Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCA-ADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2IYV Chain:A ((2-171))
APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSL-GGGAVTSPGVRAALA-GHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSP-
General information:
TITO was launched using:
RESULT:
Template:
2IYV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -87275 for 1324 contacts (-65.9/contact) +
2D Compatibility (PS) -18247 + (NN) -5306 + (LL) 296
1D Compatibility (HY) -8400 + (ID) 3750
Total energy: -122682.0 ( -92.66 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_2IYV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYV-query.scw
PDB file :
Tito_Scwrl_2IYV.pdb
: