Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
1YSG Chain:A ((5-174))
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESE----------------------------------------AVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERL-----------------------
General information:
TITO was launched using:
RESULT:
Template:
1YSG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104856 for 1168 contacts (-89.8/contact) +
2D Compatibility (PS) -17623 + (NN) -5134 + (LL) 3212
1D Compatibility (HY) -22400 + (ID) 8450
Total energy: -155251.0 ( -132.92 by residue)
QMean score : 0.440
(partial model without unconserved sides chains):
PDB file :
Tito_1YSG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1YSG-query.scw
PDB file :
Tito_Scwrl_1YSG.pdb
: