Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MHVITTQVLFIF-CFLLL-IHSIETLAYATRLSGA-RVGFIASALSLFNVMVIVSRMSNMVQQPFTGHLIDDAGKNALAIVGEQF-----RFLIFGSTVGTILGIILLPSFV---ALFSRAIIHLAGGGGSVFQV------FRKGF-SKQGFKNALSYLRLPSISYVKG-FHMRLIPKRLFVINMLITSIYTI---GVLSALYAGLLAPERSTTAVMASGLINGIATMLLA---------IF-VDPKVSVLADDVAKGKRSYIYLKWT-SVTMVTSRVAGTLLAQLMFIPGAYYI-AWLTKWF--------------------- 4PE6 Chain:A ((18-339)) KPFIALSNGFIGNGWRQTMIAKFEEAAKQAQADGLIGKYKVVNAPGNNSATEQVAQIKSLLLQKPDALLINPASPTALQPVIQQACDAGVKVVVFDSAIDAPCAYILQNSFVDWATYAAKPVLESIGGKGNVIVVRGVVGSQPEAEMYETTKKILAEYPQVKTVATVTGMCDGATAQKAVLGVLPSVSTVDAVIGCGDGYGVAQAFATAGKPIPAVTFE--TNGRALSYWKDNKIDNGSVAVMSDPAQSVAALWAALDLLEGRDLPKQMTFPIVLIEEKDRDTWASVLKPDEYAAWPWTRELFRQQVEAIKTGGEPVQPPIPST

General information: TITO was launched using: RESULT: Template: 4PE6.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 : 1414 -190715 -134.88 -714.29 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -134.88 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.213

(partial model without unconserved sides chains): PDB file : Tito_4PE6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PE6-query.scw PDB file : Tito_Scwrl_4PE6.pdb: