Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNISLIVGLGNPGSEYAQTRHNAGFWFVEQLADKYGITLKNDPKFHGISGRGNIEGHDVRLLLPMTYMNRSGQSVVPFSKFYQIAPEAILIAHDELDMNPGVIRLKTGGGHGGHNGLRDIVPHIGPNFHRLRIGIGHPGSKERVSGHVLGKAPSSEQSLMDGAIDHALSKVKLLVQGQVPQAMNQINAYKPA 3WH4 Chain:A ((4-196)) MSNISLIVGLGNPGSEYAQTRHNAGFWFVEQLADKYGITLKNDPKFHGISGRGNIEGHDVRLLLPMTYMNRSGQSVVPFSKFYQIAPEAILIAHDELDMNPGVIRLKTGGGHGGHNGLRDIVPHIGPNFHRLRIGIGHPGSKERVSGHVLGKAPSNEQSLMDGAIDHALSKVKLLVQGQVPQAMNQINAYKPA

General information: TITO was launched using: RESULT: Template: 3WH4.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 : 1078 -103838 -96.32 -538.02 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 1.00 3D Compatibility (PKB) : -96.32 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 1.00 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_3WH4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WH4-query.scw PDB file : Tito_Scwrl_3WH4.pdb: