Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLNAADAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPRFRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEPNVAYICSRYYRAPELIFGNQHYTTSVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHTDVDLYNSKGIPWSSVFCDHSLKDAKEAYDLLSALLQYLPEDRMKPYEALCHPYFDELHDSATKLPNNKDLPEDLFRFLPSEIEVMSEAQKAKLVRK 5K5N Chain:A ((39-337)) ----------------EVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQ-----NRELQIMRK---LDHCNIVRLRYFFYSS-----DEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHS--FGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYT---FPQIKAHPWTKVFRPR---TPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLP-------------------------------

General information: TITO was launched using: RESULT: Template: 5K5N.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 : 1444 -193822 -134.23 -675.34 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -134.23 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_5K5N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K5N-query.scw PDB file : Tito_Scwrl_5K5N.pdb: