Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2IYU Chain:A ((6-168))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQV----
General information:
TITO was launched using:
RESULT:
Template:
2IYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76290 for 1234 contacts (-61.8/contact) +
2D Compatibility (PS) -17822 + (NN) -5447 + (LL) 592
1D Compatibility (HY) -10000 + (ID) 3700
Total energy: -112667.0 ( -91.30 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_2IYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IYU-query.scw
PDB file :
Tito_Scwrl_2IYU.pdb
: