Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MSEALTEQKSQKWAI-SLFTIGVFMAALDNGIISAALTTINES---FSVSPSWGSWGITLYTLGLSVSVPIVGKLSDRYGRKKLFLIEVCLFGLGSLLVALSQSFPLFLISRLIQALGGGGIFIIGSSHILATLPKEKQGKALGLLGAMNGMAAVLGPNIGSFLLDWTGSWHWLF---LINLPIAVLLVVFGACFIAETKAPEAKRLDAAGIFLLSLSILAV-MYGMTNLDGANLLHSLGNPEVYGCIIFGILCFAALISYEKRVEMRGGDPILAYSLLRNHMFQRTLIIGLLSGGLLAAVIFI-PSYVEQYLGVPAAKAGYWMTPLALASGIGAWLGGALTDKKGPVKTVILSGIISCAGFALFPLWVTEKWEFVIASVAAGIGFGFLLGAPLNVLVSEAAKTNKGTALGTLSLVRQIGLTLAPTLY----AGFITAGFDQIGDEINSRLSDSGYSEKAMQMIPEIDSSEVSSLQEQIERIPVPEV-----------KTAISDAIHASVASGYDHLYAAAAVVSLLVIAAISIPAFRRQKR 4U1F Chain:A ((146-625)) PSSSLKSWLMDDKVRDQFVLQDDVKTSVFWNSMFNEEDSLVESRENWSTNYVRFSPK-GTYLFSYHQQGVTAWG------GPNFDRLRRFYHP----DVRNSSVSPNEKYLVTFSTEPI---------IVEEDNEFSPFTKKNEGHQLCIWDIASGLLMATFPVIKSPYLKWP-LVRWSYNDKYCARMVGDSLIVHD--ATKNFMPLEAKALKPSGIRDFSFAPEGVKLQPFRNGDEPSVLLAYWTPETNNSACTATIAEVPRGRVLKTVNLV-------------QVSNVTLHWQNQAEFLCFNVERHTKSGKTQFSNLQICR---------------------LTERDIPVEKVELKDSVFEFGWEPHGN------RFVTISVHEVADMNY--AIPANTIRFYAPETKK-----RWSLVKEIPKTFANTVSWSPAGRFVVVGALVGPNMRRSDLQFYDMDYPGEKNIN--DNNDVSASLKDVAHPTYSAATNITWDPSGRYVTAWSSSLKHKVEHGYKIFNIAGNLVKEDIIAGFKNFAWRPRP-

General information: TITO was launched using: RESULT: Template: 4U1F.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 : 2163 -242671 -112.19 -545.33 target 2D structure prediction score : 0.25 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -112.19 2D Compatibility (Sec. Struct. Predict.) : 0.25 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.013

(partial model without unconserved sides chains): PDB file : Tito_4U1F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U1F-query.scw PDB file : Tito_Scwrl_4U1F.pdb: