Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNISLIVGLGNPGSEYAQTRHNAGFWFVEQLADKYGITLKNDPKFHGISGRGNIEGHDVRLLLPMTYMNRSGQSVVPFSKFYQIAPEAILIAHDELDMNPGVIRLKTGGGHGGHNGLRDIVPHIGPNFHRLRIGIGHPGSKERVSGHVLGKAPSSEQSLMDGAIDHALSKVKLLVQGQVPQAMNQINAYKPA 4IKO Chain:A ((1-193)) MSNISLIVGLGNPGSEYAQTRHNAGFWFVEQLADKYGITLKNDPKFHGISGRGNIEGHDVRLLLPMTYMNRSGQSVVPFSKFYQIAPEAILIAHDELDMNPGVIRLKTGGGHGGHNGLRDIVPHIGPNFHRLRIGIGHPGSKERVSGHVLGKAPSNEQSLMDGAIDHALSKVKLLVQGQVPQAMNQINAYKPA

General information: TITO was launched using: RESULT: Template: 4IKO.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 : 1077 -109551 -101.72 -567.62 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 1.00 3D Compatibility (PKB) : -101.72 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 1.00 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_4IKO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IKO-query.scw PDB file : Tito_Scwrl_4IKO.pdb: