Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFIMKRIGILTSGGDAPGMNAAVRAVVRKGIYEGLEVYGINYGFAGLVAGDIRRLDVADVGDKIQRGGTFLYSARYPEFATEEGQLKGIEQLKKFGIEGLVVIGGDGSYHGAMALTKRGFPAVGIPGTIDNDIPGTDFTIGFDTAINTVLESIDRIRDTATSHVRTFVIEVMGRNAGDIALWSGVAGGADEIIIPEHDFDMASVAKKIQEGRDRGKKHCLIILAEGVMGGNEFAEKLSEFGDYHTRVSILGHVVRGGAPSARDRVLASKFGAYAVELLQEGKGGLCVGIHDNEIVASDIIDTLENNKHKPDLSLYDLNNSLSF 4I4I Chain:C ((1-319)) ---MKRIGVLTSGGDSPGMNAAIRSVVRKAIYHGVEVYGVYHGYAGLIAGNIKKLEVGDVGDIIHRGGTILYTARCPEFKTEEGQKKGIEQLKKHGIEGLVVIGGDGSYQGAKKLTEHGFPCVGVPGTIDNDIPGTDFTIGFDTALNTVIDAIDKIRDAATSHERTYVIEVMGRHAGDIALWSGLAGGAETILIPEADYDMNDVIARLKRGHERGKKHSIIIVAEGVGSGVDFGRQIQEATGFETRVTVLGHVQRGGSPTAFDRVLASRLGARAVELLLEGKGGRCVGIQNNQLVDHDIAEALA-NKHTIDQRMYALSKELSI

General information: TITO was launched using: RESULT: Template: 4I4I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1955 -221218 -113.15 -693.47 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.91 3D Compatibility (PKB) : -113.15 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_4I4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4I4I-query.scw PDB file : Tito_Scwrl_4I4I.pdb: