Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILKTFLQKNKGLALLTFVMICLQIAGTLGVPKLVAKLIDTGIASGEA-------SVIKKIGVEMLLVAFLGTIAAVASSYFSALASARFGFQTREKYFRKFQQLSMKDISRFSSGSLLTRMTNDVDNVQQMIVLFCQMILPAPVICVFTILMMFRYSLLLTWVTLISVVFYVWIVYRLMKRGAPLSLSIQPKMDRITITLREFFTGINMIRAFDNQSYEEKRTNKSFADYANQMIKVNRIFAWVTPIAFLLMGIVYASILWFGGNLVAEGALQIGVVTAVVEYSMLTLAYLMIAAMVLVIIPKSFASLRRIEEILQAEIEIEEETIKTVAEPTFDQTNAAAFEHVTFKYTEISDPVLEDIDFTIPKGKTTAIVGGTGSGKSSLAKLLLRLSDPTIGKVTLGGIPLTQMTQEQIRSHISYVPQKAFLFSGTILSNLQMGNEYASTEELSKAIKIAQLEELVDTLPDGLDSFVAQGGSNYSGGQKQRICIARALIKPAEIYVFDDSFSALDYKTDAALRAALHKHMSEKTLVIVAQRLSTIQQADNIIVLDEGKIVGQGTHEELLSNCQTYQEFAKSQGI 4A82 Chain:B ((4-577)) --RYLQFVKPYKYRIFATIIVGIIKFGIPMLIPLLIKYAIDGVINNHALTTDEKVHHLTIAIGIALFIFVIVRPPIEFIRQYLAQWTSNKILYDIRKKLYNHLQALSARFYANNQVGQVISRVINDVEQTKDFILTGLMNIWLDCITIIIALSIMFFLDVKLTLAALFIFPFYILTVYVFFGRLRKLTRERSQALAEVQGFLHERVQGISVVKSFAIEDNEAKNFDKKNTNFLTRALKHTRWNAYSFAAINTVTDIGPIIVIGVGAYLAISGSITVGTLAAFVGYLELLFGPLRRLVASFTTLTQSFASMDRVFQLIDEDYDIKNGVGA---QPIEIKQGRIDIDHVSFQYNDNEAPILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILIDGHNIKDFLTGSLRNQIGLVQQDNILFSDTVKENILLGRPTATDEEVVEAAKMANAHDFIMNLPQGYDTEVGERGVKLSGGQKQRLSIARIFLNNPPILILDEATSALDLESESIIQEALDVLSKDRTTLIVAHRLSTITHADKIVVIENGHIVETGTHRELIAKQGAYEHLYSIQN-

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 : 2403 -116866 -48.63 -206.11 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -48.63 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.366

(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: