Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQ-KPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
1KAG Chain:A ((6-170))
--NIFLVGPMGAGKSTIGRQLAQQLNMEFYDSDQEIEKRTGADVGWVFDLEGEEGFRDREEKVINELTEKQGIVLATGGGSVKSRETRNRLSARGVVVYLETTIEKQLART------PLLHVETPPREVLEALANERNPLYEEIADVTI-----SAKVVANQIIHML------
General information:
TITO was launched using:
RESULT:
Template:
1KAG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87749 for 1226 contacts (-71.6/contact) +
2D Compatibility (PS) -16351 + (NN) -1344 + (LL) 1132
1D Compatibility (HY) -14400 + (ID) 4000
Total energy: -122712.0 ( -100.09 by residue)
QMean score : 0.565
(partial model without unconserved sides chains):
PDB file :
Tito_1KAG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KAG-query.scw
PDB file :
Tito_Scwrl_1KAG.pdb
: