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Representative conformation of the salt-bridge structure relevant for the protofibrils. Asp23 to Lys28 salt-bridge (shown by red dotted line between aqua amino acids) found in 7% of the TIP4P-Ew ensemble and Ala21 HB to Val24 HG (both in light blue) van der Waals contacts which give rise to the strongest observed ROE interaction.
