{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,26]],"date-time":"2026-02-26T15:13:58Z","timestamp":1772118838783,"version":"3.50.1"},"reference-count":42,"publisher":"Wiley","issue":"11","license":[{"start":{"date-parts":[[2020,7,4]],"date-time":"2020-07-04T00:00:00Z","timestamp":1593820800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Proteins"],"published-print":{"date-parts":[[2020,11]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>\n                    Structural characterization of alternatively folded and partially disordered protein conformations remains challenging. Outer surface protein A (OspA) is a pivotal protein in\n                    <jats:italic>Borrelia<\/jats:italic>\n                    infection, which is the etiological agent of Lyme disease. OspA exists in equilibrium with intermediate conformations, in which the central and the C\u2010terminal regions of the protein have lower stabilities than the N\u2010terminal. Here, we characterize pressure\u2010 and temperature\u2010stabilized intermediates of OspA by nuclear magnetic resonance spectroscopy combined with paramagnetic relaxation enhancement (PRE). We found that although the C\u2010terminal region of the intermediate was partially disordered, it retains weak specific contact with the N\u2010terminal region, owing to a twist of the central \u03b2\u2010sheet and increased flexibility in the polypeptide chain. The disordered C\u2010terminal region of the pressure\u2010stabilized intermediate was more compact than that of the temperature\u2010stabilized form. Further, molecular dynamics simulation demonstrated that temperature\u2010induced disordering of the \u03b2\u2010sheet was initiated at the C\u2010terminal region and continued through to the central region. An ensemble of simulation snapshots qualitatively described the PRE data from the intermediate and indicated that the intermediate structures of OspA may expose tick receptor\u2010binding sites more readily than does the basic folded conformation.\n                  <\/jats:p>","DOI":"10.1002\/prot.25962","type":"journal-article","created":{"date-parts":[[2020,6,10]],"date-time":"2020-06-10T00:27:27Z","timestamp":1591748847000},"page":"1423-1433","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Dynamic aspects of pressure and temperature\u2010stabilized intermediates of outer surface protein A"],"prefix":"10.1002","volume":"88","author":[{"given":"Takuro","family":"Wakamoto","sequence":"first","affiliation":[{"name":"Graduate School of Life Sciences Ritsumeikan University  Kusatsu Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Soichiro","family":"Kitazawa","sequence":"additional","affiliation":[{"name":"College of Pharmaceutical Sciences Ritsumeikan University  Kusatsu Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tomoshi","family":"Kameda","sequence":"additional","affiliation":[{"name":"Artificial Intelligence Research Center National Institute of Advanced Industrial Science and Technology (AIST)  Tokyo Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1815-3227","authenticated-orcid":false,"given":"Ryo","family":"Kitahara","sequence":"additional","affiliation":[{"name":"Graduate School of Life Sciences Ritsumeikan University  Kusatsu Japan"},{"name":"College of Pharmaceutical Sciences Ritsumeikan University  Kusatsu 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