Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSAKLIDHTLLKPESTRTQIDQIIDEAKAYHFKSVCVNPTHVKYAAERLADSEVLVCTVIGFPLGASTTATKAFETEDAIQNGADEIDMVINIGALKDGRFDDVQQDIEAVVKAAKGHTVKVIIETVLLDHDEIVKASELTKVAGADFVKTSTGFAGGGATAEDVKLMKDTVGADVEVKASGGVRNLEDFNKMVEAGATRIGASAGVQIMQGLEADSDY
3R12 Chain:A ((42-256))
-DVKSAIEHTNLKPFATPDDIKKLCLEARENRFHGVCVNPCYVKLAREELEGTDVKVVTVVGFPLGANETRTKAHEAIFAVESGADEIDMVINVGMLKAKEWEYVYEDIRSVVESVKGKVVKVIIETCYLDTEEKIAACVISKLAGAHFVKTSTGFGTGGATAEDVHLMKWIVGDEMGVKASGGIRTFEDAVKMIMYGADRIGTSSGVKIVQGGEE----
General information:
TITO was launched using:
RESULT:
Template:
3R12.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105440 for 1960 contacts (-53.8/contact) +
2D Compatibility (PS) -24064 + (NN) -10118 + (LL) 120
1D Compatibility (HY) -20000 + (ID) 5800
Total energy: -165302.0 ( -84.34 by residue)
QMean score : 0.630
(partial model without unconserved sides chains):
PDB file :
Tito_3R12.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R12-query.scw
PDB file :
Tito_Scwrl_3R12.pdb
: