Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKTIMASSLAVALGVTGYAAGTGHQAHAAEVNVDQAHLVDLAHNHQDQLNAAPIKDGAYDIHFVKDGFQYNFTSNGTTWSWSYEAANGQTAGFSNVAGADYTTSYNQGSDVQSVSYNAQSSNSNVEAVSAPTYHNYSTSTTSSSVRLSNGNTAGATGSSAAQIMAQRTGVSASTWAAIIARESNGQVNAYN----PSGASGLFQTMP-GWGP--TNTVDQQINAAVKAYKAQGLGAWGF |
1GBS Chain:A ((47-122)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------RYKTIIKKVGEKLCVEPAVIAGIISRESHAGKVLKNGWGDRGNGFGLMQVDKRSHKPQGTWNGEVHITQGTTILTD-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GBS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -10205 for 453 contacts (-22.5/contact) +
2D Compatibility (PS) -7945 + (NN) -5512 + (LL) 7560
1D Compatibility (HY) -800 + (ID) 700
Total energy: -17602.0 ( -38.86 by residue)
QMean score : 0.548
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