Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLQTINLTQRYATKKLFENVNIKLDKNKRYGLIGANGAGKSTFLKILSKSIDCSSGEVIITSGMRMGVLGQDQYAFEDLSLKDAVLIGNRRLYDAIKEKERLYTEGDLSDDKVNARLGELETICVEEDPMYECEVVIEKILEDLGIPSSKHNDLMKTLPSSDKFKILLAQVLFPKPDILLLDEPTNNLDLNAIEWLENNLKRHEGTMVVISHDRHFLNAVCTHILDLDFHSVREFSGNYDDWYIASTLIAKQQEAERNKKLKEKEELEKFIARFSANASKAKQATSRQKQLDKLDIQSLAISSRRDPSIIFKPKRTIGNEALECENISKSYDDQIVLNQVSLKVMPKDKIALIGPNGVGKSTLCKILVEELKPDTGVVKWGATVLKGYFPQNVSEEISGE-----ETLYQWLFNFNKKIESAEVRNALGRMLFNGEEQEKCVNALSGGEKHRMVLSKLMLEGGNFLVLDEPTNHLDLEAIIALGEALFKFDGALICVSHDRELIDAYANRIIELVPSPKGASIIDFKGSYEEYLASKK |
2IW3 Chain:A ((445-778)) | ----------YGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRA-------------IANGQVDGFPTQE-------------------------ECRTVYVEHDIDGTHSDTSVLDF----VFESGVGTKEAIKDKLIE-FGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTE-FVKKCPAAKAYEELSNTDLEFKFPEPGYL----------EGVKTKQKAIVKVTNMEFQYPGTSKPQI----------------------------TDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETMDRANRQINENDAEAMNKIFKIEGTPRRIAGIHSRRKFKNTYEYECSFLLGENIGMKSERWVPMMSVDNAWIPRGELVESHSKMVAEVDMKEALASGQFRPLTRKEIEEHCSMLGLD |
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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) -84205 for 2255 contacts (-37.3/contact) +
2D Compatibility (PS) -34525 + (NN) -8979 + (LL) 6976
1D Compatibility (HY) -20000 + (ID) 4950
Total energy: -145683.0 ( -64.60 by residue)
QMean score : 0.383
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