Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNWMEFISSIVKSIIWPVAIIILVFKLKQPVSNLISTLAKIKYKDWEFEFTIDQKLDKISFQLNKENQYGTDDQNLKDSLNLESNSEITEETHSHYNEKTSIKGDNDLLLKMEMIRLYGAVKN----LYEKVSEKDDAADKSQGIGMLYMVDYLKRHKILNDSFAESLLDIMNIVHDLEKSH---ISQSYIMNKFFWNVDKSVKRLMEITSNYVAENTAGETSN 2HSB Chain:A ((27-118)) ------------------------------------------------------------------------------------------------------------LYERCCSTAYYAMFHAAKAMLLGYGRDSKTHR-----GTIYLIWECREELGLSDDDCSKLSRAFDLREESDYGIYKEVSKD-LAIKILKDAEIFVQKA------------------

General information: TITO was launched using: RESULT: Template: 2HSB.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 : 296 -12346 -41.71 -145.24 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -41.71 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.624

(partial model without unconserved sides chains): PDB file : Tito_2HSB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HSB-query.scw PDB file : Tito_Scwrl_2HSB.pdb: