Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSLSVQELSKNFGHKQALSDVSFSLSPGKIVGLVGPNGAGKTTIMKAILGLIHYSDGTICIGE---NEISPSSHKGLEQVGALIEYPGIYPFLTGYDHLKLFSETNDVS------AIDTIVNQLKMEKYIHKKAKSYSLGMKQKLGIALALLNHPSIVILDEPMNGLDPQATRDVRKIITDLATQ-GTSFLISSHLLSELEKMVDELILINQGKIIKQCTMAELNQTAQDFIVISTTNDLAARTILTEAGYTLEDPDKIKLLKENEELLGTVIQLLSAQNIHVTDVQHLTNDLESSLLEILDSVKGEEEK 2YYZ Chain:A ((2-232)) -PSIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPPKYR----EVGMVFQNYALYPHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVAS---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2YYZ.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 : 1119 -20612 -18.42 -93.27 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -18.42 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_2YYZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YYZ-query.scw PDB file : Tito_Scwrl_2YYZ.pdb: