Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYGDSREKILSAATRLFQLQGYYGTGLNQIIKESGAPKGSLYYHFPGGKEQLAIEAVNEMKEYIRQKIADCMEACTDPAEGIQAFLKELSCQFSCTEDIEGLPV-GLLAAETSLK---------SEPLREACHEAYKEWASVYEEKLR----QTGCSESRAKEASTVVNAMIEGGILLSLTAKNSTPLLHISSCIPDLLKR 4NEL Chain:A ((2-185)) ----EARRRILETAWRLIARRGYHNVRIHDIASELGTSNATIHYHFPSKKDILLEALRRNVKLAFDRQVAE-LHTIADARERL-VRLVELQ-----------LPTPGLLRDEWSVWLQVWTESTLNPKIRDLYNDAYDRWYQTIAMTIRTGQKQGVFRDQDADELATRLSALIDGLGIQVLTGKRGCSVDHMRQHLNDFIE-

General information: TITO was launched using: RESULT: Template: 4NEL.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 : 573 -58194 -101.56 -342.32 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -101.56 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_4NEL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NEL-query.scw PDB file : Tito_Scwrl_4NEL.pdb: