Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRNIGQAGKILADSGYQGL--------MKIYPQAQTPRKSSKLKPLTVEDKACNHALSKERSKVENIFAKVKTFKMF------STTYRNHRKRFGLRMNLIAGIINHELGF--------- 5KPE Chain:A ((1-120)) MQDIVEAAKQAAIAIFQLWKNPTDPEAQELLNKILSPDVLDQVREHARELQKQGIHFEVKRVEVTTDGNTVNVTVELEETTGGTTTNTTYELRFEVDGDTIRRVTVTQNGGSLEHHHHHH

General information: TITO was launched using: RESULT: Template: 5KPE.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 : 379 19230 50.74 198.24 target 2D structure prediction score : 0.16 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 50.74 2D Compatibility (Sec. Struct. Predict.) : 0.16 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.132

(partial model without unconserved sides chains): PDB file : Tito_5KPE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KPE-query.scw PDB file : Tito_Scwrl_5KPE.pdb: