Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNDVFLKALPVLQKLTTAGFEAYFVGGSVRDYLLNRTISDVDIATSAFPEEVKEIFQSTYDTGIAHGTVTVRENNEFYEVTTFRTEGTYEDFRRPSEVKFIR----SLEEDLQRRDFTMNAIAMD-EHFALHDPFSGQEAIKNKAIKAVGKASERFHEDALRMMRGVRFLSQLDFQLDSETEKALESQIGLLQHTSVERITVEWLKMIKGPAIRRAMDLLLKVEMETYLPGLKGEKKALTEFGSWDWGKRTTDDAIWLGLVVTVQPNNVNAFLKAWKLPNKTIQLVSKAYQYALKMKETWLAEELYHAGKAVFSLVNELNIIRGKENNQHKLSQAYEALPIHSKKDLAITGADLLKWSGESAGPWVKETLDKLECGVLCNEINNEKNQIKRWLGYHEE |
| 3AQL Chain:A ((16-229)) | --DISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFRG-----------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPIPRLATLLNDIPPAHLFEESLKLLQA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -83385 for 1379 contacts (-60.5/contact) +
2D Compatibility (PS) -19663 + (NN) -4742 + (LL) 14968
1D Compatibility (HY) -14800 + (ID) 3350
Total energy: -110972.0 ( -80.47 by residue)
QMean score : 0.472
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