Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKKKILVTGIVPKEGLRKLMDRFDVTYSE-DRPFSRDYVLEHLSEYDGWLL-MGQKGDKEMIDAGENLQIISLNAVGFDHVDTAYAKEKGIIVSNSPQAVRVPTAEMTFALILAASKRLAFYDSIVRSGEWIDPSE----QRYQGLTLQGSTLGIYGMGRIGLTVANFAKAFGMTVVYNDVYRLPEDKEKELGVTYLEFDQLIKTADVITIHAPALPSTIHKFNKDVFAKMKNRSYLINAARGPIVSEEALIEALKEGEIAGAGLDVFENEPQVSEGLRSLDNVIMSPHAGTGTIEGRRTLAEEAADNIIAFFDGK-PQNIVNK |
2DBQ Chain:A ((1-323)) | -MKPKVFITREIPEVGIKMLEDEFEVEVWGDEKEIPREILLKKVKEVDALVTMLSERIDKEVFENAPKLRIVANYAVGYDNIDIEEATKRGIYVTNTPDVLTDATADLAFALLLATARHVVKGDRFVRSGEWKKRGVAWHPKWFLGYDVYGKTIGIIGLGRIGQAIAKRAKGFNMRILYYSRTRKEEVER-ELNAEFKPLEDLLRESDFVVLAVPLTRETYHLINEERLKLMKKTAILINIARGKVVDTNALVKALKEGWIAGAGLDVFEEEPYYNEELFKLDNVVLTPHIGSASFGAREGMAELVAKNLIAFKRGEIPPTLVNR |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DBQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -171466 for 2657 contacts (-64.5/contact) +
2D Compatibility (PS) -34827 + (NN) -16489 + (LL) 272
1D Compatibility (HY) -28400 + (ID) 5900
Total energy: -256810.0 ( -96.65 by residue)
QMean score : 0.544
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