Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAINKAVSIDTAFQTIMQELRERSARFLGTKQAVSEEKAEFDCPYCKDRGIVVYRVHKDTSWHLDEQLDLMVPDDMVSEDDFLLGKVCTPDKASEWKDTYSKQCECVRRKKIARLMAASGITEEFEKLLFGNFITDGKPDMIKDAYECAVEYYKDFQKIKGERQNSIALLGQPGSGKTHLLTAIMNNLIKKKSVHCMYFPYVEGMGDLKANFDN--LEAKLDAMRKVEVLFIDDLFKPINGQPRATDWQVEQIQSVLNYRYLNHKPLLISSELTIDEIL-D-----IDEALGSRIHQMCRDYIVIIRGDRMQLNHRLGDWE 5BQ5 Chain:A ((38-181)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------RKENILFLGPPGIGKTHLAISIGMEAIA-RGYKTYFITAHDLVNQLRRADQEGKLEKKLRVFVKPTVLIIDEMGYLK-----LDPNSAHYLFQVIARRYE-HAPIILTSNKSFGEWGEIVGDSVLATAMLDRLLHHSI--IFNLKG--E--SYRLRE--

General information: TITO was launched using: RESULT: Template: 5BQ5.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 : 616 -33499 -54.38 -246.31 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -54.38 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_5BQ5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BQ5-query.scw PDB file : Tito_Scwrl_5BQ5.pdb: