Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2IYR Chain:B ((6-170))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTV--LLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPS--
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) -76065 for 1243 contacts (-61.2/contact) +
2D Compatibility (PS) -17434 + (NN) -3517 + (LL) 516
1D Compatibility (HY) -9600 + (ID) 3600
Total energy: -109700.0 ( -88.25 by residue)
QMean score : 0.560
(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
: