Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIDSWLNDRLDIAKEAGVHRNLRSMNGAPVPERNIDGENQTVWSSNNYLGLASDRRLIDAAQTALQQFGTGSSGSRLTTGNSVWHEKLEKKIASFKRTEAALLFSSGYLANVGVLSSLPEKEDVILSDQLNHASIIDGCRLSKADTVVYRHIDMNDLENKLNETQRYQRRFIVTDGVFSMDGTIVPLDQIISLAKRYHAFVVVDDAHATGVLGDSGRGTSEYFGVYPDI--VIGTLSKAVGTEGGFAAGSAVFIDFLLNHARTFIFQTAIPPASCAAAHEAFNI------------------RTSLKNMGYVVKGDHTPIIPVVIGDAHKTVIFAEKLQGKGIYAPAIRPPTVAPGESRIRITITSDHSMGDIDDLLKTFHSIGKELHII 3A2B Chain:A ((19-392)) --------------KAKGLYAYFRPIQSKQDTEVKIDGRRVLMFGSNSYLGLTTDTRIIKAAQDALEKYGTGCAGSRFLNGTLDIHVELEEKLSAYVGKEAAILFSTGFQSNLGPLSCLMGRNDYILLDERDHASIIDGSRLSFSKVIKYGHNNMEDLRAKLSRLPEDSAKLICTDGIFSMEGDIVNLPELTSIANEFDAAVMVDDAHSLGVIGHKGAGTASHFGLNDDVDLIMGTFSKSLASLGGFVAGDADVIDFLKHNARSVMFSASMTPASVASTLKALEIIQNEPEHIEKLWKNTDYAKAQLLDHGFDLGATESPILPIFIRSNEKTFWVTKMLQDDGVFVNPVVSPAVPAEESLIRFSLMATHTYDQIDEAIEKMVKVFKQA---

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 : 2074 -83068 -40.05 -234.66 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -40.05 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.474

(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: