Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQK-PNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
1KAG Chain:A ((4-171))
KRNIFLVGPMGAGKSTIGRQLAQQLNMEFYDSDQEIEKRTGADVGWVFDLEGEEGFRDREEKVINELTEKQGIVLATGGGSVKSRETRNRLSARGVVVYLETTIEKQLART------PLLHVETPPREVLEALANERNPLYEEIADVTI-----SAKVVANQIIHMLE-----
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) -88215 for 1247 contacts (-70.7/contact) +
2D Compatibility (PS) -16660 + (NN) -1536 + (LL) 632
1D Compatibility (HY) -13600 + (ID) 4000
Total energy: -123379.0 ( -98.94 by residue)
QMean score : 0.572
(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
: