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

General information: TITO was launched using: RESULT: Template: 4JLA.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 : 918 -36762 -40.05 -185.66 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -40.05 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_4JLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JLA-query.scw PDB file : Tito_Scwrl_4JLA.pdb: