Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIILLGPPGAGKGTQAQLICKRYNIPQISTGDMLRAAIREGTELGLKAKSVMESGGLVSDELIIGLVKERIAQPDCVNGCIFDGFPRTIPQAEA----LEKEGISIDHVIEIDVPDEEIVKRLSGRRQHPASGRVYHVVYNPPKVEGKDDETGEDLVQRPDDQEETIRKRLASYHTETEQLVGFYQGRAASGENAPTYDKLDGLRTIEDVQKDLFNILDK 4JLA Chain:A ((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 A - contact count / total energy / energy per contact / energy per residue : 906 -42754 -47.19 -215.93 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -47.19 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.486

(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: