Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRVAKAPVTVPNGVTVTQNGRQVEVKGSKGTLSFNLHALVELKQEEGKLQLAPAKESKDAWMQAGTARAVLNNLVKGVSEGFERKLQLVGVGYKAVVKGTVVNLNLGYSHPIDYALPEGVTAETPTATEIILKSANKQLLGQVAAEIRAYRSPEPYKGKGVRYSDEVILRKEAKKK 4CSU Chain:G ((1-176)) -SRVAKAP-VVPAGVDVKINGQVITIKGKNGELTRTLNDAVEVKHADNTLTFGPRDGYADGWAQAGTARALLNSMVIGVTEGFTKKLQLVGVGYRAAVKGNVINLSLGFSHPVDHQLPAGITAECPTQTEIVLKGADKQVIGQVAADLRAYRRPEPYKGKGVRYADEVVRTKEAKKK

General information: TITO was launched using: RESULT: Template: 4CSU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 784 -28114 -35.86 -160.65 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain G : 0.87 3D Compatibility (PKB) : -35.86 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.313

(partial model without unconserved sides chains): PDB file : Tito_4CSU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CSU-query.scw PDB file : Tito_Scwrl_4CSU.pdb: