Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSREGIRRRPKARAGLTGGGTATLPRVEDTLTLGSRLGEQLCAGDVVVLSGPLGAGKTVLAKGIAMAMDV-EGPITSPTFVLA-----RMHRPRRPGTPAMVHV-DVYRLLDH-----------NSADLLSELDSLDLDTDLEDAVVVVEWGEGLAERLSQ-RHLDVRLERVSHSDTRIATWSWGRS
2IT1 Chain:A ((16-162))
------------------------------FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLN----------RYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLS
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -23974 for 822 contacts (-29.2/contact) +
2D Compatibility (PS) -13523 + (NN) -5442 + (LL) 2252
1D Compatibility (HY) -3600 + (ID) 1200
Total energy: -45487.0 ( -55.34 by residue)
QMean score : 0.296
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: