Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKNKVILSISLAAALLFAAGCSANNTTSSSSSTESSKSTSTAESTTASSVDLNALELPQLTKDVAENEDLVEMVTNKGTIKIKLFPEYAPKAVENFMTHAKDGYYNGLTFHRVIKDFMIQGGDPKGDGTGGESIWGEGFETEINNHL-YNIRGALSMARSQDPNSNGSQFFIVQNTDDMHDGLLKDDYPQAIIDAYKNGGYPSLDGHYTVFGQVIEGMDVVDA--IANIETDSSDKPKEEVKIDKINILQEAKQK 4R3E Chain:A ((17-169)) -----------------------------------------------------------------------VLLKTTAGDIDIELWSKEAPKACRNFIQLCLEAYYDNTIFHRVVPGFIVQGGDPTGTGSGGESIYGAPFKDEFHSRLRFNRRGLVAMANAGS-HDNGSQFFFTLGRAD------------------------ELNNKHTIFGKVT-GDTVYNMLRLSEVDIDDDERPHNPHKIKSCEVL------

General information: TITO was launched using: RESULT: Template: 4R3E.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 : 791 -35962 -45.46 -239.74 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -45.46 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_4R3E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R3E-query.scw PDB file : Tito_Scwrl_4R3E.pdb: