Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNKQLKKKAQEIGNVPTHYELEIEDYDQKQKKYGQAYFIWKDPKDPEKHITVELRN-DGALLTFSTTVHSE-------------TDKKLPDAELKLTALQFAAANHPGTFMNFHFQGKEERGQHIRFVYTKMELGLPIPNSGFLIDMTR-SGQIVHFLYYGEGHKAEVPTEFVAKEKVVSHYLNTMSFELMYDVIDGEQEPRLVYEPILPGYSYPADVDEIVPDQHIADERIENTAPLPPLQNKEEVDIFALLGFTSDMQKVSERDFGEQIGSTWRRGAAPERKDLSIGSYFETRNKNTIKMKTDKRTGKLKAALSFMDWRNNLQCSTEECQEIALQFLYALYPRAAEFFRVNPVRIDERGRVRNHFSVWYKGVPLRFGAARIIVNPETGLIDAFMAPDIEPEQLEAINHRPDVSAEEAKEAFLAAFDVKLEWQPDFTAGSDQHCKLVYKPVYPSYIDAHIRKKKRL 4EXR Chain:A ((34-172)) --YTDAINIFKDKYK---DADIVDLSLERD-LNKFVYTVEGVDD---NNEYKMKIDANTKDVLEDKTEKLDSEDLNGVARKEKLDLNDIMTPQQAMEIALKEQN----GIVKEWSLDKD-LDVTFYKIRIDKD-------KNEYDIKVDSKKGTVLKVEK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4EXR.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 : 543 -38205 -70.36 -308.10 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -70.36 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.542

(partial model without unconserved sides chains): PDB file : Tito_4EXR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EXR-query.scw PDB file : Tito_Scwrl_4EXR.pdb: