Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MANERSKLAFKKTFPVFKRFLQSKDLALVVFVIAILAIIIVPLPPFVLDFLLTISIALSVLIILIGLYIDKPTDFSAFPTLLLIVTLYRLALNVATTRMILTQGYKGPSAVSDIITAFGEFSVSGNYVIGAIIFSILVLVNLLVVTNGSTRVTEVRARFALDAMPGKQMAIDADLNSGLIDDKEAKKRRAALSQEADFYGAMDGASKFVKGDAIASIIITLINIIGGFLVGVFQRDMSLSFSASTFTILTIGDGLVGQIPALIIATATGIVATRTTQNEEEDFASKLITQLTNKSKTLVIVGANLLLFATIPGLPTFSLAFVGTLFLFIAWLISREGKDGLLTKLENYLSQKFGLDLSEKPHSSKIKPHAPTTKTKTPEEIKREEEQAIDEVLKIEFLELALGYQLISLADMKQGGDLLERIRGIRKKIASDYGFLMPQIRIRDNLQLPPTHYEIKLKGIVIGEGMVMPDKFLAMNTGFVNREIEGIPTKEPAFGMDALWIDAKNKEEAIIQGYTIIDPSTVIATHTSELVKKYAEDFITKDEVKSLLERLAKDYPTIVEESKKIPTGAIRSVLQALLHEKIPIKDMLTILETITDIAPLVQNDVNILTEQVRARLSRVITNAFKSEDGRLKFLTFSTDSEQFLLNKLRENGTSKSLLLNVGELQKLIEGVSEEAMKVLQKGIAPVILIVEPNLRKALSNQMEQARIDVVVLSHAELDPNSNFEALGTIHINF |
3M21 Chain:A ((20-46)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QQLIEGVSDLMVKVLNKNKASIVVIIDEVDSNNYGLGGESVHHLRQ----------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3M21.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -6283 for 119 contacts (-52.8/contact) +
2D Compatibility (PS) -2989 + (NN) -1437 + (LL) 54608
1D Compatibility (HY) -4000 + (ID) 650
Total energy: 39249.0 ( 329.82 by residue)
QMean score : 0.407
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