Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTIEINQLKIEVADRVLVEIPHLLVSKKARIGIIGQNGLGKTTLMEVIAGAKEATSGTVTT-----------QGKLAYIKQLSTD--------------------------------------------TSTKSGGEKTRKATQHAMRQNPSVLLADEPTSNLDVESVKHLERQWSDF----HGALIIISHDRAFLDALCTEIWEIKNQKIHVYKGNYHAYLEQKQQQENQAELAYKEFKNKKKQLQASQTHHEIEAGRIVKPGKRLNNKEASAFKAGKGTQQKKQHSTIKALEKRIERLGNVEKPHTTKPIKIITPDNRVIKKGNTILSAKETAYEIAGRKLFETKAFSIKAGDKVALIGENASGKTTFLKEIIQENPNLLCNPQAKIAYFDQELNGLNQTKSLLENISEISVQTKQVNREVLGSMHFKESDLHKEVRMLSGGERVKLLLSMLLLSDANFLILDEPTNYLDIYAMEALETLIKQFAGTVLFVSHDRTFVNHVAEQLLVIENNEMNFHRMTFAEYEESKAPSRITEEDKLILEMRMSEIAAKLMQPNLKPTEKAILEQDYQEIITKRQQFS |
2IT1 Chain:A ((1-220)) | MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQV-GTPDE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -71903 for 1234 contacts (-58.3/contact) +
2D Compatibility (PS) -17268 + (NN) -2515 + (LL) 28700
1D Compatibility (HY) -6800 + (ID) 2050
Total energy: -71836.0 ( -58.21 by residue)
QMean score : 0.672
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