Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDYSKFQTTTDRSDMFYWQGDRPFDPIETKEIFLDRHETYDENVAKAAVSYGMQQAGKSETDAEVVHIDPSIVVGSVNIVCRAVLKDETAVIIRMHPQKIHNGYFWSESVASQIAKDN---GVPTYTTYFVDDSQSKFDFDYMIMECVPGKNIRKD-MWPLSKELDKKIAQETGYWAAKINSIATSGYGFFDNAKAKKEKKLAGVHTKWEEHLFAANEKNIGYLEDKQVITNEERKTIDAIFDTKKSYINCENPKLIQNDIADWNELASDDGTITGVLDWDECFSGDPIMEIAAWSLF----FGGERLENFFIGYRKVIEAEGGFEEKYHIYRLRYVLSKLAMRKKKTEFTYYDTQFQRSLVNVGLEALREELTWQSTHH 5IQI Chain:C ((9-289)) --------------------------------------ATNVKAMKYLIEHYF---D----NFKVDSIE-IIGSGYDSVAYLVN----NEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSYI---SDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTID---------NKQNVLEE-YILLRETIYNDLTD---IEKDYIESFMERLNA--TTVFEGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNI--DIEKAKEYQDIVEEYYPIETIVYGIKNIKQE-----------------------------

General information: TITO was launched using: RESULT: Template: 5IQI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1204 -11405 -9.47 -41.77 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.65 3D Compatibility (PKB) : -9.47 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.274

(partial model without unconserved sides chains): PDB file : Tito_5IQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqi-query.scw PDB file : Tito_Scwrl_5IQI.pdb: