Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATPAYMSITGTKQGLITAGAFTEDSVGNTYQEGHEDQVMVQGFNHEVIIPRDPQSGQPTGQRVHKPVVITKVFDKASPLLLAALTSGERLTKVEIQWYRTSAAGTQEHYYTTVLEDAIIVDIKDYMHNCQDPGNAHFTHLEDVHFTYRKITWTHEVSGTSGSDDWRSPVAG
3HE1 Chain:A ((24-190))
-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) -67808 for 1103 contacts (-61.5/contact) +
2D Compatibility (PS) -15798 + (NN) -4303 + (LL) -168
1D Compatibility (HY) -19600 + (ID) 7350
Total energy: -115027.0 ( -104.29 by residue)
QMean score : 0.522
(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
: