Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREKMRFPTLVFDIETLTDLKAGAHLYHLDLPEADVEQALTKIRRQESGMDFQRLPLHEIVCISGLWIDESGFRLFSFSREHYSEAEILQKFLSIFDKRHP-TLVSWNGSQFDLPVILFRAMYHGLSAPGLFDQGELDSQKRFN---NYQNRY---HHRHIDLMDVMAMF-NGRNFQKLDDVACILGLPGKRGESGYHVPEYVRTE-QWLKLTSYCEGDVLNTWFIYLRWLLLKGQMNVDEHNHWISSSIEYLQTMPQQADFLEVWQRTSKHTEFTSHYFNPLNF 4QCL Chain:A ((277-466)) ---------------------------------------------------------------------------------AATERTLLGFFLAKVHKIDPDIIVGHNIYGFELEVLLQRINVCKAPHWSKI--GR-LKRSNMPKLG-FGERNATCGRMICDVEISAKELIRCKS-YHLSELVQQILKTERVVIPMENIQNMYSESSQLLYLLEHTWKDAKFILQIMCELNVLP---------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QCL.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 : 447 -11635 -26.03 -83.70 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -26.03 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.297

(partial model without unconserved sides chains): PDB file : Tito_4QCL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QCL-query.scw PDB file : Tito_Scwrl_4QCL.pdb: