Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEAGPQRIAQMLAELVELFKTEALHRLPVKSWDVRHAREAYRFLSQARHVGKVVLTMPDAWAAGTVLITGGTGMAGSAVARHLVSRYGVRQVVLASRAGEHTESVAALVDELGSAGARVQVVSCDVADRDAVAGLVASQPD---LTAVFHAAGVL-DDAVITGLTPERVDKVLRAKVDGAWNLHELTRHLDVSAFVLFSSMAGIVGAPGQANYAAANAFLDGLAAYRRSRGLAALSVAWGLWEQASAMTEHLGERDRVRMSRVGLAPLPTNQAMGFLDAALLADRPVVVAARLDRAALAGAELPALFSQLVAGPIRRIIDGADEVSGSGLASRLHGLTPEQRHRELTELVCSNAAIVLGHSGTEIDAHKAFQDLGFDSLTAVELRNRLKTATGLTLPPTLIFDYPTAAELAEHLDIQLANAPAVTVDQPNPSTRFNEVTRELQALLDQPNWNPDDKTRLIKRLQAILTDCTAPPASSGPSTTHDDEDITTATESQLFAILDDELGP |
3MJT Chain:A ((240-456)) | ---------------------------------------------------------------GSVLVTGGTGGIGGRVARRLAEQ-GAAHLVLTSRRGADAPGAAELRAELEQLGVRVTIAACDAADREALAALLAELPEDAPLTAVFHSAGVAHDDAPVADLTLGQLDALMRAKLTAARHLHELTADLDLDAFVLFSSGAAVWGSGGHPGYAAANAYLDALAEHRRSLGLTASSVAWGTWGEVGMATD---PEVHDRLVRQGVLAMEPEHALGALDQMLEND------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MJT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -145900 for 1772 contacts (-82.3/contact) +
2D Compatibility (PS) -23231 + (NN) -12620 + (LL) 20144
1D Compatibility (HY) -12400 + (ID) 5200
Total energy: -179207.0 ( -101.13 by residue)
QMean score : 0.513
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