Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIETRNLGKRFGSRVAVDDLSFQVETGEVLGFLGPNGAGKSTTMKMLTGFLAPCAGTASIFGFDIRNRT--LQAQRLIGYLPEGSPCYAEMTVQGFLDFIAEIRGYRGAGKRERVARALGLLELDEVRRQTIETLSKGFRRRVGLAQAILHEPRALVLDEPTDGLDPNQKHQVRELIRGLAQER--IVIISTHILEEVSALCSRALVIGGGRLLADSTPLELASRSRYHQAVTLYSDEPLDAVALAVLPGVAGIEENPAEGSLTVLAQPGAVIFPQVSGLVAERGWRIRELDVERGRLDEVFRNLTRGTEA |
2IT1 Chain:A ((4-256)) | -IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIY---FDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEK------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -141137 for 1945 contacts (-72.6/contact) +
2D Compatibility (PS) -26368 + (NN) -7613 + (LL) 4108
1D Compatibility (HY) -13200 + (ID) 3650
Total energy: -187860.0 ( -96.59 by residue)
QMean score : 0.387
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