Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFPEEKKMKKLPKYRQIVHFIKEKIGNGEWPIGSKIPSQRTLAKDFQVNRSTVITALEELMADGLIEGTMGKGTVVINNTWTLMAKNSAPDWDQYVTSGIQMPSRKIVQEINQSESNTDLIQLSKGELSAEIFPLAVMKEMMGKVSQHM--EAFGYEEPKGYLPLREALSNYL-KTIGINVSSSSILIVSGALQALQLISMGLLQRGSTVYLDQPSYLYSLHVFQSAGMKLTGLPMDNEGL----LPENVHLTRGERGRA-ILYTNPCFHNPTGILMSKKRREEILAVSENTQLPIIEDDIYRELWIDEIPPYPIKTIDKNGHVLYIGSLSKTLSPGLRIGWIVGPEPVIERLSDIKMQTDYGSSSLSQRVAAEWFTSGHYQQHVEKVRQQLKVRRELALSALETHLKEVATWNIPKGGFFVWIKILPSISMKLLYTKALSKGILINLG-SIYA-QEKGNYIRLSYAYASLEDLQKGIYELGLMIKELASR 1X0M Chain:A ((46-424)) ------------------------------------------------------------------------------------------------------------VRELLKLVETSDIISLAGGLPNPKTFPKEIIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWLGKRYGIS-QDNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIKE----

General information: TITO was launched using: RESULT: Template: 1X0M.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 : 2097 -243486 -116.11 -659.85 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -116.11 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.597

(partial model without unconserved sides chains): PDB file : Tito_1X0M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1X0M-query.scw PDB file : Tito_Scwrl_1X0M.pdb: