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. Author manuscript; available in PMC: 2008 Mar 1.
Published in final edited form as: J Struct Biol. 2006 Oct 11;157(3):491–499. doi: 10.1016/j.jsb.2006.10.001

Table 4.

Information on identified predictive residue pairs for Protein A (formatted as in Table 3).

200 ps 1000 ps 2000 ps 5000 ps
H1 Gln2-Phe6, Gln3-Ile9; 4257, 643; 78%; 0.30±0.14 Å Gln3-Phe6, Ala5-Lys42; 4257, 642; 65%; 0.49±0.28 Å Gln3-Tyr7, Leu27-Lys28; 4257, 626; 58%; 0.17±0.10 Å Gln2-Leu10, Asn4-Hid11; 4253, 581; 57%; 0.33±0.18 Å
H2 Glu18-Lys28, Ile24-Leu27; 3164, 1136; 79%; 0.30±0.17 Å Leu15-Ser32, Phe23-Leu27; 3164, 867; 70%; 0.45±0.23 Å Gln19-Lys28, Ile24-Leu27; 3164, 780; 68%; 0.26±0.15 Å Phe23-Lys28, Ala35-Leu44; 3162, 629; 63%; 0.27±0.18 Å
H3 Asp30-Lys43, Ala39-Leu44; 3699, 601; 83%; 0.43±0.24 Å Leu27-Leu44, Ala39-Leu44; 3699, 568; 76%; 0.53±0.28 Å Ala35-Leu38, Ala39-Lys43; 3699, 533; 76%; 0.25±0.13 Å Asn36-Lys42, Glu40-Asn45; 3696, 446; 72%; 0.30±0.16 Å