Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRILQRALTFEDVLMVPRKSSVLPKDVSLKSRLTKNIGLNIPFISAAMDTVTEHKTAIAMARLGGIGIVHKNMDIQTQVKEITKVKKSESGVINDPIFIHAHRTLADAKVITDNYKISGVPVVDDKGLLIGILTNRDVRFETDLSKKVGDVMTKMPLVTAHVGISLDEASDLMHKHKIEKLPIVDKDNVLKGLIT---------IKDIQKRIEYPEANKDDFGRLRVGAAIGVGQLDRAEMLVKAGVDALVLDSAHGHSANILHTLEEIK-KSLVVDVIVGNVVTKEATSDLISAGADAVKVGIGPGSICTTRIVAGVGMPQVSAIDNCVEVASKFDIPVIADGGIRYSGDVAKALALGASSVMIGSLLAGTEESPGDFMIYQGRQYKSYRGMGSIGAMTKGSSDRYFQEGVASEKLVPEGIEGRVPYRGKVSDMIFQLVGGVRSSMGYQGAKNILELYQNAEFVEITSAGLKESHVHGVDITKEAPNYYG |
4R7J Chain:A ((28-380)) | ---------------------------------------------------------------------------------------------------------------------------------------KEVKIHTKLTK---NITLNMPLISAAMDTVTEHRAAIMMA-RLGGLGVIHKNMDIASQVREVKRVKKSE----KKRKEYPDANKDNFGRLRVGAAIGVGQMDRVDALVEAGVDVVVLDSAHGHSKGIIDTVKAIKAKYPNLDLIAGNIATAAAAKALCEAGVDAVKVGIGPGSICTTRIVSGVGVPQISAIDECVEEANKFGVPVIADGGIKYSGDIAKALAVGASSVMIGSLLAGTDESPGELFTYQGRQYKSYRGMGSLGAMQK---------------LVPEGIEGRVPYVGSIRSVVHQLLGGLRSSMGYVGAKDIEDFQKRAEFVEITTAGLKESHVHDVTITHEAPNYK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4R7J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -137955 for 2767 contacts (-49.9/contact) +
2D Compatibility (PS) -34027 + (NN) -7411 + (LL) 11300
1D Compatibility (HY) -32400 + (ID) 10100
Total energy: -210593.0 ( -76.11 by residue)
QMean score : 0.463
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