Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDT---------HLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
4RAQ Chain:D ((30-204))
---DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLK-------------VIG-DLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHV----------
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) -122917 for 1180 contacts (-104.2/contact) +
2D Compatibility (PS) -16183 + (NN) -1369 + (LL) 544
1D Compatibility (HY) -18400 + (ID) 2500
Total energy: -160825.0 ( -136.29 by residue)
QMean score : 0.488
(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
: