Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MFHLLGAQQNQKLKRRRFFCPVCGGELAVK-----LGLQKAPHFAHKQNKSCAIDIEP---------ESAYHLEGKRQLYV--------------------------WLKTQRASPILEP-----YIRTINQRP----------DVMARIKEHMLAVEYQCATIAPDVFQKRTEGFKQEGII----------------PQWIMGYSRLKRTASSFYQLSTFHWQFINASPYR-----ELICYCPERRSFLRLSHIIPFYTNHSYSSVQTIPIHRAGAGDLFFTEPK----------PSIQYSGWTKAIHRFRHKPHRF-----NSKETNRLRLL-------FYEKRQTPFSFLPTEV---FVPVRKGAVFKSPVF------VWQ------------------GFLYLFMTDLGGKRAPIRF---SAVLQQCKLHIH---NKNIALRSECSEECLSEAVKQYIDFLCK-------------KGFLRETQKEVYVLNQPAGGIH-SMQDLIERDRSCFIE---------- 4K3C Chain:A ((262-793)) YNISEMRIIGDTQKLDNELNQLLTHFKAGQLFRKTELSIIEEQIKQILGDRGYGSAKVDLYPKFNEEDHTVQINFIVDAGRRIYVRKIRFEGNDVTADSTLRREMRQQEGAWLSTSAVSLAKSRLERTGFYETVEMSMPTVKNTDDQVDIIYKIKERNTGSINFGVGYGSGSGLSYNAGITQDNFLGMGSSLGLNGSRNTDSTNVNLSYTEPYFTKDGVSLGGNIFYEDYDNSARKASAAYKRKTYGASGTLGFPVDENNSYYLGLGYTHDKLRNVEREYTREKYVNSMKFPINPQNSHYDRIQSADFDLSFGWNYNNLNRGYFPTAGSSANISGKLTLPGSDNKYYQVGTNFSGYIPLNSEHKWVIATKGGLAYTNSFGGKEVPFYQLYSAGGMGSLRGFAGGSIGPKAIYYREDGFKAPSQDVIGGNAMVNASLELIIPAPFISDKYQHNVRTSVFVDAATVWNTKWKQSKADYPNLPDFGDYKRVRASAGIALQWQSPIGPLSFSYAKPIKKYAGDEIEQFQFTVGSTF

General information: TITO was launched using: RESULT: Template: 4K3C.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 : 1414 -39339 -27.82 -105.47 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -27.82 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.062

(partial model without unconserved sides chains): PDB file : Tito_4K3C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4K3C-query.scw PDB file : Tito_Scwrl_4K3C.pdb: