Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSFFDTPIPEDQVFSNAPKCRTRREATRHYLDHVHYTEPQPDVPGEILHHIVHPFSMGSITDRQITLQD--NGTICKSTRIG-RSNLGAEKHHLELVAMKTSVPVPRVHQYYVSEEFEHLVMDNMPGTTLQQAWPTLSHLERKSIADQVVSLVQRLRELRSTHINAALLFRRPLRDGLRDATDLSMERINPYLS-----DEHIAAYINKRSAIM-EGQLNVFTHGDLDWGNILIADKQVCGLIDLESSGFFPPYWEWIMVKRLSHSLPKDSWFRLLEERLGAEDHSNWQGMWEVEQLIMALDEFSRWDLTPAGREMNRHRGWTEVVRILGPGVGDPPVVLYEMAAEHPWWLVSAADGEVKFTSRREWPTLMKSKTAV 4GKH Chain:A ((42-238)) ---------------------------------------------------------------YRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWLTA--FMPLPTIKHFIRTPDDAWLLTTAIPGKTAFQVLEEYP-DSGENIVDALAVFLRRLHSIPVCNCPFNS-DRVFRLAQAQ--SRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLG----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GKH.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 : 701 -47215 -67.35 -251.14 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -67.35 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.153

(partial model without unconserved sides chains): PDB file : Tito_4GKH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gkh-query.scw PDB file : Tito_Scwrl_4GKH.pdb: