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 |
| 3NEL Chain:A ((3-302)) | ---RTHYSSEITEELNGQKVKVAGWVWEVKDLGGIKFLWIRDRDGIVQITAPKKKVDPELFKLIPKLRSEDVVAVEGVVN------FTPKAKLG-FEILPEKIVVLNRAETPLPLDPTGKVKAELDTRLDNRFMDLRRPEVMAIFKIRSSVFKAVRDFFHENGFIEIHTPKIIATATEGGTE-LFPMKYFEEDAF-LAQSPQLYKQIMMASGLDRVYEIAPIFRAEEHNTTRHLNEAWSIDSEMAFIEDEEEVMSFLERLVAHAINYVREHNAKELDILNFELEEPKLPFPRVSYDKALEILGDLGKEIPWG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NEL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -89760 for 1803 contacts (-49.8/contact) +
2D Compatibility (PS) -30979 + (NN) -13644 + (LL) 21580
1D Compatibility (HY) -24800 + (ID) 5200
Total energy: -142803.0 ( -79.20 by residue)
QMean score : 0.470
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