Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDT---------HLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
4RAQ Chain:B ((30-204))
---DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLK-----------IKVI---LSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHV----------
General information:
TITO was launched using:
RESULT:
Template:
4RAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125132 for 1170 contacts (-107.0/contact) +
2D Compatibility (PS) -16146 + (NN) -1922 + (LL) 472
1D Compatibility (HY) -19200 + (ID) 2500
Total energy: -164428.0 ( -140.54 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_4RAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RAQ-query.scw
PDB file :
Tito_Scwrl_4RAQ.pdb
: