Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLNAADAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPRFRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEPNVAYICSRYYRAPELIFGNQHYTTSVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHTDVDLYNSKGIPWSSVFCDHSLKDAKEAYDLLSALLQYLPEDRMKPYEALCHPYFDELHDSATKLPNNKDLPEDLFRFLPSEIEVMSEAQKAKLVRK 3SD0 Chain:A ((19-316)) ----------------EVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRK---LDHCNIVRLRYFFYSSGEK-KDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHS--FGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRP---RTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKL--------------------------------

General information: TITO was launched using: RESULT: Template: 3SD0.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 : 1439 -183956 -127.84 -617.30 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -127.84 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_3SD0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SD0-query.scw PDB file : Tito_Scwrl_3SD0.pdb: