Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTNLAHKQEEDNVITLHPSTAKKKERTAMSDKFDKGYVMSSRLYRNEVKPFLGDAARNVYAELEEYISGFNKESDFVSYSQLQGKKIEGLEEHVRKLSTATVRAGLKQLIEYGVISIVATNPKLGNKYKLNEISLVEHFSNKSTSETKALQKLNSTTLETKAQGTLETKDTIDIIYRYLIIDNLFNSLRSNKPLENHFFVYQENKKQVFLEQQKLEAEEKAKAEKERKDKVRKLSFDEVIKLTKTTFANLCDLELWEQYVAFRSQKANTKLTKNALNVIYKDLKAWGFQGSNQSLKTAISGNYLGLFAPKQQNHGFVNQSQASTRMSEIQELIAKEEAGNEQYGF 4LLN Chain:J ((28-84)) --------------------------------------------------FDITNEQGHTLGYLYAHQ-Q-----DGLTQNDIAKA---------LQRTGPTVSNLLRNLERKKLIYRYVDA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LLN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 130 -23166 -178.20 -406.41 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain J : 0.59 3D Compatibility (PKB) : -178.20 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_4LLN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LLN-query.scw PDB file : Tito_Scwrl_4LLN.pdb: