Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MFKALFGVLQKIGRALMLPVAILPAAGILLAIGNAMQNKDMIQV------LHFLSNDNVQLVAGVMESAGQIVFDNLPLLFAVG-VAIGLANGDGVAGIAAIIGYLVMNVSMSAVLLANGTIPSDSVERAKFFTENHPAYVNMLGIPTLAT--GV-----FGGIIVGVLAALLFNR-FYTIELPQ--YLGFF------AGKRFVPIV-----------TSISALILGLIMLVIWPPIQHGLNAFSTGLVEANP--TLAAFIFGVI--ERSLIPFGLHHIFYSPFWYEF--FSYKSAAGEIIRGDQRIFMAQIKDGVQLTAGT---FMTGKYPFMMFGLPAAALAIYHEA--KPQNKKLVAGIMGSAALTSFLTGITEPLEFSFLFV-------------------APVLFAIHCLFAG-------LSFMVMQLLNVKIGMTFSGGLIDYFLFGI---LPNRTAWWLVIPVGLGLAVIYYFGFRFAIRKFNLKTPGREDAAE-------ETAAPGK--------------TGEAGDLP--YEILQAMGDQENI----------KHLDACITRLRVTVNDQKKVDKDRLKQL--GASGVLEVGNNIQAIFGPRSDGLKTQMQDIIAGRK--------------------PRPEPKTSAQEEVGQQVEEVIAEPLQNEIGEEVFVSPITGEIHPITDVPDQVFSGKMMGDGFAILPS-------------------EGIVVSPVRGKILNVFPTK-HAIGLQSDGGREILIHFGIDTVSLKGEGFTSFVSEGDRVEPGQKLLEVDLDAVKPNVPSLMTPIVFTNLAEG---ETVSIKASGSVNR---EQEDIVKIEK 4C91 Chain:A ((32-854)) EQFVIFTPAGNHFPLVANGVPCPIYIDSSEDKGVMIAAGNLQQDILQVCGKKPELLTSTSSKRCIIAGTYGT------PFIKKLMSAGKIDKKELDGKNEKYILQVIANPCEGIDEAVVIIGS------------------DRRGTIYGIYELSEQMGVSPWYWWADVPVMKQANVYIKPGQYSDGEPAVTYRGIFLNDEAPCLTRWVKHTYGTNYGDHRFYARVCELILRLKGNFLWPAM------WSWAFYADDPQNSKTASEMGVIIGTSHHEPMARNHQEWSRKRKEYGAWDYTT--------NQKVIDQFFREGIERMQGTEDIVTIGMNVKLLENVVKNQRKIIEEVTKRPAKETPQVWALYKEVLDYYDKGMRVPDDVIMLLCDDNWGNVCRLPNAKERKHPGGWGMYYHVDYVGAPRNSKWLNVTPIQNMWEQLQLTYDYGVEKLWILNVGDLKPMEYPITLFMDMAWNPKQFNVSNLLDHPRRFCAQQFGEDQADEAMRILNLYSKYNGRVTGEMLDRNTYNLETGEWKQVSDEYLKLEAEALRQYISLKPEYKDAYKQLILFPVQAMANLYEMYYAQAMNHKLYKENNPQANEWADKVEQAFA-RDKALSDDYNNIMSGGKWKNMMIQKHIGYTSWNDNFPADTLPKIYRIENPEKAVGGYVFTGQDGYIAIEA-EHYYSAKAAPDTEWTVIPYMGRTL-SGMALMPYTQPTDGASISYKIKLPKGIDKVTVHVIVKSTLAFHDRKGHEYSIGFEGGKDQTINFNHNLNELPENVYSIYYPTVAR-----RIVEKKAKLNVPNTSDGMQTITFKPLDPGIVLEKLVVDYGGYKKSYLFMNESKSKRE-

General information: TITO was launched using: RESULT: Template: 4C91.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 : 3178 -332064 -104.49 -509.30 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -104.49 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.161

(partial model without unconserved sides chains): PDB file : Tito_4C91.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C91-query.scw PDB file : Tito_Scwrl_4C91.pdb: