Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAANGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVL-GILNKQEYDHMVQDTVSFYENRGEQFKRDEAIR-NASLSAMMFMLSAKEKGWDTCPMIGFDAEAVKRILNIDDQFEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM 3GAG Chain:A ((5-205)) --DYLNFLDGRVSVRRFDPDAVLPNDLIKDMLEHASYAPSGNNFQPWRVVVVKNKNKQEDLKKLAALQPQVATASAVFLLFGDENAYDLT--WWQEFHVQKGIITKDEAAARAERIRQYFDLHPED-KETQGLRLDVGLFAMNLMQVVRVYGYDSVPMRGVDFDAIKTYLDMPNGWEPILMLPVGK-ALQAGNPH-VRKSVAEFAEII

General information: TITO was launched using: RESULT: Template: 3GAG.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 : 856 -94371 -110.25 -474.22 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -110.25 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.536

(partial model without unconserved sides chains): PDB file : Tito_3GAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GAG-query.scw PDB file : Tito_Scwrl_3GAG.pdb: