Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTSSGVDQAKLREVIRVLKSVGHVGMAESLEVEWGMRPNTASHAKNAKKGRKSQPHKSRESSKARGNSFPSLSSIAVAPSPLQVTSQRRFVVTCIGDEEDLWSPDEDPADAKCCIAPLFDYGAGLLRDHYVEYAAHPVSLVSVHPYEKQQPPSNLPWRHFELKVFYEAGKTGSEEKKEFELVKGYLIGGRYRVDAPIDAATFSRTVRCYDEQTGQPVCLKIIRNSKTFLDQGLDELRALTCVNDAGDADACCVVRLLDYFYFREHLVLVTELLFDNLYEYVRKLDIVERCAYFTLARLQRIVRQVLTALKLIHSVNLIHCDIKPENIAFKSVADCDVKVLDLGSSCYMTDTLSSYVQSRSYRAPEVILGCKYGPAVDIWSLGATAAELATGTVLFNVESVPTMLASIASVCGPIPAEMLQEGRNTSLYVTKHG-----AFYDYEDEQLVFHFPSE-------PPDA----AVLFGFDDHDYVGFVRLCLTLDAALRPSAAQLLDHPFLTKTYTD 5LXD Chain:A ((77-393)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RYEVLKVIGKGSFGQVVKAYDHKVHQHVALKMVRNEKRFHRQAAEEIRILEHLRKQDKDNTMNVIHMLENFTFRNHICMTFELLSMNLYELIKK----NKFQGFSLPLVRKFAHSILQCLDALHKNRIIHCDLKPENILLKQQGRSGIKVIDFGSSCYEHQRVYTYIQSRFYRAPEVILGARYGMPIDMWSLGCILAELLTGYPLLPGEDEGDQLACMIELLGMPSQKLLDASKRAKNFVSSKGYPRYCTVTTLSDGSVVLNGGRSRRGKLRGPPESREWGNALKGCDDPLFLDFLKQCLEWDPAVRMTPGQALRHPWLRR----

General information: TITO was launched using: RESULT: Template: 5LXD.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 : 1449 -149408 -103.11 -496.37 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -103.11 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_5LXD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LXD-query.scw PDB file : Tito_Scwrl_5LXD.pdb: