Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATLKIQDLHVEIEGKEILKGVNLEISTGEIHAIMGPNGTGKSTLSSAIMGHPKYEVTQGTITLDGEDVLEMEVDERARAGLFLAMQYPSEISGVTNAEFIRAAINS-RREEGDE-IPVMQFIRKLDAKMDILDMDEEMAERYLNEGFSGGEKKRNEILQLLMIEPKLAILDEIDSGLDIDALKVVSKGVNEMRGEGFGCLIITHYQRLLNYITPDFVHVMMQGKVVKEGGPELAKRLEAEGYDWIKQELGIELEEEEAVDQQ
2D3W Chain:A ((2-244))
---LSIKDLHVSVEDKAILRGLSLDVHPGEVHAIMGPNGSGKSTLSATLAGREDYEVTGGTVEFKGKDLLALSPEDRAGEGIFMAFQYPVEIPGVSNQFFLQTALNAVRSYRGQETLDRFDFQDLMEEKIALLKMPEDLLTRSVNVGFSGGEKKRNDILQMAVLEPELCILDESDSGLDIDALKVVADGVNSLRDGKRSFIIVTHYQRILDYIKPDYVHVLYQGRIVKSGDFTLVKQLEEQGYGWL-----------------
General information:
TITO was launched using:
RESULT:
Template:
2D3W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120510 for 1866 contacts (-64.6/contact) +
2D Compatibility (PS) -26039 + (NN) -8973 + (LL) 2096
1D Compatibility (HY) -28400 + (ID) 6300
Total energy: -188126.0 ( -100.82 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_2D3W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2D3W-query.scw
PDB file :
Tito_Scwrl_2D3W.pdb
: