Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAHELKEALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTSDHYHAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECSKKENH 2FE3 Chain:B ((3-145)) --AHELKEALETLKETGVRITPQRHAILEYLVNSMAHPTADDIYKALEGKFPNMSVATVYNNLRVFRESGLVKELTYGDASSRFDFVTSDHYHAICENCGKIVDFHYPGLDEVEQLAAHVTGFKVSHHRLEIYGVCQECSKKENH

General information: TITO was launched using: RESULT: Template: 2FE3.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 : 464 -70610 -152.18 -493.78 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.99 3D Compatibility (PKB) : -152.18 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.633

(partial model without unconserved sides chains): PDB file : Tito_2FE3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2FE3-query.scw PDB file : Tito_Scwrl_2FE3.pdb: