Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNDVFLKALPVLQKLTTAGFEAYFVGGSVRDYLLNRTISDVDIATSAFPEEVKEIFQSTYDTGIAHGTVTVRENNEFYEVTTFRTEGTYEDFRRPSEVKFIR----SLEEDLQRRDFTMNAIAMD-EHFALHDPFSGQEAIKNKAIKAVGKASERFHEDALRMMRGVRFLSQLDFQLDSETEKALESQIGLLQHTSVERITVEWLKMIKGPAIRRAMDLLLKVEMETYLPGLKGEKKALTEFGSWDWGKRTTDDAIWLGLVVTVQPNNVNAFLKAWKLPNKTIQLVSKAYQYALKMKETWLAEELYHAGKAVFSLVNELNIIRGKENNQHKLSQAYEALPIHSKKDLAITGADLLKWSGESAGPWVKETLDKLECGVLCNEINNEKNQIKRWLGYHEE |
| 3AQN Chain:B ((16-229)) | --DISENALKVMYRLNKAGYEAWLVGGGVRDLLLGKKPKDFDVTTNATPEQVRKLFRNCRLVGRRFRLAHVMFGPEIIEVATFRG-----------------NIFGSIEEDAQRRDFTINSLYYSVADFTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPIPRLATLLNDIPPAHLFEESLKLLQA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -82727 for 1403 contacts (-59.0/contact) +
2D Compatibility (PS) -19795 + (NN) -4559 + (LL) 14968
1D Compatibility (HY) -14800 + (ID) 3350
Total energy: -110263.0 ( -78.59 by residue)
QMean score : 0.471
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