Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEAGPQRIAQMLAELVELFKTEALHRLPVKSWDVRHAREAYRFLSQARHVGKVVLTMPDAWAAGTVLITGGTGMAGSAVARHLVSRYGVRQVVLASRAGEHTESVAALVDELGSAGARVQVVSCDVADRDAVAGLVASQPD---LTAVFHAAGVL-DDAVITGLTPERVDKVLRAKVDGAWNLHELTRHLDVSAFVLFSSMAGIVGAPGQANYAAANAFLDGLAAYRRSRGLAALSVAWGLWEQASAMTEHLGERDRVRMSRVGLAPLPTNQAMGFLDAALLADRPVVVAARLDRAALAGAELPALFSQLVAGPIRRIIDGADEVSGSGLASRLHGLTPEQRHRELTELVCSNAAIVLGHSGTEIDAHKAFQDLGFDSLTAVELRNRLKTATGLTLPPTLIFDYPTAAELAEHLDIQLANAPAVTVDQPNPSTRFNEVTRELQALLDQPNWNPDDKTRLIKRLQAILTDCTAPPASSGPSTTHDDEDITTATESQLFAILDDELGP |
3MJE Chain:B ((240-456)) | ---------------------------------------------------------------GSVLVTGGTGGIGGRVARRLAEQ-GAAHLVLTSRRGADAPGAAELRAELEQLGVRVTIAACDAADREALAALLAELPEDAPLTAVFHSAGVAHDDAPVADLTLGQLDALMRAKLTAARHLHELTADLDLDAFVLFSSGAAVWGSGGQPGYAAANAYLDALAEHRRSLGLTASSVAWGTWGEVGM----------DRLVRQGVLAMEPEHALGALDQMLEND------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MJE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -146644 for 1703 contacts (-86.1/contact) +
2D Compatibility (PS) -22188 + (NN) -10793 + (LL) 20736
1D Compatibility (HY) -12800 + (ID) 5200
Total energy: -176889.0 ( -103.87 by residue)
QMean score : 0.546
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