Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEAGPQRIAQMLAELVELFKTEALHRLPVKSWDVRHAREAYRFLSQARHVGKVVLTMPDAWAAGTVLITGGTGMAGSAVARHLVSRYGVRQVVLASRAGEHTESVAALVDELGSAGARVQVVSCDVADRDAVAGLVASQ---PDLTAVFHAAGVLD-DAVITGLTPERVDKVLRAKVDGAWNLHELTRHLDVSAFVLFSSMAGIVGAPGQANYAAANAFLDGLAAYRRSRGLAALSVAWGLWEQASAMTEHLGERDRVRMSRVGLAPLPTNQAMGFLDAALLADRPVVVAARLDRAALAGAELPALFSQLVAGPIRRIIDGADEVSGSGLASRLHGLTPEQRHRELTELVCSNAAIVLGHSGTEIDAHKAFQDLGFDSLTAVELRNRLKTATGLTLPPTLIFDYPTAAELAEHLDIQLANAPAVTVDQPNPSTRFNEVTRELQALLDQPNWNPDDKTRLIKRLQAILTDCTAPPASSGPSTTHDDEDITTATESQLFAILDDELGP |
3MJE Chain:A ((239-468)) | --------------------------------------------------------------HGSVLVTGGTGGIGGRVARRLAE-QGAAHLVLTSRRGADAPGAAELRAELEQLGVRVTIAACDAADREALAALLAELPEDAPLTAVFHSAGVAHDDAPVADLTLGQLDALMRAKLTAARHLHELTADLDLDAFVLFSSGAAVWGSGGQPGYAAANAYLDALAEHRRSLGLTASSVAWGTWGEVG-M--------HDRLVRQGVLAMEPEHALGALDQMLENDDTAAAITLMDWE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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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) -169111 for 1883 contacts (-89.8/contact) +
2D Compatibility (PS) -23874 + (NN) -12552 + (LL) 19168
1D Compatibility (HY) -12000 + (ID) 5200
Total energy: -203569.0 ( -108.11 by residue)
QMean score : 0.545
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