Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRLNKLVLGIIFLFLVISITAGCGIGKEAEVKKSFEKTLSMYPIKNLEDLYDKEGYRDDQFDKNDKGTWIINSEMVIQPNNEDMVAKGMVLYMNRNTKTTNGYYYVDVTKDEDEGKPHDNEKRYPVKMVDNKIIPTKEIKDKNIKKEIENFKFFVQYGNFKDLSKYKDGDISYNPEVPSYSAKYQVTNDDYNVKQLRKRYDIPTNKAPKLLLKGTGNLKGSSVGYKDIEFTFVEKKGENIYFSDSLHLEPSEDK |
2AP3 Chain:A ((3-17)) | ---------------MGIQRPTSTTT------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AP3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -787 for 29 contacts (-27.1/contact) +
2D Compatibility (PS) -836 + (NN) 2216 + (LL) 12748
1D Compatibility (HY) 800 + (ID) 50
Total energy: 14091.0 ( 485.90 by residue)
QMean score : -0.614
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