Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
4BQS Chain:B ((6-170))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPS--
General information:
TITO was launched using:
RESULT:
Template:
4BQS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77180 for 1294 contacts (-59.6/contact) +
2D Compatibility (PS) -17971 + (NN) -5987 + (LL) 556
1D Compatibility (HY) -9600 + (ID) 3700
Total energy: -113882.0 ( -88.01 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_4BQS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BQS-query.scw
PDB file :
Tito_Scwrl_4BQS.pdb
: