Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVRDVNFSYNGTDAILKNVSFTIQKNKINTIVGPNGSGKSTLLEILARLLSPNSGDVLLEGKSIFEWKAKEFAQNVAIVHQSNVLPNELMVKELLYFGRLPYKNWRMTRTKE-DDLAVERALMQTELTEKAEKFVDSLSGGERQRVFIATALVQDTP-------ILLLDEPTTFLDMYFQLEILELVKRLNQEENLTIVMILHDLNQALMYSDHLIVMKNGEVVAKGEPEELLTTDLIAETYGVVADVLNDANNGKYIVPQRRKEF
4R9U Chain:C ((5-232))
MQLQDVAESTR-----LGPLSGEVRAGEILHLVGPNGAGKSTLLARMAGMTS-GKGSIQFAGQPLEAWSATKLALHRAYLSQQQTPPFATPVWHYLTL-----HQHDKTRTELLNDVAGALAL-----DDKLGRSTNQLSGGEWQRVRLAAVVLQITPQANPAGQLLLLDQPMCSLDVAQQSALDKILSALSQQ-GLAIVMSSHDLNHTLRHAHRAWLLKGGKMLASGRREEVLTPPNLAQAYGM----------------------
General information:
TITO was launched using:
RESULT:
Template:
4R9U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146256 for 1714 contacts (-85.3/contact) +
2D Compatibility (PS) -24116 + (NN) -8616 + (LL) 2148
1D Compatibility (HY) -10800 + (ID) 4000
Total energy: -191640.0 ( -111.81 by residue)
QMean score : 0.437
(partial model without unconserved sides chains):
PDB file :
Tito_4R9U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4R9U-query.scw
PDB file :
Tito_Scwrl_4R9U.pdb
: