Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKRLLIAACTLLFAGSLLAATPAAKPHVLIATSLGEIEVELDPAKAPISVKNFLEYVDSGYYDGTLFHRVIPGFMVQTGGFSAGMQEKKTRAPIKNEADNGLLNERGTLAMARTGVVDSATSQFFINLTDNDFLNHGARD---FGYAVFGKVVRGMGVVDQIAKVPTTRRNGFADVPSDDVVILSAKRL
2RS4 Chain:A ((2-159))
----------------------------VTFHTNHGDIVIKTFDDKAPETVKNFLDYCREGFYNNTIFHRVINGFMIQGGGFEPGMKQKATKEPIKNEANNGLKNTRGTLAMARTQAPHSATAQFFINVVDNDFLNFSGESLQGWGYCVFAEVVDGMDVVDKIKGVATGRSGMHQDVPKEDVIIES----
General information:
TITO was launched using:
RESULT:
Template:
2RS4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84838 for 1188 contacts (-71.4/contact) +
2D Compatibility (PS) -16156 + (NN) -1774 + (LL) 3220
1D Compatibility (HY) -14400 + (ID) 4350
Total energy: -118298.0 ( -99.58 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_2RS4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RS4-query.scw
PDB file :
Tito_Scwrl_2RS4.pdb
: