Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNKVILSISLAAALLFAAGCSANNTTSSSSSTESSKSTSTAESTTASSVDLNALELPQLTKDVAENEDLVEMVTNKGTIKIKLFPEYAPKAVENFMTHAKDGYYNGLTFHRVIKDFMIQGGDPKGDGTGGESIWGEGFETEINNHL-YNIRGALSMARSQDPNSNGSQFFIVQNTDDMHDGLLKDDYPQAIIDAYKNGGYPSLDGHYTVFGQVIEGMDVVDAIANIET-DSSDKPKEEVKIDKINILQEAKQK 1XYH Chain:A ((3-154)) -----------------------------------------------------------------------VTLHTDVGDIKIEVFCERTPKTCENFLALCASNYYNGCIFHRNIKGFMVQTGDPTGTGRGGNSIWGKKFEDEYSEYLKHNVRGVVSMA-NNGPNTNGSQFFITY------------------------GKQPHLDMKYTVFGKVIDGLETLDELEKLPVNEKTYRPLNDVHIKDITI-------

General information: TITO was launched using: RESULT: Template: 1XYH.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 : 756 -17385 -23.00 -115.90 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -23.00 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_1XYH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XYH-query.scw PDB file : Tito_Scwrl_1XYH.pdb: