Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIARTARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2G1K Chain:A ((6-169))
----VLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGAVTSPGVRAAL-AGHTVVYLEISAAEGVRRTGGNTVRPLLAGPDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVP---
General information:
TITO was launched using:
RESULT:
Template:
2G1K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79970 for 1268 contacts (-63.1/contact) +
2D Compatibility (PS) -18244 + (NN) -9674 + (LL) 416
1D Compatibility (HY) -9600 + (ID) 3700
Total energy: -120772.0 ( -95.25 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_2G1K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2G1K-query.scw
PDB file :
Tito_Scwrl_2G1K.pdb
: