Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSIKTITPKDFIFRVLSGVAIGIVAGLVPNAILGEIFKYFMDYHPIFKTLLGVVVAIQFTVPALIGALVAMKFDLSPLAIAVVASAAYVGSGAAQFKNGAWMITGIGDLINTMITAAIAVLFILLIQHRVGSMALIVFPTVVGGISGAIGVLILPYTKMITTAIGNMVNGFTELQPIVMSILISMVFSLIIISPLSTVAIAFAIGITGLAAGSASIGISATEAVLIIGTSKVNRLGVPLSVFFGGVKMMIPNMVKYPILMLPILTTAIVSGLVSALVGIHGTKESAGFGFIGMVGPINAFKFMEVDSAWLSVLLIVVAFFVVPFVTAWLADIIYRKVFRLYTNDIFKFMG |
3PWH Chain:A ((55-139)) | -----------------------------------------------------------------------------------------------------------------------------------------------------VGVLAIPFAITISTGFCAACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVL----------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46631 for 404 contacts (-115.4/contact) +
2D Compatibility (PS) -7538 + (NN) 3668 + (LL) 23604
1D Compatibility (HY) -7600 + (ID) 1200
Total energy: -35697.0 ( -88.36 by residue)
QMean score : -0.135
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