Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDVFLKALPVLQKLTTAGFEAYFVGGSVRDYLLNRTISDVDIATSAFPEEVKEIFQSTYDTGIAHGTVTVRENNEFYEVTTFRTEGTYEDFRRPSEVKFIR----SLEEDLQRRDFTMNAIAMD-EHFALHDPFSGQEAIKNKAIKAVGKASERFHEDALRMMRGVRFLSQLDFQLDSETEKALESQIGLLQHTSVERITVEWLKMIKGPAIRRAMDLLLKVEMETYLPGLKGEKKALTEFGSWDWGKRTTDDAIWLGLVVTVQPNNVNAFLKAWKLPNKTIQLVSKAYQYALKMKETWLAEELYHAGKAVFSLVNELNIIRGKENNQHKLSQAYEALPIHSKKDLAITGADLLKWSGESAGPWVKETLDKLECGVLCNEINNEKNQIKRWLGYHEE |
3AQK Chain:A ((32-245)) | --DISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFR------------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPIPRLATLLNDIPPAHLFEESLKLLQA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -65992 for 1365 contacts (-48.3/contact) +
2D Compatibility (PS) -19449 + (NN) -3630 + (LL) 15020
1D Compatibility (HY) -14800 + (ID) 3350
Total energy: -92201.0 ( -67.55 by residue)
QMean score : 0.468
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