Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEKNLTVIGSYSTREEALSVIERLRNEGYERDDIVIYTTDEAASRLGFDGLSGIDVETDENRMDGEEDRSLWEKIKDTFSFDTYDSETATPENDPLYQYRGDISDGKFVITVKGYRQPETTEDTMDTQDTVSPASTMGTGLETGTGTDPMDVGGTTGFQNTTDPLNMTPGTDPMDVPGETDTMGTSKTEDIDRKPNLDDDTIQLKEEKLDVNTHDVTTGEVDIHKHVVNDTETVEVPVKREEIVIERKPVTDQSSQGTDEKLEDDTITIPIKEEQVDVSKHTVIREEVGIHKEEHEDVEKVTEDVSREELDIDTSGDVHIEDRNKKS 4WK1 Chain:A ((18-71)) -GSHMKMIIAIVQDQD-SQELADQLVKNNFR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4WK1.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 : 18 -2847 -158.14 -98.16 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -158.14 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_4WK1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WK1-query.scw PDB file : Tito_Scwrl_4WK1.pdb: