Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKETLILLYGGRSAEREVSVLSAESVMRAINYDKFFVKTYFITQVGQFIKTQEFDEMPSSDEKLMTNQTVDLDKMVRP-SDIYDDNAIVFPVLHGPMGEDGSIQGFLEVLRMPYVGTNILSSSVAMDKITTKQVLATVGVPQVAYQTYFEGDDLEHAIKLSLETLSFPIFVKPANMGSSVGISKATDESSLRSAIDLALKYDSRILIEQGVTAREIEVGILGN--NDVKTTFPGEVVKD------VDFYDYDAKYIDNKITMDIPAKVDEATMEAMRQYASKAFKAIGACGLSRCDFFLTKDGQIFLNELNTMPGFTQWSMYPLLWENMGLTYSDLIEKLVMLAKEMFEKRESHLI |
3LWB Chain:A ((8-368)) | DRRVRVAVVFGG-----AISCVSAGSILRNLDSRRFDVIAVGITPAGSWVLTDAN------------------VSLPPGAGEVLESVDVVFPVLHGPYGEDGTIQGLLELAGVPYVGAGVLASAVGMDKEFTKKLLAADGLPVGAYAVLRPPRS-TL-HRQECERLGLPVFVKPARGGSSIGVSRVSSWDQLPAAVARARRHDPKVIVEAAISGRELECGVLEMPDGTLEASTLGEIRVAGVRGREDSFYDFATKYLDDAAELDVPAKVDDQVAEAIRQLAIRAFAAIDCRGLARVDFFLTD-DGPVINEINTMPGFTTISMYPRMWAASGVDYPTLLATMIETTLAR--------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3LWB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187264 for 2632 contacts (-71.1/contact) +
2D Compatibility (PS) -34215 + (NN) -10471 + (LL) 2516
1D Compatibility (HY) -25200 + (ID) 5950
Total energy: -260584.0 ( -99.01 by residue)
QMean score : 0.529
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