Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQ----TIDKTAPSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH 1AUG Chain:A ((1-210)) MEKKVLLTGFDPFGGETVNPSWEAVKRLNGAAEGPASIVSEQVPTVFYKSLAVLREAIKKHQPDIIICVGQAGGRMQITPERVAINLNEARIPDNEGNQPVGEDISQGGPAAYWTGLPIKRIVEEIKKEGIPAAVSYTAGTFVCNHLFYGLMDEISRHHPHIRGGFIHIPYIPEQTLQK----SAPSLSLDHITKALKIAAVTAAVHE----DDIETG-

General information: TITO was launched using: RESULT: Template: 1AUG.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 : 1195 -112597 -94.22 -546.58 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : -94.22 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.669

(partial model without unconserved sides chains): PDB file : Tito_1AUG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AUG-query.scw PDB file : Tito_Scwrl_1AUG.pdb: