Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHMLIAGGGIGGLSAAISLRKAGFSVTLCEAASENRKTGAGILQPQNALAVLKELGVFEDCCKHGFQTEWFKTFDEQGNLLFQVSESFLDDSLPGRNNILRKTLNDILMKHAEAVGVDIKWGKKVVAYEETAESVTALC-EDGEKMQADILAGFDGIHSVVRDKMLQKETE---------------KEHLGMGAWRFYIELPDYTFEDATFMYRSGDTQIGVVPLAQHAGYVFVLQPCTSDYWDEEDTRFDRVKEI-LSGFRGLDFVTKHMSKQHPVIFNKLEQVAVQEPWHKGRVIIGGDAAHAGAPTLAQGAAMAIEDAIVLAEELQNHADHETALQAYYKRRAPRALKVQNLSSEIVRRRLKGEPGAEELIGECYAVLREGY 3GMB Chain:A ((52-386)) -----VAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSV---SKETF--NGLPWRIMT-RSHLHDALVNRARALGVDISVNSEAVA----ADPVGRLTLQTGEVLEADLIVGADGVGSKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEW-------DNTIDMWNFWPRV--QRILYSPCNENELYLGLMAPAA----DPRGSSVPIDLEVWVEMFPFLEPCLIEAAKLKTARYDKYETTKL-DSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEEGSSVEDALVAWETRIRPITDRCQALSGDYAANR----------------------

General information: TITO was launched using: RESULT: Template: 3GMB.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 : 1735 -145120 -83.64 -456.35 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -83.64 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_3GMB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GMB-query.scw PDB file : Tito_Scwrl_3GMB.pdb: