Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MATLKIQDLHVEIEGKEILKGVNLEISTGEIHAIMGPNGTGKSTLSSAIMGHPKYEVTQGTITLDGEDVLEMEVDERARAGLFLAMQYPSEISGVTNAEFIRAAINSRREEGDEIPVMQFIRKLDAKMDILDMDEEMAERYLNEGFSGGEKKRNEILQLLMIEPKLAILDEIDSGLDIDALKVVSKGVNEMRG-EGFGCLIITHYQRLLNYITPDFVHVMMQGKVVKEGGPELAKRLEAEGYDWIKQELGIELEEEEAVDQQ |
| 2IT1 Chain:A ((1-221)) | MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAG--IYKPTSGKIYFDEKDVTELPPK---DRNVGLVFQNWALYPHMTVYKNIAFPLELRKAP-----REEIDKKVREVAKMLHIDK-LLN-RYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEAL-AMADRIAVIREGEILQVGTPDEV---------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112553 for 1800 contacts (-62.5/contact) +
2D Compatibility (PS) -23769 + (NN) -7374 + (LL) 3056
1D Compatibility (HY) -9600 + (ID) 2950
Total energy: -153190.0 ( -85.11 by residue)
QMean score : 0.476
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