Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLNAADAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPRFRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEPNVAYICSRYYRAPELIFGNQHYTTSVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHTDVDLYNSKGIPWSSVFCDHSLKDAKEAYDLLSALLQYLPEDRMKPYEALCHPYFDELHDSATKLPNNKDLPEDLFRFLPSEIEVMSEAQKAKLVRK 1Q5K Chain:A ((54-361)) -----------------------KVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKL---DHCNIVRLRYFFYSS--K-KDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIH--SFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNP---EFKFPQIKAHPWTKVF---RPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPA-LFNFTTQEL--------------

General information: TITO was launched using: RESULT: Template: 1Q5K.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 : 1506 -192981 -128.14 -636.90 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -128.14 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_1Q5K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Q5K-query.scw PDB file : Tito_Scwrl_1Q5K.pdb: