Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAQVQYYGTGRRKSSVARVRLVPGEGRIVVNNREISEHIPSAALIEDIKQPLTLTE--TAGTYDVLVNVHGGGLSGQAGAIRHGIARALLEADPEY---------RTTLK--RAGLLTRDARMKERKKYGLKGARRAPQFSKR
5A2Q Chain:Q ((8-146))
---QSVQVFGRKKTATAVAHCKRGNGLIKVNGRPLEMIEPRT-LQYKLLEPVLLLGKERFAGVDIRVRVKGGGHVAQIYAIRQSISKALVAYYQKYVDEASKKEIKDILIQYDRTLLVADPRRCESKKFGGPGARARYQKSYR
General information:
TITO was launched using:
RESULT:
Template:
5A2Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38650 for 857 contacts (-45.1/contact) +
2D Compatibility (PS) -13388 + (NN) -3344 + (LL) 616
1D Compatibility (HY) -3600 + (ID) 2150
Total energy: -60516.0 ( -70.61 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_5A2Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5A2Q-query.scw
PDB file :
Tito_Scwrl_5A2Q.pdb
: