Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLNAADAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPRFRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEPNVAYICSRYYRAPELIFGNQHYTTSVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHTDVDLYNSKGIPWSSVFCDHSLKDAKEAYDLLSALLQYLPEDRMKPYEALCHPYFDELHDSATKLPNNKDLPEDLFRFLPSEIEVMSEAQKAKLVRK 4NM5 Chain:A ((39-353)) --------------PQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRK---LDHCNIVRLRYFFYSSGEK-KDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHS--FGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRP---RTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPA-LFNFTTQ----------------

General information: TITO was launched using: RESULT: Template: 4NM5.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 : 1539 -194981 -126.69 -618.99 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -126.69 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_4NM5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NM5-query.scw PDB file : Tito_Scwrl_4NM5.pdb: