Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNNGHLNQILLITDGCSNHGEDPLAMAAFAKEQGITVNVIGIMEENQIDPEAMKEVEGIALAGGGVHQVVYASQLSQTVQMVTKKAMTQTLQGVVNQELKQILGKNVEMEELSPEKRGEVMEVVDELGETVHLQVLVLVDTSASMAPKLPTVKEALIDLSVSLNSRIGNNEFAMCIFPGKKQEVELVLNWTPKLQSLSTLFAKLS---TGGITPTGPAIREATLQFEKI----RSRRGMLADDERRFDEFGM |
1SHU Chain:X ((5-116)) | ----------------------------------------------------------------------------------------------------------------------------------RAFDLYFVLDKSGSVANNWIEIYNFVQQLAERFVS--PEMRLSFIVFSSQATIILPLT---GDRGKISKGLEDLKRVSPVGETYIHEGLKLANEQIQKAGGLKTSSIIIALTDGKLD----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1SHU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -42462 for 760 contacts (-55.9/contact) +
2D Compatibility (PS) -10974 + (NN) -1414 + (LL) 10440
1D Compatibility (HY) -5200 + (ID) 800
Total energy: -50410.0 ( -66.33 by residue)
QMean score : 0.442
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