Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKRTSYCGELNEAHIGQSVVLHGWVQKRRDLGGLIFIDLRDREGIVQVVF-NPEFSKEALEIADSVRNEFVVTIKGTVHARGEKAINEKLATGKVEVLAEEITILNTSKTP-PFYIEDGVNVSDELRLKYRYLDLRRPEMNNIFKMRHTVTRTFRNKLDALGFFDIETPYLTKSTPEGARDYLVPSRVYPGNFYALPQSPQILKQLLMTAGFDKYYQIVRCFRDEDLRGDRQ-PEFTQIDLETSFLT-KEEIQAITEDML---VDVVKE--AKNITI--------EKPFPRMTYKEAMDRFGSDKPDIRFGLELQNVSDVVKDVDFKVFQSAIENGGEVKAINAKAAAANFSRKDLDALGVFVANYGAKGLAWLKVEAGELKGPIAKFFPEDKAAELKVALQAEDGDLLLFAADKADIVAASLGALRNKLGKDLNLINEEELAFLWVTDWPLFEYDEEAERYVSAHHPFTLPKEEDIPLLETDSSKVMAEAYDIVLNGYEIGGGSLRIYKKEVQESMFRALGFTDESAKEQFGFLMDALEYGTPPHGGIALGLDRIVMILAGRNNLRDTIAFPKTGSAVDPLTNAPGEVSEAQLAELKLETVKKETN |
3NEM Chain:B ((3-302)) | ---RTHYSSEITEELNGQKVKVAGWVWEVKDLGGIKFLWIRDRDGIVQITAPKKKVDPELFKLIPKLRSEDVVAVEGVVN------FTPKAKLG-FEILPEKIVVLNRAETPLPLDPTGKVKAELDTRLDNRFMDLRRPEVMAIFKIRSSVFKAVRDFFHENGFIEIHTPKIIATATEGGTE-LFPMKYFEEDAF-LAQSPQLYKQIMMASGLDRVYEIAPIFRAEEHNTTRHLNEAWSIDSEMAFIEDEEEVMSFLERLVAHAINYVREHNAKELDILNFELEEPKLPFPRVSYDKALEILGDLGKEIPWG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NEM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -95381 for 1814 contacts (-52.6/contact) +
2D Compatibility (PS) -30697 + (NN) -14156 + (LL) 21580
1D Compatibility (HY) -24800 + (ID) 5200
Total energy: -148654.0 ( -81.95 by residue)
QMean score : 0.491
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