Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSREGIRRRPKARAGLTGGGTATLPRVEDTLTLGSRLGEQLCAGDVVVLSGPLGAGKTVLAKGIAMAMDV-EGPITSPTFVL-----ARMHRPRRPGTPAMVHV-DVYRLLDH-----------NSADLLSELDSLDLDTDLEDAVVVVEWGEGLAERLSQ-RHLDVRLERVSHSDTRIATWSWGRS
4TQU Chain:S ((17-163))
------------------------------TTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIRIDGRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILGLQPLLE----------RKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLS
General information:
TITO was launched using:
RESULT:
Template:
4TQU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -26380 for 807 contacts (-32.7/contact) +
2D Compatibility (PS) -13325 + (NN) -4123 + (LL) 2252
1D Compatibility (HY) -2800 + (ID) 1400
Total energy: -45776.0 ( -56.72 by residue)
QMean score : 0.205
(partial model without unconserved sides chains):
PDB file :
Tito_4TQU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4TQU-query.scw
PDB file :
Tito_Scwrl_4TQU.pdb
: