Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTIMASSLAVALGVTGYAAGTGHQAHAAEVNVDQAHLVDLAHNHQDQLNAAPIKDGAYDIHFVKDGFQYNFTSNGTTWSWSYEAANGQTAGFSNVAGADYTTSYNQGSDVQSVSYNAQSSNSNVEAVSAPTYHNYSTSTTSSSVRLSNGNTAGATGSSAAQIMAQRTGVSASTWAAIIARESNGQVNA-YNPSGASGLFQTMP-GW-------GP-------TNTVDQQINAAVKAYKAQGLGAWGF |
3W6B Chain:A ((54-128)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------GKGGDFALLLSAVIKKESYFGDGLSGSPSAGDGLMQVEPNTRNAYLSQFSAKYGHAYNHSSEQDQVYMGSLILNE-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3W6B.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -4192 for 338 contacts (-12.4/contact) +
2D Compatibility (PS) -6228 + (NN) -1716 + (LL) 8348
1D Compatibility (HY) 0 + (ID) 650
Total energy: -4438.0 ( -13.13 by residue)
QMean score : 0.423
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