Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2IYQ Chain:A ((6-167))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQ-----
General information:
TITO was launched using:
RESULT:
Template:
2IYQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80432 for 1295 contacts (-62.1/contact) +
2D Compatibility (PS) -17888 + (NN) -8020 + (LL) 656
1D Compatibility (HY) -10000 + (ID) 3700
Total energy: -119384.0 ( -92.19 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_2IYQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYQ-query.scw
PDB file :
Tito_Scwrl_2IYQ.pdb
: