Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSYIQILPETFSIISSLVLLLLGIVFNRRTINLLALGCTVITLIILILSAKDSGFFPFNSLLKLDLYIRSAQGLILIAGILVLLLLNLSKYDYEYEFSILILFTLFGMITLVSANNLISFYLSFELMSIPLYVLASFNKDSVYSCEAGVKYFTLSALSSCIMLYGMSLLYGYTGLVNFSELSSFLENHQMTYGIVFGLVLILIGLCFKLAIAPFHMWAPDVYQGAPTIVTAFFSTVPKAALVTFLIRFFMGEELVGVEKYFQPVLLYISALSVLISAFGALRQRNLKRLLAYSSIGHIGFILASLSIFTRMGTDSSLIYLVIYIITNIGLFSYFIQIDDDDCSVANLSGIGKKRPVLAFHLSILLFSMAGIPPLAGFFAKLFIFKSLVNSGFIGMSLIFIVASVISCYYYLSIIKAMYFDKPSDSKVIYSKSLFIVTSVASLINIVLFMCVEDLYSLIHLVTKSL |
2P08 Chain:A ((9-22)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KAFPFHFAFSRNREIVQTGEVLERISPEPLVGKLIEQHFQINRPKILIDFDAISKQPRALFILEFLHNGMQLKGQMMYQPEEEVIFFLGSPWITDTTSL------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2P08.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -928 for 35 contacts (-26.5/contact) +
2D Compatibility (PS) -1338 + (NN) 547 + (LL) 31620
1D Compatibility (HY) 800 + (ID) 150
Total energy: 30551.0 ( 872.89 by residue)
QMean score : -0.259
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