Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTQDGTWVDESDWQLDDSEIAESGAAPVVAVVGRPNVGKSTLVNRILGRREAVVQDIPGVTRDRVCYDALWTGRRFVVQDTGGWEPNAKGLQRLVAEQASVAMRTADAVILVVDAGVGATAADEAAARILLRSGKPVFLAANKVDSEKGES----DAAAL-----WSLGLGEPHAISAMHGRGVADLLDGVLAALPEVGESASASGGPRRVALVGKPNVGKSSLLNKLAGDQRSVVHEAAGTTVDPVDSLIELGGDVWRFVDTAGLRRKVGQASGHEFYASVRTHAAIDSAEVAIVLIDASQPLTEQDLRVISMVIEAGRALVLAYNKWDLVDEDRRELLQREIDRELVQVRWAQRVNISAKTGRAVHKLVPAMEDALASWDTRIATGPLNTWLTEVTAATPPPVRGGKQPRILFATQATARPPTFVLFTTGFLEAGYRRFLERRLRETFGFDGSPIRVNVRVREKRAGKRR |
| 1MKY Chain:A ((177-355)) | ----------------------ITDAIKVAIVGRPNVGKSTLFNAILNKERALVSPIP------VDDEVFIDGRKYVFVDTAGL-------EKYSNYRVVDSIEKADVVVIVLDATQGITRQDQRMAGLMERRGRASVVVFNKWDLVVHREKRYDEFTKLFREKLYFIDYSPLIFTSADKGWNIDRMIDAMNLAYAS----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1MKY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86881 for 1199 contacts (-72.5/contact) +
2D Compatibility (PS) -17366 + (NN) -11118 + (LL) 20968
1D Compatibility (HY) -11200 + (ID) 2450
Total energy: -108047.0 ( -90.11 by residue)
QMean score : 0.505
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