Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQLNVDLQEIAKFEALAAKWWDQHSEFRPLHQINPLRLNWIDERAGGLAGKKVLDVGCGGGILAESMARRGADVLGIDMGEAPLAVGRLHAQQENVQNIEYRQIPVEELAQEQAGQYDVVTCMEMMEHVPDPASIVKACQTLVKPGGHVFFSTINRNPKSYLFAIIGAEYVLRMLPKGTHDYHKFIRPSEMAHDIRNAGLTLKEMTGLHYNPITKRYWLAPNVDVNYMVHTIKTGV 4KDC Chain:A ((16-237)) ---------EIAKFEAVASRWWDLEGEFKPLHRINPLRLGYIAERAGGLFGKKVLDVGCGGGILAESMAREGATVTGLDMGFEPLQVAKLHALESGIQ-VDYVQETVEEHAAKHAGQYDVVTCMEMLEHVPDPQSVVRACAQLVKPGGDVFFSTLNRNGKSWLMAVVGAEYILRMVPK-------FIKPAELLGWVDQTSLKERHITGLHYNPITNTFKLGPGVDVNYMLHT-----

General information: TITO was launched using: RESULT: Template: 4KDC.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 : 1173 -150959 -128.69 -702.13 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -128.69 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.642

(partial model without unconserved sides chains): PDB file : Tito_4KDC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KDC-query.scw PDB file : Tito_Scwrl_4KDC.pdb: