Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVTMSLEALTTEALAAIAAAQDLVALDQVRVQFTGKKSQLAEQSKALGKMDPEERKVQGAAIHAVRETINNALTERQTALQQAALAQKLASETIDITLPGRGQRVGTVHPVTQVQERICQFFTKAGFTVATGP--EVEDD-------YHNFEALNIPGHHPARAMHDTFYFDANHLLRTHTSGVQIRTMETSQPPIRIVCPGRVYRCDS-DQTHSPMFHQIEGLYV-AENTSFA----------------------------------ELKGLLINLLNEFFEKDLKVRFRPSYFPFTEPSAEVDIMDERGRWLEVLGCGMVHPNVLRAAGIDPDKYKGFAFGLGVERFAMLRYGINDLRMFYQNDVRFLRQFA 5MGU Chain:A ((27-300)) ------------------------------------------------------------------------------------------------LTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVTTWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLDAFLVV--GDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQMLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEI-NFHGEWLEVLGCGVMEQQLVNSAGAQ-DRI-GWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFC

General information: TITO was launched using: RESULT: Template: 5MGU.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 : 969 -1397 -1.44 -6.10 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -1.44 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_5MGU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MGU-query.scw PDB file : Tito_Scwrl_5MGU.pdb: