Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKEKAIVVFSGGQDSTTCLLWALKEFEEVETVTFHYNQRHSQEVEVAKSIAEKLGVKNHLLDMSLLNQLAPNALTRNDIEIEVKDGELPSTFVPGRNLVFLSFASILAYQIGARHIITGVCETDFSGYPDCRDEFVKSCNVTVNLAMEKPFVIHTPLMWLNKAETWKLADELGALDFVKNNTLTCYNGIIADGCGECPACHLRSKGYEEYMVMKGERA 3BL5 Chain:D ((3-215)) --KEKAIVVFSGGQDSTTCLLWALKEFEEVETVTFHYNQRHSQEVEVAKSIAEKLGVKNHLLDMSLLNQLAPNALT--------------STFVPGRNLVFLSFASILAYQIGARHIITGVCE----GYPDCRDEFVKSCNVTVNLAMEKPFVIHTPLMWLNKAETWKLADELGALDFVKNNTLTCYNGIIADGCGECPACHLRSKGYEEYMVMK----

General information: TITO was launched using: RESULT: Template: 3BL5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 950 -117384 -123.56 -601.97 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain D : 0.96 3D Compatibility (PKB) : -123.56 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.96 QMean score : 0.483

(partial model without unconserved sides chains): PDB file : Tito_3BL5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BL5-query.scw PDB file : Tito_Scwrl_3BL5.pdb: