Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTQDGTWVDESDWQLDDSEIAESGAAPVVAVVGRPNVGKSTLVNRILGRREAVVQDIPGVTRDRVCYDALWTGRRFVVQDTGGWEPNAKGLQRLVAEQASVAMRTADAVILVVDAGVGATAADEAAARILLRSGKPVFLAANKVDSEKGESDAAALWSLGLGEPHAISAMHGRGVADLLDGVLAALPEVGESASASGGPRRVALVGKPNVGKSSLLNKLAGDQRSVVHEAAGTTVDPVDSLIELGGDVWRFVDTAGLRRKVGQASGHEFYASVRTHAAIDSAEVAIVLIDASQPLTEQDLRVISMVIEAGRALVLAYNKWDLVDEDRR--ELLQREIDRELVQVRWAQRVNISAKTGRAVHKLVPAMEDALASWDTRIATGPLNTWLTEVTAATPPPVRGGKQPRILFATQATARPPTFVLFTTG--FLEAGYRRFLERRLRETFGFDGSPIRVNVRVREKRAGKRR |
2HJG Chain:A ((4-436)) | --------------------------PVVAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLID---------PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKLDN-----NIYDFYSLGFGEPYPISGTHGLGLGDLLDAVAEHFKNIPET-KYNEEVIQFCLIGRPNVGKSSLVNAMLGEERVIVS---------VDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWDAVDKDESTMKEFEENIRDHFQFLDYAPILFMSALTKKRIHTLMPAIIKASENHSLRVQTNVLNDVIMDAVAMNPTPTHNGSRLKIYYATQVSVKPPSFVVFVNDPELMHFSYERFLENRIRDAFGFEGTPIKIFARARK------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HJG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -238629 for 3122 contacts (-76.4/contact) +
2D Compatibility (PS) -42796 + (NN) -13023 + (LL) 2832
1D Compatibility (HY) -31200 + (ID) 7900
Total energy: -330716.0 ( -105.93 by residue)
QMean score : 0.580
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