Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MKSLLAIYPGSI------------VSEELCIR------EGCLCFFDESNQRYISIPKTEISEKEVLVLQSFLTPADEGNQLS-MKSPEENKWFS---FLFSRGELPAY-IKKRTRFVHFHL--------------FGKIERT---------SFTEAVRHFWPVSFVIVWIHEDR-------GVIVEQESEAAA-----EKDELESLAKVLESD-----FYFSVRF----YAGRFYEPDECLRKHYAREQA-------------------------------YFLFAEKRLPQVQSV----TFEMIF-------------PFLL-LETEKEKLETLLSEE---AELLFGSESELRKTIKLFIENNSNVTLTAKKLHLHRNSLQYRIDKFIER---SGIDIKSYKGALLAYFICLQNESSE----- 4R5O Chain:A ((2-427)) DDCEDLHLGNLAHYPNVLKGTFPTESQVLELGETLEITPELLNPEGATYSWLVNGKEYSTEPTFSYKIDNPCRADLSCIIKNKYGKVEMSTSFSSNHNFSKGFFYVADGTFNFYDTEKKTAYQDCYASLNAGKTLGIGNYDSANIIHSNGKFYLLVGTSTSNRDHFYIVDAKTLYYENSAVVGANLSGLTILNEQYGLVTGDGIRRIDLKSLNNVRIKNERLLCFYNSIIYNGKVLSNDTYKDESKVKYYDVNELIAAKEGEAPAVTELDIIQKQKINFVLAKDGNVYTLESADNGCNIVKIKNDFTLEKVFANFQPAKGPYHSSPTIGMVASETENIIYLVSTDGAIYKYILGDSDSLKAP---FIAAESGVSITAP-LQLNQQSGELYVTYTEERKDESKIVVYSKDGKVLHTVDCGESVPSQILFNN

General information: TITO was launched using: RESULT: Template: 4R5O.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 : 1425 57614 40.43 196.63 target 2D structure prediction score : 0.31 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 40.43 2D Compatibility (Sec. Struct. Predict.) : 0.31 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.080

(partial model without unconserved sides chains): PDB file : Tito_4R5O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R5O-query.scw PDB file : Tito_Scwrl_4R5O.pdb: