Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--KDAELQEREYHLKELREQLAKQTVAIAELTEELQSKCIQL---NKLQ
1IRQ Chain:A ((24-71))
IMGDKTVRVRADLHHIIKIETAKNGGNVKEVMDQALEEYIRKYLPDKL-
General information:
TITO was launched using:
RESULT:
Template:
1IRQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -4720 for 189 contacts (-25.0/contact) +
2D Compatibility (PS) -4611 + (NN) -1708 + (LL) 120
1D Compatibility (HY) -400 + (ID) 400
Total energy: -11719.0 ( -62.01 by residue)
QMean score : 0.631
(partial model without unconserved sides chains):
PDB file :
Tito_1IRQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IRQ-query.scw
PDB file :
Tito_Scwrl_1IRQ.pdb
: