Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKHKK-IPLRKCVVTGEMKPKKELIRVVRSKEGEISVDPTGKKNGRG-AYLTLDKECILAAK-KKNTLQNQFQSQIDDQIFDELLELAEKVKK- 3NZL Chain:A ((7-79)) --HHSHMLPPEQWSHTTVRNALKDLLK--------------------DMNQSSLAKECPLSQSMISSIVNSTYYANVSAAKCQEFGRWYKHFKKT

General information: TITO was launched using: RESULT: Template: 3NZL.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 : 218 -24886 -114.15 -360.66 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -114.15 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_3NZL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NZL-query.scw PDB file : Tito_Scwrl_3NZL.pdb: