Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSLATTFDEIRDAYALGRSGPPRQVGERVWHLPT-DDG-GVAVKLYASGHHARAAKEAAVLAHFETHGDTRFHVQALKRTATGEPLWTGANAHAMLTRWETGQFRTYDTFSPAEWDALGASLGALHLSLEQLHLPEVETIRARLTAINADAVRRSLLDALD-----RARSNHSAE---NLRRYVD---LALRMLDRYYPGSINAFPA-DDPQYPIHNDYNQFNYLFTGTLPPLILDWEASIGAPREYELVRCLNHLPLEA---PHLAEAFVLAYRRTRRIDPARIAWAVDAACLQ------HALKLWIVQGWLDDPSRFASHLNGAVTMASAMVDARDRLVDFFSRCMEAGR 4PDY Chain:A ((23-346)) ------IPQAVVSKYDL-AIQQR-H-ADGNIEVWTDSKGRRYAAKRSSIA-PAHCRIMVQCLRHAQEQGFTK--FARFVTTSSNAPYVRHGDFTYYVTEWVSGQPA--NFGLPEHVAQTAYTLAQFHEATRSFRTDWK----D-DVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRD-VI-AYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERGNWDGHLAYACFLHFDAVRNIPKSEYRAVEA-ILRFPYLPWRIAHARYH--FA--ADPSQLDALQQYAVQAE----KRQAFLASLRQQV----

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 : 1381 -10012 -7.25 -33.82 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -7.25 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.315

(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: