Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVDMFIKIGDVKGESKDKTHAEEIDVLAWSWGMSQSGSMHMGGGGGAGKVNVQDLSFTKYIDKSTPNLMMACSSGKHYPQAKLT-IRKAGGENQVEYLIITLKEVLVSSVSTGGSGGEDRLTENVTLNFAQVQVDYQPQKADGAKDGGPVKYGWNIRQNVQA
3HE1 Chain:A ((92-145))
---------------------------------------------------------ITKVFDKASPLLLAALTSGERLTKVEIQWYRTSAAGTQEHYYTTVLEDAIIVDIKDYMHFTHLEDVHFTYRKITWTHEVSGTSGSDDWRS----------------
General information:
TITO was launched using:
RESULT:
Template:
3HE1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -10836 for 230 contacts (-47.1/contact) +
2D Compatibility (PS) -5551 + (NN) -604 + (LL) 2580
1D Compatibility (HY) -4000 + (ID) 650
Total energy: -19061.0 ( -82.87 by residue)
QMean score : 0.138
(partial model without unconserved sides chains):
PDB file :
Tito_3HE1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HE1-query.scw
PDB file :
Tito_Scwrl_3HE1.pdb
: