Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVDAAAHRADGGRHGGGGGGSGDESKAKKTKPEEYEHPFWYVYRQRGVSYWDYKNARVDFNANLAPYELLQKIGRGKYSEVFRGRNRNNGCLCVLKLLKPVRYQKILREISILRNLCGGPNVVRLLDVLRDAESQTVVLVTEYVHNPTTLRNLLYSNKLSNFDMRYYLYEILRSLDFAHRRGIFHRDIKPYNVMIDHERKILRVIDWGLGEYYIHGQALNCGVATRHYKGPELLVGYRHYDYSLDIWCLGCVLAGMLFRSDPFFVGANNEDQLLQIVAVFGKKALYRYLDKYQCRISRVVESSMSALPDEHVDWRRYIKRGSIQESWCDATALDLLDKMLQFDHQDRIMAHEAMQHPFFAPVRDALAKDSQEHYPVARH 4RLK Chain:A ((19-328)) ----------------------------------------------------WDYEALTVQWGE-QDDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGPNIVKLLDIVRDQHSKTPSLIFEYVNNT-DFKVLY--PTLTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGR--HSRKPWLKFMN--ADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAENS-----------

General information: TITO was launched using: RESULT: Template: 4RLK.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 : 1558 -214152 -137.45 -690.81 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -137.45 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.528

(partial model without unconserved sides chains): PDB file : Tito_4RLK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RLK-query.scw PDB file : Tito_Scwrl_4RLK.pdb: