Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQSNRELVVDFLSYKLSQKGYSWSQFSDVEENRTEAPEGTESEMETPSAINGNPSWHLADSPAVNGATGHSSSLDAREVIPMAAVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGNNAAAESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
3QKD Chain:A ((8-161))
---SNRELVVDFLSYKLSQKGYSWSQFS--------------SE----------------------------------------AVKQALREAGDEFELRYRRAFSDLTSQLHITPGTAYQSFEQVVNELFRDGVNWGRIVAFFSFGGALCVESVDKEMQVLVSRIAAWMATYLNDHLEPWIQENGGWDTFVELYGN------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3QKD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104567 for 1028 contacts (-101.7/contact) +
2D Compatibility (PS) -15092 + (NN) -4673 + (LL) 4980
1D Compatibility (HY) -21200 + (ID) 7000
Total energy: -147552.0 ( -143.53 by residue)
QMean score : 0.415
(partial model without unconserved sides chains):
PDB file :
Tito_3QKD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3QKD-query.scw
PDB file :
Tito_Scwrl_3QKD.pdb
: