Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2IYX Chain:A ((6-170))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPS--
General information:
TITO was launched using:
RESULT:
Template:
2IYX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80488 for 1283 contacts (-62.7/contact) +
2D Compatibility (PS) -18092 + (NN) -7148 + (LL) 556
1D Compatibility (HY) -9600 + (ID) 3700
Total energy: -118472.0 ( -92.34 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_2IYX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYX-query.scw
PDB file :
Tito_Scwrl_2IYX.pdb
: