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 3WX9 Chain:A ((66-444)) ------------------------------------------------------------------------------------------------------------VRELLKLVETSDIISLAGGLPNPKTFPKEIIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWLGKRYGIS-QDNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIKE----

General information: TITO was launched using: RESULT: Template: 3WX9.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 : 2118 -239777 -113.21 -649.80 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -113.21 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.574

(partial model without unconserved sides chains): PDB file : Tito_3WX9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WX9-query.scw PDB file : Tito_Scwrl_3WX9.pdb: