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

General information: TITO was launched using: RESULT: Template: 4GKI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 700 -44298 -63.28 -235.63 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain C : 0.61 3D Compatibility (PKB) : -63.28 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.157

(partial model without unconserved sides chains): PDB file : Tito_4GKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gki-query.scw PDB file : Tito_Scwrl_4GKI.pdb: