Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTSRKVVIVGTGFVGTSIAYAMINQGISNELVLIDVNQEKAEGEALDLLDGMAWGDENVAVWSGGYEECKDADIVVITAGINQKPGQSRLDLVKTNASIMRQIVKEIMGSGFDGIIVVASNPVDILTYIAWNESGLPTSRVIGTGTTLDTTRFRKEIALKLKVDPRSVHGYILGEHGDSEVAAWSHTTVGGKPVFEIVEKDHRIAQDELDVIADKVRNAAYEIIDRKKATYYGIGMSTARIVKAILNNEQAVLPVSAYLTGEYDEKDIFTGVPSIVDENGVREVVELSINEEEKAMFSKSTSALREVLNTVL 3PQF Chain:D ((3-310)) --KHVNKVALIGAGFVGSSYAFALINQGITDELVVIDVNKEKAMGDVMDLNHGKAFAPQPVKTSYGTYEDCKDADIVCICAGANQKPGETRLELVEKNLKIFKGIVSEVMASGFDGIFLVATNPVDILTYATWKFSGLPKERVIGSGTTLDSARFRFMLSEYFGAAPQNVCAHIIGEHGDTELPVWSHANVGGVPVSELVEKNDAYKQEELDQIVDDVKNAAYHIIEKKGATYYGVAMSLARITKAILHNENSILTVSTYLDGQYGADDVYIGVPAVVNRGGIAGITELNLNEKEKEQFLHSAGVLKNIL----

General information: TITO was launched using: RESULT: Template: 3PQF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1672 -237518 -142.06 -771.16 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.88 3D Compatibility (PKB) : -142.06 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.594

(partial model without unconserved sides chains): PDB file : Tito_3PQF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PQF-query.scw PDB file : Tito_Scwrl_3PQF.pdb: