Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVGKMMFGFFKKKEKEPKKVLAKEEKALSPEATEKIQSEITQLKQEISTTQDKHK-LAKLYEQVGLKFSELYVNDQAIQYLEKSLENKQTIGDGYKKLMSLYNQKRADAARAGDDQGIDYYMGKMDEMRQIAKQVTIKGNK 4I17 Chain:A ((16-102)) -----------------------------DALNAKNYAVAFEKYSEYL-K--LTNNQDSVTAYNCGVCADNIKKYKEAADYFDIAIKKNYNLANAYIGKSAAYRDMKNN------QEYIATLTEG-----------------

General information: TITO was launched using: RESULT: Template: 4I17.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 : 346 -1799 -5.20 -20.91 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -5.20 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_4I17.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I17-query.scw PDB file : Tito_Scwrl_4I17.pdb: