Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATPAY-MSITGTKQGLITAGAFTEDSVGNTYQEGHEDQV-MVQGFNHEVIIPRDPQSGQPTGQRVHKPVVITKVFDKASPLLLAALTSGERLTKVEIQWYRTSAAGTQEHYYTTVLEDAIIVDIKDY-MHNCQDPGNAHFTHLEDVHFTYRKITWTHEVSGTSGSDDWRSPVAG
3HE1 Chain:A ((24-190))
-ATPAYMS-ITGTKQGLITAGAFTEDSVGNTYQEGHEDQVMV------------QGFNHEVIIPRVHKPVVITKVFDKASPLLLAALTSGERLTKVEIQWYRTSAAGTQEHYYTTVLEDAIIVDIKDYMHFT----------HLEDVHFTYRKITWTHEVSGTSGSDDWRS----
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) -46063 for 1048 contacts (-44.0/contact) +
2D Compatibility (PS) -15372 + (NN) -2833 + (LL) 1184
1D Compatibility (HY) -15600 + (ID) 6450
Total energy: -85134.0 ( -81.23 by residue)
QMean score : 0.510
(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
: