Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEQPIGVIDSGVGGLTVAKEIMRQLPKENIIYVGDTKRCPYGPRPEEEVLQYTWELTNYLLENHHIKMLVIACNTATAIALDDIQRSVGIPVVGVIQPGARAAIKVTDNQH--IGVIGTENTIKSNAYEEALLALNPDLKVENLACPLLVPFVESGKFLDKTADEIVKTSLYPLKDTSIDSLILGCTHYPILKEAIQRYMGEHVN------IISSGDETAREVSTILSYKGLLNQSPIAPDHQFLTTGARDQFAKIADDWFGHEVGHVECISLQEPIKR 2JFX Chain:B ((3-253)) -----IGVFDSGVGGFSVLKSLLKARLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFF-KPHEIELLIVACNTASALALEEMQKYSKIPIVGVIEPSILAIKRQVEDKNAPILVLGTKATIQSNAYDNA-LKQQGYLNISHLATSLFVPLIEESILEGELLETCMHYYFTPLEILP-EVIILGCTHFPLIAQKIEGYFMGHFALPTPPLLIHSGDAIVEYLQQKYAL----------PKVEFHASGDVIWLERQAKEWL------------------

General information: TITO was launched using: RESULT: Template: 2JFX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1347 -88477 -65.68 -374.90 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -65.68 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_2JFX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JFX-query.scw PDB file : Tito_Scwrl_2JFX.pdb: