Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MRYSTILISTFAALSLSLTINQTVHTEEIETAKWTETKWANVNRITFQDEFSSFNSGVAKLRKGQTATIKAKIDYSGDLAPILQSAVTFENVDPALSIGYDENTLTIQHKQAIFTFTVTLNQDLLKPALFTVKVSDGLPNDHHHLTPYS----QRQTIEQDSAIDSGGDLVEEPTDKP--------------------ENENKPEVPPTENPDGEQK------PEIEPGEEPDTETQPEPDNESKPEITPGEKPDVDPEEKPDVTPEPDTDSGNQTVPETNPDTDNETENP--EKPEVAPEEKPDVT----------PEPDTDSGNQ-----------------TVPETNPDTDNETE------NPEKPEVDPEEKPDVTPEPDTDARDQGIPEKINKKTIQEDGKKESKKSNLAILKINEEQLNKKSRIFDSAQS-------AETLKSSKDTTFASPETKN----KQLPKSGESQNKVILWSGIILLSIATMLSAKRFKQNRSL----------------------- 5FB4 Chain:A ((2-599)) AYVPLSGTNVRILADVPFSNDYKNTRWF----TSSSNQYNWFNSKSRVYEMSKVTF-MGFRENKPYVSVSLPIDKLYSA-------SYIMFQN-ADYGNKWFYAFVTELEFKNSAVTY-VHFEIDVLQTWMFDIKFQESFIVREHVKLWNDDGTPTINTIDEGLSYGSEYDIVSVENHKPYDDMMFLVIISKSIMHGTPGEEESRLNDINASLNGMPQPLCYYIHPFYKDGKVPKTYIGDNNANLS-PIVNMLTNIFSQKSAVNDIVNMYVTDYIGLKLDYKNGDKELKLDKDMFEQAGIADDKHGNVDTIFVKKIPDYEALEIDTGDKWGGFTKDQESKLMMYPYCVTEITDFKGNHMNLKTEYINNSKLKIQVRGSLGVSNKVAYSVQDYNADSALS----GGNRLTASLDSSLINNNPNDIAILNGNTAFDYGNGYRGVYVIKKQLKAEYRRSLSSFFHKYGYKINRVKKPNLRTRKAFNYVQTKDCFISGDINNNDLQEIRTIFDNGITLWHTDNIGNYSVENELR

General information: TITO was launched using: RESULT: Template: 5FB4.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 : 1879 195395 103.99 476.57 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 103.99 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.103

(partial model without unconserved sides chains): PDB file : Tito_5FB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FB4-query.scw PDB file : Tito_Scwrl_5FB4.pdb: