Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLKSFITVTLALGMIATTGATVTSNEVSAAEKDKLPATQKAKEMQNVPYTIAVDG-I-MAFNQSYLNLPKDSQLSYLDLGNKVKALLYDERGVTPEKIRNAKSAVYTITWKDGSKKEVDLKKD---SYTANLFDSNSIKQIDINVKTK
2RDG Chain:A ((99-196))
---------------------------------------------QNVNLLVSKSTGQHTTSVTSTNYSIYKEEISLKELDFKLRKHLIDKHDLYKTE---PKDSKIRVTMKNGDFYTFELNKKLQTHRMGDVIDGRNIEKIEVNL---
General information:
TITO was launched using:
RESULT:
Template:
2RDG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -17098 for 604 contacts (-28.3/contact) +
2D Compatibility (PS) -10171 + (NN) -2539 + (LL) 4312
1D Compatibility (HY) -4000 + (ID) 950
Total energy: -30446.0 ( -50.41 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_2RDG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RDG-query.scw
PDB file :
Tito_Scwrl_2RDG.pdb
: