Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLPNPAELLPRMASDLRAHLAERGIERPRFVGIHTGGIWVAEALLREL----GNQEPLGTLDVSFYRDDFTQNGLHPQVRPSALPFEIDGQHLVLVDDVLMSGRTIRAALNELFDYGRPASVTLVCLLDLNARELPIRPDVVGQTLSLGRDERVKLVGPAPLALERKVLSSAS
4P80 Chain:A ((30-162))
-----------------------KGMNNCILVGIKTRGIYLAKRLAERIEQIEGNKVTVGELDIT------------PLVKGADIPVDITDQKVILVDDVLYTGRTVRAAMDALVDVGRPSSIQLAVLVDRGHRELPIRADYIGKNIPTSKSEKVMVQLSEVDGQDLVAIYEK-
General information:
TITO was launched using:
RESULT:
Template:
4P80.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93558 for 845 contacts (-110.7/contact) +
2D Compatibility (PS) -12609 + (NN) -5552 + (LL) 2200
1D Compatibility (HY) -14000 + (ID) 2500
Total energy: -126019.0 ( -149.13 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_4P80.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P80-query.scw
PDB file :
Tito_Scwrl_4P80.pdb
: