Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MRKILGIASLIMSTGVVHAEQLNEQEQISPYSVNVTFASQYISRGFQQTWGKPALQIGLDYANPNGLFVGT-WASNVSSNYLRDASVEWDFYAGYLKTIDKFSIGMSVY-YYYYPGAKSTP-ETGSTNYNYGEIVPQIGYGPLSLKYFITYTPDYAGYNSNTMGGPEGKRSRGTTYLDLNFTQPINESWTFGAHYGYERIKNFSEANFQDMKVELIKDLGDGWTTGLAYTKAWDKDGYYRNYSNGESDAPISNPIDSTFTVSVKKVF 4HFS Chain:A ((10-212)) ASELPNGIGGRVYLNSTGAVFTAKIV---LPETVKNNDSVSTPYIYSGFRAT-SGTEADIGLQYSKQYNVWKPLMKVGSKNEETYIEGKDKFTYNKGFRP-------GSTVQMTIYKNLSGNTRMTLWGTNND--------------------------GYTGRIITEIQGTNIGTISKWKTLATAAVSY------ESQRDAIKATFSTSFNNITI----------------------DNKAVTPVVDTQDFAKVSVAGNNVTISVNK--

General information: TITO was launched using: RESULT: Template: 4HFS.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 : 1158 61363 52.99 311.49 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 52.99 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.121

(partial model without unconserved sides chains): PDB file : Tito_4HFS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HFS-query.scw PDB file : Tito_Scwrl_4HFS.pdb: