Table 3.

Secondary structure formation in >50% of trajectories for last 100 ns of simulations of 2A6.26, 2A6.35, 2A6.36, 2A6.37, 2A6.43, and 2A6.44 ^a.

	2A6.26	2A6.35	2A6.36	2A6.37	2A6.43	2A6.44
HA	54–65	54–65	54–65	54–65	54–65	54–65
β1-1	68–73	68–73	68–73	68–73	68–73	68–73
β1-2	76–81	76–81	76–81	76–81	76–81	76–81
HB	84–91	84–91	84–91	84–91	84–91	84–91
β1-5	100–101	100–101	100–101	100–101	100–101	100–101
HB’	105–110	108–111	105–110	105–111	105–110	107–111
HC	124–138	121–139	121–138	122–137	122–138	121–137
HD	145–162	145–162	143–161	143–161	145–161	143–161
HE	171–186	171–186	171–186	171–186	171–186	171–186
HF	196–212	196–212	196–211	196–213	196–213	196–212
HF’	215–227	215–227	215–227	215–227	215–227	215–227
HG	233–256	233–257	233–256	233–256	233–257	233–256
HH	267–278	267–277	267–278	267–278	267–280	267–277
HI	288–319	288–319	288–319	288–319	288–297, 305–319	288–319
HJ	321–334	321–334	321–334	321–334	321–334	321–334
HJ’	343–347	343–348	343–347	343–347	343–346	343–348
HK	350–363	350–362	350–362	350–362	350–362	350–362
β1-4	372–373	372–373	372–373	372–373	372–373	372–373
β2-1	378–380	378–380	378–380	378–380	378–380	378–380
β2-2	383–385	383–385	383–385	383–385	383–385	383–385
β1-3	390–393	390–393	390–393	390–393	390–393	390–393
HK’	395–398	395–398	395–399	395–398	395–398	395–398
HK’’	413–416	413–416	413–416	413–416	413–416	413–416
HL	442–459	442–459	446–457	447–459	449–457	442–459
β3-1	460–463	460–464	460–464	460–463	460–463	460–463
HL’	468–470	468–470	468–470	470–472	468–470	468–470
β4-1	477–478	–	477–478	477–478	477–478	477–478
β4-2	482–483	–	482–483	482–483	482–483	482–483
β3-2	489–493	489–493	489–493	489–493	489–493	489–493

^a HX shows helix X, and β shows β-strand formation moiety.