Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLNHFATELDELKQQGNFRQFT--QNVQHGRFITIQNKTMLNLASNDYLGLAADINLRQEFLDSYPLERSYFSSSSSRLLTGNFDEYEQLENSLSQAFSGRAALLFNSGYHMNIGILPAVADSKTLILADKLVHASMIDGIRLSGAQYVRYRHNDLQHLEQLLQKYHDDDQIERIIVVTESIFSMDGDETDLTALVQLKKRFAKTMLYVDEAHSIGVRGQQGLGCAEQYNVIQEIDFLVGTLGKALAAVGGYIICDQIIKDYLINKMRPLIFSTAQPPIVMAWANFIFKKVLMAQSQREHLKNISQYLQQAVVQKGYVS-PSTSHIIPVIVGESQATIDKAKQVQESGFYAMPVRPPTVPKNSSRLRISLTSMVEQHELEALVSFL 3A2B Chain:A ((13-385)) --------KIVEELKAKGLYAYFRPIQSKQ-DTEVKIDGRRVLMFGSNSYLGLTTDTRIIKAAQD--ALEKYGTGCAGSRFLNGTLDIHVELEEKLSAYVGKEAAILFSTGFQSNLGPLSCLMGRNDYILLDERDHASIIDGSRLSFSKVIKYGHNNMEDLRAKLSRLP---EDSAKLICTDGIFSMEGDIVNLPELTSIANEFD-AAVMVDDAHSLGVIGHKGAGTASHFGLNDDVDLIMGTFSKSLASLGGFVAGDADVIDFLKHNARSVMFSASMTPASVASTLKALEIIQNEPEHIEKLWKNTDYAKAQLLDHGFDLGATESPILPIFIRSNEKTFWVTKMLQDDGVFVNPVVSPAVPAEESLIRFSLMATHTYDQIDEAIEKM

General information: TITO was launched using: RESULT: Template: 3A2B.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 : 2186 8998 4.12 24.32 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 4.12 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_3A2B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A2B-query.scw PDB file : Tito_Scwrl_3A2B.pdb: