Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARMAKVVELPSIAKIDKSKGKISAQLTQALREAVQSGDLQPGDPLPSSRELALTLGVARGTIIEAYDQLLAEGVFDSQPRTGTYVSHALVKTSAIQHSSKENKPNSISLNKSARSYAKVLDEFKPLPHVPFAVSVPIARTQPSDIWRKFGNKFRSRGAGVPSGYGEPQGVLSLRIAIADYVRRSRSVHCEPEQIVITPSIQQSLYICNQILFEAKDEVWVEDPAYRGTTAIFEHTVQNIRMVRVPVDEEGIQIETGIKL-S------KQASAAFVTPSHQYPLGMPMSLARRTALLAWAKQQNAWIIEDDYDSELRYNGQPFPSLQGMAPD-QAIYLGTFSKVLFPSLRLGYAVLPKELVAPFCGLRVLIDRHPPAADQHVLAAFIQEGYLERHIRRTRNVYAEVREYIIGLIEKYIPQELAWLQLGDQGMHMVLWLAQHINDIDVASSAVDAGIAIKAISPTFSKERRRSGLIVGLGDFEPELMQQAIKKLSKIIQQHAKSM 3AOW Chain:A ((76-447)) ------------------------------------------------------------------------------------------------------------------------------SDIISLAGGLPNPKTFPKEIIRDILVEIMEKYADKALQYGTTKGFTPLRETLMKWLGKRYGIS-QDNDIMITSGSQQALDLIGRVFLNPGDIVVVEAPTYLAALQAFNFYEP--QYIQIPLDDEGMKVEILEEKLKELKSQGKKVKVVYTVPTFQNPAGVTMNEDRRKYLLELASEYDFIVVEDDPYGELRYSGNPEKKIKALDNEGRVIYLGTFSKILAPGFRIGWMVGDPGIIRKMEIAKQSTDLCTNVFGQVVAWRYVDGGYLEKHIPEIRKFYKPRRDAMLEALEEFMPEGVKWT-KPEGGMFIWVTLPDGIDSKKMLERAIKKGVAYVPGEAFYAHRDVKNTMRLNFTYVDEDKIMEGIKRLAETIKEELK--

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 -38843 -18.58 -106.71 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -18.58 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.458

(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: