Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLTMDDIVREGHPALREVATEVTFPLSDEEKKLGRDMLEFLINSQDEDLAEKYGLRGGVGIAAPQLAVTKRFLAIHVHDEKDRLYSYVLYNPKIRSHSVQQACLSGGEGCLSVDREVPGYVVRSERVTIDAFDENGTPLKLRFKGYPAIVIQHEIDHLNGIMFYDHINKENPSYLPPDVDVFG
2W3T Chain:A ((1-158))
--SVLQVLHIPDERLRKVAKPVE-EVNAEIQRIVDDMFETM--YA----------EEGIGLAATQVDIHQRIIVIDVSENR--DERLVLINPELLEKSGE---TGIEEGCLSIPEQRA-LVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKV----
General information:
TITO was launched using:
RESULT:
Template:
2W3T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54987 for 1237 contacts (-44.5/contact) +
2D Compatibility (PS) -16942 + (NN) -4278 + (LL) 1424
1D Compatibility (HY) -14400 + (ID) 2550
Total energy: -91733.0 ( -74.16 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_2W3T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3T-query.scw
PDB file :
Tito_Scwrl_2W3T.pdb
: