Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSREGIRRRPKARAGLTGGGTATLPRVEDTLTLGSRLGEQLCAGDVVVLSGPLGAGKTVLAKGIAMAMDV-EGPITSPTFVL---------ARMHRPRRPGTPAMVH-VDVYRLLD-----------HNSADLLSELDSLDLDTDLEDAVVVVEWGEGLAERLSQ-RHLDVRLERVSHSDTRIATWSWGRS
3FVQ Chain:A ((17-172))
------------------------------TPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGRTAQERQRIEAMLELTGISELAG----------RYPHELSGGQQQRAALARALAPDPELILLDEPFS
General information:
TITO was launched using:
RESULT:
Template:
3FVQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25265 for 815 contacts (-31.0/contact) +
2D Compatibility (PS) -13339 + (NN) -3966 + (LL) 2252
1D Compatibility (HY) -2800 + (ID) 1050
Total energy: -44168.0 ( -54.19 by residue)
QMean score : 0.182
(partial model without unconserved sides chains):
PDB file :
Tito_3FVQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FVQ-query.scw
PDB file :
Tito_Scwrl_3FVQ.pdb
: