Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQSHFDMPEATQAVFNFFFPNGLFYQDSKGGVWEEGIIVVIELQAIDSNGDPVGSIITINQEIRANNKSQLGRTIYIDLPTAGSFRFRLSRTTATQAGKTQDTCKIKSVYGMADSSISDYGNVTVLRSRTVATDGALSIKERKLNCLVNRKLPLDGTGPLQVTRSAGQALINLALDEHIGRRTSAEVDIAQINAEIAKVKAYFGSDLMSEFNYTIDDDNLSFEEIAGMVASSAFCEPYRF-GSLTRFKFEGLQENAV--LLFKH----RNKVPLTEKRSYTFGVQKDYDGVELEYTSDVDDARV-KYIIPED-ITPKNPLKITTTGIRNEAQAKVRAWREWNKLRYKYMSCEVEVLDE----SELLIRNDRILVANNTVVDTQDGEVEAVDGLIIQTSQECTFDVGSDYFIHLQISNATVDVVSCTAGVDKYHVVLSRPPVQPLVVSEDRYVKTLYTLVRADQTEAQAFMLEELTPQTQMTNTLKASNYDARFYERDHDFI 3D37 Chain:B ((148-319)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GETVWQALTHIANSVGLHPWLEPDGTLVVGGADYSSPPVATLCWSRTDSRCNIERM--DIEWD--TDNRFSEVTFL----------LKWVYKDPTMTLHRPKTVVV---DNLAALQKQAKKQLADWRLEGFTLTITVGGHKTRDGVLWQPGLRVHVIDDEHGIDAVFFLMGR---------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3D37.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 : 412 9472 22.99 66.70 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : 22.99 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.220

(partial model without unconserved sides chains): PDB file : Tito_3D37.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3D37-query.scw PDB file : Tito_Scwrl_3D37.pdb: