Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSARHSRLIILGSGPAGYSAAVYAARANLKPTLIAGLQLGGQLTTTTEVDNWPGDPEGLTGPVLMDRMQAHAERFGTELVYDHINEVDLNVRPFVLKGDMDEYTCDALIIATGATAQYLGLESEQKFMGQGVSACATCDGFFYKNQNVMVVGGGNTAVEEALYLSNIAEHVTLVHRRDSLRSEKILQDHLFAKEKESKISIVWNHEVEEVLGDNTGVTGVRLKSTKD-DSKQEVQVQGLFIAIGHKPNTSMFEGQLNLRDGYIQVQSGTSGNATATSVAGVFAAGDVADSIYRQAITSAGSGCMAALDAEKYLDNL 1TDE Chain:A ((2-316)) -TTKHSKLLILGSGPAGYTAAVYAARANLQPVLITGMEKGGQLTTTTEVENWPGDPNDLTGPLLMERMHEHATKFETEIIFDHINKVDLQNRPFRLNGDNGEYTCDALIIATGASARYLGLPSEEAFKGRGVSACATCDGFFYRNQKVAVIGGGNTAVEEALYLSNIASEVHLIHRRDGFRAEKILIKRLMDKVENGNIILHTNRTLEEVTGDQMGVTGVRLRDTQNSDNIESLDVAGLFVAIGHSPNTAIFEGQLELENGYIKVQSGIHGNATQTSIPGVFAAGDVMDHIYRQAITSAGTGCMAALDAERYLDGL

General information: TITO was launched using: RESULT: Template: 1TDE.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 : 1869 -159768 -85.48 -508.82 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.92 3D Compatibility (PKB) : -85.48 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.92 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_1TDE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TDE-query.scw PDB file : Tito_Scwrl_1TDE.pdb: