Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEQWLEHLPLKDIKEISPVSGGDVNEAYRVETDTDTFFLLVQRGRK-ESFYAAEIAGLNEFERA--GITAPRVIASGEVNGDAYLVMTYLEE-GASG-------------SQRQLGQLVAQLHSQQQEEGKFGFSLPYEGGDISFDNHWQDDWCTIFVDKRLDHLKDELLNRGLWDANDIKVYDKVRRQIVAELEKHQSKPSLLHGDLWGGNYMFLQDGRPALFDPA-PLYGDREFDIGITTVFG------GFTSEFYDAYNKHYPLAKGASYRLEFYRLYLLMVHLLKFGEMYRDSVAHSMDKILQDTTS 4DCA Chain:A ((37-288)) -----------IKINELRYLSSGDDSDTFLC---NEQYVVKVPKRDSVRISQKRELELYRFLENCKLSYQIPAVVYQS----DRFNIMKYIKGERITYEQYHKLSEKEKDALAYDEATFLKELHSIEID--CSVSLF----SDAL-V----NKKDKFLQD--KKLLISILEKEQLLTDEMLEHIETIYENILSNAVLFKYTPCLVHNDFSANNMIFRNNRLFGVIDFGDFNVGDPDNDFLCLLDCSTDDFGKEFGRKVLKYYQHKAPEV--AERKAELNDVYWSI---------------------------

General information: TITO was launched using: RESULT: Template: 4DCA.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 : 885 -7331 -8.28 -32.15 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -8.28 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.317

(partial model without unconserved sides chains): PDB file : Tito_4DCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dca-query.scw PDB file : Tito_Scwrl_4DCA.pdb: