Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLNAADAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPRFRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEPNVAYICSRYYRAPELIFGNQHYTTSVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHTDVDLYNSKGIPWSSVFCDHSLKDAKEAYDLLSALLQYLPEDRMKPYEALCHPYFDELHDSATKLPNNKDLPEDLFRFLPSEIEVMSEAQKAKLVRK 3PUP Chain:A ((60-367)) -----------------------KVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKL---DHCNIVRLRYFFYSS-EK-KDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIH--SFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYT-FKFPQIKAHPWTKVF---RPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPA-LFNFTTQEL--------------

General information: TITO was launched using: RESULT: Template: 3PUP.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 : 1482 -188280 -127.04 -615.29 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -127.04 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_3PUP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUP-query.scw PDB file : Tito_Scwrl_3PUP.pdb: