Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHKLGLLSSLGLSFISTLTWGEETSTVLETIRIQAESTREDVSQNSSATKFTHDVLDVPFNRAYLSKQIMEQQDVQRIDDALTLVSGVF-------HQNSFGGGF-WDNYSFRGF-STDPNLGAAMIRNGLSVNRGISAPKDVVNIESLEFLKGPMAALYGRGETGGLLNLNSKKPQWESESELNLRANTQEQYHISLEHTAPINDE--LAYRLAVAHEDNQSFRDHVSSERWFFSPQLTWKISDQTQLDFDSEFTEH-------KGTFDRGVSTVNHQFVMDPKTFTGEPDDGDLKIKDYFYQLHLSHEFNPDWKLNSAVSYKDAKMVGFATEPRRMQADGRALERQRRY--RDYTSEDVLAQTE--LLGKIDTSWARHEILLST--ELGQLDYKQNQLRRNHSTSSTNTI----DIYQPEYGKYLPNLTPFTDTKERQRYFALNVQDQIFFNDQWSVLLGNRFDQVEQDFKNHIKQTEDNQTLHQNS---PRFGVNFKASDQWAFYTNYGRSFAMNSGMNRNG--QTFAPEKGESYEVGTKYKINDQSV-LSLALFKMKKQNVLTTDPIDKDFQTAAG--------EVSSKGVEFDLNSQITDRWFINANYSYTDAQIEKDQDLAKGARLSN-VPKHQGSVSTNYEF--------LQDGARKAGVGANLTYVGERSGHNLDNGFNLPSYTLVNLNGYYAPSDRLRYQLNVNNLFDKTYYV-------SSYSDLWVQPCEPLNASISAQWKF 2W6U Chain:A ((110-772)) ----------------------------------------------ATATRLVLTPRETPQSITVVTRQNMDDFGLNNIDDVMRHTPGITVSAYDTDRNNYYARGFSINNFQYDGIPSTARNVGYSA-GNTLS---------DMAIYDRVEVLKGATGLLTGAGSLGATINLIRKKPTHEFKGHVELGAGSWDNYRSELDVSGPLTESGNVRGRAVAAYQDKHSFMDHYERKTSVYYGILEFDLNPDTMLTVGADYQDNDPKGSGWSGSFPLFDSQGNRNDVSRSFNNGAKWSSWEQYTRTVF--ANLEHNFANGWVGKVQL---DHKINGYHAPLGAIMGDWPAPDNSAKIVAQKYTGETKSNSLDIYLTGPFQFLGREHELVVGTSASFSHWEGKSYWNLRNYDNTTDDFINWDGDIGKPDWG------TPSQYIDDKTRQLGSYMTARFNVTDDLNLFLGGRV----VDY----RVTGLNPTIRESGRFIPYVGAVYDLNDTYSVYASYTDIFMPQDSWYRDSSNKLLEPDEGQNYEIGIKGEYLDGRLNTSLAYFEIHEENRAEEDALYNSKPTNPAITYAYKGIKAKTKGYEAEISGELAPGWQVQAGYTH---KIIRDD---SGKKVSTWEPQDQLSLYTSYKFKGALDKLTVGGGARWQGKSWQMVYNNPRSRW---EKFSQEDYWLVDLMARYQITDKLSASVNVNNVFDKTYYTNIGFYTSASYGD-------PRNLMFSTRWDF

General information: TITO was launched using: RESULT: Template: 2W6U.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 : 3678 183484 49.89 303.28 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 49.89 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.118

(partial model without unconserved sides chains): PDB file : Tito_2W6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W6U-query.scw PDB file : Tito_Scwrl_2W6U.pdb: