Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNKVILSISLAAALLFAAGCSANNTTSSSSSTESSKSTSTAESTTASSVDLNALELPQLTKDVAENEDLVEMVTNKGTIKIKLFPEYAPKAVENFMTHAKDGYYNGLTFHRVIKDFMIQGGDPKGDGTGGESIWGEGFETEINNHL-YNIRGALSMARSQDPNSNGSQFFIVQNTDDMHDGLLKDDYPQAIIDAYKNGGYPSLDGHYTVFGQVIEGMDVVDAIANIET-DSSDKPKEEVKIDKINILQEAKQK 2OK3 Chain:A ((3-154)) -----------------------------------------------------------------------VTLHTDVGDIKIEVFCERTPKTCENFLALCASNYYNGCIFHRNIKGFMVQTGDPTGTGRGGNSIWGKKFEDEYSEYLKHNVRGVVSMA-NNGPNTNGSQFFITY------------------------GKQPHLDMKYTVFGKVIDGLETLDELEKLPVNEKTYRPLNDVHIKDITI-------

General information: TITO was launched using: RESULT: Template: 2OK3.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 : 764 -15698 -20.55 -104.65 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -20.55 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_2OK3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OK3-query.scw PDB file : Tito_Scwrl_2OK3.pdb: