Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEKETFYITTPIYYPSGKLHIGNSYTTIACDAIARYKRLMGFDVFYLTGVDEHGQKIETKAEELGVKPQEYVDKMAADVKKLWKTLDISYDKFIRTTDDYHKAAVQKIFDRLLEQGDIYLGEYEGWYSVSDEEFFTETQLAE---VYKDDEGNVIGGKAPSGHEVELVKEESYFFRMSKYADRLLEYYEEHPEFIQPESRKNEMINNFIKPGLEDLAVSRTTF----TWGVPVKSDPKHVVYVWIDALSNYITALGYGSEDE--------SLFEKYWPADVQMVGKEIVRFHTIYWPIMLMALDLPLPKKVFGHGWLLMKDGKMSKSKGNVVYPEMLVERYGLDALRYYLLRAVPFGSDGVFTPEDFVSRVNYDLANDLGNLLNRTIAMINKYCDGLVPDYASLVTPFDSELSTTAANVVGRYHDAMEKMEFNTALAEIWVLISRANKYIDETEPWVLAKDEEKKAELNSVMIHLAESLRIAAILLQPIMTETPEKIFNQLGLDS-ET-MNLEGLHFGEFPSGTKVV--AKGTPIFPRLDMEEEVAFIQEKMSEGTQTNEDTVKWDPEETELVSTKEKQIKFDVFEKVELKVAEVINCQKVEGADKLLQFRLDAGDSQDRQILSGIAEFYPDPSELIGKKVVIVANLKPRKMRGQISQGMILSAEAPDGSLQVIEAPKSMPNGSEIA 3KFL Chain:A ((24-553)) --KQKVFFATTPIYYVNASPHIGHVYSTLIVDVLGRYHRVKGEEVFVMTGTDEHGQKVAEAAAKQGVSPMDFTTSVSSEFKQCFQEMNYDMNYFIRTTNPTHEKLVQDIWKKLAAKGDIYLGKYEGWYSVSDESFLTAQNVADGVDRDGKPC----KVSLESGHVVTWVEEENYMFRLSAFRERLLKYFHDHPNCIVPEFRRREVI-KTVEKGLFDLSISRK-RESVMNWSIPVPGDERHCIYVWLDALFNYYTGALTRVATDGTETLDEDHHALNRWPADVHVVGKDILKFHAIYWPAFLMSAELPLPERLVSHGWWTKDHKKISKSLGNAFDPVEKAKEFGIDALKYFLMRESNFQDDGDYSDKNMVARLNGELADTLGNLVSRCVAPKI-NVNGMWPEPA-EYSESDKTLIASLNNLAGTVDHYYCLPDIQHALIAIFDVLRSLNAYVTENAPWKLVKMD--TARLGTVLYVTMEGLRICTMFLQPVMPQKAKEIMDALGVPEAARVGMENYL-FGIVKPGTKIAGLAEGQVVFQKVTLP-------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KFL.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 : 2715 -14615 -5.38 -28.60 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -5.38 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.533

(partial model without unconserved sides chains): PDB file : Tito_3KFL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KFL-query.scw PDB file : Tito_Scwrl_3KFL.pdb: