Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MATLKIQDLHVEIEGKEILKGVNLEISTGEIHAIMGPNGTGKSTLSSAIMGHPKYEVTQGTITLDGEDVLEMEVD-ERARAGLFLAMQYPSEISGVTNAEFIRAAI----NSRREEGDEIPVMQFIRKLDAKMDILDMDEEMAERYLNEGFSGGEKKRNEILQLLMIEPKLAILDEIDSGLDIDALKVVSKGVNEMRGEGFGCLIITHYQRLLNYITPDFVHVMMQGKVVKEGGPELAKRLEAEGYDWIKQELGIELEEEEAVDQQ 4YMU Chain:J ((4-221)) -----VNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCI--NLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAV-----DLLAKVGLLDKKDQYPIK-----LSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVG-DRVIFMDDGVIVEEGTPE------------------------------

General information: TITO was launched using: RESULT: Template: 4YMU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -116658 for 1703 contacts (-68.5/contact) + 2D Compatibility (PS) -22710 + (NN) -6576 + (LL) 4332 1D Compatibility (HY) -13200 + (ID) 3350 Total energy: -158162.0 ( -92.87 by residue) QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_4YMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMU-query.scw PDB file : Tito_Scwrl_4YMU.pdb: