Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDT---------HLSIDFMDVSSYHGGTESTGEVQIIK-DLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
4RAO Chain:D ((30-204))
---DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSDRSIPMTVDFIRLKSY--------DIKVIGGDDLSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHV----------
General information:
TITO was launched using:
RESULT:
Template:
4RAO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117642 for 1208 contacts (-97.4/contact) +
2D Compatibility (PS) -17076 + (NN) -2886 + (LL) 140
1D Compatibility (HY) -19200 + (ID) 2650
Total energy: -159314.0 ( -131.88 by residue)
QMean score : 0.527
(partial model without unconserved sides chains):
PDB file :
Tito_4RAO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4RAO-query.scw
PDB file :
Tito_Scwrl_4RAO.pdb
: