Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTSSGVDQAKLREVIRVLKSVGHVGMAESLEVEWGMRPNTASHAKNAKKGRKSQPHKSRESSKARGNSFPSLSSIAVAPSPLQVTSQRRFVVTCIGDEEDLWSPDEDPADAKCCIAPLFDYGAGLLRDHYVEYAAHPVSLVSVHPYEKQQPPSNLPWRHFELKVFYEAGKTGSEEKKEFELVKGYLIGGRYRVDAPIDAATFSRTVRCYDEQTGQPVCLKIIRNSKTFLDQGLDELRALTCVNDAGDADACCVVRLLDYFYFREHLVLVTELLFDNLYEYVRKLDIVERCAYFTLARLQRIVRQVLTALKLIHSVNLIHCDIKPENIAFKSVADCDVKVLDLGSSCYMTDTLSSYVQSRSYRAPEVILGCKYGPAVDIWSLGATAAELATGTVLFNVESVPTMLASIASVCGPIPAEMLQEGRNTSLYVTKHG-----AFYDYEDEQLVFHFPSE-------PPDA----AVLFGFDDHDYVGFVRLCLTLDAALRPSAAQLLDHPFLTKTYTD 3KVW Chain:A ((98-413)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RYEVLKVIGKGSFGQVVKAYDHKVHQHVALKMVRNEKRFHRQAAEEIRILEHLRKQDKDNTMNVIHMLENFTFRNHICMTFELLSMNLYELIKK----NKFQGFSLPLVRKFAHSILQCLDALHKNRIIHCDLKPENILLKQQGRSGIKVIDFGSSCYEHQRVYTYIQSRFYRAPEVILGARYGMPIDMWSLGCILAELLTGYPLLPGEDEGDQLACMIELLGMPSQKLLDASKRAKNFVSSKGYPRYCTVTTLSD--VVLNGGRSRRGKLRGPPESREWGNALKGCDDPLFLDFLKQCLEWDPAVRMTPGQALRHPWLR-----

General information: TITO was launched using: RESULT: Template: 3KVW.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 : 1436 -154330 -107.47 -517.89 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -107.47 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_3KVW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KVW-query.scw PDB file : Tito_Scwrl_3KVW.pdb: