Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTMDDIVREGHPALREVATEVTFPLSDEEKKLGRDMLEFLINSQDEDLAEKYGLRGGVGIAAPQLAVTKRFLAIHVHDEKDRLYSYVLYNPKIRSHSVQQACLSGGEGCLSVDREVPGYVVRSERVTIDAFDENGTPLKLRFKGYPAIVIQHEIDHLNGIMFYDHINKENPSYLPPDVDVFG
1LRU Chain:B ((32-147))
----------------------------------------------DDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDE--RLVLINPELLEKSGETGI---EEGCLSIP-EQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLS---------------
General information:
TITO was launched using:
RESULT:
Template:
1LRU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -57980 for 853 contacts (-68.0/contact) +
2D Compatibility (PS) -12530 + (NN) -3952 + (LL) 3892
1D Compatibility (HY) -12000 + (ID) 2250
Total energy: -84820.0 ( -99.44 by residue)
QMean score : 0.252
(partial model without unconserved sides chains):
PDB file :
Tito_1LRU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1LRU-query.scw
PDB file :
Tito_Scwrl_1LRU.pdb
: