Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAALTDLSFMYRWFKNCNLVGNLSEKYVFITGCDSGFGNLLAKQLVDRGMQVLAACFTEEGSQKLQRDT-----SYRLQTTLLDVTKSESIKAAAQWVRDKVGEQGLWALVNNAGVGLPSGPNEWLTKDDFVKVINVNLVGLIEVTLHMLPMVKRA--RGRVVNMSSSGGRVAVIG--GGYCVSKFGVEAFSDSIRRELYYFGVKVCIIEPGNYRTAILGKENLESRMRKLWERLPQETRDSYGEDYFRIYTDKLKNIMQVAEPRVRDVINSMEHAIVSRSPRIRYNPGLDAKLLYIPLAKLPTPVTDFILSRYLPRPADSV 4YAG Chain:A ((2-198)) ---------------------DIAGTTAFITGGASGIGFGIAQRLLANGARLVLADIRQDHLDEARQFFEERQQGRNVHTIRLDVSDRAQMAEAARECEAVMG--GPDILINNAGIDP-SGPFKDATYQDWDYGLAINLMGPINGIMAFTPGMRARGRGGHIVNTASLAGLTPMPSFMAIYATAKAAVITLTETIRDSMAEDNIGVTVLMPGPIKSRIHES-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YAG.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 : 998 -49267 -49.37 -262.06 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -49.37 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_4YAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YAG-query.scw PDB file : Tito_Scwrl_4YAG.pdb: