Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSIKTITPKDFIFRVLSGVAIGIVAGLVPNAILGEIFKYFMDYHPIFKTLLGVVVAIQFTVPALIGALVAMKFDLSPLAIAVVASAAYVGSGAAQFKNGAWMITGIGDLINTMITAAIAVLFILLIQHRVGSMALIVFPTVVGGISGAIGVLILPYTKMITTAIGNMVNGFTELQPIVMSILISMVFSLIIISPLSTVAIAFAIGITGLAAGSASIGISATEAVLIIGTSKVNRLGVPLSVFFGGVKMMIPNMVKYPILMLPILTTAIVSGLVSALVGIHGTKESAGFGFIGMVGPINAFKFMEVDSAWLSVLLIVVAFFVVPFVTAWLADIIYRKVFRLYTNDIFKFMG |
3QAK Chain:A ((69-155)) | ----------------------------------------------------------------------------------------------------------------------------------------------------AVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVL----------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QAK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -50774 for 419 contacts (-121.2/contact) +
2D Compatibility (PS) -7575 + (NN) 4797 + (LL) 23460
1D Compatibility (HY) -7600 + (ID) 1200
Total energy: -38892.0 ( -92.82 by residue)
QMean score : -0.088
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