Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVGEGPDTKPTARGQPAAVGRVVVLSGPSAVGKSTVVRCLRERIPNLHFSVSATTRAPRPGEVDGVDYHFIDPTRFQQLIDQGELLEWAEIHGGLHRSGTLAQPVRAAAATGVPVLIEVDLAGARAIKKTMPEAVTVFLAPPSWQDLQARLIGRGTETADVIQRRLDTARIELAAQGDFDKVVVNRRLESACAELVSLLVGTAPGSP
1S4Q Chain:A ((22-204))
-------------------VGRVVVLSGPSAVGKSTVVRCLRERIPNLHFSVSATTRAPRPGEVDGVDYHFIDPTRFQQLIDQGELLEWAEIHGGLHRSGTLAQPVRAAAATGVPVLIEVDLAGARAIKKTMPEAVTVFLAPPSWQDLQARLIGRGTETADVIQRRLDTARIELAAQGDFDKVVVNRRLESACAELVSLLVG------
General information:
TITO was launched using:
RESULT:
Template:
1S4Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103364 for 1334 contacts (-77.5/contact) +
2D Compatibility (PS) -20434 + (NN) -9829 + (LL) 0
1D Compatibility (HY) -24400 + (ID) 9150
Total energy: -167177.0 ( -125.32 by residue)
QMean score : 0.642
(partial model without unconserved sides chains):
PDB file :
Tito_1S4Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S4Q-query.scw
PDB file :
Tito_Scwrl_1S4Q.pdb
: