Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSAKDFLVELGTEELPPKALNSLGEAFLSGIEKGLKAAGLSYAAARFYAAPRRLAVLVEQLAVQQPDRTVNLDGPPLQAAFDASGNPTQAALGFAKKCGVDLQQIDKSGPKLRFIQTIAGQPAAGLLPGIVEASLNELPIPKRMRWAARREEFVRPTQWLVMLFGDDVVECEILAQKAGRESRGHRFHNPDNVRISSPAAYLEDLRGAHVLADFAERRELIAKRVAELAAEQQGSAIVPPSLLDEVTALVEWPVPLVCSFEERFLEVPQEALITTMQDNQKYFCLLDANGKLLPRFITVANVESKAPENIVSGNEKVVRPRLTDAEFFFKQDKKQPLESFNERLRNVVFQAQLGTVFEKAQRVSGLAAYIAERIGGNAQNASRAGILSKCDLATEMVGEFPEMQGIAGYYYATHGGEAEDVALALNEQYMPRGAGAELPSTLTGAAVAVADKLDTLVGIFGIGMLPTGSKDPYALRRAALG--VLRILIEKQLDLDLVAAVNAAVEQYGDKVKAAGLAEQVLDFVFDRLRARYEDEGVDV---------------AVYQSVRALKPSSPL---DF-------DQRVQAVQAFRQLPEAEALAAANKRVSNILAKSEDEVPPNVDASLLVEAAEKALGSAVANAESEVAPLAAARDYRAALARLAALREPVDTFFADVMVNVDDAAVRANRYALLAKLRGSFLGVADISLLG |
| 3BUS Chain:A ((37-259)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GADVSVDDATDRLTDE-MIALLDVRSGDRVLDVGCGIGKPAVRLATARDVRVTGISISRPQVNQANARATAAGLANRVTFSYADAMDLPFEDASFDAVWALESLHHMPDRGRALREMARVLRPGGTVAIADFVLLAPVEGAKKEAVDAFRAGGGVLSLGGIDEYESDV-RQAELVVTSTVDISAQARPSLVKTAEAFENARSQVEPFMGAEGLDRMIATFRGLAEVPEAGYVLIGARKP----------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BUS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -51776 for 1265 contacts (-40.9/contact) +
2D Compatibility (PS) -20325 + (NN) -6866 + (LL) 34616
1D Compatibility (HY) -5200 + (ID) 2650
Total energy: -52201.0 ( -41.27 by residue)
QMean score : 0.342
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