Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVNLILVGPMGAGKSTIGRLLAKELHLAFKDSDKEIEQRCGANIPWIFDVEGEVGFREREQAMLTELCAADGMVIATGGGAVMRDGNRQVLRAGGRVVYLHASVEHQIAR--TARDRNRPLLQKPNPGQILRDLMALRDPLYREIADVVVETDERPPRLVVQEILERLRKLPPR
2SHK Chain:B ((5-169))
---IFMVGARGCGKTTVGRELARALGYEFVDTDIFMQHTSGMTVADVVAAEGWPGFRRRESEAL-QAVATPNRVVATGGGMVLLEQNRQFMRAHGTVVYLFAPAEELALRLQ---------LTGRPIAEEMEAVLREREALYQDVAHYVVDATQ-PPAAIVCELMQTMR-----
General information:
TITO was launched using:
RESULT:
Template:
2SHK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94767 for 1201 contacts (-78.9/contact) +
2D Compatibility (PS) -16998 + (NN) -5090 + (LL) 908
1D Compatibility (HY) -10800 + (ID) 2800
Total energy: -129547.0 ( -107.87 by residue)
QMean score : 0.501
(partial model without unconserved sides chains):
PDB file :
Tito_2SHK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2SHK-query.scw
PDB file :
Tito_Scwrl_2SHK.pdb
: