Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQSISVQDFNKLPLDADSIVLDTRNTLDYTKNHLSHSLSIPAAILPRQLKNLDPKKLYYILSYTGRRSEALADQLTANGFRAVYIIGGMEALQSSVA 4OCG Chain:B ((483-557)) --------------LSEDQLLLDVRNPGELQNGGLEGAVNIPVDELRDRMHELPKDKEIIIFCQVGLRGNVAYRQLVNNGYRARNLIGG---------

General information: TITO was launched using: RESULT: Template: 4OCG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 315 -43988 -139.64 -586.51 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -139.64 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.713

(partial model without unconserved sides chains): PDB file : Tito_4OCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OCG-query.scw PDB file : Tito_Scwrl_4OCG.pdb: