Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKYSEYQPRPDLLKDRIILITGAGDGIGRAAALSYALHGATVVLHGRTLNKLEVIYDEIEGLGAPQPAILPLQLSSASDRDYDFLVSTLEKQFGRLDGILHNAGILGERVELAHYPAEVWDDVMAVNLRAPFALTQALLPLLQKSENASVVFTSSGVGREARALWGAYSVSKVAIEAVSKIFAAEHTYPNIRFNCINPGATRTAMRAKAYPEEDPKTLPTPESIMPAYLYLMGEDSLTLNGQSIDAQD 3E9Q Chain:A ((24-264)) -----YQPKQDLLNDRIILVTGASDGIGREAAMTYARYGATVILLGRNEEKLRQVASHINEETGRQPQWFILDLLTCTSENCQQLAQRIVVNYPRLDGVLHNAGLLGDVCPMSEQNPQVWQDVMQINVNATFMLTQALLPLLLKSDAGSLVFTSSSVGRQGRANWGAYAASKFATEGMMQVLADEYQQ-RLRVNCINPGGTRTAMRASAFPTEDPQKLKTPADIMPLYLWLMGDDSRRKTGMTFDAQ-

General information: TITO was launched using: RESULT: Template: 3E9Q.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 : 1265 -136065 -107.56 -564.59 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -107.56 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.636

(partial model without unconserved sides chains): PDB file : Tito_3E9Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E9Q-query.scw PDB file : Tito_Scwrl_3E9Q.pdb: