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. 2010 Jan 6;5(1):e8591. doi: 10.1371/journal.pone.0008591

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This is an open-access article distributed under the terms of the Creative Commons Public Domain declaration which stipulates that, once placed in the public domain, this work may be freely reproduced, distributed, transmitted, modified, built upon, or otherwise used by anyone for any lawful purpose.

This is an open-access article distributed under the terms of the Creative Commons Public Domain declaration, which stipulates that, once placed in the public domain, this work may be freely reproduced, distributed, transmitted, modified, built upon, or otherwise used by anyone for any lawful purpose.

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Structural properties such as solvent accessibility (panel A), type of secondary structures (panel B) and hydrogen bonds (panel C) were calculated for coevolved sites. Solvent accessibility (Buried: Bur; Accessible: Acc) was measured using the PSA program from JOY package [44]. Within the coevolved site pairs, if both residues are buried or accessible, they are shown as ‘Bur-Bur’ or ‘Acc-Acc’, respectively. Secondary structure [helix (H), strand (E) and coil (C)] distribution for coevolved residue pairs is shown in panel B. Hydrogen bonding patterns were estimated using the HBOND programs from the JOY package. ‘HBDY-HBDY’ and ‘HBDX-HBDX’ indicate cases where both coevolved residues are involved or not involved in hydrogen bonding correspondingly. ‘HBDX-HBDY/HBDY-HBDX’ indicates cases where at least one residue is involved in hydrogen bonding. Values in the parenthesis show mean and standard error of estimated from the distribution of structural property values for randomly selected non-coevolved residue pairs (5 randomizations were performed).