Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MENHEIRDRVESVYGHSVSGIRDVSSN-QKQTYVLDTSD-GEVVYQRCESPQFRESFRCEVLLLEQMRDVRTP-VPKVLWRELEN------T-PEAVISSAPGREVSEFYGEQNFEQAGDVVKQAGTTLSQIHEKKFNHSGKLSTQGGLELKATSWEDILAEIFGDYIH-----QLQGSRFEDS-------ITDAVALFDNGLDLVD--EHGSCLVHYDVAPDNVFWENGNISSVIDFGRAMSGDPAFDLAYAQVQFVLAFYDGREAEQLNRLLFGSYH-TESLRGEWHKRMWFYRKLFIVEAMKSFESWTEGQGMSEEEKQESAEWNRDQLSQAAAELR 3I1A Chain:B ((9-297)) ---QQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGY---HDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQN--LT----GKQWKQLGKVLRQIHETSVPISIQQQLR--KEIYSPKWREIVRSFYNQIEFDNSDDKLTA-AFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVW----NKPHEIQYFYEGYGEINV----DKTILSYYRHERIVEDIAVYGQDLL----------------------------

General information: TITO was launched using: RESULT: Template: 3I1A.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 : 1034 2609 2.52 9.88 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : 2.52 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.268

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: