Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCPLMAENHEVIEEGNSSELPLSAEDAKKLTELAENVLQGWDVQAEKIDVIQGNQMALVWKVHTDSGAVCLKRIHRPEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQ----PPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKE-DPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYELYDVIREKYVRKSALPKEELESAFEYERIKANALRQLI 4PDY Chain:A ((97-313)) -------------------------------------------------------------------------------------------------------------YVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK-----DDVFGL------FQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLE-RGNWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRIAHARY-----------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 850 3064 3.60 14.80 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 3.60 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.495

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PDY-query.scw PDB file : Tito_Scwrl_4PDY.pdb: