Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVYTKITQQDIDYLFQDYDG-IEQIKGIAEGVENTNYLVNTKNQN-KFIFTIFEKRTKRSDLPFFHKAMSEFYHKGIA-CPTPIKVNENDIF-NIKEKPCAIYSFIEGSQIQSLNNDAMVSLAKNISTIHHIGAQSKLSRENDM--LLPSWKYIINKFKDYD--------GENI--------SE-FNYIKNLISSLES-----QFPQ-NLKKSLIHGDLFKDNIFFKNDEVSGFIDFFFTCSDTIVYDLATLINAWFLNYENFNENYFEIFFDHYFGSISWSNEEKESFNFYLKASAIRFFLTRIHDKNFNKDGEVNHKDPMEFFAILRFHEKNNLQDFF 4PDY Chain:A ((25-304)) ------------QAVVSKYDLAIQQR---HA---DGNIEVWTDSKGRRYAAKRSSIA--PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK---DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG-NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYL------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 978 2874 2.94 11.68 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 2.94 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: