Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2IYR Chain:A ((6-170))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNT-----AGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPS--
General information:
TITO was launched using:
RESULT:
Template:
2IYR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77726 for 1233 contacts (-63.0/contact) +
2D Compatibility (PS) -17094 + (NN) -3031 + (LL) 788
1D Compatibility (HY) -8800 + (ID) 3500
Total energy: -109363.0 ( -88.70 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_2IYR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYR-query.scw
PDB file :
Tito_Scwrl_2IYR.pdb
: