Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKFDNIQIKYGDFVAIDNLNLDIHEGEFFTFLGPSGCGKSTTLRALVGFLDPSSGSIEVNGTDVTHLEPEKRGIGIVFQSYALFPTMTVFDNIAFGLKVKKVAPDVIKAKVSAVAAKIKISDQQLQRNVSELSGGQQQRVALARALVLEPKILCLDEPLSNLDAKLRVDLRKELKRLQKELGITTLYVTHDQEEALTLSDRIAVFNNGYIEQVGTPVEIYHNSQTEFVCDFIG--DINVLTDETVHEVLLKNTSVFLEDKKGYIRLEKVRFNRETKQDFILKGTIIDVEFSGVTIHYTIKVSESQILNVTSIDSQAAIRSVGESVELFITPSDVLQF 1VCI Chain:A ((13-257)) -VKLENLTKRFGNFTAVNKLNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTYLPPKDRNISMVFQ------HMTVYENIAFPL--KKFPKDEIDKRVRWAAELLQI-EELLNRYPAQLSGGQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQVEAMTMGDRIAVMNRGQLLQIGSPTEVYLRPNSVFVATFIGAPEMNIL-------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VCI.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 : 1185 -153379 -129.43 -669.78 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -129.43 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_1VCI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VCI-query.scw PDB file : Tito_Scwrl_1VCI.pdb: