Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPGKALRVMLCAWSCLLAGQASALGVGDIILHSALNQPLDADIELLDVGDLGADEIEVRLAGADVFAAAGVERLQFLNELRFSPVLQGRGGNRIHVSSIRPVQEPYLNFLVEVARPNGRIVREFTVLLDPLGYTPRMLPAARSGIEPQRQSSTPVPAPRSAAVVVDPALLEPGDEYLARPSDNLWAISGRLRGAGNADRAQLMEALYQLNPQAFVNADRHRLKAGARLRLPAGYQPERGAPGAVKEAAVEVLPPADAAVVENAPAALVEAQRQADAEAEALARQREELSQRMDDLQRQLQALQEQLQQRDHQVAELQQQLARRQAVRPAAPPPAAAAPSVAQPVETPTDSQYWRWMIVLLLVLALLGVLLLRRRREEAPVPAVEPKRRVALNLPLRRAPRPPAAAPAPAKVEEQARPPVAAPSSPPPSPPPAPAAAPRAAMAAADKLDGADIYIAYGRYGQARDLLRQVLAEQPQRLSARMKLLLVLAELGDAAGFDALAEETLASGGNPEAIDELRGRYPALLQMPATETPAATTKDDDWSDLPLAESPVLQQPDATSGADGFGDLNLDLDLDWGALENPLDNPDLPRRAAAGKAEPAEEPLAFESNLHELPDVAEYEHLELDQPEPATVPPEEASASLDRARACIDSGDLDQASRILRLVVAHGDPWQKAEARELLALIA |
1NA3 Chain:A ((14-66)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLGNAYYKQGDYDEAIEYYQKALELDPNNAEAWYNLGNAYYKQGDYDEAIEYY-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1NA3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -26571 for 348 contacts (-76.4/contact) +
2D Compatibility (PS) -5991 + (NN) -5126 + (LL) 41380
1D Compatibility (HY) -400 + (ID) 500
Total energy: 2792.0 ( 8.02 by residue)
QMean score : 0.552
|
|
|