Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKRLLIAACTLLFAGSLLAATPAAKPHVLIATSLGEIEVELDPAKAPISVKNFLEYVDSGYYDGTLFHRVIPGFMVQ----TGGFSAGMQEKKTRAPIKNEADNGL-LNERGTLAMARTGVVDSATSQFFINLTDNDFLNHGARDFGYAVFGKVVRGMGVVDQIAKVPTTRRNGFADVPSDDVVILSAKRL
4R3E Chain:A ((8-136))
-------------------IQEPPTNGKVLLKTTAGDIDIELWSKEAPKACRNFIQLCLEAYYDNTIFHRVVPGFIVQGGDPTGTGSGG--ESIYGAPFKDEFHSRLRFNRRGLVAMANAGSHDNG-SQFFFTLGRADELNN-----KHTIFGKVT------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4R3E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30669 for 868 contacts (-35.3/contact) +
2D Compatibility (PS) -12845 + (NN) 254 + (LL) 4988
1D Compatibility (HY) -10000 + (ID) 2750
Total energy: -51022.0 ( -58.78 by residue)
QMean score : 0.487
(partial model without unconserved sides chains):
PDB file :
Tito_4R3E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4R3E-query.scw
PDB file :
Tito_Scwrl_4R3E.pdb
: