Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTQDGTWVDESDWQLDDSEIAESGAAPVVAVVGRPNVGKSTLVNRILGRREAVVQDIPGVTRDRVCYDALWTGRRFVVQDTGGWEPNAKGLQRLVAEQASVAMRTADAVILVVDAGVGATAADEAAARILLRSGKPVFLAANKVDSEKGESDAAALWSLGLGEPHAISAMHGRGVADLLDGVLAALPEVGESASASGGPRRVALVGKPNVGKSSLLNKLAGDQRSVVHEAAGTTVDPVDSLIELGGDVWRFVDTAGLRRKVGQASGHEFYASVRTHAAIDSAEVAIVLIDASQPLTEQDLRVISMVIEAGRALVLAYNKWDLVDEDRRELLQREIDRELVQVRWAQRVNISAKTGRAVHKLVPAMEDALASWDTRIATGPLNTWLTEVTAATPPPVRGGKQPRILFATQATARPPTFVLFTTGFLEAGYRRFLERRLRETFGFDGSPIRVNVRVREKRAGKRR |
3GEH Chain:A ((222-383)) | -----------------------RTGLKVAIVGRPNVGKSSLLNAWSQSDRAIVTDLPGTTRDVVESQLVVGGIPVQVLD--------------------QAANTADLVLLTIDAATGWTTGDQEIYEQV--KHRPLILVMNKIDLVEKQLITSLEYPENITQIVHTAAAQKQGIDSLETAILEIVQ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GEH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86158 for 1038 contacts (-83.0/contact) +
2D Compatibility (PS) -15571 + (NN) -6516 + (LL) 22060
1D Compatibility (HY) -6000 + (ID) 2250
Total energy: -94435.0 ( -90.98 by residue)
QMean score : 0.410
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