Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHMLIAGGGIGGLSAAISLRKAGFSVTLCEAASENRKTGAGILQPQNALAVLKELGVFEDCCKHGFQTEWFKTFDEQGNLLFQVSESFLDDSLPGRNNILRKTLNDILMKHAEAVGVDIKWGKKVVAYEETAESVTALC-EDGEKMQADILAGFDGIHSVVRDKMLQKETE---------------KEHLGMGAWRFYIELPDYTFEDATFMYRSGDTQIGVVPLAQHAGYVFVLQPCTSDYWDEEDTRFDRVKEILSGFRGLDFVTKHMSKQHPVIFNKLEQVAVQEPWHKGRVIIGGDAAHAGAPTLAQGAAMAIEDAIVLAEELQNHADHETALQAYYKRRAPRALKVQNLSSEIVRRRLKGEPGAEELIGECYAVLREGY 3ALL Chain:A ((16-350)) -----VAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSV---SKETF--NGLPWRI-MTRSHLHDALVNRARALGVDISVNSEAVA----ADPVGRLTLQTGEVLEADLIVGADGVGSKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYS---------PCNENELYLGLMAPAADPRGSSVPIDLEVWVEM---FPFLEPCLIEAAKLKTARYDKAETTKL-DSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEEGSSVEDALVAWETRIRPITDRCQALSGDYAANR----------------------

General information: TITO was launched using: RESULT: Template: 3ALL.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 : 1787 -156940 -87.82 -491.97 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -87.82 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.451

(partial model without unconserved sides chains): PDB file : Tito_3ALL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ALL-query.scw PDB file : Tito_Scwrl_3ALL.pdb: