Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------MGQLTDASVVLRFGYQAIRRAG------LPTEEILTKAGVALNQVDTNARTPLSAQYAFWTAAQEVSKDPDIGLHLGEHLPLYRGQVIEHLFNSSETFGEGLKRALAYQRLISDAFDAKLVVEDGRCYLTNGEQVGADNLV-----------------NRHFSECAI--SGVLRFFKFITEGQFHPIFIDFNFSEGASEDEYFRVYGCPVSLGQK----ETRLYFDPAILDFQLWQAEPELLQLHEQLAIEKLQEL-ARYDLVGEVR---------RAIGSTLESGETTLETVAAQLNITPRRLRTQLSEANTSFQQILSDYRCRLAKKLLANTNESVERIVYLTGFSEPSTFYRAFKRWTNETPVEYRKRKQHR 4JY3 Chain:A ((10-379)) KTRRAEVAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLG-ALDDVLQGSHTPPT--YETWMHNKSVSKETFNGLP-------------WRIMTRSHLHDALVNRARALGVDISVNSEAVAADPVGRLTLQTGEVLEADLIVGADGVGSKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSSVP--IDLEVWV---EMFPFLEPCLIEAAKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEE-GSSVEDALVAWETRIRPITDRCQALSGDYAAN-RSLSKGNMFTPAALEAARYDPLRRVYSWPQ-

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 : 1839 48399 26.32 155.12 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 26.32 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.172

(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: