Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
------MRDQKLKFLVVDALFAVIIALLAQV-AIPLGPIPLTGQTFAIGLAATILGARHGTISVLVYIVLGAVGIPVFQGMTAGIGIIFGPTGGFIIGFIFNAFLTGWLLEKTKFTVPYAIVANILGAIVTLIFGVLWLKVSTGLDWPTAFLTGMVPFIIPGIIKAVFAALLGIIIRDRLIKAKLLRAS
2JHB Chain:A ((1-143))
GSMPRVVPDQRSKFENEEFFRKLSRECEIKYTGFRDRPHEERQTRFQNACRD-------GRSEIAF----------VATGTNLSLQFFPASWQGEQRQTPSREYV-DLEREAGKVYLKAPMILN----------GV-CVIWKGWIDLHR--LDGMGCLEFD---------------EERAQQEDALAQQ
General information:
TITO was launched using:
RESULT:
Template:
2JHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135582 for 1023 contacts (-132.5/contact) +
2D Compatibility (PS) -14734 + (NN) -1941 + (LL) 4932
1D Compatibility (HY) -800 + (ID) 1050
Total energy: -149175.0 ( -145.82 by residue)
QMean score : 0.094
(partial model without unconserved sides chains):
PDB file :
Tito_2JHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JHB-query.scw
PDB file :
Tito_Scwrl_2JHB.pdb
: