Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSRYRKVDEDFFEELEEVLISADVGFTTVMELIDELKKEVKRRNIQDPKEVQSVISEKLVEIYNSGDEQISEL-----NIQ-----DGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVIKQTAGSDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD 1RJ9 Chain:A ((43-303)) --------------------------------------------------------------DVGLSATEEILQEVRASGR-------KDLKEAVKEKLVGMLEP-DERRATLRKLGFNPQKPKPVEPKGRVVLVVGVNGVGKTTTIAKLGRYYQNLGKKVMFCAGDTFRAAGGTQLSEWGKRLSIPVIQGPEGTDSAALAYDAVQAMKARGYDLLFVDTAGRLHTKHNLMEELKKVKRAIAKADPEEPKEVWLVLDAVTGQNGLEQAKKFHEAVGLTGVIVTKLDGTAKGGVLIPIVRTLKVPIKFVGVGEGPDDLQPFDPEAFVEALLE--------

General information: TITO was launched using: RESULT: Template: 1RJ9.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 : 1357 -149599 -110.24 -596.01 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -110.24 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.585

(partial model without unconserved sides chains): PDB file : Tito_1RJ9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RJ9-query.scw PDB file : Tito_Scwrl_1RJ9.pdb: