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Suppporting information for “Lipid induced conformational transition of Amyloid beta peptide fragments”

N. Sureshbabua, R. Kirubagaranb, H. Thangarajahc, E.J. Padma Malard, R. Jayakumara*

a -Bio-Organic & Neurochemistry Laboratory, Central Leather Research Institute, Adyar, Chennai-600 020, India.

b - National Institute of Ocean Technology, Velacherry-Tambaram Main Road, Pallikaranai , Chennai-601302, India.

c- Stanford University, School of Medicine, Stanford, California 94305, USA

d - National Center for Ultrafast Processes, University of Madras, Taramani Campus, Chennai- 600113, India.

Table S1: CD Molar elllipticity values at 198 and 218 nm for Aβ(16-28) and its mutants in the presence and absence of lipids. Molar ellipiticity values were obtained from CD data shown in Figure 1-3 in main text

Aβ(16-28) / A21G / A21G / E22Q / E22G
Days / 198 nm / 218 nm / 198 nm / 218 nm / 198 nm / 218 nm / 198 nm / 218 nm / 198 nm / 218 nm
Solution / 0 / -26949 / -1989 / -36102 / -2631 / -30714 / -944 / -29575 / -2519 / -26231 / -2088
1 / -25848 / -2414 / -31382 / -4295 / -23688 / -1217 / -26968 / -3223 / -19740 / -2435
2 / -242 / -6967 / -21640 / -4432 / -17782 / -1219 / -13376 / -3386 / -9024 / -4015
3 / 1210 / -10199 / -5415 / -5415 / -13312 / -2322 / 3353 / -6194 / 1901 / -5487
4 / 10207 / -13397 / 2483 / -7329 / 941 / -4417 / 6516 / -10616 / 9971 / -7995
5 / 14603 / -13075 / 9771 / -11726 / 8551 / -12232 / 10596 / -10672 / 10620 / -10648
DPPG / 0 / -13366 / -4103 / -32436 / -5746 / -28554 / -7476 / -9999 / -6387 / 6536 / -4466
1 / -5890 / -5968 / -6979 / -6300 / -7523 / -8294 / 2833 / -9195 / 9050 / -8361
2 / -2907 / -10347 / -3734 / -10609 / -4483 / -9638 / 6493 / -11165 / 14220 / -8990
3 / 6166 / -10347 / 6166 / -13133 / 7445 / -12752 / 11067 / -15098 / 14882 / -10443
4 / 6288 / -13948 / 7268 / -13948 / 8576 / -15344 / 12192 / -16890 / 15064 / -14407
5 / 12192 / -15098 / 7445 / -15344 / 12554 / -21101 / 12759 / -20674 / 19762 / -16525
DPPC / 0 / -19740 / -2088 / -34531 / -7734 / -21893 / -2964 / -27528 / -7341 / -18290 / -6650
1 / -5054 / -4295 / -4483 / -9638 / -4662 / -4774 / -5446 / -7502 / -2484 / -7069
2 / 7978 / -9080 / 7978 / -13905 / -3056 / -6060 / 7560 / -13226 / -3734 / -13133
3 / 9080 / -10443 / 12907 / -16525 / 6166 / -8990 / 12192 / -15098 / 11951 / -16212
4 / 12030 / -13905 / 12554 / -21101 / 6493 / -11165 / 12759 / -20674 / 12472 / -19853
5 / 17134 / -16666 / 14882 / -22971 / 6536 / -13948 / 17759 / -24870 / 12976 / -23292

Table S2: Average p value for A (16-28) in solution compared to DPPG and DPPC obtained from figure 4-6.

A (16-28) / P(T<=t) / day 0 / day 1 / day 2 / day 3 / day 4 / day 5
Solution:DPPG
198 nm / one-tail / 2.21E-07 / 2.97E-06 / 2.35E-05 / 1.76E-06 / 1.71E-05 / 0.000344
two-tail / 4.42E-07 / 5.93E-06 / 4.69E-05 / 3.52E-06 / 3.43E-05 / 0.000689
Solution:DPPC
198 nm / one-tail / 7.94E-06 / 8.96E-07 / 8.07E-07 / 5.51E-06 / 0.332665 / 0.000273
two-tail / 1.59E-05 / 1.79E-06 / 1.61E-06 / 1.1E-05 / 0.66533 / 0.000547
Solution:DPPG
218 nm / one-tail / 1.97E-05 / 1.89E-05 / 9.92E-06 / 0.039989 / 0.000208 / 0.000596
two-tail / 3.93E-05 / 3.78E-05 / 1.98E-05 / 0.079978 / 0.000417 / 0.001192
Solution:DPPC
218 nm / one-tail / 0.006364 / 1.39E-05 / 2.66E-05 / 0.000427 / 0.003767 / 8.49E-05
two-tail / 0.012728 / 2.78E-05 / 5.33E-05 / 0.000853 / 0.007533 / 0.00017

Table S3: Average p value for A21G mutant in solution compared to DPPG and DPPC obtained from figure 4-6.

A21G / P(T<=t) / day 0 / day 1 / day 2 / day 3 / day 4 / day 5
(Solution:DPPG)
198 nm / one-tail / 0.000427 / 2.92E-07 / 2.63E-06 / 5.38E-07 / 1.25E-06 / 3.04E-05
two-tail / 0.000854 / 5.84E-07 / 5.27E-06 / 1.08E-06 / 2.5E-06 / 6.08E-05
(Solution:DPPC)
198 nm / one-tail / 1.34E-05 / 1.9E-08 / 1.18E-07 / 8.8E-07 / 7.38E-06 / 1.97E-05
two-tail / 2.68E-05 / 3.79E-08 / 2.36E-07 / 1.76E-06 / 1.48E-05 / 3.93E-05
(Solution:DPPG)
218 nm / one-tail / 3.14E-06 / 4.67E-05 / 1.43E-05 / 4.59E-06 / 1.26E-06 / 0.000103
two-tail / 6.28E-06 / 9.33E-05 / 2.87E-05 / 9.19E-06 / 2.53E-06 / 0.000206
(Solution:DPPC)
218 nm / one-tail / 6.04E-07 / 8.4E-06 / 2.07E-06 / 1.74E-06 / 2.09E-05 / 2.94E-06
two-tail / 1.21E-06 / 1.68E-05 / 4.15E-06 / 3.48E-06 / 4.17E-05 / 5.87E-06

Table S4: Average p value for E22K mutant in solution compared to DPPG and DPPC obtained from figure 4-6.

E22Q / P(T<=t) / day 0 / day 1 / day 2 / day 3 / day 4 / day 5
Solution:DPPG
198 nm / one-tail / 4.94E-07 / 2E-06 / 3.61E-06 / 3.4E-07 / 2.8E-05 / 6.44E-06
two-tail / 9.87E-07 / 3.99E-06 / 7.23E-06 / 6.8E-07 / 5.61E-05 / 1.29E-05
Solution:DPPC
198 nm / one-tail / 0.000702 / 8.22E-07 / 1.45E-07 / 4.33E-08 / 2.07E-05 / 1.36E-06
two-tail / 0.001403 / 1.64E-06 / 2.89E-07 / 8.67E-08 / 4.13E-05 / 2.72E-06
Solution:DPPG
218 nm / one-tail / 4.05E-07 / 1.71E-05 / 2.21E-07 / 3.08E-06 / 6.57E-05 / 1.99E-06
two-tail / 8.09E-07 / 3.42E-05 / 4.42E-07 / 6.17E-06 / 0.000131 / 3.99E-06
Solution:DPPC
218 nm / one-tail / 2.98E-05 / 1.69E-05 / 2.02E-05 / 0.000771 / 0.001305 / 2.31E-05
two-tail / 5.96E-05 / 3.39E-05 / 4.03E-05 / 0.001541 / 0.00261 / 4.61E-05
E22K / P(T<=t) / day 0 / day 1 / day 2 / day 3 / day 4 / day 5
Solution:DPPG
198 nm / one-tail / 1.74E-06 / 5.64E-06 / 5.67E-06 / 2.93E-06 / 4.21E-07 / 1.19E-06
two-tail / 3.47E-06 / 1.13E-05 / 1.13E-05 / 5.87E-06 / 8.41E-07 / 2.39E-06
Solution:DPPC
198 nm / one-tail / 2.22E-06 / 4.14E-06 / 7.16E-07 / 2.79E-06 / 1.01E-05 / 1.49E-06
two-tail / 4.45E-06 / 8.28E-06 / 1.43E-06 / 5.58E-06 / 2.01E-05 / 2.98E-06
Solution:DPPG
218 nm / one-tail / 2.23E-07 / 1.45E-05 / 1.79E-06 / 4.46E-07 / 7.45E-07 / 2.51E-05
two-tail / 4.45E-07 / 2.91E-05 / 3.57E-06 / 8.91E-07 / 1.49E-06 / 5.02E-05
Solution:DPPC
218 nm / one-tail / 0.000105 / 7.05E-06 / 9.22E-06 / 1.05E-07 / 1.51E-06 / 0.000413
two-tail / 0.00021 / 1.41E-05 / 1.84E-05 / 2.1E-07 / 3.01E-06 / 0.000825

Table S5: Average p value for E22Q mutant in solution compared to DPPG and DPPC obtained from figure 4-6.

E22G / P(T<=t) / day 0 / day 1 / day 2 / day 3 / day 4 / day 5
Solution:DPPG
198 nm / one-tail / 6.88E-07 / 2.1E-08 / 2.66E-06 / 8.55E-06 / 3.61E-05 / 5.79E-07
two-tail / 1.38E-06 / 4.19E-08 / 5.33E-06 / 1.71E-05 / 7.21E-05 / 1.16E-06
Solution:DPPC
198 nm / one-tail / 1.64E-05 / 7.08E-07 / 1.84E-05 / 4.33E-06 / 0.000135 / 0.364952
two-tail / 3.28E-05 / 1.42E-06 / 3.68E-05 / 8.67E-06 / 0.000271 / 0.729903
Solution:DPPG
218 nm / one-tail / 9.8E-07 / 9.72E-06 / 4.32E-07 / 1.23E-06 / 1.46E-05 / 4.84E-05
two-tail / 1.96E-06 / 1.94E-05 / 8.64E-07 / 2.45E-06 / 2.91E-05 / 9.68E-05
Solution:DPPC
218 nm / one-tail / 2.35E-05 / 2.73E-06 / 1.35E-05 / 6.94E-08 / 3.88E-06 / 9.47E-08
two-tail / 4.71E-05 / 5.46E-06 / 2.7E-05 / 1.39E-07 / 7.76E-06 / 1.89E-07

Table S6: Average p value for E22G mutant in solution compared to DPPG and DPPC obtained from figure 4-6.