Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKEAVTVSNVTKHFQRKTAVNNISFSIEKGEIAAILGPNGAGKTTVVSMILGLLKPSEGEIK----LFNRVPDDQQVREKIGVMLQEVSVMPGLKVDEILELFRSYYPNPLSMKEL-----------VSLTALTKEDLKTRAEKLSGGQKRRLSFALALAGNPELLILDEPTVGMDTSSRHRFWQTIHGLSDQ-GKTIIFSTHYLQEADDAAQRILFFTEGQLVADGSPMQIRSRIQKQSVSFTLHSSESLERLSCHPEVERVIHEHERTIIQTSNTDKVLALIFQENIHARDIRIEQATLDEAFRQLADGNREAM 2YYZ Chain:A ((3-221)) ----SIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIP--PKYRE-VGMVFQNYALYPHMTVFENIAF-------PLRARRISKDEVEKRVVEIARKLLIDNLLDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEV------------------------------------------------------------------------------------

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 : 979 -65581 -66.99 -323.06 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -66.99 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.430

(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: