Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVDMF-IKIGDVKGESKDKTHAEEIDVLAWSWGMSQSGS-MHMGGGGGAGKVNVQDLSFTKYIDKSTPNLMMACSSGKHYPQAKLTIRKAGGEN-QVEYLIITLKEVLVSSVSTG-GSGGEDRLTENVTLNFAQVQVDYQPQKADGAKDGGPVKYGWNIRQNVQA
3HE1 Chain:A ((24-190))
-ATPAYMSITGTKQGLITAGAFTEDSVGNTYQEGHE-DQVMVQGFNHEVIIPRVHKPVVITKVFDKASPLLLAALTSGERLTKVEIQWYRTSAAGTQEHYYTTVLEDAIIVDIKDYMHFTH----LEDVHFTYRKITWTHEVS-------GTSGSDDWRS------
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) -7000 for 1041 contacts (-6.7/contact) +
2D Compatibility (PS) -14861 + (NN) -1149 + (LL) 1320
1D Compatibility (HY) -1200 + (ID) 1050
Total energy: -23940.0 ( -23.00 by residue)
QMean score : 0.253
(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
: