Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVDAAAHRADGGRHGGGGGGSGDESKAKKTKPEEYEHPFWYVYRQRGVSYWDYKNARVDFNANLAPYELLQKIGRGKYSEVFRGRNRNNGCLCVLKLLKPVRYQKILREISILRNLCGGPNVVRLLDVLRDAESQTVVLVTEYVHNPTTLRNLLYSNKLSNFDMRYYLYEILRSLDFAHRRGIFHRDIKPYNVMIDHERKILRVIDWGLGEYYIHGQALNCGVATRHYKGPELLVGYRHYDYSLDIWCLGCVLAGMLFRSDPFFVGANNEDQLLQIVAVFGKKALYRYLDKYQCRISRVVESSMSALPDEHV--DWRRYIKRGSIQESWCDATALDLLDKMLQFDHQDRIMAHEAMQHPFFAPVRDALAKDSQEHYPVARH 1DAW Chain:A ((13-324)) -----------------------------------------------RPKEYWDYEALTVQWGEQ-DDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGPNIVKLLDIVRDQHSKTPSLIFEYVNN--TDFKVLYPT-LTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIEL----DPQLEALVGRHSRKPWLKFMNADN--QHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAA--------------

General information: TITO was launched using: RESULT: Template: 1DAW.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 : 1570 -145160 -92.46 -468.26 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -92.46 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.439

(partial model without unconserved sides chains): PDB file : Tito_1DAW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DAW-query.scw PDB file : Tito_Scwrl_1DAW.pdb: