Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVTMSLEALTTEALAAIAAAQDLVALDQVRVQFTGKKSQLAEQSKALGKMDPEERKVQGAAIHAVRETINNALTERQTALQQAALAQKLASETIDITLPGRGQRVGTVHPVTQVQERICQFFTKAGFTVATGPEVEDDYHNFEALNIPGHHPARAMHDTFYFDANHLLRTHTSGVQIRTMETSQPPIRIVCPGRVYRCDS-DQTHSPMFHQIEGLYVAENTSF-----------------------------------AELKGLLINLLNEFFEKDLKVRFRPSYFPFTEPSAEVDIMDERGRWLEVLGCGMVHPNVLRAAGIDPDKYKGFAFGLGVERFAMLRYGINDLRMFYQNDVRFLRQFA----------------------------------------------------------------------------------------------------------- 3CMQ Chain:A ((11-415)) --------------------PGSVVELLGKSYPQDDHSNL---TRKVLTRVGRNLHNQQHHPLWLIKERVKEHFYKQYVGRFGTPLFSVYDNLSPVVT----------------------------------------TWQNFDSLLIPADHPSRKKGDNYYLNRTHMLRAHTSAHQWDLLHAGLD--AFLVVGDVYRRDQIDSQHYPIFHQLEAVRLFSKHELFAGIKDGESLQLFEQSSRSAHKQETHTMEAVKLVEFDLKQTLTRLMAHLFGDELEIRWVDCYFPFTHPSFEMEINFH-GEWLEVLGCGVMEQQLVNSAG--AQDRIGWAFGLGLERLAMILYDIPDIRLFWCEDERFLKQFCVSNINQKVKFQPLSKYPAVINDISFWLPSENYAENDFYDLVRTIGGDLVEKVDLIDKFVHPKTHKTSHCYRITYRHMERTLSQREVRHIHQALQEAAVQLLGVEGRF

General information: TITO was launched using: RESULT: Template: 3CMQ.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 : 1167 -54441 -46.65 -207.79 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -46.65 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_3CMQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CMQ-query.scw PDB file : Tito_Scwrl_3CMQ.pdb: