Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIFRKLGWFFRQEKKHYLIGVFSLFAVALVQLVPPKVIGIIIDEIADKNLSV----K-IIFGW-IFLLIIAAFLQYLFRYIWRTNIWGSAARLEKELRQQLFKHFTEMDNLFYQKYRTGDLMAHATNDLNAIQNVAGAGILTFADSVITGGTTIIAMILFIDWRLTLIALIPLPLLAVTSRVLGSKLHDAFRDSQEAFSSINDKTQESITGIKVIKTFGQEKEDLADFEEKIEDAIIKNKRVNFLDSLFDPFITLIIGLSYVATIILGGKYVLEGTISIGQMVSFISYIGMLVWPMFAIGRLFNVLERGNASYDRVNELLHEKTHIVEQLGAVQ-TPAKGELNVAISSFNYPKEESPALEQIKFAIQEGETLGIVGKTGAGKTTIIKLLMREYDDYQGKIQFGGRSIKEYSLNALLGSIGYVPQDHFLFSMTIRDNIRFSNPKLSEEEVEHAASLAFINNEIKELPKGYDTLVGERGVSLSGGQKQRISIARALIKNPELLILDDALSAVDAKTEEAILHNLKEIRKEKTTIISAHRLSSVMHAKQIIVVDQGKIIERGTHHELLALGGWYEQMWEKQQLEAKIEGGEA 4A82 Chain:B ((1-575)) --MIKRYLQFVKPYKYRIFATIIVGIIKFGIPMLIPLLIKYAIDGVINNHALTTDEKVHHLTIAIGIALFIFVIVRPPIEFIRQYLAQWTSNKILYDIRKKLYNHLQALSARFYANNQVGQVISRVINDVEQTKDFILTGLMNIWLDCITIIIALS-IMFFLDVKLTLAALFIFPFYILTVYVFFGRLRKLTRERSQALAEVQGFLHERVQGISVVKSFAIEDNEAKNFDKKNTNFLTRALKHTRWNAYSFAAINTVTDIGPIIVIGVGAYLAISGSITVGTLAAFVGYLELLFGPLRRLVASFTTLTQSFASMDRVFQLIDEDYDIKNGVGAQPIEIKQGRIDIDHVSFQYNDNEAPILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHNIKDFLTGSLRNQIGLVQQDNILFSDTVKENILLGRPTATDEEVVEAAKMANAHDFIMNLPQGYDTEVGERGVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSKDRTTLIVAHRLSTITHADKIVVIENGHIVETGTHRELIAKQGAYEHLYSI------------

General information: TITO was launched using: RESULT: Template: 4A82.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2394 -36184 -15.11 -63.70 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -15.11 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4A82.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A82-query.scw PDB file : Tito_Scwrl_4A82.pdb: