISSPLLETSVDGAKGVLMNITGGSNLSLYEVQEAAEIVSSASDEDVNMIFGSVINDELKDELIVTVIATGFDEAKQAQQQAQANRRPNQSIQVNRPNYAVQDEQQNDYAQNAPQQANAPVHEQQAEPQQNSSDVDVPAFIRNRNRRG |
3WGK Chain:A ((13-316)) | ----------LATLKVIGVGGGGNNAVNRMIDHGMNNVEFIAINTDGQALNLSKAESKIQIGEKLTRGLGAGANPEIGKKAAEESREQIEDAIQGADMVFVTSGMGGGTGTGAAPVVAKIAKEMGALTVGVVTRPFSFEGRKRQTQAAAGVEAMKAAVDTLIVIPNDRLLDIVDKSTPMMEAFKEADNVLRQGVQGISDLIAVGA--GLDFADVKTIMSNQGSALMGIGVSSGENRAVEAAKKAISSPLLETSIVGAQGVLMNITGGESLSLFEAQEAADIVQDAADEDVNMIFGTVINPELQDEIVVTVIATGFD--------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WGK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -197076 for 2846 contacts (-69.2/contact) +
2D Compatibility (PS) -34243 + (NN) -18767 + (LL) 5328
1D Compatibility (HY) -35600 + (ID) 12350
Total energy: -292708.0 ( -102.85 by residue)
QMean score : 0.615
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