Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKHISMLFVFLMAVMVLSACNSSESSSNSEVSSSKTRTVKHAMGTSDNIPANPKRIVVLTN-EGTEALLALGIKPVGAVKSWKGDPWYDYLKD---------DMKGVKNVGLETEPNVEAIAELKPDLIIGNKVRQEKIYDQLNAIAPTVFAESLAGNWKDNLTLYANAVNKADKGKEVIADFDKRVSDLKNKLGDQTNKTVSVVRFLSGESRIYYTDSFPGIILDQLGFKRPEKQVELFKKQKDQFTFSTDSKESIPDMDADVLFYFTYKAD-NAKENEKWANQWTSSSLWKN-LKAVKSGNAHEVDDVVWTTAGGIKAANYLLDDIETYFLKTK 3BE5 Chain:A ((10-260)) -------------------------------------------LGRKVTVPAHPKRIVSLHDLDITIPLIELGVPPVASHGRTRPDGSH-FIRSGALLTGVDFDNSSIAFIG-TADIDIEAIVAAKPDLIITEPTRNTPI-ERLEKIAPTVSIDHLKGGAPEIYRKLAELTGTQSQLAILERRYQAQINALKATL-DSQKITVSVIQANQGKINVMHSYHSLGRVLRDAGFRFPPLIESIPEGGRMDV-----SAERLPELDADFVFA-TWRGDTGGKPQDELATMEKVMPGWCQFLTACRSGR---------------------------------

General information: TITO was launched using: RESULT: Template: 3BE5.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 : 1067 -91271 -85.54 -381.89 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -85.54 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_3BE5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BE5-query.scw PDB file : Tito_Scwrl_3BE5.pdb: