Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANVDAAAHRADGGRHGGGGGGSGDESKAKKTKPEEYEHPFWYVYRQRGVSYWDYKNARVDFNANLAPYELLQKIGRGKYSEVFRGRNRNNGCLCVLKLLKPVRYQKILREISILRNLCGGPNVVRLLDVLRDAESQTVVLVTEYVHNPTTLRNLLYSNKLSNFDMRYYLYEILRSLDFAHRRGIFHRDIKPYNVMIDHERKILRVIDWGLGEYYIHGQALNCGVATRHYKGPELLVGYRHYDYSLDIWCLGCVLAGMLFRSDPFFVGANNEDQLLQIVAVFGKKALYRYLDKYQCRISRVVESSMSALPDEHVDWRRYIKRGSIQESWCDATALDLLDKMLQFDHQDRIMAHEAMQHPFFAPVRDALAKDSQEHYPVARH 5MOH Chain:A ((14-326)) -------------------------------------------VNTHRPSEYWDYESHVVEW-GNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNN-TDFKQLYQT--LTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKR--WERFVH--SENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTV-----------------

General information: TITO was launched using: RESULT: Template: 5MOH.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 : 1579 -225143 -142.59 -719.31 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -142.59 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_5MOH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MOH-query.scw PDB file : Tito_Scwrl_5MOH.pdb: