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 4GKI Chain:C ((16-271)) -------LNSNLDADLYGYRWARDN--VGQSGATIYRLYGKPNAPELFLKHGKGS----VANDVTDEMVRLNWLTA-FMPLPTIKHFIRTPDDAWLLTT----AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNG-WPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEG--KLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQKYGIDNPDMNKLQFHLMLDEF-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

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 : 983 -23774 -24.19 -100.31 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.64 3D Compatibility (PKB) : -24.19 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.193

(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: