Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEAGPQRIAQMLAELVELFKTEALHRLPVKSWDVRHAREAYRFLSQARHVGKVVLTMPDAWAAGTVLITGGTGMAGSAVARHLVSRYGVRQVVLASRAGEHTESVAALVDELGSAGARVQVVSCDVADRDAVAGLVASQPD---LTAVFHAAGVL-DDAVITGLTPERVDKVLRAKVDGAWNLHELTRHLDVSAFVLFSSMAGIVGAPGQANYAAANAFLDGLAAYRRSRGLAALSVAWGLWEQASAMTEHLGERDRVRMSRVGLAPLPTNQAMGFLDAALLADRPVVVAARLDRAALAGAELPALFSQLVAGPIRRIIDGADEVSGSGLASRLHGLTPEQRHRELTELVCSNAAIVLGHSGTEIDAHKAFQDLGFDSLTAVELRNRLKTATGLTLPPTLIFDYPTAAELAEHLDIQLANAPAVTVDQPNPSTRFNEVTRELQALLDQPNWNPDDKTRLIKRLQAILTDCTAPPASSGPSTTHDDEDITTATESQLFAILDDELGP |
3MJE Chain:A ((240-456)) | ---------------------------------------------------------------GSVLVTGGTGGIGGRVARRLAEQ-GAAHLVLTSRRGADAPGAAELRAELEQLGVRVTIAACDAADREALAALLAELPEDAPLTAVFHSAGVAHDDAPVADLTLGQLDALMRAKLTAARHLHELTADLDLDAFVLFSSGAAVWGSGGQPGYAAANAYLDALAEHRRSLGLTASSVAWGTWGEVGM---------HDRLVRQGVLAMEPEHALGALDQMLEND------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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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) -150514 for 1723 contacts (-87.4/contact) +
2D Compatibility (PS) -22424 + (NN) -12203 + (LL) 20636
1D Compatibility (HY) -12800 + (ID) 5200
Total energy: -182505.0 ( -105.92 by residue)
QMean score : 0.518
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