Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKQSADKRRIEKNDKPFFYLADTVWSAFTNIDLTDWAYYLKVRKEQGFNVLQINILPQWDRSVLKKIQEPFGINEGFFDLKAKNEAYFKHAEKMLEMAVNQGFTPALVLLWCNY--IPE----TWGAKFGTSPLF----RKEDIKPYTEMMLEHFEQF-EPI-YIISGDTDFP---TETVTDYYLEALETVSKKAPHALKVLHICGRLKDI------------PENL---QTHPALDLYFYQSGHNSEHQ--SMAYTLAEHF--SQLEPIKPVINSEPCYELMGYSRQKYGRFSREDVRKAAWQSVLSGAIAGISYGAHGIWSWHEEGSTFGSALGEGFVSPFNWRQALHFEGATDYAFLKSFILANDLTTLAPINLVLNQTPEIRAAETEKVVIIYVPSNVPIYLKGQFVSLDDYAIDLEQGKKVSLAKILHEEKTEIQMTPFLKDSLYVIHK |
3WFL Chain:A ((4-280)) | ---PGTNGLDFTIDGTAGYFAGSNAYWLAFLTNNDDVDKVLGDAESSGLRIMRVWGFNDVNTVPS-SGTVYFQLLQDGTATINTGSDGLERLDYVVSSAEQHNVKLIINFVNNWSDYGGIPAYVNAFGG-STTSWYTDEASQAAYRNYIKTVVSRYIDSPAVFAWELANEPRCHGCDTSVIYNWVAATSSFIKSIDSQHLVCIGDEGLGLDIDSDGSYPYSYYEGTNFTLNLGVDTIDFGTFHLYPSSWGVSNSFGSPWVTAHGAACAAAGKPCLFEEYGVT----------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WFL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -101964 for 1912 contacts (-53.3/contact) +
2D Compatibility (PS) -25658 + (NN) -10438 + (LL) 13152
1D Compatibility (HY) -4400 + (ID) 950
Total energy: -130258.0 ( -68.13 by residue)
QMean score : 0.348
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