Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSKELTMYLEKELDQLKEKGLYNTIDILESENGACIIVDGKKMINLASNNYLGFANREELKKACIEATETYGVGAGAVRTINGSLKIHQQLEEKIAEFKGTEAAIAFQSGFNCNMGAISAVMTKEDAILSDELNHASIIDGCRLSGAKIIRIKHQDMKDLEKKAKEAIESKKYKKIMYITDGVFSMDGDIARLPEIIPIVEKYGLITYVDDAHGSGVTGK-GAGTVKHFGLSDKIDMQMGTLSKAIGVVGGYVAGSKTLIDWLKARSRPFLFSTSLTPGAAAAALASITLMQEHPELVEKVWENANYFKEELKKVGYNIGMSETPITPVILGDEKVTQTFSKKLIEHGIYAKPIVYPTVPLGTGRIRNMPTAEHTREMLDEAVAVYQKIGKEMEII 3A2B Chain:A ((15-392)) -------------VEELKAKGLYAYFRPIQSKQDTEVKIDGRRVLMFGSNSYLGLTTDTRIIKAAQDALEKYGTGCAGSRFLNGTLDIHVELEEKLSAYVGKEAAILFSTGFQSNLGPLSCLMGRNDYILLDERDHASIIDGSRLSFSKVIKYGHNNMEDLRAKLSRLP---EDSAKLICTDGIFSMEGDIVNLPELTSIANEFDAAVMVDDAHSLGVIGHKGAGTASHFGLNDDVDLIMGTFSKSLASLGGFVAGDADVIDFLKHNARSVMFSASMTPASVASTLKALEIIQNEPEHIEKLWKNTDYAKAQLLDHGFDLGATESPILPIFIRSNEKTFWVTKMLQDDGVFVNPVVSPAVPAEESLIRFSLMATHTYDQIDEAIEKMVKVFKQA---

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 : 2243 -112712 -50.25 -298.97 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -50.25 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.550

(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: