Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSANDRRDRRVRVAVVFGGRSNEHAISCVSAGSILRNLDSRRFDVIAVGITPAGSWVLTDANPDALTITNRELPQVKSGSGTELALPADP-RRGGQLVSLPPGAGEVLESVDVVFPVLHGPYGEDGTIQGLLELAGVPYVGAGVLASAVGMDKEFTKKLLAADGLPVGAYAVL-RPPRSTLHRQECE-RLGLPVFVKPARGGSSIGVSRVSSWDQLPAAVARARRHDPKVIVEAAISGRELECGVLEMPDGTLEASTLGEIRVAGVRGREDSFYDFATKYLDDAAELDVPAKVDDQVAEAIRQLAIRAFAAIDCRGLARVDFFLT-DDGPVINEINTMPGFTTISMYPRMWAASGVDYPTLLATMIETTLARGVGLH |
3I12 Chain:B ((3-353)) | ---------KLRVGIVFGGKSAEHEVSLQSAKNIVDAIDKTRFDVVLLGIDKAGQWHVNDAEN---YLQNADDPAHIALRPSAISLAQVPGKHQHQLIN--AQNGQPLPTVDVIFPIVHGTLGEDGSLQGMLRVANLPFVGSDVLSSAACMDKDVAKRLLRDAGLNIAPFITLTRTNRHAFSFAEVESRLGLPLFVKPANQGSSVGVSKVANEAQYQQAVALAFEFDHKVVVEQGIKGREIECAVL--GNDNPQASTCGEIVL----------------------QVVVPAQIPSEVNDKIRAIAIQAYQTLGCAGMARVDVFLTADNEVVINEINTLPGFTNISMYPKLWQASGLGYTDLISRLIELALER----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I12.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -215367 for 2804 contacts (-76.8/contact) +
2D Compatibility (PS) -37263 + (NN) -25513 + (LL) 2188
1D Compatibility (HY) -37200 + (ID) 7700
Total energy: -320855.0 ( -114.43 by residue)
QMean score : 0.619
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