Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSKNTICLWYDSAALEAATFYAETFPDSAVLAVHRAPGDYPSGKEGDVLTVEFRVMGIPCLGLNGGPAF-----RHSEAFSFQVATDDQAETDRLWNAIVDNGGE----------ESACGWCRDKWGISWQITPRVLSEAIASPDRAAARRAFEAMMTMGRIDIATIEKAFKG
3ITW Chain:A ((1-120))
----MVVELAYT-DPDRAVDWLVRVFGFRLLLR-QP--------AIGTIRHADLDTGGGIVMVRRTGEPYTVSCAGGHTCKQVIVWV---SDVDEHFMRSTAAGADIVQPLQDKPWGLRQYLVRDLEGHLWEFTRHL-------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3ITW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61872 for 715 contacts (-86.5/contact) +
2D Compatibility (PS) -11652 + (NN) -7503 + (LL) 3232
1D Compatibility (HY) -2000 + (ID) 800
Total energy: -80595.0 ( -112.72 by residue)
QMean score : 0.387
(partial model without unconserved sides chains):
PDB file :
Tito_3ITW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ITW-query.scw
PDB file :
Tito_Scwrl_3ITW.pdb
: