Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQYQMITREQCLYWDQEDELKKFKDEFALPEGVIYLDGNSLGARPKK-SLAVAQHIISQEWGEDLINSWNKADWWGLPTRLGDKVAKLVGAEQGEVVISDSTTLNLFKVLSAAVKIQADKFPEHKIIVAEKDAFPTDIYIIEGFID---------LIQKGYQVELIDGVEDLSRALEKDVAVVVLSHVNYRTGYFYDMASINEQIHSKDA--------LVIWDLCHSVGAVPMHLNQTDSDFAIGCTYKYLNGGPGSPALLWVNEKHRDQFWQPLSGWWSHKKPFDMAQHYEPANSIRRYLCGTQPVISMSLIECGVDIFLHADMQKIREKSLKLTDLFIQLVHQECSEFGFELITPLDHKHRGSHVSYRHE--FGYEIIQALIARGVIGDYREPAVLRFGITPLYLGFEDIWNAVQHLKATMLNSEWKNKEYL--VRGEVT 5I90 Chain:A ((38-427)) -----------------NKWKALRQQFDLDPQYLHFANFLLTSHPRPVREAIERLRVRFDRNPGEAVDWHREEIWKYEDEARAWAGRYFAVQPGQVALTGSTTDGLAAIYGG-LLVQ----PGKEILTSSHEHYSTYTTLEYRHKRMGTQVREFPLFKDPHRVSADEILSSIAAQIRPQTRVLGMTWVQSGSGVKLPIREIGKLVRELNQKRDEQDRIIYVVDGVHGFGVEDVSFADFDCDYFIAGTHKWLFG-PRGTGVIIARSEQLQEHLVPSIPTFSRAD--NFGTLMTPG--------GYHAFEHRLALGTAFELHLQLGKAEVQARIHQLNAYLKQRLGEHPK---VRLVTPTSPELSSGFTFFRVEGRDCEAVAKHLMAHRVISDAVDRDV----------------GPVVRLAPSLLNDEAEIDRVLEILAPQLA

General information: TITO was launched using: RESULT: Template: 5I90.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 : 2045 17471 8.54 47.48 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 8.54 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_5I90.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5I90-query.scw PDB file : Tito_Scwrl_5I90.pdb: