Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNENHEELNDQLIVRREKVDTLREEGIDPFGEKFIRSISPEEIETKFADKSKEELEEAAIEVSVAGRIMTKRVKGKVGFTHIQDRFHQLQIYIRKDAIGEDAYAVFKLADLGDIIGIKGTIFRTNTGELSVKATEFTLLSKSLRPLPDKYHGLKDVEQRYRQRYLDLITNEESQNRFVMRSKILKYTRDYMDNQGFLEVETPVL-HTIAGGAAAKPFITHH---NALDMELYLRIALELHLKRLIVGGMDKVYEIGRVFRNEGTSTRHNPEFTMLESYAAYEDYEDVMDLVEGLVSTVCKQVNGTTEITYGEYKVDLTPNWRRIHMADAVKEYVGVDFWNVTSDE-EARELAKKHDVPVTEHMTYGHILNEFFETYVEEKLI---QPTFVYGHPVEISPLAKKNKEDERFTDRFELFIVGREHANAFSELNDPIDQRERFEAQMKEREQGNDEAHGMDADFLEALEYGLPPTGGLGIGIDRLVMLLTDAPSIRDILLFPTMKHRD |
3A5Y Chain:C ((39-340)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RAAIMAEIRRFFADRGVLEVETPCMSQATVTDIHLVPFETRFVGP---GMNLWLMTSPEYHMKRLLVAGCGPVFQLCRSFRNEEMGRYHNPEFTMLEWYRPHYDMYRLMNEVDDLLQQVLD-----------------CPAAESLSYQQAFLRYLEID--PLSADKTQLREVAAKLDLS-----EDRDTLLQLLFTFGVEPNIGKEKPTFVYHFPASQASLAQISTEDHRVAERFEVYYKGIELANGFHELTDAREQQQRFEQDNRKRAARGLPQHPIDQNLIEALKVGMPDCSGVALGVDRLVMLALGAETLAEVIAF------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A5Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -88125 for 2276 contacts (-38.7/contact) +
2D Compatibility (PS) -30653 + (NN) -8640 + (LL) 15752
1D Compatibility (HY) -23600 + (ID) 5100
Total energy: -140366.0 ( -61.67 by residue)
QMean score : 0.472
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