Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGITKEEVNSYYQKAGIVLTDEEVDQIQLMDYGLGKERKVGLQLFVYVNTDRYCSKELVLFP-GQTCPEHRHPPVDGQEGKQETFRCRYGKVYLYVEGEKTPLPKVLPPQEDREHYTVWHEIEL-EPGGQYTIPPNTKHWFQAGEEGAVVTEMSSTSTDKHDIFTDPRI 4ZU4 Chain:A ((55-139)) -----------------------------------------------------------GVPNKEVRGEHAHK------ECKQFLICVSGNCSVLVDDGE-----------------NREEYVLDSIDKGIYLPPMTWGVQYKYSKDAVLLVFASHYYDSDDYIRDY--

General information: TITO was launched using: RESULT: Template: 4ZU4.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 : 353 -25972 -73.57 -312.91 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -73.57 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_4ZU4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZU4-query.scw PDB file : Tito_Scwrl_4ZU4.pdb: