Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQRLVLAGNGMAGIRCIEEVLKLNRHMFEIVIFGSEPHPNYNRILLSSVLQGEASLD--DITLNSKDWYDKHGITLYTGETVIQIDTDQQQVITDR-----KRTLSYDKLIVATGSSPHILPIPGADKKGVYGFRTIEDCQALMNMA--QHFQKAAVIGAGLLGLEAAVGLQHLGMDVSVIHHSAGIMQKQLDQTAARLLQTELEQKGLTFLLEKDTVSISGATKADRIHFKDGSSLKADLIVMAAGVKPNIELAVSAGIKV--NRGIIVNDFMQTSEPNIYAVGECAEHNGTV------YGLVAPLYEQGKALASHICGVPCEEYQGSAPSAALKIAGIDVWSAGKIQEDERT---TSI--KI------YDEQAGVYKKALFV--DDKLAGVILFGDT-R--DKQRLLDSLLKQRDISIAKKQIIEPETSGPLFESMPSSETICQCNTVTKGAIEDAVHTNSLTTVEEVKHCTKATGSCGGCKPLVEDLLRYMTNSEYTKPASTPSFCSCTDFTEDDIIAELQRRPFTNPAEVMNQLDWKTKNGCSTCVPAIQYYLEMLYPGFVQPEPATEETCILIPQMYGGRTNAEQLRTIANIIEAYSIPDVSITHGQRLKLSGIKPADLPNMKKDLKMPVYTNEHRHALQSIKACTCGQNRSIQQLAAQIERQLEMLPLPAPISISLSCETDCTEAALQDVGAIRTQAGWDIHIGGVRGTHARSGALFCVTENEDSTAGMIKGLIQYYRETAHYLEGVHQWIDRLGIVHIREVLFEEDLRAQLLESLQTDLSLIQNPTVETGAYKKG 4EQS Chain:A ((1-413)) ---PKIVVVGAVAGGATCASQIRRLDK-ESDIIIFEKDRDMSFANCALPYVIGEVVEDRRYALAYTPEKFYDRKQITVKTYHEVIAINDERQTVSVLNRKTNEQFEESYDKLILSPGASANSLGFESD---ITFTLRNLEDTDAIDQFIKANQVDKVLVVGAGYVSLEVLENLYERGLHPTLIHRSDKINK-LMDADMNQPILDELDKREIPYRLNEEINAINGN----EITFKSGKVEHYDMIIEGVGTHPNSKFIESSNIKLDRKGFIPVNDKFETNVPNIYAIGDIATSHYRHVDLPASVPLAWGAHRAASIVAEQIAGNDTIEFKGFLGNNIVKFFDYTFASVGVKPNELKQFDYKMVEVTQGAHANYYPGNSPLHLRVYYDTSNRQILRAAAVGKEGADKRIDVLSMAMMNQLTVDELTE-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4EQS.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 : 2178 -254384 -116.80 -669.43 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -116.80 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.503

(partial model without unconserved sides chains): PDB file : Tito_4EQS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EQS-query.scw PDB file : Tito_Scwrl_4EQS.pdb: