Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MKHMLIAGGGIGGLSAAISLRKAGFSVTLCEAASENRKTGAGILQPQNALAVLKELGVFEDCCKHGFQTEWFKTFDEQGNLLFQVSESFLDDSLPGRNNILRKTLNDILMKHAEAVGVDIKWGKKVVAYEETAESVTALCEDGEKMQADILAGFDGIHSVVRDKMLQKETEKEHLGMGAWRFYI-----ELPDYTFEDATFMYRSGD--TQIGVVPLAQHAGYVFVLQPCTSDYWDEEDTRFDRVKEILSGFRGLDFVTKHMSKQHPVIFNKLEQVAVQEPWHKGRVIIGGDAAHAGAPTLAQGAAMAIEDAIVLAEELQNHADHETALQAYYKRRAPRALKVQNLSSEIVRRRLKGE-----PGAEELIGECYAVLREGY---- 4JY3 Chain:A ((10-379)) KTRRAEVAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWM---HNKSVSKETF--NGLPWRI-MTRSHLHDALVNRARALGVDISVNSEAVAADPVGRLTL---QTGEVLEADLIVGADGVGSKVRDSIGFK-QDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSSVPIDLEVWVEM---FPFLEPCLIEAAKLKTARYDKYETTKL-DSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEEGSSVEDALVAWETRIRPITDRCQALSGDYAANRSLSKGNMFTPAALEAAR--YDPLRRVYSWPQ

General information: TITO was launched using: RESULT: Template: 4JY3.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 : 2155 -187743 -87.12 -531.85 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -87.12 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_4JY3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JY3-query.scw PDB file : Tito_Scwrl_4JY3.pdb: