Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIILLGPPGAGKGTQAQLICKRYNIPQISTGDMLRAAIREGTELGLKAKSVMESGGLVSDELIIGLVKERIAQPDCVNGCIFDGFPRTIPQAEA----LEKEGISIDHVIEIDVPDEEIVKRLSGRRQHPASGRVYHVVYNPPKVEGKDDETGEDLVQRPDDQEETIRKRLASYHTETEQLVGFYQGRAASGENAPTYDKLDGLRTIEDVQKDLFNILDK 4JKY Chain:B ((1-202)) MILVFLGPPGAGKGTQAKRLAKEKGFVHISTGDILREAVQKGTPLGKKAKEYMERGELVPDDLIIALIEEVFPKHGNV---IFDGFPRTVKQAEALDEMLEKKGLKVDHVLLFEVPDEVVIERLSGRRINPETGEVYHVKYNPPP-------PGVKVIQREDDKPEVIKKRLEVYREQTAPLIEYYKKKG-------ILRIIDASKPVEEVYRQVLEVI--

General information: TITO was launched using: RESULT: Template: 4JKY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 889 -37269 -41.92 -188.22 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -41.92 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4JKY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JKY-query.scw PDB file : Tito_Scwrl_4JKY.pdb: