Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
1WE2 Chain:A ((6-166))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL------
General information:
TITO was launched using:
RESULT:
Template:
1WE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80938 for 1331 contacts (-60.8/contact) +
2D Compatibility (PS) -16940 + (NN) -1890 + (LL) 756
1D Compatibility (HY) -10000 + (ID) 3700
Total energy: -112712.0 ( -84.68 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_1WE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WE2-query.scw
PDB file :
Tito_Scwrl_1WE2.pdb
: