Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLNAADAADERSRKEMDRFQVERMAGQGTFGTVQLGKEKSTGMSVAIKKVIQDPRFRNRELQIMQDLAVLHHPNIVQLQSYFYTLGERDRRDIYLNVVMEYVPDTLHRCCRNYYRRQVAPPPILIKVFLFQLIRSIGCLHLPSVNVCHRDIKPHNVLVNEADGTLKLCDFGSAKKLSPSEPNVAYICSRYYRAPELIFGNQHYTTSVDIWSVGCIFAEMMLGEPIFRGDNSAGQLHEIVRVLGCPSREVLRKLNPSHTDVDLYNSKGIPWSSVFCDHSLKDAKEAYDLLSALLQYLPEDRMKPYEALCHPYFDELHDSATKLPNNKDLPEDLFRFLPSEIEVMSEAQKAKLVRK 3L1S Chain:A ((54-361)) -----------------------KVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKL---DHCNIVRLRYFFYS--------VYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIH--SFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNP--------------WTKVF---RPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPA-LFNFTTQEL--------------

General information: TITO was launched using: RESULT: Template: 3L1S.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 : 1438 -183935 -127.91 -640.89 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -127.91 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_3L1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3L1S-query.scw PDB file : Tito_Scwrl_3L1S.pdb: