Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRIILLLAVIIAAAAAGVAFYVAKDKGHEKAADVSVNTESGDELLVSITDTDLLTKYYENDK---VIHEEK-LTSYPAFALDQKQQVLYYTGNNEQNEMRLFKLDLKSHKKT-MLYKGAESADSLFLSKDRSTIYFRLGKADESNFRIAAFDLKTKKYKNLYPAANDQDDTVSSFFYNQKNDSFALLHYSVEEDYKKTDEANEKGID-----PEP-------TTIHFAEGRQN-KFNELKSLNQFISDIAVSDDDKRILFTSYTQKGTEQTASIQMLNADTKKYESI--ISNQKSFKLLIDAQPQFSKDGKNIYFLAEAKGAKKLKDETGREAKVRTIYSYSLENKTFKKVWENPNGIINSFFVIN 4J87 Chain:A ((23-306)) --------------------------------------------QPWILTSLHNGRIQLWDYRMGTLLDRFDGHDGPVRGIAFHPTQPIFVSGGDD----YKVNVWNYKSRKLLFSLCGHMDYVRVCTFHHEYPWILSCSD-----DQTIRIWNWQSRNCIAILT---GHSHYVMCAAFHPSEDLIVSASLD--QTVRVWDISGLRMKNAAPVSMSKEDQKAQA--------ADAIVKFVLEGHDRGVNWCAFHPTLPLILSAGD-------DRLVKLWRMTASKAWEVDTCRGHF----NNVSCCLFHPHQELILSASED----------------KTIRVWDLNRRTAVQTFRRANDRFWFITV--

General information: TITO was launched using: RESULT: Template: 4J87.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 : 1477 -144050 -97.53 -569.37 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -97.53 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_4J87.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J87-query.scw PDB file : Tito_Scwrl_4J87.pdb: