Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MCGMTSLVDTALRLTYPDYRWRRLEAARPILGVRTYALTGRYR---LVVKI---ALEEDLIDEDHGPCGEARRLAWLAGHGIPVPEVVDTGVMGDDEYLVLRLPDDAVP---ADQVASEQRLAA---CDAVADVARAVHGIDHRGCPF--DRRLRVTIPRAK------EACLFAEIRSRDPMAKLTSLIAKALWVGREEPVVCHGDLRPDSVLIDARTRRVAAVLDVARLGVADRYTDLAAATR--GWRAGGLDKRVWWRYGEIPADADRVRLYRLLAEFCLPRPGTGRVEPRQDGGDVRRCGFVRQLGHGVPGDPTVFHQRRGLVVLETFTRQVRGGGVDTGQEIGFGGFEHLALPAHRHRHVDGTRRPLARGQAGFLGQFAPGGLRGRLTGFDAAAGRLPQQVGVDGVTPAQHQDPVVGVQAQHAGTLTIDFGHDAQVMARRRGGALAWAPGCPCHRVRCGSC 4GKI Chain:A ((27-271)) ------------------YRWARDNVGQS--GATIYRLYGKPNAPELFLKHGKGSVANDVTDE-------MVRLNWLTAFM-PLPTIKHFIRTPDDAWLLTT----AIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFS-PDSVVTHGDFSLDNLIFDEG--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 A - contact count / total energy / energy per contact / energy per residue : 915 14037 15.34 62.95 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 15.34 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.188

(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: