Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDT--------YLEMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
4RAO Chain:A ((29-213))
---EDLERVFIPHGLIMDRTERLARDVMKEMGGHHIVALCVLKGGYKFFADLLDYIKALNRNSRSIPMTVDFIRLK------------------LSTLTGKNVLIVEDIIDTGKTMQTLLSLVRQYNPKMVKVASLLVKRTPRSVGYKPDFVGFEIPDKFVVGYALDYNEYFRDLNHVCVISETGKA-
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) -139812 for 1228 contacts (-113.9/contact) +
2D Compatibility (PS) -17190 + (NN) -6518 + (LL) 1184
1D Compatibility (HY) -18000 + (ID) 2950
Total energy: -183286.0 ( -149.26 by residue)
QMean score : 0.504
(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
: