Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNKQLKKKAQEIGNVPTHYELEIEDYDQKQKKYGQAYFI-WKDPKDPEKHITVELRNDGALLTFSTTVHSETDKKLPDAELKLTALQFAAANHPGTFMNFHFQGKEERG-QHIRFVYTKMELGLPI-PNSG-FLIDMTRSGQIVHFLYYGEGHKA-------EVPTE---FVAK-EKVVSHYLN--TMSFELMYDVIDGEQEPRLVYEPILPGYSYPADVDEIVPDQHIADERIENTAPLPPLQNKEEVDIFALLGFTSDMQKVSERDFGEQIGSTWRRGAAPERKDLSIGSYF-ET-RNKNTIKMKTDKR---TGKLKAALSFMD-WRNNLQCSTEECQEIALQFLYALYPRAAEFFRVNP----VRIDERGRVRNHFSVWYKGVPLRFGAARIIVNPETGLIDAFMAPDIEPEQLEAINHRPDVSAEEAKEAFLAAFDVKLEWQPDFTAGSDQHCKLVYKPVYPSYIDAHIRKKKRL-- 3BWS Chain:A ((27-433)) -GTEIVKFSIHPYKGTVIRLGEEILPFKVLEMDKNIALVEMAIPVYKDEKEIELKLSSPG-FQNSSYRI-----RKPEELNEKLIAL-----DKEGITHRFISRFKTGFQPKSVRFIDNT-RLAIPLLEDEGMDVLDIN-SGQTVRLSPPEKYKKKLGFVETISIPEHNELWVSQMQANAVHVFDLKTLAYKATVD-LTGKWSKILLYDPIRDLVYCSNWISE---DISVIDRK-----TKLEIRKTDKIGLPRGLLLSKD----GKELYIAQFSASNQ-----ESGGGRLGIYSMDKEKLIDTIGPPGNKRHIVSGNTENKIYVSDMCCSKIEVYDLKEKKVQKSIPVFDKPNTIAL---SPDGKYLYVSCRGP--NHPTEGYLKKGLVLGKVYVIDTTT----------DTVKEFWEAGNQ-------------PTGLDV-----------SPDNRYLVISD----FLDHQIRVYRRDGF

General information: TITO was launched using: RESULT: Template: 3BWS.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 : 2157 -40201 -18.64 -106.35 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -18.64 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.094

(partial model without unconserved sides chains): PDB file : Tito_3BWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BWS-query.scw PDB file : Tito_Scwrl_3BWS.pdb: