Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIVFKCGGSVIRELSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS 3ZZF Chain:A ((52-227)) -----VIKVGGAIISDNLHELASCLAFLYHVGLYPIVLHGTGPQVNGRLEAQGIEPDYIDGIRITDEHTMAVVRKCFLEQ-NLKLVTALEQLGVRARPITS---GVFTADYLDKDKYKLVGNIKSVTKEPIEASIKAGALPILTSLAETASGQMLNVNADVAAGELARVFEPLKIVYLNEKGGII-------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZZF.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 : 865 -117555 -135.90 -667.93 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -135.90 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_3ZZF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZZF-query.scw PDB file : Tito_Scwrl_3ZZF.pdb: