Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAELTLQERLQPSLLDRLTDDEPGNLKEAAERRVLTLNQLKASVLRDLAWLFNTTSLFDHGPAARMPAGNSVLNYGLPALAGHTASSVDVHAIEALLTETIATFEPRIIRSSLRVRAQLLPGEMDHNALSFEIEGDLWAEPAPLRLLLTTNLDLETGHVRVAQGERRRT
2I52 Chain:A ((31-70))
-----------------------------------------------------------------------------HQYTGIPVNSENASMAEEFIERSTMI-QPFVE--NVRISINNVYSYSSLNEKMLHAEVLINYNGKKVLGVLNYDEGLDYPVMYAKEVL----
General information:
TITO was launched using:
RESULT:
Template:
2I52.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -15462 for 190 contacts (-81.4/contact) +
2D Compatibility (PS) -4194 + (NN) -1113 + (LL) 5448
1D Compatibility (HY) -400 + (ID) 250
Total energy: -15971.0 ( -84.06 by residue)
QMean score : 0.354
(partial model without unconserved sides chains):
PDB file :
Tito_2I52.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I52-query.scw
PDB file :
Tito_Scwrl_2I52.pdb
: