Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRIARIAVATYMGLAVNMGLAVNAVQAATTFLNVSYDPTREFYQEYNQAFGKFWKQRTGQDVDFKQSHGGSGKQARAVA---TGLEADVVTLALANDIDEIVKAGFIQP--NW-QKE-----F----PNNSAPYTSTVVFLVRKGNPKNIRDWNDLTKPGV--EIITPNPKTGGAPRWIYLSAWGYALKQPGGNDAKAKELVKKLYHNVNV-LDLGARGSLTTFAERGIGDVLLSWENEALLATK--------GLDKDKYEIVYPS--IS-ILAEPSVAIVDKTVDKDGNRTLAKGYLNFLYSPLGQELAAK-HYFRPRNPQVAAK-YAAQF-PK-IKLF---TINDVFGGWAKAQKTHFANGAIFDQIYDGKQ 2OWT Chain:A ((5-319)) ----------------------------SDEVSLYTTREP-KLIQPLLDAFAKD----SGIKVNTVFV--KD-GLLERVRAEGDKSPADVLMTVDIGNLIDLVNGGVTQKIQSQTLDSVVPANLRGAEGSWYALSLRDRVLYVEKDLKLDSFRYGDLADPKWKGKVCIRSGQ-HPYNT-ALV---AAMIAHDG--AEATEKWLRGVKANLARKAAGGDR-DVARDILGGICDIGLANAYYVGHMKNAEPGTDARKWG-DAIKVVRPTFAGGTHVNISGAAVAAHA----PNKANAVKLLEYLVSEPAQTLYAQANYEYPVRAGVKLDAVVASFGPLKVDTLPVAEIAKYRKQASELVDKV---------------

General information: TITO was launched using: RESULT: Template: 2OWT.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 : 1481 -5188 -3.50 -18.86 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -3.50 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_2OWT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OWT-query.scw PDB file : Tito_Scwrl_2OWT.pdb: