Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAELTLQERLQPSLLDRLTDDEPGNLKEAAERRVLTLNQLKASVLRDLAWLFNTTSLFDHGPAARMPAGNSVLNYGLPALAGHTASSVDVHAIEALLTETIATFEPRIIRSSLRVRAQLLPGEMDHNALSFEIEGDLWAEPAPLRLLLTTNLDLETGHVRVAQGERRRT
1WPI Chain:A ((1-133))
MSFWKTLQR-QPRTISLFTNDIASNIKSQKCLQLLK---------GDVSHRFDVEIANRFPTWDQLQYMRTSCPQGPVSLQRQ------IPKLDSVLK---YKHTDPTFGMDLQKCVQ----------------RGLW-NPKEALWVDWENKLVGNEPADIDKYIIQRK
General information:
TITO was launched using:
RESULT:
Template:
1WPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10466 for 1082 contacts (-9.7/contact) +
2D Compatibility (PS) -12929 + (NN) 4340 + (LL) 2952
1D Compatibility (HY) -3200 + (ID) 1050
Total energy: -20353.0 ( -18.81 by residue)
QMean score : 0.076
(partial model without unconserved sides chains):
PDB file :
Tito_1WPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WPI-query.scw
PDB file :
Tito_Scwrl_1WPI.pdb
: