Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2IYW Chain:A ((6-171))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSP-
General information:
TITO was launched using:
RESULT:
Template:
2IYW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68973 for 1235 contacts (-55.8/contact) +
2D Compatibility (PS) -18120 + (NN) -6876 + (LL) 696
1D Compatibility (HY) -9600 + (ID) 3750
Total energy: -106623.0 ( -86.33 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_2IYW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYW-query.scw
PDB file :
Tito_Scwrl_2IYW.pdb
: