Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTISERQRSLLEKLNDSQKTVTAKALSEMLGVSSKTVRNDIMQINQSFSSTIIASKAGKGYFLMPNEQLSQMNLTKNNENLHFELLRHIIEQDHTNFYDLADQFFISESTLARIIKELNIVIAEKDESLCIIRKNNELLTEGGEEEKRRIFNLFLNQEIENHQLSLDKYADYFDYCNLKQLSELIIAYHKKHEFFMNDFSTISFILHIAVLIERISMGSYIERTALLEQDKTSLEMAAHLAETLEKELQINIPTQELSYIARLYSGKLTTTSTIDAQVFGSVVTRLLEAVDQNFHIDFSADEKIATYLVAHISALYKRANHKQYLTNPLTEELKNKFPFIYNVSVYASAFIQKELAITFPDDEIAYIALHFLSASETINHGKKRKILLVTPYGAGSQRLIHNQLKKIPDFSIDLLVSQSIFDIKQFTLDKEIHLILTAEPLNLTTDIPVYHYDLLLAESDLQKIKHILETKQKTESISRKFFKKELFFPKQNFKSKEETITFLCEQLTAFDYC-APDYVAKVFEREQLSSTCYGNYYAIPHAIQRSAKKNAVAVCSLDKPIDWGG---NRVKLVLLLTMKEERDNSFEELFGQLVTILNERSFVKKLAKQEDFQQFIELCEQKTLDS |
2A0J Chain:A ((3-147)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LIGEILPLSHIVLDMEVGSKKRLFEEAGLLLERESSLSHADVFECLFAREKLGSTGLGQGVAIPHGRHAGVKQATGAFIRTREPVGFDAPDGKPVSLIFILLVPENATGEHLEVLSKLAGKFSQKSIRESLMTVSSAEEVRAILT------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2A0J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104872 for 1087 contacts (-96.5/contact) +
2D Compatibility (PS) -15024 + (NN) -4983 + (LL) 39828
1D Compatibility (HY) -8000 + (ID) 1300
Total energy: -94351.0 ( -86.80 by residue)
QMean score : 0.548
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