Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNDNEKRVLREIYNHHNISRTQISKNLEINKATISSILNKLKYKSLVNEVGEGDSTKSGGRKPILLKVNHLYGYFISLDLTYSSVEVMYNYFDGNVIKHESYDLPDEKVSSILSIIKKHIDIQEKLDTYNGLLGVSVSIHGVVDNEQHVTYLPFHETEGISIAKKIKEITNVPVVVENEANLSALYERNFNHNLSYNNLIALSIHKGIGAGLIINNQLYRGANGEAGEIGKTLVSKVSDNVEIFHKIEDIFSQEALLHNLSNQLNEKMTLSKLIQFYNEKNPVVVEEMEQFINKIAVLIHNLNTQFNPNAIYINCPLFNEMPEILEAIKNQFKQYSRNEIQIKLTSNVKFATLLGGTLAIIQKVLQINDIYLDIKA |
4IJA Chain:B ((24-397)) | --DNEKRVLREIYNHHNISRTQISKNLEINKATISSILNKLKYKSLVNEV-------------ILLKVNHLYGYFISLDLTYSSVEVMYNYFDGNVIKHESYDLPDEKVSSILSIIKKHIDIQEKLDTYNGLLGVSVSIHGVVDNEQHVTYLPFHETEGISIAKKIKEITNVPVVVENEANLSALYERNFNHNLSYNNLIALSIHKGIGAGLIINNQLYRGANGEAGEIGKTLVSKVSDNVEIFHKIEDIFSQEALLHNLSNQLNEKMTLSKLIQFYNEKNPVVVEEMEQFINKIAVLIHNLNTQFNPNAIYINCPLFNEMPEILEAIKNQFKQYSRNEIQIKLTSNVKFATLLGGTLAIIQKVLQINDIYLDIKA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IJA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -247545 for 2974 contacts (-83.2/contact) +
2D Compatibility (PS) -38572 + (NN) -15139 + (LL) -448
1D Compatibility (HY) -57200 + (ID) 18050
Total energy: -376954.0 ( -126.75 by residue)
QMean score : 0.556
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