Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHMLIAGGGIGGLSAAISLRKAGFSVTLCEAASENRKTGAGILQPQNALAVLKELGVFEDCCKHGFQTEWFKTFDEQGNLLFQVSESFLDDSLPGRNNILRKTLNDILMKHAEAVGVDIKWGKKVVAYEETAESVTALC-EDGEKMQADILAGFDGIHSVVRDKMLQKETE---------------KEHLGMGAWRFYIELPDYTFEDATFMYRSGDTQIGVVPLAQHAGYVFVLQPCTSDYWDEEDTRFDRVKEILSGFRGLDFVTKHMSKQHPVIFNKLEQVAVQEPWHKGRVIIGGDAAHAGAPTLAQGAAMAIEDAIVLAEELQNHADHETALQAYYKRRAPRALKVQNLSSEIVRRRLKGEPGAEELIGECYAVLREGY 4JY2 Chain:A ((16-350)) -----VAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSV---SKETF--NGLPWRI-MTRSHLHDALVNRARALGVDISVNSEAVA----ADPVGRLTLQTGEVLEADLIVGADGVGSKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYS---------PCNENELYLGLMAPAADPRGSSVPIDLEVWVEM---FPFLEPCLIEAAKLKTARYDKYETTKL-DSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEEGSSVEDALVAWETRIRPITDRCQALSGDYAANR----------------------

General information: TITO was launched using: RESULT: Template: 4JY2.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 : 1776 -158281 -89.12 -496.18 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -89.12 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_4JY2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JY2-query.scw PDB file : Tito_Scwrl_4JY2.pdb: