Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTSNTKTPKPVLIAGPCVIESLENLRSIAIKLQPLANN-ERLDFYFKASFDKANRTSLESYRGPGLEKGLEMLQTIKDEFGYKILTDVHESYQASVAAKVADILQIPAFLCRQTDLIVEVSQTNAIVNIKKGQFMNPKDMQYSVLKALKTRDSSIQSPTYETALKNGVWLCERGSSFGYGNLVVDMRSLKIMREFAPVIFDATHSVQMPGGANGKSSGDSSFPPILPRAAAAVGIDGLFAETHIDPKNALSDGANMLKPDELEHLVTDMLKIQNLF |
1PE1 Chain:B ((3-256)) | ---------KFLVIAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTK-NVVEKLKFGGA------------KEIYLTERGTTFGYNNLVVDFRSLPIMKQWAKVIYDATHSVQLPG-------GMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLEGIIEAILEIREVA |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PE1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130594 for 2160 contacts (-60.5/contact) +
2D Compatibility (PS) -27038 + (NN) -14048 + (LL) 876
1D Compatibility (HY) -24800 + (ID) 6400
Total energy: -202004.0 ( -93.52 by residue)
QMean score : 0.546
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