Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTA-PSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH 3LAC Chain:A ((2-204)) --KTVLLTGFDPFGGESINPAWEVAKSLHEKTIGEYKIISKQVPTVFHKSISVLKEYIEELAPEFIICIGQAGGRPDITIERVAINIDDARIADNEGNQPVDVPVVEEGPAAYWSTLPMKAIVKKLQEEGIPASVSQTAGTFVCNHLFYGLMHELEKHDTKMKGGFIHIPFLPEQASNYPGQPSMSLSTIRKGIELAVEVTTTVE-----------

General information: TITO was launched using: RESULT: Template: 3LAC.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 : 1117 -129679 -116.10 -641.98 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -116.10 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_3LAC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LAC-query.scw PDB file : Tito_Scwrl_3LAC.pdb: