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 3AV7 Chain:C ((66-444)) ------------------------------------------------------------------------------------------------------------VRELLKLVETSDIISLAGGLPNPKTFPKEIIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWLGKRYGIS-QDNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIKE----

General information: TITO was launched using: RESULT: Template: 3AV7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2111 -237172 -112.35 -642.74 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.74 3D Compatibility (PKB) : -112.35 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_3AV7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AV7-query.scw PDB file : Tito_Scwrl_3AV7.pdb: