Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAGSDRRPRDPAGRRQAIVEAAERVIARQGLGGLSHRRVAAEANVPVGSTTYYFNDLDALREAALAHAANASADLLAQWRSDLDKDRDLAATLARLTTVYLA-DQDRYRTLNELYMAAAHRPELQRLARLWPDGLLALLEPRIGRRAANAVTVFFDGATLHALITGTPLSTDELTDAIARLVADGPEQREVGQSAHAGRTPD
3HTA Chain:A ((20-203))
-----HMPRRHDPERRQRIIDAAIRVVGQKGIAGLSHRTVAAEADVPLGSTTYHFATLDDLMVAALRQANEGFARVVAAHPALSDPEADLSGELARVLGEWLGGDRTGVELEYELYLAALRRPALRPVAAEWAEGVGALLAARTDPTTARALVAVLDGICLQVLLTDTPYDEEYAREVLTRLIPVPATR--------------
General information:
TITO was launched using:
RESULT:
Template:
3HTA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91460 for 1342 contacts (-68.2/contact) +
2D Compatibility (PS) -20309 + (NN) -15247 + (LL) 616
1D Compatibility (HY) -12400 + (ID) 3550
Total energy: -142350.0 ( -106.07 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_3HTA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HTA-query.scw
PDB file :
Tito_Scwrl_3HTA.pdb
: