Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTQATPLTPVISRHWDDPESWTLATYQRHDRYRGYQALQKAL-----TMPPDDVISIVKDSGLRGRGGAGFATGTKWSFIPQGDTGAAAKPHYLVVNADESEPGTCKDIPLMLATPHVLIEGVIIAAYAIRAHHAFVYVRGEVVPVLRRLHNAVAEAYAA-GFLGRNIGGSGFDLELVVHAGAGAYICGEETALLDSLEGRRGQPRLRPPF-PAVAGLYGCPTVINNVETIASVPSIILGGIDWFRSMGSEKSPGFTLYSLSGHVTRPGQYEAPLGITLRELLDYAGGVRAGHRLKFWTPGGSSTPLLTDEHLDVPLDYEGVGAAGSMLGTKALEIFDETTCVVRAVRRWTEFYKHESCGKCTPCREGTFWLDKIYERLETGRGSHEDIDKLLDISDSILGKSFCALGDGAASPVMSSIKHFRDEYLAHVEGGGCPFDPRDSMLVANGVDA |
3THI Chain:A ((1-362)) | -----ITLKVAIYPYVPDPARFQAAVLDQWQRQEPGVKLEFTDWDSYSADPPDDLDVFVLDSIFLSHFVDA---GYLLPFGSQDIDQAEDVLPFALQGAKRN--GEVYGLPQILCT------------------NLLFYRKGD--LKIGQVDN-IYELYKKIGTSHSEQIPPPQNKGLLINMAGGTTKASMYLEALIDVTGQYTEYDLLPPLDPLNDKVIRGLRLLINMAGEKPSQYVPEDGDAYVRASWFAQGSGRAFIGYSESMMRMG--------------DYAEQVRFK---PISSSAGQDIPLFYSDVVSVNSKT-----AHPELAKKLANVMASADTVEQALRPQAD---GQYPQYLLPAR------HQVYEALMQDYPIYSELAQIVNKPSNRV----FRLGPEVRTWLKDAKQVLPEALG------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3THI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -75606 for 3085 contacts (-24.5/contact) +
2D Compatibility (PS) -38223 + (NN) -18081 + (LL) 6404
1D Compatibility (HY) -9200 + (ID) 3300
Total energy: -138006.0 ( -44.73 by residue)
QMean score : 0.182
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