Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKVNKTDREWQRELSPEEYRITRQKGTEPAFTGQYWNTKQHGTYVCRCCGAELFSSDAKYDSGCGWPSFFRPLNGSVIDEHEDLTHGMVRTEIVCHDCEAHLGHVFEDGPQP-TGLRYCVNSASLQLKTQEKNDEGTYP 3HCG Chain:B ((3-139)) ---KKPSDAELKRTLTEEQYQVTQNSATEYAFSHEYDHLFKPGIYVDVVSGEPLFSSADKYDSGCGWPSFTRPIDAKSVTEHDDFSYNMRRTEVRSHAADSHLGHVFPDGPRDKGGLRYCINGASLKFIPLEQMDAAGYG

General information: TITO was launched using: RESULT: Template: 3HCG.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 : 684 -20938 -30.61 -153.95 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -30.61 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_3HCG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HCG-query.scw PDB file : Tito_Scwrl_3HCG.pdb: