Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLALFDLDHTLLNTDSDHSWGEFLVNEGLVDPVHHRQMNDKFYEDYKAGQLDPYAYNEFVFGFLTKHDNNYLTELHQLFMEKVIRPKMRPKGFDAIKKHQDLGHTIVGITATSDFITAPIFREFGI-TEILATNAEVA-DGKYTGKVAGLA------CYQKGKLARLEAWLDGRSVSESWAYSDSINDRFLLEYATHAIAVNPDDRLEKLAQEHNWEIQDWSI 2FEA Chain:A ((77-189)) ---------------------------------------------------------------------------------------KIREGFREFVAFINEHEIPFYVISGGMDFFVYPLLEGIVEKDRIYCNHASFDNDYIHIDWP-HSCKGTCSNQCGCCKPSVIHELSEP--NQYIIMIGDSVTDVEAAKLSDLCFARD---------------------

General information: TITO was launched using: RESULT: Template: 2FEA.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 : 326 -34899 -107.05 -332.37 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -107.05 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.331

(partial model without unconserved sides chains): PDB file : Tito_2FEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FEA-query.scw PDB file : Tito_Scwrl_2FEA.pdb: