Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKPIIAGNWKMNKTASEAKEFAEAVKNKIPSNDKVDSVIGSPALFLQELMTSAEGTELKISAQNCYWENSGAFTGETSPAALADLGVHYVIIGHSERREYFHETDEDINKKAKAIFANGMTPILCCGESLETYEAGKTAEWIEGQITAGLADLSAEQVSNMVIAYEPIWAIGTGKSADAQIADEICGVVRQTVEKLYGKEVSEAVRIQYGGSVKPENIAEYMAKENVDGALVGGASLQADSFLSLLDAVK 5IBX Chain:H ((5-255)) SRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMA-PDVDGALVGGASLEAESFLALLDFVK

General information: TITO was launched using: RESULT: Template: 5IBX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1391 -130850 -94.07 -523.40 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain H : 0.92 3D Compatibility (PKB) : -94.07 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_5IBX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IBX-query.scw PDB file : Tito_Scwrl_5IBX.pdb: