Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQRLVLAGNGMAGIRCIEEVLKLNRHMFEIVIFGSEPHPNYNRILLSSVLQGEASLDDITL-NSKDWYDKHGITLYTGETVIQIDTDQQQVITDRK-RTLSYDKLIVATGSSPHILPIPGADKKGVYGFRTIEDCQALMNMAQ--HFQKAAVIGAGLLGLEAAVGLQHLGMDVSVIHHSAGIMQKQLDQTAARLLQTELEQKGLTFLLEKDTVSISGATKADRIHFKDGSSLKADLIVMAAGVKPNIELAVSAGIKV--NRGIIVNDFMQTSEPNIYAVGECAEHNGTV------YGLVAPLYEQGKALASHICGVPCEEYQGSAPSAALKIAGIDVWSAGKIQEDERTT-----SIKI--------YDEQAGVYKKALFV--DDKLAGVILFGDTRDK--QRLLDSLLKQRDISIAKKQIIEPETSGPLFESMPSSETICQCNTVTKGAIEDAVHTNSLTTVEEVKHCTKATGSCGGCKPLVEDLLRYMTNSEYTKPASTPSFCSCTDFTEDDIIAELQRRPFTNPAEVMNQLDWKTKNGCSTCVPAIQYYLEMLYPGFVQPEPATEETCILIPQMYGGRTNAEQLRTIANIIEAYSIPDVSITHGQRLKLSGIKPADLPNMKKDLKMPVYTNEHRHALQSIKACTCGQNRSIQQLAAQIERQLEMLPLPAPISISLSCETDCTEAALQDVGAIRTQAGWDIHIGGVRGTHARSGALFCVTENEDSTAGMIKGLIQYYRETAHYLEGVHQWIDRLGIVHIREVLFEEDLRAQLLESLQTDLSLIQNPTVETGAYKKG 4FX9 Chain:A ((5-420)) -MKKKVVIIGGGAAGMSAASRVKRLKP-EWDVKVFEATEWVSHAPCGIPYVVEGLSTPDKLMYYPPEVFIKKRGIDLHLNAEVIEVDTGYVRVR--GGEKSYEWDYLVFANGASPQVPAIEGVNLKGVFTADLPPDALAIREYMEKYKVENVVIIGGGYIGIEMAEAFAAQGKNVTMIVRGERVLRRSFDKEVTDILEEKLKK-HVNLRLQEITMKIEGEERVEKV-VTDAGEYKAELVILATGIKPNIELAKQLGVRIGETGAIWTNEKMQTSVENVYAAGDVAETRHVITGRRVWVPLAPAGNKMGYVAGSNIAGK-ELHFPGVLGTAVTKFMDVEIGKTGLTEMEALKEGYDVRTAFIKASTRPHYYPGGREIWLKGVVDNETNRLLGVQVVGSDILPRIDTAAAMLMAGFTTKDAFF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FX9.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 : 2245 -245134 -109.19 -636.71 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -109.19 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_4FX9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FX9-query.scw PDB file : Tito_Scwrl_4FX9.pdb: