Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVDAAAHRADGGRHGGGGGGSGDESKAKKTKPEEYEHPFWYVYRQRGVSYWDYKNARVDFNANLAPYELLQKIGRGKYSEVFRGRNRNNGCLCVLKLLKPVRYQKILREISILRNLCGGPNVVRLLDVLRDAESQTVVLVTEYVHNPTTLRNLLYSNKLSNFDMRYYLYEILRSLDFAHRRGIFHRDIKPYNVMIDHERKILRVIDWGLGEYYIHGQALNCGVATRHYKGPELLVGYRHYDYSLDIWCLGCVLAGMLFRSDPFFVGANNEDQLLQIVAVFGKKALYRYLDKYQCRISRVVESSMSALPDEHV--DWRRYIKRGSIQESWCDATALDLLDKMLQFDHQDRIMAHEAMQHPFFAPVRDALAKDSQEHYPVARH 1DS5 Chain:A ((14-325)) -----------------------------------------------RPKEYWDYEALTVQWGEQ-DDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGPNIVKLLDIVRDQHSKTPSLIFEYVNN--TDFKVLYPT-LTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIEL----DPQLEALVGRHSRKPWLKFM--NADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAA--------------

General information: TITO was launched using: RESULT: Template: 1DS5.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 : 1594 -147429 -92.49 -475.58 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -92.49 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_1DS5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DS5-query.scw PDB file : Tito_Scwrl_1DS5.pdb: