Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVDMFIKIGD--------------VKGESKDKTHAEEIDVLAWSWGMSQSGSMHMGGGGGAGKVNVQDLSFTKYIDKSTPNLMMACSSGKHYPQAKLTIRKAGGE-NQVEYLIITLKEVLVSSVSTGGSGGEDRLTENVTLNFAQVQVDYQPQKADGAKDGGPVKYGWNIRQNVQA
3HE1 Chain:A ((24-185))
-ATPAYMSITGTKQGLITAGAFTEDSVGNTYQEGHEDQVMVQGFNHEVIIPR-------------VHKPVVITKVFDKASPLLLAALTSGERLTKVEIQWYRTSAAGTQEHYYTTVLEDAIIVDIKDYMH---FTHLEDVHFTYRKITWTHEVSGTSGSDDWRS-------------
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) -47813 for 867 contacts (-55.1/contact) +
2D Compatibility (PS) -13364 + (NN) -2544 + (LL) -172
1D Compatibility (HY) -6000 + (ID) 1000
Total energy: -70893.0 ( -81.77 by residue)
QMean score : 0.387
(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
: