Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALT-GR--YRLVVKIALEEDLIDEDHGPCGEARRLAWLAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVPADQVASE------QRLAACDAVADVARAVHGIDHRGCPFDRR----LRVTIPRAKEACLFAE-IRSRDPMAKLTSLIAKALWV---GREEPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVADRYTDLAAATRGWRA-G-GLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDTGQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFDAAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC 4GKH Chain:A ((19-271)) ----------NLDADLYGYRWARDN--VGQSGATIYRLYGKPNAPELFLKHGKGS----VANDVTDEMVRLNWLTA-FMPLPTIKHFIRTPDDAWLLTT----AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNG-WPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEG--KLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQKYGIDNPDMNKLQFHLMLDEF-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 1013 -25958 -25.62 -110.93 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -25.62 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.197

(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: