Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIASSTASSEFLKNPYSFYDTLRAVHPIYKGSFL-KYPGWYVTGYEETAAILKDARFKVRTPLPE-SSTKYQDLSHVQNQMMLFQNQPDHRRLRTLASGAFTPRTTESYQPYIIETVHHLLDQVQGK-KKMEVISDFAFPLASFVIANIIGVPEEDREQLKEWAASLIQTIDFTRSRKALTEGNIMAVQ-AMAYFKELIQKRKRHPQQDMISMLLKGRE-KDKLTEEEAASTCILLAIAGHETTVNLISNSVLCLLQHPEQLLKLRENPDLIGTAVEECLRYESPTQM--TARVASEDIDICGVTIRQGEQVYLLLGAANRDPSIFTNPDVFDITRSPNPHLSFGHGHHVCLGSSLARLEAQIAINTLLQRMPSLNLADFEWRYRPLFGFRALEELPVTFE 3WVS Chain:A ((17-401)) -------FGPDEGLALSESYTRARDTDGLIRVKLPYGEPAWLATRYEDARLVLGDAR-FSRALSEEHDPPR-ARKFNAQAKSMFNMDAPDHTRLRRLISKAFTIRRVEELRPKVHDLAHRLIDDMLAKGEPADLVADYALPIPTTVICELLGVPFEDREKFGRWTDAILSTSTL--NPE----EGRVKRMELVGYIGGIIAARRAQPADDLISGMIEARDVQDKLTEQELLDHCIGLLIAGHETTASQIPSFVYALLDQPQHWKRLLDDPELIPSAVEELFRFVPLGSGSAAPRYAREDIEVGGTLVRAGEPVLVALGAANRDGLRFEDPEEIKLDRPSNHHIGFGHGIHHCLGAPLARLELQEALRALLERL-PTLKVAGDIAWKSEMMVRGPRSMPVGW-

General information: TITO was launched using: RESULT: Template: 3WVS.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 : 1905 8162 4.28 21.59 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 4.28 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_3WVS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WVS-query.scw PDB file : Tito_Scwrl_3WVS.pdb: