Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSRYRKVDEDFFEELEEVLISADVGFTTVMELIDELKKEVKRRNIQDPKEVQSVISEKLVEIYNSGDEQISEL-----NIQ---DGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVIKQTAGSDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD 2IYL Chain:D ((23-284)) --------------------------------------------------------------DVGLSATEEILQEVRASGR-------KDLKEAVKEKLVGMLEP-D---ATLRKLGFNPQKPVEPKGRVVLVVGVNGVGKTTTIAKLGRYYQNLGKKVMFCAGDT------TQLSEWGKRLSIPVIQGPEGTDPAALAYDAVQAMKARGYDLLFVDTAGRLHTKHNLMEELKKVKRAIAKADPEEPKEVWLVLDAVTGQ--LEQAKKFHEAVGLTGVIVTKLDGTAKGGVLIPIVRTLKVPIKFVGVGEGPDDLQPFDPEAFVEALLED-------

General information: TITO was launched using: RESULT: Template: 2IYL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1226 -148504 -121.13 -616.20 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : -121.13 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_2IYL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IYL-query.scw PDB file : Tito_Scwrl_2IYL.pdb: