Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNQTEAAPVVSVSRVYAHVNEEMPREYWDYENMQEVFGYQDNYEIIRKVGRGKYSEVFEGLNVLNNSKCIIKVLKPVKYKKIKREIKILQNLAGGPNIISLLDIVRDPESKTPSLIFEFVDNIDFRTLYPTLSDYDIRYYSYELLKALDFCHSRGIMHRDVKPHNVMIDHKKRKLRLIDWGLAEFYHAGMEYNVRVASRYFKGPELLVDFREYDYSLDIWSFGVMFAALIFKKDTFFRGRDNYDQLVKIAKVLGTDELFAYVQKYQIVLDRQYDNILGQYPKRDWYSFVNRDNRSLANDEAIDLLNRLLRYDHQERLTCQEAMAHPYFQVLK |
1LPU Chain:A ((2-323)) | ----------SKARVYADVNVLRPKEYWDYEALTVQWGEQDDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGPNIVKLLDIVRDQHSKTPSLIFEYVNNTDFKVLYPTLTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVR |
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General information:
TITO was launched using:
| RESULT:
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Template: 1LPU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -222920 for 2613 contacts (-85.3/contact) +
2D Compatibility (PS) -33408 + (NN) -3483 + (LL) 936
1D Compatibility (HY) -42000 + (ID) 11550
Total energy: -312425.0 ( -119.57 by residue)
QMean score : 0.499
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