Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
3K9W Chain:A ((20-179))
--GSMVVAVYPGTFDPLTRGHEDLVRRASSIFDTLVVGVADSRAKKPFFSLEERLKIANEVLGHY-PNVKVMGFTGLLKDFVRANDARVIVRGLRAVSDFEYEFQMAGMNRYLLPDVETMFMTPSDQYQFISGTIVREIAQLGGDVSKFVFPSVEKWLTEKVAAMA-
General information:
TITO was launched using:
RESULT:
Template:
3K9W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109741 for 1239 contacts (-88.6/contact) +
2D Compatibility (PS) -16931 + (NN) -5297 + (LL) 436
1D Compatibility (HY) -15200 + (ID) 3600
Total energy: -150333.0 ( -121.33 by residue)
QMean score : 0.459
(partial model without unconserved sides chains):
PDB file :
Tito_3K9W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K9W-query.scw
PDB file :
Tito_Scwrl_3K9W.pdb
: