Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVDAAAHRADGGRHGGGGGGSGDESKAKKTKPEEYEHPFWYVYRQRGVSYWDYKNARVDFNANLAPYELLQKIGRGKYSEVFRGRNRNNGCLCVLKLLKPVRYQKILREISILRNLCGGPNVVRLLDVLRDAESQTVVLVTEYVHNPTTLRNLLYSNKLSNFDMRYYLYEILRSLDFAHRRGIFHRDIKPYNVMIDHERKILRVIDWGLGEYYIHGQALNCGVATRHYKGPELLVGYRHYDYSLDIWCLGCVLAGMLFRSDPFFVGANNEDQLLQIVAVFGKKALYRYLDKYQCRISRVVESSMSALPDEHV--DWRRYIKRGSIQESWCDATALDLLDKMLQFDHQDRIMAHEAMQHPFFAPVRDALAKDSQEHYPVARH 3KXM Chain:A ((13-324)) -----------------------------------------------RPKEYWDYEALTVQWGEQ-DDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGPNIVKLLDIVRDQHSKTPSLIFEYVNN--TDFKVLYPT-LTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIEL----DPQLEALVGRHSRKPWLKFMNADN--QHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAA--------------

General information: TITO was launched using: RESULT: Template: 3KXM.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 : 1551 -139115 -89.69 -448.76 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -89.69 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_3KXM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KXM-query.scw PDB file : Tito_Scwrl_3KXM.pdb: