Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDITITLDRSEQADYIYQQIYQKLKKEILSRNLLPHSKVPSKRELAENLKVSVNSVNSAYQQLLAEGYLYAIERKGFFVEELDMFSAEEHPPFALPDDLKEIHIDQSDWISFSHMSSDTDHFPIKSWFRCEQKAASRSYRTLGDMSHPQGIYEVRAAITRLISLTRGVKCRPEQMIIGAGTQVLMQLLTE-LLPKEAVYAMEEPGYRRMYQLLKNAGKQVKTIMLDEKGMSIAEIT---R------QQPDVLVTTPSHQFPSGTIMPVSRRIQLLNWAAEEPRRYIIEDDYDSEFTYDVDSIPALQSLDRFQNVIYMGTFSKSLLPGLRISYMVLPPELLRAY-KQRGYDLQTCSSLTQLTLQEFIESGEYQKHIKKMKQHYKEKRERLITALEAEFS-GEVTVKGANAGLHFVTEFDTRRTEQDILSHAAGLQLEIFGMSRFNLKENKRQTGRPALIIGFARLKEEDIQEGVQRLFKAVYGHKKIPVTGD 3AOW Chain:A ((74-446)) --------------------------------------------------------------------------------------------------------ETSDIISLAGGLPNPKTFPKEIIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWLGKRYGISQ-DNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEPQYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASE-YDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEAL-EEFMPEGVKWTKPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRD----VKNTMRLNFTYVDEDKIMEGIKRLAETIKEEL-------

General information: TITO was launched using: RESULT: Template: 3AOW.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 : 2090 -197626 -94.56 -547.44 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -94.56 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.538

(partial model without unconserved sides chains): PDB file : Tito_3AOW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AOW-query.scw PDB file : Tito_Scwrl_3AOW.pdb: