Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKIANYLLIEKN-EERYTISLTPELQDDLGTVGYVEFTDDT-NLEVDDVILNIEASKTVMAILSPLTGKVVKVNTAASQEPTLLNSEKADENWLVVLTDVDY------AAFEALENA
3HGB Chain:A ((30-147))
LHYTAEHEWIRRSGDDTVRVGITDYAQSALGDVVFVQLPVIGTAVTAGETFGEVESTKSVSDLYAPISGKVSEVNSDLDGTPQLVNSDPYGAGWLLDIQVDSSDVAALESALTTLLDA
General information:
TITO was launched using:
RESULT:
Template:
3HGB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61750 for 846 contacts (-73.0/contact) +
2D Compatibility (PS) -11680 + (NN) -1709 + (LL) 0
1D Compatibility (HY) -6400 + (ID) 1300
Total energy: -82839.0 ( -97.92 by residue)
QMean score : 0.563
(partial model without unconserved sides chains):
PDB file :
Tito_3HGB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HGB-query.scw
PDB file :
Tito_Scwrl_3HGB.pdb
: