Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2DFT Chain:B ((6-166))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRL------
General information:
TITO was launched using:
RESULT:
Template:
2DFT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75398 for 1280 contacts (-58.9/contact) +
2D Compatibility (PS) -17731 + (NN) -7313 + (LL) 756
1D Compatibility (HY) -10000 + (ID) 3700
Total energy: -113386.0 ( -88.58 by residue)
QMean score : 0.472
(partial model without unconserved sides chains):
PDB file :
Tito_2DFT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DFT-query.scw
PDB file :
Tito_Scwrl_2DFT.pdb
: