Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLKKDKRREAIRQQIDSNPFITDHELSDLFQVSIQTIRLDRTYLNIPELRKRIKLVAEKNYDQISSIEEQEFIGDLIQVNPNVKAQSILDITSDSVFHKTGIARGHVLFAQANSLCVALIKQPTVLTHESSIQFIEKVKLNDTVRAEARVVNQTAKHYYVEVKSYVKHTLVFKGNFKMFYDKRG
4A0Z Chain:B ((52-189))
----------------------------------------------IPELRKRIKLVAEKNYDQISSIEEQEFIGDLIQVNPNVKAQSILDITSDSVFHKTGIARGHVLFAQANSLCVALIKQPTVLTHESSIQFIEKVKLNDTVRAEARVVNQTAKHYYVEVKSYVKHTLVFKGNFKMFYDKR-
General information:
TITO was launched using:
RESULT:
Template:
4A0Z.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78107 for 1042 contacts (-75.0/contact) +
2D Compatibility (PS) -14309 + (NN) -919 + (LL) 3508
1D Compatibility (HY) -20400 + (ID) 6900
Total energy: -117127.0 ( -112.41 by residue)
QMean score : 0.432
(partial model without unconserved sides chains):
PDB file :
Tito_4A0Z.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4A0Z-query.scw
PDB file :
Tito_Scwrl_4A0Z.pdb
: