Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAFTLYPAIDMRNGKCVRLVQGDYNKETIYGDSPYDMAELFEKEGAEWIHLVDLDGAKEGKRVNDRHVIEIAQKLNLKVEIGGGIRSENDVYEYLSAGVERVILGSSAVSNPPFVKKMLKQYG-EKIAIGLDAR-----NGFVSTEGWLETSTLKATELGKELANEGAEVFIFTDIATDGMLSGPNVKSTVEL-AKETGKSVIASGGVSSVADLEALARNEADGVSGAIIGKALYTNQFTLSEALERVKRK 5AHI Chain:A ((2-240)) -----IIPALNLIDGTVVRL--------RDYGNDPLPRLQDYAAQGAGVLHLVDLTGAKDPAKRQIPLIKTLVAGVNVPVQVGGGVRTEEDVAALLKAGVARVVIGSTAVKSPDVVKGWFERFGAQALVLALDVRIDEHGTKQVAVSGWQENSGVSLEQLVETYLPVGLKHVLCTDI-RDG--AGS-VSLYEEVCARYPQIAFQSSGGIGDIDDIAAL---RGTGVRGVIVGRALLEGKFTVKEAIQ-----

General information: TITO was launched using: RESULT: Template: 5AHI.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 : 1179 -40014 -33.94 -181.88 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -33.94 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_5AHI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AHI-query.scw PDB file : Tito_Scwrl_5AHI.pdb: