Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSS--DLVEAGIAAPALDLTTVLAVAKGSNLKV--AAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK 3GVG Chain:B ((24-273)) -SRKPLIAGNWKMNLNHYEAIALVQKIAFSLPDKYYDRVDVAVIPPFTDLRSVQTLVDGDKLRLTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNIEQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASPRIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATL-----

General information: TITO was launched using: RESULT: Template: 3GVG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1339 -28989 -21.65 -117.84 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -21.65 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_3GVG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GVG-query.scw PDB file : Tito_Scwrl_3GVG.pdb: