Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVFSVKTFNNINQIGLQELGNRFQIDGDMSENPDAYII--RSQNLHNQDF---PSNLKAIARAGAGTNNIPIEEASAQGIVVFNTPGANANAVKEAVIAALLLSARDYLGANRWVNTLTGTDIPKQIEAGKKAFAGNEIAGKKLGVIGLGAIGARIANDARRLGMTVLGYDPYVSIETAWNISSHVQRVKEIKDIFETCDYITIHVPLTNETKHTFDAEAFSIMKKGTTIINFARAELVNNQELFKAIETGVVKRYITDFGDKE-----------LLNQKGITVFPHVGGSTDEAELNCAIMASQTIRCFMETGEITNSVNFPNVHQIQTAPFRITLINKNVPNIVAKISTAVSELGINIDNIINRSKGDYAYTLIDLDETDNNKISTLIEEFEGDENIVRVRLIAKQQ |
2PA3 Chain:A ((53-409)) | ---------------------------------DAHFIGLRSRTHLTEDVINAAEKLVAIGAFAIGTNQVDLDAAAKRGIPVFNAPFSNTRSVAELVIGELLLLLRGVPEANAKAHR----GVWNKLAAG--SF---EARGKKLGIIGYGHIGTQLGILAESLGMYVYFYD----IENKLPLGNATQ-VQHLSDLLNMSDVVSLHVPENPSTKNMMGAKEISLMKPGSLLINASRGTVVDIPALADALASKHLAGAAIDVFPTEPATNSDPFTSPLAEFDNVLLTPHIGGSTQEAQENIGLEVAGKLIKYSDNGSTLSAVNFPEVSLPLHVGRRLMHIHENRPGVLTALNKIFAEQGVNIAAQYLQTSAQMGYVVIDI-EADEDVAEKALQAMKAIPGTIRARLLY--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PA3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -193727 for 2719 contacts (-71.2/contact) +
2D Compatibility (PS) -37910 + (NN) -16202 + (LL) 2276
1D Compatibility (HY) -20800 + (ID) 5350
Total energy: -271713.0 ( -99.93 by residue)
QMean score : 0.440
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