Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYKELENKVAVVTGGSKGIGTAIAQRFGKEKMNVVVNYNSDKEGAEKAVKAIEEAGGKAVSVQADVSSEEGIQRLLDTALENFGTLDVWVNNAGMENQHPTHELSLEDWERVLKVNLTGVFIGTKAALNYFTENNKKGNIINMSSVHEQIPWPTFAHYAASKGGVKLFTETVAMEYAPKGIRINSIGPGAIRTPINAAKFDDPEQKELLESMIPLGRVGEPKEIAATAAWLASDESSYVTGITLFADGGMTLYPSFQGGKG 3AUS Chain:A ((1-261)) MYTDLKDKVVVITGGSTGLGRAMAVRFGQEEAKVVINYYNNEEEALDAKKEVEEAGGQAIIVQGDVTKEEDVVNLVQTAIKEFGTLDVMINNAGVENPVPSHELSLDNWNKVIDTNLTGAFLGSREAIKYFVENDIKGNVINMSSVHEMIPWPLFVHYAASKGGMKLMTETLALEYAPKGIRVNNIGPGAMNTPINAEKFADPVQRADVESMIPMGYIGKPEEVAAVAAFLASSQASYVTGITLFADGGMTKYPSFQAGRG

General information: TITO was launched using: RESULT: Template: 3AUS.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 : 1457 -84460 -57.97 -323.60 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -57.97 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_3AUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AUS-query.scw PDB file : Tito_Scwrl_3AUS.pdb: