Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRLEKVNKWYGAYHALADVDEQVGRGEVVVVCGPSGSGKSTLIRTLNRLEPIQGGRILIDGQDIHAPGLDLNRFRSHIGFVFQQFNLFPHLNVLDNCTLASLRLRGLKPAEARRQAMA---LLE-RVGLADKAAAFPARLSGGQQQRVAIARALAMEPPLMLFDEPTSALDPEMVGEVLLVMRDLARDGMTMVVVTHEMGFAHDVADRVLFMDAGRVLERASPDDFFNRPQHPRARKFLADIRTPFAQPL
3B5J Chain:A ((21-231))
----------------LDNINLSIKQGEVIGIVGRAGSGKSTLTKLIQRFYIPENGQVLIDGHDLALA--DPNWLRRQVGVVLQD-NVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK-GRTVIIIAHRLSTVKN-ADRIIVMEKGKIVEQGKHKELLSEPE-------------------
General information:
TITO was launched using:
RESULT:
Template:
3B5J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112686 for 1547 contacts (-72.8/contact) +
2D Compatibility (PS) -21282 + (NN) -3132 + (LL) 3120
1D Compatibility (HY) -14400 + (ID) 3600
Total energy: -151980.0 ( -98.24 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_3B5J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B5J-query.scw
PDB file :
Tito_Scwrl_3B5J.pdb
: