Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKMNAPDGVAVWVNEDRCKGCDI-----CVSVCPAGVLGMGIEKERVLGKVAKVAYPESCIGCVQCELHCPDFAIYVADRKDF----KFAKVSKEAQERSEKVKANKYMLLEETILEGRGK------------------------------------------
1JNR Chain:B ((2-150))
----------PSFVNPEKCDGCKALERTACEYICPNDLMTLDKEKMKAYNR-----EPDMCWECYSCVKMCPQGAIDVRGYVDYSPLGGACVPMRGTSDIMWTVKYRNGKVLRFKFAIRTTPWGSIQPFEGFPEPTEEALKSELLAGEPEIIGTSEFPQVKKKA
General information:
TITO was launched using:
RESULT:
Template:
1JNR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33806 for 600 contacts (-56.3/contact) +
2D Compatibility (PS) -9959 + (NN) 1054 + (LL) 1228
1D Compatibility (HY) -4000 + (ID) 1150
Total energy: -46633.0 ( -77.72 by residue)
QMean score : 0.233
(partial model without unconserved sides chains):
PDB file :
Tito_1JNR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JNR-query.scw
PDB file :
Tito_Scwrl_1JNR.pdb
: