Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence RRMCILTLAEKTQNPEKPNFLEDTYQEVEAPAAAMLSYGGHEIHFELDKNCWPRLRHGS-----AVPPGYSA----HIYSEGSDKYPPTSAVIEGTHVQKLPGFNPKGNVRFYEKLIGLS 4PEG Chain:A ((5-91)) ----------QIQHIAIVGCVHGKYREMYRQLSEYEKSTGKEISFVICTGDMQTLRYEADLVYLKVPPKYKQMGDFHLYYEGKEKAPYLTLFIGGNH-----------------------

General information: TITO was launched using: RESULT: Template: 4PEG.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 : 230 5180 22.52 66.40 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 22.52 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.120

(partial model without unconserved sides chains): PDB file : Tito_4PEG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PEG-query.scw PDB file : Tito_Scwrl_4PEG.pdb: