Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVIFLQDVKGKGKKGEVKNVADGYAHNFLIKKGLAVEANASNISALNGQKQKEKKEAIAELEQAKSLKETLEKL-TVELSAKSGEGGRLFGSVTSKQITEQLQKDHNIKVDKRKLELPDGI-RALGYTNVPVKLHPEVQAVLKVHVKEEA 4CSU Chain:H ((1-149)) MQVILLDKVANLGSLGDQVNVKAGYARNFLVPQGKAVPATKKNIEFFEARRAELEAKLAEVLAAANARAEKINALETVTIASKAGDEGKLFGSIGTRDIADAVTA-AGVEVAKSEVRLPNGVLRTTGEHEVSFQVHSEVFAKVIVNVVAE-

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 H - contact count / total energy / energy per contact / energy per residue : 638 3157 4.95 21.48 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain H : 0.79 3D Compatibility (PKB) : 4.95 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.215

(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: