Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MGQLTDASVVLRFGYQAIRRAGLPTEEILTKAGV-----------------------ALNQVDTNARTPLSAQYAFWTAAQEVSKDPDIGLHLGEHLPLYRGQVIEHLFNSSETFGEGLKRALAYQRLISDAFDAKLVVEDGRCYLTNGEQVGADNLVNRHFSECAISGVLRFFK-----FITEGQFHPIFIDFNFSEGASEDEYFRVYG---------------CPVSLGQKETRLYFDPAILDFQLWQAEPELLQLHEQLAIEKLQELA----RYDLVGEVRRAIGSTLESGETTLETVAAQLNITPRRLRTQLSEA-NTSFQQILSDYRCRLAKKLLANTNESVERIVYLTGFSEPSTFYRAFKRWTNETPVEYRKRKQHR 4FE7 Chain:A ((21-409)) MFTKRHRITLLFNANKAYDRQVVEGVGEYLQASQSEWDIFIEEFRWLGDGVIADFDDKQIEQALADVDVPIVGVGGSYHLAESYPPVHYIATDNYALVESAFLHLKEKGVNRFAFYGLPESSGKRWATEREYAFRQLVAEEKYRGVVYQGLETAPEN---WQHAQNRLADWLQTLPPQTGIIAVTDARARHILQVCEHLHIPVPEKLCVIGIDNEELTRYLSRVALSSVAQGARQMGYQAAKLLHRLLDKEEMPLQRILVPPVRVIERRSTDYRSLTDPAVIQAMHYIRNHACKG-IKVDQVLDAVGISRSNLEKRFKEEVGETIHAMIHAEKLEKARSLLISTTLSINEISQMCGYPSLQYFYSVFKKAYDTTPKEYRDVNSE-

General information: TITO was launched using: RESULT: Template: 4FE7.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 : 1794 16185 9.02 48.90 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 9.02 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.322

(partial model without unconserved sides chains): PDB file : Tito_4FE7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FE7-query.scw PDB file : Tito_Scwrl_4FE7.pdb: