Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAIERTLSIVKPDAVSKNHIGEIFARFEKAGLKIVATKMKHLSQADAEGFYAEHKERGFFGDLVAFMTSGPVVVSVLEGENAVLAHREILGATNPKEAAPGTIRADFAVSIDENAAHGSDSVASAEREIAYFFADNEICPRTR 1BUX Chain:C ((9-144)) ---ERTFLAVKPDGVARGLVGEIIARYEKKGFVLVGLKQLVPTKDLAESHYAEHKERPFFGGLVSFITSGPVVAMVFEGKGVVASARLMIGVTNPLASAPGSIRGDFGVDVGRNIIHGSDSVESANREIALWFKPEELL----

General information: TITO was launched using: RESULT: Template: 1BUX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 649 -66852 -103.01 -491.56 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -103.01 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_1BUX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BUX-query.scw PDB file : Tito_Scwrl_1BUX.pdb: