Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAKKVNRKRRVKKNIEAGIAHIHSTFNNTIIMITDTHGNALAWSSAGSLGFKGSKKSTPFAAQMAAETATKAAMEHGLKTVEVTVKGPGSGREAAIRSLQATGLEVTAIRDVTPVPHNGARPPKRRRV 5NO4 Chain:K ((1-117)) ------------RKQVSDGVAHIHASFNNTIVTITDRQGNALGWATAGGSGFRGSRKSTPFAAQVAAERCADAVKEYGIKNLEVMVKGPGPGRESTIRALNAAGFRITNITDVTPIPHNGCRPPKKRRV

General information: TITO was launched using: RESULT: Template: 5NO4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 510 -37053 -72.65 -316.69 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain K : 0.91 3D Compatibility (PKB) : -72.65 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.769

(partial model without unconserved sides chains): PDB file : Tito_5NO4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NO4-query.scw PDB file : Tito_Scwrl_5NO4.pdb: