Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTQDGTWVDESDWQLDDSEIAESGAAPVVAVVGRPNVGKSTLVNRILGRREAVVQDIPGVTRDRVCYDALWTGR-RFVVQDTGG-WEPNAKGLQRLVAEQASVAMRTADAVILVVDAGVGATAADEAAARILLRSGKPVFLAANKVDSEKGESDAAALWSLGLGEPHAISAMHGRGVADLLDGVLAALPEVGESASASGGPRRVALVGKPNVGKSSLLNKLAGDQRSVVHEAAGTTVDPVDSLIELGGDVWRFVDTAGLRRKVGQASGHEFYASVRTHAAIDSAEVAIVLIDASQPLTEQDLRVISMVIEAGRALVLAYNKWDLVDEDRRELLQREIDRELVQVRWAQRVNISAKTGRAVHKLVPAMEDALASWDTRIATGPLNTWLTEVTAATPPPVRGGKQPRILFATQATARPPTFVLFTTGFLEAGYRRFLERRLRETFGFDGSPIRVNVRVREKRAGKRR |
| 2DYK Chain:A ((4-161)) | ----------------------------VVIVGRPNVGKSSLFNRLLKKRS-----------D-LKEGVVETDRGRFLLVDTGGLW--SGDKWEKKIQEKVDRALEDAEVVLFAVDGRAELTQADYEVAEYLRRKGKPVILVATKVDDPKHELYLGPLYGLGFGDPIPTSSEHARGLEELLEAIWERLP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DYK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -86477 for 1113 contacts (-77.7/contact) +
2D Compatibility (PS) -15713 + (NN) -4155 + (LL) 21792
1D Compatibility (HY) -10800 + (ID) 3050
Total energy: -98403.0 ( -88.41 by residue)
QMean score : 0.595
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