Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGKPLVCVGILKGSAMFMSDLIKRIDT--------HLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
4RAO Chain:A ((30-204))
---DLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSRSIPMTVDFIRLK------------------LSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHV----------
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) -116691 for 1131 contacts (-103.2/contact) +
2D Compatibility (PS) -15992 + (NN) -3115 + (LL) 1192
1D Compatibility (HY) -18000 + (ID) 2450
Total energy: -155056.0 ( -137.10 by residue)
QMean score : 0.582
(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
: