Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNPTDFQSSALATLRIEQQAIDVLATQIDDRFNRACEILLQCKGRVVITGMGKSGHIGRKMAATFASTGTPSFFMHPGEAGHGDLGMLVRGDVLIAISNSGKSDEIMMLMPLIKHLGVPLITISRDDKGPMPQNADIALTLGESDEACPLGLAPTSSTTATLVLGDALAVALLEARGFTADDFARSHPAGALGKRLLLHVKHLMHTGEELPKVSPETPMNQVLYEISNKRLGVTTIVDEQDHLLGIFTDGDLRRLIDKQQGFDVNLPVSEVMTKKPSTISQEARAVEALQQLNQKKISQFVVVDDQNKVIGVISMHDLIQAGVN 2XHZ Chain:C ((11-182)) -----DFQQAGKEVLAIERECLAELDQYINQNFTLACEKMFWCKGKVVVMGMGASGHIGRKMAATFASTGTPSFFVHPGEAAHGDLGMVTPQDVVIAISNSGESSEITALIPVLKRLHVPLICITGRPESSMARAADVHLCVKVAKEACPLGLAPTSSTTATLVMGDALAVALLKAR----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XHZ.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 : 873 -123304 -141.24 -716.88 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain C : 0.72 3D Compatibility (PKB) : -141.24 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_2XHZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XHZ-query.scw PDB file : Tito_Scwrl_2XHZ.pdb: