Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAFKLPNLPYAYDALEPYIDQRTMEFHHDKHHNTYVTKLNATVEGT-ELEHQSLADMIANLDKVPEAMRMSVRNNGGGHFNHSLFWEILSPNSEEKGGVIDDIKAQWGTLDEFKNEFANKATTLFGSGWTWLVVNDGKLEIVTTPNQDNPL----TEGKT--PILLFDVWEHAYYLKYQNKRPDYMTAFWNIVNWKKVDELYQAAK
3K9S Chain:C ((1-205))
-SYTLPSLPYAYDALEPHFDKQTMEIHHTKHHQTYVNNANAALESLPEFANLPVEELITKLDQLPADKKTVLRNNAGGHANHSLFWKGLKKGTTLQGDLKAAIERDFGSVDNFKAEFEKAAASRFGSGWAWLVLKGDKLAVVSTANQDSPLMGEAISGASGFPIMGLDVWEHAYYLKFQNRRPDYIKEFWNVVNWDEAAARFAAKK
General information:
TITO was launched using:
RESULT:
Template:
3K9S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73653 for 1586 contacts (-46.4/contact) +
2D Compatibility (PS) -20195 + (NN) -543 + (LL) 208
1D Compatibility (HY) -18000 + (ID) 4900
Total energy: -117083.0 ( -73.82 by residue)
QMean score : 0.476
(partial model without unconserved sides chains):
PDB file :
Tito_3K9S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K9S-query.scw
PDB file :
Tito_Scwrl_3K9S.pdb
: