Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNFILNENKQLSLAIEDENIENFYIDGTDLVRKIIRRSGSGVTSRVPVLSTQDLENKNLHELYDESWLRMKNRPNTELTTESINIADLFSGCGGLSLGVWEACRALGINP-RFSFACDLNEAALSVYEKNFSPDFSLNESIEKHINGEL-GAPLTVEEQRIKDKVKKIDFILAGPPCQGHSDLNNHTR--RKDPRNALLMRVSRVIELFQPSSVLVENVPGIIHDKSG-SFKEFKNHLKTQGYYFDEIVLNAEKLGVSQARRRYFIFASKTPVSSLNQINEFYS----------------------------TNSRPISWAISDLVENVGDDIFNT----------------------------ASEHSLENKRRIEYLFE---NNLFELPNSE------------RP----------------------------------------DC--H-RLKPHSYKSVYGRMYWDRPAPTITRGFGST-GQGRFVHSLLKRTITPHEAARIQFFPDFFNFGDLRRRQYQDVIGNAVPSKLSYLLALHQLR 4WXX Chain:A ((786-1245)) -------------------------------------------------------------------------------KLPKLRTLDVFSGCGGLSEGFHQA------GISDTLWAIEMWDPAAQAFRLNNPGSTVFTEDCNILLKLVMAGETTN-SRGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDYYRPRFFLLENVRNFVSFKRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAPGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEVRNGASALEISYNGEPQSWFQRQLRGAQYQPILRDHICKDMSALVAARMRHIPLAPGSDWRDLPNIEVRLSDGTMARKLRYTHHDRKNGRSSSGALRGVCSCVEAGKACDPAARQFNTLIPWCLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFPDTYRLFGNILDKHRQ-VGNAVPPPLAKAIGLEIKL

General information: TITO was launched using: RESULT: Template: 4WXX.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 : 1877 -136545 -72.75 -401.60 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -72.75 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_4WXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WXX-query.scw PDB file : Tito_Scwrl_4WXX.pdb: