{"id":423,"date":"2014-10-15T13:30:16","date_gmt":"2014-10-15T13:30:16","guid":{"rendered":"https:\/\/pbwww.che.sbg.ac.at\/?page_id=423"},"modified":"2021-02-13T17:22:50","modified_gmt":"2021-02-13T16:22:50","slug":"maestro-data-sets","status":"publish","type":"page","link":"https:\/\/pbwww.services.came.sbg.ac.at\/?page_id=423","title":{"rendered":"MAESTRO Data sets"},"content":{"rendered":"

DATA SETS<\/h2>\n

Data sets used in the study and detailed validation results. The respective PDB files are accessible as zip archives in column “STRUCTURES”.<\/p>\n\n\n\n\n\n\n\n\n\n\n\n
<\/caption>\n
Dataset<\/span><\/strong><\/th>\nSize<\/span><\/strong><\/th>\nStructures<\/span><\/strong><\/th>\nPrediction<\/span><\/strong><\/th>\nValidation<\/span><\/strong><\/th>\nSource\/Ref.<\/span><\/strong><\/th>\n<\/tr>\n
SP1<\/a><\/td>\n2648 single point <\/span>mutations<\/td>\n 131<\/a><\/td>\n\u0394\u0394G<\/td>\n5<\/span>-fold cross validation<\/a><\/td>\nDehouck et al., 2009<\/a><\/td>\n<\/tr>\n
SP2<\/a><\/td>\n350 single point <\/span>mutations<\/td>\n67<\/a><\/td>\n\u0394\u0394G<\/td>\nperformance test<\/a><\/td>\nDehouck et al., 2009<\/a><\/td>\n<\/tr>\n
SP3<\/a><\/td>\n1925 single point <\/span>mutations<\/td>\n55 <\/a><\/td>\n\u0394\u0394G<\/td>\n20<\/span>-fold cross validation<\/a><\/td>\nMasso et al., 2008<\/a>; Capriotti et al., 2005<\/a><\/td>\n<\/tr>\n
SP4<\/a><\/td>\n1765 single point <\/span>mutations<\/td>\n98<\/a><\/td>\n\u0394\u0394G<\/td>\n10<\/span>-fold cross validation<\/a><\/td>\nProTherm DB<\/a><\/td>\n<\/tr>\n
MP<\/a><\/td>\n479 <\/span>multi point mutations<\/td>\n57<\/a><\/td>\n\u0394\u0394G<\/td>\n10<\/span>-fold cross validation<\/a><\/td>\nProTherm DB<\/a><\/td>\n<\/tr>\n
SS1<\/a><\/td>\n75<\/span> disulfide bonds<\/td>\n75<\/a><\/td>\nS-S bond<\/td>\nperformance test<\/a><\/td>\nSalam et al., 2014<\/a><\/td>\n<\/tr>\n
<\/td>\nminimized structures<\/td>\n 75<\/a><\/td>\nS-S bond<\/td>\nperformance test<\/a><\/td>\n(Salam et al., 2014<\/a>)*<\/td>\n<\/tr>\n
SS2<\/a><\/td>\n15 <\/span>engineered disulfide bonds<\/td>\n13<\/a><\/td>\nS-S bond<\/td>\nperformance test<\/a><\/td>\nSalam et al., 2014<\/a><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

The meaning of the sign of a \u2206\u2206G varies from data set to data set. We defined negative \u2206\u2206G as an increase in the stability of a protein, while positive values indicates a destabilization and adopted all data sets to this definition.<\/p>\n

*) The models (minimized structure) used in Salam et al. 2014 were not available. Therefore, we applied a comparable procedure and provide the resulting structures here.<\/p>\n","protected":false},"excerpt":{"rendered":"

DATA SETS Data sets used in the study and detailed validation results. The respective PDB files are accessible as zip archives in column “STRUCTURES”. Dataset Size Structures Prediction Validation Source\/Ref. SP1 2648 single point mutations 131 \u0394\u0394G 5-fold cross validation Dehouck et al., 2009 SP2 350 single point mutations 67 \u0394\u0394G performance test Dehouck et … Continue reading MAESTRO Data sets<\/span> →<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"_links":{"self":[{"href":"https:\/\/pbwww.services.came.sbg.ac.at\/index.php?rest_route=\/wp\/v2\/pages\/423"}],"collection":[{"href":"https:\/\/pbwww.services.came.sbg.ac.at\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/pbwww.services.came.sbg.ac.at\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/pbwww.services.came.sbg.ac.at\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/pbwww.services.came.sbg.ac.at\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=423"}],"version-history":[{"count":29,"href":"https:\/\/pbwww.services.came.sbg.ac.at\/index.php?rest_route=\/wp\/v2\/pages\/423\/revisions"}],"predecessor-version":[{"id":787,"href":"https:\/\/pbwww.services.came.sbg.ac.at\/index.php?rest_route=\/wp\/v2\/pages\/423\/revisions\/787"}],"wp:attachment":[{"href":"https:\/\/pbwww.services.came.sbg.ac.at\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=423"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}