Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATLKIQDLHVEIEGKEILKGVNLEISTGEIHAIMGPNGTGKSTLSSAIMGHPKYEVTQGTITLDGEDVLEMEVD-ERARAGLFLAMQYPSEISGVTNAEFIRAAI----NSRREEGDEIPVMQFIRKLDAKMDILDMDEEMAERYLNEGFSGGEKKRNEILQLLMIEPKLAILDEIDSGLDIDALKVVSKGVNEMRGEGFGCLIITHYQRLLNYITPDFVHVMMQGKVVKEGGPELAKRLEAEGYDWIKQELGIELEEEEAVDQQ
4YMS Chain:J ((4-221))
-----VNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCI--NLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAV-----DLLAKVGLLDKKDQYPIK-----LSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVG-DRVIFMDDGVIVEEGTPE------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4YMS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109243 for 1692 contacts (-64.6/contact) +
2D Compatibility (PS) -22733 + (NN) -6687 + (LL) 4332
1D Compatibility (HY) -13200 + (ID) 3350
Total energy: -150881.0 ( -89.17 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_4YMS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMS-query.scw
PDB file :
Tito_Scwrl_4YMS.pdb
: