Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVRDVNFSYNGTDAILKNVSFTIQKNKINTIVGPNGSGKSTLLEILARLLSPNSGDVLLEGKSIFEWKAKEFAQNVAIVHQSNVLPNELMVKELLYFGRLPYKNWRMTRTKEDDLAVERALMQTELTEK------AEKFVDSLSGGERQRVFIATALVQDTPILLLDEPTTFLDMYFQLEILELVKRLNQEENLTIVMILHDLNQALMYSDHLIVMKNGEVVAKGEPEELLTTDLIAETYGVVADVLNDANNGKYIVPQRRKEF
3BK7 Chain:A ((379-549))
-----------------------IRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKV--------EWDL-----TVAYKPQYIKAEYEGTVYELL--------------SKIDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVF-------EGEP-------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3BK7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91974 for 1197 contacts (-76.8/contact) +
2D Compatibility (PS) -18224 + (NN) -9109 + (LL) 6656
1D Compatibility (HY) -12000 + (ID) 3250
Total energy: -127901.0 ( -106.85 by residue)
QMean score : 0.454
(partial model without unconserved sides chains):
PDB file :
Tito_3BK7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BK7-query.scw
PDB file :
Tito_Scwrl_3BK7.pdb
: