Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
4BQS Chain:C ((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) -78456 for 1278 contacts (-61.4/contact) +
2D Compatibility (PS) -18520 + (NN) -11636 + (LL) 556
1D Compatibility (HY) -9600 + (ID) 3700
Total energy: -121356.0 ( -94.96 by residue)
QMean score : 0.518
(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
: