Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGIVFNYIDPVAFNLGPLSVRWYGIIIAVGILLGYFVAQRALVKAGLHKDTLVDIIFYSALFGFIAARIYFVIFQWPYYAENPSEIIKIWHGGIAIHGGLIGGFIAGVIVCKVKNLNPFQIGDIVAPSIILAQGIGRWGNFMNHEAHGGPVSRAFLEQLHLPNFIIENMYINGQYYHPTFLYESIWDVAGFIILVNIRKHLKLGETFFLYLTWYSIGRFFIEGLRTDSLMLTSNIRVAQLVSILLILISISLIVYRRIKYNPPLYSKVGALPWPTKKVK |
2LS4 Chain:A ((6-22)) | -----------------------------------------------------------CIAVAAGAGTGYFLFSW----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2LS4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -7225 for 65 contacts (-111.2/contact) +
2D Compatibility (PS) -1556 + (NN) 1145 + (LL) 19700
1D Compatibility (HY) -400 + (ID) 150
Total energy: 11514.0 ( 177.14 by residue)
QMean score : -0.201
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