Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MKRNYHVKFLNEKDVELAEAVCAASEDYYLIEQDKSASKSDALKIITEIPDGKTRFDKFVLAVLDENEKPIGLVDIVSDYPRKGRWFIG-LLLLTPDARHNGLGKV-LHQTIKEWASDGGADSLALGVLAENEKGRGFFEHLGYTKEETKQASYGGKEQE-VSIFTLAIK
2PSW Chain:A ((2-156))
SKGSRIELGDVTPHN----------IKQLKRLNQVIFPVSYNDKFYKDVLEVGEL------AKLAYFNDIAVGAVCCRVDHSQNQKRLYIMTLGCLAPYRRLGIGTKMLNHVLNICEKDGTFDNIYLHVQISNESAIDFYRKFGFEIIETKKNYYKRIEPADAHVLQKNLK
General information:
TITO was launched using:
RESULT:
Template:
2PSW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -22965 for 1086 contacts (-21.1/contact) +
2D Compatibility (PS) -16271 + (NN) -6283 + (LL) 1944
1D Compatibility (HY) -4800 + (ID) 1300
Total energy: -49675.0 ( -45.74 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_2PSW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PSW-query.scw
PDB file :
Tito_Scwrl_2PSW.pdb
: