Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEAGPQRIAQMLAELVELFKTEALHRLPVKSWDVRHAREAYRFLSQARHVGKVVLTMPDAWAAGTVLITGGTGMAGSAVARHLVSRYGVRQVVLASRAGEHTESVAALVDELGSAGARVQVVSCDVADRDAVAGLVASQPD---LTAVFHAAGVL-DDAVITGLTPERVDKVLRAKVDGAWNLHELTRHLDVSAFVLFSSMAGIVGAPGQANYAAANAFLDGLAAYRRSRGLAALSVAWGLWEQASAMTEHLGERDRVRMSRVGLAPLPTNQAMGFLDAALLADRPVVVAARLDRAALAGAELPALFSQLVAGPIRRIIDGADEVSGSGLASRLHGLTPEQRHRELTELVCSNAAIVLGHSGTEIDAHKAFQDLGFDSLTAVELRNRLKTATGLTLPPTLIFDYPTAAELAEHLDIQLANAPAVTVDQPNPSTRFNEVTRELQALLDQPNWNPDDKTRLIKRLQAILTDCTAPPASSGPSTTHDDEDITTATESQLFAILDDELGP |
3MJS Chain:B ((240-456)) | ---------------------------------------------------------------GSVLVTGGTGGIGGRVARRLAEQ-GAAHLVLTSRRGADAPGAAELRAELEQLGVRVTIAACDAADREALAALLAELPEDAPLTAVFHSAGVAHDDAPVADLTLGQLDALMRAKLTAARHLHELTADLDLDAFVLFSSGAAVWGSGGQPGYAAANAYLDALAEHRRSLGLTASSVAWGTWGEVGMATD---PEVHDRLVRQGVLAMEPEHALGALDQMLEND------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MJS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140988 for 1759 contacts (-80.2/contact) +
2D Compatibility (PS) -23057 + (NN) -11578 + (LL) 20144
1D Compatibility (HY) -12400 + (ID) 5250
Total energy: -173129.0 ( -98.42 by residue)
QMean score : 0.549
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