Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQLSNVRKSYQIGKETFDVLHSIDLDIHQGEYVSIMGPSGSGKSTIMNIIGCLDRPTSGTYQLDGEDISSYKDKELAAVRNRSIGFVFQQFQLLPRLNAKKNVEL-PMIYSGIGKKERQERAERALEKVGLADRMLHMPNELSGGQKQRVAIARAIVNEPKLILADEPTGALDTKTSEAIMDQFTALNAEGTTIVLVTHEPEVA-DCTNRIVMVRDGNIVPASSGQRSVGE 4YMW Chain:J ((1-215)) MIFVNDVYKNFG----SLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGK-VNINKVRQK-VGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIV-----------

General information: TITO was launched using: RESULT: Template: 4YMW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1096 -131250 -119.75 -616.19 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain J : 0.83 3D Compatibility (PKB) : -119.75 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_4YMW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMW-query.scw PDB file : Tito_Scwrl_4YMW.pdb: