A0A5K4F4L7_SCHMA Loading...

Metallophos domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4L7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 671 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	42.6	Very low	198 Å²	198	116.1 Å²	116.1	98%	0.975	57%	0.565	S	S	*	*				0	0.9	0	-136.7	171.9	117.7	0	0	114.7	G3	M1-G3 VanDerWaalsContact C-N 3.28Å
2	F	32.6	Very low	43.3	Very low	158 Å²	158	109.9 Å²	109.9	69%	0.693	54%	0.536	S	S	*	.			trans	-70.8	-19.4	167.5	-88.9	-92.4	0	0	0	113.5	R4 F6	F2-R4 PolarHBondContact O-N 2.9Å; F2-F6 VanDerWaalsContact O-CB 3.3Å; F2-F6 WeakPolarHBondContact O-CB 3.13Å; F2-F6 PolarHBondContact O-N 3.27Å
3	G	38.9	Very low	44.4	Very low	53 Å²	53	108.5 Å²	108.5	55%	0.546	53%	0.532	S	S	.	.	H	α-helix	trans	-69.7	-23.5	-171.5	0	0	0	0	0	117.3	M1 F7	M1-G3 VanDerWaalsContact C-N 3.28Å; G3-F7 WeakPolarHBondContact O-CB 3.03Å; G3-F7 PolarHBondContact O-N 3.37Å
4	R	39.2	Very low	45.3	Very low	209 Å²	209	108.3 Å²	108.3	79%	0.789	53%	0.533	S	S	*	.	H	α-helix	trans	-90.2	-36.3	-173.1	-72.5	-173.3	176.5	-176	-0.5	114.7	F2 F8	F2-R4 PolarHBondContact O-N 2.9Å; R4-F8 WeakPolarHBondContact O-CD2 3.41Å
5	S	38.1	Very low	45.7	Very low	77 Å²	77	103.3 Å²	103.3	54%	0.538	51%	0.513	S	S	.	.	H	α-helix	trans	-76.4	-30	170.9	-62.2	0	0	0	0	111.8	F9	S5-F9 PolarHBondContact O-N 3.37Å
6	F	42.8	Very low	46.3	Very low	155 Å²	155	106.8 Å²	106.8	68%	0.68	52%	0.518	S	S	*	.	H	α-helix	trans	-63.1	-44	171.5	-157.3	-97.4	0	0	0	110.5	F2 F8 F9 S10	F2-F6 VanDerWaalsContact O-CB 3.3Å; F2-F6 WeakPolarHBondContact O-CB 3.13Å; F2-F6 PolarHBondContact O-N 3.27Å; F6-F8 PolarHBondContact O-N 3.07Å; F6-F9 PolarHBondContact O-N 3.02Å; F6-S10 WeakPolarHBondContact O-CB 3.35Å; F6-S10 PolarHBondContact O-N 3.32Å; F6-S10 PolarHBondContact O-OG 2.87Å
7	F	44.5	Very low	46.9	Very low	119 Å²	119	102.9 Å²	102.9	52%	0.522	51%	0.505	S	S	.	.	H	α-helix	trans	-53.8	-47.6	-179.9	-171.7	-105.7	0	0	0	114.2	G3 S10 I11	G3-F7 WeakPolarHBondContact O-CB 3.03Å; G3-F7 PolarHBondContact O-N 3.37Å; F7-S10 WeakPolarHBondContact CA-OG 3.47Å; F7-S10 PolarHBondContact O-N 3.21Å; F7-S10 PolarHBondContact O-OG 2.97Å; F7-I11 HydrophobicContact CD1-CD1 3.78Å; F7-I11 HydrophobicContact CE1-CD1 3.43Å; F7-I11 VanDerWaalsContact CE1-CD1 3.43Å; F7-I11 HydrophobicContact CG-CD1 4.48Å; F7-I11 HydrophobicContact CZ-CD1 3.84Å; F7-I11 WeakPolarHBondContact O-CG1 3.45Å; F7-I11 PolarHBondContact O-N 3.41Å
8	F	43.4	Very low	47.2	Very low	76 Å²	76	101 Å²	101	33%	0.333	50%	0.502	S	S	.	.	H	α-helix	trans	-72.4	-37.8	179.8	-77.3	-78.3	0	0	0	113.1	R4 F6 S10 I11 L12 T462 L469	R4-F8 WeakPolarHBondContact O-CD2 3.41Å; F6-F8 PolarHBondContact O-N 3.07Å; F8-S10 VanDerWaalsContact C-N 3.31Å; F8-I11 PolarHBondContact O-N 3.01Å; F8-L12 PolarHBondContact O-N 2.84Å; F8-L12 VanDerWaalsContact O-N 3.11Å; F8-T462 HydrophobicContact CD1-CG2 4.16Å; F8-L469 HydrophobicContact CD2-CD1 4.29Å; F8-L469 HydrophobicContact CE2-CD1 4.21Å
9	F	47.9	Very low	47.6	Very low	151 Å²	151	97.3 Å²	97.3	66%	0.662	48%	0.484	S	S	*	.	H	α-helix	trans	-67.2	-35.9	174.2	-129.9	-90.1	0	0	0	111.1	S5 F6 L12 I13	S5-F9 PolarHBondContact O-N 3.37Å; F6-F9 PolarHBondContact O-N 3.02Å; F9-L12 PolarHBondContact O-N 2.8Å; F9-I13 HydrophobicContact CD1-CD1 3.83Å; F9-I13 HydrophobicContact CD1-CG1 4.32Å; F9-I13 HydrophobicContact CE1-CD1 4.49Å; F9-I13 WeakPolarHBondContact O-CB 3.5Å; F9-I13 VanDerWaalsContact O-CG1 3.22Å; F9-I13 WeakPolarHBondContact O-CG1 3.16Å; F9-I13 PolarHBondContact O-N 2.87Å
10	S	50.2	Low	48	Very low	34 Å²	34	99 Å²	99	24%	0.238	49%	0.488	C	S	.	.	H	α-helix	trans	-69	-31.3	173.8	47.7	0	0	0	0	112.8	F6 F7 F8 L14	F6-S10 WeakPolarHBondContact O-CB 3.35Å; F6-S10 PolarHBondContact O-N 3.32Å; F6-S10 PolarHBondContact O-OG 2.87Å; F7-S10 WeakPolarHBondContact CA-OG 3.47Å; F7-S10 PolarHBondContact O-N 3.21Å; F7-S10 PolarHBondContact O-OG 2.97Å; F8-S10 VanDerWaalsContact C-N 3.31Å; S10-L14 WeakPolarHBondContact O-CB 3.42Å; S10-L14 WeakPolarHBondContact O-CD1 3.04Å; S10-L14 WeakPolarHBondContact O-CG 3.34Å; S10-L14 PolarHBondContact O-N 3.26Å
11	I	52.9	Low	48.4	Very low	47 Å²	47	99.5 Å²	99.5	24%	0.241	49%	0.492	C	S	.	.	H	α-helix	trans	-68.6	-46.3	173	-71.4	165.5	0	0	0	110.8	F7 F8 L14 C15 I458	F7-I11 HydrophobicContact CD1-CD1 3.78Å; F7-I11 HydrophobicContact CE1-CD1 3.43Å; F7-I11 VanDerWaalsContact CE1-CD1 3.43Å; F7-I11 HydrophobicContact CG-CD1 4.48Å; F7-I11 HydrophobicContact CZ-CD1 3.84Å; F7-I11 WeakPolarHBondContact O-CG1 3.45Å; F7-I11 PolarHBondContact O-N 3.41Å; F8-I11 PolarHBondContact O-N 3.01Å; I11-L14 PolarHBondContact O-N 2.81Å; I11-C15 WeakPolarHBondContact O-CB 3.5Å; I11-C15 PolarHBondContact O-N 3Å; I11-C15 PolarHBondContact O-SG 2.71Å; I11-C15 VanDerWaalsContact O-SG 3.38Å; I11-I458 HydrophobicContact CG2-CD1 4.15Å
12	L	50.7	Low	49	Very low	42 Å²	42	94.2 Å²	94.2	22%	0.22	47%	0.468	C	S	.	.	H	α-helix	trans	-61.5	-45.4	175.1	-105.3	136.3	0	0	0	111.1	F8 F9 L14 C15 W16 I458 T462	F8-L12 PolarHBondContact O-N 2.84Å; F8-L12 VanDerWaalsContact O-N 3.11Å; F9-L12 PolarHBondContact O-N 2.8Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 2.72Å; L12-C15 PolarHBondContact O-N 3.24Å; L12-W16 WeakPolarHBondContact O-CB 3.16Å; L12-W16 PolarHBondContact O-N 3.3Å; L12-I458 HydrophobicContact CD1-CG2 4.34Å; L12-I458 HydrophobicContact CG-CG2 4.4Å; L12-T462 HydrophobicContact CD1-CG2 4.28Å
13	I	58.2	Low	49.7	Very low	92 Å²	92	90.6 Å²	90.6	47%	0.472	46%	0.455	S	S	.	.	H	α-helix	trans	-60.4	-44.2	173.3	-71.3	167.3	0	0	0	110.2	F9 W16 S17	F9-I13 HydrophobicContact CD1-CD1 3.83Å; F9-I13 HydrophobicContact CD1-CG1 4.32Å; F9-I13 HydrophobicContact CE1-CD1 4.49Å; F9-I13 WeakPolarHBondContact O-CB 3.5Å; F9-I13 VanDerWaalsContact O-CG1 3.22Å; F9-I13 WeakPolarHBondContact O-CG1 3.16Å; F9-I13 PolarHBondContact O-N 2.87Å; I13-W16 CarbonylContact O-C 3.59Å; I13-W16 PolarHBondContact O-N 2.71Å; I13-S17 WeakPolarHBondContact O-CA 3.25Å; I13-S17 WeakPolarHBondContact O-CB 3.19Å; I13-S17 PolarHBondContact O-N 2.78Å; I13-S17 PolarHBondContact O-OG 3.23Å
14	L	56.8	Low	50.1	Low	105 Å²	105	92.2 Å²	92.2	55%	0.55	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-41.9	178.6	-83.3	160.4	0	0	0	112.1	S10 I11 L12 S17 C18	S10-L14 WeakPolarHBondContact O-CB 3.42Å; S10-L14 WeakPolarHBondContact O-CD1 3.04Å; S10-L14 WeakPolarHBondContact O-CG 3.34Å; S10-L14 PolarHBondContact O-N 3.26Å; I11-L14 PolarHBondContact O-N 2.81Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 2.72Å; L14-S17 CarbonylContact O-C 3.55Å; L14-S17 PolarHBondContact O-N 3.05Å; L14-C18 WeakPolarHBondContact O-CB 3.39Å; L14-C18 PolarHBondContact O-N 3.39Å; L14-C18 PolarHBondContact O-SG 3.39Å
15	C	51.9	Low	50.6	Low	34 Å²	34	85.2 Å²	85.2	23%	0.23	43%	0.434	C	S	.	.	H	α-helix	trans	-64.2	-48.4	175.2	-71.4	0	0	0	0	111.1	I11 L12 S17 C18 I19	I11-C15 WeakPolarHBondContact O-CB 3.5Å; I11-C15 PolarHBondContact O-N 3Å; I11-C15 PolarHBondContact O-SG 2.71Å; I11-C15 VanDerWaalsContact O-SG 3.38Å; L12-C15 PolarHBondContact O-N 3.24Å; C15-S17 VanDerWaalsContact C-N 3.28Å; C15-S17 PolarHBondContact O-N 2.86Å; C15-C18 PolarHBondContact O-N 3.33Å; C15-I19 VanDerWaalsContact O-CG1 3.3Å; C15-I19 WeakPolarHBondContact O-CG1 3.5Å; C15-I19 PolarHBondContact O-N 2.66Å
16	W	55.2	Low	50.8	Low	159 Å²	159	82.4 Å²	82.4	60%	0.602	41%	0.413	S	S	*	.	H	α-helix	trans	-63.5	-34.3	173.9	-81.8	100.2	0	0	0	112.2	L12 I13 F20	L12-W16 WeakPolarHBondContact O-CB 3.16Å; L12-W16 PolarHBondContact O-N 3.3Å; I13-W16 CarbonylContact O-C 3.59Å; I13-W16 PolarHBondContact O-N 2.71Å; W16-F20 WeakPolarHBondContact O-CA 3.37Å; W16-F20 WeakPolarHBondContact O-CB 3.3Å; W16-F20 PolarHBondContact O-N 3.48Å
17	S	56	Low	50.7	Low	41 Å²	41	79.3 Å²	79.3	29%	0.287	41%	0.41	S	S	.	.	H	α-helix	trans	-70.1	-38.9	176.1	-57.8	0	0	0	0	110.8	I13 L14 C15 F20 I21	I13-S17 WeakPolarHBondContact O-CA 3.25Å; I13-S17 WeakPolarHBondContact O-CB 3.19Å; I13-S17 PolarHBondContact O-N 2.78Å; I13-S17 PolarHBondContact O-OG 3.23Å; L14-S17 CarbonylContact O-C 3.55Å; L14-S17 PolarHBondContact O-N 3.05Å; C15-S17 VanDerWaalsContact C-N 3.28Å; C15-S17 PolarHBondContact O-N 2.86Å; S17-F20 CarbonylContact O-C 3.51Å; S17-F20 PolarHBondContact O-N 2.66Å; S17-I21 WeakPolarHBondContact O-CA 3.45Å; S17-I21 WeakPolarHBondContact O-CB 3.34Å; S17-I21 WeakPolarHBondContact O-CD1 3.47Å; S17-I21 WeakPolarHBondContact O-CG1 3.33Å; S17-I21 PolarHBondContact O-N 2.87Å
18	C	52.2	Low	50.2	Low	68 Å²	68	78 Å²	78	46%	0.459	42%	0.415	S	S	.	.	H	α-helix	trans	-69.6	-39.6	176.2	-69	0	0	0	0	111.2	L14 C15 N22	L14-C18 WeakPolarHBondContact O-CB 3.39Å; L14-C18 PolarHBondContact O-N 3.39Å; L14-C18 PolarHBondContact O-SG 3.39Å; C15-C18 PolarHBondContact O-N 3.33Å; C18-N22 WeakPolarHBondContact O-CB 3.35Å; C18-N22 PolarHBondContact O-N 3.43Å; C18-N22 PolarHBondContact O-ND2 2.79Å
19	I	55.1	Low	50.1	Low	31 Å²	31	79.6 Å²	79.6	16%	0.159	44%	0.436	C	S	.	.	H	α-helix	trans	-64.2	-44.8	172.3	-66.9	166.5	0	0	0	109.7	C15 N22 L23 T455	C15-I19 VanDerWaalsContact O-CG1 3.3Å; C15-I19 WeakPolarHBondContact O-CG1 3.5Å; C15-I19 PolarHBondContact O-N 2.66Å; I19-N22 PolarHBondContact O-N 2.93Å; I19-L23 HydrophobicContact CG2-CD1 3.89Å; I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 VanDerWaalsContact O-CG 3.22Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.01Å; I19-T455 HydrophobicContact CD1-CG2 4.48Å
20	F	55.2	Low	49.8	Very low	130 Å²	130	76 Å²	76	57%	0.57	43%	0.426	S	S	*	.	H	α-helix	trans	-69.9	-35.8	179.7	-169.9	-112.5	0	0	0	112.9	W16 S17 L23 L24	W16-F20 WeakPolarHBondContact O-CA 3.37Å; W16-F20 WeakPolarHBondContact O-CB 3.3Å; W16-F20 PolarHBondContact O-N 3.48Å; S17-F20 CarbonylContact O-C 3.51Å; S17-F20 PolarHBondContact O-N 2.66Å; F20-L23 CarbonylContact O-C 3.51Å; F20-L23 WeakPolarHBondContact O-CB 3.47Å; F20-L23 PolarHBondContact O-N 3.17Å; F20-L24 HydrophobicContact CD1-CD1 3.33Å; F20-L24 HydrophobicContact CD2-CD1 4.41Å; F20-L24 HydrophobicContact CE1-CD1 3.05Å; F20-L24 HydrophobicContact CE1-CG 4.46Å; F20-L24 HydrophobicContact CE2-CD1 4.19Å; F20-L24 HydrophobicContact CG-CD1 4.02Å; F20-L24 HydrophobicContact CZ-CD1 3.52Å; F20-L24 WeakPolarHBondContact O-CB 3.5Å; F20-L24 PolarHBondContact O-N 3.35Å
21	I	56.4	Low	49.2	Very low	110 Å²	110	78.9 Å²	78.9	56%	0.564	45%	0.452	S	S	*	.	H	α-helix	trans	-69.8	-40.9	174.4	-73	163	0	0	0	110	S17 L23 L24 S25	S17-I21 WeakPolarHBondContact O-CA 3.45Å; S17-I21 WeakPolarHBondContact O-CB 3.34Å; S17-I21 WeakPolarHBondContact O-CD1 3.47Å; S17-I21 WeakPolarHBondContact O-CG1 3.33Å; S17-I21 PolarHBondContact O-N 2.87Å; I21-L23 VanDerWaalsContact C-N 3.32Å; I21-L24 PolarHBondContact O-N 2.88Å; I21-S25 WeakPolarHBondContact O-CB 3.32Å; I21-S25 PolarHBondContact O-N 3.38Å
22	N	50.7	Low	48.7	Very low	87 Å²	87	81.3 Å²	81.3	47%	0.465	46%	0.461	S	S	.	.	H	α-helix	trans	-60	-45.6	169.3	-84.8	-55.5	0	0	0	110.2	C18 I19 L24 S25 L26	C18-N22 WeakPolarHBondContact O-CB 3.35Å; C18-N22 PolarHBondContact O-N 3.43Å; C18-N22 PolarHBondContact O-ND2 2.79Å; I19-N22 PolarHBondContact O-N 2.93Å; N22-L24 VanDerWaalsContact C-N 3.31Å; N22-L24 PolarHBondContact O-N 2.68Å; N22-S25 PolarHBondContact O-N 2.76Å; N22-S25 PolarHBondContact O-OG 3.5Å; N22-L26 WeakPolarHBondContact O-CD1 3.39Å; N22-L26 PolarHBondContact O-N 2.68Å
23	L	48	Very low	47.8	Very low	83 Å²	83	88.4 Å²	88.4	44%	0.435	49%	0.493	S	S	.	.	H	α-helix	trans	-63.6	-28.2	174.3	-71.5	166.3	0	0	0	114.2	I19 F20 I21 L26	I19-L23 HydrophobicContact CG2-CD1 3.89Å; I19-L23 WeakPolarHBondContact O-CB 3.41Å; I19-L23 VanDerWaalsContact O-CG 3.22Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.01Å; F20-L23 CarbonylContact O-C 3.51Å; F20-L23 WeakPolarHBondContact O-CB 3.47Å; F20-L23 PolarHBondContact O-N 3.17Å; I21-L23 VanDerWaalsContact C-N 3.32Å; L23-L26 HydrophobicContact CD2-CD1 4.01Å; L23-L26 VanDerWaalsContact O-CB 3.31Å; L23-L26 WeakPolarHBondContact O-CB 3.46Å; L23-L26 PolarHBondContact O-N 3.14Å
24	L	46.4	Very low	47.1	Very low	87 Å²	87	85.6 Å²	85.6	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-82.2	-30.8	174.2	-103.2	131.3	0	0	0	112.1	F20 I21 N22 L26 S27	F20-L24 HydrophobicContact CD1-CD1 3.33Å; F20-L24 HydrophobicContact CD2-CD1 4.41Å; F20-L24 HydrophobicContact CE1-CD1 3.05Å; F20-L24 HydrophobicContact CE1-CG 4.46Å; F20-L24 HydrophobicContact CE2-CD1 4.19Å; F20-L24 HydrophobicContact CG-CD1 4.02Å; F20-L24 HydrophobicContact CZ-CD1 3.52Å; F20-L24 WeakPolarHBondContact O-CB 3.5Å; F20-L24 PolarHBondContact O-N 3.35Å; I21-L24 PolarHBondContact O-N 2.88Å; N22-L24 VanDerWaalsContact C-N 3.31Å; N22-L24 PolarHBondContact O-N 2.68Å; L24-L26 PolarHBondContact O-N 2.8Å; L24-S27 PolarHBondContact O-N 2.92Å; L24-S27 PolarHBondContact O-OG 3.44Å
25	S	49.4	Very low	45.9	Very low	62 Å²	62	92 Å²	92	43%	0.434	50%	0.497	S	S	.	.	H	α-helix	trans	-62.8	-20.3	169.1	81.5	0	0	0	0	111.6	I21 N22 S27 C28	I21-S25 WeakPolarHBondContact O-CB 3.32Å; I21-S25 PolarHBondContact O-N 3.38Å; N22-S25 PolarHBondContact O-N 2.76Å; N22-S25 PolarHBondContact O-OG 3.5Å; S25-S27 PolarHBondContact O-N 2.99Å; S25-C28 PolarHBondContact O-N 3.3Å
26	L	43.4	Very low	45.3	Very low	18 Å²	18	94.5 Å²	94.5	9%	0.094	52%	0.515	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.3	170.2	-84.6	116.5	0	0	0	114.3	N22 L23 L24 F435 K438 F439	N22-L26 WeakPolarHBondContact O-CD1 3.39Å; N22-L26 PolarHBondContact O-N 2.68Å; L23-L26 HydrophobicContact CD2-CD1 4.01Å; L23-L26 VanDerWaalsContact O-CB 3.31Å; L23-L26 WeakPolarHBondContact O-CB 3.46Å; L23-L26 PolarHBondContact O-N 3.14Å; L24-L26 PolarHBondContact O-N 2.8Å; L26-F435 HydrophobicContact CD2-CD2 4.12Å; L26-F435 HydrophobicContact CD2-CE2 3.68Å; L26-F435 HydrophobicContact CD2-CZ 4.23Å; L26-K438 VanDerWaalsContact C-NZ 3.29Å; L26-K438 HydrophobicContact CD2-CD 4.28Å; L26-K438 HydrophobicContact CD2-CG 4.13Å; L26-K438 WeakPolarHBondContact O-CE 3.39Å; L26-K438 PolarHBondContact O-NZ 3.36Å; L26-F439 HydrophobicContact CD1-CD2 4.49Å; L26-F439 HydrophobicContact CD2-CB 4.43Å; L26-F439 HydrophobicContact CD2-CD2 4.4Å
27	S	39.9	Very low	44.7	Very low	89 Å²	89	94.9 Å²	94.9	62%	0.622	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.7	179.4	56.9	0	0	0	0	114.6	L24 S25 S29	L24-S27 PolarHBondContact O-N 2.92Å; L24-S27 PolarHBondContact O-OG 3.44Å; S25-S27 PolarHBondContact O-N 2.99Å; S27-S29 PolarHBondContact O-N 3.18Å
28	C	35.2	Very low	43.8	Very low	91 Å²	91	98.4 Å²	98.4	62%	0.615	55%	0.547	S	S	*	.			trans	-83.4	107.6	177.2	-116.7	0	0	0	0	110.8	S25	S25-C28 PolarHBondContact O-N 3.3Å
29	S	40.2	Very low	43.6	Very low	111 Å²	111	102.9 Å²	102.9	78%	0.776	56%	0.561	S	S	*	*			trans	-78.5	114.4	162.5	-43	0	0	0	0	107.5	S27 A31	S27-S29 PolarHBondContact O-N 3.18Å; S29-A31 PolarHBondContact O-N 3.39Å; S29-A31 VanDerWaalsContact O-N 3.13Å
30	V	42.4	Very low	43.5	Very low	74 Å²	74	108.3 Å²	108.3	45%	0.448	59%	0.59	S	S	.	*			trans	-77.4	103.6	175.2	-170.4	0	0	0	0	107.9	F32	V30-F32 HydrophobicContact CB-CD2 4.34Å; V30-F32 HydrophobicContact CB-CE2 4.09Å; V30-F32 HydrophobicContact CG1-CD2 3.62Å; V30-F32 HydrophobicContact CG1-CE1 4.32Å; V30-F32 HydrophobicContact CG1-CE2 3.32Å; V30-F32 HydrophobicContact CG1-CG 4.26Å; V30-F32 HydrophobicContact CG1-CZ 3.72Å; V30-F32 PolarHBondContact O-N 2.85Å
31	A	37.9	Very low	44.1	Very low	96 Å²	96	106.8 Å²	106.8	79%	0.793	59%	0.588	S	S	*	*			trans	-80.4	106.6	167.2	0	0	0	0	0	107.9	S29	S29-A31 PolarHBondContact O-N 3.39Å; S29-A31 VanDerWaalsContact O-N 3.13Å
32	F	40.8	Very low	45.2	Very low	98 Å²	98	105.3 Å²	105.3	43%	0.43	58%	0.578	S	S	.	*			trans	-86.8	115.3	170.9	-82	-75.6	0	0	0	109.5	V30 V34	V30-F32 HydrophobicContact CB-CD2 4.34Å; V30-F32 HydrophobicContact CB-CE2 4.09Å; V30-F32 HydrophobicContact CG1-CD2 3.62Å; V30-F32 HydrophobicContact CG1-CE1 4.32Å; V30-F32 HydrophobicContact CG1-CE2 3.32Å; V30-F32 HydrophobicContact CG1-CG 4.26Å; V30-F32 HydrophobicContact CG1-CZ 3.72Å; V30-F32 PolarHBondContact O-N 2.85Å; F32-V34 HydrophobicContact CB-CG2 4.05Å
33	E	32.3	Very low	47.1	Very low	190 Å²	190	104.8 Å²	104.8	89%	0.888	58%	0.578	S	S	*	*			trans	-80	129.5	163.9	-149.7	174.7	-164.8	0	0	108.1
34	V	43.2	Very low	49.4	Very low	34 Å²	34	100.9 Å²	100.9	21%	0.206	56%	0.557	C	S	.	*			trans	-136	121.8	-170.2	-174.7	0	0	0	0	110.6	F32 R333	F32-V34 HydrophobicContact CB-CG2 4.05Å; V34-R333 HydrophobicContact CB-CG 4.24Å; V34-R333 HydrophobicContact CG1-CG 3.41Å; V34-R333 VanDerWaalsContact CG1-CG 3.41Å; V34-R333 HydrophobicContact CG2-CG 3.75Å
35	R	31.6	Very low	51.6	Low	240 Å²	240	99.4 Å²	99.4	91%	0.906	55%	0.549	S	S	*	.			trans	-74.5	128	167.6	-119.4	175.4	179.1	-176.2	-1	109.1
36	S	39.8	Very low	53.7	Low	86 Å²	86	97 Å²	97	60%	0.601	54%	0.535	S	S	*	.			trans	-68.8	131.9	176.9	63.9	0	0	0	0	110.6
37	L	42.7	Very low	56.1	Low	167 Å²	167	96.8 Å²	96.8	87%	0.874	54%	0.537	S	S	*	.			trans	-88.2	115.5	164.4	-78.7	163.5	0	0	0	107.1	H39	L37-H39 PolarHBondContact O-N 2.88Å
38	V	37.8	Very low	58.5	Low	115 Å²	115	93.9 Å²	93.9	70%	0.697	52%	0.518	S	S	*	.			trans	-70.5	111.6	-178.8	178.5	0	0	0	0	108.7
39	H	47	Very low	61.1	Low	162 Å²	162	92.1 Å²	92.1	75%	0.75	50%	0.501	S	S	*	.			trans	-133	117.6	169.7	-123.2	-13.1	0	0	0	109.7	L37	L37-H39 PolarHBondContact O-N 2.88Å
40	N	54	Low	63.7	Low	145 Å²	145	87.7 Å²	87.7	78%	0.775	47%	0.468	S	S	*	.			trans	25.1	92.5	173.9	-121	-3	0	0	0	115	K42 R339	N40-K42 PolarHBondContact O-N 3.13Å; N40-R339 PolarHBondContact O-NH2 2.74Å
41	D	66.2	Low	66.2	Low	97 Å²	97	85 Å²	85	52%	0.519	45%	0.452	S	S	.	.			trans	-72.8	89	-174	-80.8	-22.8	0	0	0	112	H338	D41-H338 IonicContact OD1-CD2 3.57Å; D41-H338 IonicContact OD1-CE1 3.76Å; D41-H338 IonicContact OD1-NE2 2.71Å; D41-H338 PolarHBondContact OD1-NE2 2.92Å
42	K	81.3	Confident	69	Low	79 Å²	79	80.6 Å²	80.6	34%	0.343	42%	0.415	S	S	.	.			trans	-74.8	128.9	162.9	-68.2	-178.4	178.5	177.6	0	109.3	N40	N40-K42 PolarHBondContact O-N 3.13Å
43	V	90.7	Very high	71.8	Confident	77 Å²	77	77.5 Å²	77.5	47%	0.467	40%	0.401	S	S	.	.			trans	-80.5	130.3	171.8	174.3	0	0	0	0	109	D45 F342 T344	V43-D45 PolarHBondContact O-N 3.09Å; V43-F342 WeakPolarHBondContact CG1-O 3.25Å; V43-T344 HydrophobicContact CG1-CG2 4.05Å
44	I	94.7	Very high	75	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	36%	0.358	C	S	.	.			trans	-73.1	115.2	171.8	-61.1	173.7	0	0	0	108.2	N296 L298 N323 R339 S343 T344 R347	I44-N296 HydrophobicContact CD1-CB 4.24Å; I44-N296 HydrophobicContact CG1-CB 3.79Å; I44-L298 HydrophobicContact CD1-CD1 3.65Å; I44-N323 HydrophobicContact CG2-CB 4.32Å; I44-R339 HydrophobicContact CD1-CB 3.79Å; I44-R339 HydrophobicContact CG1-CB 4.08Å; I44-S343 WeakPolarHBondContact O-CA 3.47Å; I44-T344 PolarHBondContact O-N 3.48Å; I44-T344 PolarHBondContact O-OG1 3.09Å; I44-R347 HydrophobicContact CG2-CG 4.31Å
45	D	93.9	Very high	77.6	Confident	55 Å²	55	66.8 Å²	66.8	29%	0.294	35%	0.348	S	S	.	.			trans	-116.3	-168.6	-178.4	73.7	11.4	0	0	0	112.8	V43 G47 H49 T344 R347	V43-D45 PolarHBondContact O-N 3.09Å; D45-G47 PolarHBondContact OD1-N 2.74Å; D45-H49 IonicContact OD1-CE1 3.01Å; D45-H49 PolarHBondContact OD1-CE1 3.04Å; D45-H49 IonicContact OD1-ND1 3.86Å; D45-H49 IonicContact OD1-NE2 3.74Å; D45-H49 IonicContact OD2-CE1 3.37Å; D45-H49 PolarHBondContact OD2-CE1 3.2Å; D45-H49 IonicContact OD2-NE2 3.96Å; D45-T344 WeakPolarHBondContact CA-OG1 3.43Å; D45-R347 WeakPolarHBondContact O-CD 3.48Å; D45-R347 PolarHBondContact O-NH1 3.48Å
46	G	93.6	Very high	80.8	Confident	13 Å²	13	55.4 Å²	55.4	13%	0.134	31%	0.305	C	S	.	.	S	Bend	trans	-86.2	4.1	-179.4	0	0	0	0	0	115.2	H345	G46-H345 PolarHBondContact N-ND1 2.98Å; G46-H345 VanDerWaalsContact N-ND1 3.2Å
47	G	92.2	Very high	83.6	Confident	13 Å²	13	51.3 Å²	51.3	13%	0.134	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-82.6	146.9	-175.6	0	0	0	0	0	113.3	D45 H49 R347	D45-G47 PolarHBondContact OD1-N 2.74Å; G47-H49 PolarHBondContact O-N 2.75Å; G47-R347 PolarHBondContact O-NH1 3.32Å; G47-R347 PolarHBondContact O-NH2 3.2Å
48	A	91	Very high	86.3	Confident	27 Å²	27	43.3 Å²	43.3	22%	0.223	24%	0.235	C	C	.	.	S	Bend	trans	-75.4	33.4	178.6	0	0	0	0	0	114.5	A374 K375 L376 L385	A48-A374 HydrophobicContact CB-CB 3.92Å; A48-K375 WeakPolarHBondContact CB-O 3.16Å; A48-K375 PolarHBondContact N-O 3.2Å; A48-K375 VanDerWaalsContact N-O 3.13Å; A48-L376 HydrophobicContact CB-CD2 4.47Å; A48-L385 HydrophobicContact CB-CD2 4.5Å
49	H	90.6	Very high	89.1	Confident	54 Å²	54	37.9 Å²	37.9	25%	0.25	20%	0.202	C	C	.	.			trans	-113.3	171.3	-177.9	65.6	-84.9	0	0	0	111.4	D45 G47 V51 R347 L377	D45-H49 IonicContact OD1-CE1 3.01Å; D45-H49 PolarHBondContact OD1-CE1 3.04Å; D45-H49 IonicContact OD1-ND1 3.86Å; D45-H49 IonicContact OD1-NE2 3.74Å; D45-H49 IonicContact OD2-CE1 3.37Å; D45-H49 PolarHBondContact OD2-CE1 3.2Å; D45-H49 IonicContact OD2-NE2 3.96Å; G47-H49 PolarHBondContact O-N 2.75Å; H49-V51 PolarHBondContact O-N 2.88Å; H49-V51 VanDerWaalsContact O-N 3.14Å; H49-R347 PolarHBondContact O-NH2 2.82Å; H49-L377 HydrophobicContact CB-CD1 4.11Å
50	N	93.7	Very high	91.5	Very high	18 Å²	18	30.2 Å²	30.2	10%	0.096	17%	0.166	C	C	.	.	S	Bend	trans	53.8	27.7	-177.5	-56.4	-21.3	0	0	0	114.6	Y176 N296	N50-Y176 HydrophobicContact CB-CD1 4.47Å; N50-Y176 HydrophobicContact CB-CD2 4.42Å; N50-Y176 HydrophobicContact CB-CG 4.26Å; N50-Y176 WeakPolarHBondContact OD1-CB 3.41Å; N50-Y176 WeakPolarHBondContact OD1-CD1 3.49Å; N50-Y176 VanDerWaalsContact OD1-CG 3.3Å; N50-N296 VanDerWaalsContact CB-OD1 3.3Å; N50-N296 WeakPolarHBondContact CB-OD1 3.43Å; N50-N296 PolarHBondContact ND2-OD1 2.94Å; N50-N296 VanDerWaalsContact ND2-OD1 3.07Å; N50-N296 PolarHBondContact O-N 2.84Å
51	V	95.9	Very high	93.6	Very high	19 Å²	19	23.3 Å²	23.3	12%	0.115	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.3	179.2	63.4	0	0	0	0	110.2	H49 W53 Y176 V294 D295	H49-V51 PolarHBondContact O-N 2.88Å; H49-V51 VanDerWaalsContact O-N 3.14Å; V51-W53 HydrophobicContact CG2-CE3 4.26Å; V51-W53 HydrophobicContact CG2-CZ3 4.4Å; V51-Y176 VanDerWaalsContact C-OH 3.28Å; V51-Y176 PolarHBondContact O-OH 2.64Å; V51-V294 WeakPolarHBondContact CA-O 3.21Å; V51-D295 HydrophobicContact CB-CB 4.42Å; V51-D295 HydrophobicContact CG2-CB 3.95Å
52	F	97.4	Very high	95.1	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	167.1	162.9	75.4	-85.9	0	0	0	109.4	F54 E88 L172 Y176 Y179 F181 A293 V294	F52-F54 HydrophobicContact CE2-CD1 4.09Å; F52-E88 HydrophobicContact CB-CG 3.98Å; F52-E88 HydrophobicContact CD2-CG 4.25Å; F52-L172 HydrophobicContact CD1-CD2 4.42Å; F52-L172 HydrophobicContact CD2-CD2 3.59Å; F52-L172 HydrophobicContact CE1-CD2 4.44Å; F52-L172 HydrophobicContact CE2-CD2 3.63Å; F52-L172 HydrophobicContact CG-CD2 4.01Å; F52-L172 HydrophobicContact CZ-CD2 4.08Å; F52-Y176 HydrophobicContact CD1-CE2 4.39Å; F52-Y179 HydrophobicContact CD1-CD2 4.14Å; F52-Y179 HydrophobicContact CD1-CE2 4.06Å; F52-Y179 AromaticContact CE1-CD1 3.66Å; F52-Y179 HydrophobicContact CE1-CD1 3.66Å; F52-Y179 AromaticContact CE1-CD2 3.32Å; F52-Y179 HydrophobicContact CE1-CD2 3.32Å; F52-Y179 AromaticContact CE1-CE1 3.81Å; F52-Y179 HydrophobicContact CE1-CE1 3.81Å; F52-Y179 AromaticContact CE1-CE2 3.47Å; F52-Y179 HydrophobicContact CE1-CE2 3.47Å; F52-Y179 VanDerWaalsContact CE1-CE2 3.47Å; F52-Y179 AromaticContact CE1-CG 3.42Å; F52-Y179 HydrophobicContact CE1-CG 3.42Å; F52-Y179 VanDerWaalsContact CE1-CG 3.42Å; F52-Y179 AromaticContact CE1-CZ 3.71Å; F52-Y179 AromaticContact CZ-CD1 3.85Å; F52-Y179 HydrophobicContact CZ-CD1 3.85Å; F52-Y179 AromaticContact CZ-CD2 3.84Å; F52-Y179 HydrophobicContact CZ-CD2 3.84Å; F52-Y179 HydrophobicContact CZ-CE1 4.42Å; F52-Y179 HydrophobicContact CZ-CE2 4.4Å; F52-Y179 AromaticContact CZ-CG 3.52Å; F52-Y179 HydrophobicContact CZ-CG 3.52Å; F52-F181 HydrophobicContact CE2-CZ 4.05Å; F52-F181 HydrophobicContact CZ-CZ 4.47Å; F52-A293 WeakPolarHBondContact O-CA 3.47Å; F52-V294 HydrophobicContact CD1-CB 4.01Å; F52-V294 HydrophobicContact CE1-CB 3.46Å; F52-V294 VanDerWaalsContact CE1-CB 3.46Å; F52-V294 HydrophobicContact CE1-CG1 3.85Å; F52-V294 HydrophobicContact CE1-CG2 3.87Å; F52-V294 HydrophobicContact CE2-CB 4.4Å; F52-V294 HydrophobicContact CE2-CG2 4.1Å; F52-V294 HydrophobicContact CZ-CB 3.68Å; F52-V294 HydrophobicContact CZ-CG1 4.32Å; F52-V294 HydrophobicContact CZ-CG2 3.52Å; F52-V294 PolarHBondContact N-O 3.4Å; F52-V294 VanDerWaalsContact N-O 3.08Å; F52-V294 PolarHBondContact O-N 2.8Å
53	W	98.4	Very high	95.8	Very high	33 Å²	33	15 Å²	15	13%	0.125	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.3	175.9	54.5	90.6	0	0	0	111.4	V51 I85 R86 E88 I291 V292 A293 L349 W351 P384	V51-W53 HydrophobicContact CG2-CE3 4.26Å; V51-W53 HydrophobicContact CG2-CZ3 4.4Å; W53-I85 PolarHBondContact NE1-O 3.16Å; W53-R86 PolarHBondContact NE1-O 2.79Å; W53-E88 PolarHBondContact O-N 3.24Å; W53-I291 HydrophobicContact CB-CG2 4.29Å; W53-V292 CarbonylContact C-O 3.54Å; W53-V292 WeakPolarHBondContact CA-O 3.27Å; W53-V292 VanDerWaalsContact CB-O 3.22Å; W53-V292 WeakPolarHBondContact CB-O 3.28Å; W53-A293 HydrophobicContact CB-CB 4.15Å; W53-L349 HydrophobicContact CE3-CD1 4.07Å; W53-L349 HydrophobicContact CE3-CD2 4.06Å; W53-L349 HydrophobicContact CZ3-CD2 3.88Å; W53-W351 HydrophobicContact CD2-CZ2 4.01Å; W53-W351 HydrophobicContact CG-CZ2 4.06Å; W53-W351 AromaticContact NE1-CZ2 3.96Å; W53-P384 HydrophobicContact CH2-CG 3.4Å; W53-P384 HydrophobicContact CZ2-CG 3.61Å; W53-P384 HydrophobicContact CZ3-CG 4.15Å
54	F	98.8	Very high	95.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	162.5	175.8	63.6	-87.3	0	0	0	110.3	F52 I89 I91 F181 F224 L253 V292	F52-F54 HydrophobicContact CE2-CD1 4.09Å; F54-I89 CarbonylContact C-O 3.56Å; F54-I89 VanDerWaalsContact CA-O 3.3Å; F54-I89 WeakPolarHBondContact CA-O 3.39Å; F54-I89 HydrophobicContact CB-CB 3.9Å; F54-I89 VanDerWaalsContact CB-O 3.32Å; F54-I89 WeakPolarHBondContact CB-O 3.38Å; F54-I91 HydrophobicContact CD2-CD1 4.05Å; F54-I91 HydrophobicContact CE2-CD1 4.07Å; F54-F181 AromaticContact CD1-CE1 3.78Å; F54-F181 HydrophobicContact CD1-CE1 3.78Å; F54-F181 AromaticContact CD1-CZ 3.87Å; F54-F181 HydrophobicContact CD1-CZ 3.87Å; F54-F181 HydrophobicContact CD2-CE1 4.1Å; F54-F181 AromaticContact CE1-CE1 3.74Å; F54-F181 HydrophobicContact CE1-CE1 3.74Å; F54-F181 HydrophobicContact CE1-CZ 4.03Å; F54-F181 HydrophobicContact CE2-CE1 4.07Å; F54-F181 AromaticContact CG-CE1 3.94Å; F54-F181 HydrophobicContact CG-CE1 3.94Å; F54-F181 HydrophobicContact CG-CZ 4.32Å; F54-F181 AromaticContact CZ-CE1 3.88Å; F54-F181 HydrophobicContact CZ-CE1 3.88Å; F54-F224 HydrophobicContact CE1-CD1 4.46Å; F54-F224 HydrophobicContact CE1-CD2 4.13Å; F54-F224 HydrophobicContact CE1-CE1 4.25Å; F54-F224 AromaticContact CE1-CE2 3.92Å; F54-F224 HydrophobicContact CE1-CE2 3.92Å; F54-F224 HydrophobicContact CE1-CG 4.39Å; F54-F224 AromaticContact CE1-CZ 3.99Å; F54-F224 HydrophobicContact CE1-CZ 3.99Å; F54-F224 AromaticContact CZ-CD1 3.88Å; F54-F224 HydrophobicContact CZ-CD1 3.88Å; F54-F224 HydrophobicContact CZ-CD2 4.16Å; F54-F224 AromaticContact CZ-CE1 4Å; F54-F224 HydrophobicContact CZ-CE1 4Å; F54-F224 HydrophobicContact CZ-CE2 4.27Å; F54-F224 AromaticContact CZ-CG 3.96Å; F54-F224 HydrophobicContact CZ-CG 3.96Å; F54-F224 HydrophobicContact CZ-CZ 4.2Å; F54-L253 HydrophobicContact CE2-CD2 3.84Å; F54-L253 HydrophobicContact CZ-CD2 4.48Å; F54-V292 HydrophobicContact CD1-CB 4.01Å; F54-V292 HydrophobicContact CD1-CG1 4.35Å; F54-V292 HydrophobicContact CD2-CB 4.16Å; F54-V292 HydrophobicContact CD2-CG2 4.37Å; F54-V292 HydrophobicContact CE1-CB 3.54Å; F54-V292 HydrophobicContact CE1-CG1 3.49Å; F54-V292 VanDerWaalsContact CE1-CG1 3.49Å; F54-V292 HydrophobicContact CE1-CG2 4.4Å; F54-V292 HydrophobicContact CE2-CB 3.7Å; F54-V292 HydrophobicContact CE2-CG1 4.27Å; F54-V292 HydrophobicContact CE2-CG2 3.71Å; F54-V292 HydrophobicContact CG-CB 4.31Å; F54-V292 HydrophobicContact CZ-CB 3.38Å; F54-V292 HydrophobicContact CZ-CG1 3.45Å; F54-V292 VanDerWaalsContact CZ-CG1 3.45Å; F54-V292 HydrophobicContact CZ-CG2 3.74Å; F54-V292 PolarHBondContact N-O 3.02Å; F54-V292 PolarHBondContact O-N 3.1Å
55	V	98.8	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.7	-179.2	167.2	0	0	0	0	109.8	F77 I82 I85 P87 I89 V90 I91 F289 R290 I291	V55-F77 HydrophobicContact CG1-CZ 3.89Å; V55-I82 HydrophobicContact CB-CD1 4.49Å; V55-I82 HydrophobicContact CG1-CD1 4.26Å; V55-I82 HydrophobicContact CG2-CD1 4.34Å; V55-I85 HydrophobicContact CG2-CG2 4.01Å; V55-P87 HydrophobicContact CB-CB 4.35Å; V55-P87 HydrophobicContact CB-CG 4.3Å; V55-P87 HydrophobicContact CG2-CB 3.83Å; V55-P87 HydrophobicContact CG2-CG 3.84Å; V55-I89 PolarHBondContact N-O 3.08Å; V55-V90 HydrophobicContact CB-CG1 4.48Å; V55-V90 HydrophobicContact CB-CG2 4.19Å; V55-V90 HydrophobicContact CG1-CG1 4.24Å; V55-V90 CarbonylContact O-C 3.42Å; V55-V90 WeakPolarHBondContact O-CA 3.3Å; V55-I91 PolarHBondContact O-N 2.65Å; V55-F289 HydrophobicContact CG1-CD2 4.36Å; V55-R290 CarbonylContact C-O 3.51Å; V55-R290 VanDerWaalsContact CA-O 3.24Å; V55-R290 WeakPolarHBondContact CA-O 3.27Å; V55-I291 HydrophobicContact CG2-CG1 4.26Å
56	H	98.7	Very high	95.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.9	174	170.2	-142.4	0	0	0	109.2	I91 S93 L253 C254 L280 F289 R290	H56-I91 CarbonylContact C-O 3.58Å; H56-I91 WeakPolarHBondContact CA-O 3.23Å; H56-S93 PolarHBondContact NE2-OG 2.65Å; H56-L253 HydrophobicContact CB-CD2 3.9Å; H56-C254 PolarHBondContact CE1-O 2.96Å; H56-L280 HydrophobicContact CB-CD2 4.46Å; H56-L280 WeakPolarHBondContact O-CD2 3.31Å; H56-F289 CarbonylContact O-C 3.46Å; H56-F289 WeakPolarHBondContact O-CA 3.34Å; H56-R290 HydrophobicContact CB-CB 4.2Å; H56-R290 PolarHBondContact N-O 3.05Å; H56-R290 PolarHBondContact ND1-NH1 2.95Å; H56-R290 PolarHBondContact O-N 3.05Å
57	I	98.4	Very high	95.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.4	174.7	-167.1	172	0	0	0	108.2	L60 F74 F77 V90 I91 A92 S93 W132 W283	I57-L60 HydrophobicContact CD1-CD2 3.45Å; I57-L60 VanDerWaalsContact CD1-CD2 3.45Å; I57-L60 HydrophobicContact CG1-CD2 3.6Å; I57-L60 HydrophobicContact CG2-CD2 4.29Å; I57-F74 HydrophobicContact CD1-CD2 4.21Å; I57-F74 HydrophobicContact CD1-CE2 4.24Å; I57-F77 HydrophobicContact CD1-CD1 4.3Å; I57-F77 HydrophobicContact CD1-CE1 4.03Å; I57-V90 HydrophobicContact CG2-CG1 4.43Å; I57-I91 WeakPolarHBondContact CG2-O 3.26Å; I57-I91 PolarHBondContact N-O 3.11Å; I57-I91 VanDerWaalsContact O-O 3.13Å; I57-A92 HydrophobicContact CG2-CB 4Å; I57-A92 CarbonylContact O-C 3.57Å; I57-A92 VanDerWaalsContact O-CA 3.28Å; I57-A92 WeakPolarHBondContact O-CA 3.3Å; I57-S93 PolarHBondContact O-N 2.78Å; I57-W132 HydrophobicContact CG2-CZ2 4.5Å; I57-W283 HydrophobicContact CD1-CB 4.4Å; I57-W283 HydrophobicContact CD1-CD2 3.66Å; I57-W283 HydrophobicContact CD1-CE3 3.32Å; I57-W283 HydrophobicContact CD1-CG 4.15Å; I57-W283 HydrophobicContact CD1-CH2 4.49Å; I57-W283 HydrophobicContact CD1-CZ3 3.77Å; I57-W283 HydrophobicContact CG1-CB 4.28Å; I57-W283 HydrophobicContact CG1-CD2 4.37Å; I57-W283 HydrophobicContact CG1-CE3 3.93Å
58	T	98.4	Very high	95.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.			trans	-153.9	162	-177.5	-164.9	0	0	0	0	111.4	L60 S93 G255 L280 W283	T58-L60 PolarHBondContact O-N 3.06Å; T58-S93 WeakPolarHBondContact CB-OG 3.37Å; T58-S93 PolarHBondContact OG1-O 2.89Å; T58-S93 PolarHBondContact OG1-OG 2.83Å; T58-G255 WeakPolarHBondContact OG1-CA 3.31Å; T58-L280 HydrophobicContact CG2-CB 3.84Å; T58-L280 HydrophobicContact CG2-CD2 4.18Å; T58-L280 HydrophobicContact CG2-CG 4.07Å; T58-L280 VanDerWaalsContact CG2-O 3.27Å; T58-L280 WeakPolarHBondContact CG2-O 3.46Å; T58-W283 VanDerWaalsContact O-CB 3.31Å; T58-W283 WeakPolarHBondContact O-CB 3.28Å; T58-W283 PolarHBondContact O-N 3.42Å
59	D	97.9	Very high	95.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.			trans	53.6	56.1	170.7	-56	-96.7	0	0	0	110.6	H61 G94 D95 H228 G255 H256 H258 D282 W283 R284	D59-H61 PolarHBondContact O-CD2 3.11Å; D59-G94 PolarHBondContact N-O 3.48Å; D59-D95 CarbonylContact C-O 3.53Å; D59-H228 IonicContact OD1-CE1 3.02Å; D59-H228 PolarHBondContact OD1-CE1 2.9Å; D59-G255 VanDerWaalsContact OD2-CA 3.29Å; D59-G255 WeakPolarHBondContact OD2-CA 3.42Å; D59-H256 VanDerWaalsContact OD1-CA 3.3Å; D59-H256 WeakPolarHBondContact OD1-CA 3.46Å; D59-H256 PolarHBondContact OD1-N 3.42Å; D59-H256 PolarHBondContact OD2-N 3.05Å; D59-H258 IonicContact OD1-CD2 3.74Å; D59-H258 PolarHBondContact OD1-CD2 2.75Å; D59-H258 VanDerWaalsContact OD1-CD2 3.32Å; D59-H258 IonicContact OD1-NE2 2.76Å; D59-H258 PolarHBondContact OD1-NE2 2.9Å; D59-D282 HydrophobicContact CB-CB 3.74Å; D59-W283 WeakPolarHBondContact O-CB 3.35Å; D59-W283 PolarHBondContact O-N 3.13Å; D59-R284 WeakPolarHBondContact O-CB 3.48Å; D59-R284 PolarHBondContact O-N 2.96Å
60	L	98	Very high	95.2	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.126	C	C	.	.			trans	-67.5	-40.4	-178.8	-55.8	-177.6	0	0	0	111.4	I57 T58 F62 F74 D95 I96 Y117 W283	I57-L60 HydrophobicContact CD1-CD2 3.45Å; I57-L60 VanDerWaalsContact CD1-CD2 3.45Å; I57-L60 HydrophobicContact CG1-CD2 3.6Å; I57-L60 HydrophobicContact CG2-CD2 4.29Å; T58-L60 PolarHBondContact O-N 3.06Å; L60-F62 HydrophobicContact CB-CD2 3.97Å; L60-F62 HydrophobicContact CB-CE2 4.23Å; L60-F62 HydrophobicContact CD1-CE2 4.3Å; L60-F62 PolarHBondContact O-N 2.67Å; L60-F74 HydrophobicContact CD1-CD2 4.41Å; L60-F74 HydrophobicContact CD1-CE2 3.84Å; L60-F74 HydrophobicContact CD1-CZ 4.34Å; L60-F74 HydrophobicContact CD2-CD2 4.04Å; L60-F74 HydrophobicContact CD2-CE2 3.99Å; L60-D95 PolarHBondContact N-O 2.8Å; L60-I96 HydrophobicContact CD1-CG2 4.49Å; L60-Y117 HydrophobicContact CD1-CD2 4.23Å; L60-Y117 HydrophobicContact CD1-CE2 3.7Å; L60-W283 HydrophobicContact CD2-CB 3.83Å; L60-W283 HydrophobicContact CD2-CD2 4.49Å; L60-W283 HydrophobicContact CD2-CG 3.85Å
61	H	97.4	Very high	95.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.123	C	C	.	.			trans	45.1	54.5	-176.5	-70.2	-93.2	0	0	0	112.9	D59 S63 R70 D95 I96 D98 H139 H258 R284	D59-H61 PolarHBondContact O-CD2 3.11Å; H61-S63 PolarHBondContact O-N 2.7Å; H61-S63 VanDerWaalsContact O-N 3.1Å; H61-R70 WeakPolarHBondContact O-CD 3.44Å; H61-R70 PolarHBondContact O-NE 3.15Å; H61-R70 VanDerWaalsContact O-NE 3.08Å; H61-R70 PolarHBondContact O-NH1 3.15Å; H61-D95 IonicContact CE1-OD2 2.88Å; H61-D95 PolarHBondContact N-O 2.83Å; H61-D95 IonicContact NE2-OD2 3.66Å; H61-I96 PolarHBondContact N-O 2.93Å; H61-D98 HydrophobicContact CB-CB 4.28Å; H61-D98 IonicContact ND1-OD1 3.8Å; H61-D98 PolarHBondContact ND1-OD1 3.14Å; H61-H139 AromaticContact CE1-CD2 3.76Å; H61-H139 AromaticContact CE1-CE1 3.46Å; H61-H139 PolarHBondContact CE1-CE1 2.93Å; H61-H139 VanDerWaalsContact CE1-CE1 3.46Å; H61-H139 AromaticContact CE1-CG 3.65Å; H61-H139 AromaticContact CE1-ND1 3.42Å; H61-H139 PolarHBondContact CE1-ND1 3.38Å; H61-H139 AromaticContact CE1-NE2 3.72Å; H61-H139 AromaticContact ND1-CE1 3.82Å; H61-H139 AromaticContact ND1-ND1 3.52Å; H61-H258 AromaticContact CD2-CE1 3.83Å; H61-H258 AromaticContact NE2-CE1 3.28Å; H61-H258 PolarHBondContact NE2-CE1 3.2Å; H61-H258 VanDerWaalsContact NE2-CE1 3.28Å; H61-H258 AromaticContact NE2-NE2 3.3Å; H61-H258 PolarHBondContact NE2-NE2 3.49Å; H61-R284 HydrophobicContact CB-CB 4.04Å; H61-R284 HydrophobicContact CB-CG 3.86Å
62	F	97.4	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-51.3	123.5	168.6	-88.6	-117.1	0	0	0	108.9	L60 Q71 F74 I96 D98 E113 D116 Y117 L120	L60-F62 HydrophobicContact CB-CD2 3.97Å; L60-F62 HydrophobicContact CB-CE2 4.23Å; L60-F62 HydrophobicContact CD1-CE2 4.3Å; L60-F62 PolarHBondContact O-N 2.67Å; F62-Q71 HydrophobicContact CD1-CG 3.38Å; F62-Q71 HydrophobicContact CE1-CB 4.18Å; F62-Q71 HydrophobicContact CE1-CG 3.47Å; F62-Q71 VanDerWaalsContact CE1-CG 3.47Å; F62-Q71 HydrophobicContact CG-CG 3.97Å; F62-Q71 HydrophobicContact CZ-CG 4.13Å; F62-F74 HydrophobicContact CE2-CB 4.31Å; F62-F74 AromaticContact CE2-CD1 3.98Å; F62-F74 HydrophobicContact CE2-CD1 3.98Å; F62-F74 HydrophobicContact CE2-CD2 4.31Å; F62-F74 HydrophobicContact CE2-CE1 4.34Å; F62-F74 AromaticContact CE2-CG 3.94Å; F62-F74 HydrophobicContact CE2-CG 3.94Å; F62-F74 HydrophobicContact CZ-CB 4.19Å; F62-F74 AromaticContact CZ-CD1 3.52Å; F62-F74 HydrophobicContact CZ-CD1 3.52Å; F62-F74 AromaticContact CZ-CE1 3.99Å; F62-F74 HydrophobicContact CZ-CE1 3.99Å; F62-F74 AromaticContact CZ-CG 3.87Å; F62-F74 HydrophobicContact CZ-CG 3.87Å; F62-I96 WeakPolarHBondContact CB-O 3.35Å; F62-I96 PolarHBondContact N-O 3Å; F62-D98 PolarHBondContact O-N 3.09Å; F62-E113 HydrophobicContact CB-CB 4.4Å; F62-E113 VanDerWaalsContact O-CD 3.23Å; F62-D116 HydrophobicContact CD1-CB 3.72Å; F62-D116 HydrophobicContact CE1-CB 4.09Å; F62-Y117 HydrophobicContact CD2-CD2 4.29Å; F62-Y117 VanDerWaalsContact CE1-CA 3.5Å; F62-Y117 AromaticContact CE2-CD2 3.92Å; F62-Y117 HydrophobicContact CE2-CD2 3.92Å; F62-Y117 HydrophobicContact CZ-CD2 4.09Å; F62-L120 HydrophobicContact CE1-CD1 3.62Å; F62-L120 HydrophobicContact CE1-CG 4.35Å; F62-L120 HydrophobicContact CZ-CD1 3.89Å
63	S	95.9	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.			trans	-140.8	146.4	177.5	132	0	0	0	0	117	H61 F65 G66 K68 R70 Q71 D98 E113	H61-S63 PolarHBondContact O-N 2.7Å; H61-S63 VanDerWaalsContact O-N 3.1Å; S63-F65 PolarHBondContact OG-N 3.03Å; S63-G66 PolarHBondContact OG-N 3.31Å; S63-K68 PolarHBondContact O-NZ 3.15Å; S63-R70 VanDerWaalsContact CB-CZ 3.48Å; S63-R70 PolarHBondContact OG-NH2 3.41Å; S63-Q71 PolarHBondContact O-NE2 2.74Å; S63-D98 VanDerWaalsContact CB-OD2 3.29Å; S63-D98 WeakPolarHBondContact CB-OD2 3.48Å; S63-D98 PolarHBondContact OG-OD2 2.7Å; S63-E113 VanDerWaalsContact CA-OE1 3.25Å; S63-E113 WeakPolarHBondContact CA-OE1 3.4Å; S63-E113 WeakPolarHBondContact CB-OE1 3.36Å
64	E	93.6	Very high	95.1	Very high	80 Å²	80	28.1 Å²	28.1	37%	0.374	15%	0.147	S	C	.	.	S	Bend	trans	-76.6	-34	179	-179.6	55.1	-168.4	0	0	111.6	K68 N110 E113	E64-K68 IonicContact OE2-NZ 3.89Å; E64-K68 PolarHBondContact OE2-NZ 3.08Å; E64-N110 VanDerWaalsContact CB-ND2 3.33Å; E64-N110 WeakPolarHBondContact CB-ND2 3.33Å; E64-E113 HydrophobicContact CB-CG 4.26Å; E64-E113 PolarHBondContact N-OE1 2.98Å
65	F	91.9	Very high	95	Very high	89 Å²	89	29.5 Å²	29.5	39%	0.39	15%	0.154	S	C	.	.	S	Bend	trans	-104.6	-20.3	-171	-50.9	-63.6	0	0	0	114.5	S63 K100 G101 K102 F104	S63-F65 PolarHBondContact OG-N 3.03Å; F65-K100 VanDerWaalsContact CD2-O 3.26Å; F65-K100 WeakPolarHBondContact CD2-O 2.95Å; F65-K100 WeakPolarHBondContact CE2-O 3.42Å; F65-G101 VanDerWaalsContact CD2-C 3.5Å; F65-K102 HydrophobicContact CD1-CB 3.88Å; F65-K102 HydrophobicContact CD1-CG 4.12Å; F65-K102 HydrophobicContact CD2-CB 4.47Å; F65-K102 HydrophobicContact CE1-CB 4.07Å; F65-K102 HydrophobicContact CG-CB 4.09Å; F65-K102 HydrophobicContact CZ-CB 4.44Å; F65-F104 HydrophobicContact CB-CZ 4.23Å
66	G	88	Confident	94.8	Very high	21 Å²	21	30.9 Å²	30.9	22%	0.216	16%	0.161	C	C	.	.	S	Bend	trans	-89.3	-170.1	174.9	0	0	0	0	0	112	S63 K68	S63-G66 PolarHBondContact OG-N 3.31Å; G66-K68 PolarHBondContact O-N 3.11Å
67	S	86.1	Confident	94.6	Very high	72 Å²	72	30.9 Å²	30.9	50%	0.503	16%	0.161	S	C	.	.			trans	-62.3	135	-176.2	-170.9	0	0	0	0	111.9	D69 R70 Q71	S67-D69 VanDerWaalsContact C-N 3.34Å; S67-D69 WeakPolarHBondContact CB-OD1 3.26Å; S67-D69 PolarHBondContact OG-OD1 2.99Å; S67-R70 WeakPolarHBondContact O-CG 3.45Å; S67-R70 PolarHBondContact O-NE 3.07Å; S67-R70 PolarHBondContact O-NH2 3.18Å; S67-Q71 PolarHBondContact O-OE1 3.17Å
68	K	89.8	Confident	94.6	Very high	83 Å²	83	30.9 Å²	30.9	36%	0.361	16%	0.161	S	C	.	.	S	Bend	trans	-84.8	-9.3	179.1	-68.4	-65.9	-170.4	175.7	0	113	S63 E64 G66 R70 Q71 M72 D116	S63-K68 PolarHBondContact O-NZ 3.15Å; E64-K68 IonicContact OE2-NZ 3.89Å; E64-K68 PolarHBondContact OE2-NZ 3.08Å; G66-K68 PolarHBondContact O-N 3.11Å; K68-R70 VanDerWaalsContact C-N 3.27Å; K68-R70 PolarHBondContact O-N 2.99Å; K68-Q71 PolarHBondContact O-N 3.42Å; K68-M72 PolarHBondContact O-N 3.47Å; K68-M72 VanDerWaalsContact O-N 3.17Å; K68-D116 IonicContact NZ-OD2 2.94Å; K68-D116 PolarHBondContact NZ-OD2 3.32Å
69	D	91.9	Very high	94.5	Very high	77 Å²	77	33.5 Å²	33.5	41%	0.412	18%	0.179	S	C	.	.	H	α-helix	trans	-57.7	-37.5	175.7	67.8	-27.8	0	0	0	112.1	S67 Q71 M72 D73 R287	S67-D69 VanDerWaalsContact C-N 3.34Å; S67-D69 WeakPolarHBondContact CB-OD1 3.26Å; S67-D69 PolarHBondContact OG-OD1 2.99Å; D69-Q71 VanDerWaalsContact C-N 3.32Å; D69-Q71 PolarHBondContact O-N 3.49Å; D69-M72 PolarHBondContact O-N 3.27Å; D69-D73 VanDerWaalsContact O-CB 3.28Å; D69-D73 WeakPolarHBondContact O-CB 2.84Å; D69-D73 VanDerWaalsContact O-CG 3.26Å; D69-D73 PolarHBondContact O-N 3.06Å; D69-R287 IonicContact OD1-NH2 3.59Å; D69-R287 PolarHBondContact OD1-NH2 2.92Å; D69-R287 IonicContact OD2-NH2 3.4Å; D69-R287 PolarHBondContact OD2-NH2 3.34Å
70	R	93.3	Very high	94.3	Very high	9 Å²	9	35.5 Å²	35.5	3%	0.034	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-35.4	177.5	68	-167	151.6	178.8	-9.1	113.5	H61 S63 S67 K68 F74 D98 W283 R287	H61-R70 WeakPolarHBondContact O-CD 3.44Å; H61-R70 PolarHBondContact O-NE 3.15Å; H61-R70 VanDerWaalsContact O-NE 3.08Å; H61-R70 PolarHBondContact O-NH1 3.15Å; S63-R70 VanDerWaalsContact CB-CZ 3.48Å; S63-R70 PolarHBondContact OG-NH2 3.41Å; S67-R70 WeakPolarHBondContact O-CG 3.45Å; S67-R70 PolarHBondContact O-NE 3.07Å; S67-R70 PolarHBondContact O-NH2 3.18Å; K68-R70 VanDerWaalsContact C-N 3.27Å; K68-R70 PolarHBondContact O-N 2.99Å; R70-F74 WeakPolarHBondContact O-CB 3.1Å; R70-F74 PolarHBondContact O-N 3.3Å; R70-D98 IonicContact NH1-OD2 3.9Å; R70-W283 PolarHBondContact O-NE1 3.16Å; R70-R287 VanDerWaalsContact CA-CZ 3.42Å; R70-R287 VanDerWaalsContact N-NH2 3.15Å
71	Q	95.9	Very high	94.1	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-71.1	-43.9	173.3	-72.8	105.1	-50.3	0	0	111.5	F62 S63 S67 K68 D69 F74 L75 L120	F62-Q71 HydrophobicContact CD1-CG 3.38Å; F62-Q71 HydrophobicContact CE1-CB 4.18Å; F62-Q71 HydrophobicContact CE1-CG 3.47Å; F62-Q71 VanDerWaalsContact CE1-CG 3.47Å; F62-Q71 HydrophobicContact CG-CG 3.97Å; F62-Q71 HydrophobicContact CZ-CG 4.13Å; S63-Q71 PolarHBondContact O-NE2 2.74Å; S67-Q71 PolarHBondContact O-OE1 3.17Å; K68-Q71 PolarHBondContact O-N 3.42Å; D69-Q71 VanDerWaalsContact C-N 3.32Å; D69-Q71 PolarHBondContact O-N 3.49Å; Q71-F74 WeakPolarHBondContact O-CB 3.36Å; Q71-F74 PolarHBondContact O-N 3.37Å; Q71-L75 PolarHBondContact O-N 2.81Å; Q71-L120 HydrophobicContact CB-CD1 3.91Å; Q71-L120 WeakPolarHBondContact O-CD1 3.08Å
72	M	94.6	Very high	94.1	Very high	122 Å²	122	35.9 Å²	35.9	60%	0.601	19%	0.192	S	C	*	.	H	α-helix	trans	-64.9	-43.5	178.4	-66	-57.4	-62	0	0	112	K68 D69 F74 L75 E76	K68-M72 PolarHBondContact O-N 3.47Å; K68-M72 VanDerWaalsContact O-N 3.17Å; D69-M72 PolarHBondContact O-N 3.27Å; M72-F74 VanDerWaalsContact C-N 3.25Å; M72-F74 PolarHBondContact O-N 3.01Å; M72-L75 WeakPolarHBondContact O-CB 3.35Å; M72-L75 PolarHBondContact O-N 3.49Å; M72-E76 PolarHBondContact O-N 2.91Å
73	D	94.7	Very high	94	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.144	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-36.4	173.5	-75.1	-41	0	0	0	111.1	D69 E76 F77 W283 R287 K306	D69-D73 VanDerWaalsContact O-CB 3.28Å; D69-D73 WeakPolarHBondContact O-CB 2.84Å; D69-D73 VanDerWaalsContact O-CG 3.26Å; D69-D73 PolarHBondContact O-N 3.06Å; D73-E76 PolarHBondContact O-N 3.44Å; D73-F77 VanDerWaalsContact O-CB 3.29Å; D73-F77 WeakPolarHBondContact O-CB 3.46Å; D73-F77 PolarHBondContact O-N 2.83Å; D73-W283 HydrophobicContact CB-CZ2 3.8Å; D73-R287 IonicContact OD2-CZ 3.4Å; D73-R287 IonicContact OD2-NE 3.84Å; D73-R287 PolarHBondContact OD2-NE 3.45Å; D73-R287 IonicContact OD2-NH2 3.34Å; D73-R287 PolarHBondContact OD2-NH2 3.26Å; D73-K306 HydrophobicContact CB-CD 4.22Å; D73-K306 VanDerWaalsContact O-CE 3.29Å; D73-K306 WeakPolarHBondContact O-CE 3.21Å; D73-K306 IonicContact OD1-NZ 2.7Å; D73-K306 PolarHBondContact OD1-NZ 3.01Å
74	F	96.9	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.1	-41.9	178.9	178.8	-92	0	0	0	111	I57 L60 F62 R70 Q71 M72 E76 F77 C78 Y117 L120 L121 W132 W283	I57-F74 HydrophobicContact CD1-CD2 4.21Å; I57-F74 HydrophobicContact CD1-CE2 4.24Å; L60-F74 HydrophobicContact CD1-CD2 4.41Å; L60-F74 HydrophobicContact CD1-CE2 3.84Å; L60-F74 HydrophobicContact CD1-CZ 4.34Å; L60-F74 HydrophobicContact CD2-CD2 4.04Å; L60-F74 HydrophobicContact CD2-CE2 3.99Å; F62-F74 HydrophobicContact CE2-CB 4.31Å; F62-F74 AromaticContact CE2-CD1 3.98Å; F62-F74 HydrophobicContact CE2-CD1 3.98Å; F62-F74 HydrophobicContact CE2-CD2 4.31Å; F62-F74 HydrophobicContact CE2-CE1 4.34Å; F62-F74 AromaticContact CE2-CG 3.94Å; F62-F74 HydrophobicContact CE2-CG 3.94Å; F62-F74 HydrophobicContact CZ-CB 4.19Å; F62-F74 AromaticContact CZ-CD1 3.52Å; F62-F74 HydrophobicContact CZ-CD1 3.52Å; F62-F74 AromaticContact CZ-CE1 3.99Å; F62-F74 HydrophobicContact CZ-CE1 3.99Å; F62-F74 AromaticContact CZ-CG 3.87Å; F62-F74 HydrophobicContact CZ-CG 3.87Å; R70-F74 WeakPolarHBondContact O-CB 3.1Å; R70-F74 PolarHBondContact O-N 3.3Å; Q71-F74 WeakPolarHBondContact O-CB 3.36Å; Q71-F74 PolarHBondContact O-N 3.37Å; M72-F74 VanDerWaalsContact C-N 3.25Å; M72-F74 PolarHBondContact O-N 3.01Å; F74-E76 VanDerWaalsContact C-N 3.33Å; F74-E76 PolarHBondContact O-N 2.84Å; F74-F77 WeakPolarHBondContact O-CB 3.45Å; F74-F77 PolarHBondContact O-N 2.8Å; F74-C78 VanDerWaalsContact CE1-SG 3.58Å; F74-C78 WeakPolarHBondContact O-CB 3.49Å; F74-C78 PolarHBondContact O-N 3.12Å; F74-C78 PolarHBondContact O-SG 2.94Å; F74-Y117 HydrophobicContact CE1-CD2 4.45Å; F74-Y117 HydrophobicContact CE1-CE2 4.41Å; F74-Y117 HydrophobicContact CZ-CD2 4.38Å; F74-Y117 AromaticContact CZ-CE2 3.95Å; F74-Y117 HydrophobicContact CZ-CE2 3.95Å; F74-L120 HydrophobicContact CD1-CB 4.37Å; F74-L121 HydrophobicContact CE1-CD2 3.98Å; F74-L121 HydrophobicContact CE1-CG 4.28Å; F74-L121 HydrophobicContact CZ-CD2 3.85Å; F74-L121 HydrophobicContact CZ-CG 4.44Å; F74-W132 AromaticContact CE2-CH2 3.75Å; F74-W132 HydrophobicContact CE2-CH2 3.75Å; F74-W132 HydrophobicContact CE2-CZ2 4.04Å; F74-W132 AromaticContact CZ-CH2 3.53Å; F74-W132 HydrophobicContact CZ-CH2 3.53Å; F74-W132 AromaticContact CZ-CZ2 3.72Å; F74-W132 HydrophobicContact CZ-CZ2 3.72Å; F74-W283 HydrophobicContact CB-CZ2 4.06Å
75	L	96.7	Very high	94.1	Very high	29 Å²	29	36.2 Å²	36.2	15%	0.152	20%	0.201	C	C	.	.	H	α-helix	trans	-57.2	-49.2	171.6	175.6	59.4	0	0	0	110.4	Q71 M72 F77 C78 S79 L120 Q123	Q71-L75 PolarHBondContact O-N 2.81Å; M72-L75 WeakPolarHBondContact O-CB 3.35Å; M72-L75 PolarHBondContact O-N 3.49Å; L75-F77 VanDerWaalsContact C-N 3.35Å; L75-F77 PolarHBondContact O-N 2.71Å; L75-C78 PolarHBondContact O-N 3.4Å; L75-S79 WeakPolarHBondContact O-CB 3.42Å; L75-S79 PolarHBondContact O-N 2.86Å; L75-S79 PolarHBondContact O-OG 3.25Å; L75-S79 VanDerWaalsContact O-OG 3.05Å; L75-L120 HydrophobicContact CB-CD1 4.32Å; L75-L120 HydrophobicContact CB-CD2 4.23Å; L75-L120 HydrophobicContact CD1-CD2 4.28Å; L75-L120 HydrophobicContact CD2-CD2 4.14Å; L75-L120 HydrophobicContact CG-CD2 4.45Å; L75-Q123 HydrophobicContact CD1-CG 4.36Å
76	E	94.4	Very high	94.3	Very high	30 Å²	30	39 Å²	39	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-40.7	179.1	-163.7	-152.9	132.5	0	0	112.3	M72 D73 F74 S79 T80 K306 L309	M72-E76 PolarHBondContact O-N 2.91Å; D73-E76 PolarHBondContact O-N 3.44Å; F74-E76 VanDerWaalsContact C-N 3.33Å; F74-E76 PolarHBondContact O-N 2.84Å; E76-S79 WeakPolarHBondContact CA-OG 3.31Å; E76-S79 PolarHBondContact O-N 2.81Å; E76-S79 PolarHBondContact O-OG 2.88Å; E76-T80 WeakPolarHBondContact O-CA 3.32Å; E76-T80 WeakPolarHBondContact O-CB 3.34Å; E76-T80 PolarHBondContact O-N 2.77Å; E76-T80 PolarHBondContact O-OG1 2.8Å; E76-K306 IonicContact OE1-NZ 3.5Å; E76-K306 WeakPolarHBondContact OE2-CE 3.27Å; E76-K306 IonicContact OE2-NZ 2.92Å; E76-K306 PolarHBondContact OE2-NZ 3Å; E76-L309 HydrophobicContact CG-CD1 4.2Å; E76-L309 VanDerWaalsContact OE1-CD1 3.31Å; E76-L309 WeakPolarHBondContact OE1-CD1 3.34Å; E76-L309 WeakPolarHBondContact OE1-CG 3.38Å
77	F	95.9	Very high	94.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	I	π-helix	trans	-59.5	-48.3	174.1	173.9	-103.4	0	0	0	111.4	V55 I57 D73 F74 L75 S79 Y81 I82 W283 F289 K306	V55-F77 HydrophobicContact CG1-CZ 3.89Å; I57-F77 HydrophobicContact CD1-CD1 4.3Å; I57-F77 HydrophobicContact CD1-CE1 4.03Å; D73-F77 VanDerWaalsContact O-CB 3.29Å; D73-F77 WeakPolarHBondContact O-CB 3.46Å; D73-F77 PolarHBondContact O-N 2.83Å; F74-F77 WeakPolarHBondContact O-CB 3.45Å; F74-F77 PolarHBondContact O-N 2.8Å; L75-F77 VanDerWaalsContact C-N 3.35Å; L75-F77 PolarHBondContact O-N 2.71Å; F77-S79 PolarHBondContact O-N 3.08Å; F77-Y81 HydrophobicContact CD2-CD1 4.25Å; F77-Y81 AromaticContact CD2-CG 3.97Å; F77-Y81 HydrophobicContact CD2-CG 3.97Å; F77-Y81 WeakPolarHBondContact O-CA 3.46Å; F77-Y81 WeakPolarHBondContact O-CB 3.34Å; F77-Y81 PolarHBondContact O-N 2.92Å; F77-I82 HydrophobicContact CD1-CG1 4.27Å; F77-I82 HydrophobicContact CE1-CD1 3.78Å; F77-I82 HydrophobicContact CE1-CG1 3.97Å; F77-I82 HydrophobicContact CE2-CD1 4.41Å; F77-I82 HydrophobicContact CZ-CD1 3.72Å; F77-I82 HydrophobicContact CZ-CG1 4.27Å; F77-I82 PolarHBondContact O-N 3.35Å; F77-W283 HydrophobicContact CB-CH2 3.61Å; F77-W283 HydrophobicContact CB-CZ2 4.23Å; F77-W283 HydrophobicContact CB-CZ3 4.44Å; F77-W283 HydrophobicContact CD1-CH2 4.46Å; F77-W283 HydrophobicContact CD2-CH2 4.13Å; F77-W283 HydrophobicContact CD2-CZ3 4.2Å; F77-W283 AromaticContact CG-CH2 3.83Å; F77-W283 HydrophobicContact CG-CH2 3.83Å; F77-W283 HydrophobicContact CG-CZ3 4.19Å; F77-F289 HydrophobicContact CD2-CD1 4.3Å; F77-F289 HydrophobicContact CD2-CE1 4.47Å; F77-F289 HydrophobicContact CE2-CB 4.03Å; F77-F289 AromaticContact CE2-CD1 3.69Å; F77-F289 HydrophobicContact CE2-CD1 3.69Å; F77-F289 AromaticContact CE2-CD2 3.81Å; F77-F289 HydrophobicContact CE2-CD2 3.81Å; F77-F289 HydrophobicContact CE2-CE1 4.02Å; F77-F289 HydrophobicContact CE2-CE2 4.13Å; F77-F289 AromaticContact CE2-CG 3.56Å; F77-F289 HydrophobicContact CE2-CG 3.56Å; F77-F289 HydrophobicContact CE2-CZ 4.22Å; F77-F289 HydrophobicContact CZ-CB 4.03Å; F77-F289 HydrophobicContact CZ-CD2 4.18Å; F77-F289 HydrophobicContact CZ-CG 4Å; F77-K306 HydrophobicContact CB-CD 4.33Å
78	C	97.8	Very high	95.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	I	π-helix	trans	-66.6	-36.2	178.8	-66.7	0	0	0	0	112.7	F74 L75 P83 S124 V126	F74-C78 VanDerWaalsContact CE1-SG 3.58Å; F74-C78 WeakPolarHBondContact O-CB 3.49Å; F74-C78 PolarHBondContact O-N 3.12Å; F74-C78 PolarHBondContact O-SG 2.94Å; L75-C78 PolarHBondContact O-N 3.4Å; C78-P83 WeakPolarHBondContact O-CD 3.4Å; C78-S124 VanDerWaalsContact CB-CB 3.45Å; C78-S124 WeakPolarHBondContact CB-OG 3.34Å; C78-V126 HydrophobicContact CB-CB 4.03Å; C78-V126 HydrophobicContact CB-CG1 4.25Å; C78-V126 HydrophobicContact CB-CG2 4.27Å
79	S	96.1	Very high	95.7	Very high	55 Å²	55	34.1 Å²	34.1	39%	0.385	17%	0.174	S	C	.	.	I	π-helix	trans	-89.7	-17.9	-176.2	69	0	0	0	0	114.7	L75 E76 F77 P83	L75-S79 WeakPolarHBondContact O-CB 3.42Å; L75-S79 PolarHBondContact O-N 2.86Å; L75-S79 PolarHBondContact O-OG 3.25Å; L75-S79 VanDerWaalsContact O-OG 3.05Å; E76-S79 WeakPolarHBondContact CA-OG 3.31Å; E76-S79 PolarHBondContact O-N 2.81Å; E76-S79 PolarHBondContact O-OG 2.88Å; F77-S79 PolarHBondContact O-N 3.08Å; S79-P83 WeakPolarHBondContact O-CG 3.46Å
80	T	93.3	Very high	96.1	Very high	41 Å²	41	30.4 Å²	30.4	25%	0.252	15%	0.154	S	C	.	.	I	π-helix	trans	-126.3	-49.6	-170.7	-48.4	0	0	0	0	112.1	E76 V84 L353	E76-T80 WeakPolarHBondContact O-CA 3.32Å; E76-T80 WeakPolarHBondContact O-CB 3.34Å; E76-T80 PolarHBondContact O-N 2.77Å; E76-T80 PolarHBondContact O-OG1 2.8Å; T80-V84 WeakPolarHBondContact O-CG2 3.34Å; T80-L353 HydrophobicContact CG2-CD1 4.41Å; T80-L353 HydrophobicContact CG2-CD2 3.82Å
81	Y	94.9	Very high	96.3	Very high	9 Å²	9	30 Å²	30	4%	0.035	15%	0.153	C	C	.	.	I	π-helix	trans	-75.4	-49.5	-177.8	-79.6	-120.2	0	0	0	111.5	F77 V84 I85 F289 K306 W316	F77-Y81 HydrophobicContact CD2-CD1 4.25Å; F77-Y81 AromaticContact CD2-CG 3.97Å; F77-Y81 HydrophobicContact CD2-CG 3.97Å; F77-Y81 WeakPolarHBondContact O-CA 3.46Å; F77-Y81 WeakPolarHBondContact O-CB 3.34Å; F77-Y81 PolarHBondContact O-N 2.92Å; Y81-V84 PolarHBondContact O-N 2.67Å; Y81-V84 VanDerWaalsContact O-N 3.12Å; Y81-I85 WeakPolarHBondContact O-CG1 3.37Å; Y81-I85 PolarHBondContact O-N 2.66Å; Y81-F289 AromaticContact CD1-CE1 3.95Å; Y81-F289 HydrophobicContact CD1-CE1 3.95Å; Y81-F289 AromaticContact CD1-CZ 3.75Å; Y81-F289 HydrophobicContact CD1-CZ 3.75Å; Y81-F289 HydrophobicContact CE1-CE1 4.07Å; Y81-F289 HydrophobicContact CE1-CZ 4.11Å; Y81-K306 HydrophobicContact CE1-CG 4.47Å; Y81-K306 HydrophobicContact CE2-CG 4.23Å; Y81-W316 AromaticContact CD1-CH2 3.94Å; Y81-W316 HydrophobicContact CD1-CH2 3.94Å; Y81-W316 AromaticContact CD1-CZ2 3.48Å; Y81-W316 HydrophobicContact CD1-CZ2 3.48Å; Y81-W316 VanDerWaalsContact CD1-CZ2 3.48Å; Y81-W316 HydrophobicContact CD2-CZ2 4.12Å; Y81-W316 AromaticContact CE1-CE2 3.8Å; Y81-W316 HydrophobicContact CE1-CH2 4.1Å; Y81-W316 AromaticContact CE1-CZ2 3.3Å; Y81-W316 HydrophobicContact CE1-CZ2 3.3Å; Y81-W316 AromaticContact CE2-CZ2 3.95Å; Y81-W316 HydrophobicContact CE2-CZ2 3.95Å; Y81-W316 HydrophobicContact CG-CH2 4.39Å; Y81-W316 AromaticContact CG-CZ2 3.88Å; Y81-W316 HydrophobicContact CG-CZ2 3.88Å; Y81-W316 AromaticContact CZ-CE2 3.78Å; Y81-W316 AromaticContact CZ-CZ2 3.54Å; Y81-W316 AromaticContact CZ-NE1 3.55Å; Y81-W316 PolarHBondContact OH-NE1 3.36Å; Y81-W316 VanDerWaalsContact OH-NE1 3.16Å
82	I	96.8	Very high	96.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-41.8	-178.6	-62.7	-61.7	0	0	0	112.8	V55 F77 V84 I85 R86 P87 V90 V126 T130	V55-I82 HydrophobicContact CB-CD1 4.49Å; V55-I82 HydrophobicContact CG1-CD1 4.26Å; V55-I82 HydrophobicContact CG2-CD1 4.34Å; F77-I82 HydrophobicContact CD1-CG1 4.27Å; F77-I82 HydrophobicContact CE1-CD1 3.78Å; F77-I82 HydrophobicContact CE1-CG1 3.97Å; F77-I82 HydrophobicContact CE2-CD1 4.41Å; F77-I82 HydrophobicContact CZ-CD1 3.72Å; F77-I82 HydrophobicContact CZ-CG1 4.27Å; F77-I82 PolarHBondContact O-N 3.35Å; I82-V84 PolarHBondContact O-N 2.87Å; I82-I85 PolarHBondContact O-N 3.27Å; I82-R86 WeakPolarHBondContact O-CA 3.49Å; I82-R86 PolarHBondContact O-N 3.16Å; I82-P87 HydrophobicContact CD1-CG 4.16Å; I82-P87 HydrophobicContact CG2-CG 4.23Å; I82-V90 HydrophobicContact CD1-CG2 3.84Å; I82-V126 HydrophobicContact CB-CG2 4.08Å; I82-V126 HydrophobicContact CG1-CG2 4.19Å; I82-V126 HydrophobicContact CG2-CG2 3.68Å; I82-T130 HydrophobicContact CG2-CG2 4.06Å
83	P	95.7	Very high	96.6	Very high	41 Å²	41	23.8 Å²	23.8	27%	0.266	12%	0.122	S	C	.	.	H	α-helix	trans	-64.1	-25.4	175.4	-25.8	36	0	0	0	115	C78 S79 R86 L129	C78-P83 WeakPolarHBondContact O-CD 3.4Å; S79-P83 WeakPolarHBondContact O-CG 3.46Å; P83-R86 WeakPolarHBondContact O-CG 3.43Å; P83-R86 PolarHBondContact O-NE 3.13Å; P83-L129 HydrophobicContact CB-CD1 4.34Å; P83-L129 HydrophobicContact CG-CD1 3.76Å
84	V	94.7	Very high	96.8	Very high	46 Å²	46	22.6 Å²	22.6	28%	0.279	12%	0.116	S	C	.	.	H	α-helix	trans	-82.2	-44.2	175.2	169.3	0	0	0	0	110.8	T80 Y81 I82 W316 W351 S352 L353	T80-V84 WeakPolarHBondContact O-CG2 3.34Å; Y81-V84 PolarHBondContact O-N 2.67Å; Y81-V84 VanDerWaalsContact O-N 3.12Å; I82-V84 PolarHBondContact O-N 2.87Å; V84-W316 HydrophobicContact CG1-CH2 4.1Å; V84-W316 HydrophobicContact CG1-CZ3 4.22Å; V84-W351 HydrophobicContact CG1-CB 4.2Å; V84-S352 WeakPolarHBondContact CG1-O 3.26Å; V84-L353 HydrophobicContact CB-CD2 4.49Å; V84-L353 HydrophobicContact CG2-CD2 3.85Å
85	I	96.3	Very high	96.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-69.2	-40.8	179.3	-63.5	165.3	0	0	0	110.6	W53 V55 Y81 I82 P87 F289 I291 W351	W53-I85 PolarHBondContact NE1-O 3.16Å; V55-I85 HydrophobicContact CG2-CG2 4.01Å; Y81-I85 WeakPolarHBondContact O-CG1 3.37Å; Y81-I85 PolarHBondContact O-N 2.66Å; I82-I85 PolarHBondContact O-N 3.27Å; I85-P87 HydrophobicContact CG2-CB 4.39Å; I85-P87 HydrophobicContact CG2-CG 4.42Å; I85-F289 HydrophobicContact CD1-CE2 3.76Å; I85-F289 HydrophobicContact CD1-CZ 4.28Å; I85-I291 HydrophobicContact CD1-CD1 3.89Å; I85-I291 HydrophobicContact CD1-CG1 4.44Å; I85-I291 HydrophobicContact CG1-CD1 4.17Å; I85-I291 HydrophobicContact CG2-CD1 4.17Å; I85-W351 HydrophobicContact CG1-CG 4.47Å; I85-W351 PolarHBondContact O-NE1 3.4Å
86	R	96.5	Very high	96.9	Very high	148 Å²	148	21.3 Å²	21.3	56%	0.558	11%	0.109	S	C	*	.			trans	50.7	55.5	-174.5	-56.5	-176	-175	159.4	-2.5	113.8	W53 I82 P83	W53-R86 PolarHBondContact NE1-O 2.79Å; I82-R86 WeakPolarHBondContact O-CA 3.49Å; I82-R86 PolarHBondContact O-N 3.16Å; P83-R86 WeakPolarHBondContact O-CG 3.43Å; P83-R86 PolarHBondContact O-NE 3.13Å
87	P	97.9	Very high	97.1	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.032	10%	0.102	C	C	.	.			trans	-70.5	150.7	177.9	32.8	-34.5	0	0	0	111.7	V55 I82 I85 I89 V90 T130	V55-P87 HydrophobicContact CB-CB 4.35Å; V55-P87 HydrophobicContact CB-CG 4.3Å; V55-P87 HydrophobicContact CG2-CB 3.83Å; V55-P87 HydrophobicContact CG2-CG 3.84Å; I82-P87 HydrophobicContact CD1-CG 4.16Å; I82-P87 HydrophobicContact CG2-CG 4.23Å; I85-P87 HydrophobicContact CG2-CB 4.39Å; I85-P87 HydrophobicContact CG2-CG 4.42Å; P87-I89 PolarHBondContact O-N 2.91Å; P87-V90 HydrophobicContact CG-CG2 3.84Å; P87-T130 WeakPolarHBondContact O-CB 3.39Å; P87-T130 PolarHBondContact O-OG1 3.33Å
88	E	97.6	Very high	97	Very high	67 Å²	67	20.1 Å²	20.1	31%	0.313	10%	0.104	S	C	.	.	S	Bend	trans	-65.7	-33.7	172.3	-66.9	-73.7	166.5	0	0	111.8	F52 W53 T130 R131 L172 K174	F52-E88 HydrophobicContact CB-CG 3.98Å; F52-E88 HydrophobicContact CD2-CG 4.25Å; W53-E88 PolarHBondContact O-N 3.24Å; E88-T130 VanDerWaalsContact C-OG1 3.27Å; E88-T130 PolarHBondContact O-OG1 2.83Å; E88-R131 PolarHBondContact O-N 3.01Å; E88-L172 HydrophobicContact CB-CD2 4.15Å; E88-L172 HydrophobicContact CG-CD2 4.21Å; E88-K174 WeakPolarHBondContact OE1-CE 3.44Å; E88-K174 IonicContact OE1-NZ 3.56Å; E88-K174 PolarHBondContact OE1-NZ 3.38Å; E88-K174 IonicContact OE2-NZ 3.2Å; E88-K174 PolarHBondContact OE2-NZ 2.5Å
89	I	98.6	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143	-173.2	-55.9	170	0	0	0	109.7	F54 V55 P87 I91 T130 R131 F133 F170 F181	F54-I89 CarbonylContact C-O 3.56Å; F54-I89 VanDerWaalsContact CA-O 3.3Å; F54-I89 WeakPolarHBondContact CA-O 3.39Å; F54-I89 HydrophobicContact CB-CB 3.9Å; F54-I89 VanDerWaalsContact CB-O 3.32Å; F54-I89 WeakPolarHBondContact CB-O 3.38Å; V55-I89 PolarHBondContact N-O 3.08Å; P87-I89 PolarHBondContact O-N 2.91Å; I89-I91 HydrophobicContact CG2-CG1 4.05Å; I89-T130 PolarHBondContact N-OG1 2.8Å; I89-R131 CarbonylContact C-O 3.49Å; I89-R131 VanDerWaalsContact CA-O 3.28Å; I89-R131 WeakPolarHBondContact CA-O 3.1Å; I89-R131 HydrophobicContact CG1-CB 4.49Å; I89-F133 HydrophobicContact CG1-CE2 4.5Å; I89-F133 HydrophobicContact CG2-CD2 3.53Å; I89-F133 HydrophobicContact CG2-CE2 3.84Å; I89-F170 HydrophobicContact CD1-CD1 3.82Å; I89-F170 HydrophobicContact CD1-CE1 3.65Å; I89-F170 HydrophobicContact CG1-CE1 4.19Å; I89-F181 HydrophobicContact CD1-CD1 4.12Å; I89-F181 HydrophobicContact CD1-CD2 3.44Å; I89-F181 VanDerWaalsContact CD1-CD2 3.44Å; I89-F181 HydrophobicContact CD1-CE1 3.96Å; I89-F181 HydrophobicContact CD1-CE2 3.26Å; I89-F181 HydrophobicContact CD1-CG 3.88Å; I89-F181 HydrophobicContact CD1-CZ 3.54Å
90	V	98.8	Very high	96.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.4	163.2	-177.7	0	0	0	0	109	V55 I57 I82 P87 T130 R131 W132 F133	V55-V90 HydrophobicContact CB-CG1 4.48Å; V55-V90 HydrophobicContact CB-CG2 4.19Å; V55-V90 HydrophobicContact CG1-CG1 4.24Å; V55-V90 CarbonylContact O-C 3.42Å; V55-V90 WeakPolarHBondContact O-CA 3.3Å; I57-V90 HydrophobicContact CG2-CG1 4.43Å; I82-V90 HydrophobicContact CD1-CG2 3.84Å; P87-V90 HydrophobicContact CG-CG2 3.84Å; V90-T130 HydrophobicContact CB-CG2 4.35Å; V90-T130 HydrophobicContact CG2-CG2 3.51Å; V90-R131 PolarHBondContact N-O 2.91Å; V90-W132 HydrophobicContact CB-CD2 4.18Å; V90-W132 HydrophobicContact CB-CE3 3.66Å; V90-W132 HydrophobicContact CB-CZ3 3.94Å; V90-W132 HydrophobicContact CG1-CD2 4.14Å; V90-W132 HydrophobicContact CG1-CE3 3.65Å; V90-W132 HydrophobicContact CG1-CH2 3.75Å; V90-W132 HydrophobicContact CG1-CZ2 4.22Å; V90-W132 HydrophobicContact CG1-CZ3 3.45Å; V90-W132 VanDerWaalsContact CG1-CZ3 3.45Å; V90-W132 HydrophobicContact CG2-CE3 4.19Å; V90-W132 HydrophobicContact CG2-CZ3 4.29Å; V90-W132 WeakPolarHBondContact O-CA 3.22Å; V90-F133 PolarHBondContact O-N 3.32Å
91	I	98.7	Very high	96.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	176.6	-62.9	171.6	0	0	0	108.8	F54 V55 H56 I57 I89 F133 F181 F226	F54-I91 HydrophobicContact CD2-CD1 4.05Å; F54-I91 HydrophobicContact CE2-CD1 4.07Å; V55-I91 PolarHBondContact O-N 2.65Å; H56-I91 CarbonylContact C-O 3.58Å; H56-I91 WeakPolarHBondContact CA-O 3.23Å; I57-I91 WeakPolarHBondContact CG2-O 3.26Å; I57-I91 PolarHBondContact N-O 3.11Å; I57-I91 VanDerWaalsContact O-O 3.13Å; I89-I91 HydrophobicContact CG2-CG1 4.05Å; I91-F133 CarbonylContact C-O 3.51Å; I91-F133 WeakPolarHBondContact CA-O 3.46Å; I91-F181 HydrophobicContact CD1-CD1 4.02Å; I91-F181 HydrophobicContact CD1-CE1 4.47Å; I91-F226 HydrophobicContact CD1-CB 4.47Å; I91-F226 HydrophobicContact CD1-CD1 3.86Å; I91-F226 HydrophobicContact CD1-CE1 4.25Å; I91-F226 HydrophobicContact CD1-CG 4.17Å; I91-F226 HydrophobicContact CG1-CD1 4.39Å; I91-F226 HydrophobicContact CG1-CE1 4.44Å; I91-F226 HydrophobicContact CG2-CB 3.88Å; I91-F226 HydrophobicContact CG2-CD1 4.24Å; I91-F226 HydrophobicContact CG2-CD2 3.39Å; I91-F226 HydrophobicContact CG2-CE2 3.86Å; I91-F226 HydrophobicContact CG2-CG 3.58Å; I91-F226 HydrophobicContact CG2-CZ 4.45Å
92	A	98.6	Very high	96	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	100.5	169.6	0	0	0	0	0	109.9	I57 G94 W132 F133 D134 V135	I57-A92 HydrophobicContact CG2-CB 4Å; I57-A92 CarbonylContact O-C 3.57Å; I57-A92 VanDerWaalsContact O-CA 3.28Å; I57-A92 WeakPolarHBondContact O-CA 3.3Å; A92-G94 VanDerWaalsContact C-N 3.25Å; A92-G94 PolarHBondContact O-N 2.81Å; A92-W132 HydrophobicContact CB-CZ2 4.03Å; A92-F133 PolarHBondContact N-O 2.83Å; A92-D134 HydrophobicContact CB-CB 4.05Å; A92-D134 WeakPolarHBondContact O-CA 3.25Å; A92-V135 PolarHBondContact O-N 3.03Å
93	S	98.4	Very high	95.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.			trans	-85.6	43.2	-170.2	62.1	0	0	0	0	115.2	H56 I57 T58 G227 H228	H56-S93 PolarHBondContact NE2-OG 2.65Å; I57-S93 PolarHBondContact O-N 2.78Å; T58-S93 WeakPolarHBondContact CB-OG 3.37Å; T58-S93 PolarHBondContact OG1-O 2.89Å; T58-S93 PolarHBondContact OG1-OG 2.83Å; S93-G227 WeakPolarHBondContact CB-O 3.2Å; S93-H228 VanDerWaalsContact O-CA 3.24Å; S93-H228 WeakPolarHBondContact O-CA 3.35Å; S93-H228 WeakPolarHBondContact O-CB 3.34Å; S93-H228 PolarHBondContact O-ND1 2.9Å
94	G	97.7	Very high	94.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.01	15%	0.15	C	C	.	.	S	Bend	trans	91.9	-179.4	171.8	0	0	0	0	0	116.3	D59 A92 I96 V135	D59-G94 PolarHBondContact N-O 3.48Å; A92-G94 VanDerWaalsContact C-N 3.25Å; A92-G94 PolarHBondContact O-N 2.81Å; G94-I96 VanDerWaalsContact C-N 3.28Å; G94-I96 PolarHBondContact O-N 3.41Å; G94-V135 WeakPolarHBondContact CA-O 3.47Å; G94-V135 PolarHBondContact N-O 2.91Å
95	D	98.2	Very high	93.9	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	15%	0.145	C	C	.	.			trans	46.4	55.4	-164.6	-80	5.9	0	0	0	110.6	D59 L60 H61 G137 N138 H139 D140 H228	D59-D95 CarbonylContact C-O 3.53Å; L60-D95 PolarHBondContact N-O 2.8Å; H61-D95 IonicContact CE1-OD2 2.88Å; H61-D95 PolarHBondContact N-O 2.83Å; H61-D95 IonicContact NE2-OD2 3.66Å; D95-G137 VanDerWaalsContact OD1-C 3.23Å; D95-G137 WeakPolarHBondContact OD1-CA 3.39Å; D95-N138 PolarHBondContact OD1-N 2.86Å; D95-N138 PolarHBondContact OD1-OD1 3.04Å; D95-N138 PolarHBondContact OD2-OD1 2.85Å; D95-H139 HydrophobicContact CB-CB 4.35Å; D95-H139 WeakPolarHBondContact OD1-CB 3.49Å; D95-H139 IonicContact OD1-CD2 2.77Å; D95-H139 IonicContact OD1-CG 3.06Å; D95-H139 PolarHBondContact OD1-N 3.45Å; D95-H139 IonicContact OD2-CD2 3.39Å; D95-H139 PolarHBondContact OD2-CD2 2.89Å; D95-H139 IonicContact OD2-CG 3.19Å; D95-H139 IonicContact OD2-NE2 3.81Å; D95-D140 WeakPolarHBondContact CA-OD2 3.39Å; D95-D140 PolarHBondContact N-OD2 2.81Å; D95-H228 IonicContact OD1-CE1 3.95Å; D95-H228 IonicContact OD1-NE2 3.69Å; D95-H228 PolarHBondContact OD1-NE2 3.02Å; D95-H228 IonicContact OD2-CE1 3.97Å; D95-H228 IonicContact OD2-NE2 2.72Å; D95-H228 PolarHBondContact OD2-NE2 2.8Å
96	I	98.3	Very high	93.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.			trans	-65	-45.7	178	-61.2	171	0	0	0	109.2	L60 H61 F62 G94 W114 Y117 D134 D140 Y154	L60-I96 HydrophobicContact CD1-CG2 4.49Å; H61-I96 PolarHBondContact N-O 2.93Å; F62-I96 WeakPolarHBondContact CB-O 3.35Å; F62-I96 PolarHBondContact N-O 3Å; G94-I96 VanDerWaalsContact C-N 3.28Å; G94-I96 PolarHBondContact O-N 3.41Å; I96-W114 HydrophobicContact CB-CH2 4.34Å; I96-W114 HydrophobicContact CB-CZ3 4.29Å; I96-W114 HydrophobicContact CD1-CH2 4.23Å; I96-W114 HydrophobicContact CD1-CZ3 4Å; I96-W114 HydrophobicContact CG2-CZ3 4.13Å; I96-Y117 HydrophobicContact CD1-CE1 4.2Å; I96-Y117 HydrophobicContact CG2-CD1 3.56Å; I96-Y117 HydrophobicContact CG2-CD2 3.64Å; I96-Y117 HydrophobicContact CG2-CE1 3.76Å; I96-Y117 HydrophobicContact CG2-CE2 3.84Å; I96-Y117 HydrophobicContact CG2-CG 3.47Å; I96-Y117 VanDerWaalsContact CG2-CG 3.47Å; I96-D134 HydrophobicContact CD1-CB 3.92Å; I96-D140 WeakPolarHBondContact CB-OD1 3.44Å; I96-D140 PolarHBondContact N-OD1 3.03Å; I96-D140 PolarHBondContact N-OD2 3.21Å; I96-Y154 HydrophobicContact CD1-CD2 4.09Å; I96-Y154 HydrophobicContact CD1-CE2 4.01Å
97	T	97.2	Very high	93.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-106.5	158.4	179.3	59.8	0	0	0	0	111.3	E113 W114 H139 D140	T97-E113 HydrophobicContact CG2-CB 3.8Å; T97-W114 HydrophobicContact CG2-CD2 3.57Å; T97-W114 VanDerWaalsContact CG2-CE2 3.42Å; T97-W114 HydrophobicContact CG2-CE3 4.1Å; T97-W114 HydrophobicContact CG2-CG 3.84Å; T97-W114 HydrophobicContact CG2-CH2 4.35Å; T97-W114 HydrophobicContact CG2-CZ2 3.87Å; T97-W114 HydrophobicContact CG2-CZ3 4.45Å; T97-H139 WeakPolarHBondContact O-CB 3.07Å; T97-D140 PolarHBondContact N-OD1 3.45Å; T97-D140 PolarHBondContact OG1-OD1 3.09Å
98	D	95.6	Very high	92.8	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.032	15%	0.153	C	C	.	.			trans	-81.4	-33.2	174.4	-158.9	18.5	0	0	0	110.8	H61 F62 S63 R70 K100 E113 H139	H61-D98 HydrophobicContact CB-CB 4.28Å; H61-D98 IonicContact ND1-OD1 3.8Å; H61-D98 PolarHBondContact ND1-OD1 3.14Å; F62-D98 PolarHBondContact O-N 3.09Å; S63-D98 VanDerWaalsContact CB-OD2 3.29Å; S63-D98 WeakPolarHBondContact CB-OD2 3.48Å; S63-D98 PolarHBondContact OG-OD2 2.7Å; R70-D98 IonicContact NH1-OD2 3.9Å; D98-K100 WeakPolarHBondContact O-CG 3.32Å; D98-K100 PolarHBondContact O-N 2.94Å; D98-E113 PolarHBondContact N-OE2 3.13Å; D98-H139 PolarHBondContact O-ND1 2.8Å; D98-H139 IonicContact OD1-ND1 3.76Å
99	G	94	Very high	92.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.			trans	57.9	22.3	177.4	0	0	0	0	0	113.3	S107 S108 E113	G99-S107 CarbonylContact O-C 3.16Å; G99-S107 WeakPolarHBondContact O-CA 3.48Å; G99-S107 VanDerWaalsContact O-CB 3.28Å; G99-S107 WeakPolarHBondContact O-CB 3.49Å; G99-S108 CarbonylContact C-O 3.57Å; G99-S108 WeakPolarHBondContact CA-O 3.27Å; G99-S108 PolarHBondContact O-N 3.02Å; G99-S108 VanDerWaalsContact O-O 3.13Å; G99-E113 PolarHBondContact N-OE2 3.17Å
100	K	92.5	Very high	92.5	Very high	18 Å²	18	27.4 Å²	27.4	8%	0.078	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-106.4	142.3	-178.4	-73.7	-58.6	-165	146.6	0	110.6	F65 D98 F104 F142	F65-K100 VanDerWaalsContact CD2-O 3.26Å; F65-K100 WeakPolarHBondContact CD2-O 2.95Å; F65-K100 WeakPolarHBondContact CE2-O 3.42Å; D98-K100 WeakPolarHBondContact O-CG 3.32Å; D98-K100 PolarHBondContact O-N 2.94Å; K100-F104 HydrophobicContact CB-CD1 3.85Å; K100-F104 HydrophobicContact CB-CE1 4.4Å; K100-F104 HydrophobicContact CG-CD1 4.24Å; K100-F104 PolarHBondContact NZ-O 3Å; K100-F142 HydrophobicContact CD-CE2 4.49Å
101	G	87.8	Confident	92.3	Very high	10 Å²	10	29 Å²	29	10%	0.103	16%	0.161	C	C	.	.			trans	-73.7	172.8	172.3	0	0	0	0	0	112.7	F65 T103 F104 S106	F65-G101 VanDerWaalsContact CD2-C 3.5Å; G101-T103 PolarHBondContact O-N 2.84Å; G101-F104 WeakPolarHBondContact O-CA 3.34Å; G101-F104 PolarHBondContact O-N 3.48Å; G101-S106 PolarHBondContact N-O 3.22Å
102	K	86.8	Confident	92.2	Very high	167 Å²	167	32.5 Å²	32.5	73%	0.726	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-33.3	-179.1	-173.8	176.1	-178.8	176.5	0	114.9	F65	F65-K102 HydrophobicContact CD1-CB 3.88Å; F65-K102 HydrophobicContact CD1-CG 4.12Å; F65-K102 HydrophobicContact CD2-CB 4.47Å; F65-K102 HydrophobicContact CE1-CB 4.07Å; F65-K102 HydrophobicContact CG-CB 4.09Å; F65-K102 HydrophobicContact CZ-CB 4.44Å
103	T	82.7	Confident	92.2	Very high	100 Å²	100	32.5 Å²	32.5	61%	0.613	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-1	179.3	56	0	0	0	0	113.3	G101 S105	G101-T103 PolarHBondContact O-N 2.84Å; T103-S105 PolarHBondContact O-N 2.91Å; T103-S105 PolarHBondContact OG1-OG 2.91Å
104	F	81.1	Confident	92.1	Very high	89 Å²	89	32.5 Å²	32.5	39%	0.39	18%	0.177	S	C	.	.	S	Bend	trans	58.8	-2.1	-174.8	-60.2	-89.7	0	0	0	116.2	F65 K100 G101	F65-F104 HydrophobicContact CB-CZ 4.23Å; K100-F104 HydrophobicContact CB-CD1 3.85Å; K100-F104 HydrophobicContact CB-CE1 4.4Å; K100-F104 HydrophobicContact CG-CD1 4.24Å; K100-F104 PolarHBondContact NZ-O 3Å; G101-F104 WeakPolarHBondContact O-CA 3.34Å; G101-F104 PolarHBondContact O-N 3.48Å
105	S	79.2	Confident	92.1	Very high	26 Å²	26	37.7 Å²	37.7	18%	0.182	20%	0.196	C	C	.	.	S	Bend	trans	-89.6	-12	178	58.2	0	0	0	0	113.9	T103	T103-S105 PolarHBondContact O-N 2.91Å; T103-S105 PolarHBondContact OG1-OG 2.91Å
106	S	85.1	Confident	92.1	Very high	41 Å²	41	39.7 Å²	39.7	29%	0.287	21%	0.207	S	C	.	.	S	Bend	trans	-116	158.1	171	63	0	0	0	0	110.2	G101	G101-S106 PolarHBondContact N-O 3.22Å
107	S	91.3	Very high	92.1	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.028	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-137.2	134.8	176.5	62.3	0	0	0	0	111.7	G99 K193 W194	G99-S107 CarbonylContact O-C 3.16Å; G99-S107 WeakPolarHBondContact O-CA 3.48Å; G99-S107 VanDerWaalsContact O-CB 3.28Å; G99-S107 WeakPolarHBondContact O-CB 3.49Å; S107-K193 WeakPolarHBondContact OG-CA 3.45Å; S107-K193 VanDerWaalsContact OG-CB 3.31Å; S107-K193 WeakPolarHBondContact OG-CB 3.47Å; S107-W194 PolarHBondContact OG-N 2.73Å
108	S	90.7	Very high	92.1	Very high	64 Å²	64	40.5 Å²	40.5	45%	0.448	21%	0.212	S	C	.	.			trans	-163.9	155.2	175.7	55.1	0	0	0	0	108.6	G99 N110	G99-S108 CarbonylContact C-O 3.57Å; G99-S108 WeakPolarHBondContact CA-O 3.27Å; G99-S108 PolarHBondContact O-N 3.02Å; G99-S108 VanDerWaalsContact O-O 3.13Å; S108-N110 PolarHBondContact O-N 3.32Å
109	Q	94.5	Very high	92.2	Very high	22 Å²	22	42.7 Å²	42.7	10%	0.103	23%	0.228	C	C	.	.			trans	-64.2	135.3	172.5	-64.5	-53.3	-56.9	0	0	112.1	H139 F142 V144 G151 Y153	Q109-H139 PolarHBondContact NE2-O 3.18Å; Q109-F142 WeakPolarHBondContact CG-O 3.45Å; Q109-F142 PolarHBondContact N-O 3.5Å; Q109-F142 PolarHBondContact NE2-O 3.43Å; Q109-V144 HydrophobicContact CG-CG2 3.53Å; Q109-G151 WeakPolarHBondContact CG-O 3.18Å; Q109-Y153 HydrophobicContact CB-CD2 3.77Å; Q109-Y153 HydrophobicContact CB-CE2 3.87Å
110	N	94.8	Very high	92.4	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.134	23%	0.233	C	C	.	.			trans	-116.4	115.9	176.4	-177.8	-11.2	0	0	0	110	E64 S108 E112 E113 W114	E64-N110 VanDerWaalsContact CB-ND2 3.33Å; E64-N110 WeakPolarHBondContact CB-ND2 3.33Å; S108-N110 PolarHBondContact O-N 3.32Å; N110-E112 PolarHBondContact O-N 2.97Å; N110-E112 WeakPolarHBondContact OD1-CB 3.47Å; N110-E112 PolarHBondContact OD1-N 3.04Å; N110-E113 HydrophobicContact CB-CB 4.49Å; N110-E113 HydrophobicContact CB-CG 3.87Å; N110-E113 PolarHBondContact O-N 3.27Å; N110-W114 VanDerWaalsContact O-CD1 3.32Å
111	P	95.8	Very high	92.7	Very high	35 Å²	35	42.8 Å²	42.8	23%	0.227	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-22.7	-177.3	27.3	-35.3	0	0	0	114	R115 Y153	P111-R115 WeakPolarHBondContact O-CB 3.38Å; P111-R115 PolarHBondContact O-N 3.12Å; P111-Y153 HydrophobicContact CB-CD2 4.45Å; P111-Y153 HydrophobicContact CB-CE1 4.06Å; P111-Y153 HydrophobicContact CB-CE2 3.96Å; P111-Y153 HydrophobicContact CG-CE2 4.41Å
112	E	96.5	Very high	93.2	Very high	73 Å²	73	49.1 Å²	49.1	34%	0.341	25%	0.254	S	S	.	.	H	α-helix	trans	-67.3	-39.7	175.5	-59.2	-54	141.4	0	0	111.3	N110 W114 R115 D116	N110-E112 PolarHBondContact O-N 2.97Å; N110-E112 WeakPolarHBondContact OD1-CB 3.47Å; N110-E112 PolarHBondContact OD1-N 3.04Å; E112-W114 VanDerWaalsContact C-N 3.32Å; E112-W114 PolarHBondContact O-N 3.31Å; E112-R115 PolarHBondContact O-N 3.07Å; E112-R115 IonicContact OE1-CZ 3.27Å; E112-R115 IonicContact OE1-NH1 2.73Å; E112-R115 PolarHBondContact OE1-NH1 2.82Å; E112-R115 IonicContact OE1-NH2 3.15Å; E112-R115 PolarHBondContact OE1-NH2 3.34Å; E112-R115 IonicContact OE2-CZ 2.98Å; E112-R115 IonicContact OE2-NH1 3.29Å; E112-R115 PolarHBondContact OE2-NH1 3.28Å; E112-R115 IonicContact OE2-NH2 2.72Å; E112-D116 WeakPolarHBondContact O-CB 3.34Å; E112-D116 PolarHBondContact O-N 2.83Å
113	E	97.4	Very high	93.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-41.1	179.4	-60.2	-178.9	169.3	0	0	111.3	F62 S63 E64 T97 D98 G99 N110 Y117	F62-E113 HydrophobicContact CB-CB 4.4Å; F62-E113 VanDerWaalsContact O-CD 3.23Å; S63-E113 VanDerWaalsContact CA-OE1 3.25Å; S63-E113 WeakPolarHBondContact CA-OE1 3.4Å; S63-E113 WeakPolarHBondContact CB-OE1 3.36Å; E64-E113 HydrophobicContact CB-CG 4.26Å; E64-E113 PolarHBondContact N-OE1 2.98Å; T97-E113 HydrophobicContact CG2-CB 3.8Å; D98-E113 PolarHBondContact N-OE2 3.13Å; G99-E113 PolarHBondContact N-OE2 3.17Å; N110-E113 HydrophobicContact CB-CB 4.49Å; N110-E113 HydrophobicContact CB-CG 3.87Å; N110-E113 PolarHBondContact O-N 3.27Å; E113-Y117 PolarHBondContact O-N 3.28Å
114	W	97.6	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-37.7	175.6	-72.2	101.5	0	0	0	112.8	I96 T97 N110 E112 Y117 S118 D140 Y153 Y154 F157	I96-W114 HydrophobicContact CB-CH2 4.34Å; I96-W114 HydrophobicContact CB-CZ3 4.29Å; I96-W114 HydrophobicContact CD1-CH2 4.23Å; I96-W114 HydrophobicContact CD1-CZ3 4Å; I96-W114 HydrophobicContact CG2-CZ3 4.13Å; T97-W114 HydrophobicContact CG2-CD2 3.57Å; T97-W114 VanDerWaalsContact CG2-CE2 3.42Å; T97-W114 HydrophobicContact CG2-CE3 4.1Å; T97-W114 HydrophobicContact CG2-CG 3.84Å; T97-W114 HydrophobicContact CG2-CH2 4.35Å; T97-W114 HydrophobicContact CG2-CZ2 3.87Å; T97-W114 HydrophobicContact CG2-CZ3 4.45Å; N110-W114 VanDerWaalsContact O-CD1 3.32Å; E112-W114 VanDerWaalsContact C-N 3.32Å; E112-W114 PolarHBondContact O-N 3.31Å; W114-Y117 PolarHBondContact O-N 2.69Å; W114-S118 WeakPolarHBondContact O-CB 3.32Å; W114-S118 PolarHBondContact O-N 3.44Å; W114-D140 HydrophobicContact CH2-CB 3.84Å; W114-D140 HydrophobicContact CZ2-CB 3.79Å; W114-Y153 AromaticContact CD1-CD2 3.66Å; W114-Y153 AromaticContact CD1-CG 3.86Å; W114-Y153 VanDerWaalsContact CG-CB 3.43Å; W114-Y153 HydrophobicContact CG-CD2 4.48Å; W114-Y153 HydrophobicContact CG-CG 4.27Å; W114-Y154 AromaticContact CH2-CD2 3.79Å; W114-Y154 HydrophobicContact CH2-CD2 3.79Å; W114-Y154 HydrophobicContact CH2-CG 4.16Å; W114-Y154 AromaticContact CZ3-CD2 3.82Å; W114-Y154 HydrophobicContact CZ3-CD2 3.82Å; W114-Y154 HydrophobicContact CZ3-CG 4.43Å; W114-F157 HydrophobicContact CB-CB 4Å; W114-F157 HydrophobicContact CB-CD2 3.6Å; W114-F157 HydrophobicContact CB-CE2 4.24Å; W114-F157 HydrophobicContact CB-CG 3.85Å; W114-F157 HydrophobicContact CE3-CB 4.09Å; W114-F157 HydrophobicContact CG-CD2 4.37Å
115	R	97.6	Very high	95.2	Very high	109 Å²	109	40.6 Å²	40.6	41%	0.411	22%	0.219	S	C	.	.	H	α-helix	trans	-66.8	-42.2	174.2	-86.5	-173.7	-98.7	127.9	-1.1	111.8	P111 E112 S118 S119 F157	P111-R115 WeakPolarHBondContact O-CB 3.38Å; P111-R115 PolarHBondContact O-N 3.12Å; E112-R115 PolarHBondContact O-N 3.07Å; E112-R115 IonicContact OE1-CZ 3.27Å; E112-R115 IonicContact OE1-NH1 2.73Å; E112-R115 PolarHBondContact OE1-NH1 2.82Å; E112-R115 IonicContact OE1-NH2 3.15Å; E112-R115 PolarHBondContact OE1-NH2 3.34Å; E112-R115 IonicContact OE2-CZ 2.98Å; E112-R115 IonicContact OE2-NH1 3.29Å; E112-R115 PolarHBondContact OE2-NH1 3.28Å; E112-R115 IonicContact OE2-NH2 2.72Å; R115-S118 PolarHBondContact O-N 3.27Å; R115-S119 WeakPolarHBondContact O-CB 3.16Å; R115-S119 PolarHBondContact O-N 3.18Å; R115-S119 PolarHBondContact O-OG 3.38Å; R115-F157 HydrophobicContact CG-CD1 4.24Å; R115-F157 HydrophobicContact CG-CE1 3.44Å; R115-F157 VanDerWaalsContact CG-CE1 3.44Å; R115-F157 HydrophobicContact CG-CZ 3.66Å
116	D	97.3	Very high	96.2	Very high	45 Å²	45	39.4 Å²	39.4	24%	0.241	21%	0.211	C	C	.	.	H	α-helix	trans	-56.3	-52.7	172.8	-80.3	-2.7	0	0	0	109.9	F62 K68 E112 S118 S119 L120	F62-D116 HydrophobicContact CD1-CB 3.72Å; F62-D116 HydrophobicContact CE1-CB 4.09Å; K68-D116 IonicContact NZ-OD2 2.94Å; K68-D116 PolarHBondContact NZ-OD2 3.32Å; E112-D116 WeakPolarHBondContact O-CB 3.34Å; E112-D116 PolarHBondContact O-N 2.83Å; D116-S118 PolarHBondContact O-N 2.95Å; D116-S119 PolarHBondContact O-N 3.2Å; D116-S119 PolarHBondContact O-OG 3.41Å; D116-L120 WeakPolarHBondContact O-CG 3.29Å; D116-L120 PolarHBondContact O-N 2.82Å
117	Y	98.1	Very high	96.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-54.8	-53.5	178.3	176.1	-115.1	0	0	0	112.8	L60 F62 F74 I96 E113 W114 S119 L120 L121 W132 D134	L60-Y117 HydrophobicContact CD1-CD2 4.23Å; L60-Y117 HydrophobicContact CD1-CE2 3.7Å; F62-Y117 HydrophobicContact CD2-CD2 4.29Å; F62-Y117 VanDerWaalsContact CE1-CA 3.5Å; F62-Y117 AromaticContact CE2-CD2 3.92Å; F62-Y117 HydrophobicContact CE2-CD2 3.92Å; F62-Y117 HydrophobicContact CZ-CD2 4.09Å; F74-Y117 HydrophobicContact CE1-CD2 4.45Å; F74-Y117 HydrophobicContact CE1-CE2 4.41Å; F74-Y117 HydrophobicContact CZ-CD2 4.38Å; F74-Y117 AromaticContact CZ-CE2 3.95Å; F74-Y117 HydrophobicContact CZ-CE2 3.95Å; I96-Y117 HydrophobicContact CD1-CE1 4.2Å; I96-Y117 HydrophobicContact CG2-CD1 3.56Å; I96-Y117 HydrophobicContact CG2-CD2 3.64Å; I96-Y117 HydrophobicContact CG2-CE1 3.76Å; I96-Y117 HydrophobicContact CG2-CE2 3.84Å; I96-Y117 HydrophobicContact CG2-CG 3.47Å; I96-Y117 VanDerWaalsContact CG2-CG 3.47Å; E113-Y117 PolarHBondContact O-N 3.28Å; W114-Y117 PolarHBondContact O-N 2.69Å; Y117-S119 VanDerWaalsContact C-N 3.32Å; Y117-S119 PolarHBondContact O-N 3.4Å; Y117-L120 PolarHBondContact O-N 2.87Å; Y117-L121 HydrophobicContact CD1-CD1 4.23Å; Y117-L121 HydrophobicContact CD2-CD1 4.34Å; Y117-L121 HydrophobicContact CE1-CD1 3.68Å; Y117-L121 HydrophobicContact CE2-CD1 3.8Å; Y117-L121 HydrophobicContact CE2-CG 4.19Å; Y117-L121 VanDerWaalsContact CZ-CD1 3.46Å; Y117-L121 WeakPolarHBondContact O-CG 3.28Å; Y117-L121 PolarHBondContact O-N 2.82Å; Y117-W132 PolarHBondContact OH-NE1 2.97Å; Y117-D134 PolarHBondContact OH-OD2 3.1Å
118	S	98	Very high	97	Very high	16 Å²	16	47.7 Å²	47.7	11%	0.112	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-37.6	-178.8	-167.7	0	0	0	0	112.3	W114 R115 D116 K122	W114-S118 WeakPolarHBondContact O-CB 3.32Å; W114-S118 PolarHBondContact O-N 3.44Å; R115-S118 PolarHBondContact O-N 3.27Å; D116-S118 PolarHBondContact O-N 2.95Å; S118-K122 VanDerWaalsContact O-CG 3.32Å; S118-K122 WeakPolarHBondContact O-CG 3.28Å; S118-K122 PolarHBondContact O-N 3.25Å; S118-K122 PolarHBondContact OG-NZ 3.35Å
119	S	98	Very high	97.3	Very high	52 Å²	52	49.6 Å²	49.6	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-71.1	-41.9	-179.6	68.9	0	0	0	0	112.3	R115 D116 Y117 K122 Q123	R115-S119 WeakPolarHBondContact O-CB 3.16Å; R115-S119 PolarHBondContact O-N 3.18Å; R115-S119 PolarHBondContact O-OG 3.38Å; D116-S119 PolarHBondContact O-N 3.2Å; D116-S119 PolarHBondContact O-OG 3.41Å; Y117-S119 VanDerWaalsContact C-N 3.32Å; Y117-S119 PolarHBondContact O-N 3.4Å; S119-K122 PolarHBondContact O-N 2.73Å; S119-Q123 VanDerWaalsContact O-CB 3.28Å; S119-Q123 WeakPolarHBondContact O-CB 3.3Å; S119-Q123 PolarHBondContact O-N 3Å
120	L	98.3	Very high	97.4	Very high	19 Å²	19	49.1 Å²	49.1	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-67.9	-36.3	178.6	-66.8	-171.3	0	0	0	112.4	F62 Q71 F74 L75 D116 Y117 K122 Q123 S124	F62-L120 HydrophobicContact CE1-CD1 3.62Å; F62-L120 HydrophobicContact CE1-CG 4.35Å; F62-L120 HydrophobicContact CZ-CD1 3.89Å; Q71-L120 HydrophobicContact CB-CD1 3.91Å; Q71-L120 WeakPolarHBondContact O-CD1 3.08Å; F74-L120 HydrophobicContact CD1-CB 4.37Å; L75-L120 HydrophobicContact CB-CD1 4.32Å; L75-L120 HydrophobicContact CB-CD2 4.23Å; L75-L120 HydrophobicContact CD1-CD2 4.28Å; L75-L120 HydrophobicContact CD2-CD2 4.14Å; L75-L120 HydrophobicContact CG-CD2 4.45Å; D116-L120 WeakPolarHBondContact O-CG 3.29Å; D116-L120 PolarHBondContact O-N 2.82Å; Y117-L120 PolarHBondContact O-N 2.87Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.22Å; L120-Q123 PolarHBondContact O-N 2.88Å; L120-S124 VanDerWaalsContact O-CB 3.3Å; L120-S124 WeakPolarHBondContact O-CB 3.43Å; L120-S124 PolarHBondContact O-N 2.83Å; L120-S124 PolarHBondContact O-OG 2.84Å
121	L	98.3	Very high	97.6	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-41.3	170.9	-75.9	177.3	0	0	0	112.1	F74 Y117 S124 V126 L127 W132 V159	F74-L121 HydrophobicContact CE1-CD2 3.98Å; F74-L121 HydrophobicContact CE1-CG 4.28Å; F74-L121 HydrophobicContact CZ-CD2 3.85Å; F74-L121 HydrophobicContact CZ-CG 4.44Å; Y117-L121 HydrophobicContact CD1-CD1 4.23Å; Y117-L121 HydrophobicContact CD2-CD1 4.34Å; Y117-L121 HydrophobicContact CE1-CD1 3.68Å; Y117-L121 HydrophobicContact CE2-CD1 3.8Å; Y117-L121 HydrophobicContact CE2-CG 4.19Å; Y117-L121 VanDerWaalsContact CZ-CD1 3.46Å; Y117-L121 WeakPolarHBondContact O-CG 3.28Å; Y117-L121 PolarHBondContact O-N 2.82Å; L121-S124 PolarHBondContact O-OG 2.87Å; L121-V126 HydrophobicContact CD2-CG1 3.59Å; L121-L127 HydrophobicContact CB-CD1 4.21Å; L121-L127 HydrophobicContact CB-CD2 4.49Å; L121-L127 HydrophobicContact CB-CG 4.29Å; L121-L127 HydrophobicContact CD2-CD2 4.46Å; L121-W132 HydrophobicContact CD2-CD2 3.88Å; L121-W132 HydrophobicContact CD2-CE3 3.91Å; L121-W132 HydrophobicContact CD2-CH2 3.88Å; L121-W132 HydrophobicContact CD2-CZ2 3.84Å; L121-W132 HydrophobicContact CD2-CZ3 3.9Å; L121-V159 HydrophobicContact CD1-CG2 3.65Å
122	K	97.9	Very high	97.7	Very high	143 Å²	143	52.9 Å²	52.9	62%	0.622	26%	0.262	S	S	*	.	H	α-helix	trans	-71.4	-46.2	177.1	-70.4	168.5	-173.5	165.5	0	111.9	S118 S119 L120 S124 G125	S118-K122 VanDerWaalsContact O-CG 3.32Å; S118-K122 WeakPolarHBondContact O-CG 3.28Å; S118-K122 PolarHBondContact O-N 3.25Å; S118-K122 PolarHBondContact OG-NZ 3.35Å; S119-K122 PolarHBondContact O-N 2.73Å; L120-K122 VanDerWaalsContact C-N 3.32Å; L120-K122 PolarHBondContact O-N 3.22Å; K122-S124 PolarHBondContact O-N 3.41Å; K122-G125 PolarHBondContact O-N 3.25Å; K122-G125 VanDerWaalsContact O-N 3.1Å
123	Q	97.9	Very high	97.8	Very high	136 Å²	136	51.5 Å²	51.5	64%	0.636	26%	0.255	S	S	*	.	H	α-helix	trans	-62.3	-41.3	-177.8	-178.5	-176.7	1.4	0	0	111.9	L75 S119 L120 G125	L75-Q123 HydrophobicContact CD1-CG 4.36Å; S119-Q123 VanDerWaalsContact O-CB 3.28Å; S119-Q123 WeakPolarHBondContact O-CB 3.3Å; S119-Q123 PolarHBondContact O-N 3Å; L120-Q123 PolarHBondContact O-N 2.88Å; Q123-G125 PolarHBondContact O-N 3.4Å
124	S	98	Very high	97.8	Very high	19 Å²	19	51.6 Å²	51.6	13%	0.133	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.7	176.9	58.8	0	0	0	0	113.5	C78 L120 L121 K122 V126	C78-S124 VanDerWaalsContact CB-CB 3.45Å; C78-S124 WeakPolarHBondContact CB-OG 3.34Å; L120-S124 VanDerWaalsContact O-CB 3.3Å; L120-S124 WeakPolarHBondContact O-CB 3.43Å; L120-S124 PolarHBondContact O-N 2.83Å; L120-S124 PolarHBondContact O-OG 2.84Å; L121-S124 PolarHBondContact O-OG 2.87Å; K122-S124 PolarHBondContact O-N 3.41Å; S124-V126 PolarHBondContact O-N 3.17Å; S124-V126 WeakPolarHBondContact OG-CG1 3.28Å; S124-V126 PolarHBondContact OG-N 3.35Å
125	G	98.1	Very high	97.8	Very high	22 Å²	22	51.7 Å²	51.7	23%	0.227	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	8.1	-173.1	0	0	0	0	0	114	K122 Q123 L127 N128	K122-G125 PolarHBondContact O-N 3.25Å; K122-G125 VanDerWaalsContact O-N 3.1Å; Q123-G125 PolarHBondContact O-N 3.4Å; G125-L127 PolarHBondContact O-N 2.76Å; G125-N128 WeakPolarHBondContact O-CB 3.3Å; G125-N128 PolarHBondContact O-N 2.95Å
126	V	98.2	Very high	97.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-32.7	-172.8	74	0	0	0	0	112.7	C78 I82 L121 S124 N128 L129 T130 W132	C78-V126 HydrophobicContact CB-CB 4.03Å; C78-V126 HydrophobicContact CB-CG1 4.25Å; C78-V126 HydrophobicContact CB-CG2 4.27Å; I82-V126 HydrophobicContact CB-CG2 4.08Å; I82-V126 HydrophobicContact CG1-CG2 4.19Å; I82-V126 HydrophobicContact CG2-CG2 3.68Å; L121-V126 HydrophobicContact CD2-CG1 3.59Å; S124-V126 PolarHBondContact O-N 3.17Å; S124-V126 WeakPolarHBondContact OG-CG1 3.28Å; S124-V126 PolarHBondContact OG-N 3.35Å; V126-N128 PolarHBondContact O-N 2.79Å; V126-L129 PolarHBondContact O-N 2.82Å; V126-T130 HydrophobicContact CG2-CG2 4Å; V126-T130 PolarHBondContact O-N 3.14Å; V126-T130 VanDerWaalsContact O-N 3.12Å; V126-W132 HydrophobicContact CG1-CE3 4.07Å; V126-W132 HydrophobicContact CG1-CZ3 4.2Å; V126-W132 HydrophobicContact CG2-CE3 4.26Å; V126-W132 HydrophobicContact CG2-CZ3 4.19Å
127	L	97.6	Very high	97.8	Very high	67 Å²	67	44.9 Å²	44.9	35%	0.351	23%	0.227	S	C	.	.	H	α-helix	trans	-65.6	-17.9	178.2	-57.3	-178.6	0	0	0	113.7	L121 G125 W132 V159	L121-L127 HydrophobicContact CB-CD1 4.21Å; L121-L127 HydrophobicContact CB-CD2 4.49Å; L121-L127 HydrophobicContact CB-CG 4.29Å; L121-L127 HydrophobicContact CD2-CD2 4.46Å; G125-L127 PolarHBondContact O-N 2.76Å; L127-W132 HydrophobicContact CD2-CB 3.57Å; L127-W132 HydrophobicContact CD2-CG 4.06Å; L127-V159 HydrophobicContact CD2-CG2 4.18Å
128	N	97	Very high	97.7	Very high	152 Å²	152	45.3 Å²	45.3	81%	0.813	23%	0.229	S	C	*	.	H	α-helix	trans	-90.2	-16	173.6	-62.5	-32.6	0	0	0	112.4	G125 V126	G125-N128 WeakPolarHBondContact O-CB 3.3Å; G125-N128 PolarHBondContact O-N 2.95Å; V126-N128 PolarHBondContact O-N 2.79Å
129	L	96.3	Very high	97.6	Very high	104 Å²	104	45.7 Å²	45.7	55%	0.545	23%	0.229	S	C	.	.	H	α-helix	trans	-96.3	-32.4	-175.3	-64.7	175.7	0	0	0	112.7	P83 V126	P83-L129 HydrophobicContact CB-CD1 4.34Å; P83-L129 HydrophobicContact CG-CD1 3.76Å; V126-L129 PolarHBondContact O-N 2.82Å
130	T	97.7	Very high	97.6	Very high	12 Å²	12	43.3 Å²	43.3	7%	0.074	21%	0.212	C	C	.	.	S	Bend	trans	-149.9	159.4	-174	-169.9	0	0	0	0	110.9	I82 P87 E88 I89 V90 V126 W132	I82-T130 HydrophobicContact CG2-CG2 4.06Å; P87-T130 WeakPolarHBondContact O-CB 3.39Å; P87-T130 PolarHBondContact O-OG1 3.33Å; E88-T130 VanDerWaalsContact C-OG1 3.27Å; E88-T130 PolarHBondContact O-OG1 2.83Å; I89-T130 PolarHBondContact N-OG1 2.8Å; V90-T130 HydrophobicContact CB-CG2 4.35Å; V90-T130 HydrophobicContact CG2-CG2 3.51Å; V126-T130 HydrophobicContact CG2-CG2 4Å; V126-T130 PolarHBondContact O-N 3.14Å; V126-T130 VanDerWaalsContact O-N 3.12Å; T130-W132 PolarHBondContact O-N 2.72Å
131	R	97.9	Very high	97.4	Very high	130 Å²	130	42.4 Å²	42.4	49%	0.491	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.6	173.9	-61.1	-178	-165.3	-151.7	2.7	108.8	E88 I89 V90 F133	E88-R131 PolarHBondContact O-N 3.01Å; I89-R131 CarbonylContact C-O 3.49Å; I89-R131 VanDerWaalsContact CA-O 3.28Å; I89-R131 WeakPolarHBondContact CA-O 3.1Å; I89-R131 HydrophobicContact CG1-CB 4.49Å; V90-R131 PolarHBondContact N-O 2.91Å; R131-F133 HydrophobicContact CB-CE2 3.99Å; R131-F133 HydrophobicContact CB-CZ 4.36Å
132	W	98.2	Very high	97.2	Very high	9 Å²	9	42.4 Å²	42.4	3%	0.034	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126	179.5	-168.6	-75.2	0	0	0	110.3	I57 F74 V90 A92 Y117 L121 V126 L127 T130 V159	I57-W132 HydrophobicContact CG2-CZ2 4.5Å; F74-W132 AromaticContact CE2-CH2 3.75Å; F74-W132 HydrophobicContact CE2-CH2 3.75Å; F74-W132 HydrophobicContact CE2-CZ2 4.04Å; F74-W132 AromaticContact CZ-CH2 3.53Å; F74-W132 HydrophobicContact CZ-CH2 3.53Å; F74-W132 AromaticContact CZ-CZ2 3.72Å; F74-W132 HydrophobicContact CZ-CZ2 3.72Å; V90-W132 HydrophobicContact CB-CD2 4.18Å; V90-W132 HydrophobicContact CB-CE3 3.66Å; V90-W132 HydrophobicContact CB-CZ3 3.94Å; V90-W132 HydrophobicContact CG1-CD2 4.14Å; V90-W132 HydrophobicContact CG1-CE3 3.65Å; V90-W132 HydrophobicContact CG1-CH2 3.75Å; V90-W132 HydrophobicContact CG1-CZ2 4.22Å; V90-W132 HydrophobicContact CG1-CZ3 3.45Å; V90-W132 VanDerWaalsContact CG1-CZ3 3.45Å; V90-W132 HydrophobicContact CG2-CE3 4.19Å; V90-W132 HydrophobicContact CG2-CZ3 4.29Å; V90-W132 WeakPolarHBondContact O-CA 3.22Å; A92-W132 HydrophobicContact CB-CZ2 4.03Å; Y117-W132 PolarHBondContact OH-NE1 2.97Å; L121-W132 HydrophobicContact CD2-CD2 3.88Å; L121-W132 HydrophobicContact CD2-CE3 3.91Å; L121-W132 HydrophobicContact CD2-CH2 3.88Å; L121-W132 HydrophobicContact CD2-CZ2 3.84Å; L121-W132 HydrophobicContact CD2-CZ3 3.9Å; V126-W132 HydrophobicContact CG1-CE3 4.07Å; V126-W132 HydrophobicContact CG1-CZ3 4.2Å; V126-W132 HydrophobicContact CG2-CE3 4.26Å; V126-W132 HydrophobicContact CG2-CZ3 4.19Å; L127-W132 HydrophobicContact CD2-CB 3.57Å; L127-W132 HydrophobicContact CD2-CG 4.06Å; T130-W132 PolarHBondContact O-N 2.72Å; W132-V159 HydrophobicContact CB-CG1 4.31Å; W132-V159 HydrophobicContact CG-CG2 4.28Å; W132-V159 VanDerWaalsContact O-CG1 3.27Å; W132-V159 WeakPolarHBondContact O-CG1 3.42Å
133	F	98.2	Very high	97	Very high	45 Å²	45	36.4 Å²	36.4	20%	0.197	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.3	172.9	-62.3	-73	0	0	0	110	I89 V90 I91 A92 R131 S160 F170 F226	I89-F133 HydrophobicContact CG1-CE2 4.5Å; I89-F133 HydrophobicContact CG2-CD2 3.53Å; I89-F133 HydrophobicContact CG2-CE2 3.84Å; V90-F133 PolarHBondContact O-N 3.32Å; I91-F133 CarbonylContact C-O 3.51Å; I91-F133 WeakPolarHBondContact CA-O 3.46Å; A92-F133 PolarHBondContact N-O 2.83Å; R131-F133 HydrophobicContact CB-CE2 3.99Å; R131-F133 HydrophobicContact CB-CZ 4.36Å; F133-S160 WeakPolarHBondContact CA-OG 3.43Å; F133-F170 HydrophobicContact CE1-CB 4.17Å; F133-F170 HydrophobicContact CE1-CG 4.24Å; F133-F170 HydrophobicContact CE2-CB 4.12Å; F133-F170 AromaticContact CE2-CD1 3.61Å; F133-F170 HydrophobicContact CE2-CD1 3.61Å; F133-F170 HydrophobicContact CE2-CD2 4.41Å; F133-F170 HydrophobicContact CE2-CE1 4.22Å; F133-F170 AromaticContact CE2-CG 3.74Å; F133-F170 HydrophobicContact CE2-CG 3.74Å; F133-F170 HydrophobicContact CZ-CB 3.68Å; F133-F170 AromaticContact CZ-CD1 3.71Å; F133-F170 HydrophobicContact CZ-CD1 3.71Å; F133-F170 AromaticContact CZ-CD2 3.68Å; F133-F170 HydrophobicContact CZ-CD2 3.68Å; F133-F170 HydrophobicContact CZ-CE1 4.37Å; F133-F170 HydrophobicContact CZ-CE2 4.38Å; F133-F170 AromaticContact CZ-CG 3.33Å; F133-F170 HydrophobicContact CZ-CG 3.33Å; F133-F226 HydrophobicContact CB-CE2 4.25Å; F133-F226 HydrophobicContact CB-CZ 3.81Å; F133-F226 HydrophobicContact CG-CZ 4.46Å
134	D	98	Very high	96.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	163.7	169.7	60.2	21	0	0	0	111.8	A92 I96 Y117 Y154 G158 V159 S160	A92-D134 HydrophobicContact CB-CB 4.05Å; A92-D134 WeakPolarHBondContact O-CA 3.25Å; I96-D134 HydrophobicContact CD1-CB 3.92Å; Y117-D134 PolarHBondContact OH-OD2 3.1Å; D134-Y154 HydrophobicContact CB-CE2 4.42Å; D134-Y154 PolarHBondContact O-OH 3.19Å; D134-Y154 VanDerWaalsContact OD1-CE2 3.3Å; D134-Y154 WeakPolarHBondContact OD1-CE2 3.36Å; D134-Y154 PolarHBondContact OD1-OH 3.4Å; D134-G158 WeakPolarHBondContact OD2-CA 3.48Å; D134-V159 PolarHBondContact OD1-N 3.12Å; D134-V159 PolarHBondContact OD2-N 2.83Å; D134-S160 PolarHBondContact N-OG 3.08Å; D134-S160 VanDerWaalsContact N-OG 3.12Å; D134-S160 VanDerWaalsContact O-CB 3.26Å; D134-S160 WeakPolarHBondContact O-CB 3.41Å; D134-S160 PolarHBondContact O-OG 2.78Å; D134-S160 VanDerWaalsContact O-OG 3.06Å; D134-S160 WeakPolarHBondContact OD1-CA 3.49Å; D134-S160 VanDerWaalsContact OD1-CB 3.27Å; D134-S160 WeakPolarHBondContact OD1-CB 3.39Å; D134-S160 PolarHBondContact OD1-N 2.87Å; D134-S160 PolarHBondContact OD1-OG 2.79Å
135	V	97.6	Very high	96.7	Very high	3 Å²	3	30 Å²	30	2%	0.018	16%	0.156	C	C	.	.			trans	-143.4	155.6	170.8	61	0	0	0	0	108	A92 G94 Y154 D185 F226	A92-V135 PolarHBondContact O-N 3.03Å; G94-V135 WeakPolarHBondContact CA-O 3.47Å; G94-V135 PolarHBondContact N-O 2.91Å; V135-Y154 WeakPolarHBondContact CA-OH 3.09Å; V135-D185 HydrophobicContact CG2-CB 3.85Å; V135-F226 HydrophobicContact CG1-CD2 4.25Å; V135-F226 HydrophobicContact CG1-CE2 4.5Å
136	R	96.9	Very high	96.4	Very high	11 Å²	11	31 Å²	31	4%	0.042	16%	0.159	C	C	.	.			trans	-69.7	143.5	176.1	-73.2	178.2	-76.7	-140.7	-6.6	112	D140 D152 Y154 D185 H228	R136-D140 HydrophobicContact CB-CB 4.09Å; R136-D140 HydrophobicContact CG-CB 4.03Å; R136-D152 IonicContact NH1-OD1 3.46Å; R136-D152 PolarHBondContact NH1-OD1 3.39Å; R136-D152 IonicContact NH1-OD2 2.71Å; R136-D152 PolarHBondContact NH1-OD2 2.72Å; R136-Y154 VanDerWaalsContact CD-CD1 3.49Å; R136-Y154 HydrophobicContact CG-CD1 3.35Å; R136-Y154 HydrophobicContact CG-CD2 3.82Å; R136-Y154 HydrophobicContact CG-CE1 3.77Å; R136-Y154 HydrophobicContact CG-CE2 4.25Å; R136-Y154 HydrophobicContact CG-CG 3.36Å; R136-D185 IonicContact CZ-OD2 3.78Å; R136-D185 IonicContact NE-OD2 3.52Å; R136-D185 PolarHBondContact NE-OD2 2.98Å; R136-D185 IonicContact NH2-OD2 2.95Å; R136-D185 PolarHBondContact NH2-OD2 3.44Å; R136-H228 WeakPolarHBondContact O-CB 3.41Å
137	G	97.1	Very high	96.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.			trans	-99.2	-167.7	156.5	0	0	0	0	0	112.9	D95 D140 S187 H228	D95-G137 VanDerWaalsContact OD1-C 3.23Å; D95-G137 WeakPolarHBondContact OD1-CA 3.39Å; G137-D140 PolarHBondContact N-OD2 3.02Å; G137-S187 PolarHBondContact O-OG 2.86Å; G137-H228 WeakPolarHBondContact CA-CD2 3.31Å
138	N	96	Very high	95.8	Very high	9 Å²	9	32.6 Å²	32.6	5%	0.048	18%	0.18	C	C	.	.	S	Bend	trans	-71.1	-37.7	176.8	47.8	-63.6	0	0	0	112.4	D95 D140 S141 F142 N197 H228 Y229 H256	D95-N138 PolarHBondContact OD1-N 2.86Å; D95-N138 PolarHBondContact OD1-OD1 3.04Å; D95-N138 PolarHBondContact OD2-OD1 2.85Å; N138-D140 PolarHBondContact O-N 3.21Å; N138-S141 PolarHBondContact O-N 2.83Å; N138-S141 VanDerWaalsContact O-N 3.13Å; N138-S141 PolarHBondContact O-OG 2.85Å; N138-F142 PolarHBondContact O-N 3.11Å; N138-N197 HydrophobicContact CB-CB 4.42Å; N138-N197 WeakPolarHBondContact CB-O 3.48Å; N138-N197 PolarHBondContact ND2-O 3.31Å; N138-N197 PolarHBondContact O-ND2 2.86Å; N138-H228 PolarHBondContact OD1-CD2 3.44Å; N138-H228 PolarHBondContact OD1-NE2 2.75Å; N138-Y229 VanDerWaalsContact CA-OH 3.31Å; N138-Y229 WeakPolarHBondContact CA-OH 3.36Å; N138-Y229 HydrophobicContact CB-CE1 4.13Å; N138-Y229 WeakPolarHBondContact CB-OH 3.36Å; N138-Y229 PolarHBondContact N-OH 3.34Å; N138-H256 PolarHBondContact OD1-CE1 3.48Å; N138-H256 VanDerWaalsContact OD1-CE1 3.25Å; N138-H256 PolarHBondContact OD1-ND1 2.85Å
139	H	97	Very high	95.6	Very high	24 Å²	24	26.4 Å²	26.4	11%	0.111	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-64.2	-33.6	179.3	-76.6	-121.5	0	0	0	111.7	H61 D95 T97 D98 Q109 S141 F142	H61-H139 AromaticContact CE1-CD2 3.76Å; H61-H139 AromaticContact CE1-CE1 3.46Å; H61-H139 PolarHBondContact CE1-CE1 2.93Å; H61-H139 VanDerWaalsContact CE1-CE1 3.46Å; H61-H139 AromaticContact CE1-CG 3.65Å; H61-H139 AromaticContact CE1-ND1 3.42Å; H61-H139 PolarHBondContact CE1-ND1 3.38Å; H61-H139 AromaticContact CE1-NE2 3.72Å; H61-H139 AromaticContact ND1-CE1 3.82Å; H61-H139 AromaticContact ND1-ND1 3.52Å; D95-H139 HydrophobicContact CB-CB 4.35Å; D95-H139 WeakPolarHBondContact OD1-CB 3.49Å; D95-H139 IonicContact OD1-CD2 2.77Å; D95-H139 IonicContact OD1-CG 3.06Å; D95-H139 PolarHBondContact OD1-N 3.45Å; D95-H139 IonicContact OD2-CD2 3.39Å; D95-H139 PolarHBondContact OD2-CD2 2.89Å; D95-H139 IonicContact OD2-CG 3.19Å; D95-H139 IonicContact OD2-NE2 3.81Å; T97-H139 WeakPolarHBondContact O-CB 3.07Å; D98-H139 PolarHBondContact O-ND1 2.8Å; D98-H139 IonicContact OD1-ND1 3.76Å; Q109-H139 PolarHBondContact NE2-O 3.18Å; H139-S141 PolarHBondContact O-N 3.44Å; H139-S141 VanDerWaalsContact O-N 3.16Å; H139-F142 HydrophobicContact CB-CD2 4.15Å; H139-F142 HydrophobicContact CB-CE2 3.9Å; H139-F142 AromaticContact CD2-CE2 3.72Å; H139-F142 AromaticContact CD2-CZ 3.74Å; H139-F142 AromaticContact CE1-CE2 3.62Å; H139-F142 AromaticContact CG-CE2 3.4Å; H139-F142 VanDerWaalsContact CG-CE2 3.4Å; H139-F142 AromaticContact CG-CZ 3.92Å; H139-F142 AromaticContact ND1-CE2 3.36Å; H139-F142 WeakPolarHBondContact ND1-CE2 3.43Å; H139-F142 AromaticContact NE2-CE2 3.8Å; H139-F142 AromaticContact NE2-CZ 3.75Å; H139-F142 PolarHBondContact O-N 3.13Å
140	D	97	Very high	95.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-70.9	-7.5	178.2	-57.4	-39.1	0	0	0	113.9	D95 I96 T97 W114 R136 G137 N138	D95-D140 WeakPolarHBondContact CA-OD2 3.39Å; D95-D140 PolarHBondContact N-OD2 2.81Å; I96-D140 WeakPolarHBondContact CB-OD1 3.44Å; I96-D140 PolarHBondContact N-OD1 3.03Å; I96-D140 PolarHBondContact N-OD2 3.21Å; T97-D140 PolarHBondContact N-OD1 3.45Å; T97-D140 PolarHBondContact OG1-OD1 3.09Å; W114-D140 HydrophobicContact CH2-CB 3.84Å; W114-D140 HydrophobicContact CZ2-CB 3.79Å; R136-D140 HydrophobicContact CB-CB 4.09Å; R136-D140 HydrophobicContact CG-CB 4.03Å; G137-D140 PolarHBondContact N-OD2 3.02Å; N138-D140 PolarHBondContact O-N 3.21Å
141	S	94.9	Very high	95	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-117.6	2.7	179.2	63.2	0	0	0	0	113.4	N138 H139 G143 V144 G191 N197	N138-S141 PolarHBondContact O-N 2.83Å; N138-S141 VanDerWaalsContact O-N 3.13Å; N138-S141 PolarHBondContact O-OG 2.85Å; H139-S141 PolarHBondContact O-N 3.44Å; H139-S141 VanDerWaalsContact O-N 3.16Å; S141-G143 PolarHBondContact O-N 2.96Å; S141-V144 WeakPolarHBondContact O-CB 3.1Å; S141-V144 PolarHBondContact O-N 3.04Å; S141-G191 CarbonylContact O-C 3.57Å; S141-G191 VanDerWaalsContact O-CA 3.27Å; S141-G191 WeakPolarHBondContact O-CA 3.42Å; S141-N197 PolarHBondContact OG-ND2 3.33Å
142	F	94.8	Very high	94.9	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.013	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	114.5	-177.2	-77.9	-35.8	0	0	0	112.8	K100 Q109 N138 H139 V144 L192 W194 N197	K100-F142 HydrophobicContact CD-CE2 4.49Å; Q109-F142 WeakPolarHBondContact CG-O 3.45Å; Q109-F142 PolarHBondContact N-O 3.5Å; Q109-F142 PolarHBondContact NE2-O 3.43Å; N138-F142 PolarHBondContact O-N 3.11Å; H139-F142 HydrophobicContact CB-CD2 4.15Å; H139-F142 HydrophobicContact CB-CE2 3.9Å; H139-F142 AromaticContact CD2-CE2 3.72Å; H139-F142 AromaticContact CD2-CZ 3.74Å; H139-F142 AromaticContact CE1-CE2 3.62Å; H139-F142 AromaticContact CG-CE2 3.4Å; H139-F142 VanDerWaalsContact CG-CE2 3.4Å; H139-F142 AromaticContact CG-CZ 3.92Å; H139-F142 AromaticContact ND1-CE2 3.36Å; H139-F142 WeakPolarHBondContact ND1-CE2 3.43Å; H139-F142 AromaticContact NE2-CE2 3.8Å; H139-F142 AromaticContact NE2-CZ 3.75Å; H139-F142 PolarHBondContact O-N 3.13Å; F142-V144 VanDerWaalsContact C-N 3.29Å; F142-V144 PolarHBondContact O-N 2.89Å; F142-L192 WeakPolarHBondContact CA-O 3.32Å; F142-L192 WeakPolarHBondContact CD1-O 3.22Å; F142-W194 HydrophobicContact CE1-CB 4.29Å; F142-W194 HydrophobicContact CZ-CB 4.2Å; F142-N197 HydrophobicContact CD1-CB 3.96Å; F142-N197 HydrophobicContact CE1-CB 3.69Å
143	G	93	Very high	94.8	Very high	17 Å²	17	24.9 Å²	24.9	18%	0.175	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	15.8	177.5	0	0	0	0	0	114.9	S141 P145 G191 L192	S141-G143 PolarHBondContact O-N 2.96Å; G143-P145 WeakPolarHBondContact O-CD 2.92Å; G143-G191 CarbonylContact C-O 3.53Å; G143-G191 VanDerWaalsContact CA-O 3.29Å; G143-G191 WeakPolarHBondContact CA-O 3.39Å; G143-G191 PolarHBondContact N-O 3.39Å; G143-L192 PolarHBondContact N-O 2.85Å
144	V	94.8	Very high	94.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.149	C	C	.	.			trans	-82.5	115.4	178.5	177.8	0	0	0	0	110	Q109 S141 F142 F147 D152 P190 G191	Q109-V144 HydrophobicContact CG-CG2 3.53Å; S141-V144 WeakPolarHBondContact O-CB 3.1Å; S141-V144 PolarHBondContact O-N 3.04Å; F142-V144 VanDerWaalsContact C-N 3.29Å; F142-V144 PolarHBondContact O-N 2.89Å; V144-F147 HydrophobicContact CG1-CD1 4.15Å; V144-F147 HydrophobicContact CG1-CE1 4.42Å; V144-D152 HydrophobicContact CG1-CB 3.81Å; V144-P190 CarbonylContact O-C 3.33Å; V144-P190 WeakPolarHBondContact O-CA 3.15Å; V144-G191 PolarHBondContact N-O 2.98Å; V144-G191 PolarHBondContact O-N 3Å
145	P	93.8	Very high	94.6	Very high	19 Å²	19	24.7 Å²	24.7	12%	0.123	16%	0.159	C	C	.	.	S	Bend	trans	-73.3	-30.6	-175.1	28.2	-34.5	0	0	0	114.1	G143 D150 V519 A520 K522	G143-P145 WeakPolarHBondContact O-CD 2.92Å; P145-D150 VanDerWaalsContact CD-O 3.28Å; P145-D150 WeakPolarHBondContact CD-O 3.33Å; P145-V519 HydrophobicContact CB-CG1 4.25Å; P145-A520 HydrophobicContact CB-CB 4.2Å; P145-A520 HydrophobicContact CG-CB 4.32Å; P145-K522 HydrophobicContact CB-CD 4.49Å; P145-K522 PolarHBondContact O-NZ 3.31Å
146	S	93.1	Very high	94.5	Very high	43 Å²	43	29.6 Å²	29.6	30%	0.301	18%	0.182	S	C	.	.	S	Bend	trans	-160.2	145.3	178.6	54.9	0	0	0	0	110.4	G149 E189	S146-G149 PolarHBondContact O-N 2.87Å; S146-E189 WeakPolarHBondContact CA-OE1 3.37Å; S146-E189 WeakPolarHBondContact CB-OE1 3.26Å
147	F	92.2	Very high	94.5	Very high	42 Å²	42	31.2 Å²	31.2	18%	0.184	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	139.2	177.5	-58.6	-40	0	0	0	111.6	V144 G149 D152 R166 T188 E189	V144-F147 HydrophobicContact CG1-CD1 4.15Å; V144-F147 HydrophobicContact CG1-CE1 4.42Å; F147-G149 PolarHBondContact O-N 3.2Å; F147-D152 VanDerWaalsContact CA-OD2 3.25Å; F147-D152 WeakPolarHBondContact CA-OD2 3.48Å; F147-R166 VanDerWaalsContact CZ-NH1 3.28Å; F147-T188 VanDerWaalsContact CZ-O 3.23Å; F147-T188 WeakPolarHBondContact CZ-O 3.5Å; F147-E189 HydrophobicContact CD2-CB 3.96Å; F147-E189 VanDerWaalsContact CD2-CD 3.46Å; F147-E189 HydrophobicContact CD2-CG 3.9Å; F147-E189 VanDerWaalsContact CD2-OE2 3.25Å; F147-E189 WeakPolarHBondContact CD2-OE2 3.38Å; F147-E189 HydrophobicContact CE2-CB 3.49Å; F147-E189 VanDerWaalsContact CE2-CB 3.49Å; F147-E189 HydrophobicContact CE2-CG 3.91Å; F147-E189 HydrophobicContact CG-CG 4.32Å; F147-E189 HydrophobicContact CZ-CB 3.99Å; F147-E189 HydrophobicContact CZ-CG 4.4Å; F147-E189 PolarHBondContact N-OE1 3.4Å
148	G	91.1	Very high	94.5	Very high	59 Å²	59	31.4 Å²	31.4	61%	0.608	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	-2.3	-168.1	0	0	0	0	0	114.7	D152	G148-D152 PolarHBondContact N-OD2 3.46Å
149	G	91.1	Very high	94.5	Very high	22 Å²	22	33.8 Å²	33.8	23%	0.227	21%	0.206	C	C	.	.	S	Bend	trans	-98	-162.8	179.4	0	0	0	0	0	113.8	S146 F147 G151 D152	S146-G149 PolarHBondContact O-N 2.87Å; F147-G149 PolarHBondContact O-N 3.2Å; G149-G151 PolarHBondContact O-N 3.43Å; G149-D152 PolarHBondContact O-N 2.72Å; G149-D152 VanDerWaalsContact O-N 3.13Å
150	D	90.9	Very high	94.4	Very high	144 Å²	144	33.9 Å²	33.9	77%	0.77	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	129.4	-179.9	-71.8	-17.8	0	0	0	111.5	P145 D152	P145-D150 VanDerWaalsContact CD-O 3.28Å; P145-D150 WeakPolarHBondContact CD-O 3.33Å; D150-D152 VanDerWaalsContact C-N 3.28Å; D150-D152 PolarHBondContact O-N 3.11Å
151	G	92.3	Very high	94.1	Very high	22 Å²	22	34 Å²	34	23%	0.227	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-10.4	-178.9	0	0	0	0	0	115.3	Q109 G149 Y153	Q109-G151 WeakPolarHBondContact CG-O 3.18Å; G149-G151 PolarHBondContact O-N 3.43Å; G151-Y153 PolarHBondContact O-N 3.25Å
152	D	95.3	Very high	93.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.011	25%	0.25	C	S	.	.			trans	-77.7	71.4	173.3	-172.1	16.1	0	0	0	111.4	R136 V144 F147 G148 G149 D150 Y154 S155	R136-D152 IonicContact NH1-OD1 3.46Å; R136-D152 PolarHBondContact NH1-OD1 3.39Å; R136-D152 IonicContact NH1-OD2 2.71Å; R136-D152 PolarHBondContact NH1-OD2 2.72Å; V144-D152 HydrophobicContact CG1-CB 3.81Å; F147-D152 VanDerWaalsContact CA-OD2 3.25Å; F147-D152 WeakPolarHBondContact CA-OD2 3.48Å; G148-D152 PolarHBondContact N-OD2 3.46Å; G149-D152 PolarHBondContact O-N 2.72Å; G149-D152 VanDerWaalsContact O-N 3.13Å; D150-D152 VanDerWaalsContact C-N 3.28Å; D150-D152 PolarHBondContact O-N 3.11Å; D152-Y154 PolarHBondContact O-N 3.12Å; D152-Y154 WeakPolarHBondContact OD1-CB 3.24Å; D152-S155 PolarHBondContact O-N 3.28Å; D152-S155 PolarHBondContact O-OG 2.97Å
153	Y	96.8	Very high	93.4	Very high	55 Å²	55	45.9 Å²	45.9	22%	0.216	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.6	179.2	-64.9	-53.5	0	0	0	113.2	Q109 P111 W114 G151 S155 Q156 F157	Q109-Y153 HydrophobicContact CB-CD2 3.77Å; Q109-Y153 HydrophobicContact CB-CE2 3.87Å; P111-Y153 HydrophobicContact CB-CD2 4.45Å; P111-Y153 HydrophobicContact CB-CE1 4.06Å; P111-Y153 HydrophobicContact CB-CE2 3.96Å; P111-Y153 HydrophobicContact CG-CE2 4.41Å; W114-Y153 AromaticContact CD1-CD2 3.66Å; W114-Y153 AromaticContact CD1-CG 3.86Å; W114-Y153 VanDerWaalsContact CG-CB 3.43Å; W114-Y153 HydrophobicContact CG-CD2 4.48Å; W114-Y153 HydrophobicContact CG-CG 4.27Å; G151-Y153 PolarHBondContact O-N 3.25Å; Y153-S155 PolarHBondContact O-N 2.84Å; Y153-Q156 PolarHBondContact O-N 3.36Å; Y153-F157 HydrophobicContact CD1-CD2 4.35Å; Y153-F157 AromaticContact CD1-CE2 3.92Å; Y153-F157 HydrophobicContact CD1-CE2 3.92Å; Y153-F157 HydrophobicContact CG-CD2 4.47Å; Y153-F157 HydrophobicContact CG-CE2 4.4Å; Y153-F157 WeakPolarHBondContact O-CD2 3.37Å; Y153-F157 PolarHBondContact O-N 3.17Å
154	Y	96.9	Very high	93.1	Very high	12 Å²	12	50.1 Å²	50.1	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-42.6	170.5	178.3	-111.7	0	0	0	111	I96 W114 D134 V135 R136 D152 Q156 G158 G161	I96-Y154 HydrophobicContact CD1-CD2 4.09Å; I96-Y154 HydrophobicContact CD1-CE2 4.01Å; W114-Y154 AromaticContact CH2-CD2 3.79Å; W114-Y154 HydrophobicContact CH2-CD2 3.79Å; W114-Y154 HydrophobicContact CH2-CG 4.16Å; W114-Y154 AromaticContact CZ3-CD2 3.82Å; W114-Y154 HydrophobicContact CZ3-CD2 3.82Å; W114-Y154 HydrophobicContact CZ3-CG 4.43Å; D134-Y154 HydrophobicContact CB-CE2 4.42Å; D134-Y154 PolarHBondContact O-OH 3.19Å; D134-Y154 VanDerWaalsContact OD1-CE2 3.3Å; D134-Y154 WeakPolarHBondContact OD1-CE2 3.36Å; D134-Y154 PolarHBondContact OD1-OH 3.4Å; V135-Y154 WeakPolarHBondContact CA-OH 3.09Å; R136-Y154 VanDerWaalsContact CD-CD1 3.49Å; R136-Y154 HydrophobicContact CG-CD1 3.35Å; R136-Y154 HydrophobicContact CG-CD2 3.82Å; R136-Y154 HydrophobicContact CG-CE1 3.77Å; R136-Y154 HydrophobicContact CG-CE2 4.25Å; R136-Y154 HydrophobicContact CG-CG 3.36Å; D152-Y154 PolarHBondContact O-N 3.12Å; D152-Y154 WeakPolarHBondContact OD1-CB 3.24Å; Y154-Q156 PolarHBondContact O-N 3.06Å; Y154-Q156 VanDerWaalsContact O-N 3.14Å; Y154-G158 WeakPolarHBondContact O-CA 3.38Å; Y154-G158 PolarHBondContact O-N 2.98Å; Y154-G161 VanDerWaalsContact CZ-CA 3.46Å
155	S	95.1	Very high	93	Very high	30 Å²	30	55.5 Å²	55.5	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-62	-22.5	177.7	73.3	0	0	0	0	114.2	D152 Y153 G161	D152-S155 PolarHBondContact O-N 3.28Å; D152-S155 PolarHBondContact O-OG 2.97Å; Y153-S155 PolarHBondContact O-N 2.84Å; S155-G161 WeakPolarHBondContact CA-O 3.36Å
156	Q	94.9	Very high	93	Very high	106 Å²	106	55.4 Å²	55.4	50%	0.495	31%	0.309	S	S	.	.	H	α-helix	trans	-98.2	-41.8	-175.9	-57.9	178.7	22.9	0	0	112.5	Y153 Y154	Y153-Q156 PolarHBondContact O-N 3.36Å; Y154-Q156 PolarHBondContact O-N 3.06Å; Y154-Q156 VanDerWaalsContact O-N 3.14Å
157	F	96.9	Very high	93.2	Very high	45 Å²	45	53.6 Å²	53.6	20%	0.197	30%	0.296	C	S	.	.	H	α-helix	trans	-112	-23.2	-169.5	-64.6	-78.3	0	0	0	114.3	W114 R115 Y153	W114-F157 HydrophobicContact CB-CB 4Å; W114-F157 HydrophobicContact CB-CD2 3.6Å; W114-F157 HydrophobicContact CB-CE2 4.24Å; W114-F157 HydrophobicContact CB-CG 3.85Å; W114-F157 HydrophobicContact CE3-CB 4.09Å; W114-F157 HydrophobicContact CG-CD2 4.37Å; R115-F157 HydrophobicContact CG-CD1 4.24Å; R115-F157 HydrophobicContact CG-CE1 3.44Å; R115-F157 VanDerWaalsContact CG-CE1 3.44Å; R115-F157 HydrophobicContact CG-CZ 3.66Å; Y153-F157 HydrophobicContact CD1-CD2 4.35Å; Y153-F157 AromaticContact CD1-CE2 3.92Å; Y153-F157 HydrophobicContact CD1-CE2 3.92Å; Y153-F157 HydrophobicContact CG-CD2 4.47Å; Y153-F157 HydrophobicContact CG-CE2 4.4Å; Y153-F157 WeakPolarHBondContact O-CD2 3.37Å; Y153-F157 PolarHBondContact O-N 3.17Å
158	G	96.9	Very high	93.4	Very high	5 Å²	5	54 Å²	54	5%	0.052	30%	0.3	C	S	.	.			trans	-65.7	143.7	175.6	0	0	0	0	0	111.7	D134 Y154 G161	D134-G158 WeakPolarHBondContact OD2-CA 3.48Å; Y154-G158 WeakPolarHBondContact O-CA 3.38Å; Y154-G158 PolarHBondContact O-N 2.98Å; G158-G161 PolarHBondContact O-N 2.8Å
159	V	96.7	Very high	93.7	Very high	58 Å²	58	53.1 Å²	53.1	35%	0.352	28%	0.281	S	S	.	.	S	Bend	trans	-66.5	-46.8	-179.9	-177.2	0	0	0	0	110.6	L121 L127 W132 D134	L121-V159 HydrophobicContact CD1-CG2 3.65Å; L127-V159 HydrophobicContact CD2-CG2 4.18Å; W132-V159 HydrophobicContact CB-CG1 4.31Å; W132-V159 HydrophobicContact CG-CG2 4.28Å; W132-V159 VanDerWaalsContact O-CG1 3.27Å; W132-V159 WeakPolarHBondContact O-CG1 3.42Å; D134-V159 PolarHBondContact OD1-N 3.12Å; D134-V159 PolarHBondContact OD2-N 2.83Å
160	S	94.7	Very high	94	Very high	27 Å²	27	53.7 Å²	53.7	19%	0.189	28%	0.278	C	S	.	.	S	Bend	trans	-89.5	-8.1	174.5	-46.5	0	0	0	0	112.7	F133 D134 R162 S163	F133-S160 WeakPolarHBondContact CA-OG 3.43Å; D134-S160 PolarHBondContact N-OG 3.08Å; D134-S160 VanDerWaalsContact N-OG 3.12Å; D134-S160 VanDerWaalsContact O-CB 3.26Å; D134-S160 WeakPolarHBondContact O-CB 3.41Å; D134-S160 PolarHBondContact O-OG 2.78Å; D134-S160 VanDerWaalsContact O-OG 3.06Å; D134-S160 WeakPolarHBondContact OD1-CA 3.49Å; D134-S160 VanDerWaalsContact OD1-CB 3.27Å; D134-S160 WeakPolarHBondContact OD1-CB 3.39Å; D134-S160 PolarHBondContact OD1-N 2.87Å; D134-S160 PolarHBondContact OD1-OG 2.79Å; S160-R162 PolarHBondContact O-N 2.81Å; S160-R162 VanDerWaalsContact O-N 3.12Å; S160-S163 PolarHBondContact O-N 2.77Å; S160-S163 VanDerWaalsContact O-N 3.11Å
161	G	90.1	Very high	94.4	Very high	4 Å²	4	50.3 Å²	50.3	4%	0.041	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.9	-167.9	0	0	0	0	0	115.8	Y154 S155 G158 S163	Y154-G161 VanDerWaalsContact CZ-CA 3.46Å; S155-G161 WeakPolarHBondContact CA-O 3.36Å; G158-G161 PolarHBondContact O-N 2.8Å; G161-S163 PolarHBondContact O-N 3.36Å
162	R	86.9	Confident	94.6	Very high	218 Å²	218	49.6 Å²	49.6	82%	0.823	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-19.6	173.4	-64	-175.7	-179.5	-177	-0.4	113.3	S160	S160-R162 PolarHBondContact O-N 2.81Å; S160-R162 VanDerWaalsContact O-N 3.12Å
163	S	87.9	Confident	94.7	Very high	34 Å²	34	54.3 Å²	54.3	24%	0.238	28%	0.276	C	S	.	.			trans	-74.6	126.5	174.2	-172.8	0	0	0	0	110.1	S160 G161 F165 N168	S160-S163 PolarHBondContact O-N 2.77Å; S160-S163 VanDerWaalsContact O-N 3.11Å; G161-S163 PolarHBondContact O-N 3.36Å; S163-F165 PolarHBondContact O-N 3.3Å; S163-F165 WeakPolarHBondContact OG-CD2 3.34Å; S163-F165 PolarHBondContact OG-N 2.88Å; S163-N168 PolarHBondContact OG-OD1 2.85Å
164	S	85.9	Confident	94.6	Very high	106 Å²	106	53.9 Å²	53.9	74%	0.741	28%	0.275	S	S	*	.			trans	-74.9	-10.1	169.7	60.6	0	0	0	0	112.7
165	F	93.3	Very high	94.4	Very high	113 Å²	113	59.9 Å²	59.9	50%	0.496	32%	0.315	S	S	.	.			trans	-77.9	135.1	179.9	-61.3	-70.8	0	0	0	111.4	S163 S167 N168	S163-F165 PolarHBondContact O-N 3.3Å; S163-F165 WeakPolarHBondContact OG-CD2 3.34Å; S163-F165 PolarHBondContact OG-N 2.88Å; F165-S167 VanDerWaalsContact C-N 3.29Å; F165-N168 PolarHBondContact O-ND2 3.09Å
166	R	95	Very high	94.2	Very high	16 Å²	16	60.3 Å²	60.3	6%	0.06	31%	0.313	C	S	.	.	S	Bend	trans	-78.8	-13.7	175.3	-57.2	-62.4	-60.7	-163.1	-10.8	112.8	F147 I184 D185 S187 V206	F147-R166 VanDerWaalsContact CZ-NH1 3.28Å; R166-I184 WeakPolarHBondContact O-CA 3.27Å; R166-D185 VanDerWaalsContact CZ-O 3.29Å; R166-D185 IonicContact CZ-OD1 2.75Å; R166-D185 IonicContact CZ-OD2 3.56Å; R166-D185 VanDerWaalsContact CZ-OD2 3.29Å; R166-D185 PolarHBondContact NE-O 2.83Å; R166-D185 VanDerWaalsContact NE-O 3.08Å; R166-D185 IonicContact NE-OD1 2.82Å; R166-D185 IonicContact NE-OD2 3.35Å; R166-D185 VanDerWaalsContact NH1-CG 3.27Å; R166-D185 IonicContact NH1-OD1 3.04Å; R166-D185 PolarHBondContact NH1-OD1 3.12Å; R166-D185 IonicContact NH1-OD2 3.84Å; R166-D185 PolarHBondContact NH1-OD2 3.38Å; R166-D185 VanDerWaalsContact NH2-CG 3.28Å; R166-D185 PolarHBondContact NH2-O 2.84Å; R166-D185 IonicContact NH2-OD1 2.73Å; R166-D185 PolarHBondContact NH2-OD1 2.92Å; R166-D185 IonicContact NH2-OD2 3.2Å; R166-D185 PolarHBondContact O-N 2.91Å; R166-S187 VanDerWaalsContact NH2-N 3.1Å; R166-S187 PolarHBondContact NH2-O 2.92Å; R166-V206 HydrophobicContact CB-CG1 4.4Å; R166-V206 HydrophobicContact CB-CG2 4.07Å; R166-V206 HydrophobicContact CG-CG2 4.3Å
167	S	96.9	Very high	94.2	Very high	6 Å²	6	56 Å²	56	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.2	167.5	-178.3	0	0	0	0	109.7	F165 I182 S183 S213	F165-S167 VanDerWaalsContact C-N 3.29Å; S167-I182 WeakPolarHBondContact OG-CG2 3.27Å; S167-S183 WeakPolarHBondContact CA-O 3.5Å; S167-S183 WeakPolarHBondContact CB-O 3.49Å; S167-S183 PolarHBondContact OG-O 3.4Å; S167-S213 PolarHBondContact OG-OG 2.83Å
168	N	96.5	Very high	94.2	Very high	49 Å²	49	55.9 Å²	55.9	26%	0.262	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.2	178.6	-59.4	-93.7	0	0	0	109.1	S163 F165 I182 S183	S163-N168 PolarHBondContact OG-OD1 2.85Å; F165-N168 PolarHBondContact O-ND2 3.09Å; N168-I182 CarbonylContact O-C 3.57Å; N168-I182 VanDerWaalsContact O-CA 3.29Å; N168-I182 WeakPolarHBondContact O-CA 3.26Å; N168-S183 PolarHBondContact N-O 2.75Å; N168-S183 PolarHBondContact N-OG 2.65Å; N168-S183 PolarHBondContact O-N 3.31Å
169	I	97.1	Very high	94.3	Very high	41 Å²	41	55.6 Å²	55.6	21%	0.21	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	137.5	175.1	-178.6	171.5	0	0	0	110.4	K171 F181 I182 S213 E216 A217	I169-K171 HydrophobicContact CD1-CG 4.24Å; I169-K171 HydrophobicContact CG1-CG 4.33Å; I169-F181 CarbonylContact C-O 3.58Å; I169-F181 WeakPolarHBondContact CA-O 3.49Å; I169-I182 HydrophobicContact CB-CG1 4.28Å; I169-I182 HydrophobicContact CD1-CG1 4.36Å; I169-I182 HydrophobicContact CG1-CG1 4.12Å; I169-S213 WeakPolarHBondContact CD1-O 3.3Å; I169-E216 HydrophobicContact CD1-CB 3.96Å; I169-E216 HydrophobicContact CG2-CB 4.46Å; I169-E216 WeakPolarHBondContact CG2-OE2 3.24Å; I169-A217 HydrophobicContact CD1-CB 3.81Å
170	F	97.7	Very high	94.3	Very high	35 Å²	35	52.9 Å²	52.9	15%	0.154	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.8	168.1	173.7	-105.5	0	0	0	109.9	I89 F133 L172 S180 F181	I89-F170 HydrophobicContact CD1-CD1 3.82Å; I89-F170 HydrophobicContact CD1-CE1 3.65Å; I89-F170 HydrophobicContact CG1-CE1 4.19Å; F133-F170 HydrophobicContact CE1-CB 4.17Å; F133-F170 HydrophobicContact CE1-CG 4.24Å; F133-F170 HydrophobicContact CE2-CB 4.12Å; F133-F170 AromaticContact CE2-CD1 3.61Å; F133-F170 HydrophobicContact CE2-CD1 3.61Å; F133-F170 HydrophobicContact CE2-CD2 4.41Å; F133-F170 HydrophobicContact CE2-CE1 4.22Å; F133-F170 AromaticContact CE2-CG 3.74Å; F133-F170 HydrophobicContact CE2-CG 3.74Å; F133-F170 HydrophobicContact CZ-CB 3.68Å; F133-F170 AromaticContact CZ-CD1 3.71Å; F133-F170 HydrophobicContact CZ-CD1 3.71Å; F133-F170 AromaticContact CZ-CD2 3.68Å; F133-F170 HydrophobicContact CZ-CD2 3.68Å; F133-F170 HydrophobicContact CZ-CE1 4.37Å; F133-F170 HydrophobicContact CZ-CE2 4.38Å; F133-F170 AromaticContact CZ-CG 3.33Å; F133-F170 HydrophobicContact CZ-CG 3.33Å; F170-L172 HydrophobicContact CE1-CB 4.05Å; F170-S180 CarbonylContact O-C 3.57Å; F170-S180 WeakPolarHBondContact O-CA 3.34Å; F170-F181 HydrophobicContact CB-CB 4.4Å; F170-F181 HydrophobicContact CD1-CB 4.49Å; F170-F181 HydrophobicContact CD1-CD2 4.07Å; F170-F181 PolarHBondContact N-O 2.81Å; F170-F181 PolarHBondContact O-N 2.84Å
171	K	98	Very high	94.5	Very high	73 Å²	73	51.7 Å²	51.7	32%	0.317	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.5	178.2	-66.3	-177.9	175.6	-175.9	0	110.7	I169 Q178 E216	I169-K171 HydrophobicContact CD1-CG 4.24Å; I169-K171 HydrophobicContact CG1-CG 4.33Å; K171-Q178 HydrophobicContact CB-CG 4.49Å; K171-E216 WeakPolarHBondContact CE-O 3.45Å; K171-E216 PolarHBondContact NZ-O 2.87Å
172	L	97.9	Very high	94.9	Very high	6 Å²	6	51.5 Å²	51.5	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	103.8	168.3	-177.4	63.8	0	0	0	109	F52 E88 F170 K174 Y179 F181	F52-L172 HydrophobicContact CD1-CD2 4.42Å; F52-L172 HydrophobicContact CD2-CD2 3.59Å; F52-L172 HydrophobicContact CE1-CD2 4.44Å; F52-L172 HydrophobicContact CE2-CD2 3.63Å; F52-L172 HydrophobicContact CG-CD2 4.01Å; F52-L172 HydrophobicContact CZ-CD2 4.08Å; E88-L172 HydrophobicContact CB-CD2 4.15Å; E88-L172 HydrophobicContact CG-CD2 4.21Å; F170-L172 HydrophobicContact CE1-CB 4.05Å; L172-K174 HydrophobicContact CG-CG 4.29Å; L172-Y179 PolarHBondContact N-O 3.44Å; L172-Y179 PolarHBondContact O-N 2.84Å; L172-F181 HydrophobicContact CB-CE2 4.13Å; L172-F181 HydrophobicContact CD2-CE2 4.48Å
173	V	97.2	Very high	95.5	Very high	102 Å²	102	41.6 Å²	41.6	62%	0.618	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.6	176.6	-176	0	0	0	0	109.2	Q178	V173-Q178 HydrophobicContact CG2-CG 4.32Å
174	K	94.7	Very high	95.9	Very high	46 Å²	46	40 Å²	40	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	161.1	175.3	-65.5	-63.6	-171	-176	0	109.7	E88 L172 Y176 G177 Y179	E88-K174 WeakPolarHBondContact OE1-CE 3.44Å; E88-K174 IonicContact OE1-NZ 3.56Å; E88-K174 PolarHBondContact OE1-NZ 3.38Å; E88-K174 IonicContact OE2-NZ 3.2Å; E88-K174 PolarHBondContact OE2-NZ 2.5Å; L172-K174 HydrophobicContact CG-CG 4.29Å; K174-Y176 HydrophobicContact CB-CD1 4.15Å; K174-Y176 HydrophobicContact CB-CD2 4.08Å; K174-Y176 HydrophobicContact CB-CE1 3.84Å; K174-Y176 HydrophobicContact CB-CE2 3.76Å; K174-Y176 HydrophobicContact CB-CG 4.27Å; K174-Y176 HydrophobicContact CG-CE1 4.33Å; K174-Y176 HydrophobicContact CG-CE2 4.1Å; K174-Y176 PolarHBondContact O-N 2.99Å; K174-G177 PolarHBondContact N-O 3.36Å; K174-G177 PolarHBondContact O-N 2.83Å; K174-Y179 HydrophobicContact CG-CE2 4.5Å
175	P	92.3	Very high	96.5	Very high	138 Å²	138	35.2 Å²	35.2	90%	0.896	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.1	177.5	-26.6	35.6	0	0	0	114.6
176	Y	91	Very high	96.6	Very high	39 Å²	39	29.9 Å²	29.9	15%	0.153	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109	-3.8	-174.6	50.3	-102.6	0	0	0	114.8	N50 V51 F52 K174 Y179	N50-Y176 HydrophobicContact CB-CD1 4.47Å; N50-Y176 HydrophobicContact CB-CD2 4.42Å; N50-Y176 HydrophobicContact CB-CG 4.26Å; N50-Y176 WeakPolarHBondContact OD1-CB 3.41Å; N50-Y176 WeakPolarHBondContact OD1-CD1 3.49Å; N50-Y176 VanDerWaalsContact OD1-CG 3.3Å; V51-Y176 VanDerWaalsContact C-OH 3.28Å; V51-Y176 PolarHBondContact O-OH 2.64Å; F52-Y176 HydrophobicContact CD1-CE2 4.39Å; K174-Y176 HydrophobicContact CB-CD1 4.15Å; K174-Y176 HydrophobicContact CB-CD2 4.08Å; K174-Y176 HydrophobicContact CB-CE1 3.84Å; K174-Y176 HydrophobicContact CB-CE2 3.76Å; K174-Y176 HydrophobicContact CB-CG 4.27Å; K174-Y176 HydrophobicContact CG-CE1 4.33Å; K174-Y176 HydrophobicContact CG-CE2 4.1Å; K174-Y176 PolarHBondContact O-N 2.99Å; Y176-Y179 HydrophobicContact CD2-CE2 4.07Å; Y176-Y179 WeakPolarHBondContact CD2-OH 3.23Å; Y176-Y179 AromaticContact CE2-CE2 3.68Å; Y176-Y179 HydrophobicContact CE2-CE2 3.68Å; Y176-Y179 AromaticContact CE2-CZ 3.97Å; Y176-Y179 WeakPolarHBondContact CE2-OH 3.36Å
177	G	94.1	Very high	96.6	Very high	15 Å²	15	29.4 Å²	29.4	16%	0.155	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	174.1	-177.3	0	0	0	0	0	114.3	K174 N221	K174-G177 PolarHBondContact N-O 3.36Å; K174-G177 PolarHBondContact O-N 2.83Å; G177-N221 WeakPolarHBondContact CA-OD1 3.37Å
178	Q	97.1	Very high	96.4	Very high	42 Å²	42	29.4 Å²	29.4	20%	0.196	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136	175.7	-179	177.5	-86.4	0	0	110.1	K171 V173 S220 N221	K171-Q178 HydrophobicContact CB-CG 4.49Å; V173-Q178 HydrophobicContact CG2-CG 4.32Å; Q178-S220 PolarHBondContact NE2-OG 2.95Å; Q178-S220 CarbonylContact O-C 3.51Å; Q178-S220 WeakPolarHBondContact O-CA 3.37Å; Q178-S220 WeakPolarHBondContact O-CB 3.46Å; Q178-N221 PolarHBondContact N-OD1 2.84Å; Q178-N221 PolarHBondContact O-N 2.94Å; Q178-N221 PolarHBondContact O-OD1 2.89Å
179	Y	98.4	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	127.1	-177.4	-52.8	-84.9	0	0	0	109.9	F52 L172 K174 Y176 N221 Q222 V294 D297	F52-Y179 HydrophobicContact CD1-CD2 4.14Å; F52-Y179 HydrophobicContact CD1-CE2 4.06Å; F52-Y179 AromaticContact CE1-CD1 3.66Å; F52-Y179 HydrophobicContact CE1-CD1 3.66Å; F52-Y179 AromaticContact CE1-CD2 3.32Å; F52-Y179 HydrophobicContact CE1-CD2 3.32Å; F52-Y179 AromaticContact CE1-CE1 3.81Å; F52-Y179 HydrophobicContact CE1-CE1 3.81Å; F52-Y179 AromaticContact CE1-CE2 3.47Å; F52-Y179 HydrophobicContact CE1-CE2 3.47Å; F52-Y179 VanDerWaalsContact CE1-CE2 3.47Å; F52-Y179 AromaticContact CE1-CG 3.42Å; F52-Y179 HydrophobicContact CE1-CG 3.42Å; F52-Y179 VanDerWaalsContact CE1-CG 3.42Å; F52-Y179 AromaticContact CE1-CZ 3.71Å; F52-Y179 AromaticContact CZ-CD1 3.85Å; F52-Y179 HydrophobicContact CZ-CD1 3.85Å; F52-Y179 AromaticContact CZ-CD2 3.84Å; F52-Y179 HydrophobicContact CZ-CD2 3.84Å; F52-Y179 HydrophobicContact CZ-CE1 4.42Å; F52-Y179 HydrophobicContact CZ-CE2 4.4Å; F52-Y179 AromaticContact CZ-CG 3.52Å; F52-Y179 HydrophobicContact CZ-CG 3.52Å; L172-Y179 PolarHBondContact N-O 3.44Å; L172-Y179 PolarHBondContact O-N 2.84Å; K174-Y179 HydrophobicContact CG-CE2 4.5Å; Y176-Y179 HydrophobicContact CD2-CE2 4.07Å; Y176-Y179 WeakPolarHBondContact CD2-OH 3.23Å; Y176-Y179 AromaticContact CE2-CE2 3.68Å; Y176-Y179 HydrophobicContact CE2-CE2 3.68Å; Y176-Y179 AromaticContact CE2-CZ 3.97Å; Y176-Y179 WeakPolarHBondContact CE2-OH 3.36Å; Y179-N221 HydrophobicContact CD1-CB 4.27Å; Y179-N221 HydrophobicContact CE1-CB 3.8Å; Y179-Q222 WeakPolarHBondContact CA-O 3.41Å; Y179-Q222 HydrophobicContact CD1-CB 3.95Å; Y179-Q222 HydrophobicContact CD1-CG 4.28Å; Y179-Q222 HydrophobicContact CE1-CB 4.49Å; Y179-Q222 HydrophobicContact CE1-CG 4.33Å; Y179-V294 HydrophobicContact CD1-CG1 4.25Å; Y179-V294 HydrophobicContact CE1-CG1 3.71Å; Y179-D297 WeakPolarHBondContact CE1-OD1 3.35Å; Y179-D297 PolarHBondContact OH-OD1 2.9Å
180	S	98.6	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.5	-175.7	-73	0	0	0	0	112.1	F170 S220 Q222 T223 F224	F170-S180 CarbonylContact O-C 3.57Å; F170-S180 WeakPolarHBondContact O-CA 3.34Å; S180-S220 PolarHBondContact OG-OG 2.93Å; S180-Q222 PolarHBondContact N-O 2.81Å; S180-T223 CarbonylContact O-C 3.56Å; S180-T223 VanDerWaalsContact O-CA 3.31Å; S180-T223 WeakPolarHBondContact O-CA 3.24Å; S180-F224 PolarHBondContact O-N 3.4Å
181	F	98.7	Very high	95.8	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116.4	176.1	-64.6	-94.2	0	0	0	108	F52 F54 I89 I91 I169 F170 L172 F224 F226	F52-F181 HydrophobicContact CE2-CZ 4.05Å; F52-F181 HydrophobicContact CZ-CZ 4.47Å; F54-F181 AromaticContact CD1-CE1 3.78Å; F54-F181 HydrophobicContact CD1-CE1 3.78Å; F54-F181 AromaticContact CD1-CZ 3.87Å; F54-F181 HydrophobicContact CD1-CZ 3.87Å; F54-F181 HydrophobicContact CD2-CE1 4.1Å; F54-F181 AromaticContact CE1-CE1 3.74Å; F54-F181 HydrophobicContact CE1-CE1 3.74Å; F54-F181 HydrophobicContact CE1-CZ 4.03Å; F54-F181 HydrophobicContact CE2-CE1 4.07Å; F54-F181 AromaticContact CG-CE1 3.94Å; F54-F181 HydrophobicContact CG-CE1 3.94Å; F54-F181 HydrophobicContact CG-CZ 4.32Å; F54-F181 AromaticContact CZ-CE1 3.88Å; F54-F181 HydrophobicContact CZ-CE1 3.88Å; I89-F181 HydrophobicContact CD1-CD1 4.12Å; I89-F181 HydrophobicContact CD1-CD2 3.44Å; I89-F181 VanDerWaalsContact CD1-CD2 3.44Å; I89-F181 HydrophobicContact CD1-CE1 3.96Å; I89-F181 HydrophobicContact CD1-CE2 3.26Å; I89-F181 HydrophobicContact CD1-CG 3.88Å; I89-F181 HydrophobicContact CD1-CZ 3.54Å; I91-F181 HydrophobicContact CD1-CD1 4.02Å; I91-F181 HydrophobicContact CD1-CE1 4.47Å; I169-F181 CarbonylContact C-O 3.58Å; I169-F181 WeakPolarHBondContact CA-O 3.49Å; F170-F181 HydrophobicContact CB-CB 4.4Å; F170-F181 HydrophobicContact CD1-CB 4.49Å; F170-F181 HydrophobicContact CD1-CD2 4.07Å; F170-F181 PolarHBondContact N-O 2.81Å; F170-F181 PolarHBondContact O-N 2.84Å; L172-F181 HydrophobicContact CB-CE2 4.13Å; L172-F181 HydrophobicContact CD2-CE2 4.48Å; F181-F224 CarbonylContact C-O 3.49Å; F181-F224 WeakPolarHBondContact CA-O 3.35Å; F181-F224 HydrophobicContact CD1-CB 4Å; F181-F224 HydrophobicContact CD1-CD2 4.24Å; F181-F224 HydrophobicContact CD1-CG 4.48Å; F181-F224 HydrophobicContact CE1-CB 4.19Å; F181-F224 AromaticContact CE1-CD2 3.71Å; F181-F224 HydrophobicContact CE1-CD2 3.71Å; F181-F224 HydrophobicContact CE1-CE2 4.49Å; F181-F224 HydrophobicContact CE1-CG 4.18Å; F181-F224 AromaticContact CZ-CD2 3.93Å; F181-F224 HydrophobicContact CZ-CD2 3.93Å; F181-F224 HydrophobicContact CZ-CE2 4.4Å; F181-F226 HydrophobicContact CB-CE1 4.21Å
182	I	98.6	Very high	95.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.5	-176.9	-57.3	173.2	0	0	0	108.9	S167 N168 I169 F210 I214 A217 T223 F224 V225 F226	S167-I182 WeakPolarHBondContact OG-CG2 3.27Å; N168-I182 CarbonylContact O-C 3.57Å; N168-I182 VanDerWaalsContact O-CA 3.29Å; N168-I182 WeakPolarHBondContact O-CA 3.26Å; I169-I182 HydrophobicContact CB-CG1 4.28Å; I169-I182 HydrophobicContact CD1-CG1 4.36Å; I169-I182 HydrophobicContact CG1-CG1 4.12Å; I182-F210 HydrophobicContact CG2-CD2 3.82Å; I182-F210 HydrophobicContact CG2-CE2 3.69Å; I182-I214 HydrophobicContact CD1-CG1 4.18Å; I182-A217 HydrophobicContact CD1-CB 4Å; I182-T223 HydrophobicContact CD1-CG2 3.74Å; I182-T223 HydrophobicContact CG1-CG2 4.2Å; I182-F224 PolarHBondContact N-O 2.84Å; I182-V225 HydrophobicContact CB-CG2 4.31Å; I182-V225 CarbonylContact O-C 3.49Å; I182-V225 VanDerWaalsContact O-CA 3.3Å; I182-V225 WeakPolarHBondContact O-CA 3.28Å; I182-F226 WeakPolarHBondContact O-CD1 3.24Å; I182-F226 PolarHBondContact O-N 3.04Å
183	S	98.2	Very high	95.3	Very high	10 Å²	10	26.3 Å²	26.3	7%	0.07	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	147.1	168.7	69.6	0	0	0	0	110.9	S167 N168 F226	S167-S183 WeakPolarHBondContact CA-O 3.5Å; S167-S183 WeakPolarHBondContact CB-O 3.49Å; S167-S183 PolarHBondContact OG-O 3.4Å; N168-S183 PolarHBondContact N-O 2.75Å; N168-S183 PolarHBondContact N-OG 2.65Å; N168-S183 PolarHBondContact O-N 3.31Å; S183-F226 CarbonylContact C-O 3.56Å; S183-F226 WeakPolarHBondContact CA-O 3.25Å; S183-F226 VanDerWaalsContact CB-CE2 3.46Å; S183-F226 VanDerWaalsContact CB-CZ 3.4Å
184	I	97.6	Very high	94.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	120.4	170.3	-165.5	174.4	0	0	0	110.8	R166 L186 F202 V206 F210 V225 F226 G227 L241 Y252	R166-I184 WeakPolarHBondContact O-CA 3.27Å; I184-L186 HydrophobicContact CD1-CD2 3.86Å; I184-L186 HydrophobicContact CD1-CG 4.29Å; I184-L186 HydrophobicContact CG1-CD2 4Å; I184-L186 HydrophobicContact CG1-CG 4.11Å; I184-F202 HydrophobicContact CD1-CD2 4.02Å; I184-F202 HydrophobicContact CD1-CE2 3.83Å; I184-V206 HydrophobicContact CD1-CG1 4.04Å; I184-V206 HydrophobicContact CG1-CG1 3.85Å; I184-F210 HydrophobicContact CD1-CB 4.29Å; I184-F210 HydrophobicContact CD1-CD1 4.14Å; I184-F210 HydrophobicContact CD1-CD2 4.07Å; I184-F210 HydrophobicContact CD1-CE1 4.49Å; I184-F210 HydrophobicContact CD1-CE2 4.43Å; I184-F210 HydrophobicContact CD1-CG 3.92Å; I184-V225 HydrophobicContact CG2-CG1 4.1Å; I184-F226 PolarHBondContact N-O 3.09Å; I184-G227 WeakPolarHBondContact O-CA 3.49Å; I184-L241 HydrophobicContact CD1-CD1 3.86Å; I184-Y252 HydrophobicContact CG2-CE2 3.98Å
185	D	96.9	Very high	94.5	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	12%	0.123	C	C	.	.			trans	-100.2	109.2	177.1	-174.1	-10.7	0	0	0	109.6	V135 R136 R166 S187	V135-D185 HydrophobicContact CG2-CB 3.85Å; R136-D185 IonicContact CZ-OD2 3.78Å; R136-D185 IonicContact NE-OD2 3.52Å; R136-D185 PolarHBondContact NE-OD2 2.98Å; R136-D185 IonicContact NH2-OD2 2.95Å; R136-D185 PolarHBondContact NH2-OD2 3.44Å; R166-D185 VanDerWaalsContact CZ-O 3.29Å; R166-D185 IonicContact CZ-OD1 2.75Å; R166-D185 IonicContact CZ-OD2 3.56Å; R166-D185 VanDerWaalsContact CZ-OD2 3.29Å; R166-D185 PolarHBondContact NE-O 2.83Å; R166-D185 VanDerWaalsContact NE-O 3.08Å; R166-D185 IonicContact NE-OD1 2.82Å; R166-D185 IonicContact NE-OD2 3.35Å; R166-D185 VanDerWaalsContact NH1-CG 3.27Å; R166-D185 IonicContact NH1-OD1 3.04Å; R166-D185 PolarHBondContact NH1-OD1 3.12Å; R166-D185 IonicContact NH1-OD2 3.84Å; R166-D185 PolarHBondContact NH1-OD2 3.38Å; R166-D185 VanDerWaalsContact NH2-CG 3.28Å; R166-D185 PolarHBondContact NH2-O 2.84Å; R166-D185 IonicContact NH2-OD1 2.73Å; R166-D185 PolarHBondContact NH2-OD1 2.92Å; R166-D185 IonicContact NH2-OD2 3.2Å; R166-D185 PolarHBondContact O-N 2.91Å; D185-S187 WeakPolarHBondContact OD1-CB 3.25Å; D185-S187 PolarHBondContact OD1-N 2.86Å; D185-S187 VanDerWaalsContact OD1-N 3.09Å
186	L	96	Very high	94.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.081	C	C	.	.			trans	-104.5	6.8	-177.4	-61.3	170.1	0	0	0	112.9	I184 G200 S201 F202 V206 Y229 V234 L241	I184-L186 HydrophobicContact CD1-CD2 3.86Å; I184-L186 HydrophobicContact CD1-CG 4.29Å; I184-L186 HydrophobicContact CG1-CD2 4Å; I184-L186 HydrophobicContact CG1-CG 4.11Å; L186-G200 CarbonylContact O-C 3.47Å; L186-G200 VanDerWaalsContact O-CA 3.25Å; L186-G200 WeakPolarHBondContact O-CA 3.44Å; L186-S201 PolarHBondContact O-N 3.4Å; L186-F202 HydrophobicContact CD2-CB 3.99Å; L186-F202 HydrophobicContact CD2-CD2 3.78Å; L186-F202 HydrophobicContact CD2-CG 4.36Å; L186-V206 HydrophobicContact CD2-CG1 4Å; L186-Y229 HydrophobicContact CB-CD2 3.7Å; L186-Y229 HydrophobicContact CB-CE2 4.09Å; L186-V234 HydrophobicContact CD1-CG1 4.26Å; L186-V234 HydrophobicContact CD1-CG2 3.55Å; L186-L241 HydrophobicContact CD1-CD2 3.98Å
187	S	95	Very high	94.3	Very high	5 Å²	5	15 Å²	15	4%	0.035	7%	0.074	C	C	.	.			trans	-63.6	146.7	178.2	-64.3	0	0	0	0	112.4	G137 R166 D185 Y229	G137-S187 PolarHBondContact O-OG 2.86Å; R166-S187 VanDerWaalsContact NH2-N 3.1Å; R166-S187 PolarHBondContact NH2-O 2.92Å; D185-S187 WeakPolarHBondContact OD1-CB 3.25Å; D185-S187 PolarHBondContact OD1-N 2.86Å; D185-S187 VanDerWaalsContact OD1-N 3.09Å; S187-Y229 PolarHBondContact OG-OH 2.8Å
188	T	92.9	Very high	94.3	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.043	8%	0.079	C	C	.	.			trans	-80.8	149.3	-175.3	58.4	0	0	0	0	112.1	F147 P190 G191 N197 I538	F147-T188 VanDerWaalsContact CZ-O 3.23Å; F147-T188 WeakPolarHBondContact CZ-O 3.5Å; T188-P190 CarbonylContact C-O 3.55Å; T188-P190 CarbonylContact O-C 3.56Å; T188-P190 PolarHBondContact OG1-O 3.15Å; T188-G191 WeakPolarHBondContact O-CA 3.33Å; T188-G191 PolarHBondContact O-N 3.49Å; T188-N197 PolarHBondContact OG1-OD1 3.31Å; T188-N197 VanDerWaalsContact OG1-OD1 3.05Å; T188-I538 HydrophobicContact CG2-CG2 3.79Å
189	E	91.5	Very high	94.2	Very high	91 Å²	91	15.3 Å²	15.3	43%	0.425	7%	0.071	S	C	.	.	S	Bend	trans	-126.3	116.3	173.7	-165.1	176.1	-174.2	0	0	109.3	S146 F147	S146-E189 WeakPolarHBondContact CA-OE1 3.37Å; S146-E189 WeakPolarHBondContact CB-OE1 3.26Å; F147-E189 HydrophobicContact CD2-CB 3.96Å; F147-E189 VanDerWaalsContact CD2-CD 3.46Å; F147-E189 HydrophobicContact CD2-CG 3.9Å; F147-E189 VanDerWaalsContact CD2-OE2 3.25Å; F147-E189 WeakPolarHBondContact CD2-OE2 3.38Å; F147-E189 HydrophobicContact CE2-CB 3.49Å; F147-E189 VanDerWaalsContact CE2-CB 3.49Å; F147-E189 HydrophobicContact CE2-CG 3.91Å; F147-E189 HydrophobicContact CG-CG 4.32Å; F147-E189 HydrophobicContact CZ-CB 3.99Å; F147-E189 HydrophobicContact CZ-CG 4.4Å; F147-E189 PolarHBondContact N-OE1 3.4Å
190	P	94.4	Very high	94	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	S	Bend	cis	-64.6	149.1	-4.8	27	-34.2	0	0	0	113	V144 T188 V519 K522 I533 I538	V144-P190 CarbonylContact O-C 3.33Å; V144-P190 WeakPolarHBondContact O-CA 3.15Å; T188-P190 CarbonylContact C-O 3.55Å; T188-P190 CarbonylContact O-C 3.56Å; T188-P190 PolarHBondContact OG1-O 3.15Å; P190-V519 HydrophobicContact CB-CB 4.29Å; P190-V519 HydrophobicContact CB-CG1 4.05Å; P190-V519 HydrophobicContact CB-CG2 4.32Å; P190-K522 HydrophobicContact CG-CD 4.46Å; P190-I533 HydrophobicContact CG-CB 4.01Å; P190-I533 HydrophobicContact CG-CD1 4.17Å; P190-I533 HydrophobicContact CG-CG2 3.8Å; P190-I538 HydrophobicContact CG-CD1 4Å
191	G	93.7	Very high	93.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-78.6	119.7	175.1	0	0	0	0	0	111.2	S141 G143 V144 T188 V519	S141-G191 CarbonylContact O-C 3.57Å; S141-G191 VanDerWaalsContact O-CA 3.27Å; S141-G191 WeakPolarHBondContact O-CA 3.42Å; G143-G191 CarbonylContact C-O 3.53Å; G143-G191 VanDerWaalsContact CA-O 3.29Å; G143-G191 WeakPolarHBondContact CA-O 3.39Å; G143-G191 PolarHBondContact N-O 3.39Å; V144-G191 PolarHBondContact N-O 2.98Å; V144-G191 PolarHBondContact O-N 3Å; T188-G191 WeakPolarHBondContact O-CA 3.33Å; T188-G191 PolarHBondContact O-N 3.49Å; G191-V519 WeakPolarHBondContact O-CG2 3.17Å
192	L	92.3	Very high	93.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.076	C	C	.	.	P	Polyproline II helix	trans	-74.3	171.4	-173.5	-63.2	168.5	0	0	0	112.3	F142 G143 L196 N197 V519 I531 I533 I538 E540	F142-L192 WeakPolarHBondContact CA-O 3.32Å; F142-L192 WeakPolarHBondContact CD1-O 3.22Å; G143-L192 PolarHBondContact N-O 2.85Å; L192-L196 CarbonylContact C-O 3.48Å; L192-L196 WeakPolarHBondContact CB-O 3.42Å; L192-L196 HydrophobicContact CD1-CB 4.34Å; L192-N197 HydrophobicContact CB-CB 4.04Å; L192-V519 HydrophobicContact CD2-CG2 4.31Å; L192-I531 HydrophobicContact CD1-CD1 3.56Å; L192-I531 HydrophobicContact CD2-CD1 4.06Å; L192-I531 HydrophobicContact CG-CD1 4.47Å; L192-I533 HydrophobicContact CD2-CD1 3.3Å; L192-I533 HydrophobicContact CD2-CG1 4.46Å; L192-I538 HydrophobicContact CD1-CD1 4.43Å; L192-I538 HydrophobicContact CD1-CG2 3.87Å; L192-I538 HydrophobicContact CD2-CD1 3.87Å; L192-I538 HydrophobicContact CG-CD1 4.09Å; L192-E540 HydrophobicContact CD1-CB 4.02Å; L192-E540 HydrophobicContact CD1-CG 4.22Å
193	K	91.6	Very high	93.2	Very high	48 Å²	48	19.2 Å²	19.2	21%	0.209	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-100.9	151.5	176.6	-69.2	179.5	-178.2	171.7	0	110.9	S107 L196 Y635	S107-K193 WeakPolarHBondContact OG-CA 3.45Å; S107-K193 VanDerWaalsContact OG-CB 3.31Å; S107-K193 WeakPolarHBondContact OG-CB 3.47Å; K193-L196 CarbonylContact C-O 3.48Å; K193-L196 PolarHBondContact N-O 2.85Å; K193-L196 CarbonylContact O-C 3.51Å; K193-L196 PolarHBondContact O-N 2.93Å; K193-Y635 HydrophobicContact CB-CE1 3.9Å; K193-Y635 HydrophobicContact CD-CD1 4.46Å; K193-Y635 HydrophobicContact CD-CE1 4.42Å; K193-Y635 PolarHBondContact O-OH 3.26Å
194	W	87.7	Confident	92.8	Very high	72 Å²	72	24.7 Å²	24.7	27%	0.273	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	135.8	169.4	-178	88.3	0	0	0	111.2	S107 F142 S634	S107-W194 PolarHBondContact OG-N 2.73Å; F142-W194 HydrophobicContact CE1-CB 4.29Å; F142-W194 HydrophobicContact CZ-CB 4.2Å; W194-S634 WeakPolarHBondContact O-CB 3.31Å; W194-S634 PolarHBondContact O-OG 2.98Å
195	P	88.4	Confident	92.6	Very high	13 Å²	13	29.1 Å²	29.1	8%	0.084	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.1	-9.2	7.2	36.8	-40.8	0	0	0	115.1	N197 L542 F630	P195-N197 PolarHBondContact O-N 2.88Å; P195-L542 HydrophobicContact CB-CD2 4.19Å; P195-L542 WeakPolarHBondContact O-CD2 3.38Å; P195-F630 HydrophobicContact CB-CD1 4.46Å; P195-F630 HydrophobicContact CG-CD1 4.07Å
196	L	87.2	Confident	92.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-90.5	95.9	-173.3	-60.3	177.1	0	0	0	107.9	L192 K193 F514 V526 I531 E540 L542 T543 L546	L192-L196 CarbonylContact C-O 3.48Å; L192-L196 WeakPolarHBondContact CB-O 3.42Å; L192-L196 HydrophobicContact CD1-CB 4.34Å; K193-L196 CarbonylContact C-O 3.48Å; K193-L196 PolarHBondContact N-O 2.85Å; K193-L196 CarbonylContact O-C 3.51Å; K193-L196 PolarHBondContact O-N 2.93Å; L196-F514 HydrophobicContact CD1-CE1 4.4Å; L196-F514 HydrophobicContact CD1-CZ 3.68Å; L196-V526 HydrophobicContact CD1-CG1 4.3Å; L196-V526 HydrophobicContact CD1-CG2 4.35Å; L196-I531 HydrophobicContact CB-CD1 4.27Å; L196-I531 HydrophobicContact CD1-CD1 3.86Å; L196-E540 HydrophobicContact CB-CG 4.14Å; L196-E540 HydrophobicContact CD2-CG 4.03Å; L196-L542 HydrophobicContact CD2-CB 4.09Å; L196-L542 HydrophobicContact CD2-CD2 4.45Å; L196-T543 HydrophobicContact CD2-CG2 4.11Å; L196-L546 HydrophobicContact CD1-CD1 4.43Å; L196-L546 HydrophobicContact CD2-CD1 3.7Å; L196-L546 HydrophobicContact CG-CD1 4.33Å
197	N	91.4	Very high	92.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	15%	0.154	C	C	.	.			trans	-177.2	45.8	162.2	-156.2	20.7	0	0	0	107.5	N138 S141 F142 T188 L192 P195 E540	N138-N197 HydrophobicContact CB-CB 4.42Å; N138-N197 WeakPolarHBondContact CB-O 3.48Å; N138-N197 PolarHBondContact ND2-O 3.31Å; N138-N197 PolarHBondContact O-ND2 2.86Å; S141-N197 PolarHBondContact OG-ND2 3.33Å; F142-N197 HydrophobicContact CD1-CB 3.96Å; F142-N197 HydrophobicContact CE1-CB 3.69Å; T188-N197 PolarHBondContact OG1-OD1 3.31Å; T188-N197 VanDerWaalsContact OG1-OD1 3.05Å; L192-N197 HydrophobicContact CB-CB 4.04Å; P195-N197 PolarHBondContact O-N 2.88Å; N197-E540 VanDerWaalsContact CA-OE2 3.23Å; N197-E540 WeakPolarHBondContact CA-OE2 3.34Å; N197-E540 PolarHBondContact N-OE2 3.47Å
198	F	93.6	Very high	92.4	Very high	61 Å²	61	35.3 Å²	35.3	27%	0.268	18%	0.178	S	C	.	.			trans	-99.6	-27.7	-171	-168.1	-94.6	0	0	0	111.8	T233 H256 L257 E540	F198-T233 HydrophobicContact CD1-CG2 4.39Å; F198-T233 HydrophobicContact CE1-CG2 3.72Å; F198-T233 HydrophobicContact CZ-CG2 4.47Å; F198-H256 AromaticContact CD1-NE2 3.73Å; F198-H256 AromaticContact CD2-CE1 3.75Å; F198-H256 AromaticContact CD2-NE2 3.65Å; F198-H256 AromaticContact CE1-NE2 3.53Å; F198-H256 AromaticContact CE2-CE1 3.82Å; F198-H256 AromaticContact CE2-NE2 3.43Å; F198-H256 WeakPolarHBondContact CE2-NE2 3.37Å; F198-H256 AromaticContact CG-NE2 3.8Å; F198-H256 AromaticContact CZ-NE2 3.38Å; F198-H256 WeakPolarHBondContact CZ-NE2 3.48Å; F198-H256 PolarHBondContact O-CE1 3.36Å; F198-H256 PolarHBondContact O-NE2 3.2Å; F198-H256 VanDerWaalsContact O-NE2 3.08Å; F198-L257 HydrophobicContact CE1-CD2 4.5Å; F198-L257 HydrophobicContact CZ-CD2 3.86Å; F198-E540 PolarHBondContact N-OE2 2.93Å
199	F	94.5	Very high	92.5	Very high	3 Å²	3	36.6 Å²	36.6	1%	0.013	18%	0.183	C	C	.	.			trans	-101	128.1	-177	-77.4	-98.5	0	0	0	112.1	T233 V235 L445 I449 E540 R541	F199-T233 CarbonylContact C-O 3.5Å; F199-T233 VanDerWaalsContact CA-O 3.28Å; F199-T233 WeakPolarHBondContact CA-O 3.43Å; F199-T233 WeakPolarHBondContact CD1-O 3.31Å; F199-V235 HydrophobicContact CB-CG2 4.2Å; F199-V235 HydrophobicContact CD1-CG2 4Å; F199-V235 HydrophobicContact CG-CG2 4.43Å; F199-L445 HydrophobicContact CE1-CB 4.24Å; F199-L445 HydrophobicContact CZ-CB 4.09Å; F199-I449 HydrophobicContact CE2-CD1 4.37Å; F199-I449 HydrophobicContact CZ-CD1 4Å; F199-E540 VanDerWaalsContact CD2-OE1 3.3Å; F199-E540 WeakPolarHBondContact CD2-OE1 3.4Å; F199-E540 PolarHBondContact N-OE2 3.14Å; F199-R541 HydrophobicContact CD1-CB 4.06Å; F199-R541 HydrophobicContact CD1-CG 3.92Å; F199-R541 HydrophobicContact CD2-CB 3.68Å; F199-R541 HydrophobicContact CD2-CG 4.28Å; F199-R541 HydrophobicContact CE1-CB 4.04Å; F199-R541 HydrophobicContact CE1-CG 4.2Å; F199-R541 HydrophobicContact CE2-CB 3.64Å; F199-R541 HydrophobicContact CG-CB 3.9Å; F199-R541 HydrophobicContact CG-CG 3.97Å; F199-R541 HydrophobicContact CZ-CB 3.83Å; F199-R541 HydrophobicContact CZ-CG 4.49Å
200	G	94.8	Very high	92.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	154.8	171.4	0	0	0	0	0	111.8	L186 Y229 T233 V235	L186-G200 CarbonylContact O-C 3.47Å; L186-G200 VanDerWaalsContact O-CA 3.25Å; L186-G200 WeakPolarHBondContact O-CA 3.44Å; G200-Y229 VanDerWaalsContact N-CD1 3.35Å; G200-T233 PolarHBondContact N-O 3.06Å; G200-V235 PolarHBondContact O-N 2.68Å
201	S	93.5	Very high	92.8	Very high	17 Å²	17	34 Å²	34	12%	0.119	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.6	179.6	-174.4	0	0	0	0	111.9	L186 N203	L186-S201 PolarHBondContact O-N 3.4Å; S201-N203 PolarHBondContact O-N 3.46Å
202	F	94.3	Very high	93	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	76.8	169.6	-170.2	-120.8	0	0	0	110.2	I184 L186 V206 K207 F210 V234 V235 L241 M244	I184-F202 HydrophobicContact CD1-CD2 4.02Å; I184-F202 HydrophobicContact CD1-CE2 3.83Å; L186-F202 HydrophobicContact CD2-CB 3.99Å; L186-F202 HydrophobicContact CD2-CD2 3.78Å; L186-F202 HydrophobicContact CD2-CG 4.36Å; F202-V206 HydrophobicContact CD2-CB 4.24Å; F202-V206 HydrophobicContact CD2-CG1 3.91Å; F202-V206 HydrophobicContact CE2-CG1 4.07Å; F202-K207 HydrophobicContact CE1-CB 4.02Å; F202-K207 HydrophobicContact CE1-CG 4.03Å; F202-K207 HydrophobicContact CE2-CB 4.11Å; F202-K207 HydrophobicContact CZ-CB 3.69Å; F202-K207 HydrophobicContact CZ-CG 3.86Å; F202-F210 HydrophobicContact CE2-CB 4.25Å; F202-F210 HydrophobicContact CE2-CD1 4.07Å; F202-F210 HydrophobicContact CE2-CG 4.49Å; F202-F210 AromaticContact CZ-CD1 3.99Å; F202-F210 HydrophobicContact CZ-CD1 3.99Å; F202-V234 HydrophobicContact CB-CG1 3.74Å; F202-V235 PolarHBondContact N-O 3.1Å; F202-L241 HydrophobicContact CD1-CB 3.99Å; F202-L241 HydrophobicContact CD2-CD1 4.2Å; F202-L241 HydrophobicContact CE1-CB 4.22Å; F202-L241 HydrophobicContact CE1-CD1 4.4Å; F202-L241 HydrophobicContact CE2-CD1 4Å; F202-L241 HydrophobicContact CG-CB 4.31Å; F202-L241 HydrophobicContact CG-CD1 4.49Å; F202-L241 HydrophobicContact CZ-CD1 4.1Å; F202-M244 HydrophobicContact CE1-SD 3.86Å; F202-M244 HydrophobicContact CZ-CE 4.35Å; F202-M244 HydrophobicContact CZ-SD 3.65Å
203	N	91.2	Very high	93.3	Very high	65 Å²	65	40.2 Å²	40.2	35%	0.348	20%	0.202	S	C	.	.			trans	-86	175.3	-179.9	66.4	48.5	0	0	0	112.6	S201 N205 V206 K207	S201-N203 PolarHBondContact O-N 3.46Å; N203-N205 VanDerWaalsContact C-N 3.29Å; N203-N205 PolarHBondContact O-N 2.74Å; N203-N205 WeakPolarHBondContact OD1-CB 3.41Å; N203-N205 PolarHBondContact OD1-N 3.02Å; N203-V206 PolarHBondContact O-N 3.25Å; N203-V206 PolarHBondContact OD1-N 2.89Å; N203-V206 VanDerWaalsContact OD1-N 3.07Å; N203-K207 WeakPolarHBondContact O-CB 3.43Å; N203-K207 PolarHBondContact O-N 3.34Å
204	L	91.3	Very high	93.5	Very high	124 Å²	124	38.9 Å²	38.9	65%	0.649	20%	0.198	S	C	*	.	H	α-helix	trans	-58.8	-35.9	-176.6	-172.9	64.5	0	0	0	113.7	K207 T208	L204-K207 HydrophobicContact CD1-CD 4.45Å; L204-T208 WeakPolarHBondContact O-CB 3.39Å; L204-T208 PolarHBondContact O-N 2.78Å; L204-T208 PolarHBondContact O-OG1 3.17Å
205	N	91.6	Very high	93.9	Very high	93 Å²	93	39.7 Å²	39.7	50%	0.497	21%	0.207	S	C	.	.	H	α-helix	trans	-65.7	-52.7	177.6	179.3	28.6	0	0	0	110.5	N203 K207 T208 Q209	N203-N205 VanDerWaalsContact C-N 3.29Å; N203-N205 PolarHBondContact O-N 2.74Å; N203-N205 WeakPolarHBondContact OD1-CB 3.41Å; N203-N205 PolarHBondContact OD1-N 3.02Å; N205-K207 VanDerWaalsContact C-N 3.3Å; N205-K207 PolarHBondContact O-N 3.27Å; N205-T208 PolarHBondContact O-N 3.37Å; N205-Q209 WeakPolarHBondContact O-CG 3.42Å; N205-Q209 PolarHBondContact O-N 2.86Å; N205-Q209 VanDerWaalsContact O-N 3.13Å; N205-Q209 PolarHBondContact OD1-NE2 3.31Å
206	V	94.6	Very high	94.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-42.7	178.3	-175.4	0	0	0	0	110.7	R166 I184 L186 F202 N203 T208 Q209 F210	R166-V206 HydrophobicContact CB-CG1 4.4Å; R166-V206 HydrophobicContact CB-CG2 4.07Å; R166-V206 HydrophobicContact CG-CG2 4.3Å; I184-V206 HydrophobicContact CD1-CG1 4.04Å; I184-V206 HydrophobicContact CG1-CG1 3.85Å; L186-V206 HydrophobicContact CD2-CG1 4Å; F202-V206 HydrophobicContact CD2-CB 4.24Å; F202-V206 HydrophobicContact CD2-CG1 3.91Å; F202-V206 HydrophobicContact CE2-CG1 4.07Å; N203-V206 PolarHBondContact O-N 3.25Å; N203-V206 PolarHBondContact OD1-N 2.89Å; N203-V206 VanDerWaalsContact OD1-N 3.07Å; V206-T208 VanDerWaalsContact C-N 3.34Å; V206-T208 PolarHBondContact O-N 3.47Å; V206-Q209 PolarHBondContact O-N 2.96Å; V206-F210 VanDerWaalsContact O-CB 3.28Å; V206-F210 WeakPolarHBondContact O-CB 3.49Å; V206-F210 PolarHBondContact O-N 2.84Å
207	K	94.5	Very high	94.8	Very high	57 Å²	57	42.9 Å²	42.9	25%	0.248	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-44.9	175.9	-178.4	-171	-174.9	172.5	0	112.6	F202 N203 L204 N205 F210 S211 S239 M244	F202-K207 HydrophobicContact CE1-CB 4.02Å; F202-K207 HydrophobicContact CE1-CG 4.03Å; F202-K207 HydrophobicContact CE2-CB 4.11Å; F202-K207 HydrophobicContact CZ-CB 3.69Å; F202-K207 HydrophobicContact CZ-CG 3.86Å; N203-K207 WeakPolarHBondContact O-CB 3.43Å; N203-K207 PolarHBondContact O-N 3.34Å; L204-K207 HydrophobicContact CD1-CD 4.45Å; N205-K207 VanDerWaalsContact C-N 3.3Å; N205-K207 PolarHBondContact O-N 3.27Å; K207-F210 PolarHBondContact O-N 3.25Å; K207-S211 WeakPolarHBondContact O-CB 3.27Å; K207-S211 PolarHBondContact O-N 2.77Å; K207-S211 PolarHBondContact O-OG 2.98Å; K207-S239 VanDerWaalsContact CD-OG 3.28Å; K207-S239 WeakPolarHBondContact CD-OG 3.18Å; K207-S239 VanDerWaalsContact CE-OG 3.25Å; K207-S239 WeakPolarHBondContact CE-OG 3.42Å; K207-S239 PolarHBondContact NZ-OG 3.41Å; K207-M244 HydrophobicContact CG-CE 4.4Å; K207-M244 HydrophobicContact CG-SD 4.11Å
208	T	94.8	Very high	95	Very high	85 Å²	85	49.7 Å²	49.7	52%	0.521	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-45.9	-179.2	-59.1	0	0	0	0	110.6	L204 N205 V206 S211 K212	L204-T208 WeakPolarHBondContact O-CB 3.39Å; L204-T208 PolarHBondContact O-N 2.78Å; L204-T208 PolarHBondContact O-OG1 3.17Å; N205-T208 PolarHBondContact O-N 3.37Å; V206-T208 VanDerWaalsContact C-N 3.34Å; V206-T208 PolarHBondContact O-N 3.47Å; T208-S211 PolarHBondContact O-N 3.18Å; T208-K212 PolarHBondContact O-N 3.03Å
209	Q	96.1	Very high	95	Very high	33 Å²	33	53.1 Å²	53.1	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-42	177.8	-62.1	-176.8	30	0	0	111.9	N205 V206 K212 S213	N205-Q209 WeakPolarHBondContact O-CG 3.42Å; N205-Q209 PolarHBondContact O-N 2.86Å; N205-Q209 VanDerWaalsContact O-N 3.13Å; N205-Q209 PolarHBondContact OD1-NE2 3.31Å; V206-Q209 PolarHBondContact O-N 2.96Å; Q209-K212 WeakPolarHBondContact O-CB 3.45Å; Q209-K212 PolarHBondContact O-N 3.49Å; Q209-S213 PolarHBondContact O-N 2.94Å; Q209-S213 PolarHBondContact O-OG 3.49Å
210	F	96.6	Very high	95.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.1	-38.9	178	-174.5	-127.6	0	0	0	112.5	I182 I184 F202 V206 K207 K212 S213 I214 V225 L241 M244 I245	I182-F210 HydrophobicContact CG2-CD2 3.82Å; I182-F210 HydrophobicContact CG2-CE2 3.69Å; I184-F210 HydrophobicContact CD1-CB 4.29Å; I184-F210 HydrophobicContact CD1-CD1 4.14Å; I184-F210 HydrophobicContact CD1-CD2 4.07Å; I184-F210 HydrophobicContact CD1-CE1 4.49Å; I184-F210 HydrophobicContact CD1-CE2 4.43Å; I184-F210 HydrophobicContact CD1-CG 3.92Å; F202-F210 HydrophobicContact CE2-CB 4.25Å; F202-F210 HydrophobicContact CE2-CD1 4.07Å; F202-F210 HydrophobicContact CE2-CG 4.49Å; F202-F210 AromaticContact CZ-CD1 3.99Å; F202-F210 HydrophobicContact CZ-CD1 3.99Å; V206-F210 VanDerWaalsContact O-CB 3.28Å; V206-F210 WeakPolarHBondContact O-CB 3.49Å; V206-F210 PolarHBondContact O-N 2.84Å; K207-F210 PolarHBondContact O-N 3.25Å; F210-K212 VanDerWaalsContact C-N 3.31Å; F210-K212 PolarHBondContact O-N 2.72Å; F210-S213 PolarHBondContact O-N 3.21Å; F210-I214 HydrophobicContact CD1-CD1 3.83Å; F210-I214 HydrophobicContact CD2-CD1 4.47Å; F210-I214 HydrophobicContact CE1-CD1 3.43Å; F210-I214 VanDerWaalsContact CE1-CD1 3.43Å; F210-I214 HydrophobicContact CE1-CG1 4.36Å; F210-I214 HydrophobicContact CE2-CD1 4.12Å; F210-I214 HydrophobicContact CE2-CG1 4.18Å; F210-I214 HydrophobicContact CG-CD1 4.34Å; F210-I214 HydrophobicContact CZ-CD1 3.59Å; F210-I214 HydrophobicContact CZ-CG1 4.1Å; F210-I214 WeakPolarHBondContact O-CG1 3.43Å; F210-I214 PolarHBondContact O-N 3.38Å; F210-V225 HydrophobicContact CE2-CG1 3.78Å; F210-V225 HydrophobicContact CE2-CG2 4.03Å; F210-V225 HydrophobicContact CZ-CG1 3.93Å; F210-V225 HydrophobicContact CZ-CG2 3.97Å; F210-L241 HydrophobicContact CD1-CD1 4.21Å; F210-L241 HydrophobicContact CE1-CD1 3.81Å; F210-L241 HydrophobicContact CZ-CD1 4.5Å; F210-M244 HydrophobicContact CD1-CB 4.33Å; F210-M244 HydrophobicContact CD1-CE 3.65Å; F210-M244 HydrophobicContact CD1-SD 4.31Å; F210-M244 HydrophobicContact CE1-CB 3.87Å; F210-M244 HydrophobicContact CE1-CE 4.29Å; F210-M244 HydrophobicContact CG-CE 4.48Å; F210-I245 HydrophobicContact CE1-CG1 4.16Å; F210-I245 HydrophobicContact CZ-CG1 3.94Å
211	S	96	Very high	95.1	Very high	36 Å²	36	57.5 Å²	57.5	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-59.7	-43.6	174.6	-56.1	0	0	0	0	110.9	K207 T208 I214 D215 M244	K207-S211 WeakPolarHBondContact O-CB 3.27Å; K207-S211 PolarHBondContact O-N 2.77Å; K207-S211 PolarHBondContact O-OG 2.98Å; T208-S211 PolarHBondContact O-N 3.18Å; S211-I214 PolarHBondContact O-N 3.23Å; S211-D215 PolarHBondContact O-N 2.94Å; S211-M244 WeakPolarHBondContact OG-CE 3.36Å
212	K	97.2	Very high	95.2	Very high	125 Å²	125	57 Å²	57	54%	0.543	29%	0.293	S	S	.	.	H	α-helix	trans	-59.9	-47.9	175.4	-175.4	-174.4	174.9	-169	0	111.6	T208 Q209 F210 I214 D215 E216	T208-K212 PolarHBondContact O-N 3.03Å; Q209-K212 WeakPolarHBondContact O-CB 3.45Å; Q209-K212 PolarHBondContact O-N 3.49Å; F210-K212 VanDerWaalsContact C-N 3.31Å; F210-K212 PolarHBondContact O-N 2.72Å; K212-I214 VanDerWaalsContact C-N 3.31Å; K212-I214 PolarHBondContact O-N 2.73Å; K212-D215 PolarHBondContact O-N 3.39Å; K212-E216 WeakPolarHBondContact CE-OE1 2.89Å; K212-E216 WeakPolarHBondContact O-CG 3.3Å; K212-E216 PolarHBondContact O-N 3.45Å
213	S	97.5	Very high	95.4	Very high	6 Å²	6	57.3 Å²	57.3	4%	0.042	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-40.9	176	-59.8	0	0	0	0	112.2	S167 I169 Q209 F210 E216 A217	S167-S213 PolarHBondContact OG-OG 2.83Å; I169-S213 WeakPolarHBondContact CD1-O 3.3Å; Q209-S213 PolarHBondContact O-N 2.94Å; Q209-S213 PolarHBondContact O-OG 3.49Å; F210-S213 PolarHBondContact O-N 3.21Å; S213-E216 PolarHBondContact O-N 2.95Å; S213-A217 PolarHBondContact O-N 2.88Å; S213-A217 VanDerWaalsContact O-N 3.17Å
214	I	96.8	Very high	95.8	Very high	21 Å²	21	54.2 Å²	54.2	11%	0.108	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-45.5	176	-76.4	173.6	0	0	0	111.4	I182 F210 S211 K212 E216 A217 K218 M244 S248	I182-I214 HydrophobicContact CD1-CG1 4.18Å; F210-I214 HydrophobicContact CD1-CD1 3.83Å; F210-I214 HydrophobicContact CD2-CD1 4.47Å; F210-I214 HydrophobicContact CE1-CD1 3.43Å; F210-I214 VanDerWaalsContact CE1-CD1 3.43Å; F210-I214 HydrophobicContact CE1-CG1 4.36Å; F210-I214 HydrophobicContact CE2-CD1 4.12Å; F210-I214 HydrophobicContact CE2-CG1 4.18Å; F210-I214 HydrophobicContact CG-CD1 4.34Å; F210-I214 HydrophobicContact CZ-CD1 3.59Å; F210-I214 HydrophobicContact CZ-CG1 4.1Å; F210-I214 WeakPolarHBondContact O-CG1 3.43Å; F210-I214 PolarHBondContact O-N 3.38Å; S211-I214 PolarHBondContact O-N 3.23Å; K212-I214 VanDerWaalsContact C-N 3.31Å; K212-I214 PolarHBondContact O-N 2.73Å; I214-E216 VanDerWaalsContact C-N 3.27Å; I214-E216 PolarHBondContact O-N 3.09Å; I214-A217 PolarHBondContact O-N 3.24Å; I214-K218 PolarHBondContact O-N 2.95Å; I214-M244 HydrophobicContact CD1-CB 3.94Å; I214-M244 HydrophobicContact CD1-CE 4.1Å; I214-M244 WeakPolarHBondContact CD1-O 3.34Å; I214-S248 WeakPolarHBondContact CD1-OG 3.29Å
215	D	97	Very high	96.1	Very high	88 Å²	88	48.3 Å²	48.3	47%	0.471	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-40.2	178.9	-76.5	-31.6	0	0	0	111.3	S211 K212 A217 K218	S211-D215 PolarHBondContact O-N 2.94Å; K212-D215 PolarHBondContact O-N 3.39Å; D215-A217 PolarHBondContact O-N 2.81Å; D215-K218 PolarHBondContact O-N 2.67Å; D215-K218 VanDerWaalsContact OD1-CE 3.25Å; D215-K218 WeakPolarHBondContact OD1-CE 3.15Å; D215-K218 IonicContact OD1-NZ 3.07Å; D215-K218 PolarHBondContact OD1-NZ 3.22Å
216	E	97	Very high	96.5	Very high	78 Å²	78	44.1 Å²	44.1	36%	0.364	23%	0.225	S	C	.	.	H	α-helix	trans	-67	-23.3	174.8	-70.5	-179	-148.6	0	0	113.2	I169 K171 K212 S213 I214	I169-E216 HydrophobicContact CD1-CB 3.96Å; I169-E216 HydrophobicContact CG2-CB 4.46Å; I169-E216 WeakPolarHBondContact CG2-OE2 3.24Å; K171-E216 WeakPolarHBondContact CE-O 3.45Å; K171-E216 PolarHBondContact NZ-O 2.87Å; K212-E216 WeakPolarHBondContact CE-OE1 2.89Å; K212-E216 WeakPolarHBondContact O-CG 3.3Å; K212-E216 PolarHBondContact O-N 3.45Å; S213-E216 PolarHBondContact O-N 2.95Å; I214-E216 VanDerWaalsContact C-N 3.27Å; I214-E216 PolarHBondContact O-N 3.09Å
217	A	97	Very high	96.6	Very high	3 Å²	3	44 Å²	44	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-87.5	-10	-178	0	0	0	0	0	114.5	I169 I182 S213 I214 D215 D219 S220 T223	I169-A217 HydrophobicContact CD1-CB 3.81Å; I182-A217 HydrophobicContact CD1-CB 4Å; S213-A217 PolarHBondContact O-N 2.88Å; S213-A217 VanDerWaalsContact O-N 3.17Å; I214-A217 PolarHBondContact O-N 3.24Å; D215-A217 PolarHBondContact O-N 2.81Å; A217-D219 PolarHBondContact O-N 3Å; A217-S220 WeakPolarHBondContact O-CB 3.39Å; A217-S220 PolarHBondContact O-N 3.17Å; A217-S220 PolarHBondContact O-OG 3.05Å; A217-T223 HydrophobicContact CB-CG2 4.07Å
218	K	95.2	Very high	96.8	Very high	144 Å²	144	41.3 Å²	41.3	63%	0.626	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-31.5	-172.3	-78.7	174	170.1	162.7	0	115.2	I214 D215 S220	I214-K218 PolarHBondContact O-N 2.95Å; D215-K218 PolarHBondContact O-N 2.67Å; D215-K218 VanDerWaalsContact OD1-CE 3.25Å; D215-K218 WeakPolarHBondContact OD1-CE 3.15Å; D215-K218 IonicContact OD1-NZ 3.07Å; D215-K218 PolarHBondContact OD1-NZ 3.22Å; K218-S220 VanDerWaalsContact C-N 3.26Å; K218-S220 PolarHBondContact O-N 2.83Å
219	D	93.1	Very high	96.9	Very high	133 Å²	133	37.3 Å²	37.3	71%	0.711	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	6.7	-177.1	-44.7	-31.2	0	0	0	113	A217	A217-D219 PolarHBondContact O-N 3Å
220	S	96.5	Very high	96.8	Very high	20 Å²	20	35.7 Å²	35.7	14%	0.14	18%	0.181	C	C	.	.			trans	-89.2	143.3	-176.2	-46.6	0	0	0	0	111.6	Q178 S180 A217 K218 Q222	Q178-S220 PolarHBondContact NE2-OG 2.95Å; Q178-S220 CarbonylContact O-C 3.51Å; Q178-S220 WeakPolarHBondContact O-CA 3.37Å; Q178-S220 WeakPolarHBondContact O-CB 3.46Å; S180-S220 PolarHBondContact OG-OG 2.93Å; A217-S220 WeakPolarHBondContact O-CB 3.39Å; A217-S220 PolarHBondContact O-N 3.17Å; A217-S220 PolarHBondContact O-OG 3.05Å; K218-S220 VanDerWaalsContact C-N 3.26Å; K218-S220 PolarHBondContact O-N 2.83Å; S220-Q222 VanDerWaalsContact C-N 3.33Å; S220-Q222 PolarHBondContact O-N 3.03Å
221	N	95.5	Very high	96.7	Very high	75 Å²	75	36.9 Å²	36.9	40%	0.401	19%	0.188	S	C	.	.	S	Bend	trans	-62.7	-39.7	173.4	-65.6	87.7	0	0	0	112	G177 Q178 Y179	G177-N221 WeakPolarHBondContact CA-OD1 3.37Å; Q178-N221 PolarHBondContact N-OD1 2.84Å; Q178-N221 PolarHBondContact O-N 2.94Å; Q178-N221 PolarHBondContact O-OD1 2.89Å; Y179-N221 HydrophobicContact CD1-CB 4.27Å; Y179-N221 HydrophobicContact CE1-CB 3.8Å
222	Q	96.4	Very high	96.4	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.5	170	-59.7	-71.2	12.2	0	0	110.8	Y179 S180 S220 F224 D297 V299 K334	Y179-Q222 WeakPolarHBondContact CA-O 3.41Å; Y179-Q222 HydrophobicContact CD1-CB 3.95Å; Y179-Q222 HydrophobicContact CD1-CG 4.28Å; Y179-Q222 HydrophobicContact CE1-CB 4.49Å; Y179-Q222 HydrophobicContact CE1-CG 4.33Å; S180-Q222 PolarHBondContact N-O 2.81Å; S220-Q222 VanDerWaalsContact C-N 3.33Å; S220-Q222 PolarHBondContact O-N 3.03Å; Q222-F224 HydrophobicContact CB-CE2 4.02Å; Q222-F224 HydrophobicContact CB-CZ 4.32Å; Q222-D297 PolarHBondContact NE2-O 2.86Å; Q222-V299 HydrophobicContact CG-CG2 4.35Å; Q222-K334 VanDerWaalsContact CD-O 3.31Å; Q222-K334 PolarHBondContact NE2-O 3.01Å; Q222-K334 PolarHBondContact OE1-O 2.96Å; Q222-K334 VanDerWaalsContact OE1-O 3.09Å
223	T	98.2	Very high	96.3	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.049	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.5	173.1	-59.1	0	0	0	0	109.8	S180 I182 A217 S248 A249 F250	S180-T223 CarbonylContact O-C 3.56Å; S180-T223 VanDerWaalsContact O-CA 3.31Å; S180-T223 WeakPolarHBondContact O-CA 3.24Å; I182-T223 HydrophobicContact CD1-CG2 3.74Å; I182-T223 HydrophobicContact CG1-CG2 4.2Å; A217-T223 HydrophobicContact CB-CG2 4.07Å; T223-S248 WeakPolarHBondContact CB-O 3.19Å; T223-A249 HydrophobicContact CG2-CB 4.09Å; T223-A249 CarbonylContact O-C 3.59Å; T223-A249 WeakPolarHBondContact O-CA 3.43Å; T223-A249 WeakPolarHBondContact O-CB 3.09Å; T223-F250 PolarHBondContact O-N 2.84Å
224	F	98.7	Very high	96.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130.4	174.1	-60.3	-82.6	0	0	0	109	F54 S180 F181 I182 Q222 F250 A251 L253 V292 V294 V299	F54-F224 HydrophobicContact CE1-CD1 4.46Å; F54-F224 HydrophobicContact CE1-CD2 4.13Å; F54-F224 HydrophobicContact CE1-CE1 4.25Å; F54-F224 AromaticContact CE1-CE2 3.92Å; F54-F224 HydrophobicContact CE1-CE2 3.92Å; F54-F224 HydrophobicContact CE1-CG 4.39Å; F54-F224 AromaticContact CE1-CZ 3.99Å; F54-F224 HydrophobicContact CE1-CZ 3.99Å; F54-F224 AromaticContact CZ-CD1 3.88Å; F54-F224 HydrophobicContact CZ-CD1 3.88Å; F54-F224 HydrophobicContact CZ-CD2 4.16Å; F54-F224 AromaticContact CZ-CE1 4Å; F54-F224 HydrophobicContact CZ-CE1 4Å; F54-F224 HydrophobicContact CZ-CE2 4.27Å; F54-F224 AromaticContact CZ-CG 3.96Å; F54-F224 HydrophobicContact CZ-CG 3.96Å; F54-F224 HydrophobicContact CZ-CZ 4.2Å; S180-F224 PolarHBondContact O-N 3.4Å; F181-F224 CarbonylContact C-O 3.49Å; F181-F224 WeakPolarHBondContact CA-O 3.35Å; F181-F224 HydrophobicContact CD1-CB 4Å; F181-F224 HydrophobicContact CD1-CD2 4.24Å; F181-F224 HydrophobicContact CD1-CG 4.48Å; F181-F224 HydrophobicContact CE1-CB 4.19Å; F181-F224 AromaticContact CE1-CD2 3.71Å; F181-F224 HydrophobicContact CE1-CD2 3.71Å; F181-F224 HydrophobicContact CE1-CE2 4.49Å; F181-F224 HydrophobicContact CE1-CG 4.18Å; F181-F224 AromaticContact CZ-CD2 3.93Å; F181-F224 HydrophobicContact CZ-CD2 3.93Å; F181-F224 HydrophobicContact CZ-CE2 4.4Å; I182-F224 PolarHBondContact N-O 2.84Å; Q222-F224 HydrophobicContact CB-CE2 4.02Å; Q222-F224 HydrophobicContact CB-CZ 4.32Å; F224-F250 HydrophobicContact CE1-CB 4.36Å; F224-F250 HydrophobicContact CE1-CD1 4.04Å; F224-A251 HydrophobicContact CD1-CB 4.35Å; F224-L253 HydrophobicContact CB-CD1 4.01Å; F224-L253 HydrophobicContact CD1-CD1 4.19Å; F224-V292 HydrophobicContact CE1-CG1 4.46Å; F224-V294 HydrophobicContact CE2-CG2 3.95Å; F224-V294 HydrophobicContact CZ-CG2 3.74Å; F224-V299 HydrophobicContact CE1-CG1 3.9Å; F224-V299 HydrophobicContact CE1-CG2 4.39Å; F224-V299 HydrophobicContact CZ-CG1 4.02Å; F224-V299 HydrophobicContact CZ-CG2 3.99Å
225	V	98.7	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.6	172.9	-177.8	0	0	0	0	107.8	I182 I184 F210 A249 A251 Y252 L253	I182-V225 HydrophobicContact CB-CG2 4.31Å; I182-V225 CarbonylContact O-C 3.49Å; I182-V225 VanDerWaalsContact O-CA 3.3Å; I182-V225 WeakPolarHBondContact O-CA 3.28Å; I184-V225 HydrophobicContact CG2-CG1 4.1Å; F210-V225 HydrophobicContact CE2-CG1 3.78Å; F210-V225 HydrophobicContact CE2-CG2 4.03Å; F210-V225 HydrophobicContact CZ-CG1 3.93Å; F210-V225 HydrophobicContact CZ-CG2 3.97Å; V225-A249 HydrophobicContact CG2-CB 3.63Å; V225-A251 PolarHBondContact N-O 2.92Å; V225-Y252 HydrophobicContact CB-CD2 3.96Å; V225-Y252 HydrophobicContact CG1-CD2 3.69Å; V225-Y252 HydrophobicContact CG1-CE2 4.03Å; V225-Y252 CarbonylContact O-C 3.45Å; V225-Y252 VanDerWaalsContact O-CA 3.26Å; V225-Y252 WeakPolarHBondContact O-CA 3.46Å; V225-L253 WeakPolarHBondContact O-CD1 3.27Å; V225-L253 PolarHBondContact O-N 2.68Å
226	F	98.6	Very high	95.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.1	173.7	65.4	-87	0	0	0	111.9	I91 F133 V135 F181 I182 S183 I184 L253	I91-F226 HydrophobicContact CD1-CB 4.47Å; I91-F226 HydrophobicContact CD1-CD1 3.86Å; I91-F226 HydrophobicContact CD1-CE1 4.25Å; I91-F226 HydrophobicContact CD1-CG 4.17Å; I91-F226 HydrophobicContact CG1-CD1 4.39Å; I91-F226 HydrophobicContact CG1-CE1 4.44Å; I91-F226 HydrophobicContact CG2-CB 3.88Å; I91-F226 HydrophobicContact CG2-CD1 4.24Å; I91-F226 HydrophobicContact CG2-CD2 3.39Å; I91-F226 HydrophobicContact CG2-CE2 3.86Å; I91-F226 HydrophobicContact CG2-CG 3.58Å; I91-F226 HydrophobicContact CG2-CZ 4.45Å; F133-F226 HydrophobicContact CB-CE2 4.25Å; F133-F226 HydrophobicContact CB-CZ 3.81Å; F133-F226 HydrophobicContact CG-CZ 4.46Å; V135-F226 HydrophobicContact CG1-CD2 4.25Å; V135-F226 HydrophobicContact CG1-CE2 4.5Å; F181-F226 HydrophobicContact CB-CE1 4.21Å; I182-F226 WeakPolarHBondContact O-CD1 3.24Å; I182-F226 PolarHBondContact O-N 3.04Å; S183-F226 CarbonylContact C-O 3.56Å; S183-F226 WeakPolarHBondContact CA-O 3.25Å; S183-F226 VanDerWaalsContact CB-CE2 3.46Å; S183-F226 VanDerWaalsContact CB-CZ 3.4Å; I184-F226 PolarHBondContact N-O 3.09Å; F226-L253 VanDerWaalsContact CA-O 3.23Å; F226-L253 WeakPolarHBondContact CA-O 3.32Å; F226-L253 HydrophobicContact CB-CB 4.1Å
227	G	98.1	Very high	93.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	176.4	-177.6	0	0	0	0	0	108.7	S93 I184 L253 C254	S93-G227 WeakPolarHBondContact CB-O 3.2Å; I184-G227 WeakPolarHBondContact O-CA 3.49Å; G227-L253 PolarHBondContact N-O 2.84Å; G227-L253 VanDerWaalsContact N-O 3.09Å; G227-L253 VanDerWaalsContact O-O 3.14Å; G227-C254 WeakPolarHBondContact O-CA 3.25Å; G227-C254 WeakPolarHBondContact O-CB 3.49Å
228	H	98.1	Very high	91.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.185	C	C	.	.	S	Bend	trans	-84.3	-49	-176.6	-177.8	66.1	0	0	0	113.2	D59 S93 D95 R136 G137 N138 P230 G255 H256	D59-H228 IonicContact OD1-CE1 3.02Å; D59-H228 PolarHBondContact OD1-CE1 2.9Å; S93-H228 VanDerWaalsContact O-CA 3.24Å; S93-H228 WeakPolarHBondContact O-CA 3.35Å; S93-H228 WeakPolarHBondContact O-CB 3.34Å; S93-H228 PolarHBondContact O-ND1 2.9Å; D95-H228 IonicContact OD1-CE1 3.95Å; D95-H228 IonicContact OD1-NE2 3.69Å; D95-H228 PolarHBondContact OD1-NE2 3.02Å; D95-H228 IonicContact OD2-CE1 3.97Å; D95-H228 IonicContact OD2-NE2 2.72Å; D95-H228 PolarHBondContact OD2-NE2 2.8Å; R136-H228 WeakPolarHBondContact O-CB 3.41Å; G137-H228 WeakPolarHBondContact CA-CD2 3.31Å; N138-H228 PolarHBondContact OD1-CD2 3.44Å; N138-H228 PolarHBondContact OD1-NE2 2.75Å; H228-P230 WeakPolarHBondContact O-CD 3.48Å; H228-G255 CarbonylContact O-C 3.6Å; H228-G255 PolarHBondContact O-N 2.79Å; H228-G255 VanDerWaalsContact O-N 3.09Å; H228-H256 AromaticContact CD2-ND1 3.6Å; H228-H256 WeakPolarHBondContact NE2-CB 3.42Å; H228-H256 AromaticContact NE2-CG 3.63Å; H228-H256 AromaticContact NE2-ND1 3.14Å; H228-H256 PolarHBondContact NE2-ND1 2.66Å; H228-H256 VanDerWaalsContact NE2-ND1 3.14Å; H228-H256 WeakPolarHBondContact O-CB 3.3Å
229	Y	96.1	Very high	89.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	-81.9	125.6	-171.2	-55.4	-96.2	0	0	0	111.2	N138 L186 S187 G200 Y252 H256	N138-Y229 VanDerWaalsContact CA-OH 3.31Å; N138-Y229 WeakPolarHBondContact CA-OH 3.36Å; N138-Y229 HydrophobicContact CB-CE1 4.13Å; N138-Y229 WeakPolarHBondContact CB-OH 3.36Å; N138-Y229 PolarHBondContact N-OH 3.34Å; L186-Y229 HydrophobicContact CB-CD2 3.7Å; L186-Y229 HydrophobicContact CB-CE2 4.09Å; S187-Y229 PolarHBondContact OG-OH 2.8Å; G200-Y229 VanDerWaalsContact N-CD1 3.35Å; Y229-Y252 VanDerWaalsContact O-CE1 3.25Å; Y229-Y252 WeakPolarHBondContact O-CE1 3.45Å; Y229-Y252 PolarHBondContact O-OH 3.02Å; Y229-H256 AromaticContact CD1-CE1 3.97Å
230	P	94.7	Very high	89.2	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.153	C	C	.	.			trans	-54.3	146.6	163	-24.8	34.1	0	0	0	110	H228 S232 T233 V234 G255 L257 E277 E279	H228-P230 WeakPolarHBondContact O-CD 3.48Å; P230-S232 PolarHBondContact O-N 3.23Å; P230-T233 PolarHBondContact O-N 2.94Å; P230-T233 PolarHBondContact O-OG1 3.35Å; P230-V234 WeakPolarHBondContact O-CG2 3.28Å; P230-V234 PolarHBondContact O-N 2.99Å; P230-G255 VanDerWaalsContact CD-O 3.29Å; P230-G255 WeakPolarHBondContact CD-O 3.44Å; P230-G255 VanDerWaalsContact CG-O 3.3Å; P230-G255 WeakPolarHBondContact CG-O 3.23Å; P230-L257 HydrophobicContact CB-CD1 4.49Å; P230-L257 HydrophobicContact CG-CD1 3.95Å; P230-L257 HydrophobicContact CG-CG 3.99Å; P230-E277 VanDerWaalsContact CA-OE1 3.27Å; P230-E277 WeakPolarHBondContact CA-OE1 3.42Å; P230-E277 WeakPolarHBondContact CB-OE1 3.25Å; P230-E279 HydrophobicContact CG-CG 3.97Å
231	T	93.4	Very high	89	Confident	25 Å²	25	25 Å²	25	15%	0.153	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-58.7	-22.9	-178.3	64.8	0	0	0	0	112.6	T233 V234 L241 I245 Y252 Q271 Y275 E277	T231-T233 VanDerWaalsContact C-N 3.33Å; T231-T233 PolarHBondContact O-N 3.31Å; T231-V234 PolarHBondContact O-N 3.12Å; T231-L241 HydrophobicContact CG2-CD2 4.07Å; T231-L241 HydrophobicContact CG2-CG 4.36Å; T231-I245 HydrophobicContact CG2-CD1 4.26Å; T231-Y252 HydrophobicContact CG2-CD1 3.97Å; T231-Y252 HydrophobicContact CG2-CE1 4.05Å; T231-Q271 PolarHBondContact OG1-NE2 2.71Å; T231-Y275 WeakPolarHBondContact CG2-OH 3.35Å; T231-E277 WeakPolarHBondContact CG2-OE2 3.43Å; T231-E277 PolarHBondContact N-OE1 3.47Å; T231-E277 PolarHBondContact OG1-OE1 3.17Å; T231-E277 PolarHBondContact OG1-OE2 3.45Å
232	S	91.2	Very high	88.8	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.007	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-65.5	-28.4	172.5	63.7	0	0	0	0	114.8	P230 L440 N443 L445	P230-S232 PolarHBondContact O-N 3.23Å; S232-L440 WeakPolarHBondContact CB-O 3.41Å; S232-L440 PolarHBondContact OG-O 2.86Å; S232-N443 WeakPolarHBondContact CB-O 3.06Å; S232-L445 PolarHBondContact O-N 3.34Å
233	T	93.7	Very high	88.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-103	16.4	176.1	66.1	0	0	0	0	112.7	F198 F199 G200 P230 T231 L257	F198-T233 HydrophobicContact CD1-CG2 4.39Å; F198-T233 HydrophobicContact CE1-CG2 3.72Å; F198-T233 HydrophobicContact CZ-CG2 4.47Å; F199-T233 CarbonylContact C-O 3.5Å; F199-T233 VanDerWaalsContact CA-O 3.28Å; F199-T233 WeakPolarHBondContact CA-O 3.43Å; F199-T233 WeakPolarHBondContact CD1-O 3.31Å; G200-T233 PolarHBondContact N-O 3.06Å; P230-T233 PolarHBondContact O-N 2.94Å; P230-T233 PolarHBondContact O-OG1 3.35Å; T231-T233 VanDerWaalsContact C-N 3.33Å; T231-T233 PolarHBondContact O-N 3.31Å; T233-L257 HydrophobicContact CG2-CD2 4.27Å
234	V	93.8	Very high	88.4	Confident	9 Å²	9	24.5 Å²	24.5	6%	0.055	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	132	173.9	178.9	0	0	0	0	110.4	L186 F202 P230 T231 L241	L186-V234 HydrophobicContact CD1-CG1 4.26Å; L186-V234 HydrophobicContact CD1-CG2 3.55Å; F202-V234 HydrophobicContact CB-CG1 3.74Å; P230-V234 WeakPolarHBondContact O-CG2 3.28Å; P230-V234 PolarHBondContact O-N 2.99Å; T231-V234 PolarHBondContact O-N 3.12Å; V234-L241 HydrophobicContact CB-CD2 4.39Å; V234-L241 HydrophobicContact CG1-CD2 4.04Å; V234-L241 HydrophobicContact CG2-CD2 4.15Å
235	V	91.8	Very high	88.3	Confident	11 Å²	11	24.5 Å²	24.5	7%	0.067	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.2	166.5	-173.7	0	0	0	0	109.7	F199 G200 F202 P539 R541	F199-V235 HydrophobicContact CB-CG2 4.2Å; F199-V235 HydrophobicContact CD1-CG2 4Å; F199-V235 HydrophobicContact CG-CG2 4.43Å; G200-V235 PolarHBondContact O-N 2.68Å; F202-V235 PolarHBondContact N-O 3.1Å; V235-P539 HydrophobicContact CB-CB 4.11Å; V235-P539 HydrophobicContact CB-CG 4.07Å; V235-P539 HydrophobicContact CG1-CB 3.8Å; V235-P539 HydrophobicContact CG1-CG 4.13Å; V235-P539 HydrophobicContact CG2-CB 4.39Å; V235-P539 WeakPolarHBondContact CG2-O 3.16Å; V235-R541 HydrophobicContact CG2-CG 3.56Å
236	S	84.3	Confident	88	Confident	42 Å²	42	24.8 Å²	24.8	29%	0.294	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129	172.8	-177.9	0	0	0	0	110.2	S239	S236-S239 VanDerWaalsContact CB-O 3.25Å; S236-S239 WeakPolarHBondContact CB-O 3.48Å; S236-S239 PolarHBondContact OG-N 2.96Å; S236-S239 PolarHBondContact OG-O 3.13Å
237	S	61.7	Low	87.8	Confident	88 Å²	88	31.3 Å²	31.3	62%	0.615	19%	0.186	S	C	*	.	S	Bend	trans	-79.3	-33.4	-178.3	56	0	0	0	0	112.8
238	D	55.3	Low	87.6	Confident	132 Å²	132	32.5 Å²	32.5	71%	0.706	20%	0.195	S	C	*	.	S	Bend	trans	-146.9	7.3	-164.2	-57.5	-66.8	0	0	0	115.3
239	S	58.7	Low	87.6	Confident	28 Å²	28	32.5 Å²	32.5	20%	0.196	20%	0.195	C	C	.	.	S	Bend	trans	-160.1	132.7	179.4	38.6	0	0	0	0	113.3	K207 S236 L241	K207-S239 VanDerWaalsContact CD-OG 3.28Å; K207-S239 WeakPolarHBondContact CD-OG 3.18Å; K207-S239 VanDerWaalsContact CE-OG 3.25Å; K207-S239 WeakPolarHBondContact CE-OG 3.42Å; K207-S239 PolarHBondContact NZ-OG 3.41Å; S236-S239 VanDerWaalsContact CB-O 3.25Å; S236-S239 WeakPolarHBondContact CB-O 3.48Å; S236-S239 PolarHBondContact OG-N 2.96Å; S236-S239 PolarHBondContact OG-O 3.13Å; S239-L241 PolarHBondContact O-N 2.96Å
240	N	79.3	Confident	87.6	Confident	88 Å²	88	32.6 Å²	32.6	47%	0.471	20%	0.195	S	C	.	.			trans	-72.4	103.7	176.2	-164.5	-19.4	0	0	0	109.3	G242 S243 M244 Q273	N240-G242 PolarHBondContact O-N 3.33Å; N240-G242 VanDerWaalsContact O-N 3.14Å; N240-G242 PolarHBondContact OD1-N 3.23Å; N240-S243 WeakPolarHBondContact O-CA 3.36Å; N240-S243 WeakPolarHBondContact O-CB 3.47Å; N240-S243 PolarHBondContact O-N 2.7Å; N240-M244 PolarHBondContact O-N 2.81Å; N240-Q273 PolarHBondContact ND2-NE2 2.86Å
241	L	91.8	Very high	87.7	Confident	5 Å²	5	32.6 Å²	32.6	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-45.2	-41	170.9	170.1	61.9	0	0	0	110.4	I184 L186 F202 F210 T231 V234 S239 S243 M244 I245	I184-L241 HydrophobicContact CD1-CD1 3.86Å; L186-L241 HydrophobicContact CD1-CD2 3.98Å; F202-L241 HydrophobicContact CD1-CB 3.99Å; F202-L241 HydrophobicContact CD2-CD1 4.2Å; F202-L241 HydrophobicContact CE1-CB 4.22Å; F202-L241 HydrophobicContact CE1-CD1 4.4Å; F202-L241 HydrophobicContact CE2-CD1 4Å; F202-L241 HydrophobicContact CG-CB 4.31Å; F202-L241 HydrophobicContact CG-CD1 4.49Å; F202-L241 HydrophobicContact CZ-CD1 4.1Å; F210-L241 HydrophobicContact CD1-CD1 4.21Å; F210-L241 HydrophobicContact CE1-CD1 3.81Å; F210-L241 HydrophobicContact CZ-CD1 4.5Å; T231-L241 HydrophobicContact CG2-CD2 4.07Å; T231-L241 HydrophobicContact CG2-CG 4.36Å; V234-L241 HydrophobicContact CB-CD2 4.39Å; V234-L241 HydrophobicContact CG1-CD2 4.04Å; V234-L241 HydrophobicContact CG2-CD2 4.15Å; S239-L241 PolarHBondContact O-N 2.96Å; L241-S243 VanDerWaalsContact C-N 3.31Å; L241-S243 PolarHBondContact O-N 3.22Å; L241-M244 PolarHBondContact O-N 2.93Å; L241-I245 HydrophobicContact CD1-CD1 3.84Å; L241-I245 HydrophobicContact CD1-CG1 4.13Å; L241-I245 HydrophobicContact CD2-CD1 4.46Å; L241-I245 HydrophobicContact CG-CD1 3.77Å; L241-I245 HydrophobicContact CG-CG1 4.45Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 2.7Å
242	G	91.7	Very high	87.9	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-61.7	-32.5	176.6	0	0	0	0	0	113.9	N240 G246 Q273 Y275	N240-G242 PolarHBondContact O-N 3.33Å; N240-G242 VanDerWaalsContact O-N 3.14Å; N240-G242 PolarHBondContact OD1-N 3.23Å; G242-G246 WeakPolarHBondContact O-CA 3.41Å; G242-G246 PolarHBondContact O-N 3.25Å; G242-Q273 WeakPolarHBondContact O-CB 3.25Å; G242-Y275 WeakPolarHBondContact CA-OH 3.09Å; G242-Y275 WeakPolarHBondContact O-CE1 3.5Å
243	S	92	Very high	88.3	Confident	48 Å²	48	31.3 Å²	31.3	34%	0.336	19%	0.188	S	C	.	.	H	α-helix	trans	-68.3	-44.3	173.2	-65.9	0	0	0	0	111.4	N240 L241 I245 G246 D247	N240-S243 WeakPolarHBondContact O-CA 3.36Å; N240-S243 WeakPolarHBondContact O-CB 3.47Å; N240-S243 PolarHBondContact O-N 2.7Å; L241-S243 VanDerWaalsContact C-N 3.31Å; L241-S243 PolarHBondContact O-N 3.22Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.38Å; S243-G246 CarbonylContact O-C 3.54Å; S243-G246 PolarHBondContact O-N 3.05Å; S243-G246 VanDerWaalsContact O-N 3.16Å; S243-D247 VanDerWaalsContact O-CG 3.25Å; S243-D247 PolarHBondContact O-N 3.47Å
244	M	94.8	Very high	88.5	Confident	31 Å²	31	31.3 Å²	31.3	15%	0.153	19%	0.188	C	C	.	.	H	α-helix	trans	-63	-39.4	178.5	-67.8	179.8	67.5	0	0	112.2	F202 K207 F210 S211 I214 N240 L241 S248	F202-M244 HydrophobicContact CE1-SD 3.86Å; F202-M244 HydrophobicContact CZ-CE 4.35Å; F202-M244 HydrophobicContact CZ-SD 3.65Å; K207-M244 HydrophobicContact CG-CE 4.4Å; K207-M244 HydrophobicContact CG-SD 4.11Å; F210-M244 HydrophobicContact CD1-CB 4.33Å; F210-M244 HydrophobicContact CD1-CE 3.65Å; F210-M244 HydrophobicContact CD1-SD 4.31Å; F210-M244 HydrophobicContact CE1-CB 3.87Å; F210-M244 HydrophobicContact CE1-CE 4.29Å; F210-M244 HydrophobicContact CG-CE 4.48Å; S211-M244 WeakPolarHBondContact OG-CE 3.36Å; I214-M244 HydrophobicContact CD1-CB 3.94Å; I214-M244 HydrophobicContact CD1-CE 4.1Å; I214-M244 WeakPolarHBondContact CD1-O 3.34Å; N240-M244 PolarHBondContact O-N 2.81Å; L241-M244 PolarHBondContact O-N 2.93Å; M244-S248 WeakPolarHBondContact O-CB 3.24Å; M244-S248 PolarHBondContact O-N 3.28Å; M244-S248 PolarHBondContact O-OG 3.02Å
245	I	95.7	Very high	88.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-44.2	173.1	-60.8	168	0	0	0	110.3	F210 T231 L241 S243 D247 S248 A249 Y252 Y275	F210-I245 HydrophobicContact CE1-CG1 4.16Å; F210-I245 HydrophobicContact CZ-CG1 3.94Å; T231-I245 HydrophobicContact CG2-CD1 4.26Å; L241-I245 HydrophobicContact CD1-CD1 3.84Å; L241-I245 HydrophobicContact CD1-CG1 4.13Å; L241-I245 HydrophobicContact CD2-CD1 4.46Å; L241-I245 HydrophobicContact CG-CD1 3.77Å; L241-I245 HydrophobicContact CG-CG1 4.45Å; L241-I245 WeakPolarHBondContact O-CG1 3.49Å; L241-I245 PolarHBondContact O-N 2.7Å; S243-I245 VanDerWaalsContact C-N 3.33Å; S243-I245 PolarHBondContact O-N 3.38Å; I245-D247 PolarHBondContact O-N 3.09Å; I245-S248 PolarHBondContact O-N 2.98Å; I245-S248 VanDerWaalsContact O-N 3.13Å; I245-A249 HydrophobicContact CG2-CB 4.08Å; I245-A249 PolarHBondContact O-N 3.22Å; I245-Y252 HydrophobicContact CD1-CD1 4.38Å; I245-Y252 HydrophobicContact CD1-CD2 4.2Å; I245-Y252 HydrophobicContact CD1-CG 3.99Å; I245-Y275 HydrophobicContact CB-CD1 4.2Å; I245-Y275 HydrophobicContact CB-CD2 4.28Å; I245-Y275 HydrophobicContact CB-CE1 4.19Å; I245-Y275 HydrophobicContact CB-CE2 4.28Å; I245-Y275 HydrophobicContact CB-CG 4.24Å; I245-Y275 HydrophobicContact CD1-CE2 4.38Å; I245-Y275 HydrophobicContact CG2-CD1 3.98Å; I245-Y275 HydrophobicContact CG2-CD2 3.37Å; I245-Y275 HydrophobicContact CG2-CE1 4.28Å; I245-Y275 HydrophobicContact CG2-CE2 3.72Å; I245-Y275 HydrophobicContact CG2-CG 3.51Å
246	G	94.3	Very high	88.8	Confident	6 Å²	6	30.9 Å²	30.9	6%	0.062	18%	0.184	C	C	.	.	H	α-helix	trans	-58.1	-32.2	177.7	0	0	0	0	0	113.8	G242 S243 Q273 K334	G242-G246 WeakPolarHBondContact O-CA 3.41Å; G242-G246 PolarHBondContact O-N 3.25Å; S243-G246 CarbonylContact O-C 3.54Å; S243-G246 PolarHBondContact O-N 3.05Å; S243-G246 VanDerWaalsContact O-N 3.16Å; G246-Q273 VanDerWaalsContact CA-O 3.32Å; G246-Q273 WeakPolarHBondContact CA-O 3.37Å; G246-K334 VanDerWaalsContact O-CE 3.26Å; G246-K334 WeakPolarHBondContact O-CE 3.43Å; G246-K334 PolarHBondContact O-NZ 3.23Å
247	D	92.8	Very high	89.2	Confident	141 Å²	141	29.6 Å²	29.6	75%	0.754	17%	0.174	S	C	*	.	H	α-helix	trans	-84	-22.7	178.3	-65.6	-24.6	0	0	0	113	S243 I245	S243-D247 VanDerWaalsContact O-CG 3.25Å; S243-D247 PolarHBondContact O-N 3.47Å; I245-D247 PolarHBondContact O-N 3.09Å
248	S	94.4	Very high	90.6	Very high	26 Å²	26	26.9 Å²	26.9	18%	0.182	15%	0.151	C	C	.	.	H	α-helix	trans	-117.1	-27.8	-167.9	72.4	0	0	0	0	116.2	I214 T223 M244 I245	I214-S248 WeakPolarHBondContact CD1-OG 3.29Å; T223-S248 WeakPolarHBondContact CB-O 3.19Å; M244-S248 WeakPolarHBondContact O-CB 3.24Å; M244-S248 PolarHBondContact O-N 3.28Å; M244-S248 PolarHBondContact O-OG 3.02Å; I245-S248 PolarHBondContact O-N 2.98Å; I245-S248 VanDerWaalsContact O-N 3.13Å
249	A	97.3	Very high	92	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	12%	0.119	C	C	.	.			trans	-131.5	145.6	-162.3	0	0	0	0	0	114.1	T223 V225 I245 K334	T223-A249 HydrophobicContact CG2-CB 4.09Å; T223-A249 CarbonylContact O-C 3.59Å; T223-A249 WeakPolarHBondContact O-CA 3.43Å; T223-A249 WeakPolarHBondContact O-CB 3.09Å; V225-A249 HydrophobicContact CG2-CB 3.63Å; I245-A249 HydrophobicContact CG2-CB 4.08Å; I245-A249 PolarHBondContact O-N 3.22Å; A249-K334 WeakPolarHBondContact O-CD 3.45Å; A249-K334 PolarHBondContact O-NZ 3.36Å
250	F	97	Very high	93.2	Very high	1 Å²	1	22 Å²	22	0%	0.004	12%	0.123	C	C	.	.	S	Bend	trans	-66.4	-47.3	175.2	-179.3	-85.5	0	0	0	111.3	T223 F224 W276 W278 V299 L331 K334 E335	T223-F250 PolarHBondContact O-N 2.84Å; F224-F250 HydrophobicContact CE1-CB 4.36Å; F224-F250 HydrophobicContact CE1-CD1 4.04Å; F250-W276 AromaticContact CE1-CD1 3.8Å; F250-W276 AromaticContact CZ-CD1 3.84Å; F250-W276 PolarHBondContact O-N 3.25Å; F250-W278 HydrophobicContact CD1-CH2 4.37Å; F250-W278 AromaticContact CE1-CH2 3.78Å; F250-W278 HydrophobicContact CE1-CH2 3.78Å; F250-W278 AromaticContact CE1-CZ2 3.91Å; F250-W278 HydrophobicContact CE1-CZ2 3.91Å; F250-V299 HydrophobicContact CD1-CB 4.05Å; F250-V299 HydrophobicContact CD1-CG1 3.96Å; F250-V299 HydrophobicContact CD1-CG2 4Å; F250-V299 HydrophobicContact CD2-CB 4.44Å; F250-V299 HydrophobicContact CD2-CG2 3.93Å; F250-V299 HydrophobicContact CE1-CB 3.6Å; F250-V299 HydrophobicContact CE1-CG1 3.64Å; F250-V299 HydrophobicContact CE1-CG2 4.03Å; F250-V299 HydrophobicContact CE2-CB 4Å; F250-V299 HydrophobicContact CE2-CG2 3.91Å; F250-V299 HydrophobicContact CG-CB 4.48Å; F250-V299 HydrophobicContact CG-CG2 3.99Å; F250-V299 HydrophobicContact CZ-CB 3.59Å; F250-V299 HydrophobicContact CZ-CG1 4.16Å; F250-V299 HydrophobicContact CZ-CG2 4Å; F250-L331 HydrophobicContact CD2-CB 4.42Å; F250-L331 HydrophobicContact CD2-CD2 4.01Å; F250-L331 HydrophobicContact CE2-CB 3.72Å; F250-L331 HydrophobicContact CE2-CD2 4.04Å; F250-L331 HydrophobicContact CE2-CG 4.45Å; F250-L331 HydrophobicContact CG-CD2 4.47Å; F250-L331 HydrophobicContact CZ-CB 4.17Å; F250-K334 HydrophobicContact CD2-CB 4.11Å; F250-E335 HydrophobicContact CE2-CB 4.33Å
251	A	97.3	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.8	-178.7	0	0	0	0	0	113.5	F224 V225 L253 W276 W278	F224-A251 HydrophobicContact CD1-CB 4.35Å; V225-A251 PolarHBondContact N-O 2.92Å; A251-L253 HydrophobicContact CB-CD1 4.43Å; A251-W276 CarbonylContact C-O 3.6Å; A251-W276 WeakPolarHBondContact CA-O 3.18Å; A251-W276 HydrophobicContact CB-CB 3.92Å; A251-W276 WeakPolarHBondContact CB-O 3.46Å; A251-W278 HydrophobicContact CB-CD2 4.12Å; A251-W278 HydrophobicContact CB-CE3 3.91Å; A251-W278 HydrophobicContact CB-CH2 4.29Å; A251-W278 HydrophobicContact CB-CZ2 4.48Å; A251-W278 HydrophobicContact CB-CZ3 4Å
252	Y	97.9	Very high	92.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.3	164.3	180	-129.6	0	0	0	109.5	I184 V225 Y229 T231 I245 C254 W276 E277 W278	I184-Y252 HydrophobicContact CG2-CE2 3.98Å; V225-Y252 HydrophobicContact CB-CD2 3.96Å; V225-Y252 HydrophobicContact CG1-CD2 3.69Å; V225-Y252 HydrophobicContact CG1-CE2 4.03Å; V225-Y252 CarbonylContact O-C 3.45Å; V225-Y252 VanDerWaalsContact O-CA 3.26Å; V225-Y252 WeakPolarHBondContact O-CA 3.46Å; Y229-Y252 VanDerWaalsContact O-CE1 3.25Å; Y229-Y252 WeakPolarHBondContact O-CE1 3.45Å; Y229-Y252 PolarHBondContact O-OH 3.02Å; T231-Y252 HydrophobicContact CG2-CD1 3.97Å; T231-Y252 HydrophobicContact CG2-CE1 4.05Å; I245-Y252 HydrophobicContact CD1-CD1 4.38Å; I245-Y252 HydrophobicContact CD1-CD2 4.2Å; I245-Y252 HydrophobicContact CD1-CG 3.99Å; Y252-C254 HydrophobicContact CD1-CB 4.37Å; Y252-C254 HydrophobicContact CE1-CB 3.79Å; Y252-W276 PolarHBondContact N-O 3.26Å; Y252-E277 HydrophobicContact CD1-CG 3.98Å; Y252-W278 PolarHBondContact O-N 2.52Å
253	L	98.3	Very high	91.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.5	-179.8	-60.8	90.2	0	0	0	109.6	F54 H56 F224 V225 F226 G227 A251 W278 V292	F54-L253 HydrophobicContact CE2-CD2 3.84Å; F54-L253 HydrophobicContact CZ-CD2 4.48Å; H56-L253 HydrophobicContact CB-CD2 3.9Å; F224-L253 HydrophobicContact CB-CD1 4.01Å; F224-L253 HydrophobicContact CD1-CD1 4.19Å; V225-L253 WeakPolarHBondContact O-CD1 3.27Å; V225-L253 PolarHBondContact O-N 2.68Å; F226-L253 VanDerWaalsContact CA-O 3.23Å; F226-L253 WeakPolarHBondContact CA-O 3.32Å; F226-L253 HydrophobicContact CB-CB 4.1Å; G227-L253 PolarHBondContact N-O 2.84Å; G227-L253 VanDerWaalsContact N-O 3.09Å; G227-L253 VanDerWaalsContact O-O 3.14Å; A251-L253 HydrophobicContact CB-CD1 4.43Å; L253-W278 HydrophobicContact CD2-CE3 4.48Å; L253-W278 HydrophobicContact CG-CE3 4.34Å; L253-V292 HydrophobicContact CD2-CG2 4.39Å
254	C	97.5	Very high	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	178.8	-176.8	63.2	0	0	0	0	113.4	H56 G227 Y252 W278 E279 L280	H56-C254 PolarHBondContact CE1-O 2.96Å; G227-C254 WeakPolarHBondContact O-CA 3.25Å; G227-C254 WeakPolarHBondContact O-CB 3.49Å; Y252-C254 HydrophobicContact CD1-CB 4.37Å; Y252-C254 HydrophobicContact CE1-CB 3.79Å; C254-W278 PolarHBondContact N-O 2.93Å; C254-W278 VanDerWaalsContact N-O 3.12Å; C254-E279 WeakPolarHBondContact O-CA 3.39Å; C254-L280 PolarHBondContact O-N 3.49Å
255	G	96.5	Very high	90.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.			trans	-136.8	-125.8	176.3	0	0	0	0	0	111	T58 D59 H228 P230 L257 E279	T58-G255 WeakPolarHBondContact OG1-CA 3.31Å; D59-G255 VanDerWaalsContact OD2-CA 3.29Å; D59-G255 WeakPolarHBondContact OD2-CA 3.42Å; H228-G255 CarbonylContact O-C 3.6Å; H228-G255 PolarHBondContact O-N 2.79Å; H228-G255 VanDerWaalsContact O-N 3.09Å; P230-G255 VanDerWaalsContact CD-O 3.29Å; P230-G255 WeakPolarHBondContact CD-O 3.44Å; P230-G255 VanDerWaalsContact CG-O 3.3Å; P230-G255 WeakPolarHBondContact CG-O 3.23Å; G255-L257 PolarHBondContact O-N 2.92Å; G255-E279 VanDerWaalsContact C-OE1 3.26Å; G255-E279 WeakPolarHBondContact O-CG 3.32Å
256	H	96.3	Very high	89.5	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.046	23%	0.228	C	C	.	.	S	Bend	trans	76.4	-37.5	171.5	-177.1	76.2	0	0	0	115.9	D59 N138 F198 H228 Y229 H258	D59-H256 VanDerWaalsContact OD1-CA 3.3Å; D59-H256 WeakPolarHBondContact OD1-CA 3.46Å; D59-H256 PolarHBondContact OD1-N 3.42Å; D59-H256 PolarHBondContact OD2-N 3.05Å; N138-H256 PolarHBondContact OD1-CE1 3.48Å; N138-H256 VanDerWaalsContact OD1-CE1 3.25Å; N138-H256 PolarHBondContact OD1-ND1 2.85Å; F198-H256 AromaticContact CD1-NE2 3.73Å; F198-H256 AromaticContact CD2-CE1 3.75Å; F198-H256 AromaticContact CD2-NE2 3.65Å; F198-H256 AromaticContact CE1-NE2 3.53Å; F198-H256 AromaticContact CE2-CE1 3.82Å; F198-H256 AromaticContact CE2-NE2 3.43Å; F198-H256 WeakPolarHBondContact CE2-NE2 3.37Å; F198-H256 AromaticContact CG-NE2 3.8Å; F198-H256 AromaticContact CZ-NE2 3.38Å; F198-H256 WeakPolarHBondContact CZ-NE2 3.48Å; F198-H256 PolarHBondContact O-CE1 3.36Å; F198-H256 PolarHBondContact O-NE2 3.2Å; F198-H256 VanDerWaalsContact O-NE2 3.08Å; H228-H256 AromaticContact CD2-ND1 3.6Å; H228-H256 WeakPolarHBondContact NE2-CB 3.42Å; H228-H256 AromaticContact NE2-CG 3.63Å; H228-H256 AromaticContact NE2-ND1 3.14Å; H228-H256 PolarHBondContact NE2-ND1 2.66Å; H228-H256 VanDerWaalsContact NE2-ND1 3.14Å; H228-H256 WeakPolarHBondContact O-CB 3.3Å; Y229-H256 AromaticContact CD1-CE1 3.97Å; H256-H258 PolarHBondContact O-CD2 2.8Å
257	L	93	Very high	89.1	Confident	15 Å²	15	45 Å²	45	8%	0.079	23%	0.226	C	C	.	.	S	Bend	trans	-92.9	-10.2	179.8	-62.8	-179.6	0	0	0	112.7	F198 P230 T233 G255 T259 L260 M267 E279 L440	F198-L257 HydrophobicContact CE1-CD2 4.5Å; F198-L257 HydrophobicContact CZ-CD2 3.86Å; P230-L257 HydrophobicContact CB-CD1 4.49Å; P230-L257 HydrophobicContact CG-CD1 3.95Å; P230-L257 HydrophobicContact CG-CG 3.99Å; T233-L257 HydrophobicContact CG2-CD2 4.27Å; G255-L257 PolarHBondContact O-N 2.92Å; L257-T259 PolarHBondContact O-N 3.29Å; L257-L260 PolarHBondContact O-N 3.22Å; L257-M267 HydrophobicContact CB-CE 3.7Å; L257-M267 HydrophobicContact CB-SD 4.19Å; L257-E279 HydrophobicContact CB-CG 4.42Å; L257-E279 PolarHBondContact N-OE1 3.17Å; L257-E279 VanDerWaalsContact N-OE1 3.15Å; L257-L440 HydrophobicContact CD1-CB 4.4Å
258	H	90.3	Very high	88.8	Confident	31 Å²	31	39.5 Å²	39.5	14%	0.144	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-100.6	178.1	-64.5	-143.9	0	0	0	109.8	D59 H61 H256 M267 E279 G281 D282	D59-H258 IonicContact OD1-CD2 3.74Å; D59-H258 PolarHBondContact OD1-CD2 2.75Å; D59-H258 VanDerWaalsContact OD1-CD2 3.32Å; D59-H258 IonicContact OD1-NE2 2.76Å; D59-H258 PolarHBondContact OD1-NE2 2.9Å; H61-H258 AromaticContact CD2-CE1 3.83Å; H61-H258 AromaticContact NE2-CE1 3.28Å; H61-H258 PolarHBondContact NE2-CE1 3.2Å; H61-H258 VanDerWaalsContact NE2-CE1 3.28Å; H61-H258 AromaticContact NE2-NE2 3.3Å; H61-H258 PolarHBondContact NE2-NE2 3.49Å; H256-H258 PolarHBondContact O-CD2 2.8Å; H258-M267 WeakPolarHBondContact O-CE 3.42Å; H258-E279 PolarHBondContact N-OE1 2.79Å; H258-G281 VanDerWaalsContact O-CA 3.31Å; H258-G281 WeakPolarHBondContact O-CA 3.48Å; H258-D282 HydrophobicContact CB-CB 3.66Å; H258-D282 WeakPolarHBondContact CB-OD1 3.33Å; H258-D282 VanDerWaalsContact CG-CB 3.45Å; H258-D282 VanDerWaalsContact ND1-CB 3.32Å; H258-D282 WeakPolarHBondContact ND1-CB 3.46Å; H258-D282 IonicContact ND1-OD1 3.26Å; H258-D282 IonicContact ND1-OD2 3.78Å
259	T	85.7	Confident	88.6	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.025	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.9	19.7	171.2	53.5	0	0	0	0	111	L257 F261 G262 L263 A264 N286 Y288	L257-T259 PolarHBondContact O-N 3.29Å; T259-F261 VanDerWaalsContact C-N 3.32Å; T259-F261 PolarHBondContact O-N 3.46Å; T259-G262 CarbonylContact O-C 3.54Å; T259-G262 WeakPolarHBondContact O-CA 3.41Å; T259-G262 PolarHBondContact O-N 3.31Å; T259-G262 PolarHBondContact OG1-N 3.03Å; T259-G262 VanDerWaalsContact OG1-N 3.14Å; T259-L263 PolarHBondContact O-N 3.22Å; T259-L263 VanDerWaalsContact O-N 3.08Å; T259-A264 WeakPolarHBondContact CA-O 3.38Å; T259-A264 PolarHBondContact O-N 2.86Å; T259-N286 PolarHBondContact OG1-ND2 3.39Å; T259-Y288 HydrophobicContact CG2-CD2 4.47Å; T259-Y288 HydrophobicContact CG2-CE2 4.15Å
260	L	83	Confident	88.2	Confident	53 Å²	53	39.8 Å²	39.8	28%	0.277	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	54.6	-167.5	-161.2	80.1	0	0	0	111.6	L257 G262 L263 L440	L257-L260 PolarHBondContact O-N 3.22Å; L260-G262 VanDerWaalsContact C-N 3.26Å; L260-G262 PolarHBondContact O-N 2.72Å; L260-L263 HydrophobicContact CB-CB 4.39Å; L260-L263 HydrophobicContact CD2-CB 4.3Å; L260-L263 HydrophobicContact CD2-CD1 4.03Å; L260-L263 HydrophobicContact CG-CD1 4.43Å; L260-L263 WeakPolarHBondContact O-CB 3.41Å; L260-L263 WeakPolarHBondContact O-CG 3.47Å; L260-L263 PolarHBondContact O-N 3.35Å; L260-L440 HydrophobicContact CB-CD1 4.33Å; L260-L440 HydrophobicContact CD2-CD1 3.82Å; L260-L440 HydrophobicContact CD2-CD2 4.33Å; L260-L440 HydrophobicContact CG-CD1 4.48Å
261	F	76.9	Confident	87.9	Confident	203 Å²	203	40.1 Å²	40.1	89%	0.89	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	36.8	-174.7	-51.1	-79.7	0	0	0	113.5	T259 L263	T259-F261 VanDerWaalsContact C-N 3.32Å; T259-F261 PolarHBondContact O-N 3.46Å; F261-L263 VanDerWaalsContact C-N 3.33Å; F261-L263 PolarHBondContact O-N 3.13Å
262	G	77.5	Confident	87.3	Confident	33 Å²	33	43.7 Å²	43.7	34%	0.34	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-2.1	-180	0	0	0	0	0	115.7	T259 L260 A264	T259-G262 CarbonylContact O-C 3.54Å; T259-G262 WeakPolarHBondContact O-CA 3.41Å; T259-G262 PolarHBondContact O-N 3.31Å; T259-G262 PolarHBondContact OG1-N 3.03Å; T259-G262 VanDerWaalsContact OG1-N 3.14Å; L260-G262 VanDerWaalsContact C-N 3.26Å; L260-G262 PolarHBondContact O-N 2.72Å; G262-A264 VanDerWaalsContact C-N 3.3Å; G262-A264 PolarHBondContact O-N 2.85Å
263	L	76.9	Confident	86.9	Confident	131 Å²	131	46.5 Å²	46.5	69%	0.686	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.1	177.8	-65.4	173.8	0	0	0	112.9	T259 L260 F261	T259-L263 PolarHBondContact O-N 3.22Å; T259-L263 VanDerWaalsContact O-N 3.08Å; L260-L263 HydrophobicContact CB-CB 4.39Å; L260-L263 HydrophobicContact CD2-CB 4.3Å; L260-L263 HydrophobicContact CD2-CD1 4.03Å; L260-L263 HydrophobicContact CG-CD1 4.43Å; L260-L263 WeakPolarHBondContact O-CB 3.41Å; L260-L263 WeakPolarHBondContact O-CG 3.47Å; L260-L263 PolarHBondContact O-N 3.35Å; F261-L263 VanDerWaalsContact C-N 3.33Å; F261-L263 PolarHBondContact O-N 3.13Å
264	A	78.3	Confident	86.6	Confident	5 Å²	5	47.4 Å²	47.4	4%	0.041	24%	0.241	C	C	.	.			trans	-135.6	84.2	179.9	0	0	0	0	0	110.1	T259 G262 K266 M267 V436 L440	T259-A264 WeakPolarHBondContact CA-O 3.38Å; T259-A264 PolarHBondContact O-N 2.86Å; G262-A264 VanDerWaalsContact C-N 3.3Å; G262-A264 PolarHBondContact O-N 2.85Å; A264-K266 VanDerWaalsContact C-N 3.26Å; A264-K266 PolarHBondContact O-N 3.45Å; A264-M267 HydrophobicContact CB-CG 3.66Å; A264-M267 HydrophobicContact CB-SD 3.7Å; A264-M267 WeakPolarHBondContact O-CG 3.32Å; A264-V436 HydrophobicContact CB-CG1 3.97Å; A264-L440 HydrophobicContact CB-CD1 4.18Å
265	K	75.5	Confident	86.4	Confident	143 Å²	143	47.5 Å²	47.5	62%	0.622	24%	0.241	S	C	*	.	S	Bend	trans	-72	-15.9	-179.6	-63.6	-173.5	179.7	-176	0	114.6
266	K	82.8	Confident	86.3	Confident	145 Å²	145	47.7 Å²	47.7	63%	0.63	24%	0.242	S	C	*	.			trans	-133.1	94.5	-178	-68.6	-171.7	177	-173.8	0	108.9	A264 Y268 S437	A264-K266 VanDerWaalsContact C-N 3.26Å; A264-K266 PolarHBondContact O-N 3.45Å; K266-Y268 HydrophobicContact CB-CD2 4.18Å; K266-Y268 HydrophobicContact CB-CE2 3.62Å; K266-Y268 HydrophobicContact CD-CE2 4.06Å; K266-Y268 HydrophobicContact CG-CE2 3.87Å; K266-Y268 PolarHBondContact O-N 2.98Å; K266-S437 WeakPolarHBondContact O-CB 3.27Å; K266-S437 PolarHBondContact O-OG 3.08Å
267	M	85.3	Confident	86.2	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	67.6	-176.5	-69.2	-166.8	-71.5	0	0	110.8	L257 H258 A264 E279 L440 V441	L257-M267 HydrophobicContact CB-CE 3.7Å; L257-M267 HydrophobicContact CB-SD 4.19Å; H258-M267 WeakPolarHBondContact O-CE 3.42Å; A264-M267 HydrophobicContact CB-CG 3.66Å; A264-M267 HydrophobicContact CB-SD 3.7Å; A264-M267 WeakPolarHBondContact O-CG 3.32Å; M267-E279 HydrophobicContact CB-CB 3.81Å; M267-E279 HydrophobicContact CB-CG 4.47Å; M267-E279 HydrophobicContact CE-CG 4.32Å; M267-E279 WeakPolarHBondContact CE-OE2 3.03Å; M267-E279 WeakPolarHBondContact O-CB 3.45Å; M267-E279 PolarHBondContact O-N 2.86Å; M267-L440 HydrophobicContact SD-CD1 4.01Å; M267-V441 HydrophobicContact CB-CG2 4.15Å
268	Y	88.1	Confident	86.3	Confident	27 Å²	27	46.5 Å²	46.5	11%	0.106	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.3	174.8	-31.3	-50	0	0	0	109.4	K266 E277 W278 F301 D303 F329	K266-Y268 HydrophobicContact CB-CD2 4.18Å; K266-Y268 HydrophobicContact CB-CE2 3.62Å; K266-Y268 HydrophobicContact CD-CE2 4.06Å; K266-Y268 HydrophobicContact CG-CE2 3.87Å; K266-Y268 PolarHBondContact O-N 2.98Å; Y268-E277 CarbonylContact C-O 3.49Å; Y268-E277 VanDerWaalsContact CA-O 3.31Å; Y268-E277 WeakPolarHBondContact CA-O 3.42Å; Y268-W278 HydrophobicContact CD1-CB 4.44Å; Y268-F301 HydrophobicContact CD2-CZ 4.14Å; Y268-F301 HydrophobicContact CE1-CE2 4.3Å; Y268-F301 HydrophobicContact CE2-CE2 4.18Å; Y268-F301 HydrophobicContact CE2-CZ 4.14Å; Y268-F301 HydrophobicContact CG-CZ 4.35Å; Y268-D303 VanDerWaalsContact CE1-OD2 3.32Å; Y268-D303 WeakPolarHBondContact CE1-OD2 3.3Å; Y268-D303 VanDerWaalsContact CZ-OD2 3.26Å; Y268-D303 PolarHBondContact OH-OD2 2.89Å; Y268-F329 AromaticContact CD2-CE1 3.93Å; Y268-F329 HydrophobicContact CD2-CE1 3.93Å; Y268-F329 AromaticContact CD2-CZ 3.97Å; Y268-F329 HydrophobicContact CD2-CZ 3.97Å; Y268-F329 HydrophobicContact CE2-CZ 4.4Å; Y268-F329 HydrophobicContact CG-CE1 4.45Å
269	F	88.6	Confident	86.5	Confident	11 Å²	11	45.1 Å²	45.1	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	135	176.2	-172.5	-106.9	0	0	0	111.2	Q271 E277 I433 K438 V441 A442	F269-Q271 HydrophobicContact CD1-CG 4.07Å; F269-Q271 PolarHBondContact O-N 2.83Å; F269-E277 PolarHBondContact N-O 3.02Å; F269-E277 PolarHBondContact O-N 3.42Å; F269-I433 HydrophobicContact CD2-CD1 3.75Å; F269-I433 HydrophobicContact CD2-CG1 4.33Å; F269-I433 HydrophobicContact CD2-CG2 3.72Å; F269-I433 HydrophobicContact CE2-CD1 3.54Å; F269-I433 HydrophobicContact CE2-CG2 4.09Å; F269-K438 HydrophobicContact CD2-CB 4.2Å; F269-K438 HydrophobicContact CD2-CG 4.11Å; F269-K438 HydrophobicContact CE2-CB 4.05Å; F269-K438 HydrophobicContact CE2-CD 3.79Å; F269-K438 HydrophobicContact CE2-CG 3.51Å; F269-K438 HydrophobicContact CZ-CD 4.33Å; F269-K438 HydrophobicContact CZ-CG 4.08Å; F269-V441 HydrophobicContact CB-CB 4.02Å; F269-V441 HydrophobicContact CB-CG1 3.85Å; F269-A442 HydrophobicContact CD1-CB 3.48Å; F269-A442 VanDerWaalsContact CD1-CB 3.48Å; F269-A442 HydrophobicContact CD2-CB 4.28Å; F269-A442 HydrophobicContact CE1-CB 3.16Å; F269-A442 HydrophobicContact CE2-CB 4.05Å; F269-A442 HydrophobicContact CG-CB 4.03Å; F269-A442 HydrophobicContact CZ-CB 3.49Å; F269-A442 VanDerWaalsContact CZ-CB 3.49Å
270	L	90.2	Very high	86.9	Confident	21 Å²	21	45 Å²	45	11%	0.11	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	109.2	169	178.5	67.6	0	0	0	108.1	Y275 W276 L331 Y431	L270-Y275 WeakPolarHBondContact CD1-O 3.33Å; L270-W276 HydrophobicContact CB-CD2 4.28Å; L270-W276 HydrophobicContact CB-CE3 3.97Å; L270-W276 HydrophobicContact CB-CH2 3.81Å; L270-W276 HydrophobicContact CB-CZ2 4.09Å; L270-W276 HydrophobicContact CB-CZ3 3.74Å; L270-W276 HydrophobicContact CD1-CD2 4.15Å; L270-W276 HydrophobicContact CD1-CG 4.38Å; L270-W276 VanDerWaalsContact N-CZ3 3.31Å; L270-L331 HydrophobicContact CD1-CD1 3.79Å; L270-Y431 HydrophobicContact CD2-CD1 4.16Å; L270-Y431 HydrophobicContact CD2-CD2 4.13Å; L270-Y431 HydrophobicContact CD2-CE1 3.58Å; L270-Y431 HydrophobicContact CD2-CE2 3.54Å; L270-Y431 HydrophobicContact CD2-CG 4.4Å; L270-Y431 WeakPolarHBondContact CD2-OH 3.26Å
271	Q	88.9	Confident	87.4	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	145.4	-178	-70.1	-76.9	12.9	0	0	110.7	T231 F269 Q273 G274 Y275 E277 V441	T231-Q271 PolarHBondContact OG1-NE2 2.71Å; F269-Q271 HydrophobicContact CD1-CG 4.07Å; F269-Q271 PolarHBondContact O-N 2.83Å; Q271-Q273 PolarHBondContact O-N 3.37Å; Q271-G274 PolarHBondContact O-N 2.87Å; Q271-Y275 HydrophobicContact CB-CD1 3.81Å; Q271-Y275 HydrophobicContact CB-CD2 4.45Å; Q271-Y275 HydrophobicContact CB-CE1 3.4Å; Q271-Y275 HydrophobicContact CB-CE2 4.1Å; Q271-Y275 HydrophobicContact CB-CG 4.33Å; Q271-Y275 HydrophobicContact CG-CD2 4.41Å; Q271-Y275 HydrophobicContact CG-CE1 3.85Å; Q271-Y275 HydrophobicContact CG-CE2 3.74Å; Q271-Y275 VanDerWaalsContact CG-CZ 3.43Å; Q271-Y275 WeakPolarHBondContact CG-OH 3.33Å; Q271-Y275 PolarHBondContact N-O 3.39Å; Q271-E277 HydrophobicContact CG-CB 3.93Å; Q271-E277 PolarHBondContact NE2-OE2 3.49Å; Q271-V441 PolarHBondContact NE2-O 3.06Å; Q271-V441 VanDerWaalsContact NE2-O 3.09Å
272	P	86.4	Confident	88.3	Confident	75 Å²	75	33 Å²	33	49%	0.487	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.4	-177.9	-25.4	34.9	0	0	0	113.8	G274	P272-G274 PolarHBondContact O-N 3.19Å
273	Q	89.7	Confident	89.2	Confident	59 Å²	59	31.5 Å²	31.5	28%	0.276	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.2	176.5	-57.2	78.9	6.5	0	0	113	N240 G242 G246 Q271 Y275	N240-Q273 PolarHBondContact ND2-NE2 2.86Å; G242-Q273 WeakPolarHBondContact O-CB 3.25Å; G246-Q273 VanDerWaalsContact CA-O 3.32Å; G246-Q273 WeakPolarHBondContact CA-O 3.37Å; Q271-Q273 PolarHBondContact O-N 3.37Å; Q273-Y275 HydrophobicContact CB-CD1 4.17Å; Q273-Y275 HydrophobicContact CB-CE1 4.12Å
274	G	90.4	Very high	90	Very high	20 Å²	20	29.4 Å²	29.4	21%	0.206	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	37.3	170.4	0	0	0	0	0	114.7	Q271 P272 K334	Q271-G274 PolarHBondContact O-N 2.87Å; P272-G274 PolarHBondContact O-N 3.19Å; G274-K334 WeakPolarHBondContact O-CE 3.29Å; G274-K334 PolarHBondContact O-NZ 2.95Å
275	Y	93.8	Very high	90.6	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.5	170.7	70.5	-82.7	0	0	0	110.5	T231 G242 I245 L270 Q271 Q273 E277	T231-Y275 WeakPolarHBondContact CG2-OH 3.35Å; G242-Y275 WeakPolarHBondContact CA-OH 3.09Å; G242-Y275 WeakPolarHBondContact O-CE1 3.5Å; I245-Y275 HydrophobicContact CB-CD1 4.2Å; I245-Y275 HydrophobicContact CB-CD2 4.28Å; I245-Y275 HydrophobicContact CB-CE1 4.19Å; I245-Y275 HydrophobicContact CB-CE2 4.28Å; I245-Y275 HydrophobicContact CB-CG 4.24Å; I245-Y275 HydrophobicContact CD1-CE2 4.38Å; I245-Y275 HydrophobicContact CG2-CD1 3.98Å; I245-Y275 HydrophobicContact CG2-CD2 3.37Å; I245-Y275 HydrophobicContact CG2-CE1 4.28Å; I245-Y275 HydrophobicContact CG2-CE2 3.72Å; I245-Y275 HydrophobicContact CG2-CG 3.51Å; L270-Y275 WeakPolarHBondContact CD1-O 3.33Å; Q271-Y275 HydrophobicContact CB-CD1 3.81Å; Q271-Y275 HydrophobicContact CB-CD2 4.45Å; Q271-Y275 HydrophobicContact CB-CE1 3.4Å; Q271-Y275 HydrophobicContact CB-CE2 4.1Å; Q271-Y275 HydrophobicContact CB-CG 4.33Å; Q271-Y275 HydrophobicContact CG-CD2 4.41Å; Q271-Y275 HydrophobicContact CG-CE1 3.85Å; Q271-Y275 HydrophobicContact CG-CE2 3.74Å; Q271-Y275 VanDerWaalsContact CG-CZ 3.43Å; Q271-Y275 WeakPolarHBondContact CG-OH 3.33Å; Q271-Y275 PolarHBondContact N-O 3.39Å; Q273-Y275 HydrophobicContact CB-CD1 4.17Å; Q273-Y275 HydrophobicContact CB-CE1 4.12Å; Y275-E277 HydrophobicContact CE2-CB 4.03Å; Y275-E277 PolarHBondContact OH-OE2 3.05Å
276	W	94.3	Very high	91.4	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126	173.4	-83.5	113	0	0	0	111.2	F250 A251 Y252 L270 W278 N328 F329 Y431	F250-W276 AromaticContact CE1-CD1 3.8Å; F250-W276 AromaticContact CZ-CD1 3.84Å; F250-W276 PolarHBondContact O-N 3.25Å; A251-W276 CarbonylContact C-O 3.6Å; A251-W276 WeakPolarHBondContact CA-O 3.18Å; A251-W276 HydrophobicContact CB-CB 3.92Å; A251-W276 WeakPolarHBondContact CB-O 3.46Å; Y252-W276 PolarHBondContact N-O 3.26Å; L270-W276 HydrophobicContact CB-CD2 4.28Å; L270-W276 HydrophobicContact CB-CE3 3.97Å; L270-W276 HydrophobicContact CB-CH2 3.81Å; L270-W276 HydrophobicContact CB-CZ2 4.09Å; L270-W276 HydrophobicContact CB-CZ3 3.74Å; L270-W276 HydrophobicContact CD1-CD2 4.15Å; L270-W276 HydrophobicContact CD1-CG 4.38Å; L270-W276 VanDerWaalsContact N-CZ3 3.31Å; W276-W278 HydrophobicContact CB-CD2 4.38Å; W276-W278 HydrophobicContact CB-CG 4.48Å; W276-W278 HydrophobicContact CB-CZ2 4.08Å; W276-W278 AromaticContact CD2-NE1 3.7Å; W276-W278 AromaticContact CE3-NE1 3.69Å; W276-W278 HydrophobicContact CG-CZ2 4.13Å; W276-W278 AromaticContact CG-NE1 3.59Å; W276-N328 WeakPolarHBondContact CH2-O 2.77Å; W276-N328 WeakPolarHBondContact CZ2-O 3Å; W276-F329 HydrophobicContact CE3-CD1 4.44Å; W276-F329 AromaticContact CH2-CD1 3.81Å; W276-F329 HydrophobicContact CH2-CD1 3.81Å; W276-F329 HydrophobicContact CH2-CE1 4.32Å; W276-F329 HydrophobicContact CZ2-CB 4.34Å; W276-F329 AromaticContact CZ2-CD1 3.91Å; W276-F329 HydrophobicContact CZ2-CD1 3.91Å; W276-F329 HydrophobicContact CZ3-CD1 4.09Å; W276-F329 HydrophobicContact CZ3-CE1 4.35Å; W276-F329 PolarHBondContact NE1-O 3.33Å; W276-Y431 AromaticContact CH2-CD1 3.56Å; W276-Y431 HydrophobicContact CH2-CD1 3.56Å; W276-Y431 AromaticContact CH2-CE1 3.99Å; W276-Y431 HydrophobicContact CH2-CE1 3.99Å; W276-Y431 AromaticContact CZ2-CD1 3.6Å; W276-Y431 HydrophobicContact CZ2-CD1 3.6Å; W276-Y431 AromaticContact CZ2-CE1 3.52Å; W276-Y431 HydrophobicContact CZ2-CE1 3.52Å
277	E	94.5	Very high	91.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.7	167	-171.7	158.9	164	0	0	109.1	P230 T231 Y252 Y268 F269 Q271 Y275 V441	P230-E277 VanDerWaalsContact CA-OE1 3.27Å; P230-E277 WeakPolarHBondContact CA-OE1 3.42Å; P230-E277 WeakPolarHBondContact CB-OE1 3.25Å; T231-E277 WeakPolarHBondContact CG2-OE2 3.43Å; T231-E277 PolarHBondContact N-OE1 3.47Å; T231-E277 PolarHBondContact OG1-OE1 3.17Å; T231-E277 PolarHBondContact OG1-OE2 3.45Å; Y252-E277 HydrophobicContact CD1-CG 3.98Å; Y268-E277 CarbonylContact C-O 3.49Å; Y268-E277 VanDerWaalsContact CA-O 3.31Å; Y268-E277 WeakPolarHBondContact CA-O 3.42Å; F269-E277 PolarHBondContact N-O 3.02Å; F269-E277 PolarHBondContact O-N 3.42Å; Q271-E277 HydrophobicContact CG-CB 3.93Å; Q271-E277 PolarHBondContact NE2-OE2 3.49Å; Y275-E277 HydrophobicContact CE2-CB 4.03Å; Y275-E277 PolarHBondContact OH-OE2 3.05Å; E277-V441 HydrophobicContact CB-CG1 3.87Å; E277-V441 VanDerWaalsContact CD-CG1 3.5Å; E277-V441 HydrophobicContact CG-CG1 3.56Å
278	W	94.4	Very high	92.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	88.8	-173.9	-63.8	-21.3	0	0	0	110.6	F250 A251 Y252 L253 C254 Y268 W276 R290 V292 V299 F301	F250-W278 HydrophobicContact CD1-CH2 4.37Å; F250-W278 AromaticContact CE1-CH2 3.78Å; F250-W278 HydrophobicContact CE1-CH2 3.78Å; F250-W278 AromaticContact CE1-CZ2 3.91Å; F250-W278 HydrophobicContact CE1-CZ2 3.91Å; A251-W278 HydrophobicContact CB-CD2 4.12Å; A251-W278 HydrophobicContact CB-CE3 3.91Å; A251-W278 HydrophobicContact CB-CH2 4.29Å; A251-W278 HydrophobicContact CB-CZ2 4.48Å; A251-W278 HydrophobicContact CB-CZ3 4Å; Y252-W278 PolarHBondContact O-N 2.52Å; L253-W278 HydrophobicContact CD2-CE3 4.48Å; L253-W278 HydrophobicContact CG-CE3 4.34Å; C254-W278 PolarHBondContact N-O 2.93Å; C254-W278 VanDerWaalsContact N-O 3.12Å; Y268-W278 HydrophobicContact CD1-CB 4.44Å; W276-W278 HydrophobicContact CB-CD2 4.38Å; W276-W278 HydrophobicContact CB-CG 4.48Å; W276-W278 HydrophobicContact CB-CZ2 4.08Å; W276-W278 AromaticContact CD2-NE1 3.7Å; W276-W278 AromaticContact CE3-NE1 3.69Å; W276-W278 HydrophobicContact CG-CZ2 4.13Å; W276-W278 AromaticContact CG-NE1 3.59Å; W278-R290 PolarHBondContact O-NH1 3.27Å; W278-R290 VanDerWaalsContact O-NH1 3.13Å; W278-V292 HydrophobicContact CZ3-CG1 4.19Å; W278-V292 HydrophobicContact CZ3-CG2 4.05Å; W278-V299 HydrophobicContact CH2-CG1 3.94Å; W278-F301 HydrophobicContact CD2-CE1 4.46Å; W278-F301 AromaticContact CE2-CD1 3.97Å; W278-F301 AromaticContact CE2-CE1 3.72Å; W278-F301 HydrophobicContact CH2-CB 4.44Å; W278-F301 AromaticContact CH2-CD1 3.65Å; W278-F301 HydrophobicContact CH2-CD1 3.65Å; W278-F301 HydrophobicContact CH2-CE1 4.22Å; W278-F301 HydrophobicContact CH2-CG 4.24Å; W278-F301 AromaticContact CZ2-CD1 3.51Å; W278-F301 HydrophobicContact CZ2-CD1 3.51Å; W278-F301 AromaticContact CZ2-CE1 3.6Å; W278-F301 HydrophobicContact CZ2-CE1 3.6Å; W278-F301 HydrophobicContact CZ2-CG 4.41Å; W278-F301 HydrophobicContact CZ3-CB 4.45Å; W278-F301 HydrophobicContact CZ3-CD1 4.23Å; W278-F301 HydrophobicContact CZ3-CG 4.41Å; W278-F301 AromaticContact NE1-CE1 3.93Å
279	E	94.4	Very high	92.8	Very high	2 Å²	2	24 Å²	24	1%	0.009	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	132.9	165.3	-160.7	-78.8	178.7	0	0	108.7	P230 C254 G255 L257 H258 M267 R290	P230-E279 HydrophobicContact CG-CG 3.97Å; C254-E279 WeakPolarHBondContact O-CA 3.39Å; G255-E279 VanDerWaalsContact C-OE1 3.26Å; G255-E279 WeakPolarHBondContact O-CG 3.32Å; L257-E279 HydrophobicContact CB-CG 4.42Å; L257-E279 PolarHBondContact N-OE1 3.17Å; L257-E279 VanDerWaalsContact N-OE1 3.15Å; H258-E279 PolarHBondContact N-OE1 2.79Å; M267-E279 HydrophobicContact CB-CB 3.81Å; M267-E279 HydrophobicContact CB-CG 4.47Å; M267-E279 HydrophobicContact CE-CG 4.32Å; M267-E279 WeakPolarHBondContact CE-OE2 3.03Å; M267-E279 WeakPolarHBondContact O-CB 3.45Å; M267-E279 PolarHBondContact O-N 2.86Å; E279-R290 PolarHBondContact O-NH2 2.84Å
280	L	95.6	Very high	93.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.118	C	C	.	.			trans	-105.8	139.2	-179.4	177.3	61.7	0	0	0	110.1	H56 T58 C254 R290 D303	H56-L280 HydrophobicContact CB-CD2 4.46Å; H56-L280 WeakPolarHBondContact O-CD2 3.31Å; T58-L280 HydrophobicContact CG2-CB 3.84Å; T58-L280 HydrophobicContact CG2-CD2 4.18Å; T58-L280 HydrophobicContact CG2-CG 4.07Å; T58-L280 VanDerWaalsContact CG2-O 3.27Å; T58-L280 WeakPolarHBondContact CG2-O 3.46Å; C254-L280 PolarHBondContact O-N 3.49Å; L280-R290 HydrophobicContact CD1-CB 3.93Å; L280-R290 HydrophobicContact CD2-CB 4.06Å; L280-D303 HydrophobicContact CD1-CB 4.42Å; L280-D303 WeakPolarHBondContact CD1-OD2 3.13Å
281	G	93.8	Very high	93.6	Very high	5 Å²	5	22.4 Å²	22.4	5%	0.052	11%	0.113	C	C	.	.			trans	-49	146.8	168.6	0	0	0	0	0	113	H258 Y288	H258-G281 VanDerWaalsContact O-CA 3.31Å; H258-G281 WeakPolarHBondContact O-CA 3.48Å; G281-Y288 WeakPolarHBondContact O-CB 3.41Å
282	D	94.8	Very high	94.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.111	C	C	.	.			trans	-71	148.8	-175.1	61.8	-61.9	0	0	0	113.5	D59 H258 R284 E285 N286 R287 Y288	D59-D282 HydrophobicContact CB-CB 3.74Å; H258-D282 HydrophobicContact CB-CB 3.66Å; H258-D282 WeakPolarHBondContact CB-OD1 3.33Å; H258-D282 VanDerWaalsContact CG-CB 3.45Å; H258-D282 VanDerWaalsContact ND1-CB 3.32Å; H258-D282 WeakPolarHBondContact ND1-CB 3.46Å; H258-D282 IonicContact ND1-OD1 3.26Å; H258-D282 IonicContact ND1-OD2 3.78Å; D282-R284 HydrophobicContact CB-CB 4.45Å; D282-E285 WeakPolarHBondContact OD2-CA 3.18Å; D282-E285 VanDerWaalsContact OD2-CB 3.31Å; D282-E285 WeakPolarHBondContact OD2-CB 3.41Å; D282-E285 PolarHBondContact OD2-N 3Å; D282-N286 PolarHBondContact OD1-ND2 3.5Å; D282-R287 PolarHBondContact O-N 3.21Å; D282-R287 VanDerWaalsContact O-N 3.12Å; D282-Y288 PolarHBondContact O-N 3.15Å
283	W	96.3	Very high	94.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.7	-42.3	164.2	-177	-98.1	0	0	0	111.4	I57 T58 D59 L60 R70 D73 F74 F77 E285 R287 K306	I57-W283 HydrophobicContact CD1-CB 4.4Å; I57-W283 HydrophobicContact CD1-CD2 3.66Å; I57-W283 HydrophobicContact CD1-CE3 3.32Å; I57-W283 HydrophobicContact CD1-CG 4.15Å; I57-W283 HydrophobicContact CD1-CH2 4.49Å; I57-W283 HydrophobicContact CD1-CZ3 3.77Å; I57-W283 HydrophobicContact CG1-CB 4.28Å; I57-W283 HydrophobicContact CG1-CD2 4.37Å; I57-W283 HydrophobicContact CG1-CE3 3.93Å; T58-W283 VanDerWaalsContact O-CB 3.31Å; T58-W283 WeakPolarHBondContact O-CB 3.28Å; T58-W283 PolarHBondContact O-N 3.42Å; D59-W283 WeakPolarHBondContact O-CB 3.35Å; D59-W283 PolarHBondContact O-N 3.13Å; L60-W283 HydrophobicContact CD2-CB 3.83Å; L60-W283 HydrophobicContact CD2-CD2 4.49Å; L60-W283 HydrophobicContact CD2-CG 3.85Å; R70-W283 PolarHBondContact O-NE1 3.16Å; D73-W283 HydrophobicContact CB-CZ2 3.8Å; F74-W283 HydrophobicContact CB-CZ2 4.06Å; F77-W283 HydrophobicContact CB-CH2 3.61Å; F77-W283 HydrophobicContact CB-CZ2 4.23Å; F77-W283 HydrophobicContact CB-CZ3 4.44Å; F77-W283 HydrophobicContact CD1-CH2 4.46Å; F77-W283 HydrophobicContact CD2-CH2 4.13Å; F77-W283 HydrophobicContact CD2-CZ3 4.2Å; F77-W283 AromaticContact CG-CH2 3.83Å; F77-W283 HydrophobicContact CG-CH2 3.83Å; F77-W283 HydrophobicContact CG-CZ3 4.19Å; W283-E285 PolarHBondContact O-N 2.85Å; W283-R287 VanDerWaalsContact CE2-CD 3.42Å; W283-R287 HydrophobicContact CE3-CB 4.32Å; W283-R287 HydrophobicContact CZ3-CB 4.32Å; W283-R287 WeakPolarHBondContact O-CA 3.35Å; W283-R287 WeakPolarHBondContact O-CD 3.28Å; W283-R287 PolarHBondContact O-N 2.96Å; W283-R287 PolarHBondContact O-NH1 3.05Å; W283-K306 HydrophobicContact CH2-CB 4.32Å; W283-K306 HydrophobicContact CH2-CD 3.57Å; W283-K306 HydrophobicContact CZ2-CD 4.23Å; W283-K306 HydrophobicContact CZ3-CB 4.4Å; W283-K306 HydrophobicContact CZ3-CD 4.44Å
284	R	94.6	Very high	95	Very high	87 Å²	87	15.7 Å²	15.7	33%	0.328	8%	0.075	S	C	.	.	H	α-helix	trans	-46.3	-49.1	-170.7	178.3	-169.9	151.7	-164.5	-8.2	115.9	D59 H61 D282 R287	D59-R284 WeakPolarHBondContact O-CB 3.48Å; D59-R284 PolarHBondContact O-N 2.96Å; H61-R284 HydrophobicContact CB-CB 4.04Å; H61-R284 HydrophobicContact CB-CG 3.86Å; D282-R284 HydrophobicContact CB-CB 4.45Å; R284-R287 PolarHBondContact O-NH1 3.33Å
285	E	90.5	Very high	95.4	Very high	113 Å²	113	14.8 Å²	14.8	53%	0.528	7%	0.066	S	C	.	.	H	α-helix	trans	-112.5	-37.5	-177.2	-57.9	-67.3	163.6	0	0	110.8	D282 W283	D282-E285 WeakPolarHBondContact OD2-CA 3.18Å; D282-E285 VanDerWaalsContact OD2-CB 3.31Å; D282-E285 WeakPolarHBondContact OD2-CB 3.41Å; D282-E285 PolarHBondContact OD2-N 3Å; W283-E285 PolarHBondContact O-N 2.85Å
286	N	91.4	Very high	95.5	Very high	38 Å²	38	14.8 Å²	14.8	20%	0.203	7%	0.066	C	C	.	.	H	α-helix	trans	-103.1	-16.7	-168	-67.3	-68.7	0	0	0	114.6	T259 D282 Y288 R305	T259-N286 PolarHBondContact OG1-ND2 3.39Å; D282-N286 PolarHBondContact OD1-ND2 3.5Å; N286-Y288 VanDerWaalsContact C-N 3.31Å; N286-Y288 HydrophobicContact CB-CD2 3.35Å; N286-Y288 HydrophobicContact CB-CE2 3.39Å; N286-Y288 HydrophobicContact CB-CG 4.43Å; N286-Y288 PolarHBondContact O-N 3.41Å; N286-R305 VanDerWaalsContact O-CG 3.28Å; N286-R305 WeakPolarHBondContact O-CG 3.37Å; N286-R305 PolarHBondContact O-NE 2.81Å; N286-R305 VanDerWaalsContact O-NE 3.11Å
287	R	93.8	Very high	95.6	Very high	18 Å²	18	15.2 Å²	15.2	7%	0.068	7%	0.068	C	C	.	.			trans	57.7	38.2	-178.2	-55.1	-71.4	-174.5	-76.4	-17.8	113.7	D69 R70 D73 D282 W283 R284 K306	D69-R287 IonicContact OD1-NH2 3.59Å; D69-R287 PolarHBondContact OD1-NH2 2.92Å; D69-R287 IonicContact OD2-NH2 3.4Å; D69-R287 PolarHBondContact OD2-NH2 3.34Å; R70-R287 VanDerWaalsContact CA-CZ 3.42Å; R70-R287 VanDerWaalsContact N-NH2 3.15Å; D73-R287 IonicContact OD2-CZ 3.4Å; D73-R287 IonicContact OD2-NE 3.84Å; D73-R287 PolarHBondContact OD2-NE 3.45Å; D73-R287 IonicContact OD2-NH2 3.34Å; D73-R287 PolarHBondContact OD2-NH2 3.26Å; D282-R287 PolarHBondContact O-N 3.21Å; D282-R287 VanDerWaalsContact O-N 3.12Å; W283-R287 VanDerWaalsContact CE2-CD 3.42Å; W283-R287 HydrophobicContact CE3-CB 4.32Å; W283-R287 HydrophobicContact CZ3-CB 4.32Å; W283-R287 WeakPolarHBondContact O-CA 3.35Å; W283-R287 WeakPolarHBondContact O-CD 3.28Å; W283-R287 PolarHBondContact O-N 2.96Å; W283-R287 PolarHBondContact O-NH1 3.05Å; R284-R287 PolarHBondContact O-NH1 3.33Å; R287-K306 HydrophobicContact CB-CB 4Å; R287-K306 PolarHBondContact O-N 3.41Å
288	Y	94.6	Very high	95.6	Very high	39 Å²	39	15.3 Å²	15.3	15%	0.153	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	145.8	174.8	-74.8	-68.9	0	0	0	111.6	T259 G281 D282 N286 V304 R305	T259-Y288 HydrophobicContact CG2-CD2 4.47Å; T259-Y288 HydrophobicContact CG2-CE2 4.15Å; G281-Y288 WeakPolarHBondContact O-CB 3.41Å; D282-Y288 PolarHBondContact O-N 3.15Å; N286-Y288 VanDerWaalsContact C-N 3.31Å; N286-Y288 HydrophobicContact CB-CD2 3.35Å; N286-Y288 HydrophobicContact CB-CE2 3.39Å; N286-Y288 HydrophobicContact CB-CG 4.43Å; N286-Y288 PolarHBondContact O-N 3.41Å; Y288-V304 WeakPolarHBondContact CA-O 3.37Å; Y288-R305 HydrophobicContact CD1-CB 4.09Å; Y288-R305 HydrophobicContact CE1-CB 3.86Å; Y288-R305 HydrophobicContact CE1-CG 4.32Å
289	F	97	Very high	95.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.2	162.5	67.2	-82.8	0	0	0	108.6	V55 H56 F77 Y81 I85 I291 V304 K306 I318	V55-F289 HydrophobicContact CG1-CD2 4.36Å; H56-F289 CarbonylContact O-C 3.46Å; H56-F289 WeakPolarHBondContact O-CA 3.34Å; F77-F289 HydrophobicContact CD2-CD1 4.3Å; F77-F289 HydrophobicContact CD2-CE1 4.47Å; F77-F289 HydrophobicContact CE2-CB 4.03Å; F77-F289 AromaticContact CE2-CD1 3.69Å; F77-F289 HydrophobicContact CE2-CD1 3.69Å; F77-F289 AromaticContact CE2-CD2 3.81Å; F77-F289 HydrophobicContact CE2-CD2 3.81Å; F77-F289 HydrophobicContact CE2-CE1 4.02Å; F77-F289 HydrophobicContact CE2-CE2 4.13Å; F77-F289 AromaticContact CE2-CG 3.56Å; F77-F289 HydrophobicContact CE2-CG 3.56Å; F77-F289 HydrophobicContact CE2-CZ 4.22Å; F77-F289 HydrophobicContact CZ-CB 4.03Å; F77-F289 HydrophobicContact CZ-CD2 4.18Å; F77-F289 HydrophobicContact CZ-CG 4Å; Y81-F289 AromaticContact CD1-CE1 3.95Å; Y81-F289 HydrophobicContact CD1-CE1 3.95Å; Y81-F289 AromaticContact CD1-CZ 3.75Å; Y81-F289 HydrophobicContact CD1-CZ 3.75Å; Y81-F289 HydrophobicContact CE1-CE1 4.07Å; Y81-F289 HydrophobicContact CE1-CZ 4.11Å; I85-F289 HydrophobicContact CD1-CE2 3.76Å; I85-F289 HydrophobicContact CD1-CZ 4.28Å; F289-I291 HydrophobicContact CD2-CG1 4.22Å; F289-I291 HydrophobicContact CE2-CD1 4.08Å; F289-I291 HydrophobicContact CE2-CG1 3.89Å; F289-V304 HydrophobicContact CD1-CB 4.19Å; F289-V304 HydrophobicContact CD1-CG1 4.5Å; F289-V304 HydrophobicContact CD2-CB 4.38Å; F289-V304 HydrophobicContact CE1-CB 3.64Å; F289-V304 HydrophobicContact CE1-CG1 3.56Å; F289-V304 HydrophobicContact CE2-CB 3.86Å; F289-V304 HydrophobicContact CE2-CG1 4.29Å; F289-V304 HydrophobicContact CE2-CG2 4.15Å; F289-V304 HydrophobicContact CZ-CB 3.47Å; F289-V304 VanDerWaalsContact CZ-CB 3.47Å; F289-V304 HydrophobicContact CZ-CG1 3.43Å; F289-V304 VanDerWaalsContact CZ-CG1 3.43Å; F289-V304 HydrophobicContact CZ-CG2 4.11Å; F289-V304 PolarHBondContact N-O 2.9Å; F289-V304 PolarHBondContact O-N 2.77Å; F289-K306 HydrophobicContact CE1-CB 4.43Å; F289-I318 HydrophobicContact CE2-CD1 4.41Å; F289-I318 HydrophobicContact CZ-CD1 3.89Å
290	R	97.8	Very high	95.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.3	177.7	172.2	179.8	-63.6	137.8	3.2	110.3	V55 H56 W278 E279 L280 V292 F301 V302 D303	V55-R290 CarbonylContact C-O 3.51Å; V55-R290 VanDerWaalsContact CA-O 3.24Å; V55-R290 WeakPolarHBondContact CA-O 3.27Å; H56-R290 HydrophobicContact CB-CB 4.2Å; H56-R290 PolarHBondContact N-O 3.05Å; H56-R290 PolarHBondContact ND1-NH1 2.95Å; H56-R290 PolarHBondContact O-N 3.05Å; W278-R290 PolarHBondContact O-NH1 3.27Å; W278-R290 VanDerWaalsContact O-NH1 3.13Å; E279-R290 PolarHBondContact O-NH2 2.84Å; L280-R290 HydrophobicContact CD1-CB 3.93Å; L280-R290 HydrophobicContact CD2-CB 4.06Å; R290-V292 HydrophobicContact CG-CG2 3.81Å; R290-F301 HydrophobicContact CG-CB 4.26Å; R290-F301 HydrophobicContact CG-CD2 4.15Å; R290-V302 CarbonylContact C-O 3.41Å; R290-V302 WeakPolarHBondContact CA-O 3.33Å; R290-D303 WeakPolarHBondContact CG-OD1 3.5Å; R290-D303 IonicContact CZ-OD1 2.65Å; R290-D303 IonicContact CZ-OD2 3.41Å; R290-D303 IonicContact NE-OD1 3.63Å; R290-D303 PolarHBondContact NE-OD1 2.95Å; R290-D303 IonicContact NE-OD2 2.81Å; R290-D303 IonicContact NH2-OD1 3.7Å; R290-D303 PolarHBondContact NH2-OD1 3.05Å; R290-D303 IonicContact NH2-OD2 3.84Å; R290-D303 PolarHBondContact NH2-OD2 3.04Å
291	I	98.5	Very high	96	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127	165.5	-51.1	177.5	0	0	0	107.6	W53 V55 I85 F289 F301 V302 I318 W351	W53-I291 HydrophobicContact CB-CG2 4.29Å; V55-I291 HydrophobicContact CG2-CG1 4.26Å; I85-I291 HydrophobicContact CD1-CD1 3.89Å; I85-I291 HydrophobicContact CD1-CG1 4.44Å; I85-I291 HydrophobicContact CG1-CD1 4.17Å; I85-I291 HydrophobicContact CG2-CD1 4.17Å; F289-I291 HydrophobicContact CD2-CG1 4.22Å; F289-I291 HydrophobicContact CE2-CD1 4.08Å; F289-I291 HydrophobicContact CE2-CG1 3.89Å; I291-F301 CarbonylContact O-C 3.57Å; I291-F301 WeakPolarHBondContact O-CA 3.49Å; I291-F301 WeakPolarHBondContact O-CB 3.45Å; I291-V302 HydrophobicContact CB-CG1 4.08Å; I291-V302 PolarHBondContact N-O 3.36Å; I291-V302 PolarHBondContact O-N 2.92Å; I291-I318 HydrophobicContact CD1-CD1 4.41Å; I291-I318 HydrophobicContact CD1-CG2 3.95Å; I291-W351 HydrophobicContact CD1-CE3 4Å; I291-W351 HydrophobicContact CD1-CH2 4.27Å; I291-W351 HydrophobicContact CD1-CZ3 3.84Å; I291-W351 HydrophobicContact CG2-CH2 3.74Å; I291-W351 HydrophobicContact CG2-CZ2 4.36Å; I291-W351 HydrophobicContact CG2-CZ3 4.23Å
292	V	98.8	Very high	96.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.1	173.4	-174.5	0	0	0	0	108.4	W53 F54 F224 L253 W278 R290 V299 S300 F301	W53-V292 CarbonylContact C-O 3.54Å; W53-V292 WeakPolarHBondContact CA-O 3.27Å; W53-V292 VanDerWaalsContact CB-O 3.22Å; W53-V292 WeakPolarHBondContact CB-O 3.28Å; F54-V292 HydrophobicContact CD1-CB 4.01Å; F54-V292 HydrophobicContact CD1-CG1 4.35Å; F54-V292 HydrophobicContact CD2-CB 4.16Å; F54-V292 HydrophobicContact CD2-CG2 4.37Å; F54-V292 HydrophobicContact CE1-CB 3.54Å; F54-V292 HydrophobicContact CE1-CG1 3.49Å; F54-V292 VanDerWaalsContact CE1-CG1 3.49Å; F54-V292 HydrophobicContact CE1-CG2 4.4Å; F54-V292 HydrophobicContact CE2-CB 3.7Å; F54-V292 HydrophobicContact CE2-CG1 4.27Å; F54-V292 HydrophobicContact CE2-CG2 3.71Å; F54-V292 HydrophobicContact CG-CB 4.31Å; F54-V292 HydrophobicContact CZ-CB 3.38Å; F54-V292 HydrophobicContact CZ-CG1 3.45Å; F54-V292 VanDerWaalsContact CZ-CG1 3.45Å; F54-V292 HydrophobicContact CZ-CG2 3.74Å; F54-V292 PolarHBondContact N-O 3.02Å; F54-V292 PolarHBondContact O-N 3.1Å; F224-V292 HydrophobicContact CE1-CG1 4.46Å; L253-V292 HydrophobicContact CD2-CG2 4.39Å; W278-V292 HydrophobicContact CZ3-CG1 4.19Å; W278-V292 HydrophobicContact CZ3-CG2 4.05Å; R290-V292 HydrophobicContact CG-CG2 3.81Å; V292-V299 HydrophobicContact CG1-CG1 3.66Å; V292-S300 CarbonylContact C-O 3.58Å; V292-S300 WeakPolarHBondContact CA-O 3.43Å; V292-F301 HydrophobicContact CB-CB 4.44Å; V292-F301 HydrophobicContact CG2-CB 4Å
293	A	98.6	Very high	96.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.8	174.8	0	0	0	0	0	110.4	F52 W53 V299 S300 L320 T322 L349	F52-A293 WeakPolarHBondContact O-CA 3.47Å; W53-A293 HydrophobicContact CB-CB 4.15Å; A293-V299 WeakPolarHBondContact O-CA 3.5Å; A293-S300 PolarHBondContact N-O 3.42Å; A293-S300 PolarHBondContact O-N 2.89Å; A293-L320 HydrophobicContact CB-CD2 3.64Å; A293-T322 HydrophobicContact CB-CG2 3.87Å; A293-L349 HydrophobicContact CB-CD1 3.52Å
294	V	98.3	Very high	96	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	106	167.5	-175.8	0	0	0	0	106.6	V51 F52 Y179 F224 L298 V299	V51-V294 WeakPolarHBondContact CA-O 3.21Å; F52-V294 HydrophobicContact CD1-CB 4.01Å; F52-V294 HydrophobicContact CE1-CB 3.46Å; F52-V294 VanDerWaalsContact CE1-CB 3.46Å; F52-V294 HydrophobicContact CE1-CG1 3.85Å; F52-V294 HydrophobicContact CE1-CG2 3.87Å; F52-V294 HydrophobicContact CE2-CB 4.4Å; F52-V294 HydrophobicContact CE2-CG2 4.1Å; F52-V294 HydrophobicContact CZ-CB 3.68Å; F52-V294 HydrophobicContact CZ-CG1 4.32Å; F52-V294 HydrophobicContact CZ-CG2 3.52Å; F52-V294 PolarHBondContact N-O 3.4Å; F52-V294 VanDerWaalsContact N-O 3.08Å; F52-V294 PolarHBondContact O-N 2.8Å; Y179-V294 HydrophobicContact CD1-CG1 4.25Å; Y179-V294 HydrophobicContact CE1-CG1 3.71Å; F224-V294 HydrophobicContact CE2-CG2 3.95Å; F224-V294 HydrophobicContact CZ-CG2 3.74Å; V294-L298 WeakPolarHBondContact CA-O 3.47Å; V294-V299 HydrophobicContact CG2-CG2 4.34Å
295	D	97.2	Very high	95.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.011	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	108.8	-175.9	-170.7	0.2	0	0	0	108.9	V51 D297 L298 T322 R347	V51-D295 HydrophobicContact CB-CB 4.42Å; V51-D295 HydrophobicContact CG2-CB 3.95Å; D295-D297 PolarHBondContact O-N 3.47Å; D295-L298 PolarHBondContact N-O 3.38Å; D295-L298 WeakPolarHBondContact O-CB 3.47Å; D295-L298 PolarHBondContact O-N 3.01Å; D295-L298 VanDerWaalsContact O-N 3.08Å; D295-T322 HydrophobicContact CB-CG2 4.23Å; D295-T322 VanDerWaalsContact OD2-CB 3.3Å; D295-T322 WeakPolarHBondContact OD2-CB 3.31Å; D295-T322 PolarHBondContact OD2-OG1 3Å; D295-R347 VanDerWaalsContact CG-NE 3.32Å; D295-R347 IonicContact OD1-CZ 2.87Å; D295-R347 VanDerWaalsContact OD1-CZ 3.29Å; D295-R347 IonicContact OD1-NE 3.68Å; D295-R347 PolarHBondContact OD1-NE 2.77Å; D295-R347 IonicContact OD1-NH2 2.72Å; D295-R347 PolarHBondContact OD1-NH2 2.76Å; D295-R347 IonicContact OD2-CZ 2.66Å; D295-R347 IonicContact OD2-NE 2.66Å; D295-R347 PolarHBondContact OD2-NE 3.31Å; D295-R347 IonicContact OD2-NH2 2.81Å
296	N	96.1	Very high	95.9	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	43.5	-172.8	-67.4	-88.2	0	0	0	112.5	I44 N50 L298 R339	I44-N296 HydrophobicContact CD1-CB 4.24Å; I44-N296 HydrophobicContact CG1-CB 3.79Å; N50-N296 VanDerWaalsContact CB-OD1 3.3Å; N50-N296 WeakPolarHBondContact CB-OD1 3.43Å; N50-N296 PolarHBondContact ND2-OD1 2.94Å; N50-N296 VanDerWaalsContact ND2-OD1 3.07Å; N50-N296 PolarHBondContact O-N 2.84Å; N296-L298 PolarHBondContact O-N 3.46Å; N296-R339 PolarHBondContact O-NH1 3.07Å
297	D	95.8	Very high	95.3	Very high	14 Å²	14	14.6 Å²	14.6	8%	0.075	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	2.1	-177.1	-48.3	-51.9	0	0	0	115.8	Y179 Q222 D295 P336 R339	Y179-D297 WeakPolarHBondContact CE1-OD1 3.35Å; Y179-D297 PolarHBondContact OH-OD1 2.9Å; Q222-D297 PolarHBondContact NE2-O 2.86Å; D295-D297 PolarHBondContact O-N 3.47Å; D297-P336 HydrophobicContact CB-CG 3.89Å; D297-R339 IonicContact OD2-CZ 3.77Å; D297-R339 IonicContact OD2-NH1 2.84Å; D297-R339 PolarHBondContact OD2-NH1 2.99Å; D297-R339 IonicContact OD2-NH2 3.79Å
298	L	95.9	Very high	94.2	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	135.5	168	-61.8	171.3	0	0	0	109.6	I44 V294 D295 N296 E335 I340	I44-L298 HydrophobicContact CD1-CD1 3.65Å; V294-L298 WeakPolarHBondContact CA-O 3.47Å; D295-L298 PolarHBondContact N-O 3.38Å; D295-L298 WeakPolarHBondContact O-CB 3.47Å; D295-L298 PolarHBondContact O-N 3.01Å; D295-L298 VanDerWaalsContact O-N 3.08Å; N296-L298 PolarHBondContact O-N 3.46Å; L298-E335 HydrophobicContact CD2-CB 4.3Å; L298-E335 HydrophobicContact CD2-CG 4.02Å; L298-I340 HydrophobicContact CD1-CD1 4.06Å; L298-I340 HydrophobicContact CD1-CG1 3.62Å
299	V	97.2	Very high	92.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.1	-175.9	-173.8	0	0	0	0	110.8	Q222 F224 F250 W278 V292 A293 V294 K325 E335	Q222-V299 HydrophobicContact CG-CG2 4.35Å; F224-V299 HydrophobicContact CE1-CG1 3.9Å; F224-V299 HydrophobicContact CE1-CG2 4.39Å; F224-V299 HydrophobicContact CZ-CG1 4.02Å; F224-V299 HydrophobicContact CZ-CG2 3.99Å; F250-V299 HydrophobicContact CD1-CB 4.05Å; F250-V299 HydrophobicContact CD1-CG1 3.96Å; F250-V299 HydrophobicContact CD1-CG2 4Å; F250-V299 HydrophobicContact CD2-CB 4.44Å; F250-V299 HydrophobicContact CD2-CG2 3.93Å; F250-V299 HydrophobicContact CE1-CB 3.6Å; F250-V299 HydrophobicContact CE1-CG1 3.64Å; F250-V299 HydrophobicContact CE1-CG2 4.03Å; F250-V299 HydrophobicContact CE2-CB 4Å; F250-V299 HydrophobicContact CE2-CG2 3.91Å; F250-V299 HydrophobicContact CG-CB 4.48Å; F250-V299 HydrophobicContact CG-CG2 3.99Å; F250-V299 HydrophobicContact CZ-CB 3.59Å; F250-V299 HydrophobicContact CZ-CG1 4.16Å; F250-V299 HydrophobicContact CZ-CG2 4Å; W278-V299 HydrophobicContact CH2-CG1 3.94Å; V292-V299 HydrophobicContact CG1-CG1 3.66Å; A293-V299 WeakPolarHBondContact O-CA 3.5Å; V294-V299 HydrophobicContact CG2-CG2 4.34Å; V299-K325 WeakPolarHBondContact O-CD 3.5Å; V299-K325 WeakPolarHBondContact O-CE 3.45Å; V299-K325 PolarHBondContact O-NZ 2.82Å; V299-E335 PolarHBondContact N-OE2 3.05Å
300	S	97.6	Very high	91.3	Very high	7 Å²	7	24.9 Å²	24.9	5%	0.049	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150.9	176.3	-66	0	0	0	0	110	V292 A293	V292-S300 CarbonylContact C-O 3.58Å; V292-S300 WeakPolarHBondContact CA-O 3.43Å; A293-S300 PolarHBondContact N-O 3.42Å; A293-S300 PolarHBondContact O-N 2.89Å
301	F	97.5	Very high	89.6	Confident	26 Å²	26	28.2 Å²	28.2	11%	0.114	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.5	178.4	76.5	-82.8	0	0	0	112.5	Y268 W278 R290 I291 V292 D303 L320 F329	Y268-F301 HydrophobicContact CD2-CZ 4.14Å; Y268-F301 HydrophobicContact CE1-CE2 4.3Å; Y268-F301 HydrophobicContact CE2-CE2 4.18Å; Y268-F301 HydrophobicContact CE2-CZ 4.14Å; Y268-F301 HydrophobicContact CG-CZ 4.35Å; W278-F301 HydrophobicContact CD2-CE1 4.46Å; W278-F301 AromaticContact CE2-CD1 3.97Å; W278-F301 AromaticContact CE2-CE1 3.72Å; W278-F301 HydrophobicContact CH2-CB 4.44Å; W278-F301 AromaticContact CH2-CD1 3.65Å; W278-F301 HydrophobicContact CH2-CD1 3.65Å; W278-F301 HydrophobicContact CH2-CE1 4.22Å; W278-F301 HydrophobicContact CH2-CG 4.24Å; W278-F301 AromaticContact CZ2-CD1 3.51Å; W278-F301 HydrophobicContact CZ2-CD1 3.51Å; W278-F301 AromaticContact CZ2-CE1 3.6Å; W278-F301 HydrophobicContact CZ2-CE1 3.6Å; W278-F301 HydrophobicContact CZ2-CG 4.41Å; W278-F301 HydrophobicContact CZ3-CB 4.45Å; W278-F301 HydrophobicContact CZ3-CD1 4.23Å; W278-F301 HydrophobicContact CZ3-CG 4.41Å; W278-F301 AromaticContact NE1-CE1 3.93Å; R290-F301 HydrophobicContact CG-CB 4.26Å; R290-F301 HydrophobicContact CG-CD2 4.15Å; I291-F301 CarbonylContact O-C 3.57Å; I291-F301 WeakPolarHBondContact O-CA 3.49Å; I291-F301 WeakPolarHBondContact O-CB 3.45Å; V292-F301 HydrophobicContact CB-CB 4.44Å; V292-F301 HydrophobicContact CG2-CB 4Å; F301-D303 WeakPolarHBondContact CD2-OD1 2.9Å; F301-L320 VanDerWaalsContact C-CD1 3.48Å; F301-L320 WeakPolarHBondContact O-CD1 3.31Å; F301-F329 HydrophobicContact CE1-CB 4.32Å; F301-F329 AromaticContact CE1-CD1 3.58Å; F301-F329 HydrophobicContact CE1-CD1 3.58Å; F301-F329 AromaticContact CE1-CD2 3.93Å; F301-F329 HydrophobicContact CE1-CD2 3.93Å; F301-F329 AromaticContact CE1-CE1 3.74Å; F301-F329 HydrophobicContact CE1-CE1 3.74Å; F301-F329 HydrophobicContact CE1-CE2 4.09Å; F301-F329 AromaticContact CE1-CG 3.66Å; F301-F329 HydrophobicContact CE1-CG 3.66Å; F301-F329 AromaticContact CE1-CZ 3.99Å; F301-F329 HydrophobicContact CE1-CZ 3.99Å; F301-F329 AromaticContact CZ-CD1 3.98Å; F301-F329 HydrophobicContact CZ-CD1 3.98Å; F301-F329 HydrophobicContact CZ-CD2 4.39Å; F301-F329 AromaticContact CZ-CE1 3.63Å; F301-F329 HydrophobicContact CZ-CE1 3.63Å; F301-F329 HydrophobicContact CZ-CE2 4.07Å; F301-F329 HydrophobicContact CZ-CG 4.34Å; F301-F329 AromaticContact CZ-CZ 3.67Å; F301-F329 HydrophobicContact CZ-CZ 3.67Å
302	V	95.7	Very high	87.5	Confident	29 Å²	29	33.6 Å²	33.6	18%	0.176	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.1	170	61	0	0	0	0	109.4	R290 I291 V304 I318 L320	R290-V302 CarbonylContact C-O 3.41Å; R290-V302 WeakPolarHBondContact CA-O 3.33Å; I291-V302 HydrophobicContact CB-CG1 4.08Å; I291-V302 PolarHBondContact N-O 3.36Å; I291-V302 PolarHBondContact O-N 2.92Å; V302-V304 HydrophobicContact CG1-CG2 4.03Å; V302-V304 HydrophobicContact CG2-CG2 4.11Å; V302-I318 HydrophobicContact CG1-CG2 4.21Å; V302-L320 HydrophobicContact CB-CD1 4.18Å; V302-L320 HydrophobicContact CG1-CB 4.08Å; V302-L320 HydrophobicContact CG1-CD1 4.37Å; V302-L320 HydrophobicContact CG1-CD2 4.41Å
303	D	94.8	Very high	85.3	Confident	34 Å²	34	39.1 Å²	39.1	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.8	169.1	-70	14.8	0	0	0	107.4	Y268 L280 R290 F301	Y268-D303 VanDerWaalsContact CE1-OD2 3.32Å; Y268-D303 WeakPolarHBondContact CE1-OD2 3.3Å; Y268-D303 VanDerWaalsContact CZ-OD2 3.26Å; Y268-D303 PolarHBondContact OH-OD2 2.89Å; L280-D303 HydrophobicContact CD1-CB 4.42Å; L280-D303 WeakPolarHBondContact CD1-OD2 3.13Å; R290-D303 WeakPolarHBondContact CG-OD1 3.5Å; R290-D303 IonicContact CZ-OD1 2.65Å; R290-D303 IonicContact CZ-OD2 3.41Å; R290-D303 IonicContact NE-OD1 3.63Å; R290-D303 PolarHBondContact NE-OD1 2.95Å; R290-D303 IonicContact NE-OD2 2.81Å; R290-D303 IonicContact NH2-OD1 3.7Å; R290-D303 PolarHBondContact NH2-OD1 3.05Å; R290-D303 IonicContact NH2-OD2 3.84Å; R290-D303 PolarHBondContact NH2-OD2 3.04Å; F301-D303 WeakPolarHBondContact CD2-OD1 2.9Å
304	V	94.2	Very high	83.5	Confident	6 Å²	6	42.6 Å²	42.6	4%	0.036	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.6	-172.9	-176.4	0	0	0	0	108.5	Y288 F289 V302 I318	Y288-V304 WeakPolarHBondContact CA-O 3.37Å; F289-V304 HydrophobicContact CD1-CB 4.19Å; F289-V304 HydrophobicContact CD1-CG1 4.5Å; F289-V304 HydrophobicContact CD2-CB 4.38Å; F289-V304 HydrophobicContact CE1-CB 3.64Å; F289-V304 HydrophobicContact CE1-CG1 3.56Å; F289-V304 HydrophobicContact CE2-CB 3.86Å; F289-V304 HydrophobicContact CE2-CG1 4.29Å; F289-V304 HydrophobicContact CE2-CG2 4.15Å; F289-V304 HydrophobicContact CZ-CB 3.47Å; F289-V304 VanDerWaalsContact CZ-CB 3.47Å; F289-V304 HydrophobicContact CZ-CG1 3.43Å; F289-V304 VanDerWaalsContact CZ-CG1 3.43Å; F289-V304 HydrophobicContact CZ-CG2 4.11Å; F289-V304 PolarHBondContact N-O 2.9Å; F289-V304 PolarHBondContact O-N 2.77Å; V302-V304 HydrophobicContact CG1-CG2 4.03Å; V302-V304 HydrophobicContact CG2-CG2 4.11Å; V304-I318 HydrophobicContact CG1-CD1 3.95Å; V304-I318 HydrophobicContact CG1-CG1 4.05Å; V304-I318 HydrophobicContact CG2-CD1 4.34Å; V304-I318 HydrophobicContact CG2-CG1 4.4Å; V304-I318 HydrophobicContact CG2-CG2 3.76Å
305	R	92	Very high	82.2	Confident	95 Å²	95	47.3 Å²	47.3	36%	0.358	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.9	171.8	-170	172.3	-176.1	-145.8	-1	109.3	N286 Y288 F307 E315	N286-R305 VanDerWaalsContact O-CG 3.28Å; N286-R305 WeakPolarHBondContact O-CG 3.37Å; N286-R305 PolarHBondContact O-NE 2.81Å; N286-R305 VanDerWaalsContact O-NE 3.11Å; Y288-R305 HydrophobicContact CD1-CB 4.09Å; Y288-R305 HydrophobicContact CE1-CB 3.86Å; Y288-R305 HydrophobicContact CE1-CG 4.32Å; R305-F307 HydrophobicContact CB-CE2 3.89Å; R305-F307 HydrophobicContact CB-CZ 4.32Å; R305-F307 HydrophobicContact CG-CE2 4.14Å; R305-F307 HydrophobicContact CG-CZ 4.25Å; R305-F307 VanDerWaalsContact O-CD2 3.22Å; R305-F307 WeakPolarHBondContact O-CD2 3.31Å; R305-F307 WeakPolarHBondContact O-CE2 3.43Å; R305-F307 PolarHBondContact O-N 3.45Å; R305-E315 PolarHBondContact N-OE2 2.91Å
306	K	90.2	Very high	81.9	Confident	7 Å²	7	47.5 Å²	47.5	3%	0.03	25%	0.251	C	S	.	.			trans	-68.5	131.9	168.3	173.8	-174.9	-177.3	-60.1	0	108.7	D73 E76 F77 Y81 W283 R287 F289	D73-K306 HydrophobicContact CB-CD 4.22Å; D73-K306 VanDerWaalsContact O-CE 3.29Å; D73-K306 WeakPolarHBondContact O-CE 3.21Å; D73-K306 IonicContact OD1-NZ 2.7Å; D73-K306 PolarHBondContact OD1-NZ 3.01Å; E76-K306 IonicContact OE1-NZ 3.5Å; E76-K306 WeakPolarHBondContact OE2-CE 3.27Å; E76-K306 IonicContact OE2-NZ 2.92Å; E76-K306 PolarHBondContact OE2-NZ 3Å; F77-K306 HydrophobicContact CB-CD 4.33Å; Y81-K306 HydrophobicContact CE1-CG 4.47Å; Y81-K306 HydrophobicContact CE2-CG 4.23Å; W283-K306 HydrophobicContact CH2-CB 4.32Å; W283-K306 HydrophobicContact CH2-CD 3.57Å; W283-K306 HydrophobicContact CZ2-CD 4.23Å; W283-K306 HydrophobicContact CZ3-CB 4.4Å; W283-K306 HydrophobicContact CZ3-CD 4.44Å; R287-K306 HydrophobicContact CB-CB 4Å; R287-K306 PolarHBondContact O-N 3.41Å; F289-K306 HydrophobicContact CE1-CB 4.43Å
307	F	80	Confident	81.8	Confident	28 Å²	28	47.7 Å²	47.7	12%	0.123	25%	0.252	C	S	.	.			trans	-105.9	158.1	167.1	-68.9	-90.6	0	0	0	109.7	R305 D311 N313 E315	R305-F307 HydrophobicContact CB-CE2 3.89Å; R305-F307 HydrophobicContact CB-CZ 4.32Å; R305-F307 HydrophobicContact CG-CE2 4.14Å; R305-F307 HydrophobicContact CG-CZ 4.25Å; R305-F307 VanDerWaalsContact O-CD2 3.22Å; R305-F307 WeakPolarHBondContact O-CD2 3.31Å; R305-F307 WeakPolarHBondContact O-CE2 3.43Å; R305-F307 PolarHBondContact O-N 3.45Å; F307-D311 HydrophobicContact CB-CB 4.22Å; F307-N313 WeakPolarHBondContact CD1-O 3.29Å; F307-N313 WeakPolarHBondContact CD2-O 3.15Å; F307-N313 HydrophobicContact CE1-CB 4.37Å; F307-N313 VanDerWaalsContact CG-O 3.27Å; F307-N313 WeakPolarHBondContact CG-O 3.4Å; F307-E315 HydrophobicContact CD2-CB 4.29Å; F307-E315 HydrophobicContact CD2-CG 4.31Å; F307-E315 HydrophobicContact CE2-CB 4.13Å; F307-E315 HydrophobicContact CE2-CG 3.67Å
308	S	70.9	Confident	81.8	Confident	52 Å²	52	47.4 Å²	47.4	36%	0.364	25%	0.251	S	S	.	.			trans	-64.3	145.5	169.3	-177	0	0	0	0	109.4	N310 D311	S308-N310 PolarHBondContact O-N 3.08Å; S308-D311 VanDerWaalsContact O-CB 3.31Å; S308-D311 WeakPolarHBondContact O-CB 3.39Å; S308-D311 PolarHBondContact O-N 3.21Å
309	L	65.8	Low	81.9	Confident	64 Å²	64	47.5 Å²	47.5	34%	0.335	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20	174.8	-70.7	166.3	0	0	0	113.3	E76 K314 L353	E76-L309 HydrophobicContact CG-CD1 4.2Å; E76-L309 VanDerWaalsContact OE1-CD1 3.31Å; E76-L309 WeakPolarHBondContact OE1-CD1 3.34Å; E76-L309 WeakPolarHBondContact OE1-CG 3.38Å; L309-K314 WeakPolarHBondContact O-CE 3.31Å; L309-K314 PolarHBondContact O-NZ 3.14Å; L309-L353 HydrophobicContact CD2-CD1 3.65Å
310	N	63.6	Low	82	Confident	157 Å²	157	47.8 Å²	47.8	84%	0.84	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-9.6	177.4	-63.2	-19.5	0	0	0	112.9	S308	S308-N310 PolarHBondContact O-N 3.08Å
311	D	63.4	Low	82	Confident	70 Å²	70	47.4 Å²	47.4	37%	0.374	25%	0.25	S	S	.	.			trans	-77.2	134.7	178.1	-146.6	-20.9	0	0	0	109.5	F307 S308 N313 K314	F307-D311 HydrophobicContact CB-CB 4.22Å; S308-D311 VanDerWaalsContact O-CB 3.31Å; S308-D311 WeakPolarHBondContact O-CB 3.39Å; S308-D311 PolarHBondContact O-N 3.21Å; D311-N313 VanDerWaalsContact C-N 3.28Å; D311-K314 VanDerWaalsContact O-CE 3.28Å; D311-K314 WeakPolarHBondContact O-CE 3.28Å; D311-K314 VanDerWaalsContact O-CG 3.25Å; D311-K314 WeakPolarHBondContact O-CG 3.29Å
312	S	53.2	Low	82	Confident	113 Å²	113	46.2 Å²	46.2	79%	0.79	25%	0.245	S	C	*	.	S	Bend	trans	-76.8	-18.3	-179.4	51.2	0	0	0	0	112.4	K314	S312-K314 VanDerWaalsContact C-N 3.28Å; S312-K314 PolarHBondContact O-N 3.25Å; S312-K314 VanDerWaalsContact O-N 3.14Å
313	N	54	Low	82.1	Confident	116 Å²	116	44.9 Å²	44.9	62%	0.62	24%	0.237	S	C	*	.			trans	-86	57.5	175.6	-83.7	-18.2	0	0	0	112.1	F307 D311 E315	F307-N313 WeakPolarHBondContact CD1-O 3.29Å; F307-N313 WeakPolarHBondContact CD2-O 3.15Å; F307-N313 HydrophobicContact CE1-CB 4.37Å; F307-N313 VanDerWaalsContact CG-O 3.27Å; F307-N313 WeakPolarHBondContact CG-O 3.4Å; D311-N313 VanDerWaalsContact C-N 3.28Å; N313-E315 PolarHBondContact O-N 2.85Å
314	K	60.4	Low	82.2	Confident	73 Å²	73	43.3 Å²	43.3	32%	0.317	23%	0.229	S	C	.	.			trans	-74.3	118.4	177.5	-62.5	-175.8	-178.9	179.4	0	110.3	L309 D311 S312 W316	L309-K314 WeakPolarHBondContact O-CE 3.31Å; L309-K314 PolarHBondContact O-NZ 3.14Å; D311-K314 VanDerWaalsContact O-CE 3.28Å; D311-K314 WeakPolarHBondContact O-CE 3.28Å; D311-K314 VanDerWaalsContact O-CG 3.25Å; D311-K314 WeakPolarHBondContact O-CG 3.29Å; S312-K314 VanDerWaalsContact C-N 3.28Å; S312-K314 PolarHBondContact O-N 3.25Å; S312-K314 VanDerWaalsContact O-N 3.14Å; K314-W316 PolarHBondContact O-N 3.46Å
315	E	71.8	Confident	82.2	Confident	99 Å²	99	43.1 Å²	43.1	46%	0.463	23%	0.227	S	C	.	.			trans	-73.1	31.6	166.2	-83.5	-177.6	-177.3	0	0	112.7	R305 F307 N313 P317	R305-E315 PolarHBondContact N-OE2 2.91Å; F307-E315 HydrophobicContact CD2-CB 4.29Å; F307-E315 HydrophobicContact CD2-CG 4.31Å; F307-E315 HydrophobicContact CE2-CB 4.13Å; F307-E315 HydrophobicContact CE2-CG 3.67Å; N313-E315 PolarHBondContact O-N 2.85Å; E315-P317 CarbonylContact O-C 3.55Å
316	W	89.4	Confident	82.3	Confident	6 Å²	6	40 Å²	40	2%	0.023	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-96.1	139.2	166.9	-68.7	110.3	0	0	0	108.5	Y81 V84 K314 I318 W351 S352 L353 N415	Y81-W316 AromaticContact CD1-CH2 3.94Å; Y81-W316 HydrophobicContact CD1-CH2 3.94Å; Y81-W316 AromaticContact CD1-CZ2 3.48Å; Y81-W316 HydrophobicContact CD1-CZ2 3.48Å; Y81-W316 VanDerWaalsContact CD1-CZ2 3.48Å; Y81-W316 HydrophobicContact CD2-CZ2 4.12Å; Y81-W316 AromaticContact CE1-CE2 3.8Å; Y81-W316 HydrophobicContact CE1-CH2 4.1Å; Y81-W316 AromaticContact CE1-CZ2 3.3Å; Y81-W316 HydrophobicContact CE1-CZ2 3.3Å; Y81-W316 AromaticContact CE2-CZ2 3.95Å; Y81-W316 HydrophobicContact CE2-CZ2 3.95Å; Y81-W316 HydrophobicContact CG-CH2 4.39Å; Y81-W316 AromaticContact CG-CZ2 3.88Å; Y81-W316 HydrophobicContact CG-CZ2 3.88Å; Y81-W316 AromaticContact CZ-CE2 3.78Å; Y81-W316 AromaticContact CZ-CZ2 3.54Å; Y81-W316 AromaticContact CZ-NE1 3.55Å; Y81-W316 PolarHBondContact OH-NE1 3.36Å; Y81-W316 VanDerWaalsContact OH-NE1 3.16Å; V84-W316 HydrophobicContact CG1-CH2 4.1Å; V84-W316 HydrophobicContact CG1-CZ3 4.22Å; K314-W316 PolarHBondContact O-N 3.46Å; W316-I318 HydrophobicContact CE3-CB 4.48Å; W316-I318 HydrophobicContact CE3-CD1 3.96Å; W316-I318 HydrophobicContact CE3-CG1 3.75Å; W316-I318 HydrophobicContact CH2-CD1 3.73Å; W316-I318 HydrophobicContact CH2-CG1 4.44Å; W316-I318 HydrophobicContact CZ2-CD1 4.4Å; W316-I318 HydrophobicContact CZ3-CB 4.41Å; W316-I318 HydrophobicContact CZ3-CD1 3.45Å; W316-I318 VanDerWaalsContact CZ3-CD1 3.45Å; W316-I318 HydrophobicContact CZ3-CG1 3.74Å; W316-W351 VanDerWaalsContact CE3-O 3.26Å; W316-W351 HydrophobicContact CZ3-CB 3.99Å; W316-W351 WeakPolarHBondContact CZ3-O 3.29Å; W316-S352 VanDerWaalsContact CE3-CA 3.45Å; W316-L353 HydrophobicContact CD2-CG 4.07Å; W316-L353 HydrophobicContact CG-CG 4.4Å; W316-L353 HydrophobicContact CH2-CD2 3.96Å; W316-L353 HydrophobicContact CH2-CG 4.38Å; W316-L353 HydrophobicContact CZ2-CD1 4.32Å; W316-L353 HydrophobicContact CZ2-CD2 3.47Å; W316-L353 VanDerWaalsContact CZ2-CD2 3.47Å; W316-L353 HydrophobicContact CZ2-CG 3.7Å; W316-N415 VanDerWaalsContact O-CB 3.28Å; W316-N415 WeakPolarHBondContact O-CB 3.38Å
317	P	94.6	Very high	82.3	Confident	4 Å²	4	39.6 Å²	39.6	3%	0.026	22%	0.216	C	C	.	.	S	Bend	cis	-71.3	147.5	-6.3	-20.9	35.9	0	0	0	114.4	E315 V350 W351 I356 A409 D411	E315-P317 CarbonylContact O-C 3.55Å; P317-V350 HydrophobicContact CB-CG1 3.78Å; P317-W351 CarbonylContact C-O 3.51Å; P317-W351 VanDerWaalsContact CA-O 3.22Å; P317-W351 WeakPolarHBondContact CA-O 3.34Å; P317-W351 WeakPolarHBondContact CB-O 3.46Å; P317-I356 HydrophobicContact CB-CD1 3.75Å; P317-I356 HydrophobicContact CG-CD1 3.62Å; P317-A409 HydrophobicContact CB-CB 4.01Å; P317-A409 HydrophobicContact CG-CB 3.97Å; P317-D411 HydrophobicContact CG-CB 4.25Å
318	I	96.1	Very high	82.7	Confident	8 Å²	8	39.7 Å²	39.7	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129	167.5	-59.6	168.7	0	0	0	107.8	F289 I291 V302 V304 W316 V350 W351	F289-I318 HydrophobicContact CE2-CD1 4.41Å; F289-I318 HydrophobicContact CZ-CD1 3.89Å; I291-I318 HydrophobicContact CD1-CD1 4.41Å; I291-I318 HydrophobicContact CD1-CG2 3.95Å; V302-I318 HydrophobicContact CG1-CG2 4.21Å; V304-I318 HydrophobicContact CG1-CD1 3.95Å; V304-I318 HydrophobicContact CG1-CG1 4.05Å; V304-I318 HydrophobicContact CG2-CD1 4.34Å; V304-I318 HydrophobicContact CG2-CG1 4.4Å; V304-I318 HydrophobicContact CG2-CG2 3.76Å; W316-I318 HydrophobicContact CE3-CB 4.48Å; W316-I318 HydrophobicContact CE3-CD1 3.96Å; W316-I318 HydrophobicContact CE3-CG1 3.75Å; W316-I318 HydrophobicContact CH2-CD1 3.73Å; W316-I318 HydrophobicContact CH2-CG1 4.44Å; W316-I318 HydrophobicContact CZ2-CD1 4.4Å; W316-I318 HydrophobicContact CZ3-CB 4.41Å; W316-I318 HydrophobicContact CZ3-CD1 3.45Å; W316-I318 VanDerWaalsContact CZ3-CD1 3.45Å; W316-I318 HydrophobicContact CZ3-CG1 3.74Å; I318-V350 WeakPolarHBondContact O-CA 3.3Å; I318-W351 HydrophobicContact CB-CB 4.46Å; I318-W351 HydrophobicContact CB-CE3 4.23Å; I318-W351 HydrophobicContact CG2-CE3 3.95Å; I318-W351 HydrophobicContact CG2-CZ3 4.35Å; I318-W351 PolarHBondContact N-O 3.4Å; I318-W351 PolarHBondContact O-N 2.68Å
319	I	97.8	Very high	83.7	Confident	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.1	-176.3	-57	167.8	0	0	0	109.3	I321 I348 L349 V350 V407 A409 G417 V419	I319-I321 HydrophobicContact CG2-CG1 4.45Å; I319-I348 HydrophobicContact CG2-CG2 3.68Å; I319-L349 WeakPolarHBondContact CA-O 3.43Å; I319-V350 HydrophobicContact CG1-CG1 4.38Å; I319-V407 HydrophobicContact CD1-CG1 4.49Å; I319-V407 HydrophobicContact CG2-CB 4.18Å; I319-V407 HydrophobicContact CG2-CG1 3.82Å; I319-A409 HydrophobicContact CD1-CB 3.61Å; I319-A409 HydrophobicContact CG1-CB 3.9Å; I319-G417 WeakPolarHBondContact CD1-O 3.38Å; I319-V419 HydrophobicContact CB-CB 4.27Å; I319-V419 HydrophobicContact CB-CG2 3.77Å; I319-V419 HydrophobicContact CG2-CB 4.14Å; I319-V419 HydrophobicContact CG2-CG2 4.19Å
320	L	98.3	Very high	84.8	Confident	5 Å²	5	36 Å²	36	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	109.8	172.6	175	56.4	0	0	0	109.9	A293 F301 V302 T322 I348 L349 W351	A293-L320 HydrophobicContact CB-CD2 3.64Å; F301-L320 VanDerWaalsContact C-CD1 3.48Å; F301-L320 WeakPolarHBondContact O-CD1 3.31Å; V302-L320 HydrophobicContact CB-CD1 4.18Å; V302-L320 HydrophobicContact CG1-CB 4.08Å; V302-L320 HydrophobicContact CG1-CD1 4.37Å; V302-L320 HydrophobicContact CG1-CD2 4.41Å; L320-T322 HydrophobicContact CD2-CG2 4.48Å; L320-T322 HydrophobicContact CG-CG2 4.15Å; L320-T322 PolarHBondContact O-N 3.41Å; L320-I348 CarbonylContact O-C 3.42Å; L320-I348 WeakPolarHBondContact O-CA 3.32Å; L320-L349 HydrophobicContact CB-CB 4.34Å; L320-L349 HydrophobicContact CD2-CD1 4.42Å; L320-L349 PolarHBondContact N-O 2.95Å; L320-L349 PolarHBondContact O-N 2.95Å; L320-W351 HydrophobicContact CB-CZ3 4.04Å; L320-W351 HydrophobicContact CD2-CH2 4.5Å
321	I	98.6	Very high	86.1	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	109.3	176.3	-54.2	170.6	0	0	0	108.3	I319 I348 I405 V407 V419 Q421	I319-I321 HydrophobicContact CG2-CG1 4.45Å; I321-I348 HydrophobicContact CG1-CG2 4.47Å; I321-I405 HydrophobicContact CD1-CG1 4.41Å; I321-I405 HydrophobicContact CD1-CG2 3.9Å; I321-I405 HydrophobicContact CG2-CD1 4.25Å; I321-I405 HydrophobicContact CG2-CG2 4.41Å; I321-V407 HydrophobicContact CD1-CB 4Å; I321-V407 HydrophobicContact CD1-CG2 3.5Å; I321-V407 VanDerWaalsContact CD1-CG2 3.5Å; I321-V407 HydrophobicContact CG1-CB 4.25Å; I321-V407 HydrophobicContact CG1-CG2 3.79Å; I321-V419 HydrophobicContact CD1-CG1 4.05Å; I321-V419 HydrophobicContact CG1-CG1 4.45Å; I321-Q421 HydrophobicContact CD1-CG 4.05Å; I321-Q421 PolarHBondContact O-NE2 3.42Å
322	T	98.2	Very high	87.1	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-35.8	-177.4	57	0	0	0	0	112.4	A293 D295 L320 K325 R347 L349	A293-T322 HydrophobicContact CB-CG2 3.87Å; D295-T322 HydrophobicContact CB-CG2 4.23Å; D295-T322 VanDerWaalsContact OD2-CB 3.3Å; D295-T322 WeakPolarHBondContact OD2-CB 3.31Å; D295-T322 PolarHBondContact OD2-OG1 3Å; L320-T322 HydrophobicContact CD2-CG2 4.48Å; L320-T322 HydrophobicContact CG-CG2 4.15Å; L320-T322 PolarHBondContact O-N 3.41Å; T322-K325 PolarHBondContact O-N 3.07Å; T322-R347 PolarHBondContact N-O 3.4Å; T322-R347 WeakPolarHBondContact OG1-CB 3.49Å; T322-R347 PolarHBondContact OG1-O 3.2Å; T322-R347 VanDerWaalsContact OG1-O 3.11Å; T322-L349 HydrophobicContact CG2-CD1 3.8Å; T322-L349 HydrophobicContact CG2-CG 4.15Å
323	N	97.7	Very high	88.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.8	172.3	-170.5	59.9	0	0	0	110.5	I44 I340 S343 H345 I346 R347	I44-N323 HydrophobicContact CG2-CB 4.32Å; N323-I340 WeakPolarHBondContact OD1-CG1 3.27Å; N323-S343 VanDerWaalsContact ND2-CB 3.32Å; N323-S343 WeakPolarHBondContact ND2-CB 3.24Å; N323-S343 PolarHBondContact ND2-OG 3.32Å; N323-H345 PolarHBondContact ND2-O 3.03Å; N323-I346 CarbonylContact O-C 3.58Å; N323-I346 VanDerWaalsContact O-CA 3.27Å; N323-I346 WeakPolarHBondContact O-CA 3.02Å; N323-I346 WeakPolarHBondContact O-CG2 2.93Å; N323-R347 HydrophobicContact CB-CB 3.93Å; N323-R347 HydrophobicContact CB-CG 4.29Å; N323-R347 PolarHBondContact N-O 3.12Å; N323-R347 VanDerWaalsContact N-O 3.1Å; N323-R347 PolarHBondContact O-N 3.16Å
324	P	96	Very high	90.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.117	C	C	.	.	S	Bend	cis	-73.9	136.4	-2.3	31.8	-35.9	0	0	0	112.1	I340 W390 I405 Q421 F423	P324-I340 HydrophobicContact CB-CG2 3.73Å; P324-W390 HydrophobicContact CB-CH2 3.79Å; P324-W390 HydrophobicContact CB-CZ2 4.47Å; P324-W390 HydrophobicContact CG-CH2 3.72Å; P324-W390 HydrophobicContact CG-CZ3 4Å; P324-I405 HydrophobicContact CG-CD1 4.34Å; P324-Q421 PolarHBondContact O-NE2 3.21Å; P324-F423 HydrophobicContact CB-CB 3.72Å; P324-F423 HydrophobicContact CB-CD1 4.47Å; P324-F423 HydrophobicContact CB-CD2 3.57Å; P324-F423 HydrophobicContact CB-CE2 4.28Å; P324-F423 HydrophobicContact CB-CG 3.68Å; P324-F423 HydrophobicContact CG-CB 3.8Å; P324-F423 HydrophobicContact CG-CD1 3.69Å; P324-F423 HydrophobicContact CG-CD2 3.53Å; P324-F423 HydrophobicContact CG-CE1 4.08Å; P324-F423 HydrophobicContact CG-CE2 3.94Å; P324-F423 HydrophobicContact CG-CG 3.39Å; P324-F423 HydrophobicContact CG-CZ 4.19Å
325	K	94.6	Very high	92	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-62.6	148.2	178.8	174.3	172.2	168.1	177.3	0	111.4	V299 T322 A327 F329 L330 E335 I340	V299-K325 WeakPolarHBondContact O-CD 3.5Å; V299-K325 WeakPolarHBondContact O-CE 3.45Å; V299-K325 PolarHBondContact O-NZ 2.82Å; T322-K325 PolarHBondContact O-N 3.07Å; K325-A327 PolarHBondContact O-N 3.38Å; K325-F329 WeakPolarHBondContact CE-O 3.38Å; K325-F329 PolarHBondContact NZ-O 3.41Å; K325-L330 HydrophobicContact CB-CD2 4.48Å; K325-L330 HydrophobicContact CD-CD2 3.97Å; K325-L330 HydrophobicContact CG-CD2 4.13Å; K325-E335 IonicContact NZ-OE1 3.93Å; K325-E335 PolarHBondContact NZ-OE1 3.26Å; K325-E335 IonicContact NZ-OE2 2.72Å; K325-E335 PolarHBondContact NZ-OE2 3.27Å; K325-I340 HydrophobicContact CB-CD1 3.89Å
326	N	93.5	Very high	92.9	Very high	29 Å²	29	19 Å²	19	16%	0.155	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-59	119.6	175.3	-170.4	-28.2	0	0	0	110.9	N328 F329 Q421 S422	N326-N328 PolarHBondContact O-N 3.03Å; N326-N328 VanDerWaalsContact OD1-CB 3.3Å; N326-N328 WeakPolarHBondContact OD1-CB 3.21Å; N326-N328 PolarHBondContact OD1-N 3.25Å; N326-N328 PolarHBondContact OD1-ND2 2.91Å; N326-F329 HydrophobicContact CB-CD2 4.1Å; N326-F329 PolarHBondContact O-N 3.16Å; N326-F329 VanDerWaalsContact O-N 3.09Å; N326-Q421 HydrophobicContact CB-CB 4.24Å; N326-Q421 HydrophobicContact CB-CG 4.32Å; N326-Q421 VanDerWaalsContact N-NE2 3.13Å; N326-S422 CarbonylContact C-O 3.6Å; N326-S422 WeakPolarHBondContact CA-O 3.43Å; N326-S422 PolarHBondContact OD1-O 2.73Å
327	A	91.3	Very high	92.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-58.7	-20.1	-178.9	0	0	0	0	0	113.2	K325 F329 L330 F402 S422	K325-A327 PolarHBondContact O-N 3.38Å; A327-F329 VanDerWaalsContact C-N 3.28Å; A327-F329 PolarHBondContact O-N 2.73Å; A327-L330 HydrophobicContact CB-CD1 4.39Å; A327-F402 HydrophobicContact CB-CD1 4.04Å; A327-F402 HydrophobicContact CB-CE1 3.92Å; A327-S422 PolarHBondContact N-O 3.46Å
328	N	87.8	Confident	92.6	Very high	30 Å²	30	20.9 Å²	20.9	16%	0.16	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-76.2	-15.8	-179.2	-61.8	-29.6	0	0	0	114.7	W276 N326 S422 V430 Y431 P432	W276-N328 WeakPolarHBondContact CH2-O 2.77Å; W276-N328 WeakPolarHBondContact CZ2-O 3Å; N326-N328 PolarHBondContact O-N 3.03Å; N326-N328 VanDerWaalsContact OD1-CB 3.3Å; N326-N328 WeakPolarHBondContact OD1-CB 3.21Å; N326-N328 PolarHBondContact OD1-N 3.25Å; N326-N328 PolarHBondContact OD1-ND2 2.91Å; N328-S422 PolarHBondContact ND2-OG 2.98Å; N328-V430 WeakPolarHBondContact CA-O 3.27Å; N328-V430 PolarHBondContact OD1-O 3.11Å; N328-Y431 WeakPolarHBondContact O-CD1 3.49Å; N328-P432 HydrophobicContact CB-CG 3.93Å; N328-P432 VanDerWaalsContact CG-CG 3.42Å; N328-P432 VanDerWaalsContact OD1-CD 3.29Å; N328-P432 WeakPolarHBondContact OD1-CD 3.44Å
329	F	90.8	Very high	92.4	Very high	39 Å²	39	21.3 Å²	21.3	17%	0.171	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-121.1	18.5	-174	-60.5	-71.9	0	0	0	113.1	Y268 W276 F301 K325 N326 A327	Y268-F329 AromaticContact CD2-CE1 3.93Å; Y268-F329 HydrophobicContact CD2-CE1 3.93Å; Y268-F329 AromaticContact CD2-CZ 3.97Å; Y268-F329 HydrophobicContact CD2-CZ 3.97Å; Y268-F329 HydrophobicContact CE2-CZ 4.4Å; Y268-F329 HydrophobicContact CG-CE1 4.45Å; W276-F329 HydrophobicContact CE3-CD1 4.44Å; W276-F329 AromaticContact CH2-CD1 3.81Å; W276-F329 HydrophobicContact CH2-CD1 3.81Å; W276-F329 HydrophobicContact CH2-CE1 4.32Å; W276-F329 HydrophobicContact CZ2-CB 4.34Å; W276-F329 AromaticContact CZ2-CD1 3.91Å; W276-F329 HydrophobicContact CZ2-CD1 3.91Å; W276-F329 HydrophobicContact CZ3-CD1 4.09Å; W276-F329 HydrophobicContact CZ3-CE1 4.35Å; W276-F329 PolarHBondContact NE1-O 3.33Å; F301-F329 HydrophobicContact CE1-CB 4.32Å; F301-F329 AromaticContact CE1-CD1 3.58Å; F301-F329 HydrophobicContact CE1-CD1 3.58Å; F301-F329 AromaticContact CE1-CD2 3.93Å; F301-F329 HydrophobicContact CE1-CD2 3.93Å; F301-F329 AromaticContact CE1-CE1 3.74Å; F301-F329 HydrophobicContact CE1-CE1 3.74Å; F301-F329 HydrophobicContact CE1-CE2 4.09Å; F301-F329 AromaticContact CE1-CG 3.66Å; F301-F329 HydrophobicContact CE1-CG 3.66Å; F301-F329 AromaticContact CE1-CZ 3.99Å; F301-F329 HydrophobicContact CE1-CZ 3.99Å; F301-F329 AromaticContact CZ-CD1 3.98Å; F301-F329 HydrophobicContact CZ-CD1 3.98Å; F301-F329 HydrophobicContact CZ-CD2 4.39Å; F301-F329 AromaticContact CZ-CE1 3.63Å; F301-F329 HydrophobicContact CZ-CE1 3.63Å; F301-F329 HydrophobicContact CZ-CE2 4.07Å; F301-F329 HydrophobicContact CZ-CG 4.34Å; F301-F329 AromaticContact CZ-CZ 3.67Å; F301-F329 HydrophobicContact CZ-CZ 3.67Å; K325-F329 WeakPolarHBondContact CE-O 3.38Å; K325-F329 PolarHBondContact NZ-O 3.41Å; N326-F329 HydrophobicContact CB-CD2 4.1Å; N326-F329 PolarHBondContact O-N 3.16Å; N326-F329 VanDerWaalsContact O-N 3.09Å; A327-F329 VanDerWaalsContact C-N 3.28Å; A327-F329 PolarHBondContact O-N 2.73Å
330	L	90	Very high	92.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.			trans	-68.5	137.8	178.7	-66.5	176.8	0	0	0	111.8	K325 A327 E335 F337 A429 Y431	K325-L330 HydrophobicContact CB-CD2 4.48Å; K325-L330 HydrophobicContact CD-CD2 3.97Å; K325-L330 HydrophobicContact CG-CD2 4.13Å; A327-L330 HydrophobicContact CB-CD1 4.39Å; L330-E335 WeakPolarHBondContact CA-OE1 3.3Å; L330-F337 HydrophobicContact CD1-CD2 3.84Å; L330-F337 HydrophobicContact CD1-CE2 3.47Å; L330-F337 VanDerWaalsContact CD1-CE2 3.47Å; L330-F337 HydrophobicContact CD1-CZ 3.99Å; L330-F337 HydrophobicContact CD2-CD2 3.37Å; L330-F337 HydrophobicContact CD2-CE2 3.73Å; L330-F337 HydrophobicContact CD2-CG 4.31Å; L330-F337 HydrophobicContact CG-CD2 4.21Å; L330-F337 HydrophobicContact CG-CE2 4.25Å; L330-A429 HydrophobicContact CB-CB 4.03Å; L330-Y431 PolarHBondContact O-OH 3.14Å
331	L	90.5	Very high	91.8	Very high	12 Å²	12	22.4 Å²	22.4	6%	0.063	10%	0.103	C	C	.	.			trans	-136.5	70.1	172.8	-166.9	58.4	0	0	0	111.2	F250 L270 R333 K334 E335	F250-L331 HydrophobicContact CD2-CB 4.42Å; F250-L331 HydrophobicContact CD2-CD2 4.01Å; F250-L331 HydrophobicContact CE2-CB 3.72Å; F250-L331 HydrophobicContact CE2-CD2 4.04Å; F250-L331 HydrophobicContact CE2-CG 4.45Å; F250-L331 HydrophobicContact CG-CD2 4.47Å; F250-L331 HydrophobicContact CZ-CB 4.17Å; L270-L331 HydrophobicContact CD1-CD1 3.79Å; L331-R333 PolarHBondContact O-N 3.15Å; L331-K334 HydrophobicContact CD2-CB 4.06Å; L331-K334 HydrophobicContact CD2-CD 3.87Å; L331-K334 HydrophobicContact CD2-CG 4.24Å; L331-K334 HydrophobicContact CG-CB 4.12Å; L331-K334 HydrophobicContact CG-CG 4.38Å; L331-K334 CarbonylContact O-C 3.58Å; L331-K334 PolarHBondContact O-N 2.88Å; L331-E335 PolarHBondContact N-OE1 2.8Å; L331-E335 PolarHBondContact O-N 3.28Å; L331-E335 VanDerWaalsContact O-N 3.16Å
332	P	85.5	Confident	91.4	Very high	29 Å²	29	27.9 Å²	27.9	19%	0.188	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.1	-167.1	-22.3	31.7	0	0	0	116.2	K334 F337 N427	P332-K334 VanDerWaalsContact C-N 3.31Å; P332-F337 HydrophobicContact CB-CB 4.35Å; P332-N427 WeakPolarHBondContact CG-OD1 3.28Å
333	R	85.3	Confident	91.3	Very high	154 Å²	154	28 Å²	28	58%	0.581	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-21.1	173.2	-74	-174.2	178.7	-179.6	1.5	113.3	V34 L331	V34-R333 HydrophobicContact CB-CG 4.24Å; V34-R333 HydrophobicContact CG1-CG 3.41Å; V34-R333 VanDerWaalsContact CG1-CG 3.41Å; V34-R333 HydrophobicContact CG2-CG 3.75Å; L331-R333 PolarHBondContact O-N 3.15Å
334	K	91.9	Very high	91.2	Very high	45 Å²	45	30.8 Å²	30.8	20%	0.196	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	6.9	-174.8	-63.1	-169.5	177.1	162.6	0	112.5	Q222 G246 A249 F250 G274 L331 P332	Q222-K334 VanDerWaalsContact CD-O 3.31Å; Q222-K334 PolarHBondContact NE2-O 3.01Å; Q222-K334 PolarHBondContact OE1-O 2.96Å; Q222-K334 VanDerWaalsContact OE1-O 3.09Å; G246-K334 VanDerWaalsContact O-CE 3.26Å; G246-K334 WeakPolarHBondContact O-CE 3.43Å; G246-K334 PolarHBondContact O-NZ 3.23Å; A249-K334 WeakPolarHBondContact O-CD 3.45Å; A249-K334 PolarHBondContact O-NZ 3.36Å; F250-K334 HydrophobicContact CD2-CB 4.11Å; G274-K334 WeakPolarHBondContact O-CE 3.29Å; G274-K334 PolarHBondContact O-NZ 2.95Å; L331-K334 HydrophobicContact CD2-CB 4.06Å; L331-K334 HydrophobicContact CD2-CD 3.87Å; L331-K334 HydrophobicContact CD2-CG 4.24Å; L331-K334 HydrophobicContact CG-CB 4.12Å; L331-K334 HydrophobicContact CG-CG 4.38Å; L331-K334 CarbonylContact O-C 3.58Å; L331-K334 PolarHBondContact O-N 2.88Å; P332-K334 VanDerWaalsContact C-N 3.31Å
335	E	91.8	Very high	91.3	Very high	9 Å²	9	32.7 Å²	32.7	4%	0.042	15%	0.154	C	C	.	.	S	Bend	trans	-150.2	149.6	174.3	75.8	-171.4	162.7	0	0	110.8	F250 L298 V299 K325 L330 L331 F337	F250-E335 HydrophobicContact CE2-CB 4.33Å; L298-E335 HydrophobicContact CD2-CB 4.3Å; L298-E335 HydrophobicContact CD2-CG 4.02Å; V299-E335 PolarHBondContact N-OE2 3.05Å; K325-E335 IonicContact NZ-OE1 3.93Å; K325-E335 PolarHBondContact NZ-OE1 3.26Å; K325-E335 IonicContact NZ-OE2 2.72Å; K325-E335 PolarHBondContact NZ-OE2 3.27Å; L330-E335 WeakPolarHBondContact CA-OE1 3.3Å; L331-E335 PolarHBondContact N-OE1 2.8Å; L331-E335 PolarHBondContact O-N 3.28Å; L331-E335 VanDerWaalsContact O-N 3.16Å; E335-F337 PolarHBondContact O-N 3.17Å
336	P	92.1	Very high	91.5	Very high	22 Å²	22	32.6 Å²	32.6	14%	0.143	15%	0.153	C	C	.	.			trans	-81.6	63.2	-176.9	34.8	-36.4	0	0	0	111.5	D297 H338 R339	D297-P336 HydrophobicContact CB-CG 3.89Å; P336-H338 PolarHBondContact O-N 3.43Å; P336-H338 VanDerWaalsContact O-N 3.1Å; P336-R339 HydrophobicContact CB-CG 4.03Å; P336-R339 HydrophobicContact CG-CG 4.39Å; P336-R339 WeakPolarHBondContact O-CB 3.31Å; P336-R339 WeakPolarHBondContact O-CG 3.07Å; P336-R339 PolarHBondContact O-N 3.08Å
337	F	88.7	Confident	91.7	Very high	10 Å²	10	31.2 Å²	31.2	4%	0.044	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-51.2	-35.3	-176.7	166.5	-107.4	0	0	0	113.7	L330 P332 E335 R339 I340 S424 N427	L330-F337 HydrophobicContact CD1-CD2 3.84Å; L330-F337 HydrophobicContact CD1-CE2 3.47Å; L330-F337 VanDerWaalsContact CD1-CE2 3.47Å; L330-F337 HydrophobicContact CD1-CZ 3.99Å; L330-F337 HydrophobicContact CD2-CD2 3.37Å; L330-F337 HydrophobicContact CD2-CE2 3.73Å; L330-F337 HydrophobicContact CD2-CG 4.31Å; L330-F337 HydrophobicContact CG-CD2 4.21Å; L330-F337 HydrophobicContact CG-CE2 4.25Å; P332-F337 HydrophobicContact CB-CB 4.35Å; E335-F337 PolarHBondContact O-N 3.17Å; F337-R339 PolarHBondContact O-N 2.69Å; F337-I340 HydrophobicContact CD2-CD1 3.73Å; F337-I340 HydrophobicContact CD2-CG1 4.47Å; F337-I340 HydrophobicContact CE2-CD1 3.82Å; F337-I340 WeakPolarHBondContact O-CG1 3.13Å; F337-I340 PolarHBondContact O-N 2.92Å; F337-I340 VanDerWaalsContact O-N 3.11Å; F337-S424 WeakPolarHBondContact CE2-O 3.49Å; F337-S424 WeakPolarHBondContact CZ-O 3.35Å; F337-N427 HydrophobicContact CD1-CB 4.29Å; F337-N427 WeakPolarHBondContact CD1-OD1 3.4Å; F337-N427 HydrophobicContact CE1-CB 4Å
338	H	87.9	Confident	92.1	Very high	38 Å²	38	31.2 Å²	31.2	18%	0.176	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-58.9	-22.4	-180	66.6	-77.1	0	0	0	113.3	D41 P336 I340 E341 F342	D41-H338 IonicContact OD1-CD2 3.57Å; D41-H338 IonicContact OD1-CE1 3.76Å; D41-H338 IonicContact OD1-NE2 2.71Å; D41-H338 PolarHBondContact OD1-NE2 2.92Å; P336-H338 PolarHBondContact O-N 3.43Å; P336-H338 VanDerWaalsContact O-N 3.1Å; H338-I340 PolarHBondContact O-N 3.36Å; H338-I340 VanDerWaalsContact O-N 3.15Å; H338-E341 PolarHBondContact O-N 2.89Å; H338-E341 VanDerWaalsContact O-N 3.15Å; H338-F342 HydrophobicContact CB-CE2 4.42Å; H338-F342 WeakPolarHBondContact O-CD2 3.28Å
339	R	91.7	Very high	92.6	Very high	17 Å²	17	29.8 Å²	29.8	6%	0.064	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23.7	176.9	-68.6	-178.1	-178.2	168.3	-0.8	113.3	N40 I44 N296 D297 P336 F337 F342 S343	N40-R339 PolarHBondContact O-NH2 2.74Å; I44-R339 HydrophobicContact CD1-CB 3.79Å; I44-R339 HydrophobicContact CG1-CB 4.08Å; N296-R339 PolarHBondContact O-NH1 3.07Å; D297-R339 IonicContact OD2-CZ 3.77Å; D297-R339 IonicContact OD2-NH1 2.84Å; D297-R339 PolarHBondContact OD2-NH1 2.99Å; D297-R339 IonicContact OD2-NH2 3.79Å; P336-R339 HydrophobicContact CB-CG 4.03Å; P336-R339 HydrophobicContact CG-CG 4.39Å; P336-R339 WeakPolarHBondContact O-CB 3.31Å; P336-R339 WeakPolarHBondContact O-CG 3.07Å; P336-R339 PolarHBondContact O-N 3.08Å; F337-R339 PolarHBondContact O-N 2.69Å; R339-F342 PolarHBondContact O-N 2.89Å; R339-S343 PolarHBondContact O-N 3.06Å
340	I	92.9	Very high	92.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-65.4	-44.3	176.9	-55.9	-179.3	0	0	0	110.3	L298 N323 P324 K325 F337 H338 F342 S343 W390 T392 L425	L298-I340 HydrophobicContact CD1-CD1 4.06Å; L298-I340 HydrophobicContact CD1-CG1 3.62Å; N323-I340 WeakPolarHBondContact OD1-CG1 3.27Å; P324-I340 HydrophobicContact CB-CG2 3.73Å; K325-I340 HydrophobicContact CB-CD1 3.89Å; F337-I340 HydrophobicContact CD2-CD1 3.73Å; F337-I340 HydrophobicContact CD2-CG1 4.47Å; F337-I340 HydrophobicContact CE2-CD1 3.82Å; F337-I340 WeakPolarHBondContact O-CG1 3.13Å; F337-I340 PolarHBondContact O-N 2.92Å; F337-I340 VanDerWaalsContact O-N 3.11Å; H338-I340 PolarHBondContact O-N 3.36Å; H338-I340 VanDerWaalsContact O-N 3.15Å; I340-F342 PolarHBondContact O-N 3.43Å; I340-S343 WeakPolarHBondContact O-CB 3.44Å; I340-S343 PolarHBondContact O-N 2.97Å; I340-S343 VanDerWaalsContact O-N 3.14Å; I340-S343 PolarHBondContact O-OG 3.43Å; I340-W390 HydrophobicContact CG2-CZ2 4.47Å; I340-T392 WeakPolarHBondContact O-CG2 3.37Å; I340-L425 HydrophobicContact CG2-CD2 3.69Å
341	E	90.3	Very high	93.2	Very high	33 Å²	33	28.4 Å²	28.4	15%	0.154	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-33.9	179.4	-175.1	175	-173.8	0	0	111.9	H338 T392 R426	H338-E341 PolarHBondContact O-N 2.89Å; H338-E341 VanDerWaalsContact O-N 3.15Å; E341-T392 VanDerWaalsContact O-CB 3.25Å; E341-T392 WeakPolarHBondContact O-CB 3.47Å; E341-T392 WeakPolarHBondContact O-CG2 3.22Å; E341-T392 PolarHBondContact O-OG1 3.45Å; E341-R426 IonicContact OE1-CZ 3.36Å; E341-R426 IonicContact OE1-NE 3.2Å; E341-R426 PolarHBondContact OE1-NE 2.95Å; E341-R426 IonicContact OE1-NH2 3.32Å; E341-R426 PolarHBondContact OE1-NH2 3.47Å; E341-R426 IonicContact OE2-NE 3.53Å; E341-R426 PolarHBondContact OE2-NE 3.1Å
342	F	91.7	Very high	93.4	Very high	114 Å²	114	28.5 Å²	28.5	50%	0.5	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	2.2	-179	-54	-67.4	0	0	0	113.9	V43 H338 R339 I340	V43-F342 WeakPolarHBondContact CG1-O 3.25Å; H338-F342 HydrophobicContact CB-CE2 4.42Å; H338-F342 WeakPolarHBondContact O-CD2 3.28Å; R339-F342 PolarHBondContact O-N 2.89Å; I340-F342 PolarHBondContact O-N 3.43Å
343	S	95.4	Very high	93.7	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.021	14%	0.141	C	C	.	.			trans	-68.1	147.3	-179.2	70.5	0	0	0	0	112.3	I44 N323 R339 I340 W390 T392	I44-S343 WeakPolarHBondContact O-CA 3.47Å; N323-S343 VanDerWaalsContact ND2-CB 3.32Å; N323-S343 WeakPolarHBondContact ND2-CB 3.24Å; N323-S343 PolarHBondContact ND2-OG 3.32Å; R339-S343 PolarHBondContact O-N 3.06Å; I340-S343 WeakPolarHBondContact O-CB 3.44Å; I340-S343 PolarHBondContact O-N 2.97Å; I340-S343 VanDerWaalsContact O-N 3.14Å; I340-S343 PolarHBondContact O-OG 3.43Å; S343-W390 PolarHBondContact O-NE1 3.38Å; S343-W390 VanDerWaalsContact OG-CZ2 3.27Å; S343-W390 WeakPolarHBondContact OG-CZ2 3.2Å; S343-W390 PolarHBondContact OG-NE1 3.17Å; S343-T392 WeakPolarHBondContact O-CG2 3.22Å
344	T	96	Very high	94	Very high	61 Å²	61	23.6 Å²	23.6	37%	0.374	12%	0.119	S	C	.	.	S	Bend	trans	-101.4	-11.1	177.2	56.9	0	0	0	0	113.2	V43 I44 D45 W390	V43-T344 HydrophobicContact CG1-CG2 4.05Å; I44-T344 PolarHBondContact O-N 3.48Å; I44-T344 PolarHBondContact O-OG1 3.09Å; D45-T344 WeakPolarHBondContact CA-OG1 3.43Å; T344-W390 PolarHBondContact O-N 2.63Å
345	H	97.5	Very high	94.1	Very high	40 Å²	40	26.1 Å²	26.1	19%	0.185	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.3	-175.5	-67.5	71.1	0	0	0	112.4	G46 N323 L388	G46-H345 PolarHBondContact N-ND1 2.98Å; G46-H345 VanDerWaalsContact N-ND1 3.2Å; N323-H345 PolarHBondContact ND2-O 3.03Å; H345-L388 CarbonylContact C-O 3.59Å; H345-L388 WeakPolarHBondContact CA-O 3.03Å
346	I	98.3	Very high	94.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.8	157.3	-61.3	173	0	0	0	107.5	N323 I348 V361 I363 V387 L388 W390 I405	N323-I346 CarbonylContact O-C 3.58Å; N323-I346 VanDerWaalsContact O-CA 3.27Å; N323-I346 WeakPolarHBondContact O-CA 3.02Å; N323-I346 WeakPolarHBondContact O-CG2 2.93Å; I346-I348 HydrophobicContact CG2-CD1 3.96Å; I346-I348 HydrophobicContact CG2-CG1 3.98Å; I346-V361 HydrophobicContact CD1-CG1 3.89Å; I346-I363 HydrophobicContact CD1-CD1 3.87Å; I346-V387 VanDerWaalsContact O-CA 3.23Å; I346-V387 WeakPolarHBondContact O-CA 3.31Å; I346-L388 HydrophobicContact CB-CB 4.29Å; I346-L388 HydrophobicContact CD1-CD2 4.35Å; I346-L388 PolarHBondContact N-O 2.93Å; I346-L388 PolarHBondContact O-N 3.41Å; I346-W390 HydrophobicContact CD1-CB 4.21Å; I346-W390 HydrophobicContact CD1-CD2 4.12Å; I346-W390 HydrophobicContact CD1-CE3 3.72Å; I346-W390 HydrophobicContact CD1-CG 4.36Å; I346-W390 HydrophobicContact CD1-CZ3 4.46Å; I346-W390 HydrophobicContact CG1-CB 4.07Å; I346-W390 HydrophobicContact CG1-CD2 3.5Å; I346-W390 HydrophobicContact CG1-CE3 3.5Å; I346-W390 HydrophobicContact CG1-CG 3.78Å; I346-W390 HydrophobicContact CG1-CZ3 4.17Å; I346-I405 HydrophobicContact CD1-CD1 4.22Å; I346-I405 HydrophobicContact CG2-CD1 3.91Å
347	R	98.4	Very high	94.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.5	-177.8	-66.2	173.1	66.9	103	-10.2	109.9	I44 D45 G47 H49 D295 T322 N323 L385 V387	I44-R347 HydrophobicContact CG2-CG 4.31Å; D45-R347 WeakPolarHBondContact O-CD 3.48Å; D45-R347 PolarHBondContact O-NH1 3.48Å; G47-R347 PolarHBondContact O-NH1 3.32Å; G47-R347 PolarHBondContact O-NH2 3.2Å; H49-R347 PolarHBondContact O-NH2 2.82Å; D295-R347 VanDerWaalsContact CG-NE 3.32Å; D295-R347 IonicContact OD1-CZ 2.87Å; D295-R347 VanDerWaalsContact OD1-CZ 3.29Å; D295-R347 IonicContact OD1-NE 3.68Å; D295-R347 PolarHBondContact OD1-NE 2.77Å; D295-R347 IonicContact OD1-NH2 2.72Å; D295-R347 PolarHBondContact OD1-NH2 2.76Å; D295-R347 IonicContact OD2-CZ 2.66Å; D295-R347 IonicContact OD2-NE 2.66Å; D295-R347 PolarHBondContact OD2-NE 3.31Å; D295-R347 IonicContact OD2-NH2 2.81Å; T322-R347 PolarHBondContact N-O 3.4Å; T322-R347 WeakPolarHBondContact OG1-CB 3.49Å; T322-R347 PolarHBondContact OG1-O 3.2Å; T322-R347 VanDerWaalsContact OG1-O 3.11Å; N323-R347 HydrophobicContact CB-CB 3.93Å; N323-R347 HydrophobicContact CB-CG 4.29Å; N323-R347 PolarHBondContact N-O 3.12Å; N323-R347 VanDerWaalsContact N-O 3.1Å; N323-R347 PolarHBondContact O-N 3.16Å; R347-L385 HydrophobicContact CB-CD1 4.11Å; R347-V387 HydrophobicContact CG-CG1 4.05Å
348	I	98.7	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	123.1	-172.2	-53	155.7	0	0	0	108	I319 L320 I321 I346 V350 V359 V361 A371 Y386 V407	I319-I348 HydrophobicContact CG2-CG2 3.68Å; L320-I348 CarbonylContact O-C 3.42Å; L320-I348 WeakPolarHBondContact O-CA 3.32Å; I321-I348 HydrophobicContact CG1-CG2 4.47Å; I346-I348 HydrophobicContact CG2-CD1 3.96Å; I346-I348 HydrophobicContact CG2-CG1 3.98Å; I348-V350 HydrophobicContact CB-CG2 4.45Å; I348-V350 HydrophobicContact CG2-CG2 3.61Å; I348-V359 HydrophobicContact CD1-CG1 4.03Å; I348-V361 HydrophobicContact CD1-CG2 3.67Å; I348-A371 HydrophobicContact CD1-CB 4.2Å; I348-Y386 PolarHBondContact N-O 3.3Å; I348-Y386 PolarHBondContact O-N 3.41Å; I348-V407 HydrophobicContact CD1-CB 4.47Å; I348-V407 HydrophobicContact CD1-CG1 3.89Å; I348-V407 HydrophobicContact CD1-CG2 3.69Å; I348-V407 HydrophobicContact CG1-CG2 4.22Å; I348-V407 HydrophobicContact CG2-CG1 4.09Å
349	L	98.4	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128	167.4	-66.3	165.1	0	0	0	109	W53 A293 I319 L320 T322 W351 P384 L385	W53-L349 HydrophobicContact CE3-CD1 4.07Å; W53-L349 HydrophobicContact CE3-CD2 4.06Å; W53-L349 HydrophobicContact CZ3-CD2 3.88Å; A293-L349 HydrophobicContact CB-CD1 3.52Å; I319-L349 WeakPolarHBondContact CA-O 3.43Å; L320-L349 HydrophobicContact CB-CB 4.34Å; L320-L349 HydrophobicContact CD2-CD1 4.42Å; L320-L349 PolarHBondContact N-O 2.95Å; L320-L349 PolarHBondContact O-N 2.95Å; T322-L349 HydrophobicContact CG2-CD1 3.8Å; T322-L349 HydrophobicContact CG2-CG 4.15Å; L349-W351 HydrophobicContact CB-CE3 4.34Å; L349-W351 HydrophobicContact CB-CH2 3.35Å; L349-W351 HydrophobicContact CB-CZ2 3.78Å; L349-W351 HydrophobicContact CB-CZ3 3.66Å; L349-W351 HydrophobicContact CD1-CH2 3.66Å; L349-W351 HydrophobicContact CD1-CZ2 4Å; L349-W351 HydrophobicContact CD2-CZ2 4.32Å; L349-W351 HydrophobicContact CG-CH2 4.04Å; L349-W351 HydrophobicContact CG-CZ2 4.26Å; L349-P384 CarbonylContact C-O 3.58Å; L349-P384 WeakPolarHBondContact CA-O 3.46Å; L349-P384 HydrophobicContact CD2-CB 4.49Å; L349-P384 HydrophobicContact CD2-CG 4.07Å; L349-L385 HydrophobicContact CD2-CB 4.02Å; L349-L385 HydrophobicContact CD2-CD1 3.94Å; L349-L385 HydrophobicContact CG-CD1 4.26Å
350	V	97.9	Very high	95.7	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.8	179.9	-172.6	0	0	0	0	109.4	P317 I318 I319 I348 I356 V359 P384 Y386 A409	P317-V350 HydrophobicContact CB-CG1 3.78Å; I318-V350 WeakPolarHBondContact O-CA 3.3Å; I319-V350 HydrophobicContact CG1-CG1 4.38Å; I348-V350 HydrophobicContact CB-CG2 4.45Å; I348-V350 HydrophobicContact CG2-CG2 3.61Å; V350-I356 HydrophobicContact CG1-CD1 3.64Å; V350-I356 HydrophobicContact CG1-CG1 3.97Å; V350-V359 HydrophobicContact CG2-CG1 4.24Å; V350-V359 HydrophobicContact CG2-CG2 4.03Å; V350-P384 PolarHBondContact N-O 3.26Å; V350-P384 WeakPolarHBondContact O-CB 3.49Å; V350-Y386 HydrophobicContact CB-CD2 3.8Å; V350-Y386 HydrophobicContact CB-CE2 3.94Å; V350-Y386 HydrophobicContact CG2-CD2 3.87Å; V350-Y386 HydrophobicContact CG2-CE2 4.47Å; V350-Y386 HydrophobicContact CG2-CG 4.46Å; V350-A409 HydrophobicContact CG1-CB 3.67Å
351	W	96.2	Very high	96	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.6	176.7	-59.2	-86.6	0	0	0	110.2	W53 V84 I85 I291 W316 P317 I318 L320 L349 P384	W53-W351 HydrophobicContact CD2-CZ2 4.01Å; W53-W351 HydrophobicContact CG-CZ2 4.06Å; W53-W351 AromaticContact NE1-CZ2 3.96Å; V84-W351 HydrophobicContact CG1-CB 4.2Å; I85-W351 HydrophobicContact CG1-CG 4.47Å; I85-W351 PolarHBondContact O-NE1 3.4Å; I291-W351 HydrophobicContact CD1-CE3 4Å; I291-W351 HydrophobicContact CD1-CH2 4.27Å; I291-W351 HydrophobicContact CD1-CZ3 3.84Å; I291-W351 HydrophobicContact CG2-CH2 3.74Å; I291-W351 HydrophobicContact CG2-CZ2 4.36Å; I291-W351 HydrophobicContact CG2-CZ3 4.23Å; W316-W351 VanDerWaalsContact CE3-O 3.26Å; W316-W351 HydrophobicContact CZ3-CB 3.99Å; W316-W351 WeakPolarHBondContact CZ3-O 3.29Å; P317-W351 CarbonylContact C-O 3.51Å; P317-W351 VanDerWaalsContact CA-O 3.22Å; P317-W351 WeakPolarHBondContact CA-O 3.34Å; P317-W351 WeakPolarHBondContact CB-O 3.46Å; I318-W351 HydrophobicContact CB-CB 4.46Å; I318-W351 HydrophobicContact CB-CE3 4.23Å; I318-W351 HydrophobicContact CG2-CE3 3.95Å; I318-W351 HydrophobicContact CG2-CZ3 4.35Å; I318-W351 PolarHBondContact N-O 3.4Å; I318-W351 PolarHBondContact O-N 2.68Å; L320-W351 HydrophobicContact CB-CZ3 4.04Å; L320-W351 HydrophobicContact CD2-CH2 4.5Å; L349-W351 HydrophobicContact CB-CE3 4.34Å; L349-W351 HydrophobicContact CB-CH2 3.35Å; L349-W351 HydrophobicContact CB-CZ2 3.78Å; L349-W351 HydrophobicContact CB-CZ3 3.66Å; L349-W351 HydrophobicContact CD1-CH2 3.66Å; L349-W351 HydrophobicContact CD1-CZ2 4Å; L349-W351 HydrophobicContact CD2-CZ2 4.32Å; L349-W351 HydrophobicContact CG-CH2 4.04Å; L349-W351 HydrophobicContact CG-CZ2 4.26Å; W351-P384 HydrophobicContact CD2-CB 4.42Å; W351-P384 HydrophobicContact CG-CB 4.25Å
352	S	94.5	Very high	96.4	Very high	15 Å²	15	34.6 Å²	34.6	11%	0.105	18%	0.182	C	C	.	.			trans	-147.3	154.6	167.3	-176.9	0	0	0	0	111.1	V84 W316 S354 I356 D411	V84-S352 WeakPolarHBondContact CG1-O 3.26Å; W316-S352 VanDerWaalsContact CE3-CA 3.45Å; S352-S354 VanDerWaalsContact CB-O 3.24Å; S352-S354 WeakPolarHBondContact CB-O 3.38Å; S352-S354 PolarHBondContact O-N 2.66Å; S352-S354 PolarHBondContact OG-N 3.28Å; S352-S354 PolarHBondContact OG-O 3.44Å; S352-I356 VanDerWaalsContact CB-CD1 3.47Å; S352-D411 PolarHBondContact OG-OD2 2.86Å
353	L	91.4	Very high	96.6	Very high	62 Å²	62	29.2 Å²	29.2	33%	0.325	16%	0.158	S	C	.	.	S	Bend	trans	-65.6	-24.1	169.5	-56.9	-176.6	0	0	0	111.9	T80 V84 L309 W316	T80-L353 HydrophobicContact CG2-CD1 4.41Å; T80-L353 HydrophobicContact CG2-CD2 3.82Å; V84-L353 HydrophobicContact CB-CD2 4.49Å; V84-L353 HydrophobicContact CG2-CD2 3.85Å; L309-L353 HydrophobicContact CD2-CD1 3.65Å; W316-L353 HydrophobicContact CD2-CG 4.07Å; W316-L353 HydrophobicContact CG-CG 4.4Å; W316-L353 HydrophobicContact CH2-CD2 3.96Å; W316-L353 HydrophobicContact CH2-CG 4.38Å; W316-L353 HydrophobicContact CZ2-CD1 4.32Å; W316-L353 HydrophobicContact CZ2-CD2 3.47Å; W316-L353 VanDerWaalsContact CZ2-CD2 3.47Å; W316-L353 HydrophobicContact CZ2-CG 3.7Å
354	S	92	Very high	96.6	Very high	18 Å²	18	32.6 Å²	32.6	13%	0.126	18%	0.176	C	C	.	.	S	Bend	trans	-112.6	154.2	176.4	-68.5	0	0	0	0	111	S352 I356 N413	S352-S354 VanDerWaalsContact CB-O 3.24Å; S352-S354 WeakPolarHBondContact CB-O 3.38Å; S352-S354 PolarHBondContact O-N 2.66Å; S352-S354 PolarHBondContact OG-N 3.28Å; S352-S354 PolarHBondContact OG-O 3.44Å; S354-I356 PolarHBondContact O-N 2.72Å; S354-N413 PolarHBondContact OG-ND2 2.76Å; S354-N413 PolarHBondContact OG-OD1 3.36Å
355	P	94.6	Very high	96.6	Very high	98 Å²	98	33.4 Å²	33.4	64%	0.636	20%	0.197	S	C	*	.			trans	-54	133.5	178	-26.6	34.6	0	0	0	112.6	D411 A412	P355-D411 CarbonylContact O-C 3.55Å; P355-D411 VanDerWaalsContact O-CA 3.31Å; P355-D411 WeakPolarHBondContact O-CA 3.4Å; P355-D411 WeakPolarHBondContact O-CB 3.38Å; P355-A412 HydrophobicContact CB-CB 4.37Å; P355-A412 PolarHBondContact O-N 2.72Å
356	I	96.1	Very high	96.5	Very high	30 Å²	30	36.8 Å²	36.8	15%	0.154	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.4	175.6	-57.1	-61.7	0	0	0	109.4	P317 V350 S352 S354 V359 Y386 D411	P317-I356 HydrophobicContact CB-CD1 3.75Å; P317-I356 HydrophobicContact CG-CD1 3.62Å; V350-I356 HydrophobicContact CG1-CD1 3.64Å; V350-I356 HydrophobicContact CG1-CG1 3.97Å; S352-I356 VanDerWaalsContact CB-CD1 3.47Å; S354-I356 PolarHBondContact O-N 2.72Å; I356-V359 HydrophobicContact CG2-CG2 3.71Å; I356-Y386 VanDerWaalsContact CB-OH 3.31Å; I356-Y386 WeakPolarHBondContact CB-OH 3.38Å; I356-Y386 HydrophobicContact CG1-CE2 4.46Å; I356-Y386 HydrophobicContact CG2-CE1 4.17Å; I356-Y386 HydrophobicContact CG2-CE2 4.48Å; I356-D411 HydrophobicContact CD1-CB 4.26Å
357	L	96.4	Very high	96.5	Very high	116 Å²	116	41.3 Å²	41.3	61%	0.607	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	-42	178.8	-64.1	-179	0	0	0	112.6	K410 D411 A412	L357-K410 PolarHBondContact N-O 2.82Å; L357-D411 WeakPolarHBondContact CD1-O 3.17Å; L357-A412 HydrophobicContact CD2-CB 4.24Å; L357-A412 HydrophobicContact CG-CB 4.42Å
358	R	96.9	Very high	96.5	Very high	116 Å²	116	44.4 Å²	44.4	44%	0.438	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	148.6	-178.9	64.5	-179	-174.1	158	2.2	111.7	F370 A409 K410	R358-F370 HydrophobicContact CB-CD1 4.03Å; R358-F370 HydrophobicContact CB-CE1 4.33Å; R358-F370 HydrophobicContact CG-CE1 4.5Å; R358-A409 WeakPolarHBondContact O-CA 2.79Å; R358-K410 HydrophobicContact CG-CB 4.08Å; R358-K410 PolarHBondContact N-O 3.35Å; R358-K410 PolarHBondContact O-N 2.69Å
359	V	98.4	Very high	96.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	100.6	173.6	-178	0	0	0	0	107.7	I348 V350 I356 F370 A371 Y386 V407 T408 A409	I348-V359 HydrophobicContact CD1-CG1 4.03Å; V350-V359 HydrophobicContact CG2-CG1 4.24Å; V350-V359 HydrophobicContact CG2-CG2 4.03Å; I356-V359 HydrophobicContact CG2-CG2 3.71Å; V359-F370 CarbonylContact O-C 3.55Å; V359-F370 VanDerWaalsContact O-CA 3.24Å; V359-F370 WeakPolarHBondContact O-CA 3.16Å; V359-A371 HydrophobicContact CB-CB 4.12Å; V359-A371 HydrophobicContact CG1-CB 4.06Å; V359-A371 PolarHBondContact O-N 3.15Å; V359-Y386 HydrophobicContact CB-CD1 4.25Å; V359-Y386 HydrophobicContact CB-CG 4.45Å; V359-Y386 HydrophobicContact CG2-CD1 3.6Å; V359-Y386 HydrophobicContact CG2-CD2 4.21Å; V359-Y386 HydrophobicContact CG2-CE1 3.91Å; V359-Y386 HydrophobicContact CG2-CG 3.78Å; V359-V407 HydrophobicContact CG1-CG1 3.68Å; V359-T408 CarbonylContact C-O 3.59Å; V359-A409 HydrophobicContact CG2-CB 4.19Å
360	S	98.6	Very high	96.4	Very high	23 Å²	23	50 Å²	50	16%	0.161	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.1	-178.5	179.7	0	0	0	0	110.4	H367 V407 T408	S360-H367 PolarHBondContact OG-CE1 3Å; S360-H367 PolarHBondContact OG-ND1 2.71Å; S360-V407 WeakPolarHBondContact O-CA 3.39Å; S360-T408 PolarHBondContact N-O 3.17Å; S360-T408 PolarHBondContact O-N 2.84Å
361	V	98.8	Very high	96.5	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.3	178	-173.6	0	0	0	0	110.1	I346 I348 H367 Q368 G369 A371 L388 I405 V407	I346-V361 HydrophobicContact CD1-CG1 3.89Å; I348-V361 HydrophobicContact CD1-CG2 3.67Å; V361-H367 PolarHBondContact O-ND1 3.23Å; V361-H367 VanDerWaalsContact O-ND1 3.11Å; V361-Q368 HydrophobicContact CG1-CB 4.5Å; V361-Q368 PolarHBondContact O-N 3.39Å; V361-G369 PolarHBondContact N-O 2.81Å; V361-A371 HydrophobicContact CG2-CB 4.23Å; V361-L388 HydrophobicContact CB-CD2 3.68Å; V361-L388 HydrophobicContact CG1-CD2 4.17Å; V361-L388 HydrophobicContact CG2-CD2 3.84Å; V361-I405 HydrophobicContact CG1-CD1 3.93Å; V361-I405 HydrophobicContact CG1-CG1 4.08Å; V361-V407 HydrophobicContact CG1-CG2 4.39Å; V361-V407 HydrophobicContact CG2-CG2 4.29Å
362	S	98.5	Very high	96.5	Very high	21 Å²	21	56.6 Å²	56.6	15%	0.147	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.4	172.1	-61.1	0	0	0	0	109.6	I366 I405 E406	S362-I366 CarbonylContact C-O 3.44Å; S362-I366 VanDerWaalsContact CA-O 3.28Å; S362-I366 WeakPolarHBondContact CA-O 3.45Å; S362-I405 WeakPolarHBondContact O-CA 3.35Å; S362-E406 PolarHBondContact N-O 3.06Å; S362-E406 PolarHBondContact O-N 2.77Å
363	I	97	Very high	96.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.9	174.3	-63.9	174.9	0	0	0	108	I346 G365 I366 Q368 W390 W395 H403 V404 I405 F423	I346-I363 HydrophobicContact CD1-CD1 3.87Å; I363-G365 PolarHBondContact O-N 3.01Å; I363-I366 PolarHBondContact N-O 3.5Å; I363-I366 WeakPolarHBondContact O-CB 3.32Å; I363-I366 PolarHBondContact O-N 2.84Å; I363-Q368 HydrophobicContact CB-CG 4.04Å; I363-Q368 HydrophobicContact CD1-CG 4.02Å; I363-Q368 HydrophobicContact CG1-CG 3.87Å; I363-W390 HydrophobicContact CD1-CE3 4Å; I363-W390 HydrophobicContact CD1-CZ3 4.11Å; I363-W395 HydrophobicContact CB-CZ2 4.07Å; I363-W395 HydrophobicContact CD1-CH2 3.76Å; I363-W395 HydrophobicContact CD1-CZ2 3.63Å; I363-W395 HydrophobicContact CD1-CZ3 4.33Å; I363-W395 HydrophobicContact CG1-CZ2 4.43Å; I363-W395 HydrophobicContact CG2-CZ2 3.98Å; I363-H403 HydrophobicContact CG2-CB 4.39Å; I363-V404 CarbonylContact C-O 3.5Å; I363-V404 WeakPolarHBondContact CA-O 3.4Å; I363-I405 HydrophobicContact CG1-CB 4.32Å; I363-I405 HydrophobicContact CG1-CD1 4.43Å; I363-I405 HydrophobicContact CG1-CG1 4.11Å; I363-F423 HydrophobicContact CD1-CE1 4.43Å; I363-F423 HydrophobicContact CD1-CZ 4.18Å; I363-F423 HydrophobicContact CG1-CE1 4.42Å; I363-F423 HydrophobicContact CG2-CE1 4.01Å; I363-F423 HydrophobicContact CG2-CZ 3.97Å
364	D	94.4	Very high	96.7	Very high	74 Å²	74	57 Å²	57	40%	0.396	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	39.3	-178	-57.1	-33.2	0	0	0	112.8	I366 H403 V404	D364-I366 PolarHBondContact O-N 3.42Å; D364-H403 WeakPolarHBondContact OD1-CA 3.06Å; D364-H403 IonicContact OD1-ND1 2.69Å; D364-H403 IonicContact OD2-CE1 3.7Å; D364-H403 IonicContact OD2-CG 2.85Å; D364-H403 IonicContact OD2-ND1 3.29Å; D364-H403 PolarHBondContact OD2-ND1 3.08Å; D364-V404 PolarHBondContact N-O 2.73Å; D364-V404 PolarHBondContact OD1-N 3.16Å
365	G	95.5	Very high	96.3	Very high	78 Å²	78	64.7 Å²	64.7	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-3.1	-177.4	0	0	0	0	0	115.1	I363	I363-G365 PolarHBondContact O-N 3.01Å
366	I	96.8	Very high	95.5	Very high	111 Å²	111	63.7 Å²	63.7	57%	0.569	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.1	179.3	-55.9	175.4	0	0	0	109.6	S362 I363 D364 Q368	S362-I366 CarbonylContact C-O 3.44Å; S362-I366 VanDerWaalsContact CA-O 3.28Å; S362-I366 WeakPolarHBondContact CA-O 3.45Å; I363-I366 PolarHBondContact N-O 3.5Å; I363-I366 WeakPolarHBondContact O-CB 3.32Å; I363-I366 PolarHBondContact O-N 2.84Å; D364-I366 PolarHBondContact O-N 3.42Å; I366-Q368 PolarHBondContact O-N 3.2Å; I366-Q368 PolarHBondContact O-NE2 3.46Å
367	H	97.9	Very high	93.9	Very high	96 Å²	96	69.5 Å²	69.5	44%	0.444	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	123.6	176.8	-174.8	55.9	0	0	0	111.3	S360 V361 G369	S360-H367 PolarHBondContact OG-CE1 3Å; S360-H367 PolarHBondContact OG-ND1 2.71Å; V361-H367 PolarHBondContact O-ND1 3.23Å; V361-H367 VanDerWaalsContact O-ND1 3.11Å; H367-G369 PolarHBondContact CE1-O 3.2Å
368	Q	97.5	Very high	92.1	Very high	64 Å²	64	71.9 Å²	71.9	30%	0.299	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-25.5	-178.2	-59.5	-58.1	-53.9	0	0	112.6	V361 I363 I366 L388	V361-Q368 HydrophobicContact CG1-CB 4.5Å; V361-Q368 PolarHBondContact O-N 3.39Å; I363-Q368 HydrophobicContact CB-CG 4.04Å; I363-Q368 HydrophobicContact CD1-CG 4.02Å; I363-Q368 HydrophobicContact CG1-CG 3.87Å; I366-Q368 PolarHBondContact O-N 3.2Å; I366-Q368 PolarHBondContact O-NE2 3.46Å; Q368-L388 HydrophobicContact CB-CD2 3.92Å
369	G	98	Very high	89.7	Confident	16 Å²	16	72.6 Å²	72.6	17%	0.165	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.4	-168.2	178.6	0	0	0	0	0	113.5	V361 H367	V361-G369 PolarHBondContact N-O 2.81Å; H367-G369 PolarHBondContact CE1-O 3.2Å
370	F	98.4	Very high	87.6	Confident	101 Å²	101	76 Å²	76	44%	0.443	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	123.7	175.3	-62.6	-77.3	0	0	0	110.2	R358 V359	R358-F370 HydrophobicContact CB-CD1 4.03Å; R358-F370 HydrophobicContact CB-CE1 4.33Å; R358-F370 HydrophobicContact CG-CE1 4.5Å; V359-F370 CarbonylContact O-C 3.55Å; V359-F370 VanDerWaalsContact O-CA 3.24Å; V359-F370 WeakPolarHBondContact O-CA 3.16Å
371	A	98.3	Very high	85.8	Confident	6 Å²	6	80.7 Å²	80.7	5%	0.05	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.5	173.8	0	0	0	0	0	110.4	I348 V359 V361 V387 L388	I348-A371 HydrophobicContact CD1-CB 4.2Å; V359-A371 HydrophobicContact CB-CB 4.12Å; V359-A371 HydrophobicContact CG1-CB 4.06Å; V359-A371 PolarHBondContact O-N 3.15Å; V361-A371 HydrophobicContact CG2-CB 4.23Å; A371-V387 CarbonylContact C-O 3.5Å; A371-V387 VanDerWaalsContact CA-O 3.3Å; A371-V387 WeakPolarHBondContact CA-O 3.38Å; A371-L388 HydrophobicContact CB-CB 4.01Å
372	E	96.5	Very high	84.7	Confident	143 Å²	143	85.2 Å²	85.2	67%	0.668	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	153.8	-179	-63.9	-173	167.3	0	0	110.8	A374 Y386 V387	E372-A374 PolarHBondContact O-N 3.39Å; E372-Y386 CarbonylContact O-C 3.38Å; E372-Y386 VanDerWaalsContact O-CA 3.26Å; E372-Y386 WeakPolarHBondContact O-CA 3.48Å; E372-V387 PolarHBondContact N-O 2.98Å; E372-V387 PolarHBondContact O-N 2.82Å
373	P	95.2	Very high	84.3	Confident	81 Å²	81	85.2 Å²	85.2	53%	0.526	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	133	173.4	-23.1	32.5	0	0	0	111.8	Y386	P373-Y386 HydrophobicContact CB-CE1 4.44Å; P373-Y386 HydrophobicContact CG-CD1 4.24Å; P373-Y386 HydrophobicContact CG-CE1 3.67Å
374	A	94.2	Very high	84.2	Confident	4 Å²	4	86.3 Å²	86.3	3%	0.033	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-61.7	144	179.8	0	0	0	0	0	111.5	A48 E372 L376 T383 L385 V387	A48-A374 HydrophobicContact CB-CB 3.92Å; E372-A374 PolarHBondContact O-N 3.39Å; A374-L376 PolarHBondContact O-N 3.04Å; A374-T383 HydrophobicContact CB-CG2 4.11Å; A374-T383 WeakPolarHBondContact O-CG2 3.41Å; A374-L385 HydrophobicContact CB-CB 3.99Å; A374-L385 HydrophobicContact CB-CD2 3.66Å; A374-L385 HydrophobicContact CB-CG 3.86Å; A374-L385 WeakPolarHBondContact CB-O 3.01Å; A374-L385 PolarHBondContact N-O 3.27Å; A374-V387 HydrophobicContact CB-CG1 3.98Å; A374-V387 HydrophobicContact CB-CG2 4.4Å
375	K	83.7	Confident	84.4	Confident	179 Å²	179	82.8 Å²	82.8	78%	0.778	48%	0.477	S	S	*	.	B	Isolated β-bridge	trans	-67.2	124.9	175.8	-67.4	-176.9	-177.9	177.8	0	109.7	A48	A48-K375 WeakPolarHBondContact CB-O 3.16Å; A48-K375 PolarHBondContact N-O 3.2Å; A48-K375 VanDerWaalsContact N-O 3.13Å
376	L	77.8	Confident	84.5	Confident	78 Å²	78	80.3 Å²	80.3	41%	0.408	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-82.6	146.1	173	-67.1	130.1	0	0	0	110.2	A48 A374 E378 N381 T383	A48-L376 HydrophobicContact CB-CD2 4.47Å; A374-L376 PolarHBondContact O-N 3.04Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-N381 WeakPolarHBondContact CD1-O 3.46Å; L376-N381 VanDerWaalsContact CD2-O 3.26Å; L376-N381 WeakPolarHBondContact CD2-O 3.12Å; L376-T383 HydrophobicContact CD1-CG2 4.25Å; L376-T383 HydrophobicContact CD2-CG2 4.49Å; L376-T383 HydrophobicContact CG-CG2 4.23Å
377	L	63.6	Low	84.5	Confident	152 Å²	152	75.7 Å²	75.7	80%	0.796	42%	0.42	S	S	*	.	S	Bend	trans	-73.4	-24.9	175.4	-71.7	165.5	0	0	0	112.3	H49	H49-L377 HydrophobicContact CB-CD1 4.11Å
378	E	58.9	Low	84.6	Confident	166 Å²	166	72 Å²	72	78%	0.776	40%	0.403	S	S	*	.	S	Bend	trans	-129	132.5	178.4	-67.3	-176.5	176.2	0	0	110.4	L376 G380	L376-E378 VanDerWaalsContact C-N 3.31Å; E378-G380 PolarHBondContact O-N 3.47Å
379	S	46	Very low	84.6	Confident	130 Å²	130	73.3 Å²	73.3	91%	0.909	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	117.1	-176.2	65.8	0	0	0	0	110.8
380	G	54	Low	84.5	Confident	73 Å²	73	73.8 Å²	73.8	75%	0.753	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	154.4	-27.5	164.3	0	0	0	0	0	116.6	E378	E378-G380 PolarHBondContact O-N 3.47Å
381	N	60.5	Low	84.3	Confident	121 Å²	121	72.9 Å²	72.9	65%	0.647	42%	0.415	S	S	*	.			trans	-107.8	126.4	-175.6	-77	-16.6	0	0	0	111.9	L376 T383	L376-N381 WeakPolarHBondContact CD1-O 3.46Å; L376-N381 VanDerWaalsContact CD2-O 3.26Å; L376-N381 WeakPolarHBondContact CD2-O 3.12Å; N381-T383 PolarHBondContact O-N 3.05Å
382	S	77.1	Confident	84	Confident	94 Å²	94	73.4 Å²	73.4	66%	0.657	42%	0.417	S	S	*	.			trans	-61.8	136	170.7	55.6	0	0	0	0	111
383	T	89.1	Confident	83.6	Confident	22 Å²	22	70 Å²	70	14%	0.135	41%	0.409	C	S	.	.			trans	-100.3	138.7	173.8	-179.7	0	0	0	0	110.1	A374 L376 N381 L385	A374-T383 HydrophobicContact CB-CG2 4.11Å; A374-T383 WeakPolarHBondContact O-CG2 3.41Å; L376-T383 HydrophobicContact CD1-CG2 4.25Å; L376-T383 HydrophobicContact CD2-CG2 4.49Å; L376-T383 HydrophobicContact CG-CG2 4.23Å; N381-T383 PolarHBondContact O-N 3.05Å; T383-L385 PolarHBondContact O-N 3.02Å; T383-L385 WeakPolarHBondContact OG1-CB 3.37Å; T383-L385 PolarHBondContact OG1-N 3.26Å; T383-L385 VanDerWaalsContact OG1-N 3.12Å
384	P	95.5	Very high	83.3	Confident	23 Å²	23	72 Å²	72	15%	0.149	41%	0.411	C	S	.	.	S	Bend	trans	-76.1	-3.7	169.6	32.5	-34.5	0	0	0	112.4	W53 L349 V350 W351 Y386	W53-P384 HydrophobicContact CH2-CG 3.4Å; W53-P384 HydrophobicContact CZ2-CG 3.61Å; W53-P384 HydrophobicContact CZ3-CG 4.15Å; L349-P384 CarbonylContact C-O 3.58Å; L349-P384 WeakPolarHBondContact CA-O 3.46Å; L349-P384 HydrophobicContact CD2-CB 4.49Å; L349-P384 HydrophobicContact CD2-CG 4.07Å; V350-P384 PolarHBondContact N-O 3.26Å; V350-P384 WeakPolarHBondContact O-CB 3.49Å; W351-P384 HydrophobicContact CD2-CB 4.42Å; W351-P384 HydrophobicContact CG-CB 4.25Å; P384-Y386 WeakPolarHBondContact O-CD2 3.22Å
385	L	97.2	Very high	83	Confident	0 Å²	0	73 Å²	73	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.8	180	-174.8	69.2	0	0	0	111.2	A48 R347 L349 A374 T383 V387	A48-L385 HydrophobicContact CB-CD2 4.5Å; R347-L385 HydrophobicContact CB-CD1 4.11Å; L349-L385 HydrophobicContact CD2-CB 4.02Å; L349-L385 HydrophobicContact CD2-CD1 3.94Å; L349-L385 HydrophobicContact CG-CD1 4.26Å; A374-L385 HydrophobicContact CB-CB 3.99Å; A374-L385 HydrophobicContact CB-CD2 3.66Å; A374-L385 HydrophobicContact CB-CG 3.86Å; A374-L385 WeakPolarHBondContact CB-O 3.01Å; A374-L385 PolarHBondContact N-O 3.27Å; T383-L385 PolarHBondContact O-N 3.02Å; T383-L385 WeakPolarHBondContact OG1-CB 3.37Å; T383-L385 PolarHBondContact OG1-N 3.26Å; T383-L385 VanDerWaalsContact OG1-N 3.12Å; L385-V387 HydrophobicContact CD2-CG1 4.25Å; L385-V387 HydrophobicContact CG-CG1 4.11Å
386	Y	97.9	Very high	82.9	Confident	27 Å²	27	65.8 Å²	65.8	11%	0.106	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	141.5	170.7	-70.6	-101.4	0	0	0	109.9	I348 V350 I356 V359 E372 P373 P384	I348-Y386 PolarHBondContact N-O 3.3Å; I348-Y386 PolarHBondContact O-N 3.41Å; V350-Y386 HydrophobicContact CB-CD2 3.8Å; V350-Y386 HydrophobicContact CB-CE2 3.94Å; V350-Y386 HydrophobicContact CG2-CD2 3.87Å; V350-Y386 HydrophobicContact CG2-CE2 4.47Å; V350-Y386 HydrophobicContact CG2-CG 4.46Å; I356-Y386 VanDerWaalsContact CB-OH 3.31Å; I356-Y386 WeakPolarHBondContact CB-OH 3.38Å; I356-Y386 HydrophobicContact CG1-CE2 4.46Å; I356-Y386 HydrophobicContact CG2-CE1 4.17Å; I356-Y386 HydrophobicContact CG2-CE2 4.48Å; V359-Y386 HydrophobicContact CB-CD1 4.25Å; V359-Y386 HydrophobicContact CB-CG 4.45Å; V359-Y386 HydrophobicContact CG2-CD1 3.6Å; V359-Y386 HydrophobicContact CG2-CD2 4.21Å; V359-Y386 HydrophobicContact CG2-CE1 3.91Å; V359-Y386 HydrophobicContact CG2-CG 3.78Å; E372-Y386 CarbonylContact O-C 3.38Å; E372-Y386 VanDerWaalsContact O-CA 3.26Å; E372-Y386 WeakPolarHBondContact O-CA 3.48Å; P373-Y386 HydrophobicContact CB-CE1 4.44Å; P373-Y386 HydrophobicContact CG-CD1 4.24Å; P373-Y386 HydrophobicContact CG-CE1 3.67Å; P384-Y386 WeakPolarHBondContact O-CD2 3.22Å
387	V	98.1	Very high	82.9	Confident	14 Å²	14	66.8 Å²	66.8	9%	0.085	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	143.5	-175.4	-60.4	0	0	0	0	111.6	I346 R347 A371 E372 A374 L385	I346-V387 VanDerWaalsContact O-CA 3.23Å; I346-V387 WeakPolarHBondContact O-CA 3.31Å; R347-V387 HydrophobicContact CG-CG1 4.05Å; A371-V387 CarbonylContact C-O 3.5Å; A371-V387 VanDerWaalsContact CA-O 3.3Å; A371-V387 WeakPolarHBondContact CA-O 3.38Å; E372-V387 PolarHBondContact N-O 2.98Å; E372-V387 PolarHBondContact O-N 2.82Å; A374-V387 HydrophobicContact CB-CG1 3.98Å; A374-V387 HydrophobicContact CB-CG2 4.4Å; L385-V387 HydrophobicContact CD2-CG1 4.25Å; L385-V387 HydrophobicContact CG-CG1 4.11Å
388	L	98.2	Very high	83.4	Confident	17 Å²	17	63.5 Å²	63.5	9%	0.089	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	121.5	174	179.5	67.5	0	0	0	108.4	H345 I346 V361 Q368 A371 W390	H345-L388 CarbonylContact C-O 3.59Å; H345-L388 WeakPolarHBondContact CA-O 3.03Å; I346-L388 HydrophobicContact CB-CB 4.29Å; I346-L388 HydrophobicContact CD1-CD2 4.35Å; I346-L388 PolarHBondContact N-O 2.93Å; I346-L388 PolarHBondContact O-N 3.41Å; V361-L388 HydrophobicContact CB-CD2 3.68Å; V361-L388 HydrophobicContact CG1-CD2 4.17Å; V361-L388 HydrophobicContact CG2-CD2 3.84Å; Q368-L388 HydrophobicContact CB-CD2 3.92Å; A371-L388 HydrophobicContact CB-CB 4.01Å; L388-W390 PolarHBondContact O-N 2.89Å
389	P	97.5	Very high	83.8	Confident	92 Å²	92	57.9 Å²	57.9	60%	0.597	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	137.2	172.4	-23.5	33.3	0	0	0	110.8
390	W	96.2	Very high	84.8	Confident	26 Å²	26	59.1 Å²	59.1	10%	0.098	35%	0.353	C	S	.	.			trans	-143.8	167.1	175.7	78.3	-21.8	0	0	0	111	P324 I340 S343 T344 I346 I363 L388 T392 W395 F423 L425	P324-W390 HydrophobicContact CB-CH2 3.79Å; P324-W390 HydrophobicContact CB-CZ2 4.47Å; P324-W390 HydrophobicContact CG-CH2 3.72Å; P324-W390 HydrophobicContact CG-CZ3 4Å; I340-W390 HydrophobicContact CG2-CZ2 4.47Å; S343-W390 PolarHBondContact O-NE1 3.38Å; S343-W390 VanDerWaalsContact OG-CZ2 3.27Å; S343-W390 WeakPolarHBondContact OG-CZ2 3.2Å; S343-W390 PolarHBondContact OG-NE1 3.17Å; T344-W390 PolarHBondContact O-N 2.63Å; I346-W390 HydrophobicContact CD1-CB 4.21Å; I346-W390 HydrophobicContact CD1-CD2 4.12Å; I346-W390 HydrophobicContact CD1-CE3 3.72Å; I346-W390 HydrophobicContact CD1-CG 4.36Å; I346-W390 HydrophobicContact CD1-CZ3 4.46Å; I346-W390 HydrophobicContact CG1-CB 4.07Å; I346-W390 HydrophobicContact CG1-CD2 3.5Å; I346-W390 HydrophobicContact CG1-CE3 3.5Å; I346-W390 HydrophobicContact CG1-CG 3.78Å; I346-W390 HydrophobicContact CG1-CZ3 4.17Å; I363-W390 HydrophobicContact CD1-CE3 4Å; I363-W390 HydrophobicContact CD1-CZ3 4.11Å; L388-W390 PolarHBondContact O-N 2.89Å; W390-T392 HydrophobicContact CD2-CG2 4.32Å; W390-T392 HydrophobicContact CH2-CG2 4.21Å; W390-T392 HydrophobicContact CZ2-CG2 3.45Å; W390-T392 VanDerWaalsContact CZ2-CG2 3.45Å; W390-W395 HydrophobicContact CB-CZ3 4.38Å; W390-W395 HydrophobicContact CD2-CZ3 4.19Å; W390-W395 AromaticContact CE3-CE3 3.93Å; W390-W395 HydrophobicContact CE3-CE3 3.93Å; W390-W395 HydrophobicContact CE3-CH2 4.2Å; W390-W395 AromaticContact CE3-CZ3 3.51Å; W390-W395 HydrophobicContact CE3-CZ3 3.51Å; W390-W395 HydrophobicContact CZ3-CE3 4.1Å; W390-W395 HydrophobicContact CZ3-CZ3 4.14Å; W390-F423 HydrophobicContact CH2-CE2 4.05Å; W390-F423 AromaticContact CZ3-CE2 3.92Å; W390-F423 HydrophobicContact CZ3-CE2 3.92Å; W390-F423 HydrophobicContact CZ3-CZ 4.04Å; W390-L425 HydrophobicContact CH2-CD2 3.9Å; W390-L425 HydrophobicContact CZ2-CD2 4.35Å
391	N	94.2	Very high	85.9	Confident	83 Å²	83	56.8 Å²	56.8	44%	0.444	33%	0.325	S	S	.	.			trans	-121.3	106.1	172.6	-178.8	2.4	0	0	0	109.8	S393 Q394 W395	N391-S393 VanDerWaalsContact CG-OG 3.28Å; N391-S393 PolarHBondContact ND2-OG 3.18Å; N391-S393 PolarHBondContact O-N 2.82Å; N391-S393 VanDerWaalsContact O-N 3.11Å; N391-S393 WeakPolarHBondContact OD1-CB 3.33Å; N391-S393 PolarHBondContact OD1-N 2.94Å; N391-S393 PolarHBondContact OD1-OG 3.04Å; N391-Q394 HydrophobicContact CB-CG 4.46Å; N391-Q394 WeakPolarHBondContact O-CB 3.44Å; N391-Q394 WeakPolarHBondContact O-CG 3.5Å; N391-Q394 PolarHBondContact O-N 3.18Å; N391-W395 VanDerWaalsContact O-CZ3 3.31Å; N391-W395 WeakPolarHBondContact O-CZ3 3.2Å
392	T	92.3	Very high	87.2	Confident	17 Å²	17	54.5 Å²	54.5	10%	0.104	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-59	-24.2	-178.9	53.7	0	0	0	0	113.2	I340 E341 S343 W390 Q394 W395 S396 L425	I340-T392 WeakPolarHBondContact O-CG2 3.37Å; E341-T392 VanDerWaalsContact O-CB 3.25Å; E341-T392 WeakPolarHBondContact O-CB 3.47Å; E341-T392 WeakPolarHBondContact O-CG2 3.22Å; E341-T392 PolarHBondContact O-OG1 3.45Å; S343-T392 WeakPolarHBondContact O-CG2 3.22Å; W390-T392 HydrophobicContact CD2-CG2 4.32Å; W390-T392 HydrophobicContact CH2-CG2 4.21Å; W390-T392 HydrophobicContact CZ2-CG2 3.45Å; W390-T392 VanDerWaalsContact CZ2-CG2 3.45Å; T392-Q394 PolarHBondContact O-N 3.22Å; T392-Q394 VanDerWaalsContact O-N 3.08Å; T392-W395 PolarHBondContact O-N 3.35Å; T392-S396 PolarHBondContact O-N 3.41Å; T392-S396 VanDerWaalsContact O-N 3.15Å; T392-S396 PolarHBondContact O-OG 3.42Å; T392-L425 HydrophobicContact CG2-CD2 4.32Å; T392-L425 VanDerWaalsContact O-CD1 3.31Å; T392-L425 WeakPolarHBondContact O-CD1 3.43Å
393	S	89.5	Confident	87.9	Confident	72 Å²	72	51 Å²	51	50%	0.503	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-59.5	-24.9	179.4	80.4	0	0	0	0	112.7	N391 W395 S396	N391-S393 VanDerWaalsContact CG-OG 3.28Å; N391-S393 PolarHBondContact ND2-OG 3.18Å; N391-S393 PolarHBondContact O-N 2.82Å; N391-S393 VanDerWaalsContact O-N 3.11Å; N391-S393 WeakPolarHBondContact OD1-CB 3.33Å; N391-S393 PolarHBondContact OD1-N 2.94Å; N391-S393 PolarHBondContact OD1-OG 3.04Å; S393-W395 PolarHBondContact O-N 3.46Å; S393-S396 PolarHBondContact O-N 3.46Å
394	Q	88.5	Confident	88.1	Confident	122 Å²	122	53.2 Å²	53.2	57%	0.57	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-64.8	-28	176.8	-63.5	-177.4	-1.2	0	0	113	N391 T392	N391-Q394 HydrophobicContact CB-CG 4.46Å; N391-Q394 WeakPolarHBondContact O-CB 3.44Å; N391-Q394 WeakPolarHBondContact O-CG 3.5Å; N391-Q394 PolarHBondContact O-N 3.18Å; T392-Q394 PolarHBondContact O-N 3.22Å; T392-Q394 VanDerWaalsContact O-N 3.08Å
395	W	88	Confident	88.2	Confident	25 Å²	25	52.1 Å²	52.1	10%	0.095	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	5.2	-177.8	-58.5	-76.9	0	0	0	113	I363 W390 N391 T392 S393 H403 L425	I363-W395 HydrophobicContact CB-CZ2 4.07Å; I363-W395 HydrophobicContact CD1-CH2 3.76Å; I363-W395 HydrophobicContact CD1-CZ2 3.63Å; I363-W395 HydrophobicContact CD1-CZ3 4.33Å; I363-W395 HydrophobicContact CG1-CZ2 4.43Å; I363-W395 HydrophobicContact CG2-CZ2 3.98Å; W390-W395 HydrophobicContact CB-CZ3 4.38Å; W390-W395 HydrophobicContact CD2-CZ3 4.19Å; W390-W395 AromaticContact CE3-CE3 3.93Å; W390-W395 HydrophobicContact CE3-CE3 3.93Å; W390-W395 HydrophobicContact CE3-CH2 4.2Å; W390-W395 AromaticContact CE3-CZ3 3.51Å; W390-W395 HydrophobicContact CE3-CZ3 3.51Å; W390-W395 HydrophobicContact CZ3-CE3 4.1Å; W390-W395 HydrophobicContact CZ3-CZ3 4.14Å; N391-W395 VanDerWaalsContact O-CZ3 3.31Å; N391-W395 WeakPolarHBondContact O-CZ3 3.2Å; T392-W395 PolarHBondContact O-N 3.35Å; S393-W395 PolarHBondContact O-N 3.46Å; W395-H403 AromaticContact CD1-CE1 3.53Å; W395-H403 AromaticContact CD1-CG 3.8Å; W395-H403 AromaticContact CD1-ND1 3.44Å; W395-H403 AromaticContact CD1-NE2 3.93Å; W395-H403 PolarHBondContact O-NE2 2.75Å; W395-L425 HydrophobicContact CB-CD1 3.82Å
396	S	81.7	Confident	88.3	Confident	27 Å²	27	56.1 Å²	56.1	19%	0.189	31%	0.307	C	S	.	.			trans	-91.6	-6.7	-176.4	-60.5	0	0	0	0	114.1	T392 S393 N398 L425	T392-S396 PolarHBondContact O-N 3.41Å; T392-S396 VanDerWaalsContact O-N 3.15Å; T392-S396 PolarHBondContact O-OG 3.42Å; S393-S396 PolarHBondContact O-N 3.46Å; S396-N398 PolarHBondContact O-N 2.69Å; S396-L425 VanDerWaalsContact OG-CD1 3.28Å; S396-L425 WeakPolarHBondContact OG-CD1 3.31Å
397	A	76.7	Confident	88.3	Confident	99 Å²	99	54.8 Å²	54.8	82%	0.818	30%	0.302	S	S	*	.	S	Bend	trans	-64.7	-37.7	-171.6	0	0	0	0	0	113.3
398	N	75.1	Confident	88.3	Confident	84 Å²	84	55.1 Å²	55.1	45%	0.449	30%	0.304	S	S	.	.			trans	-109.9	111.1	173.3	-174.7	-10.3	0	0	0	109.4	S396 Y400 S401	S396-N398 PolarHBondContact O-N 2.69Å; N398-Y400 PolarHBondContact O-N 2.95Å; N398-Y400 WeakPolarHBondContact OD1-CB 3.47Å; N398-Y400 PolarHBondContact OD1-N 3.2Å; N398-S401 PolarHBondContact O-N 3.48Å; N398-S401 PolarHBondContact O-OG 2.69Å
399	P	66.4	Low	88.3	Confident	47 Å²	47	54.3 Å²	54.3	31%	0.305	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.2	179.5	25.4	-33.4	0	0	0	113.8	R426	P399-R426 HydrophobicContact CB-CB 4.11Å; P399-R426 HydrophobicContact CB-CG 4.5Å
400	Y	66.9	Low	88.2	Confident	156 Å²	156	52.1 Å²	52.1	61%	0.612	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	5.1	-179.2	-53.8	-71	0	0	0	114	N398	N398-Y400 PolarHBondContact O-N 2.95Å; N398-Y400 WeakPolarHBondContact OD1-CB 3.47Å; N398-Y400 PolarHBondContact OD1-N 3.2Å
401	S	78	Confident	88.1	Confident	24 Å²	24	50.9 Å²	50.9	17%	0.168	28%	0.276	C	S	.	.			trans	-77.1	139.2	178.3	53.1	0	0	0	0	112.1	N398 H403 S424	N398-S401 PolarHBondContact O-N 3.48Å; N398-S401 PolarHBondContact O-OG 2.69Å; S401-H403 WeakPolarHBondContact CB-NE2 3.46Å; S401-H403 PolarHBondContact OG-NE2 3.07Å; S401-S424 PolarHBondContact O-OG 3.01Å; S401-S424 VanDerWaalsContact O-OG 3.09Å
402	F	86.6	Confident	88.2	Confident	74 Å²	74	49.4 Å²	49.4	33%	0.325	28%	0.275	S	S	.	.			trans	-98.9	137.2	160.8	-68	-83.1	0	0	0	107.8	A327 R428 V430	A327-F402 HydrophobicContact CB-CD1 4.04Å; A327-F402 HydrophobicContact CB-CE1 3.92Å; F402-R428 WeakPolarHBondContact CE1-O 2.96Å; F402-R428 HydrophobicContact CZ-CB 3.94Å; F402-R428 HydrophobicContact CZ-CG 4.26Å; F402-R428 WeakPolarHBondContact CZ-O 3.25Å; F402-V430 HydrophobicContact CD1-CG2 4.5Å; F402-V430 HydrophobicContact CE1-CB 4.34Å; F402-V430 HydrophobicContact CE1-CG2 3.54Å; F402-V430 HydrophobicContact CE2-CG2 3.72Å; F402-V430 HydrophobicContact CZ-CB 4.31Å; F402-V430 HydrophobicContact CZ-CG2 3.1Å
403	H	91.8	Very high	88.1	Confident	21 Å²	21	53.7 Å²	53.7	10%	0.097	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152.1	175.1	-64.3	-72.5	0	0	0	108.9	I363 D364 W395 S401 S422 F423	I363-H403 HydrophobicContact CG2-CB 4.39Å; D364-H403 WeakPolarHBondContact OD1-CA 3.06Å; D364-H403 IonicContact OD1-ND1 2.69Å; D364-H403 IonicContact OD2-CE1 3.7Å; D364-H403 IonicContact OD2-CG 2.85Å; D364-H403 IonicContact OD2-ND1 3.29Å; D364-H403 PolarHBondContact OD2-ND1 3.08Å; W395-H403 AromaticContact CD1-CE1 3.53Å; W395-H403 AromaticContact CD1-CG 3.8Å; W395-H403 AromaticContact CD1-ND1 3.44Å; W395-H403 AromaticContact CD1-NE2 3.93Å; W395-H403 PolarHBondContact O-NE2 2.75Å; S401-H403 WeakPolarHBondContact CB-NE2 3.46Å; S401-H403 PolarHBondContact OG-NE2 3.07Å; H403-S422 CarbonylContact O-C 3.44Å; H403-S422 VanDerWaalsContact O-CA 3.24Å; H403-S422 WeakPolarHBondContact O-CA 3.44Å; H403-F423 HydrophobicContact CB-CD1 3.94Å; H403-F423 HydrophobicContact CB-CD2 4.34Å; H403-F423 HydrophobicContact CB-CE1 3.38Å; H403-F423 HydrophobicContact CB-CE2 3.84Å; H403-F423 HydrophobicContact CB-CG 4.4Å; H403-F423 HydrophobicContact CB-CZ 3.32Å; H403-F423 PolarHBondContact N-O 3.17Å; H403-F423 WeakPolarHBondContact O-CD1 3.31Å; H403-F423 PolarHBondContact O-N 3.01Å
404	V	94.9	Very high	88.1	Confident	68 Å²	68	55.6 Å²	55.6	41%	0.412	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.2	178.5	-179.8	0	0	0	0	108.2	I363 D364 V420	I363-V404 CarbonylContact C-O 3.5Å; I363-V404 WeakPolarHBondContact CA-O 3.4Å; D364-V404 PolarHBondContact N-O 2.73Å; D364-V404 PolarHBondContact OD1-N 3.16Å; V404-V420 HydrophobicContact CG1-CG1 3.42Å; V404-V420 VanDerWaalsContact CG1-CG1 3.42Å
405	I	97.5	Very high	88.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	131.1	170.1	-173.4	169.7	0	0	0	109.1	I321 P324 I346 V361 S362 I363 V407 V420 Q421 F423	I321-I405 HydrophobicContact CD1-CG1 4.41Å; I321-I405 HydrophobicContact CD1-CG2 3.9Å; I321-I405 HydrophobicContact CG2-CD1 4.25Å; I321-I405 HydrophobicContact CG2-CG2 4.41Å; P324-I405 HydrophobicContact CG-CD1 4.34Å; I346-I405 HydrophobicContact CD1-CD1 4.22Å; I346-I405 HydrophobicContact CG2-CD1 3.91Å; V361-I405 HydrophobicContact CG1-CD1 3.93Å; V361-I405 HydrophobicContact CG1-CG1 4.08Å; S362-I405 WeakPolarHBondContact O-CA 3.35Å; I363-I405 HydrophobicContact CG1-CB 4.32Å; I363-I405 HydrophobicContact CG1-CD1 4.43Å; I363-I405 HydrophobicContact CG1-CG1 4.11Å; I405-V407 HydrophobicContact CD1-CG2 4.33Å; I405-V407 HydrophobicContact CG1-CG2 4.19Å; I405-V420 WeakPolarHBondContact O-CA 3.29Å; I405-Q421 HydrophobicContact CG2-CG 3.57Å; I405-Q421 WeakPolarHBondContact CG2-O 3.35Å; I405-Q421 PolarHBondContact N-O 2.73Å; I405-Q421 PolarHBondContact O-N 3.05Å; I405-F423 HydrophobicContact CB-CD1 3.87Å; I405-F423 HydrophobicContact CB-CE1 3.82Å; I405-F423 HydrophobicContact CG2-CD1 3.79Å; I405-F423 HydrophobicContact CG2-CE1 4.27Å
406	E	98.5	Very high	88.5	Confident	83 Å²	83	55.7 Å²	55.7	39%	0.388	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.3	172	178.7	178.6	128	0	0	108.9	S362 T418 V419 V420	S362-E406 PolarHBondContact N-O 3.06Å; S362-E406 PolarHBondContact O-N 2.77Å; E406-T418 HydrophobicContact CG-CG2 3.8Å; E406-V419 WeakPolarHBondContact CA-O 3.32Å; E406-V420 HydrophobicContact CB-CG2 4.15Å; E406-V420 HydrophobicContact CG-CG2 3.89Å
407	V	98.6	Very high	89	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.9	175.9	176.8	0	0	0	0	109.2	I319 I321 I348 V359 S360 V361 I405 T418 V419	I319-V407 HydrophobicContact CD1-CG1 4.49Å; I319-V407 HydrophobicContact CG2-CB 4.18Å; I319-V407 HydrophobicContact CG2-CG1 3.82Å; I321-V407 HydrophobicContact CD1-CB 4Å; I321-V407 HydrophobicContact CD1-CG2 3.5Å; I321-V407 VanDerWaalsContact CD1-CG2 3.5Å; I321-V407 HydrophobicContact CG1-CB 4.25Å; I321-V407 HydrophobicContact CG1-CG2 3.79Å; I348-V407 HydrophobicContact CD1-CB 4.47Å; I348-V407 HydrophobicContact CD1-CG1 3.89Å; I348-V407 HydrophobicContact CD1-CG2 3.69Å; I348-V407 HydrophobicContact CG1-CG2 4.22Å; I348-V407 HydrophobicContact CG2-CG1 4.09Å; V359-V407 HydrophobicContact CG1-CG1 3.68Å; S360-V407 WeakPolarHBondContact O-CA 3.39Å; V361-V407 HydrophobicContact CG1-CG2 4.39Å; V361-V407 HydrophobicContact CG2-CG2 4.29Å; I405-V407 HydrophobicContact CD1-CG2 4.33Å; I405-V407 HydrophobicContact CG1-CG2 4.19Å; V407-T418 CarbonylContact O-C 3.42Å; V407-T418 VanDerWaalsContact O-CA 3.27Å; V407-T418 WeakPolarHBondContact O-CA 3.48Å; V407-V419 PolarHBondContact N-O 2.9Å; V407-V419 PolarHBondContact O-N 2.76Å
408	T	97.8	Very high	89.9	Confident	20 Å²	20	53.5 Å²	53.5	12%	0.123	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.4	175.2	-68.3	0	0	0	0	109.8	V359 S360 Q416 G417 T418	V359-T408 CarbonylContact C-O 3.59Å; S360-T408 PolarHBondContact N-O 3.17Å; S360-T408 PolarHBondContact O-N 2.84Å; T408-Q416 HydrophobicContact CG2-CG 3.6Å; T408-G417 CarbonylContact C-O 3.49Å; T408-G417 VanDerWaalsContact CA-O 3.3Å; T408-G417 WeakPolarHBondContact CA-O 3.26Å; T408-T418 WeakPolarHBondContact OG1-CG2 3.3Å; T408-T418 PolarHBondContact OG1-OG1 3.43Å
409	A	97.5	Very high	90.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	142.7	175.5	0	0	0	0	0	110.8	P317 I319 V350 R358 V359 Q416 G417	P317-A409 HydrophobicContact CB-CB 4.01Å; P317-A409 HydrophobicContact CG-CB 3.97Å; I319-A409 HydrophobicContact CD1-CB 3.61Å; I319-A409 HydrophobicContact CG1-CB 3.9Å; V350-A409 HydrophobicContact CG1-CB 3.67Å; R358-A409 WeakPolarHBondContact O-CA 2.79Å; V359-A409 HydrophobicContact CG2-CB 4.19Å; A409-Q416 WeakPolarHBondContact O-CA 3.34Å; A409-G417 PolarHBondContact N-O 2.79Å; A409-G417 PolarHBondContact O-N 3.05Å
410	K	96	Very high	92.3	Very high	47 Å²	47	53.1 Å²	53.1	20%	0.204	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	134.6	178.6	-172.7	176.7	-179.2	179.3	0	110.6	L357 R358 N414 N415	L357-K410 PolarHBondContact N-O 2.82Å; R358-K410 HydrophobicContact CG-CB 4.08Å; R358-K410 PolarHBondContact N-O 3.35Å; R358-K410 PolarHBondContact O-N 2.69Å; K410-N414 WeakPolarHBondContact CE-OD1 3.36Å; K410-N414 PolarHBondContact NZ-OD1 3.37Å; K410-N415 WeakPolarHBondContact CA-O 3.23Å
411	D	94.7	Very high	93.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	175	178.2	73.6	23	0	0	0	113.8	P317 S352 P355 I356 L357 N413 N414 N415	P317-D411 HydrophobicContact CG-CB 4.25Å; S352-D411 PolarHBondContact OG-OD2 2.86Å; P355-D411 CarbonylContact O-C 3.55Å; P355-D411 VanDerWaalsContact O-CA 3.31Å; P355-D411 WeakPolarHBondContact O-CA 3.4Å; P355-D411 WeakPolarHBondContact O-CB 3.38Å; I356-D411 HydrophobicContact CD1-CB 4.26Å; L357-D411 WeakPolarHBondContact CD1-O 3.17Å; D411-N413 PolarHBondContact O-N 2.75Å; D411-N413 WeakPolarHBondContact OD1-CA 3.14Å; D411-N413 PolarHBondContact OD1-N 3.43Å; D411-N414 PolarHBondContact O-N 3.28Å; D411-N414 PolarHBondContact OD1-N 2.73Å; D411-N415 PolarHBondContact N-O 3.3Å; D411-N415 WeakPolarHBondContact OD1-CB 3.28Å; D411-N415 PolarHBondContact OD1-N 3.21Å; D411-N415 PolarHBondContact OD1-ND2 2.92Å; D411-N415 WeakPolarHBondContact OD2-CB 3.48Å; D411-N415 PolarHBondContact OD2-ND2 3.12Å
412	A	94.7	Very high	94.3	Very high	51 Å²	51	46.8 Å²	46.8	42%	0.421	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.7	-178.2	0	0	0	0	0	114.1	P355 L357	P355-A412 HydrophobicContact CB-CB 4.37Å; P355-A412 PolarHBondContact O-N 2.72Å; L357-A412 HydrophobicContact CD2-CB 4.24Å; L357-A412 HydrophobicContact CG-CB 4.42Å
413	N	91	Very high	94.6	Very high	108 Å²	108	43.2 Å²	43.2	58%	0.578	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	11	174.2	-74.2	6.6	0	0	0	112	S354 D411 N415	S354-N413 PolarHBondContact OG-ND2 2.76Å; S354-N413 PolarHBondContact OG-OD1 3.36Å; D411-N413 PolarHBondContact O-N 2.75Å; D411-N413 WeakPolarHBondContact OD1-CA 3.14Å; D411-N413 PolarHBondContact OD1-N 3.43Å; N413-N415 PolarHBondContact O-N 2.67Å
414	N	90.1	Very high	94.5	Very high	111 Å²	111	42.4 Å²	42.4	59%	0.594	24%	0.24	S	C	*	.			trans	68.7	11.9	-179.9	-142.4	44.1	0	0	0	113.2	K410 D411	K410-N414 WeakPolarHBondContact CE-OD1 3.36Å; K410-N414 PolarHBondContact NZ-OD1 3.37Å; D411-N414 PolarHBondContact O-N 3.28Å; D411-N414 PolarHBondContact OD1-N 2.73Å
415	N	90.9	Very high	94.2	Very high	42 Å²	42	39.4 Å²	39.4	23%	0.225	22%	0.221	C	C	.	.			trans	-70.2	147.9	171.1	-48.8	-56.8	0	0	0	109.1	W316 K410 D411 N413	W316-N415 VanDerWaalsContact O-CB 3.28Å; W316-N415 WeakPolarHBondContact O-CB 3.38Å; K410-N415 WeakPolarHBondContact CA-O 3.23Å; D411-N415 PolarHBondContact N-O 3.3Å; D411-N415 WeakPolarHBondContact OD1-CB 3.28Å; D411-N415 PolarHBondContact OD1-N 3.21Å; D411-N415 PolarHBondContact OD1-ND2 2.92Å; D411-N415 WeakPolarHBondContact OD2-CB 3.48Å; D411-N415 PolarHBondContact OD2-ND2 3.12Å; N413-N415 PolarHBondContact O-N 2.67Å
416	Q	92.6	Very high	93.3	Very high	108 Å²	108	44.7 Å²	44.7	51%	0.505	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	129.8	-177.5	-176.9	177.4	-39.9	0	0	110.2	T408 A409	T408-Q416 HydrophobicContact CG2-CG 3.6Å; A409-Q416 WeakPolarHBondContact O-CA 3.34Å
417	G	92.5	Very high	91.7	Very high	11 Å²	11	44.5 Å²	44.5	11%	0.113	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.2	172	0	0	0	0	0	109.4	I319 T408 A409	I319-G417 WeakPolarHBondContact CD1-O 3.38Å; T408-G417 CarbonylContact C-O 3.49Å; T408-G417 VanDerWaalsContact CA-O 3.3Å; T408-G417 WeakPolarHBondContact CA-O 3.26Å; A409-G417 PolarHBondContact N-O 2.79Å; A409-G417 PolarHBondContact O-N 3.05Å
418	T	95.3	Very high	90.1	Very high	69 Å²	69	51.1 Å²	51.1	42%	0.423	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	130.7	175.6	-61	0	0	0	0	109.5	E406 V407 T408 V420	E406-T418 HydrophobicContact CG-CG2 3.8Å; V407-T418 CarbonylContact O-C 3.42Å; V407-T418 VanDerWaalsContact O-CA 3.27Å; V407-T418 WeakPolarHBondContact O-CA 3.48Å; T408-T418 WeakPolarHBondContact OG1-CG2 3.3Å; T408-T418 PolarHBondContact OG1-OG1 3.43Å; T418-V420 HydrophobicContact CG2-CG2 4.45Å
419	V	96.1	Very high	88.5	Confident	39 Å²	39	51.4 Å²	51.4	24%	0.236	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.8	174.6	168.6	0	0	0	0	109.2	I319 I321 E406 V407	I319-V419 HydrophobicContact CB-CB 4.27Å; I319-V419 HydrophobicContact CB-CG2 3.77Å; I319-V419 HydrophobicContact CG2-CB 4.14Å; I319-V419 HydrophobicContact CG2-CG2 4.19Å; I321-V419 HydrophobicContact CD1-CG1 4.05Å; I321-V419 HydrophobicContact CG1-CG1 4.45Å; E406-V419 WeakPolarHBondContact CA-O 3.32Å; V407-V419 PolarHBondContact N-O 2.9Å; V407-V419 PolarHBondContact O-N 2.76Å
420	V	96.1	Very high	86.8	Confident	84 Å²	84	54.3 Å²	54.3	51%	0.509	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.5	176.5	-177.5	0	0	0	0	108.2	V404 I405 E406 T418	V404-V420 HydrophobicContact CG1-CG1 3.42Å; V404-V420 VanDerWaalsContact CG1-CG1 3.42Å; I405-V420 WeakPolarHBondContact O-CA 3.29Å; E406-V420 HydrophobicContact CB-CG2 4.15Å; E406-V420 HydrophobicContact CG-CG2 3.89Å; T418-V420 HydrophobicContact CG2-CG2 4.45Å
421	Q	94.8	Very high	85.5	Confident	18 Å²	18	54.9 Å²	54.9	8%	0.084	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.5	171.4	72.6	-172.7	31.6	0	0	111.9	I321 P324 N326 I405	I321-Q421 HydrophobicContact CD1-CG 4.05Å; I321-Q421 PolarHBondContact O-NE2 3.42Å; P324-Q421 PolarHBondContact O-NE2 3.21Å; N326-Q421 HydrophobicContact CB-CB 4.24Å; N326-Q421 HydrophobicContact CB-CG 4.32Å; N326-Q421 VanDerWaalsContact N-NE2 3.13Å; I405-Q421 HydrophobicContact CG2-CG 3.57Å; I405-Q421 WeakPolarHBondContact CG2-O 3.35Å; I405-Q421 PolarHBondContact N-O 2.73Å; I405-Q421 PolarHBondContact O-N 3.05Å
422	S	93	Very high	83.9	Confident	28 Å²	28	59 Å²	59	20%	0.196	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	140.3	168.9	51.4	0	0	0	0	110	N326 A327 N328 H403	N326-S422 CarbonylContact C-O 3.6Å; N326-S422 WeakPolarHBondContact CA-O 3.43Å; N326-S422 PolarHBondContact OD1-O 2.73Å; A327-S422 PolarHBondContact N-O 3.46Å; N328-S422 PolarHBondContact ND2-OG 2.98Å; H403-S422 CarbonylContact O-C 3.44Å; H403-S422 VanDerWaalsContact O-CA 3.24Å; H403-S422 WeakPolarHBondContact O-CA 3.44Å
423	F	93.1	Very high	82.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	162.2	170.5	72.1	-85.6	0	0	0	110.7	P324 I363 W390 H403 I405 L425	P324-F423 HydrophobicContact CB-CB 3.72Å; P324-F423 HydrophobicContact CB-CD1 4.47Å; P324-F423 HydrophobicContact CB-CD2 3.57Å; P324-F423 HydrophobicContact CB-CE2 4.28Å; P324-F423 HydrophobicContact CB-CG 3.68Å; P324-F423 HydrophobicContact CG-CB 3.8Å; P324-F423 HydrophobicContact CG-CD1 3.69Å; P324-F423 HydrophobicContact CG-CD2 3.53Å; P324-F423 HydrophobicContact CG-CE1 4.08Å; P324-F423 HydrophobicContact CG-CE2 3.94Å; P324-F423 HydrophobicContact CG-CG 3.39Å; P324-F423 HydrophobicContact CG-CZ 4.19Å; I363-F423 HydrophobicContact CD1-CE1 4.43Å; I363-F423 HydrophobicContact CD1-CZ 4.18Å; I363-F423 HydrophobicContact CG1-CE1 4.42Å; I363-F423 HydrophobicContact CG2-CE1 4.01Å; I363-F423 HydrophobicContact CG2-CZ 3.97Å; W390-F423 HydrophobicContact CH2-CE2 4.05Å; W390-F423 AromaticContact CZ3-CE2 3.92Å; W390-F423 HydrophobicContact CZ3-CE2 3.92Å; W390-F423 HydrophobicContact CZ3-CZ 4.04Å; H403-F423 HydrophobicContact CB-CD1 3.94Å; H403-F423 HydrophobicContact CB-CD2 4.34Å; H403-F423 HydrophobicContact CB-CE1 3.38Å; H403-F423 HydrophobicContact CB-CE2 3.84Å; H403-F423 HydrophobicContact CB-CG 4.4Å; H403-F423 HydrophobicContact CB-CZ 3.32Å; H403-F423 PolarHBondContact N-O 3.17Å; H403-F423 WeakPolarHBondContact O-CD1 3.31Å; H403-F423 PolarHBondContact O-N 3.01Å; I405-F423 HydrophobicContact CB-CD1 3.87Å; I405-F423 HydrophobicContact CB-CE1 3.82Å; I405-F423 HydrophobicContact CG2-CD1 3.79Å; I405-F423 HydrophobicContact CG2-CE1 4.27Å; F423-L425 HydrophobicContact CD2-CD2 4.38Å; F423-L425 HydrophobicContact CE2-CD2 4.28Å
424	S	89.6	Confident	81.3	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.021	31%	0.306	C	S	.	.			trans	-141.1	147.1	170.2	-170	0	0	0	0	108.8	F337 S401 R426	F337-S424 WeakPolarHBondContact CE2-O 3.49Å; F337-S424 WeakPolarHBondContact CZ-O 3.35Å; S401-S424 PolarHBondContact O-OG 3.01Å; S401-S424 VanDerWaalsContact O-OG 3.09Å; S424-R426 PolarHBondContact OG-O 2.94Å
425	L	87.9	Confident	80.5	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.031	31%	0.305	C	S	.	.	S	Bend	trans	-88.7	-24	177.5	-61.3	-177.6	0	0	0	112.2	I340 W390 T392 W395 S396 F423	I340-L425 HydrophobicContact CG2-CD2 3.69Å; W390-L425 HydrophobicContact CH2-CD2 3.9Å; W390-L425 HydrophobicContact CZ2-CD2 4.35Å; T392-L425 HydrophobicContact CG2-CD2 4.32Å; T392-L425 VanDerWaalsContact O-CD1 3.31Å; T392-L425 WeakPolarHBondContact O-CD1 3.43Å; W395-L425 HydrophobicContact CB-CD1 3.82Å; S396-L425 VanDerWaalsContact OG-CD1 3.28Å; S396-L425 WeakPolarHBondContact OG-CD1 3.31Å; F423-L425 HydrophobicContact CD2-CD2 4.38Å; F423-L425 HydrophobicContact CE2-CD2 4.28Å
426	R	77.9	Confident	79.9	Confident	111 Å²	111	58.3 Å²	58.3	42%	0.419	31%	0.313	S	S	.	.	S	Bend	trans	-126.7	152.1	-178	-76.2	-175.3	174.5	-170.5	5.8	111.1	E341 P399 S424 R428	E341-R426 IonicContact OE1-CZ 3.36Å; E341-R426 IonicContact OE1-NE 3.2Å; E341-R426 PolarHBondContact OE1-NE 2.95Å; E341-R426 IonicContact OE1-NH2 3.32Å; E341-R426 PolarHBondContact OE1-NH2 3.47Å; E341-R426 IonicContact OE2-NE 3.53Å; E341-R426 PolarHBondContact OE2-NE 3.1Å; P399-R426 HydrophobicContact CB-CB 4.11Å; P399-R426 HydrophobicContact CB-CG 4.5Å; S424-R426 PolarHBondContact OG-O 2.94Å; R426-R428 PolarHBondContact O-N 2.74Å
427	N	66.5	Low	79.1	Confident	79 Å²	79	53.8 Å²	53.8	42%	0.422	29%	0.293	S	S	.	.	S	Bend	trans	-68.1	99.7	-148.9	-145.6	5.3	0	0	0	112.8	P332 F337	P332-N427 WeakPolarHBondContact CG-OD1 3.28Å; F337-N427 HydrophobicContact CD1-CB 4.29Å; F337-N427 WeakPolarHBondContact CD1-OD1 3.4Å; F337-N427 HydrophobicContact CE1-CB 4Å
428	R	64.2	Low	78.5	Confident	138 Å²	138	54.6 Å²	54.6	52%	0.521	29%	0.293	S	S	.	.			trans	-151.3	95.3	168.1	-147.8	-179.3	-162.9	-159.6	3.4	110.1	F402 R426 V430	F402-R428 WeakPolarHBondContact CE1-O 2.96Å; F402-R428 HydrophobicContact CZ-CB 3.94Å; F402-R428 HydrophobicContact CZ-CG 4.26Å; F402-R428 WeakPolarHBondContact CZ-O 3.25Å; R426-R428 PolarHBondContact O-N 2.74Å; R428-V430 PolarHBondContact O-N 3.34Å
429	A	63.1	Low	77.8	Confident	27 Å²	27	54.4 Å²	54.4	22%	0.223	29%	0.286	C	S	.	.			trans	-71.3	126.3	169.3	0	0	0	0	0	109	L330 Y431	L330-A429 HydrophobicContact CB-CB 4.03Å; A429-Y431 HydrophobicContact CB-CD1 4.35Å; A429-Y431 HydrophobicContact CB-CD2 4.44Å; A429-Y431 HydrophobicContact CB-CE1 3.54Å; A429-Y431 HydrophobicContact CB-CE2 3.65Å; A429-Y431 WeakPolarHBondContact CB-OH 3.37Å
430	V	63.3	Low	77.1	Confident	60 Å²	60	53.2 Å²	53.2	36%	0.364	28%	0.279	S	S	.	.			trans	-106.4	117.1	169.9	173.6	0	0	0	0	105.1	N328 F402 R428 P432	N328-V430 WeakPolarHBondContact CA-O 3.27Å; N328-V430 PolarHBondContact OD1-O 3.11Å; F402-V430 HydrophobicContact CD1-CG2 4.5Å; F402-V430 HydrophobicContact CE1-CB 4.34Å; F402-V430 HydrophobicContact CE1-CG2 3.54Å; F402-V430 HydrophobicContact CE2-CG2 3.72Å; F402-V430 HydrophobicContact CZ-CB 4.31Å; F402-V430 HydrophobicContact CZ-CG2 3.1Å; R428-V430 PolarHBondContact O-N 3.34Å; V430-P432 VanDerWaalsContact C-CD 3.45Å; V430-P432 WeakPolarHBondContact O-CD 3.28Å
431	Y	67.3	Low	76.5	Confident	60 Å²	60	49.2 Å²	49.2	24%	0.235	26%	0.255	C	S	.	.			trans	-100.6	88.3	-179.7	-54.7	-64.9	0	0	0	108.4	L270 W276 N328 L330 A429 I433	L270-Y431 HydrophobicContact CD2-CD1 4.16Å; L270-Y431 HydrophobicContact CD2-CD2 4.13Å; L270-Y431 HydrophobicContact CD2-CE1 3.58Å; L270-Y431 HydrophobicContact CD2-CE2 3.54Å; L270-Y431 HydrophobicContact CD2-CG 4.4Å; L270-Y431 WeakPolarHBondContact CD2-OH 3.26Å; W276-Y431 AromaticContact CH2-CD1 3.56Å; W276-Y431 HydrophobicContact CH2-CD1 3.56Å; W276-Y431 AromaticContact CH2-CE1 3.99Å; W276-Y431 HydrophobicContact CH2-CE1 3.99Å; W276-Y431 AromaticContact CZ2-CD1 3.6Å; W276-Y431 HydrophobicContact CZ2-CD1 3.6Å; W276-Y431 AromaticContact CZ2-CE1 3.52Å; W276-Y431 HydrophobicContact CZ2-CE1 3.52Å; N328-Y431 WeakPolarHBondContact O-CD1 3.49Å; L330-Y431 PolarHBondContact O-OH 3.14Å; A429-Y431 HydrophobicContact CB-CD1 4.35Å; A429-Y431 HydrophobicContact CB-CD2 4.44Å; A429-Y431 HydrophobicContact CB-CE1 3.54Å; A429-Y431 HydrophobicContact CB-CE2 3.65Å; A429-Y431 WeakPolarHBondContact CB-OH 3.37Å; Y431-I433 VanDerWaalsContact C-N 3.31Å; Y431-I433 PolarHBondContact O-N 3.1Å
432	P	61.3	Low	75.8	Confident	87 Å²	87	49.8 Å²	49.8	57%	0.565	26%	0.262	S	S	*	.			trans	-71.8	93.9	173	30.7	-33.2	0	0	0	107.5	N328 V430	N328-P432 HydrophobicContact CB-CG 3.93Å; N328-P432 VanDerWaalsContact CG-CG 3.42Å; N328-P432 VanDerWaalsContact OD1-CD 3.29Å; N328-P432 WeakPolarHBondContact OD1-CD 3.44Å; V430-P432 VanDerWaalsContact C-CD 3.45Å; V430-P432 WeakPolarHBondContact O-CD 3.28Å
433	I	61.3	Low	75.1	Confident	58 Å²	58	49.7 Å²	49.7	30%	0.297	26%	0.26	S	S	.	.			trans	-102.4	122.6	-179.5	-58.6	163.8	0	0	0	107.7	F269 Y431 F435 K438	F269-I433 HydrophobicContact CD2-CD1 3.75Å; F269-I433 HydrophobicContact CD2-CG1 4.33Å; F269-I433 HydrophobicContact CD2-CG2 3.72Å; F269-I433 HydrophobicContact CE2-CD1 3.54Å; F269-I433 HydrophobicContact CE2-CG2 4.09Å; Y431-I433 VanDerWaalsContact C-N 3.31Å; Y431-I433 PolarHBondContact O-N 3.1Å; I433-F435 PolarHBondContact O-N 3.38Å; I433-K438 HydrophobicContact CG2-CB 3.64Å; I433-K438 HydrophobicContact CG2-CG 4.5Å
434	G	69.7	Low	74.7	Confident	42 Å²	42	51.9 Å²	51.9	43%	0.433	28%	0.275	S	S	.	.			trans	-63.1	133.1	169	0	0	0	0	0	110	V436 S437 K438	G434-V436 PolarHBondContact O-N 3.44Å; G434-V436 VanDerWaalsContact O-N 3.16Å; G434-S437 PolarHBondContact O-N 3.44Å; G434-S437 VanDerWaalsContact O-N 3.09Å; G434-K438 PolarHBondContact O-N 2.96Å
435	F	74.4	Confident	74.6	Confident	135 Å²	135	53 Å²	53	59%	0.592	28%	0.281	S	S	*	.	H	α-helix	trans	-51.5	-41.6	-178.7	176.1	-96.1	0	0	0	112.6	L26 I433 K438 F439	L26-F435 HydrophobicContact CD2-CD2 4.12Å; L26-F435 HydrophobicContact CD2-CE2 3.68Å; L26-F435 HydrophobicContact CD2-CZ 4.23Å; I433-F435 PolarHBondContact O-N 3.38Å; F435-K438 PolarHBondContact O-N 2.95Å; F435-F439 WeakPolarHBondContact O-CB 3.07Å; F435-F439 PolarHBondContact O-N 3.14Å
436	V	76.9	Confident	74.5	Confident	62 Å²	62	53.3 Å²	53.3	38%	0.376	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-48	179.1	-179.3	0	0	0	0	111.3	A264 G434 K438 F439 L440	A264-V436 HydrophobicContact CB-CG1 3.97Å; G434-V436 PolarHBondContact O-N 3.44Å; G434-V436 VanDerWaalsContact O-N 3.16Å; V436-K438 VanDerWaalsContact C-N 3.34Å; V436-K438 PolarHBondContact O-N 3.03Å; V436-F439 WeakPolarHBondContact O-CB 3.37Å; V436-F439 PolarHBondContact O-N 3.39Å; V436-F439 VanDerWaalsContact O-N 3.1Å; V436-L440 HydrophobicContact CG1-CD1 3.71Å; V436-L440 HydrophobicContact CG1-CG 4.3Å; V436-L440 WeakPolarHBondContact O-CG 3.49Å; V436-L440 PolarHBondContact O-N 2.72Å
437	S	76.4	Confident	74.9	Confident	12 Å²	12	51.9 Å²	51.9	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-61.3	-42.4	178.2	-48.3	0	0	0	0	111.7	K266 G434 F439 L440 V441	K266-S437 WeakPolarHBondContact O-CB 3.27Å; K266-S437 PolarHBondContact O-OG 3.08Å; G434-S437 PolarHBondContact O-N 3.44Å; G434-S437 VanDerWaalsContact O-N 3.09Å; S437-F439 VanDerWaalsContact C-N 3.33Å; S437-F439 PolarHBondContact O-N 3.4Å; S437-L440 PolarHBondContact O-N 2.93Å; S437-V441 WeakPolarHBondContact O-CB 3.29Å; S437-V441 WeakPolarHBondContact O-CG2 3.34Å; S437-V441 PolarHBondContact O-N 3.46Å
438	K	80.3	Confident	76	Confident	29 Å²	29	50.4 Å²	50.4	13%	0.126	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-49	171.8	-176.5	163.4	-174.5	176.3	0	110.8	L26 F269 I433 G434 F435 V436 L440 A442	L26-K438 VanDerWaalsContact C-NZ 3.29Å; L26-K438 HydrophobicContact CD2-CD 4.28Å; L26-K438 HydrophobicContact CD2-CG 4.13Å; L26-K438 WeakPolarHBondContact O-CE 3.39Å; L26-K438 PolarHBondContact O-NZ 3.36Å; F269-K438 HydrophobicContact CD2-CB 4.2Å; F269-K438 HydrophobicContact CD2-CG 4.11Å; F269-K438 HydrophobicContact CE2-CB 4.05Å; F269-K438 HydrophobicContact CE2-CD 3.79Å; F269-K438 HydrophobicContact CE2-CG 3.51Å; F269-K438 HydrophobicContact CZ-CD 4.33Å; F269-K438 HydrophobicContact CZ-CG 4.08Å; I433-K438 HydrophobicContact CG2-CB 3.64Å; I433-K438 HydrophobicContact CG2-CG 4.5Å; G434-K438 PolarHBondContact O-N 2.96Å; F435-K438 PolarHBondContact O-N 2.95Å; V436-K438 VanDerWaalsContact C-N 3.34Å; V436-K438 PolarHBondContact O-N 3.03Å; K438-L440 VanDerWaalsContact C-N 3.34Å; K438-L440 PolarHBondContact O-N 3.2Å; K438-A442 HydrophobicContact CG-CB 4.16Å; K438-A442 WeakPolarHBondContact O-CB 3.49Å; K438-A442 PolarHBondContact O-N 3.48Å
439	F	79.8	Confident	77.2	Confident	64 Å²	64	44.9 Å²	44.9	28%	0.281	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-46.4	-176.7	-176.2	-100	0	0	0	111.8	L26 F435 V436 S437 N443 L448	L26-F439 HydrophobicContact CD1-CD2 4.49Å; L26-F439 HydrophobicContact CD2-CB 4.43Å; L26-F439 HydrophobicContact CD2-CD2 4.4Å; F435-F439 WeakPolarHBondContact O-CB 3.07Å; F435-F439 PolarHBondContact O-N 3.14Å; V436-F439 WeakPolarHBondContact O-CB 3.37Å; V436-F439 PolarHBondContact O-N 3.39Å; V436-F439 VanDerWaalsContact O-N 3.1Å; S437-F439 VanDerWaalsContact C-N 3.33Å; S437-F439 PolarHBondContact O-N 3.4Å; F439-N443 WeakPolarHBondContact CA-ND2 3.38Å; F439-N443 WeakPolarHBondContact O-CB 3.3Å; F439-N443 PolarHBondContact O-ND2 2.92Å; F439-N443 VanDerWaalsContact O-ND2 3.07Å; F439-L448 HydrophobicContact CE1-CD2 4.13Å; F439-L448 HydrophobicContact CE2-CD2 4.12Å; F439-L448 HydrophobicContact CZ-CD2 3.43Å; F439-L448 VanDerWaalsContact CZ-CD2 3.43Å
440	L	82.1	Confident	78.6	Confident	15 Å²	15	44.7 Å²	44.7	8%	0.079	26%	0.256	C	S	.	.	H	α-helix	trans	-75.9	-36.9	-175	-65.2	171	0	0	0	114.2	S232 L257 L260 A264 M267 V436 S437 K438 L445	S232-L440 WeakPolarHBondContact CB-O 3.41Å; S232-L440 PolarHBondContact OG-O 2.86Å; L257-L440 HydrophobicContact CD1-CB 4.4Å; L260-L440 HydrophobicContact CB-CD1 4.33Å; L260-L440 HydrophobicContact CD2-CD1 3.82Å; L260-L440 HydrophobicContact CD2-CD2 4.33Å; L260-L440 HydrophobicContact CG-CD1 4.48Å; A264-L440 HydrophobicContact CB-CD1 4.18Å; M267-L440 HydrophobicContact SD-CD1 4.01Å; V436-L440 HydrophobicContact CG1-CD1 3.71Å; V436-L440 HydrophobicContact CG1-CG 4.3Å; V436-L440 WeakPolarHBondContact O-CG 3.49Å; V436-L440 PolarHBondContact O-N 2.72Å; S437-L440 PolarHBondContact O-N 2.93Å; K438-L440 VanDerWaalsContact C-N 3.34Å; K438-L440 PolarHBondContact O-N 3.2Å; L440-L445 WeakPolarHBondContact O-CD1 3.17Å
441	V	82.9	Confident	79.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-96.5	-36.5	-173.6	-177.5	0	0	0	0	111.8	M267 F269 Q271 E277 S437	M267-V441 HydrophobicContact CB-CG2 4.15Å; F269-V441 HydrophobicContact CB-CB 4.02Å; F269-V441 HydrophobicContact CB-CG1 3.85Å; Q271-V441 PolarHBondContact NE2-O 3.06Å; Q271-V441 VanDerWaalsContact NE2-O 3.09Å; E277-V441 HydrophobicContact CB-CG1 3.87Å; E277-V441 VanDerWaalsContact CD-CG1 3.5Å; E277-V441 HydrophobicContact CG-CG1 3.56Å; S437-V441 WeakPolarHBondContact O-CB 3.29Å; S437-V441 WeakPolarHBondContact O-CG2 3.34Å; S437-V441 PolarHBondContact O-N 3.46Å
442	A	80.1	Confident	81.1	Confident	29 Å²	29	43.8 Å²	43.8	24%	0.24	26%	0.258	C	S	.	.	H	α-helix	trans	-81	-33.4	-174.3	0	0	0	0	0	113.8	F269 K438	F269-A442 HydrophobicContact CD1-CB 3.48Å; F269-A442 VanDerWaalsContact CD1-CB 3.48Å; F269-A442 HydrophobicContact CD2-CB 4.28Å; F269-A442 HydrophobicContact CE1-CB 3.16Å; F269-A442 HydrophobicContact CE2-CB 4.05Å; F269-A442 HydrophobicContact CG-CB 4.03Å; F269-A442 HydrophobicContact CZ-CB 3.49Å; F269-A442 VanDerWaalsContact CZ-CB 3.49Å; K438-A442 HydrophobicContact CG-CB 4.16Å; K438-A442 WeakPolarHBondContact O-CB 3.49Å; K438-A442 PolarHBondContact O-N 3.48Å
443	N	78.9	Confident	82.6	Confident	27 Å²	27	39.7 Å²	39.7	14%	0.144	23%	0.231	C	C	.	.	S	Bend	trans	-93.5	137.1	-173.3	-62.1	-81.2	0	0	0	109.9	S232 F439 L445	S232-N443 WeakPolarHBondContact CB-O 3.06Å; F439-N443 WeakPolarHBondContact CA-ND2 3.38Å; F439-N443 WeakPolarHBondContact O-CB 3.3Å; F439-N443 PolarHBondContact O-ND2 2.92Å; F439-N443 VanDerWaalsContact O-ND2 3.07Å; N443-L445 PolarHBondContact O-N 2.75Å
444	S	85.2	Confident	84.2	Confident	45 Å²	45	41 Å²	41	32%	0.315	23%	0.233	S	C	.	.			trans	-66.9	102.5	171.1	-168.7	0	0	0	0	109.8	S446 V447 L448	S444-S446 PolarHBondContact O-N 3.11Å; S444-S446 PolarHBondContact OG-OG 3.38Å; S444-V447 PolarHBondContact O-N 3.3Å; S444-V447 VanDerWaalsContact O-N 3.08Å; S444-L448 PolarHBondContact O-N 2.55Å
445	L	87.1	Confident	85.4	Confident	28 Å²	28	39.9 Å²	39.9	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-57	-30.5	174.5	-85.2	90.4	0	0	0	110.4	F199 S232 L440 N443 V447 L448 I449	F199-L445 HydrophobicContact CE1-CB 4.24Å; F199-L445 HydrophobicContact CZ-CB 4.09Å; S232-L445 PolarHBondContact O-N 3.34Å; L440-L445 WeakPolarHBondContact O-CD1 3.17Å; N443-L445 PolarHBondContact O-N 2.75Å; L445-V447 VanDerWaalsContact C-N 3.35Å; L445-V447 PolarHBondContact O-N 3.38Å; L445-L448 PolarHBondContact O-N 3.43Å; L445-I449 HydrophobicContact CB-CD1 4.44Å; L445-I449 WeakPolarHBondContact O-CB 3.35Å; L445-I449 VanDerWaalsContact O-CG1 3.24Å; L445-I449 WeakPolarHBondContact O-CG1 3.35Å; L445-I449 PolarHBondContact O-N 2.99Å
446	S	85.2	Confident	86.4	Confident	11 Å²	11	35 Å²	35	8%	0.077	20%	0.197	C	C	.	.	H	α-helix	trans	-56.4	-48.6	175.6	75.8	0	0	0	0	112.2	S444 S450	S444-S446 PolarHBondContact O-N 3.11Å; S444-S446 PolarHBondContact OG-OG 3.38Å; S446-S450 WeakPolarHBondContact O-CB 3.4Å; S446-S450 PolarHBondContact O-N 3.47Å; S446-S450 PolarHBondContact O-OG 3.24Å
447	V	87.3	Confident	87.2	Confident	82 Å²	82	33.8 Å²	33.8	50%	0.497	19%	0.186	S	C	.	.	H	α-helix	trans	-70.7	-44.7	-179.6	177.9	0	0	0	0	109.6	S444 L445 S450 A451	S444-V447 PolarHBondContact O-N 3.3Å; S444-V447 VanDerWaalsContact O-N 3.08Å; L445-V447 VanDerWaalsContact C-N 3.35Å; L445-V447 PolarHBondContact O-N 3.38Å; V447-S450 PolarHBondContact O-N 3.37Å; V447-S450 PolarHBondContact O-OG 3.43Å; V447-A451 VanDerWaalsContact O-CB 3.32Å; V447-A451 WeakPolarHBondContact O-CB 3.3Å; V447-A451 PolarHBondContact O-N 2.83Å
448	L	88.7	Confident	88.2	Confident	47 Å²	47	34.9 Å²	34.9	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-59	-51.9	-178.8	-179.8	66.8	0	0	0	112.1	F439 S444 L445 S450 A451 L452	F439-L448 HydrophobicContact CE1-CD2 4.13Å; F439-L448 HydrophobicContact CE2-CD2 4.12Å; F439-L448 HydrophobicContact CZ-CD2 3.43Å; F439-L448 VanDerWaalsContact CZ-CD2 3.43Å; S444-L448 PolarHBondContact O-N 2.55Å; L445-L448 PolarHBondContact O-N 3.43Å; L448-S450 VanDerWaalsContact C-N 3.33Å; L448-S450 PolarHBondContact O-N 3.22Å; L448-A451 PolarHBondContact O-N 3.35Å; L448-L452 HydrophobicContact CD1-CD1 4.28Å; L448-L452 HydrophobicContact CD1-CG 4.33Å; L448-L452 HydrophobicContact CG-CD1 4.07Å; L448-L452 HydrophobicContact CG-CG 4.49Å; L448-L452 WeakPolarHBondContact O-CG 3.34Å; L448-L452 PolarHBondContact O-N 2.76Å
449	I	90.1	Very high	88.8	Confident	22 Å²	22	36.4 Å²	36.4	11%	0.113	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-42.5	-178.1	-63.5	169	0	0	0	110	F199 L445 A451 L452 Y453 L545	F199-I449 HydrophobicContact CE2-CD1 4.37Å; F199-I449 HydrophobicContact CZ-CD1 4Å; L445-I449 HydrophobicContact CB-CD1 4.44Å; L445-I449 WeakPolarHBondContact O-CB 3.35Å; L445-I449 VanDerWaalsContact O-CG1 3.24Å; L445-I449 WeakPolarHBondContact O-CG1 3.35Å; L445-I449 PolarHBondContact O-N 2.99Å; I449-A451 VanDerWaalsContact C-N 3.35Å; I449-A451 PolarHBondContact O-N 3.4Å; I449-L452 PolarHBondContact O-N 2.85Å; I449-Y453 PolarHBondContact O-N 2.89Å; I449-L545 HydrophobicContact CG2-CB 4.24Å
450	S	91.1	Very high	89.4	Confident	24 Å²	24	33.9 Å²	33.9	17%	0.168	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-41	176.1	71.5	0	0	0	0	112.4	S446 V447 L448 Y453 Y454	S446-S450 WeakPolarHBondContact O-CB 3.4Å; S446-S450 PolarHBondContact O-N 3.47Å; S446-S450 PolarHBondContact O-OG 3.24Å; V447-S450 PolarHBondContact O-N 3.37Å; V447-S450 PolarHBondContact O-OG 3.43Å; L448-S450 VanDerWaalsContact C-N 3.33Å; L448-S450 PolarHBondContact O-N 3.22Å; S450-Y453 PolarHBondContact O-N 2.77Å; S450-Y454 WeakPolarHBondContact O-CD2 3.41Å; S450-Y454 PolarHBondContact O-N 2.78Å
451	A	91.3	Very high	90	Very high	34 Å²	34	35.5 Å²	35.5	28%	0.281	20%	0.198	S	C	.	.	H	α-helix	trans	-66.8	-40.4	178.7	0	0	0	0	0	112.3	V447 L448 I449 T455	V447-A451 VanDerWaalsContact O-CB 3.32Å; V447-A451 WeakPolarHBondContact O-CB 3.3Å; V447-A451 PolarHBondContact O-N 2.83Å; L448-A451 PolarHBondContact O-N 3.35Å; I449-A451 VanDerWaalsContact C-N 3.35Å; I449-A451 PolarHBondContact O-N 3.4Å; A451-T455 VanDerWaalsContact O-CB 3.29Å; A451-T455 WeakPolarHBondContact O-CB 3.22Å; A451-T455 PolarHBondContact O-N 2.76Å; A451-T455 PolarHBondContact O-OG1 3.26Å
452	L	92.1	Very high	90.4	Very high	67 Å²	67	36.8 Å²	36.8	35%	0.351	21%	0.206	S	C	.	.	H	α-helix	trans	-62.5	-47.9	175.5	-71.8	173.1	0	0	0	111.1	L448 I449 Y454 T455 L456	L448-L452 HydrophobicContact CD1-CD1 4.28Å; L448-L452 HydrophobicContact CD1-CG 4.33Å; L448-L452 HydrophobicContact CG-CD1 4.07Å; L448-L452 HydrophobicContact CG-CG 4.49Å; L448-L452 WeakPolarHBondContact O-CG 3.34Å; L448-L452 PolarHBondContact O-N 2.76Å; I449-L452 PolarHBondContact O-N 2.85Å; L452-Y454 PolarHBondContact O-N 2.92Å; L452-T455 PolarHBondContact O-N 2.98Å; L452-L456 PolarHBondContact O-N 3.12Å
453	Y	94.5	Very high	90.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.2	-51.9	175.4	168.1	-99	0	0	0	112.5	I449 S450 T455 L456 W457 Q508 I509 S528 Y544 A547 E548 L551	I449-Y453 PolarHBondContact O-N 2.89Å; S450-Y453 PolarHBondContact O-N 2.77Å; Y453-T455 VanDerWaalsContact C-N 3.32Å; Y453-T455 PolarHBondContact O-N 3.05Å; Y453-L456 PolarHBondContact O-N 2.94Å; Y453-W457 PolarHBondContact O-N 3.16Å; Y453-Q508 HydrophobicContact CE2-CG 4.5Å; Y453-Q508 PolarHBondContact OH-O 2.84Å; Y453-I509 HydrophobicContact CE1-CG2 4.34Å; Y453-S528 PolarHBondContact OH-OG 3.21Å; Y453-Y544 AromaticContact CD1-CD1 3.4Å; Y453-Y544 HydrophobicContact CD1-CD1 3.4Å; Y453-Y544 VanDerWaalsContact CD1-CD1 3.4Å; Y453-Y544 AromaticContact CD1-CE1 3.68Å; Y453-Y544 HydrophobicContact CD1-CE1 3.68Å; Y453-Y544 HydrophobicContact CE1-CD1 4.02Å; Y453-Y544 HydrophobicContact CE1-CE1 4.08Å; Y453-Y544 AromaticContact CG-CD1 3.68Å; Y453-Y544 HydrophobicContact CG-CD1 3.68Å; Y453-Y544 HydrophobicContact CG-CE1 4.4Å; Y453-A547 HydrophobicContact CD2-CB 4Å; Y453-A547 HydrophobicContact CE2-CB 3.52Å; Y453-E548 HydrophobicContact CD2-CB 4.19Å; Y453-L551 HydrophobicContact CD2-CD2 4.39Å; Y453-L551 HydrophobicContact CE2-CD2 4.1Å
454	Y	94.9	Very high	91.4	Very high	87 Å²	87	36.8 Å²	36.8	34%	0.341	20%	0.2	S	C	.	.	H	α-helix	trans	-67	-33.7	179.9	-71.3	-59.9	0	0	0	112.3	S450 L452 W457 I458 Y544	S450-Y454 WeakPolarHBondContact O-CD2 3.41Å; S450-Y454 PolarHBondContact O-N 2.78Å; L452-Y454 PolarHBondContact O-N 2.92Å; Y454-W457 PolarHBondContact O-N 2.88Å; Y454-I458 WeakPolarHBondContact O-CB 3.47Å; Y454-I458 WeakPolarHBondContact O-CG1 3.33Å; Y454-I458 PolarHBondContact O-N 2.8Å; Y454-Y544 AromaticContact CE2-CE1 3.77Å; Y454-Y544 HydrophobicContact CE2-CE1 3.77Å; Y454-Y544 AromaticContact CZ-CE1 3.8Å; Y454-Y544 PolarHBondContact OH-OH 3.35Å; Y454-Y544 VanDerWaalsContact OH-OH 3.1Å
455	T	93.9	Very high	91.6	Very high	18 Å²	18	35.5 Å²	35.5	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-44	174.9	-60.7	0	0	0	0	111.1	I19 A451 L452 Y453 I458 T459	I19-T455 HydrophobicContact CD1-CG2 4.48Å; A451-T455 VanDerWaalsContact O-CB 3.29Å; A451-T455 WeakPolarHBondContact O-CB 3.22Å; A451-T455 PolarHBondContact O-N 2.76Å; A451-T455 PolarHBondContact O-OG1 3.26Å; L452-T455 PolarHBondContact O-N 2.98Å; Y453-T455 VanDerWaalsContact C-N 3.32Å; Y453-T455 PolarHBondContact O-N 3.05Å; T455-I458 PolarHBondContact O-N 3.31Å; T455-T459 WeakPolarHBondContact O-CB 3.31Å; T455-T459 PolarHBondContact O-N 3.43Å; T455-T459 PolarHBondContact O-OG1 2.95Å
456	L	94.5	Very high	91.6	Very high	32 Å²	32	35.4 Å²	35.4	17%	0.168	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.1	-179.4	61.7	0	0	0	111.2	L452 Y453 T459 I460 E548 L551 L552	L452-L456 PolarHBondContact O-N 3.12Å; Y453-L456 PolarHBondContact O-N 2.94Å; L456-T459 WeakPolarHBondContact O-CB 3.26Å; L456-T459 PolarHBondContact O-N 2.85Å; L456-I460 HydrophobicContact CD1-CD1 4.03Å; L456-I460 HydrophobicContact CD1-CG1 4.38Å; L456-I460 HydrophobicContact CG-CD1 4.1Å; L456-I460 WeakPolarHBondContact O-CG1 3.49Å; L456-I460 PolarHBondContact O-N 2.9Å; L456-E548 HydrophobicContact CD2-CG 3.83Å; L456-L551 HydrophobicContact CB-CD2 4.35Å; L456-L551 HydrophobicContact CD2-CB 4.1Å; L456-L551 HydrophobicContact CD2-CD2 4.08Å; L456-L551 HydrophobicContact CD2-CG 3.97Å; L456-L551 HydrophobicContact CG-CD2 3.97Å; L456-L551 HydrophobicContact CG-CG 4.07Å; L456-L552 HydrophobicContact CD1-CD1 4.42Å; L456-L552 HydrophobicContact CD2-CB 3.97Å; L456-L552 HydrophobicContact CD2-CD1 4.49Å
457	W	95.6	Very high	91.6	Very high	36 Å²	36	35.3 Å²	35.3	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-49.5	176.5	-173.1	96.8	0	0	0	112.2	Y453 Y454 T459 I460 F461 M505 I509 L551	Y453-W457 PolarHBondContact O-N 3.16Å; Y454-W457 PolarHBondContact O-N 2.88Å; W457-T459 VanDerWaalsContact C-N 3.27Å; W457-T459 PolarHBondContact O-N 3.31Å; W457-I460 PolarHBondContact O-N 2.76Å; W457-F461 HydrophobicContact CE3-CB 4.19Å; W457-F461 HydrophobicContact CH2-CB 4.17Å; W457-F461 HydrophobicContact CH2-CD1 4.37Å; W457-F461 AromaticContact CH2-CD2 3.68Å; W457-F461 HydrophobicContact CH2-CD2 3.68Å; W457-F461 HydrophobicContact CH2-CE2 4.14Å; W457-F461 AromaticContact CH2-CG 3.81Å; W457-F461 HydrophobicContact CH2-CG 3.81Å; W457-F461 AromaticContact CZ2-CD2 3.9Å; W457-F461 HydrophobicContact CZ2-CD2 3.9Å; W457-F461 HydrophobicContact CZ2-CE2 4.46Å; W457-F461 HydrophobicContact CZ2-CG 4.35Å; W457-F461 HydrophobicContact CZ3-CB 3.98Å; W457-F461 HydrophobicContact CZ3-CD1 4.4Å; W457-F461 HydrophobicContact CZ3-CD2 4.33Å; W457-F461 AromaticContact CZ3-CG 3.98Å; W457-F461 HydrophobicContact CZ3-CG 3.98Å; W457-F461 VanDerWaalsContact O-CB 3.27Å; W457-F461 WeakPolarHBondContact O-CB 3.33Å; W457-F461 PolarHBondContact O-N 2.83Å; W457-M505 HydrophobicContact CD2-CE 3.97Å; W457-M505 HydrophobicContact CG-CE 3.81Å; W457-M505 HydrophobicContact CZ2-CB 4.2Å; W457-M505 PolarHBondContact NE1-O 3.34Å; W457-M505 WeakPolarHBondContact O-CE 3.46Å; W457-I509 HydrophobicContact CD2-CG2 4.18Å; W457-I509 HydrophobicContact CG-CG2 4.04Å; W457-I509 HydrophobicContact CH2-CD1 4.3Å; W457-I509 HydrophobicContact CZ2-CD1 3.83Å; W457-I509 HydrophobicContact CZ2-CG1 4.46Å; W457-L551 HydrophobicContact CB-CD2 3.86Å; W457-L551 HydrophobicContact CG-CD2 4.48Å
458	I	95.4	Very high	91.5	Very high	36 Å²	36	35.3 Å²	35.3	19%	0.185	19%	0.187	C	C	.	.	H	α-helix	trans	-60.4	-40.9	177.4	-69.7	166.9	0	0	0	110	I11 L12 Y454 T455 F461 T462	I11-I458 HydrophobicContact CG2-CD1 4.15Å; L12-I458 HydrophobicContact CD1-CG2 4.34Å; L12-I458 HydrophobicContact CG-CG2 4.4Å; Y454-I458 WeakPolarHBondContact O-CB 3.47Å; Y454-I458 WeakPolarHBondContact O-CG1 3.33Å; Y454-I458 PolarHBondContact O-N 2.8Å; T455-I458 PolarHBondContact O-N 3.31Å; I458-F461 PolarHBondContact O-N 3.1Å; I458-T462 HydrophobicContact CG2-CG2 4.14Å; I458-T462 WeakPolarHBondContact O-CB 3.28Å; I458-T462 VanDerWaalsContact O-CG2 3.29Å; I458-T462 WeakPolarHBondContact O-CG2 3.12Å; I458-T462 PolarHBondContact O-N 3.21Å; I458-T462 PolarHBondContact O-OG1 3.36Å
459	T	93.3	Very high	91.2	Very high	60 Å²	60	36.6 Å²	36.6	37%	0.368	19%	0.194	S	C	.	.	H	α-helix	trans	-62.1	-48.8	179.4	-60.3	0	0	0	0	111.3	T455 L456 W457 T462 F463	T455-T459 WeakPolarHBondContact O-CB 3.31Å; T455-T459 PolarHBondContact O-N 3.43Å; T455-T459 PolarHBondContact O-OG1 2.95Å; L456-T459 WeakPolarHBondContact O-CB 3.26Å; L456-T459 PolarHBondContact O-N 2.85Å; W457-T459 VanDerWaalsContact C-N 3.27Å; W457-T459 PolarHBondContact O-N 3.31Å; T459-T462 PolarHBondContact O-OG1 2.87Å; T459-T462 VanDerWaalsContact O-OG1 3.07Å; T459-F463 VanDerWaalsContact O-CB 3.25Å; T459-F463 WeakPolarHBondContact O-CB 3.33Å; T459-F463 PolarHBondContact O-N 3.34Å
460	I	93.6	Very high	90.7	Very high	11 Å²	11	37.3 Å²	37.3	6%	0.056	20%	0.198	C	C	.	.	H	α-helix	trans	-66.9	-42.1	178.6	-65.9	168.5	0	0	0	110.8	L456 W457 F463 V464 M505 L551 L558	L456-I460 HydrophobicContact CD1-CD1 4.03Å; L456-I460 HydrophobicContact CD1-CG1 4.38Å; L456-I460 HydrophobicContact CG-CD1 4.1Å; L456-I460 WeakPolarHBondContact O-CG1 3.49Å; L456-I460 PolarHBondContact O-N 2.9Å; W457-I460 PolarHBondContact O-N 2.76Å; I460-F463 WeakPolarHBondContact O-CB 3.25Å; I460-F463 PolarHBondContact O-N 2.52Å; I460-V464 WeakPolarHBondContact O-CG2 3.29Å; I460-V464 PolarHBondContact O-N 2.69Å; I460-V464 VanDerWaalsContact O-N 3.1Å; I460-M505 HydrophobicContact CB-CE 3.79Å; I460-M505 HydrophobicContact CB-SD 4.37Å; I460-M505 HydrophobicContact CG2-CE 3.75Å; I460-M505 HydrophobicContact CG2-SD 3.71Å; I460-L551 HydrophobicContact CD1-CD1 3.63Å; I460-L551 HydrophobicContact CD1-CD2 4.47Å; I460-L551 HydrophobicContact CD1-CG 3.67Å; I460-L551 WeakPolarHBondContact CD1-O 3.43Å; I460-L558 HydrophobicContact CG2-CD2 4.06Å
461	F	94.1	Very high	89.7	Confident	50 Å²	50	45.2 Å²	45.2	22%	0.219	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-47.6	-179.8	-173.7	-92.4	0	0	0	111.3	W457 I458 V464 V465 L502 M505	W457-F461 HydrophobicContact CE3-CB 4.19Å; W457-F461 HydrophobicContact CH2-CB 4.17Å; W457-F461 HydrophobicContact CH2-CD1 4.37Å; W457-F461 AromaticContact CH2-CD2 3.68Å; W457-F461 HydrophobicContact CH2-CD2 3.68Å; W457-F461 HydrophobicContact CH2-CE2 4.14Å; W457-F461 AromaticContact CH2-CG 3.81Å; W457-F461 HydrophobicContact CH2-CG 3.81Å; W457-F461 AromaticContact CZ2-CD2 3.9Å; W457-F461 HydrophobicContact CZ2-CD2 3.9Å; W457-F461 HydrophobicContact CZ2-CE2 4.46Å; W457-F461 HydrophobicContact CZ2-CG 4.35Å; W457-F461 HydrophobicContact CZ3-CB 3.98Å; W457-F461 HydrophobicContact CZ3-CD1 4.4Å; W457-F461 HydrophobicContact CZ3-CD2 4.33Å; W457-F461 AromaticContact CZ3-CG 3.98Å; W457-F461 HydrophobicContact CZ3-CG 3.98Å; W457-F461 VanDerWaalsContact O-CB 3.27Å; W457-F461 WeakPolarHBondContact O-CB 3.33Å; W457-F461 PolarHBondContact O-N 2.83Å; I458-F461 PolarHBondContact O-N 3.1Å; F461-V464 PolarHBondContact O-N 3Å; F461-V465 HydrophobicContact CD1-CG2 4.31Å; F461-V465 HydrophobicContact CE1-CB 4.49Å; F461-V465 HydrophobicContact CE1-CG2 3.99Å; F461-V465 HydrophobicContact CE2-CG2 4.32Å; F461-V465 HydrophobicContact CZ-CG2 4Å; F461-V465 WeakPolarHBondContact O-CB 3.13Å; F461-V465 WeakPolarHBondContact O-CG2 3.04Å; F461-V465 PolarHBondContact O-N 3.28Å; F461-L502 HydrophobicContact CD2-CD2 4.46Å; F461-L502 HydrophobicContact CE2-CD2 4Å; F461-M505 HydrophobicContact CB-CE 3.87Å; F461-M505 HydrophobicContact CD2-CB 4.13Å; F461-M505 HydrophobicContact CD2-CG 4.49Å
462	T	90.9	Very high	88.8	Confident	26 Å²	26	50.2 Å²	50.2	16%	0.16	24%	0.235	C	C	.	.	H	α-helix	trans	-66.5	-37	177.2	55.4	0	0	0	0	112	F8 L12 I458 T459 V464 V465 S466	F8-T462 HydrophobicContact CD1-CG2 4.16Å; L12-T462 HydrophobicContact CD1-CG2 4.28Å; I458-T462 HydrophobicContact CG2-CG2 4.14Å; I458-T462 WeakPolarHBondContact O-CB 3.28Å; I458-T462 VanDerWaalsContact O-CG2 3.29Å; I458-T462 WeakPolarHBondContact O-CG2 3.12Å; I458-T462 PolarHBondContact O-N 3.21Å; I458-T462 PolarHBondContact O-OG1 3.36Å; T459-T462 PolarHBondContact O-OG1 2.87Å; T459-T462 VanDerWaalsContact O-OG1 3.07Å; T462-V464 PolarHBondContact O-N 3.44Å; T462-V465 PolarHBondContact O-N 3.46Å; T462-S466 WeakPolarHBondContact O-CA 3.33Å; T462-S466 WeakPolarHBondContact O-CB 3.39Å; T462-S466 PolarHBondContact O-N 2.7Å; T462-S466 PolarHBondContact O-OG 2.94Å
463	F	90.6	Very high	87.8	Confident	51 Å²	51	51.2 Å²	51.2	22%	0.224	25%	0.246	C	C	.	.	H	α-helix	trans	-53.9	-51.5	172.9	179.1	-95.7	0	0	0	111.2	T459 I460 S466 I484 M488 L558 L559 T562	T459-F463 VanDerWaalsContact O-CB 3.25Å; T459-F463 WeakPolarHBondContact O-CB 3.33Å; T459-F463 PolarHBondContact O-N 3.34Å; I460-F463 WeakPolarHBondContact O-CB 3.25Å; I460-F463 PolarHBondContact O-N 2.52Å; F463-S466 PolarHBondContact O-OG 3.41Å; F463-S466 VanDerWaalsContact O-OG 3.04Å; F463-I484 HydrophobicContact CE2-CG2 3.82Å; F463-I484 HydrophobicContact CZ-CG2 3.94Å; F463-M488 HydrophobicContact CD2-CE 3.67Å; F463-M488 HydrophobicContact CD2-CG 4.43Å; F463-M488 HydrophobicContact CD2-SD 3.97Å; F463-M488 HydrophobicContact CE1-CG 3.92Å; F463-M488 HydrophobicContact CE2-CE 3.9Å; F463-M488 HydrophobicContact CE2-CG 3.83Å; F463-M488 HydrophobicContact CE2-SD 3.55Å; F463-M488 VanDerWaalsContact CE2-SD 3.55Å; F463-M488 HydrophobicContact CG-CE 4.06Å; F463-M488 HydrophobicContact CZ-CE 4.48Å; F463-M488 HydrophobicContact CZ-CG 3.57Å; F463-M488 HydrophobicContact CZ-SD 3.95Å; F463-M488 WeakPolarHBondContact O-CE 3.11Å; F463-L558 HydrophobicContact CD1-CD2 4.38Å; F463-L558 HydrophobicContact CE1-CG 4.47Å; F463-L559 HydrophobicContact CE2-CD1 4.39Å; F463-L559 HydrophobicContact CZ-CD1 4.13Å; F463-T562 HydrophobicContact CE1-CG2 4.16Å; F463-T562 HydrophobicContact CZ-CG2 3.82Å
464	V	90.5	Very high	86.7	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.03	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-40.1	-177.7	176.1	0	0	0	0	112.5	I460 F461 T462 P467 L498 I501 L502 L558	I460-V464 WeakPolarHBondContact O-CG2 3.29Å; I460-V464 PolarHBondContact O-N 2.69Å; I460-V464 VanDerWaalsContact O-N 3.1Å; F461-V464 PolarHBondContact O-N 3Å; T462-V464 PolarHBondContact O-N 3.44Å; V464-P467 WeakPolarHBondContact O-CD 3.24Å; V464-L498 HydrophobicContact CG1-CD1 3.43Å; V464-L498 VanDerWaalsContact CG1-CD1 3.43Å; V464-I501 HydrophobicContact CG1-CG2 4.15Å; V464-I501 HydrophobicContact CG2-CG2 3.83Å; V464-L502 HydrophobicContact CG1-CD2 4.24Å; V464-L558 HydrophobicContact CG2-CD2 3.58Å
465	V	89.5	Confident	85.5	Confident	18 Å²	18	57.7 Å²	57.7	11%	0.109	29%	0.286	C	S	.	.	H	α-helix	trans	-88.6	-17.8	-171.4	177.9	0	0	0	0	112.4	F461 T462 P467 I468 L469 L502	F461-V465 HydrophobicContact CD1-CG2 4.31Å; F461-V465 HydrophobicContact CE1-CB 4.49Å; F461-V465 HydrophobicContact CE1-CG2 3.99Å; F461-V465 HydrophobicContact CE2-CG2 4.32Å; F461-V465 HydrophobicContact CZ-CG2 4Å; F461-V465 WeakPolarHBondContact O-CB 3.13Å; F461-V465 WeakPolarHBondContact O-CG2 3.04Å; F461-V465 PolarHBondContact O-N 3.28Å; T462-V465 PolarHBondContact O-N 3.46Å; V465-P467 VanDerWaalsContact C-CD 3.44Å; V465-I468 WeakPolarHBondContact O-CB 3.46Å; V465-I468 PolarHBondContact O-N 2.75Å; V465-L469 HydrophobicContact CG1-CD1 3.76Å; V465-L469 HydrophobicContact CG1-CD2 4.25Å; V465-L469 HydrophobicContact CG1-CG 3.73Å; V465-L469 PolarHBondContact O-N 3.03Å; V465-L469 VanDerWaalsContact O-N 3.15Å; V465-L502 HydrophobicContact CG2-CD2 3.65Å
466	S	87.2	Confident	84.4	Confident	26 Å²	26	58.7 Å²	58.7	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-53.6	-42.1	-176.3	61.6	0	0	0	0	115	T462 F463 I468 L469 I470 M488	T462-S466 WeakPolarHBondContact O-CA 3.33Å; T462-S466 WeakPolarHBondContact O-CB 3.39Å; T462-S466 PolarHBondContact O-N 2.7Å; T462-S466 PolarHBondContact O-OG 2.94Å; F463-S466 PolarHBondContact O-OG 3.41Å; F463-S466 VanDerWaalsContact O-OG 3.04Å; S466-I468 PolarHBondContact O-N 2.86Å; S466-L469 PolarHBondContact O-N 3.18Å; S466-I470 WeakPolarHBondContact O-CD1 3.02Å; S466-I470 WeakPolarHBondContact O-CG1 3.19Å; S466-I470 PolarHBondContact O-N 3.11Å; S466-M488 WeakPolarHBondContact OG-CE 3.34Å
467	P	84.5	Confident	83.3	Confident	10 Å²	10	61.2 Å²	61.2	7%	0.065	31%	0.307	C	S	.	.	H	α-helix	trans	-67.7	-24.8	-179.7	-15.1	31.1	0	0	0	112.7	V464 V465 M488 Y489 S492	V464-P467 WeakPolarHBondContact O-CD 3.24Å; V465-P467 VanDerWaalsContact C-CD 3.44Å; P467-M488 HydrophobicContact CG-CB 3.83Å; P467-Y489 HydrophobicContact CB-CD2 4.15Å; P467-S492 WeakPolarHBondContact CB-OG 3.46Å
468	I	84.7	Confident	82.3	Confident	81 Å²	81	65.3 Å²	65.3	42%	0.415	33%	0.327	S	S	.	.	H	α-helix	trans	-77	-37	176.9	-52.5	171.9	0	0	0	110.5	V465 S466 L498	V465-I468 WeakPolarHBondContact O-CB 3.46Å; V465-I468 PolarHBondContact O-N 2.75Å; S466-I468 PolarHBondContact O-N 2.86Å; I468-L498 HydrophobicContact CD1-CD1 4.15Å; I468-L498 HydrophobicContact CD1-CD2 3.47Å; I468-L498 VanDerWaalsContact CD1-CD2 3.47Å; I468-L498 HydrophobicContact CD1-CG 4.46Å
469	L	83	Confident	81.1	Confident	75 Å²	75	65.9 Å²	65.9	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-76.8	-30.6	-179.6	-64.5	175.5	0	0	0	112.5	F8 V465 S466 R471	F8-L469 HydrophobicContact CD2-CD1 4.29Å; F8-L469 HydrophobicContact CE2-CD1 4.21Å; V465-L469 HydrophobicContact CG1-CD1 3.76Å; V465-L469 HydrophobicContact CG1-CD2 4.25Å; V465-L469 HydrophobicContact CG1-CG 3.73Å; V465-L469 PolarHBondContact O-N 3.03Å; V465-L469 VanDerWaalsContact O-N 3.15Å; S466-L469 PolarHBondContact O-N 3.18Å; L469-R471 PolarHBondContact O-N 3.09Å
470	I	79.9	Confident	80.3	Confident	37 Å²	37	66.3 Å²	66.3	19%	0.19	33%	0.327	C	S	.	.			trans	-78.2	93.2	-178.6	-63.6	164.6	0	0	0	109.1	S466 R472 L475 L476 L479	S466-I470 WeakPolarHBondContact O-CD1 3.02Å; S466-I470 WeakPolarHBondContact O-CG1 3.19Å; S466-I470 PolarHBondContact O-N 3.11Å; I470-R472 VanDerWaalsContact C-N 3.32Å; I470-L475 HydrophobicContact CG2-CB 3.49Å; I470-L475 VanDerWaalsContact CG2-CB 3.49Å; I470-L476 HydrophobicContact CB-CD2 4.12Å; I470-L476 HydrophobicContact CB-CG 4.44Å; I470-L476 HydrophobicContact CG2-CD2 4.06Å; I470-L476 HydrophobicContact CG2-CG 3.9Å; I470-L476 WeakPolarHBondContact O-CD1 3.33Å; I470-L476 WeakPolarHBondContact O-CG 3.34Å; I470-L479 HydrophobicContact CD1-CD1 3.29Å
471	R	70	Confident	79.6	Confident	190 Å²	190	74 Å²	74	72%	0.717	36%	0.356	S	S	*	.			trans	-83.5	-4.2	175.8	-66.2	-173.1	177.4	155	-1.1	114.5	L469	L469-R471 PolarHBondContact O-N 3.09Å
472	R	72.6	Confident	79.2	Confident	139 Å²	139	75.2 Å²	75.2	53%	0.525	37%	0.367	S	S	.	.			trans	-91	117.4	-178.2	-74.9	-168.1	178.5	175	3.4	109.9	I470 N474 L475 L476	I470-R472 VanDerWaalsContact C-N 3.32Å; R472-N474 VanDerWaalsContact C-N 3.27Å; R472-N474 PolarHBondContact O-N 3.5Å; R472-L475 HydrophobicContact CB-CB 4.37Å; R472-L475 HydrophobicContact CB-CD1 3.83Å; R472-L475 HydrophobicContact CG-CD1 4.4Å; R472-L475 PolarHBondContact O-N 3Å; R472-L475 VanDerWaalsContact O-N 3.1Å; R472-L476 PolarHBondContact O-N 3.28Å
473	P	71.2	Confident	78.9	Confident	87 Å²	87	78.6 Å²	78.6	57%	0.565	38%	0.377	S	S	*	.	H	α-helix	trans	-58.2	-37.9	-176.2	19.7	-30.2	0	0	0	112.4	L475 L476 V477	P473-L475 VanDerWaalsContact C-N 3.3Å; P473-L475 PolarHBondContact O-N 3.46Å; P473-L476 WeakPolarHBondContact O-CB 3.18Å; P473-L476 PolarHBondContact O-N 2.96Å; P473-V477 VanDerWaalsContact O-CG2 3.31Å; P473-V477 WeakPolarHBondContact O-CG2 3.22Å; P473-V477 PolarHBondContact O-N 3.37Å
474	N	71	Confident	78.8	Confident	131 Å²	131	79.2 Å²	79.2	70%	0.701	38%	0.382	S	S	*	.	H	α-helix	trans	-61.2	-35.5	179.6	-60.7	-4	0	0	0	113.5	R472 H478	R472-N474 VanDerWaalsContact C-N 3.27Å; R472-N474 PolarHBondContact O-N 3.5Å; N474-H478 PolarHBondContact O-N 3.2Å
475	L	70.5	Confident	78.6	Confident	93 Å²	93	79.1 Å²	79.1	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-77.7	-36.8	177.9	-82.8	147	0	0	0	111.3	I470 R472 P473 H478 L479	I470-L475 HydrophobicContact CG2-CB 3.49Å; I470-L475 VanDerWaalsContact CG2-CB 3.49Å; R472-L475 HydrophobicContact CB-CB 4.37Å; R472-L475 HydrophobicContact CB-CD1 3.83Å; R472-L475 HydrophobicContact CG-CD1 4.4Å; R472-L475 PolarHBondContact O-N 3Å; R472-L475 VanDerWaalsContact O-N 3.1Å; P473-L475 VanDerWaalsContact C-N 3.3Å; P473-L475 PolarHBondContact O-N 3.46Å; L475-H478 PolarHBondContact O-N 3.11Å; L475-L479 PolarHBondContact O-N 3.4Å; L475-L479 VanDerWaalsContact O-N 3.08Å
476	L	70.2	Confident	78.4	Confident	38 Å²	38	80 Å²	80	20%	0.199	38%	0.383	C	S	.	.	H	α-helix	trans	-60.8	-45.5	171.3	-72.9	171.5	0	0	0	111	I470 R472 P473 H478 L479 F480 Y489	I470-L476 HydrophobicContact CB-CD2 4.12Å; I470-L476 HydrophobicContact CB-CG 4.44Å; I470-L476 HydrophobicContact CG2-CD2 4.06Å; I470-L476 HydrophobicContact CG2-CG 3.9Å; I470-L476 WeakPolarHBondContact O-CD1 3.33Å; I470-L476 WeakPolarHBondContact O-CG 3.34Å; R472-L476 PolarHBondContact O-N 3.28Å; P473-L476 WeakPolarHBondContact O-CB 3.18Å; P473-L476 PolarHBondContact O-N 2.96Å; L476-H478 VanDerWaalsContact C-N 3.26Å; L476-H478 PolarHBondContact O-N 3.32Å; L476-L479 WeakPolarHBondContact O-CB 3.21Å; L476-L479 PolarHBondContact O-N 3.47Å; L476-L479 VanDerWaalsContact O-N 3.13Å; L476-F480 WeakPolarHBondContact O-CB 3.42Å; L476-F480 WeakPolarHBondContact O-CD2 3.34Å; L476-F480 PolarHBondContact O-N 3.43Å; L476-Y489 HydrophobicContact CD2-CD2 4.39Å
477	V	72.1	Confident	78.5	Confident	85 Å²	85	78.7 Å²	78.7	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-57	-40.7	176.5	171	0	0	0	0	111.3	P473 F480 R481	P473-V477 VanDerWaalsContact O-CG2 3.31Å; P473-V477 WeakPolarHBondContact O-CG2 3.22Å; P473-V477 PolarHBondContact O-N 3.37Å; V477-F480 PolarHBondContact O-N 3.2Å; V477-R481 PolarHBondContact O-N 2.74Å
478	H	73	Confident	78.7	Confident	122 Å²	122	79 Å²	79	57%	0.565	38%	0.375	S	S	*	.	H	α-helix	trans	-63.4	-45.7	175.6	-107.3	73.5	0	0	0	112.9	N474 L475 L476 F480 R481	N474-H478 PolarHBondContact O-N 3.2Å; L475-H478 PolarHBondContact O-N 3.11Å; L476-H478 VanDerWaalsContact C-N 3.26Å; L476-H478 PolarHBondContact O-N 3.32Å; H478-F480 VanDerWaalsContact C-N 3.31Å; H478-F480 PolarHBondContact O-N 2.87Å; H478-R481 WeakPolarHBondContact O-CB 3.29Å; H478-R481 PolarHBondContact O-N 3.44Å
479	L	71.9	Confident	78.8	Confident	49 Å²	49	79.5 Å²	79.5	26%	0.257	37%	0.372	S	S	.	.	H	α-helix	trans	-59	-45.5	174.7	-77.4	168.8	0	0	0	111.1	I470 L475 L476 R481 T482 G485	I470-L479 HydrophobicContact CD1-CD1 3.29Å; L475-L479 PolarHBondContact O-N 3.4Å; L475-L479 VanDerWaalsContact O-N 3.08Å; L476-L479 WeakPolarHBondContact O-CB 3.21Å; L476-L479 PolarHBondContact O-N 3.47Å; L476-L479 VanDerWaalsContact O-N 3.13Å; L479-R481 PolarHBondContact O-N 3.36Å; L479-R481 VanDerWaalsContact O-N 3.14Å; L479-T482 PolarHBondContact O-N 2.94Å; L479-T482 PolarHBondContact O-OG1 2.9Å; L479-T482 VanDerWaalsContact O-OG1 3.07Å; L479-G485 VanDerWaalsContact O-CA 3.23Å; L479-G485 WeakPolarHBondContact O-CA 3.41Å
480	F	75.8	Confident	79.1	Confident	69 Å²	69	76.9 Å²	76.9	30%	0.303	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-19.9	179.2	-98.4	-86.8	0	0	0	114.6	L476 V477 H478 T482 R486 Y489	L476-F480 WeakPolarHBondContact O-CB 3.42Å; L476-F480 WeakPolarHBondContact O-CD2 3.34Å; L476-F480 PolarHBondContact O-N 3.43Å; V477-F480 PolarHBondContact O-N 3.2Å; H478-F480 VanDerWaalsContact C-N 3.31Å; H478-F480 PolarHBondContact O-N 2.87Å; F480-T482 PolarHBondContact O-N 3.3Å; F480-R486 HydrophobicContact CD1-CG 3.55Å; F480-R486 HydrophobicContact CE1-CG 4.17Å; F480-R486 HydrophobicContact CG-CG 4.38Å; F480-R486 WeakPolarHBondContact O-CD 3.26Å; F480-R486 VanDerWaalsContact O-CG 3.29Å; F480-R486 WeakPolarHBondContact O-CG 3.25Å; F480-R486 PolarHBondContact O-NE 3.45Å; F480-Y489 HydrophobicContact CD2-CD2 4.47Å; F480-Y489 HydrophobicContact CD2-CG 4.37Å; F480-Y489 HydrophobicContact CE1-CD1 4.1Å; F480-Y489 HydrophobicContact CE1-CG 4.33Å; F480-Y489 AromaticContact CE2-CD1 3.65Å; F480-Y489 HydrophobicContact CE2-CD1 3.65Å; F480-Y489 AromaticContact CE2-CD2 3.4Å; F480-Y489 HydrophobicContact CE2-CD2 3.4Å; F480-Y489 VanDerWaalsContact CE2-CD2 3.4Å; F480-Y489 HydrophobicContact CE2-CE1 4.04Å; F480-Y489 AromaticContact CE2-CE2 3.83Å; F480-Y489 HydrophobicContact CE2-CE2 3.83Å; F480-Y489 AromaticContact CE2-CG 3.27Å; F480-Y489 HydrophobicContact CE2-CG 3.27Å; F480-Y489 AromaticContact CZ-CD1 3.12Å; F480-Y489 HydrophobicContact CZ-CD1 3.12Å; F480-Y489 AromaticContact CZ-CD2 3.85Å; F480-Y489 HydrophobicContact CZ-CD2 3.85Å; F480-Y489 AromaticContact CZ-CE1 3.53Å; F480-Y489 HydrophobicContact CZ-CE1 3.53Å; F480-Y489 HydrophobicContact CZ-CE2 4.2Å; F480-Y489 AromaticContact CZ-CG 3.27Å; F480-Y489 HydrophobicContact CZ-CG 3.27Å
481	R	79	Confident	79.6	Confident	173 Å²	173	75.3 Å²	75.3	65%	0.653	35%	0.35	S	S	*	.	H	α-helix	trans	-63	-33.6	176	-77.1	179.8	162.6	179.6	-7	112.2	V477 H478 L479 R486	V477-R481 PolarHBondContact O-N 2.74Å; H478-R481 WeakPolarHBondContact O-CB 3.29Å; H478-R481 PolarHBondContact O-N 3.44Å; L479-R481 PolarHBondContact O-N 3.36Å; L479-R481 VanDerWaalsContact O-N 3.14Å; R481-R486 PolarHBondContact O-NH2 2.88Å
482	T	84.6	Confident	80.5	Confident	75 Å²	75	66.9 Å²	66.9	46%	0.46	32%	0.321	S	S	.	.	S	Bend	trans	-89.6	154.4	-177.8	69.5	0	0	0	0	112	L479 F480 I484 G485 R486	L479-T482 PolarHBondContact O-N 2.94Å; L479-T482 PolarHBondContact O-OG1 2.9Å; L479-T482 VanDerWaalsContact O-OG1 3.07Å; F480-T482 PolarHBondContact O-N 3.3Å; T482-I484 VanDerWaalsContact C-N 3.26Å; T482-I484 PolarHBondContact O-N 2.85Å; T482-G485 PolarHBondContact OG1-N 2.73Å; T482-R486 WeakPolarHBondContact O-CB 3.5Å; T482-R486 PolarHBondContact O-N 2.91Å; T482-R486 VanDerWaalsContact O-N 3.12Å; T482-R486 PolarHBondContact O-NE 2.9Å
483	R	85.5	Confident	81.1	Confident	96 Å²	96	63.2 Å²	63.2	36%	0.362	32%	0.317	S	S	.	.	H	α-helix	trans	-59.6	-41.6	171.5	-65.7	-177.1	-171.9	-167.5	-1.6	110.6	G487 Y563 G566	R483-G487 PolarHBondContact O-N 2.95Å; R483-Y563 HydrophobicContact CB-CD2 4.13Å; R483-Y563 HydrophobicContact CB-CE2 4.16Å; R483-Y563 PolarHBondContact NH1-OH 3.33Å; R483-G566 VanDerWaalsContact O-CA 3.31Å; R483-G566 WeakPolarHBondContact O-CA 3.37Å
484	I	87.8	Confident	82	Confident	65 Å²	65	61.5 Å²	61.5	33%	0.333	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-50.2	-179.4	-65.4	170.8	0	0	0	110.6	F463 T482 R486 G487 M488 L559 T562 Y563	F463-I484 HydrophobicContact CE2-CG2 3.82Å; F463-I484 HydrophobicContact CZ-CG2 3.94Å; T482-I484 VanDerWaalsContact C-N 3.26Å; T482-I484 PolarHBondContact O-N 2.85Å; I484-R486 PolarHBondContact O-N 3.42Å; I484-G487 CarbonylContact O-C 3.58Å; I484-G487 WeakPolarHBondContact O-CA 3.34Å; I484-G487 PolarHBondContact O-N 2.77Å; I484-G487 VanDerWaalsContact O-N 3.08Å; I484-M488 HydrophobicContact CG2-CG 4.19Å; I484-M488 HydrophobicContact CG2-SD 3.82Å; I484-M488 VanDerWaalsContact O-CG 3.29Å; I484-M488 WeakPolarHBondContact O-CG 3.45Å; I484-M488 PolarHBondContact O-N 3.06Å; I484-L559 HydrophobicContact CD1-CD1 4.26Å; I484-L559 HydrophobicContact CG2-CD1 4.49Å; I484-T562 HydrophobicContact CG2-CG2 4.21Å; I484-T562 VanDerWaalsContact O-CG2 3.25Å; I484-T562 WeakPolarHBondContact O-CG2 3.49Å; I484-Y563 HydrophobicContact CG1-CD2 4.37Å
485	G	86.6	Confident	82.9	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-66.8	-33.8	-178	0	0	0	0	0	113.9	L479 T482 M488 Y489	L479-G485 VanDerWaalsContact O-CA 3.23Å; L479-G485 WeakPolarHBondContact O-CA 3.41Å; T482-G485 PolarHBondContact OG1-N 2.73Å; G485-M488 PolarHBondContact O-N 2.83Å; G485-Y489 PolarHBondContact O-N 3.01Å
486	R	85.7	Confident	83.9	Confident	36 Å²	36	65.4 Å²	65.4	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-56.7	-49.2	167	-94.5	174.3	-86.7	168.3	-10.1	112.1	F480 R481 T482 I484 M488 Y489 L490 Q569 Y570	F480-R486 HydrophobicContact CD1-CG 3.55Å; F480-R486 HydrophobicContact CE1-CG 4.17Å; F480-R486 HydrophobicContact CG-CG 4.38Å; F480-R486 WeakPolarHBondContact O-CD 3.26Å; F480-R486 VanDerWaalsContact O-CG 3.29Å; F480-R486 WeakPolarHBondContact O-CG 3.25Å; F480-R486 PolarHBondContact O-NE 3.45Å; R481-R486 PolarHBondContact O-NH2 2.88Å; T482-R486 WeakPolarHBondContact O-CB 3.5Å; T482-R486 PolarHBondContact O-N 2.91Å; T482-R486 VanDerWaalsContact O-N 3.12Å; T482-R486 PolarHBondContact O-NE 2.9Å; I484-R486 PolarHBondContact O-N 3.42Å; R486-M488 PolarHBondContact O-N 3Å; R486-Y489 PolarHBondContact O-N 3.39Å; R486-L490 PolarHBondContact O-N 3.32Å; R486-Q569 PolarHBondContact O-OE1 3.23Å; R486-Y570 VanDerWaalsContact NH1-CB 3.27Å
487	G	89.1	Confident	85	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-45.2	175.6	0	0	0	0	0	113.3	R483 I484 Y489 L490 I491 T562	R483-G487 PolarHBondContact O-N 2.95Å; I484-G487 CarbonylContact O-C 3.58Å; I484-G487 WeakPolarHBondContact O-CA 3.34Å; I484-G487 PolarHBondContact O-N 2.77Å; I484-G487 VanDerWaalsContact O-N 3.08Å; G487-Y489 VanDerWaalsContact C-N 3.33Å; G487-Y489 PolarHBondContact O-N 3.02Å; G487-L490 PolarHBondContact O-N 3.34Å; G487-I491 WeakPolarHBondContact O-CG1 3.27Å; G487-I491 PolarHBondContact O-N 2.96Å; G487-T562 VanDerWaalsContact CA-O 3.24Å; G487-T562 WeakPolarHBondContact CA-O 3.46Å
488	M	89.7	Confident	86.1	Confident	17 Å²	17	60.6 Å²	60.6	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-60.1	-47.6	-179.9	-68.2	165	73.7	0	0	110	F463 S466 P467 I484 G485 R486 L490 I491 S492 T562	F463-M488 HydrophobicContact CD2-CE 3.67Å; F463-M488 HydrophobicContact CD2-CG 4.43Å; F463-M488 HydrophobicContact CD2-SD 3.97Å; F463-M488 HydrophobicContact CE1-CG 3.92Å; F463-M488 HydrophobicContact CE2-CE 3.9Å; F463-M488 HydrophobicContact CE2-CG 3.83Å; F463-M488 HydrophobicContact CE2-SD 3.55Å; F463-M488 VanDerWaalsContact CE2-SD 3.55Å; F463-M488 HydrophobicContact CG-CE 4.06Å; F463-M488 HydrophobicContact CZ-CE 4.48Å; F463-M488 HydrophobicContact CZ-CG 3.57Å; F463-M488 HydrophobicContact CZ-SD 3.95Å; F463-M488 WeakPolarHBondContact O-CE 3.11Å; S466-M488 WeakPolarHBondContact OG-CE 3.34Å; P467-M488 HydrophobicContact CG-CB 3.83Å; I484-M488 HydrophobicContact CG2-CG 4.19Å; I484-M488 HydrophobicContact CG2-SD 3.82Å; I484-M488 VanDerWaalsContact O-CG 3.29Å; I484-M488 WeakPolarHBondContact O-CG 3.45Å; I484-M488 PolarHBondContact O-N 3.06Å; G485-M488 PolarHBondContact O-N 2.83Å; R486-M488 PolarHBondContact O-N 3Å; M488-L490 PolarHBondContact O-N 3.43Å; M488-I491 PolarHBondContact O-N 2.88Å; M488-S492 WeakPolarHBondContact O-CB 3.39Å; M488-S492 PolarHBondContact O-N 3.2Å; M488-S492 PolarHBondContact O-OG 2.96Å; M488-T562 HydrophobicContact CB-CG2 4.36Å; M488-T562 HydrophobicContact CG-CG2 3.64Å; M488-T562 VanDerWaalsContact N-CG2 3.32Å
489	Y	86.7	Confident	87.1	Confident	90 Å²	90	60 Å²	60	35%	0.353	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-46.1	177.5	-176.8	-89.9	0	0	0	111.6	P467 L476 F480 G485 R486 G487 I491 S492 S493	P467-Y489 HydrophobicContact CB-CD2 4.15Å; L476-Y489 HydrophobicContact CD2-CD2 4.39Å; F480-Y489 HydrophobicContact CD2-CD2 4.47Å; F480-Y489 HydrophobicContact CD2-CG 4.37Å; F480-Y489 HydrophobicContact CE1-CD1 4.1Å; F480-Y489 HydrophobicContact CE1-CG 4.33Å; F480-Y489 AromaticContact CE2-CD1 3.65Å; F480-Y489 HydrophobicContact CE2-CD1 3.65Å; F480-Y489 AromaticContact CE2-CD2 3.4Å; F480-Y489 HydrophobicContact CE2-CD2 3.4Å; F480-Y489 VanDerWaalsContact CE2-CD2 3.4Å; F480-Y489 HydrophobicContact CE2-CE1 4.04Å; F480-Y489 AromaticContact CE2-CE2 3.83Å; F480-Y489 HydrophobicContact CE2-CE2 3.83Å; F480-Y489 AromaticContact CE2-CG 3.27Å; F480-Y489 HydrophobicContact CE2-CG 3.27Å; F480-Y489 AromaticContact CZ-CD1 3.12Å; F480-Y489 HydrophobicContact CZ-CD1 3.12Å; F480-Y489 AromaticContact CZ-CD2 3.85Å; F480-Y489 HydrophobicContact CZ-CD2 3.85Å; F480-Y489 AromaticContact CZ-CE1 3.53Å; F480-Y489 HydrophobicContact CZ-CE1 3.53Å; F480-Y489 HydrophobicContact CZ-CE2 4.2Å; F480-Y489 AromaticContact CZ-CG 3.27Å; F480-Y489 HydrophobicContact CZ-CG 3.27Å; G485-Y489 PolarHBondContact O-N 3.01Å; R486-Y489 PolarHBondContact O-N 3.39Å; G487-Y489 VanDerWaalsContact C-N 3.33Å; G487-Y489 PolarHBondContact O-N 3.02Å; Y489-I491 PolarHBondContact O-N 3.38Å; Y489-S492 WeakPolarHBondContact CA-OG 3.32Å; Y489-S492 PolarHBondContact O-N 3.03Å; Y489-S492 PolarHBondContact O-OG 3.37Å; Y489-S493 WeakPolarHBondContact CD1-OG 3.4Å; Y489-S493 WeakPolarHBondContact CE1-OG 3.39Å; Y489-S493 WeakPolarHBondContact O-CB 3.25Å; Y489-S493 PolarHBondContact O-N 3.29Å; Y489-S493 PolarHBondContact O-OG 3.19Å
490	L	87.5	Confident	88.3	Confident	20 Å²	20	58.8 Å²	58.8	11%	0.105	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-48.2	179.2	-174.7	61.5	0	0	0	111.9	R486 G487 M488 S492 S493 I494 C565 Q569 P661	R486-L490 PolarHBondContact O-N 3.32Å; G487-L490 PolarHBondContact O-N 3.34Å; M488-L490 PolarHBondContact O-N 3.43Å; L490-S492 VanDerWaalsContact C-N 3.32Å; L490-S492 PolarHBondContact O-N 2.75Å; L490-S493 PolarHBondContact O-N 3.45Å; L490-I494 HydrophobicContact CD1-CD1 3.75Å; L490-I494 HydrophobicContact CD1-CG1 4.43Å; L490-I494 HydrophobicContact CG-CD1 4.11Å; L490-I494 WeakPolarHBondContact O-CG1 3.12Å; L490-I494 PolarHBondContact O-N 3.37Å; L490-C565 HydrophobicContact CD2-CB 3.82Å; L490-Q569 HydrophobicContact CD2-CG 4.16Å; L490-P661 HydrophobicContact CD1-CG 4.24Å; L490-P661 HydrophobicContact CD2-CB 4.36Å; L490-P661 HydrophobicContact CD2-CG 3.79Å; L490-P661 HydrophobicContact CG-CG 4.11Å
491	I	90.7	Very high	89.3	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-46.3	177	-71	169.6	0	0	0	110.2	G487 M488 Y489 S493 I494 L497 I501 L558 L561 T562	G487-I491 WeakPolarHBondContact O-CG1 3.27Å; G487-I491 PolarHBondContact O-N 2.96Å; M488-I491 PolarHBondContact O-N 2.88Å; Y489-I491 PolarHBondContact O-N 3.38Å; I491-S493 VanDerWaalsContact C-N 3.29Å; I491-S493 PolarHBondContact O-N 2.89Å; I491-I494 PolarHBondContact O-N 3.03Å; I491-L497 HydrophobicContact CG1-CD1 4.38Å; I491-L497 HydrophobicContact CG2-CB 4.29Å; I491-I501 HydrophobicContact CG2-CD1 3.68Å; I491-L558 HydrophobicContact CD1-CD1 4.24Å; I491-L561 HydrophobicContact CD1-CD2 4.25Å; I491-L561 HydrophobicContact CD1-CG 4.34Å; I491-T562 HydrophobicContact CD1-CG2 4.34Å; I491-T562 VanDerWaalsContact CD1-OG1 3.26Å; I491-T562 WeakPolarHBondContact CD1-OG1 3.49Å
492	S	88.6	Confident	90.1	Very high	13 Å²	13	49.3 Å²	49.3	9%	0.091	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-25	-178.8	73.5	0	0	0	0	114.2	P467 M488 Y489 L490	P467-S492 WeakPolarHBondContact CB-OG 3.46Å; M488-S492 WeakPolarHBondContact O-CB 3.39Å; M488-S492 PolarHBondContact O-N 3.2Å; M488-S492 PolarHBondContact O-OG 2.96Å; Y489-S492 WeakPolarHBondContact CA-OG 3.32Å; Y489-S492 PolarHBondContact O-N 3.03Å; Y489-S492 PolarHBondContact O-OG 3.37Å; L490-S492 VanDerWaalsContact C-N 3.32Å; L490-S492 PolarHBondContact O-N 2.75Å
493	S	86.1	Confident	90.6	Very high	63 Å²	63	49.7 Å²	49.7	44%	0.441	24%	0.243	S	C	.	.	H	α-helix	trans	-83.3	-24.3	-179.1	-60.4	0	0	0	0	112.6	Y489 L490 I491	Y489-S493 WeakPolarHBondContact CD1-OG 3.4Å; Y489-S493 WeakPolarHBondContact CE1-OG 3.39Å; Y489-S493 WeakPolarHBondContact O-CB 3.25Å; Y489-S493 PolarHBondContact O-N 3.29Å; Y489-S493 PolarHBondContact O-OG 3.19Å; L490-S493 PolarHBondContact O-N 3.45Å; I491-S493 VanDerWaalsContact C-N 3.29Å; I491-S493 PolarHBondContact O-N 2.89Å
494	I	89.5	Confident	91.1	Very high	50 Å²	50	45.1 Å²	45.1	26%	0.256	23%	0.226	S	C	.	.			trans	-98.4	106.8	-177.3	-60.9	174.4	0	0	0	109	L490 I491 K496 L497 L498 P661	L490-I494 HydrophobicContact CD1-CD1 3.75Å; L490-I494 HydrophobicContact CD1-CG1 4.43Å; L490-I494 HydrophobicContact CG-CD1 4.11Å; L490-I494 WeakPolarHBondContact O-CG1 3.12Å; L490-I494 PolarHBondContact O-N 3.37Å; I491-I494 PolarHBondContact O-N 3.03Å; I494-K496 HydrophobicContact CG2-CB 4.16Å; I494-K496 PolarHBondContact O-N 3.49Å; I494-K496 VanDerWaalsContact O-N 3.09Å; I494-L497 HydrophobicContact CB-CB 4.33Å; I494-L497 HydrophobicContact CB-CD1 3.99Å; I494-L497 HydrophobicContact CB-CG 4.09Å; I494-L497 HydrophobicContact CD1-CD1 3.96Å; I494-L497 HydrophobicContact CG2-CB 4.39Å; I494-L497 HydrophobicContact CG2-CD1 4.15Å; I494-L497 HydrophobicContact CG2-CG 3.86Å; I494-L497 PolarHBondContact O-N 3.29Å; I494-L498 PolarHBondContact O-N 3.38Å; I494-P661 HydrophobicContact CD1-CG 3.39Å
495	K	90.7	Very high	91.5	Very high	177 Å²	177	42 Å²	42	77%	0.77	21%	0.21	S	C	*	.	H	α-helix	trans	-51.7	-37.1	179.2	-67	-175.8	179.8	179.9	0	113.4	L497 L499	K495-L497 PolarHBondContact O-N 2.77Å; K495-L499 VanDerWaalsContact O-CB 3.29Å; K495-L499 WeakPolarHBondContact O-CB 3.27Å; K495-L499 PolarHBondContact O-N 2.92Å
496	K	92.3	Very high	91.9	Very high	129 Å²	129	45.7 Å²	45.7	56%	0.561	23%	0.232	S	C	*	.	H	α-helix	trans	-67.4	-19.1	178.5	-62.4	-172.6	-177.6	179.5	0	113.9	I494 P500 Y659	I494-K496 HydrophobicContact CG2-CB 4.16Å; I494-K496 PolarHBondContact O-N 3.49Å; I494-K496 VanDerWaalsContact O-N 3.09Å; K496-P500 WeakPolarHBondContact O-CD 3.45Å; K496-P500 WeakPolarHBondContact O-CG 3.35Å; K496-Y659 HydrophobicContact CB-CD1 4.33Å; K496-Y659 HydrophobicContact CB-CD2 4.3Å; K496-Y659 HydrophobicContact CB-CG 4.05Å; K496-Y659 HydrophobicContact CD-CD1 3.61Å; K496-Y659 HydrophobicContact CD-CE1 3.61Å; K496-Y659 HydrophobicContact CD-CG 4.18Å
497	L	92.7	Very high	92.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-97.3	-45.9	173.6	-60.6	177.4	0	0	0	110.9	I491 I494 K495 I501 L656	I491-L497 HydrophobicContact CG1-CD1 4.38Å; I491-L497 HydrophobicContact CG2-CB 4.29Å; I494-L497 HydrophobicContact CB-CB 4.33Å; I494-L497 HydrophobicContact CB-CD1 3.99Å; I494-L497 HydrophobicContact CB-CG 4.09Å; I494-L497 HydrophobicContact CD1-CD1 3.96Å; I494-L497 HydrophobicContact CG2-CB 4.39Å; I494-L497 HydrophobicContact CG2-CD1 4.15Å; I494-L497 HydrophobicContact CG2-CG 3.86Å; I494-L497 PolarHBondContact O-N 3.29Å; K495-L497 PolarHBondContact O-N 2.77Å; L497-I501 WeakPolarHBondContact O-CD1 3.27Å; L497-I501 WeakPolarHBondContact O-CG1 3.17Å; L497-L656 HydrophobicContact CB-CD2 3.97Å; L497-L656 HydrophobicContact CD2-CD2 3.71Å; L497-L656 HydrophobicContact CG-CD2 4.46Å; L497-L656 WeakPolarHBondContact O-CD2 3.47Å
498	L	94.1	Very high	92.6	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.12	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-49.8	-176.6	178.6	65	0	0	0	113.2	V464 I468 I494 I501 L502	V464-L498 HydrophobicContact CG1-CD1 3.43Å; V464-L498 VanDerWaalsContact CG1-CD1 3.43Å; I468-L498 HydrophobicContact CD1-CD1 4.15Å; I468-L498 HydrophobicContact CD1-CD2 3.47Å; I468-L498 VanDerWaalsContact CD1-CD2 3.47Å; I468-L498 HydrophobicContact CD1-CG 4.46Å; I494-L498 PolarHBondContact O-N 3.38Å; L498-I501 PolarHBondContact O-N 2.97Å; L498-L502 HydrophobicContact CD1-CD1 3.83Å; L498-L502 HydrophobicContact CD1-CD2 4.22Å; L498-L502 HydrophobicContact CD1-CG 3.84Å; L498-L502 HydrophobicContact CD2-CD1 4.17Å; L498-L502 HydrophobicContact CG-CD1 3.76Å; L498-L502 HydrophobicContact CG-CG 4.1Å; L498-L502 WeakPolarHBondContact O-CG 3.39Å; L498-L502 PolarHBondContact O-N 2.93Å
499	L	95	Very high	92.8	Very high	110 Å²	110	47.7 Å²	47.7	58%	0.576	24%	0.242	S	C	*	.	H	α-helix	trans	-62.6	-45.6	-170.5	-178.2	66.1	0	0	0	112.8	K495 I501 L502 V503	K495-L499 VanDerWaalsContact O-CB 3.29Å; K495-L499 WeakPolarHBondContact O-CB 3.27Å; K495-L499 PolarHBondContact O-N 2.92Å; L499-I501 VanDerWaalsContact C-N 3.27Å; L499-I501 PolarHBondContact O-N 3.38Å; L499-L502 PolarHBondContact O-N 3.17Å; L499-V503 HydrophobicContact CD1-CG2 3.99Å; L499-V503 HydrophobicContact CG-CG2 4.22Å; L499-V503 WeakPolarHBondContact O-CB 3.21Å; L499-V503 VanDerWaalsContact O-CG2 3.31Å; L499-V503 WeakPolarHBondContact O-CG2 3.27Å; L499-V503 PolarHBondContact O-N 2.88Å
500	P	96.5	Very high	93.1	Very high	23 Å²	23	46.4 Å²	46.4	15%	0.149	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-39.3	174.6	-26.1	34.8	0	0	0	113.5	K496 F504 V652 I655	K496-P500 WeakPolarHBondContact O-CD 3.45Å; K496-P500 WeakPolarHBondContact O-CG 3.35Å; P500-F504 WeakPolarHBondContact O-CB 3.3Å; P500-F504 PolarHBondContact O-N 3.37Å; P500-V652 HydrophobicContact CB-CG1 4.14Å; P500-V652 HydrophobicContact CB-CG2 4.26Å; P500-I655 HydrophobicContact CB-CG2 4.3Å; P500-I655 HydrophobicContact CG-CG2 3.75Å
501	I	96.6	Very high	93.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.4	-49.1	177.7	-60.7	165.1	0	0	0	110.2	V464 I491 L497 L498 L499 V503 F504 M505 F554 L558 V652 L656	V464-I501 HydrophobicContact CG1-CG2 4.15Å; V464-I501 HydrophobicContact CG2-CG2 3.83Å; I491-I501 HydrophobicContact CG2-CD1 3.68Å; L497-I501 WeakPolarHBondContact O-CD1 3.27Å; L497-I501 WeakPolarHBondContact O-CG1 3.17Å; L498-I501 PolarHBondContact O-N 2.97Å; L499-I501 VanDerWaalsContact C-N 3.27Å; L499-I501 PolarHBondContact O-N 3.38Å; I501-V503 PolarHBondContact O-N 3.33Å; I501-F504 PolarHBondContact O-N 3.41Å; I501-M505 HydrophobicContact CG2-CG 4.35Å; I501-M505 VanDerWaalsContact O-CG 3.29Å; I501-M505 WeakPolarHBondContact O-CG 3.46Å; I501-M505 PolarHBondContact O-N 3.03Å; I501-F554 HydrophobicContact CG1-CZ 4.34Å; I501-F554 HydrophobicContact CG2-CE1 4.23Å; I501-F554 HydrophobicContact CG2-CZ 4.37Å; I501-L558 HydrophobicContact CD1-CD1 3.74Å; I501-L558 HydrophobicContact CG2-CD2 4.49Å; I501-V652 HydrophobicContact CG1-CG1 4.39Å; I501-L656 HydrophobicContact CD1-CD1 4.15Å; I501-L656 HydrophobicContact CD1-CD2 3.85Å; I501-L656 HydrophobicContact CG1-CD1 3.94Å; I501-L656 HydrophobicContact CG1-CD2 3.99Å; I501-L656 HydrophobicContact CG1-CG 4.48Å
502	L	95.8	Very high	93.7	Very high	43 Å²	43	48.2 Å²	48.2	23%	0.225	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-41.5	-178.8	-65.2	-178.1	0	0	0	112.5	F461 V464 V465 L498 L499 F504 M505 V506	F461-L502 HydrophobicContact CD2-CD2 4.46Å; F461-L502 HydrophobicContact CE2-CD2 4Å; V464-L502 HydrophobicContact CG1-CD2 4.24Å; V465-L502 HydrophobicContact CG2-CD2 3.65Å; L498-L502 HydrophobicContact CD1-CD1 3.83Å; L498-L502 HydrophobicContact CD1-CD2 4.22Å; L498-L502 HydrophobicContact CD1-CG 3.84Å; L498-L502 HydrophobicContact CD2-CD1 4.17Å; L498-L502 HydrophobicContact CG-CD1 3.76Å; L498-L502 HydrophobicContact CG-CG 4.1Å; L498-L502 WeakPolarHBondContact O-CG 3.39Å; L498-L502 PolarHBondContact O-N 2.93Å; L499-L502 PolarHBondContact O-N 3.17Å; L502-F504 VanDerWaalsContact C-N 3.33Å; L502-F504 PolarHBondContact O-N 2.75Å; L502-M505 PolarHBondContact O-N 3.22Å; L502-V506 WeakPolarHBondContact O-CG2 3.32Å; L502-V506 PolarHBondContact O-N 2.92Å
503	V	96.1	Very high	94.1	Very high	83 Å²	83	47.7 Å²	47.7	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-44.5	176.1	170.4	0	0	0	0	110.4	L499 I501 V506 Y507	L499-V503 HydrophobicContact CD1-CG2 3.99Å; L499-V503 HydrophobicContact CG-CG2 4.22Å; L499-V503 WeakPolarHBondContact O-CB 3.21Å; L499-V503 VanDerWaalsContact O-CG2 3.31Å; L499-V503 WeakPolarHBondContact O-CG2 3.27Å; L499-V503 PolarHBondContact O-N 2.88Å; I501-V503 PolarHBondContact O-N 3.33Å; V503-V506 PolarHBondContact O-N 3.36Å; V503-Y507 WeakPolarHBondContact O-CB 3.38Å; V503-Y507 PolarHBondContact O-N 2.97Å
504	F	95.7	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-43.4	175.8	168.5	-118	0	0	0	112.8	P500 I501 L502 V506 Y507 Q508 L551 F554 I648 P649 V652	P500-F504 WeakPolarHBondContact O-CB 3.3Å; P500-F504 PolarHBondContact O-N 3.37Å; I501-F504 PolarHBondContact O-N 3.41Å; L502-F504 VanDerWaalsContact C-N 3.33Å; L502-F504 PolarHBondContact O-N 2.75Å; F504-V506 VanDerWaalsContact C-N 3.31Å; F504-V506 PolarHBondContact O-N 3.1Å; F504-Y507 WeakPolarHBondContact O-CB 3.38Å; F504-Y507 PolarHBondContact O-N 3.17Å; F504-Q508 HydrophobicContact CE2-CB 4.34Å; F504-Q508 PolarHBondContact O-N 3.24Å; F504-L551 HydrophobicContact CE1-CD1 4.48Å; F504-F554 AromaticContact CD1-CD1 3.94Å; F504-F554 HydrophobicContact CD1-CD1 3.94Å; F504-F554 HydrophobicContact CD1-CD2 4.39Å; F504-F554 AromaticContact CD1-CE1 3.74Å; F504-F554 HydrophobicContact CD1-CE1 3.74Å; F504-F554 HydrophobicContact CD1-CE2 4.22Å; F504-F554 HydrophobicContact CD1-CG 4.25Å; F504-F554 AromaticContact CD1-CZ 3.88Å; F504-F554 HydrophobicContact CD1-CZ 3.88Å; F504-F554 HydrophobicContact CE1-CB 4.17Å; F504-F554 AromaticContact CE1-CD1 3.54Å; F504-F554 HydrophobicContact CE1-CD1 3.54Å; F504-F554 HydrophobicContact CE1-CD2 4.07Å; F504-F554 AromaticContact CE1-CE1 3.86Å; F504-F554 HydrophobicContact CE1-CE1 3.86Å; F504-F554 HydrophobicContact CE1-CE2 4.35Å; F504-F554 AromaticContact CE1-CG 3.64Å; F504-F554 HydrophobicContact CE1-CG 3.64Å; F504-F554 HydrophobicContact CE1-CZ 4.25Å; F504-I648 HydrophobicContact CB-CG2 4.19Å; F504-I648 HydrophobicContact CD2-CG2 3.71Å; F504-I648 HydrophobicContact CG-CG2 4.32Å; F504-P649 HydrophobicContact CD2-CG 4.28Å; F504-P649 HydrophobicContact CE2-CB 4.21Å; F504-P649 HydrophobicContact CE2-CG 3.54Å; F504-P649 HydrophobicContact CZ-CB 4.11Å; F504-P649 HydrophobicContact CZ-CG 3.76Å; F504-V652 HydrophobicContact CB-CG2 3.96Å
505	M	95.5	Very high	94.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.4	-42.7	177.5	-68.7	-60.3	-71.4	0	0	111.6	W457 I460 F461 I501 L502 L551	W457-M505 HydrophobicContact CD2-CE 3.97Å; W457-M505 HydrophobicContact CG-CE 3.81Å; W457-M505 HydrophobicContact CZ2-CB 4.2Å; W457-M505 PolarHBondContact NE1-O 3.34Å; W457-M505 WeakPolarHBondContact O-CE 3.46Å; I460-M505 HydrophobicContact CB-CE 3.79Å; I460-M505 HydrophobicContact CB-SD 4.37Å; I460-M505 HydrophobicContact CG2-CE 3.75Å; I460-M505 HydrophobicContact CG2-SD 3.71Å; F461-M505 HydrophobicContact CB-CE 3.87Å; F461-M505 HydrophobicContact CD2-CB 4.13Å; F461-M505 HydrophobicContact CD2-CG 4.49Å; I501-M505 HydrophobicContact CG2-CG 4.35Å; I501-M505 VanDerWaalsContact O-CG 3.29Å; I501-M505 WeakPolarHBondContact O-CG 3.46Å; I501-M505 PolarHBondContact O-N 3.03Å; L502-M505 PolarHBondContact O-N 3.22Å; M505-L551 HydrophobicContact CE-CD1 4.43Å; M505-L551 HydrophobicContact SD-CD1 4.04Å
506	V	95.4	Very high	95	Very high	79 Å²	79	36.3 Å²	36.3	48%	0.479	20%	0.199	S	C	.	.	H	α-helix	trans	-67.8	-42.3	175.8	174.9	0	0	0	0	111.4	L502 V503 F504 Q508 I509 S510	L502-V506 WeakPolarHBondContact O-CG2 3.32Å; L502-V506 PolarHBondContact O-N 2.92Å; V503-V506 PolarHBondContact O-N 3.36Å; F504-V506 VanDerWaalsContact C-N 3.31Å; F504-V506 PolarHBondContact O-N 3.1Å; V506-Q508 VanDerWaalsContact C-N 3.31Å; V506-Q508 PolarHBondContact O-N 2.99Å; V506-I509 VanDerWaalsContact O-CG1 3.22Å; V506-I509 WeakPolarHBondContact O-CG1 3.48Å; V506-I509 PolarHBondContact O-N 3.07Å; V506-S510 PolarHBondContact O-N 3.35Å; V506-S510 PolarHBondContact O-OG 3.04Å
507	Y	95.6	Very high	95	Very high	38 Å²	38	37 Å²	37	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-55.7	-46.9	177.7	-175.9	-77	0	0	0	111.3	V503 F504 I509 S510 C511 P512 P644 G645 I648	V503-Y507 WeakPolarHBondContact O-CB 3.38Å; V503-Y507 PolarHBondContact O-N 2.97Å; F504-Y507 WeakPolarHBondContact O-CB 3.38Å; F504-Y507 PolarHBondContact O-N 3.17Å; Y507-I509 PolarHBondContact O-N 3.15Å; Y507-I509 VanDerWaalsContact O-N 3.09Å; Y507-S510 PolarHBondContact O-N 3.02Å; Y507-S510 VanDerWaalsContact O-N 3.11Å; Y507-C511 HydrophobicContact CD1-CB 3.83Å; Y507-C511 HydrophobicContact CD2-CB 3.53Å; Y507-C511 HydrophobicContact CE1-CB 3.56Å; Y507-C511 HydrophobicContact CE2-CB 3.29Å; Y507-C511 HydrophobicContact CG-CB 3.76Å; Y507-C511 WeakPolarHBondContact O-CB 3.43Å; Y507-C511 PolarHBondContact O-N 3.18Å; Y507-P512 VanDerWaalsContact CE1-O 3.3Å; Y507-P512 WeakPolarHBondContact CE1-O 3.48Å; Y507-P512 PolarHBondContact OH-O 3.48Å; Y507-P644 VanDerWaalsContact OH-CB 3.27Å; Y507-P644 WeakPolarHBondContact OH-CB 3.37Å; Y507-P644 WeakPolarHBondContact OH-CG 3.48Å; Y507-G645 VanDerWaalsContact CE1-CA 3.5Å; Y507-I648 HydrophobicContact CD1-CD1 3.82Å; Y507-I648 HydrophobicContact CD2-CD1 3.47Å; Y507-I648 VanDerWaalsContact CD2-CD1 3.47Å; Y507-I648 HydrophobicContact CE1-CD1 3.73Å; Y507-I648 HydrophobicContact CE2-CD1 3.31Å; Y507-I648 HydrophobicContact CG-CD1 3.74Å; Y507-I648 VanDerWaalsContact CZ-CD1 3.48Å
508	Q	92.9	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.3	-26.9	-172.7	-165.5	64.8	10.3	0	0	114.3	Y453 F504 V506 S528 Q550	Y453-Q508 HydrophobicContact CE2-CG 4.5Å; Y453-Q508 PolarHBondContact OH-O 2.84Å; F504-Q508 HydrophobicContact CE2-CB 4.34Å; F504-Q508 PolarHBondContact O-N 3.24Å; V506-Q508 VanDerWaalsContact C-N 3.31Å; V506-Q508 PolarHBondContact O-N 2.99Å; Q508-S528 PolarHBondContact O-OG 3.02Å; Q508-Q550 VanDerWaalsContact NE2-OE1 3.12Å; Q508-Q550 VanDerWaalsContact OE1-NE2 3.16Å
509	I	94	Very high	94.9	Very high	57 Å²	57	35.9 Å²	35.9	29%	0.292	19%	0.193	S	C	.	.	H	α-helix	trans	-98	-13.1	-179.3	59.4	167.1	0	0	0	113.8	Y453 W457 V506 Y507	Y453-I509 HydrophobicContact CE1-CG2 4.34Å; W457-I509 HydrophobicContact CD2-CG2 4.18Å; W457-I509 HydrophobicContact CG-CG2 4.04Å; W457-I509 HydrophobicContact CH2-CD1 4.3Å; W457-I509 HydrophobicContact CZ2-CD1 3.83Å; W457-I509 HydrophobicContact CZ2-CG1 4.46Å; V506-I509 VanDerWaalsContact O-CG1 3.22Å; V506-I509 WeakPolarHBondContact O-CG1 3.48Å; V506-I509 PolarHBondContact O-N 3.07Å; Y507-I509 PolarHBondContact O-N 3.15Å; Y507-I509 VanDerWaalsContact O-N 3.09Å
510	S	93.4	Very high	94.5	Very high	63 Å²	63	33.5 Å²	33.5	44%	0.441	19%	0.189	S	C	.	.	H	α-helix	trans	-124.7	-21.1	-169.6	59	0	0	0	0	114.5	V506 Y507	V506-S510 PolarHBondContact O-N 3.35Å; V506-S510 PolarHBondContact O-OG 3.04Å; Y507-S510 PolarHBondContact O-N 3.02Å; Y507-S510 VanDerWaalsContact O-N 3.11Å
511	C	95.9	Very high	94.1	Very high	39 Å²	39	38.4 Å²	38.4	26%	0.264	21%	0.214	S	C	.	.	S	Bend	trans	-116.5	165.8	-172.9	-65.3	0	0	0	0	112.2	Y507	Y507-C511 HydrophobicContact CD1-CB 3.83Å; Y507-C511 HydrophobicContact CD2-CB 3.53Å; Y507-C511 HydrophobicContact CE1-CB 3.56Å; Y507-C511 HydrophobicContact CE2-CB 3.29Å; Y507-C511 HydrophobicContact CG-CB 3.76Å; Y507-C511 WeakPolarHBondContact O-CB 3.43Å; Y507-C511 PolarHBondContact O-N 3.18Å
512	P	96	Very high	93.8	Very high	23 Å²	23	40.5 Å²	40.5	15%	0.149	22%	0.223	C	C	.	.			trans	-64.9	139.3	-179.4	-24.2	36.3	0	0	0	113.4	Y507 M515 I525 V526 F527 G645	Y507-P512 VanDerWaalsContact CE1-O 3.3Å; Y507-P512 WeakPolarHBondContact CE1-O 3.48Å; Y507-P512 PolarHBondContact OH-O 3.48Å; P512-M515 HydrophobicContact CB-CE 3.73Å; P512-M515 HydrophobicContact CG-CE 3.8Å; P512-I525 HydrophobicContact CB-CG2 3.59Å; P512-I525 HydrophobicContact CG-CG2 3.43Å; P512-I525 VanDerWaalsContact CG-CG2 3.43Å; P512-V526 CarbonylContact C-O 3.29Å; P512-V526 WeakPolarHBondContact CA-O 3.25Å; P512-F527 HydrophobicContact CG-CD1 4.49Å; P512-F527 HydrophobicContact CG-CE1 3.87Å; P512-F527 HydrophobicContact CG-CZ 4.1Å; P512-G645 PolarHBondContact O-N 3.39Å
513	L	95.4	Very high	93.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	23%	0.231	C	C	.	.	S	Bend	trans	-68.2	-53.5	163.8	-62.2	178.5	0	0	0	109.8	V526 A547 S643 G645	L513-V526 HydrophobicContact CB-CG1 4.47Å; L513-V526 HydrophobicContact CD1-CG1 4.32Å; L513-V526 PolarHBondContact N-O 3.27Å; L513-A547 HydrophobicContact CD1-CB 4.12Å; L513-A547 HydrophobicContact CD2-CB 4.27Å; L513-S643 CarbonylContact O-C 3.4Å; L513-S643 VanDerWaalsContact O-C 3.29Å; L513-S643 WeakPolarHBondContact O-CA 3.28Å; L513-G645 PolarHBondContact O-N 2.99Å
514	F	96	Very high	93.7	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	165.6	175.3	62.4	-88.9	0	0	0	111.6	L196 L518 V526 V631 Y635 V639 L642 S643	L196-F514 HydrophobicContact CD1-CE1 4.4Å; L196-F514 HydrophobicContact CD1-CZ 3.68Å; F514-L518 HydrophobicContact CD2-CD2 4.33Å; F514-L518 HydrophobicContact CE2-CD2 3.95Å; F514-V526 HydrophobicContact CD1-CB 4.1Å; F514-V526 HydrophobicContact CD1-CG1 4.25Å; F514-V526 HydrophobicContact CD1-CG2 4.47Å; F514-V526 HydrophobicContact CD2-CB 4.26Å; F514-V526 HydrophobicContact CD2-CG2 3.89Å; F514-V526 HydrophobicContact CE1-CB 3.93Å; F514-V526 HydrophobicContact CE1-CG1 3.76Å; F514-V526 HydrophobicContact CE1-CG2 4.07Å; F514-V526 HydrophobicContact CE2-CB 4.12Å; F514-V526 HydrophobicContact CE2-CG2 3.44Å; F514-V526 VanDerWaalsContact CE2-CG2 3.44Å; F514-V526 HydrophobicContact CG-CB 4.27Å; F514-V526 HydrophobicContact CG-CG2 4.4Å; F514-V526 HydrophobicContact CZ-CB 3.97Å; F514-V526 HydrophobicContact CZ-CG1 4Å; F514-V526 HydrophobicContact CZ-CG2 3.56Å; F514-V526 PolarHBondContact O-N 2.77Å; F514-V631 HydrophobicContact CB-CG1 4.42Å; F514-V631 HydrophobicContact CD1-CG2 3.92Å; F514-V631 HydrophobicContact CD2-CG1 3.95Å; F514-V631 HydrophobicContact CE1-CG2 4.01Å; F514-V631 HydrophobicContact CE2-CG1 4.29Å; F514-V631 HydrophobicContact CG-CG1 4.12Å; F514-V631 HydrophobicContact CG-CG2 4.2Å; F514-V631 HydrophobicContact CZ-CG2 4.36Å; F514-Y635 HydrophobicContact CE2-CD2 4.03Å; F514-Y635 HydrophobicContact CE2-CE2 4Å; F514-Y635 HydrophobicContact CZ-CD2 4.46Å; F514-Y635 HydrophobicContact CZ-CE2 4.08Å; F514-V639 HydrophobicContact CD2-CG1 3.71Å; F514-V639 HydrophobicContact CE2-CG1 4.35Å; F514-L642 CarbonylContact C-O 3.58Å; F514-L642 VanDerWaalsContact CA-O 3.27Å; F514-L642 WeakPolarHBondContact CA-O 3.33Å; F514-S643 VanDerWaalsContact CB-OG 3.32Å; F514-S643 WeakPolarHBondContact CB-OG 3.39Å
515	M	96	Very high	93.8	Very high	45 Å²	45	41.1 Å²	41.1	22%	0.222	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	153	-179.2	64.8	-169.2	83.3	0	0	111.9	P512 F523 G524 I525 L642 P644	P512-M515 HydrophobicContact CB-CE 3.73Å; P512-M515 HydrophobicContact CG-CE 3.8Å; M515-F523 HydrophobicContact CB-CE1 4.11Å; M515-F523 HydrophobicContact CB-CZ 3.96Å; M515-F523 HydrophobicContact CG-CE1 4.48Å; M515-F523 HydrophobicContact CG-CZ 3.94Å; M515-F523 HydrophobicContact SD-CZ 4.33Å; M515-G524 CarbonylContact C-O 3.59Å; M515-G524 VanDerWaalsContact CA-O 3.24Å; M515-G524 WeakPolarHBondContact CA-O 3.37Å; M515-G524 WeakPolarHBondContact CB-O 3.35Å; M515-I525 HydrophobicContact CB-CB 4.44Å; M515-I525 HydrophobicContact CB-CG1 4.17Å; M515-I525 HydrophobicContact CB-CG2 4.38Å; M515-L642 HydrophobicContact CG-CB 4Å; M515-L642 PolarHBondContact N-O 3.46Å; M515-L642 VanDerWaalsContact O-CB 3.25Å; M515-L642 WeakPolarHBondContact O-CB 3.35Å; M515-P644 HydrophobicContact CE-CG 4.13Å
516	G	94.7	Very high	93.8	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-166.5	-179.5	0	0	0	0	0	113.2	L518 F523 G524	G516-L518 PolarHBondContact O-N 3.19Å; G516-L518 VanDerWaalsContact O-N 3.12Å; G516-F523 CarbonylContact O-C 3.57Å; G516-F523 WeakPolarHBondContact O-CA 3.13Å; G516-G524 PolarHBondContact N-O 3.41Å; G516-G524 PolarHBondContact O-N 3.47Å
517	Y	92.6	Very high	93.8	Very high	144 Å²	144	39 Å²	39	57%	0.565	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	97.1	174.2	-66.5	-75.6	0	0	0	110.1	D521 K522 F523	Y517-D521 VanDerWaalsContact CD1-O 3.22Å; Y517-D521 WeakPolarHBondContact CD1-O 3.12Å; Y517-D521 WeakPolarHBondContact CE1-O 3.45Å; Y517-K522 WeakPolarHBondContact CA-O 3.45Å; Y517-F523 HydrophobicContact CD1-CB 4.35Å; Y517-F523 HydrophobicContact CE1-CB 4.23Å
518	L	92.6	Very high	93.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-35.2	-171.7	-57.2	-175.1	0	0	0	112	F514 G516 K522 V526 I531 I533 Y635 V639	F514-L518 HydrophobicContact CD2-CD2 4.33Å; F514-L518 HydrophobicContact CE2-CD2 3.95Å; G516-L518 PolarHBondContact O-N 3.19Å; G516-L518 VanDerWaalsContact O-N 3.12Å; L518-K522 PolarHBondContact N-O 3.09Å; L518-K522 VanDerWaalsContact N-O 3.15Å; L518-V526 HydrophobicContact CD1-CG2 3.62Å; L518-I531 HydrophobicContact CD1-CG2 3.84Å; L518-I533 HydrophobicContact CB-CD1 3.91Å; L518-I533 HydrophobicContact CD1-CD1 4.1Å; L518-I533 HydrophobicContact CD1-CG1 4.28Å; L518-Y635 HydrophobicContact CB-CD1 4.3Å; L518-Y635 HydrophobicContact CB-CE1 4.15Å; L518-Y635 HydrophobicContact CD2-CD1 3.74Å; L518-Y635 HydrophobicContact CD2-CE1 3.98Å; L518-Y635 HydrophobicContact CD2-CG 4.11Å; L518-V639 HydrophobicContact CD2-CG1 4.38Å
519	V	91.8	Very high	93.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.8	-179	-178.9	0	0	0	0	109	P145 P190 G191 L192 D521 K522 I533	P145-V519 HydrophobicContact CB-CG1 4.25Å; P190-V519 HydrophobicContact CB-CB 4.29Å; P190-V519 HydrophobicContact CB-CG1 4.05Å; P190-V519 HydrophobicContact CB-CG2 4.32Å; G191-V519 WeakPolarHBondContact O-CG2 3.17Å; L192-V519 HydrophobicContact CD2-CG2 4.31Å; V519-D521 PolarHBondContact O-N 3.3Å; V519-D521 VanDerWaalsContact O-N 3.16Å; V519-K522 WeakPolarHBondContact O-CB 3.38Å; V519-K522 PolarHBondContact O-N 3.16Å; V519-I533 HydrophobicContact CG2-CD1 4Å
520	A	86.1	Confident	93.7	Very high	60 Å²	60	37 Å²	37	50%	0.496	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	-118.6	-174.5	0	0	0	0	0	112.1	P145	P145-A520 HydrophobicContact CB-CB 4.2Å; P145-A520 HydrophobicContact CG-CB 4.32Å
521	D	87.6	Confident	93.8	Very high	126 Å²	126	34 Å²	34	67%	0.674	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	8.2	177.4	63.2	-28	0	0	0	113.5	Y517 V519	Y517-D521 VanDerWaalsContact CD1-O 3.22Å; Y517-D521 WeakPolarHBondContact CD1-O 3.12Å; Y517-D521 WeakPolarHBondContact CE1-O 3.45Å; V519-D521 PolarHBondContact O-N 3.3Å; V519-D521 VanDerWaalsContact O-N 3.16Å
522	K	91.6	Very high	93.8	Very high	43 Å²	43	36.9 Å²	36.9	19%	0.187	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	119.6	-179.2	-59.1	-173.1	173.9	-177.3	0	112.1	P145 P190 Y517 L518 V519 I533 D534	P145-K522 HydrophobicContact CB-CD 4.49Å; P145-K522 PolarHBondContact O-NZ 3.31Å; P190-K522 HydrophobicContact CG-CD 4.46Å; Y517-K522 WeakPolarHBondContact CA-O 3.45Å; L518-K522 PolarHBondContact N-O 3.09Å; L518-K522 VanDerWaalsContact N-O 3.15Å; V519-K522 WeakPolarHBondContact O-CB 3.38Å; V519-K522 PolarHBondContact O-N 3.16Å; K522-I533 HydrophobicContact CB-CG2 3.55Å; K522-I533 HydrophobicContact CD-CG2 4.22Å; K522-D534 HydrophobicContact CD-CB 4.4Å
523	F	94.1	Very high	93.8	Very high	86 Å²	86	35.8 Å²	35.8	38%	0.377	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135.7	173.6	-166.2	-86.9	0	0	0	110.6	M515 G516 Y517 I525 D534	M515-F523 HydrophobicContact CB-CE1 4.11Å; M515-F523 HydrophobicContact CB-CZ 3.96Å; M515-F523 HydrophobicContact CG-CE1 4.48Å; M515-F523 HydrophobicContact CG-CZ 3.94Å; M515-F523 HydrophobicContact SD-CZ 4.33Å; G516-F523 CarbonylContact O-C 3.57Å; G516-F523 WeakPolarHBondContact O-CA 3.13Å; Y517-F523 HydrophobicContact CD1-CB 4.35Å; Y517-F523 HydrophobicContact CE1-CB 4.23Å; F523-I525 HydrophobicContact CD1-CG1 4.42Å; F523-I525 HydrophobicContact CE1-CG1 3.96Å; F523-D534 PolarHBondContact O-N 2.96Å
524	G	95.6	Very high	93.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.8	179.7	0	0	0	0	0	113.5	M515 G516 Y532	M515-G524 CarbonylContact C-O 3.59Å; M515-G524 VanDerWaalsContact CA-O 3.24Å; M515-G524 WeakPolarHBondContact CA-O 3.37Å; M515-G524 WeakPolarHBondContact CB-O 3.35Å; G516-G524 PolarHBondContact N-O 3.41Å; G516-G524 PolarHBondContact O-N 3.47Å; G524-Y532 CarbonylContact C-O 3.59Å; G524-Y532 WeakPolarHBondContact CA-O 3.39Å
525	I	96.5	Very high	93.1	Very high	53 Å²	53	44.6 Å²	44.6	27%	0.272	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122	-179.5	-52.6	177.4	0	0	0	107.9	P512 M515 F523 F527 I531 Y532	P512-I525 HydrophobicContact CB-CG2 3.59Å; P512-I525 HydrophobicContact CG-CG2 3.43Å; P512-I525 VanDerWaalsContact CG-CG2 3.43Å; M515-I525 HydrophobicContact CB-CB 4.44Å; M515-I525 HydrophobicContact CB-CG1 4.17Å; M515-I525 HydrophobicContact CB-CG2 4.38Å; F523-I525 HydrophobicContact CD1-CG1 4.42Å; F523-I525 HydrophobicContact CE1-CG1 3.96Å; I525-F527 HydrophobicContact CB-CE2 3.97Å; I525-F527 HydrophobicContact CB-CZ 4.49Å; I525-F527 HydrophobicContact CG2-CD2 4.16Å; I525-F527 HydrophobicContact CG2-CE1 4.43Å; I525-F527 HydrophobicContact CG2-CE2 3.46Å; I525-F527 VanDerWaalsContact CG2-CE2 3.46Å; I525-F527 HydrophobicContact CG2-CZ 3.62Å; I525-I531 WeakPolarHBondContact O-CA 3.49Å; I525-Y532 PolarHBondContact N-O 3.43Å; I525-Y532 PolarHBondContact O-N 2.94Å
526	V	96.1	Very high	92.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.1	-179.5	-178.2	0	0	0	0	109.3	L196 P512 L513 F514 L518 I531 T543	L196-V526 HydrophobicContact CD1-CG1 4.3Å; L196-V526 HydrophobicContact CD1-CG2 4.35Å; P512-V526 CarbonylContact C-O 3.29Å; P512-V526 WeakPolarHBondContact CA-O 3.25Å; L513-V526 HydrophobicContact CB-CG1 4.47Å; L513-V526 HydrophobicContact CD1-CG1 4.32Å; L513-V526 PolarHBondContact N-O 3.27Å; F514-V526 HydrophobicContact CD1-CB 4.1Å; F514-V526 HydrophobicContact CD1-CG1 4.25Å; F514-V526 HydrophobicContact CD1-CG2 4.47Å; F514-V526 HydrophobicContact CD2-CB 4.26Å; F514-V526 HydrophobicContact CD2-CG2 3.89Å; F514-V526 HydrophobicContact CE1-CB 3.93Å; F514-V526 HydrophobicContact CE1-CG1 3.76Å; F514-V526 HydrophobicContact CE1-CG2 4.07Å; F514-V526 HydrophobicContact CE2-CB 4.12Å; F514-V526 HydrophobicContact CE2-CG2 3.44Å; F514-V526 VanDerWaalsContact CE2-CG2 3.44Å; F514-V526 HydrophobicContact CG-CB 4.27Å; F514-V526 HydrophobicContact CG-CG2 4.4Å; F514-V526 HydrophobicContact CZ-CB 3.97Å; F514-V526 HydrophobicContact CZ-CG1 4Å; F514-V526 HydrophobicContact CZ-CG2 3.56Å; F514-V526 PolarHBondContact O-N 2.77Å; L518-V526 HydrophobicContact CD1-CG2 3.62Å; V526-I531 HydrophobicContact CB-CG1 4.47Å; V526-I531 HydrophobicContact CG1-CG1 4.16Å; V526-I531 HydrophobicContact CG2-CD1 4.35Å; V526-I531 HydrophobicContact CG2-CG1 4.12Å; V526-I531 HydrophobicContact CG2-CG2 4.1Å; V526-T543 HydrophobicContact CG1-CG2 3.73Å
527	F	95.9	Very high	92.8	Very high	33 Å²	33	50.1 Å²	50.1	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	168.5	171.4	-61.6	-92.7	0	0	0	109.8	P512 I525 F529 G530 Y532 T543	P512-F527 HydrophobicContact CG-CD1 4.49Å; P512-F527 HydrophobicContact CG-CE1 3.87Å; P512-F527 HydrophobicContact CG-CZ 4.1Å; I525-F527 HydrophobicContact CB-CE2 3.97Å; I525-F527 HydrophobicContact CB-CZ 4.49Å; I525-F527 HydrophobicContact CG2-CD2 4.16Å; I525-F527 HydrophobicContact CG2-CE1 4.43Å; I525-F527 HydrophobicContact CG2-CE2 3.46Å; I525-F527 VanDerWaalsContact CG2-CE2 3.46Å; I525-F527 HydrophobicContact CG2-CZ 3.62Å; F527-F529 HydrophobicContact CB-CD1 3.93Å; F527-F529 HydrophobicContact CB-CD2 4.21Å; F527-F529 HydrophobicContact CB-CE1 3.65Å; F527-F529 HydrophobicContact CB-CE2 3.94Å; F527-F529 HydrophobicContact CB-CG 4.21Å; F527-F529 HydrophobicContact CB-CZ 3.65Å; F527-F529 AromaticContact CD1-CE1 3.94Å; F527-F529 HydrophobicContact CD1-CE1 3.94Å; F527-F529 AromaticContact CD1-CZ 3.71Å; F527-F529 HydrophobicContact CD1-CZ 3.71Å; F527-F529 HydrophobicContact CD2-CE2 4.4Å; F527-F529 HydrophobicContact CD2-CZ 4.26Å; F527-F529 HydrophobicContact CE1-CZ 4.42Å; F527-F529 AromaticContact CG-CE1 3.99Å; F527-F529 HydrophobicContact CG-CE1 3.99Å; F527-F529 HydrophobicContact CG-CE2 4.08Å; F527-F529 AromaticContact CG-CZ 3.62Å; F527-F529 HydrophobicContact CG-CZ 3.62Å; F527-F529 PolarHBondContact O-N 3.09Å; F527-G530 WeakPolarHBondContact CA-O 3.22Å; F527-G530 PolarHBondContact N-O 3.28Å; F527-G530 PolarHBondContact O-N 3.14Å; F527-Y532 AromaticContact CD2-CD2 3.98Å; F527-Y532 HydrophobicContact CD2-CD2 3.98Å; F527-Y532 HydrophobicContact CD2-CE2 4.43Å; F527-Y532 AromaticContact CE2-CD2 3.78Å; F527-Y532 HydrophobicContact CE2-CD2 3.78Å; F527-Y532 HydrophobicContact CE2-CE2 4.35Å; F527-T543 WeakPolarHBondContact O-CB 3.34Å; F527-T543 PolarHBondContact O-OG1 2.93Å
528	S	93.9	Very high	92.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.2	172.1	50.4	0	0	0	0	112.6	Y453 Q508 T543 Y544	Y453-S528 PolarHBondContact OH-OG 3.21Å; Q508-S528 PolarHBondContact O-OG 3.02Å; S528-T543 CarbonylContact O-C 3.58Å; S528-T543 WeakPolarHBondContact O-CB 3.13Å; S528-T543 PolarHBondContact O-OG1 3.06Å; S528-Y544 VanDerWaalsContact O-CD1 3.26Å; S528-Y544 WeakPolarHBondContact O-CD1 3.36Å; S528-Y544 VanDerWaalsContact O-CG 3.3Å; S528-Y544 PolarHBondContact O-N 3Å
529	F	92	Very high	92.8	Very high	55 Å²	55	44.3 Å²	44.3	24%	0.241	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7.7	-175.6	56.5	-97.8	0	0	0	115.4	F527 Y532 Y537 R541 Y544	F527-F529 HydrophobicContact CB-CD1 3.93Å; F527-F529 HydrophobicContact CB-CD2 4.21Å; F527-F529 HydrophobicContact CB-CE1 3.65Å; F527-F529 HydrophobicContact CB-CE2 3.94Å; F527-F529 HydrophobicContact CB-CG 4.21Å; F527-F529 HydrophobicContact CB-CZ 3.65Å; F527-F529 AromaticContact CD1-CE1 3.94Å; F527-F529 HydrophobicContact CD1-CE1 3.94Å; F527-F529 AromaticContact CD1-CZ 3.71Å; F527-F529 HydrophobicContact CD1-CZ 3.71Å; F527-F529 HydrophobicContact CD2-CE2 4.4Å; F527-F529 HydrophobicContact CD2-CZ 4.26Å; F527-F529 HydrophobicContact CE1-CZ 4.42Å; F527-F529 AromaticContact CG-CE1 3.99Å; F527-F529 HydrophobicContact CG-CE1 3.99Å; F527-F529 HydrophobicContact CG-CE2 4.08Å; F527-F529 AromaticContact CG-CZ 3.62Å; F527-F529 HydrophobicContact CG-CZ 3.62Å; F527-F529 PolarHBondContact O-N 3.09Å; F529-Y532 HydrophobicContact CE2-CE2 4.41Å; F529-Y537 PolarHBondContact O-OH 3.29Å; F529-R541 PolarHBondContact O-NH1 2.9Å; F529-Y544 HydrophobicContact CB-CE1 4.27Å; F529-Y544 VanDerWaalsContact CB-OH 3.27Å; F529-Y544 WeakPolarHBondContact CB-OH 3.44Å
530	G	94	Very high	92.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.6	-168.2	176.3	0	0	0	0	0	112.8	F527 T543	F527-G530 WeakPolarHBondContact CA-O 3.22Å; F527-G530 PolarHBondContact N-O 3.28Å; F527-G530 PolarHBondContact O-N 3.14Å; G530-T543 PolarHBondContact N-OG1 3.23Å
531	I	96.1	Very high	93.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	139.4	-169.5	-52.9	173.2	0	0	0	109.3	L192 L196 L518 I525 V526 I533 Y537 I538 E540 T543	L192-I531 HydrophobicContact CD1-CD1 3.56Å; L192-I531 HydrophobicContact CD2-CD1 4.06Å; L192-I531 HydrophobicContact CG-CD1 4.47Å; L196-I531 HydrophobicContact CB-CD1 4.27Å; L196-I531 HydrophobicContact CD1-CD1 3.86Å; L518-I531 HydrophobicContact CD1-CG2 3.84Å; I525-I531 WeakPolarHBondContact O-CA 3.49Å; V526-I531 HydrophobicContact CB-CG1 4.47Å; V526-I531 HydrophobicContact CG1-CG1 4.16Å; V526-I531 HydrophobicContact CG2-CD1 4.35Å; V526-I531 HydrophobicContact CG2-CG1 4.12Å; V526-I531 HydrophobicContact CG2-CG2 4.1Å; I531-I533 HydrophobicContact CG2-CD1 4.12Å; I531-I533 HydrophobicContact CG2-CG1 3.7Å; I531-Y537 CarbonylContact O-C 3.37Å; I531-Y537 WeakPolarHBondContact O-CA 3.24Å; I531-I538 HydrophobicContact CB-CB 4.41Å; I531-I538 PolarHBondContact N-O 2.94Å; I531-I538 PolarHBondContact O-N 3.04Å; I531-E540 HydrophobicContact CD1-CB 3.84Å; I531-E540 HydrophobicContact CD1-CG 4.11Å; I531-E540 HydrophobicContact CG1-CB 4.29Å; I531-T543 HydrophobicContact CD1-CG2 4.11Å; I531-T543 HydrophobicContact CG1-CG2 3.84Å
532	Y	96.2	Very high	93.4	Very high	98 Å²	98	38.9 Å²	38.9	38%	0.384	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.6	166.2	-74.4	-94.6	0	0	0	108.9	G524 I525 F527 F529 I536 Y537	G524-Y532 CarbonylContact C-O 3.59Å; G524-Y532 WeakPolarHBondContact CA-O 3.39Å; I525-Y532 PolarHBondContact N-O 3.43Å; I525-Y532 PolarHBondContact O-N 2.94Å; F527-Y532 AromaticContact CD2-CD2 3.98Å; F527-Y532 HydrophobicContact CD2-CD2 3.98Å; F527-Y532 HydrophobicContact CD2-CE2 4.43Å; F527-Y532 AromaticContact CE2-CD2 3.78Å; F527-Y532 HydrophobicContact CE2-CD2 3.78Å; F527-Y532 HydrophobicContact CE2-CE2 4.35Å; F529-Y532 HydrophobicContact CE2-CE2 4.41Å; Y532-I536 CarbonylContact C-O 3.58Å; Y532-I536 VanDerWaalsContact CA-O 3.31Å; Y532-I536 WeakPolarHBondContact CA-O 3.42Å; Y532-Y537 HydrophobicContact CD1-CD2 4.5Å; Y532-Y537 HydrophobicContact CD2-CD2 4.08Å; Y532-Y537 HydrophobicContact CE1-CD2 4.06Å; Y532-Y537 HydrophobicContact CE1-CG 4.29Å; Y532-Y537 AromaticContact CE2-CD2 3.59Å; Y532-Y537 HydrophobicContact CE2-CD2 3.59Å; Y532-Y537 HydrophobicContact CE2-CE2 4.16Å; Y532-Y537 AromaticContact CZ-CD2 3.58Å
533	I	94.9	Very high	93.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.1	173.3	-57.2	-168.5	0	0	0	107.8	P190 L192 L518 V519 K522 I531 G535 I536 I538	P190-I533 HydrophobicContact CG-CB 4.01Å; P190-I533 HydrophobicContact CG-CD1 4.17Å; P190-I533 HydrophobicContact CG-CG2 3.8Å; L192-I533 HydrophobicContact CD2-CD1 3.3Å; L192-I533 HydrophobicContact CD2-CG1 4.46Å; L518-I533 HydrophobicContact CB-CD1 3.91Å; L518-I533 HydrophobicContact CD1-CD1 4.1Å; L518-I533 HydrophobicContact CD1-CG1 4.28Å; V519-I533 HydrophobicContact CG2-CD1 4Å; K522-I533 HydrophobicContact CB-CG2 3.55Å; K522-I533 HydrophobicContact CD-CG2 4.22Å; I531-I533 HydrophobicContact CG2-CD1 4.12Å; I531-I533 HydrophobicContact CG2-CG1 3.7Å; I533-G535 PolarHBondContact O-N 2.96Å; I533-I536 PolarHBondContact N-O 3.38Å; I533-I536 WeakPolarHBondContact O-CB 3.33Å; I533-I536 PolarHBondContact O-N 3.33Å; I533-I538 HydrophobicContact CB-CD1 4.46Å; I533-I538 HydrophobicContact CD1-CD1 3.97Å; I533-I538 HydrophobicContact CG1-CD1 4.14Å
534	D	88	Confident	93.6	Very high	115 Å²	115	33.4 Å²	33.4	62%	0.615	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	43.9	177.1	-161.5	26.4	0	0	0	113.5	K522 F523 I536	K522-D534 HydrophobicContact CD-CB 4.4Å; F523-D534 PolarHBondContact O-N 2.96Å; D534-I536 VanDerWaalsContact C-N 3.25Å; D534-I536 PolarHBondContact O-N 2.88Å
535	G	88.4	Confident	93.5	Very high	75 Å²	75	36.8 Å²	36.8	77%	0.773	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	-7.1	-177.9	0	0	0	0	0	115.9	I533	I533-G535 PolarHBondContact O-N 2.96Å
536	I	91.7	Very high	93.3	Very high	77 Å²	77	35 Å²	35	40%	0.395	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.2	178.7	-56.1	173.1	0	0	0	109.8	Y532 I533 D534	Y532-I536 CarbonylContact C-O 3.58Å; Y532-I536 VanDerWaalsContact CA-O 3.31Å; Y532-I536 WeakPolarHBondContact CA-O 3.42Å; I533-I536 PolarHBondContact N-O 3.38Å; I533-I536 WeakPolarHBondContact O-CB 3.33Å; I533-I536 PolarHBondContact O-N 3.33Å; D534-I536 VanDerWaalsContact C-N 3.25Å; D534-I536 PolarHBondContact O-N 2.88Å
537	Y	93.3	Very high	93.2	Very high	87 Å²	87	35 Å²	35	34%	0.341	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.2	171.6	176.5	-111.9	0	0	0	110.9	F529 I531 Y532 P539	F529-Y537 PolarHBondContact O-OH 3.29Å; I531-Y537 CarbonylContact O-C 3.37Å; I531-Y537 WeakPolarHBondContact O-CA 3.24Å; Y532-Y537 HydrophobicContact CD1-CD2 4.5Å; Y532-Y537 HydrophobicContact CD2-CD2 4.08Å; Y532-Y537 HydrophobicContact CE1-CD2 4.06Å; Y532-Y537 HydrophobicContact CE1-CG 4.29Å; Y532-Y537 AromaticContact CE2-CD2 3.59Å; Y532-Y537 HydrophobicContact CE2-CD2 3.59Å; Y532-Y537 HydrophobicContact CE2-CE2 4.16Å; Y532-Y537 AromaticContact CZ-CD2 3.58Å; Y537-P539 HydrophobicContact CE1-CB 3.85Å
538	I	93.6	Very high	93.1	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.8	174.6	-56.3	170.6	0	0	0	108.2	T188 P190 L192 I531 I533 E540	T188-I538 HydrophobicContact CG2-CG2 3.79Å; P190-I538 HydrophobicContact CG-CD1 4Å; L192-I538 HydrophobicContact CD1-CD1 4.43Å; L192-I538 HydrophobicContact CD1-CG2 3.87Å; L192-I538 HydrophobicContact CD2-CD1 3.87Å; L192-I538 HydrophobicContact CG-CD1 4.09Å; I531-I538 HydrophobicContact CB-CB 4.41Å; I531-I538 PolarHBondContact N-O 2.94Å; I531-I538 PolarHBondContact O-N 3.04Å; I533-I538 HydrophobicContact CB-CD1 4.46Å; I533-I538 HydrophobicContact CD1-CD1 3.97Å; I533-I538 HydrophobicContact CG1-CD1 4.14Å; I538-E540 HydrophobicContact CG2-CB 4.44Å; I538-E540 PolarHBondContact O-N 3.27Å
539	P	91.1	Very high	93	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.104	21%	0.205	C	C	.	.			trans	-81.1	51.3	-176.7	35.5	-37.6	0	0	0	112.3	V235 Y537 R541	V235-P539 HydrophobicContact CB-CB 4.11Å; V235-P539 HydrophobicContact CB-CG 4.07Å; V235-P539 HydrophobicContact CG1-CB 3.8Å; V235-P539 HydrophobicContact CG1-CG 4.13Å; V235-P539 HydrophobicContact CG2-CB 4.39Å; V235-P539 WeakPolarHBondContact CG2-O 3.16Å; Y537-P539 HydrophobicContact CE1-CB 3.85Å; P539-R541 PolarHBondContact O-N 2.72Å
540	E	93.7	Very high	93	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.194	C	C	.	.			trans	-68.5	125.3	174.8	178	50.6	-99.6	0	0	109.7	L192 L196 N197 F198 F199 I531 I538 L542 T543	L192-E540 HydrophobicContact CD1-CB 4.02Å; L192-E540 HydrophobicContact CD1-CG 4.22Å; L196-E540 HydrophobicContact CB-CG 4.14Å; L196-E540 HydrophobicContact CD2-CG 4.03Å; N197-E540 VanDerWaalsContact CA-OE2 3.23Å; N197-E540 WeakPolarHBondContact CA-OE2 3.34Å; N197-E540 PolarHBondContact N-OE2 3.47Å; F198-E540 PolarHBondContact N-OE2 2.93Å; F199-E540 VanDerWaalsContact CD2-OE1 3.3Å; F199-E540 WeakPolarHBondContact CD2-OE1 3.4Å; F199-E540 PolarHBondContact N-OE2 3.14Å; I531-E540 HydrophobicContact CD1-CB 3.84Å; I531-E540 HydrophobicContact CD1-CG 4.11Å; I531-E540 HydrophobicContact CG1-CB 4.29Å; I538-E540 HydrophobicContact CG2-CB 4.44Å; I538-E540 PolarHBondContact O-N 3.27Å; E540-L542 HydrophobicContact CG-CB 4.41Å; E540-L542 VanDerWaalsContact OE1-CB 3.26Å; E540-L542 WeakPolarHBondContact OE1-CB 3.05Å; E540-L542 PolarHBondContact OE1-N 3.07Å; E540-T543 HydrophobicContact CB-CG2 4.44Å; E540-T543 HydrophobicContact CG-CG2 4.24Å; E540-T543 PolarHBondContact O-OG1 3.29Å
541	R	93	Very high	93	Very high	43 Å²	43	35.9 Å²	35.9	16%	0.162	19%	0.194	C	C	.	.	S	Bend	trans	-100.4	-13.5	-173.8	-54.5	-63.4	-170.7	-163.2	4	113	F199 V235 F529 P539 T543 Y544	F199-R541 HydrophobicContact CD1-CB 4.06Å; F199-R541 HydrophobicContact CD1-CG 3.92Å; F199-R541 HydrophobicContact CD2-CB 3.68Å; F199-R541 HydrophobicContact CD2-CG 4.28Å; F199-R541 HydrophobicContact CE1-CB 4.04Å; F199-R541 HydrophobicContact CE1-CG 4.2Å; F199-R541 HydrophobicContact CE2-CB 3.64Å; F199-R541 HydrophobicContact CG-CB 3.9Å; F199-R541 HydrophobicContact CG-CG 3.97Å; F199-R541 HydrophobicContact CZ-CB 3.83Å; F199-R541 HydrophobicContact CZ-CG 4.49Å; V235-R541 HydrophobicContact CG2-CG 3.56Å; F529-R541 PolarHBondContact O-NH1 2.9Å; P539-R541 PolarHBondContact O-N 2.72Å; R541-T543 PolarHBondContact O-N 3.32Å; R541-T543 VanDerWaalsContact O-N 3.17Å; R541-Y544 HydrophobicContact CB-CD2 4.47Å; R541-Y544 WeakPolarHBondContact O-CB 3.31Å; R541-Y544 PolarHBondContact O-N 3.18Å
542	L	92.2	Very high	93	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.147	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-17.7	170.3	-155	72.5	0	0	0	112	P195 L196 E540 Y544 L545 L546	P195-L542 HydrophobicContact CB-CD2 4.19Å; P195-L542 WeakPolarHBondContact O-CD2 3.38Å; L196-L542 HydrophobicContact CD2-CB 4.09Å; L196-L542 HydrophobicContact CD2-CD2 4.45Å; E540-L542 HydrophobicContact CG-CB 4.41Å; E540-L542 VanDerWaalsContact OE1-CB 3.26Å; E540-L542 WeakPolarHBondContact OE1-CB 3.05Å; E540-L542 PolarHBondContact OE1-N 3.07Å; L542-Y544 PolarHBondContact O-N 2.97Å; L542-L545 HydrophobicContact CD1-CB 4.12Å; L542-L545 HydrophobicContact CD1-CD2 3.56Å; L542-L545 HydrophobicContact CD1-CG 4.47Å; L542-L545 HydrophobicContact CG-CB 4.46Å; L542-L545 HydrophobicContact CG-CD2 4.42Å; L542-L545 WeakPolarHBondContact O-CB 3.29Å; L542-L545 PolarHBondContact O-N 3.24Å; L542-L545 VanDerWaalsContact O-N 3.11Å; L542-L546 PolarHBondContact O-N 3.42Å
543	T	95.1	Very high	92.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.8	-34.6	169.5	60.4	0	0	0	0	112.6	L196 V526 F527 S528 G530 I531 E540 R541 A547	L196-T543 HydrophobicContact CD2-CG2 4.11Å; V526-T543 HydrophobicContact CG1-CG2 3.73Å; F527-T543 WeakPolarHBondContact O-CB 3.34Å; F527-T543 PolarHBondContact O-OG1 2.93Å; S528-T543 CarbonylContact O-C 3.58Å; S528-T543 WeakPolarHBondContact O-CB 3.13Å; S528-T543 PolarHBondContact O-OG1 3.06Å; G530-T543 PolarHBondContact N-OG1 3.23Å; I531-T543 HydrophobicContact CD1-CG2 4.11Å; I531-T543 HydrophobicContact CG1-CG2 3.84Å; E540-T543 HydrophobicContact CB-CG2 4.44Å; E540-T543 HydrophobicContact CG-CG2 4.24Å; E540-T543 PolarHBondContact O-OG1 3.29Å; R541-T543 PolarHBondContact O-N 3.32Å; R541-T543 VanDerWaalsContact O-N 3.17Å; T543-A547 WeakPolarHBondContact O-CB 3.49Å; T543-A547 PolarHBondContact O-N 3Å
544	Y	95.2	Very high	92.9	Very high	14 Å²	14	36.6 Å²	36.6	6%	0.055	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-42.3	173.2	-76.1	-68.3	0	0	0	110.8	Y453 Y454 S528 F529 R541 L542 A547 E548	Y453-Y544 AromaticContact CD1-CD1 3.4Å; Y453-Y544 HydrophobicContact CD1-CD1 3.4Å; Y453-Y544 VanDerWaalsContact CD1-CD1 3.4Å; Y453-Y544 AromaticContact CD1-CE1 3.68Å; Y453-Y544 HydrophobicContact CD1-CE1 3.68Å; Y453-Y544 HydrophobicContact CE1-CD1 4.02Å; Y453-Y544 HydrophobicContact CE1-CE1 4.08Å; Y453-Y544 AromaticContact CG-CD1 3.68Å; Y453-Y544 HydrophobicContact CG-CD1 3.68Å; Y453-Y544 HydrophobicContact CG-CE1 4.4Å; Y454-Y544 AromaticContact CE2-CE1 3.77Å; Y454-Y544 HydrophobicContact CE2-CE1 3.77Å; Y454-Y544 AromaticContact CZ-CE1 3.8Å; Y454-Y544 PolarHBondContact OH-OH 3.35Å; Y454-Y544 VanDerWaalsContact OH-OH 3.1Å; S528-Y544 VanDerWaalsContact O-CD1 3.26Å; S528-Y544 WeakPolarHBondContact O-CD1 3.36Å; S528-Y544 VanDerWaalsContact O-CG 3.3Å; S528-Y544 PolarHBondContact O-N 3Å; F529-Y544 HydrophobicContact CB-CE1 4.27Å; F529-Y544 VanDerWaalsContact CB-OH 3.27Å; F529-Y544 WeakPolarHBondContact CB-OH 3.44Å; R541-Y544 HydrophobicContact CB-CD2 4.47Å; R541-Y544 WeakPolarHBondContact O-CB 3.31Å; R541-Y544 PolarHBondContact O-N 3.18Å; L542-Y544 PolarHBondContact O-N 2.97Å; Y544-A547 CarbonylContact O-C 3.48Å; Y544-A547 PolarHBondContact O-N 3.02Å; Y544-E548 WeakPolarHBondContact O-CB 3.29Å; Y544-E548 PolarHBondContact O-N 3.38Å
545	L	92.3	Very high	93.2	Very high	73 Å²	73	31.9 Å²	31.9	38%	0.382	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-44	177.7	-177.4	64.7	0	0	0	111.5	I449 L542 A547 E548 V549	I449-L545 HydrophobicContact CG2-CB 4.24Å; L542-L545 HydrophobicContact CD1-CB 4.12Å; L542-L545 HydrophobicContact CD1-CD2 3.56Å; L542-L545 HydrophobicContact CD1-CG 4.47Å; L542-L545 HydrophobicContact CG-CB 4.46Å; L542-L545 HydrophobicContact CG-CD2 4.42Å; L542-L545 WeakPolarHBondContact O-CB 3.29Å; L542-L545 PolarHBondContact O-N 3.24Å; L542-L545 VanDerWaalsContact O-N 3.11Å; L545-A547 VanDerWaalsContact C-N 3.33Å; L545-A547 PolarHBondContact O-N 2.8Å; L545-E548 PolarHBondContact O-N 3.16Å; L545-V549 HydrophobicContact CD1-CG2 4.44Å; L545-V549 WeakPolarHBondContact O-CG2 3.48Å; L545-V549 PolarHBondContact O-N 3.28Å
546	L	91.9	Very high	93.5	Very high	15 Å²	15	33.6 Å²	33.6	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-46.7	174.9	-67.7	-179.5	0	0	0	111.2	L196 L542 E548 Q550 F626 F630	L196-L546 HydrophobicContact CD1-CD1 4.43Å; L196-L546 HydrophobicContact CD2-CD1 3.7Å; L196-L546 HydrophobicContact CG-CD1 4.33Å; L542-L546 PolarHBondContact O-N 3.42Å; L546-E548 VanDerWaalsContact C-N 3.31Å; L546-E548 PolarHBondContact O-N 2.98Å; L546-Q550 PolarHBondContact O-N 3.48Å; L546-F626 HydrophobicContact CB-CZ 4.3Å; L546-F626 HydrophobicContact CD2-CE2 4.39Å; L546-F626 HydrophobicContact CD2-CZ 3.75Å; L546-F630 HydrophobicContact CD2-CB 4.32Å; L546-F630 HydrophobicContact CD2-CD1 4.06Å; L546-F630 HydrophobicContact CD2-CG 4.13Å
547	A	94.5	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.3	-34	177.4	0	0	0	0	0	112.5	Y453 L513 T543 Y544 L545 L551	Y453-A547 HydrophobicContact CD2-CB 4Å; Y453-A547 HydrophobicContact CE2-CB 3.52Å; L513-A547 HydrophobicContact CD1-CB 4.12Å; L513-A547 HydrophobicContact CD2-CB 4.27Å; T543-A547 WeakPolarHBondContact O-CB 3.49Å; T543-A547 PolarHBondContact O-N 3Å; Y544-A547 CarbonylContact O-C 3.48Å; Y544-A547 PolarHBondContact O-N 3.02Å; L545-A547 VanDerWaalsContact C-N 3.33Å; L545-A547 PolarHBondContact O-N 2.8Å; A547-L551 WeakPolarHBondContact O-CB 3.31Å; A547-L551 PolarHBondContact O-N 2.88Å
548	E	94	Very high	93.8	Very high	36 Å²	36	26.1 Å²	26.1	17%	0.168	15%	0.145	C	C	.	.	H	α-helix	trans	-71	-45.5	179.8	-173.7	174.6	-170	0	0	111.6	Y453 L456 Y544 L545 L546 Q550 L551 L552	Y453-E548 HydrophobicContact CD2-CB 4.19Å; L456-E548 HydrophobicContact CD2-CG 3.83Å; Y544-E548 WeakPolarHBondContact O-CB 3.29Å; Y544-E548 PolarHBondContact O-N 3.38Å; L545-E548 PolarHBondContact O-N 3.16Å; L546-E548 VanDerWaalsContact C-N 3.31Å; L546-E548 PolarHBondContact O-N 2.98Å; E548-Q550 VanDerWaalsContact C-N 3.29Å; E548-Q550 PolarHBondContact O-N 3.49Å; E548-L551 CarbonylContact O-C 3.56Å; E548-L551 PolarHBondContact O-N 3.04Å; E548-L552 VanDerWaalsContact O-CB 3.27Å; E548-L552 WeakPolarHBondContact O-CB 3.42Å; E548-L552 PolarHBondContact O-N 2.83Å
549	V	92.3	Very high	93.8	Very high	70 Å²	70	29.6 Å²	29.6	42%	0.424	16%	0.163	S	C	.	.	H	α-helix	trans	-58.4	-44.7	175.7	171	0	0	0	0	110.7	L545 L552 G553 F626	L545-V549 HydrophobicContact CD1-CG2 4.44Å; L545-V549 WeakPolarHBondContact O-CG2 3.48Å; L545-V549 PolarHBondContact O-N 3.28Å; V549-L552 PolarHBondContact O-N 3.46Å; V549-G553 PolarHBondContact O-N 2.93Å; V549-F626 HydrophobicContact CB-CE2 4.16Å; V549-F626 HydrophobicContact CB-CZ 4.47Å; V549-F626 HydrophobicContact CG1-CD2 4.15Å; V549-F626 HydrophobicContact CG1-CE2 3.72Å; V549-F626 HydrophobicContact CG1-CZ 4.42Å
550	Q	92.3	Very high	93.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-45.8	176.3	-176.1	-158.1	-32.4	0	0	111.8	Q508 L546 E548 G553 F554 G645 L646 P649	Q508-Q550 VanDerWaalsContact NE2-OE1 3.12Å; Q508-Q550 VanDerWaalsContact OE1-NE2 3.16Å; L546-Q550 PolarHBondContact O-N 3.48Å; E548-Q550 VanDerWaalsContact C-N 3.29Å; E548-Q550 PolarHBondContact O-N 3.49Å; Q550-G553 PolarHBondContact O-N 3.43Å; Q550-F554 PolarHBondContact O-N 2.87Å; Q550-G645 PolarHBondContact NE2-O 3.29Å; Q550-L646 HydrophobicContact CG-CD2 4.41Å; Q550-P649 HydrophobicContact CG-CG 4.17Å
551	L	93.9	Very high	93.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-68.2	-37.2	-179.2	-176.1	61.4	0	0	0	112.1	Y453 L456 W457 I460 F504 M505 A547 E548 F554 G555	Y453-L551 HydrophobicContact CD2-CD2 4.39Å; Y453-L551 HydrophobicContact CE2-CD2 4.1Å; L456-L551 HydrophobicContact CB-CD2 4.35Å; L456-L551 HydrophobicContact CD2-CB 4.1Å; L456-L551 HydrophobicContact CD2-CD2 4.08Å; L456-L551 HydrophobicContact CD2-CG 3.97Å; L456-L551 HydrophobicContact CG-CD2 3.97Å; L456-L551 HydrophobicContact CG-CG 4.07Å; W457-L551 HydrophobicContact CB-CD2 3.86Å; W457-L551 HydrophobicContact CG-CD2 4.48Å; I460-L551 HydrophobicContact CD1-CD1 3.63Å; I460-L551 HydrophobicContact CD1-CD2 4.47Å; I460-L551 HydrophobicContact CD1-CG 3.67Å; I460-L551 WeakPolarHBondContact CD1-O 3.43Å; F504-L551 HydrophobicContact CE1-CD1 4.48Å; M505-L551 HydrophobicContact CE-CD1 4.43Å; M505-L551 HydrophobicContact SD-CD1 4.04Å; A547-L551 WeakPolarHBondContact O-CB 3.31Å; A547-L551 PolarHBondContact O-N 2.88Å; E548-L551 CarbonylContact O-C 3.56Å; E548-L551 PolarHBondContact O-N 3.04Å; L551-F554 PolarHBondContact O-N 3.19Å; L551-G555 PolarHBondContact O-N 3.28Å
552	L	94.6	Very high	93.7	Very high	91 Å²	91	29.8 Å²	29.8	48%	0.476	16%	0.163	S	C	.	.	H	α-helix	trans	-64.1	-47.5	174.3	-178.5	66.9	0	0	0	110.3	L456 E548 V549 F554 G555 L556	L456-L552 HydrophobicContact CD1-CD1 4.42Å; L456-L552 HydrophobicContact CD2-CB 3.97Å; L456-L552 HydrophobicContact CD2-CD1 4.49Å; E548-L552 VanDerWaalsContact O-CB 3.27Å; E548-L552 WeakPolarHBondContact O-CB 3.42Å; E548-L552 PolarHBondContact O-N 2.83Å; V549-L552 PolarHBondContact O-N 3.46Å; L552-F554 VanDerWaalsContact C-N 3.29Å; L552-F554 PolarHBondContact O-N 3.28Å; L552-G555 PolarHBondContact O-N 3.08Å; L552-G555 VanDerWaalsContact O-N 3.16Å; L552-L556 WeakPolarHBondContact O-CG 3.37Å; L552-L556 PolarHBondContact O-N 3.36Å
553	G	93.9	Very high	93.7	Very high	22 Å²	22	32.9 Å²	32.9	23%	0.227	17%	0.173	C	C	.	.	H	α-helix	trans	-56.8	-44.1	174.4	0	0	0	0	0	111.9	V549 Q550 L556 Y557 Y619	V549-G553 PolarHBondContact O-N 2.93Å; Q550-G553 PolarHBondContact O-N 3.43Å; G553-L556 PolarHBondContact O-N 2.86Å; G553-Y557 PolarHBondContact O-N 3.38Å; G553-Y557 VanDerWaalsContact O-N 3.08Å; G553-Y619 WeakPolarHBondContact O-CE2 3.39Å
554	F	95.4	Very high	93.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-41	175.8	-177.4	-101.1	0	0	0	112.3	I501 F504 Q550 L551 L552 L556 Y557 L558 Y619 P649 V652 L656	I501-F554 HydrophobicContact CG1-CZ 4.34Å; I501-F554 HydrophobicContact CG2-CE1 4.23Å; I501-F554 HydrophobicContact CG2-CZ 4.37Å; F504-F554 AromaticContact CD1-CD1 3.94Å; F504-F554 HydrophobicContact CD1-CD1 3.94Å; F504-F554 HydrophobicContact CD1-CD2 4.39Å; F504-F554 AromaticContact CD1-CE1 3.74Å; F504-F554 HydrophobicContact CD1-CE1 3.74Å; F504-F554 HydrophobicContact CD1-CE2 4.22Å; F504-F554 HydrophobicContact CD1-CG 4.25Å; F504-F554 AromaticContact CD1-CZ 3.88Å; F504-F554 HydrophobicContact CD1-CZ 3.88Å; F504-F554 HydrophobicContact CE1-CB 4.17Å; F504-F554 AromaticContact CE1-CD1 3.54Å; F504-F554 HydrophobicContact CE1-CD1 3.54Å; F504-F554 HydrophobicContact CE1-CD2 4.07Å; F504-F554 AromaticContact CE1-CE1 3.86Å; F504-F554 HydrophobicContact CE1-CE1 3.86Å; F504-F554 HydrophobicContact CE1-CE2 4.35Å; F504-F554 AromaticContact CE1-CG 3.64Å; F504-F554 HydrophobicContact CE1-CG 3.64Å; F504-F554 HydrophobicContact CE1-CZ 4.25Å; Q550-F554 PolarHBondContact O-N 2.87Å; L551-F554 PolarHBondContact O-N 3.19Å; L552-F554 VanDerWaalsContact C-N 3.29Å; L552-F554 PolarHBondContact O-N 3.28Å; F554-L556 VanDerWaalsContact C-N 3.34Å; F554-L556 PolarHBondContact O-N 3.22Å; F554-Y557 PolarHBondContact O-N 3.17Å; F554-L558 HydrophobicContact CE1-CD2 4.25Å; F554-L558 VanDerWaalsContact O-CB 3.31Å; F554-L558 WeakPolarHBondContact O-CB 3.4Å; F554-L558 PolarHBondContact O-N 3.1Å; F554-Y619 HydrophobicContact CB-CE2 4.42Å; F554-P649 HydrophobicContact CD2-CB 4.44Å; F554-V652 HydrophobicContact CE2-CB 4.33Å; F554-V652 HydrophobicContact CE2-CG1 3.77Å; F554-V652 HydrophobicContact CZ-CG1 3.86Å; F554-L656 HydrophobicContact CZ-CD1 4.48Å
555	G	94.6	Very high	93	Very high	16 Å²	16	33 Å²	33	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	-59.8	-42.6	176.4	0	0	0	0	0	112.5	L551 L552 L558 L559	L551-G555 PolarHBondContact O-N 3.28Å; L552-G555 PolarHBondContact O-N 3.08Å; L552-G555 VanDerWaalsContact O-N 3.16Å; G555-L558 PolarHBondContact O-N 3.34Å; G555-L559 WeakPolarHBondContact O-CB 3.41Å; G555-L559 PolarHBondContact O-N 3.13Å
556	L	94.6	Very high	92.8	Very high	110 Å²	110	29.6 Å²	29.6	58%	0.576	16%	0.157	S	C	*	.	H	α-helix	trans	-64.8	-44.5	175	-68.9	173.8	0	0	0	111.9	L552 G553 F554 L558 L559 F560	L552-L556 WeakPolarHBondContact O-CG 3.37Å; L552-L556 PolarHBondContact O-N 3.36Å; G553-L556 PolarHBondContact O-N 2.86Å; F554-L556 VanDerWaalsContact C-N 3.34Å; F554-L556 PolarHBondContact O-N 3.22Å; L556-L558 PolarHBondContact O-N 2.91Å; L556-L559 PolarHBondContact O-N 3.1Å; L556-F560 PolarHBondContact O-N 3.34Å
557	Y	95.7	Very high	92.4	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.02	17%	0.166	C	C	.	.	H	α-helix	trans	-58.5	-47.9	174.1	173.8	-96	0	0	0	111.5	G553 F554 L559 F560 L561 I615 T616 Y619 A653 L656	G553-Y557 PolarHBondContact O-N 3.38Å; G553-Y557 VanDerWaalsContact O-N 3.08Å; F554-Y557 PolarHBondContact O-N 3.17Å; Y557-L559 VanDerWaalsContact C-N 3.34Å; Y557-L559 PolarHBondContact O-N 2.96Å; Y557-F560 PolarHBondContact O-N 3.45Å; Y557-L561 PolarHBondContact O-N 2.84Å; Y557-I615 HydrophobicContact CD2-CG2 3.96Å; Y557-I615 HydrophobicContact CE2-CG2 4.24Å; Y557-T616 HydrophobicContact CE2-CG2 4.41Å; Y557-T616 WeakPolarHBondContact CE2-OG1 3.35Å; Y557-T616 PolarHBondContact OH-OG1 2.92Å; Y557-T616 VanDerWaalsContact OH-OG1 3.05Å; Y557-Y619 HydrophobicContact CD2-CD1 4.35Å; Y557-Y619 AromaticContact CD2-CG 3.99Å; Y557-Y619 HydrophobicContact CD2-CG 3.99Å; Y557-Y619 HydrophobicContact CG-CD1 4.35Å; Y557-Y619 HydrophobicContact CG-CD2 4.33Å; Y557-Y619 HydrophobicContact CG-CG 4.09Å; Y557-A653 HydrophobicContact CD1-CB 4.13Å; Y557-A653 HydrophobicContact CE1-CB 3.64Å; Y557-A653 HydrophobicContact CE2-CB 4.32Å; Y557-A653 PolarHBondContact OH-O 2.95Å; Y557-L656 HydrophobicContact CE1-CB 4.5Å; Y557-L656 HydrophobicContact CE1-CD1 4.08Å
558	L	94.9	Very high	91.5	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-40.1	179.7	179.4	62.6	0	0	0	111.7	I460 F463 V464 I491 I501 F554 G555 L556 F560 L561 T562	I460-L558 HydrophobicContact CG2-CD2 4.06Å; F463-L558 HydrophobicContact CD1-CD2 4.38Å; F463-L558 HydrophobicContact CE1-CG 4.47Å; V464-L558 HydrophobicContact CG2-CD2 3.58Å; I491-L558 HydrophobicContact CD1-CD1 4.24Å; I501-L558 HydrophobicContact CD1-CD1 3.74Å; I501-L558 HydrophobicContact CG2-CD2 4.49Å; F554-L558 HydrophobicContact CE1-CD2 4.25Å; F554-L558 VanDerWaalsContact O-CB 3.31Å; F554-L558 WeakPolarHBondContact O-CB 3.4Å; F554-L558 PolarHBondContact O-N 3.1Å; G555-L558 PolarHBondContact O-N 3.34Å; L556-L558 PolarHBondContact O-N 2.91Å; L558-F560 VanDerWaalsContact C-N 3.34Å; L558-L561 HydrophobicContact CD1-CD2 4.39Å; L558-L561 PolarHBondContact O-N 3.31Å; L558-T562 VanDerWaalsContact O-CB 3.27Å; L558-T562 WeakPolarHBondContact O-CB 3.01Å; L558-T562 PolarHBondContact O-N 3.12Å; L558-T562 PolarHBondContact O-OG1 3Å
559	L	93.7	Very high	90.2	Very high	77 Å²	77	33.9 Å²	33.9	40%	0.403	17%	0.174	S	C	.	.	H	α-helix	trans	-61.4	-43.9	175.5	-178.1	63	0	0	0	111.2	F463 I484 G555 L556 Y557 T562 Y563	F463-L559 HydrophobicContact CE2-CD1 4.39Å; F463-L559 HydrophobicContact CZ-CD1 4.13Å; I484-L559 HydrophobicContact CD1-CD1 4.26Å; I484-L559 HydrophobicContact CG2-CD1 4.49Å; G555-L559 WeakPolarHBondContact O-CB 3.41Å; G555-L559 PolarHBondContact O-N 3.13Å; L556-L559 PolarHBondContact O-N 3.1Å; Y557-L559 VanDerWaalsContact C-N 3.34Å; Y557-L559 PolarHBondContact O-N 2.96Å; L559-T562 WeakPolarHBondContact O-CB 3.4Å; L559-T562 PolarHBondContact O-N 3.31Å; L559-Y563 WeakPolarHBondContact O-CB 3.35Å; L559-Y563 PolarHBondContact O-N 3Å
560	F	93.2	Very high	88.7	Confident	64 Å²	64	35.2 Å²	35.2	28%	0.281	17%	0.172	S	C	.	.	H	α-helix	trans	-63.5	-48	175.7	-177.9	-89.1	0	0	0	112	L556 Y557 L558 T562 Y563 H564 L612 I615	L556-F560 PolarHBondContact O-N 3.34Å; Y557-F560 PolarHBondContact O-N 3.45Å; L558-F560 VanDerWaalsContact C-N 3.34Å; F560-T562 PolarHBondContact O-N 3.46Å; F560-Y563 PolarHBondContact O-N 3.32Å; F560-H564 HydrophobicContact CE1-CB 4.26Å; F560-H564 WeakPolarHBondContact O-CB 3.41Å; F560-H564 PolarHBondContact O-N 3.1Å; F560-L612 HydrophobicContact CD1-CD1 4.14Å; F560-L612 HydrophobicContact CE1-CD1 4.08Å; F560-I615 HydrophobicContact CB-CG2 4.47Å; F560-I615 HydrophobicContact CD1-CB 4.17Å; F560-I615 HydrophobicContact CD1-CD1 3.52Å; F560-I615 HydrophobicContact CD1-CG1 4.43Å; F560-I615 HydrophobicContact CD1-CG2 3.8Å; F560-I615 HydrophobicContact CD2-CD1 3.53Å; F560-I615 HydrophobicContact CE1-CB 4.25Å; F560-I615 HydrophobicContact CE1-CD1 3.22Å; F560-I615 HydrophobicContact CE1-CG1 4.31Å; F560-I615 HydrophobicContact CE1-CG2 4.38Å; F560-I615 HydrophobicContact CE2-CD1 3.21Å; F560-I615 HydrophobicContact CG-CD1 3.69Å; F560-I615 HydrophobicContact CG-CG2 4.15Å; F560-I615 HydrophobicContact CZ-CD1 3.07Å; F560-I615 HydrophobicContact CZ-CG1 4.46Å
561	L	92.8	Very high	86.7	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-43.4	176.2	175.4	71.9	0	0	0	111.1	I491 Y557 L558 H564 C565 L612 L656 C660	I491-L561 HydrophobicContact CD1-CD2 4.25Å; I491-L561 HydrophobicContact CD1-CG 4.34Å; Y557-L561 PolarHBondContact O-N 2.84Å; L558-L561 HydrophobicContact CD1-CD2 4.39Å; L558-L561 PolarHBondContact O-N 3.31Å; L561-H564 WeakPolarHBondContact O-CB 3.1Å; L561-H564 PolarHBondContact O-N 2.94Å; L561-C565 WeakPolarHBondContact O-CB 3.42Å; L561-C565 PolarHBondContact O-N 2.86Å; L561-C565 PolarHBondContact O-SG 3.19Å; L561-L612 HydrophobicContact CB-CD1 4.5Å; L561-L612 HydrophobicContact CD1-CD1 3.7Å; L561-L612 HydrophobicContact CD1-CD2 3.83Å; L561-L612 HydrophobicContact CD1-CG 4.4Å; L561-L656 HydrophobicContact CD2-CB 3.72Å; L561-L656 HydrophobicContact CD2-CD1 3.79Å; L561-L656 HydrophobicContact CD2-CD2 4.12Å; L561-L656 HydrophobicContact CD2-CG 4.08Å; L561-C660 HydrophobicContact CD1-CB 4.5Å
562	T	91.5	Very high	84.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-51.1	177.9	-58.9	0	0	0	0	110.6	F463 I484 G487 M488 I491 L558 L559 F560 H564 C565 G566	F463-T562 HydrophobicContact CE1-CG2 4.16Å; F463-T562 HydrophobicContact CZ-CG2 3.82Å; I484-T562 HydrophobicContact CG2-CG2 4.21Å; I484-T562 VanDerWaalsContact O-CG2 3.25Å; I484-T562 WeakPolarHBondContact O-CG2 3.49Å; G487-T562 VanDerWaalsContact CA-O 3.24Å; G487-T562 WeakPolarHBondContact CA-O 3.46Å; M488-T562 HydrophobicContact CB-CG2 4.36Å; M488-T562 HydrophobicContact CG-CG2 3.64Å; M488-T562 VanDerWaalsContact N-CG2 3.32Å; I491-T562 HydrophobicContact CD1-CG2 4.34Å; I491-T562 VanDerWaalsContact CD1-OG1 3.26Å; I491-T562 WeakPolarHBondContact CD1-OG1 3.49Å; L558-T562 VanDerWaalsContact O-CB 3.27Å; L558-T562 WeakPolarHBondContact O-CB 3.01Å; L558-T562 PolarHBondContact O-N 3.12Å; L558-T562 PolarHBondContact O-OG1 3Å; L559-T562 WeakPolarHBondContact O-CB 3.4Å; L559-T562 PolarHBondContact O-N 3.31Å; F560-T562 PolarHBondContact O-N 3.46Å; T562-H564 VanDerWaalsContact C-N 3.3Å; T562-H564 PolarHBondContact O-N 3.29Å; T562-C565 WeakPolarHBondContact O-CB 3.33Å; T562-C565 PolarHBondContact O-N 2.85Å; T562-G566 PolarHBondContact O-N 3.39Å
563	Y	91.3	Very high	82.4	Confident	92 Å²	92	41.9 Å²	41.9	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-57	-44.8	176	179.2	-87.6	0	0	0	111.9	R483 I484 L559 F560 G566 H567	R483-Y563 HydrophobicContact CB-CD2 4.13Å; R483-Y563 HydrophobicContact CB-CE2 4.16Å; R483-Y563 PolarHBondContact NH1-OH 3.33Å; I484-Y563 HydrophobicContact CG1-CD2 4.37Å; L559-Y563 WeakPolarHBondContact O-CB 3.35Å; L559-Y563 PolarHBondContact O-N 3Å; F560-Y563 PolarHBondContact O-N 3.32Å; Y563-G566 PolarHBondContact O-N 3.33Å; Y563-H567 WeakPolarHBondContact O-CB 3.31Å; Y563-H567 PolarHBondContact O-N 3.47Å
564	H	89.3	Confident	79.8	Confident	16 Å²	16	48.7 Å²	48.7	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-60.2	-46.9	177.9	-176.1	76	0	0	0	112	F560 L561 T562 G566 H567 R568 S609	F560-H564 HydrophobicContact CE1-CB 4.26Å; F560-H564 WeakPolarHBondContact O-CB 3.41Å; F560-H564 PolarHBondContact O-N 3.1Å; L561-H564 WeakPolarHBondContact O-CB 3.1Å; L561-H564 PolarHBondContact O-N 2.94Å; T562-H564 VanDerWaalsContact C-N 3.3Å; T562-H564 PolarHBondContact O-N 3.29Å; H564-G566 PolarHBondContact O-N 2.87Å; H564-H567 PolarHBondContact O-N 3.09Å; H564-R568 WeakPolarHBondContact NE2-CD 3.23Å; H564-R568 PolarHBondContact NE2-NE 3.44Å; H564-R568 PolarHBondContact O-N 3.41Å; H564-R568 VanDerWaalsContact O-N 3.09Å; H564-S609 PolarHBondContact CE1-OG 2.97Å
565	C	87.2	Confident	77.2	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.014	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-46.5	177	-75.5	0	0	0	0	111.9	L490 L561 T562 R568 Q569	L490-C565 HydrophobicContact CD2-CB 3.82Å; L561-C565 WeakPolarHBondContact O-CB 3.42Å; L561-C565 PolarHBondContact O-N 2.86Å; L561-C565 PolarHBondContact O-SG 3.19Å; T562-C565 WeakPolarHBondContact O-CB 3.33Å; T562-C565 PolarHBondContact O-N 2.85Å; C565-R568 PolarHBondContact O-N 3.49Å; C565-Q569 PolarHBondContact O-N 3.08Å
566	G	86.5	Confident	74.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-76.1	-28.1	-178.7	0	0	0	0	0	114.5	R483 T562 Y563 H564	R483-G566 VanDerWaalsContact O-CA 3.31Å; R483-G566 WeakPolarHBondContact O-CA 3.37Å; T562-G566 PolarHBondContact O-N 3.39Å; Y563-G566 PolarHBondContact O-N 3.33Å; H564-G566 PolarHBondContact O-N 2.87Å
567	H	83.5	Confident	71.6	Confident	59 Å²	59	62.7 Å²	62.7	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-63.8	-44.8	169.9	-175.7	22.3	0	0	0	110.9	Y563 H564 Q569 Y570 D571	Y563-H567 WeakPolarHBondContact O-CB 3.31Å; Y563-H567 PolarHBondContact O-N 3.47Å; H564-H567 PolarHBondContact O-N 3.09Å; H567-Q569 VanDerWaalsContact C-N 3.34Å; H567-Q569 PolarHBondContact O-N 3.26Å; H567-Y570 VanDerWaalsContact O-CB 3.23Å; H567-Y570 WeakPolarHBondContact O-CB 3.43Å; H567-Y570 PolarHBondContact O-N 3.25Å; H567-D571 IonicContact CE1-OD1 3.6Å; H567-D571 IonicContact CE1-OD2 3.65Å; H567-D571 IonicContact ND1-OD1 3.46Å; H567-D571 IonicContact ND1-OD2 3.95Å; H567-D571 PolarHBondContact O-N 2.94Å
568	R	75.8	Confident	68.5	Low	64 Å²	64	70.5 Å²	70.5	24%	0.242	35%	0.349	C	S	.	.	H	α-helix	trans	-64.8	-33.4	179.3	-78.3	-170.4	155.6	-174.4	-4.3	114.2	H564 C565 Y570 D571 S572	H564-R568 WeakPolarHBondContact NE2-CD 3.23Å; H564-R568 PolarHBondContact NE2-NE 3.44Å; H564-R568 PolarHBondContact O-N 3.41Å; H564-R568 VanDerWaalsContact O-N 3.09Å; C565-R568 PolarHBondContact O-N 3.49Å; R568-Y570 PolarHBondContact O-N 2.9Å; R568-D571 PolarHBondContact O-N 3.23Å; R568-S572 PolarHBondContact O-N 3.45Å
569	Q	67.5	Low	65.5	Low	18 Å²	18	74 Å²	74	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-62.9	-31.3	172.6	-78.5	-173.6	-35.9	0	0	112.5	R486 L490 C565 H567 S572 I573 V666	R486-Q569 PolarHBondContact O-OE1 3.23Å; L490-Q569 HydrophobicContact CD2-CG 4.16Å; C565-Q569 PolarHBondContact O-N 3.08Å; H567-Q569 VanDerWaalsContact C-N 3.34Å; H567-Q569 PolarHBondContact O-N 3.26Å; Q569-S572 PolarHBondContact O-OG 3.42Å; Q569-I573 VanDerWaalsContact O-CD1 3.31Å; Q569-I573 WeakPolarHBondContact O-CD1 3.42Å; Q569-I573 WeakPolarHBondContact O-CG1 3.3Å; Q569-V666 HydrophobicContact CG-CG1 4.41Å
570	Y	59.6	Low	62.5	Low	99 Å²	99	79.5 Å²	79.5	39%	0.388	41%	0.409	S	S	.	.	H	α-helix	trans	-66.9	-46.9	177.3	-167.8	-110.3	0	0	0	111.9	R486 H567 R568 S572 I573 Y574	R486-Y570 VanDerWaalsContact NH1-CB 3.27Å; H567-Y570 VanDerWaalsContact O-CB 3.23Å; H567-Y570 WeakPolarHBondContact O-CB 3.43Å; H567-Y570 PolarHBondContact O-N 3.25Å; R568-Y570 PolarHBondContact O-N 2.9Å; Y570-S572 PolarHBondContact O-N 2.9Å; Y570-I573 PolarHBondContact O-N 3.37Å; Y570-Y574 HydrophobicContact CE2-CD2 4.03Å; Y570-Y574 HydrophobicContact CE2-CE2 4.09Å
571	D	52.1	Low	59.4	Low	86 Å²	86	81.7 Å²	81.7	46%	0.46	44%	0.44	S	S	.	.	H	α-helix	trans	-67.2	-26.3	-174.4	-59.2	-19.9	0	0	0	111.9	H567 R568 I573 P575	H567-D571 IonicContact CE1-OD1 3.6Å; H567-D571 IonicContact CE1-OD2 3.65Å; H567-D571 IonicContact ND1-OD1 3.46Å; H567-D571 IonicContact ND1-OD2 3.95Å; H567-D571 PolarHBondContact O-N 2.94Å; R568-D571 PolarHBondContact O-N 3.23Å; D571-I573 VanDerWaalsContact C-N 3.29Å; D571-I573 PolarHBondContact O-N 3.44Å; D571-P575 WeakPolarHBondContact O-CD 3.33Å
572	S	50.6	Low	56.5	Low	50 Å²	50	87 Å²	87	35%	0.35	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-16	173.1	57.9	0	0	0	0	114.7	R568 Q569 Y570 V666	R568-S572 PolarHBondContact O-N 3.45Å; Q569-S572 PolarHBondContact O-OG 3.42Å; Y570-S572 PolarHBondContact O-N 2.9Å; S572-V666 WeakPolarHBondContact OG-CG1 3.47Å
573	I	47.1	Very low	53.5	Low	96 Å²	96	95.7 Å²	95.7	49%	0.492	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-17.4	-175.9	-64.7	167.9	0	0	0	111.8	Q569 Y570 D571 I670	Q569-I573 VanDerWaalsContact O-CD1 3.31Å; Q569-I573 WeakPolarHBondContact O-CD1 3.42Å; Q569-I573 WeakPolarHBondContact O-CG1 3.3Å; Y570-I573 PolarHBondContact O-N 3.37Å; D571-I573 VanDerWaalsContact C-N 3.29Å; D571-I573 PolarHBondContact O-N 3.44Å; I573-I670 HydrophobicContact CD1-CD1 4.04Å; I573-I670 HydrophobicContact CG1-CD1 4.03Å
574	Y	38.9	Very low	50.5	Low	165 Å²	165	99.5 Å²	99.5	65%	0.647	54%	0.535	S	S	*	.	S	Bend	trans	-117.5	10.1	-164.4	-97.8	-77.7	0	0	0	121.4	Y570	Y570-Y574 HydrophobicContact CE2-CD2 4.03Å; Y570-Y574 HydrophobicContact CE2-CE2 4.09Å
575	P	41.5	Very low	47.7	Very low	98 Å²	98	108.6 Å²	108.6	64%	0.636	57%	0.571	S	S	*	*	S	Bend	trans	-104.2	85.7	166.7	34.6	-22.4	0	0	0	110.2	D571	D571-P575 WeakPolarHBondContact O-CD 3.33Å
576	L	38.2	Very low	44.9	Very low	165 Å²	165	113.4 Å²	113.4	86%	0.864	60%	0.604	S	S	*	*	S	Bend	trans	-161.5	0.8	161.8	-107.7	160.5	0	0	0	116
577	N	31.9	Very low	42	Very low	156 Å²	156	121.4 Å²	121.4	83%	0.834	65%	0.647	S	S	*	*	S	Bend	trans	-110.2	4.8	-177.2	-93.6	10.2	0	0	0	116.6
578	N	31.1	Very low	39.6	Very low	170 Å²	170	123.5 Å²	123.5	91%	0.909	67%	0.668	S	S	*	*	S	Bend	trans	-129.8	98.5	173.1	-70.9	-8.6	0	0	0	109.4
579	G	32.8	Very low	37.4	Very low	76 Å²	76	127.2 Å²	127.2	78%	0.784	70%	0.698	S	S	*	*			trans	159.9	88.6	174	0	0	0	0	0	113.8
580	E	31	Very low	35.4	Very low	192 Å²	192	136.7 Å²	136.7	90%	0.897	73%	0.734	S	S	*	*			trans	6.1	133.5	156.7	-70.1	170.4	153	0	0	120.6	S582	E580-S582 PolarHBondContact O-N 3.24Å
581	A	27.3	Very low	34	Very low	111 Å²	111	141 Å²	141	92%	0.917	76%	0.755	S	S	*	*			trans	-59.7	120	159.1	0	0	0	0	0	110.4
582	S	32.3	Very low	32.8	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	76%	0.764	S	S	*	*			trans	-132.7	107.6	160.8	114.8	0	0	0	0	108.5	E580	E580-S582 PolarHBondContact O-N 3.24Å
583	E	28	Very low	31.8	Very low	183 Å²	183	148.3 Å²	148.3	86%	0.855	79%	0.79	S	S	*	*			trans	-49.5	134.7	158.5	-66.2	172.8	134.7	0	0	110.3
584	K	28.7	Very low	30.9	Very low	172 Å²	172	150.6 Å²	150.6	75%	0.748	80%	0.802	S	S	*	*				168.3	144.3	123.8	-93.6	174.1	179.7	177.2	0	113.3
585	Y	29.9	Very low	30.3	Very low	208 Å²	208	151.2 Å²	151.2	82%	0.816	81%	0.811	S	S	*	*			trans	77.6	137.7	163.7	-62.1	-74.7	0	0	0	117.5
586	S	29.3	Very low	29.9	Very low	102 Å²	102	151.4 Å²	151.4	71%	0.713	81%	0.814	S	S	*	*			cis	179.3	144.4	-25.4	47.4	0	0	0	0	104.7
587	N	25.9	Very low	29.3	Very low	168 Å²	168	151.9 Å²	151.9	90%	0.898	82%	0.818	S	S	*	*			trans	-60.1	131.5	175.9	-68.7	-34.1	0	0	0	113.6
588	S	31.3	Very low	29.2	Very low	104 Å²	104	149.7 Å²	149.7	73%	0.727	81%	0.81	S	S	*	*			trans	-162.4	110.1	138.7	58.7	0	0	0	0	109.6
589	V	29.9	Very low	29	Very low	142 Å²	142	149.4 Å²	149.4	86%	0.861	81%	0.807	S	S	*	*				76.9	112.7	100.6	176.6	0	0	0	0	114.1
590	Y	26.1	Very low	28.7	Very low	217 Å²	217	152.8 Å²	152.8	85%	0.851	80%	0.803	S	S	*	*			trans	-43.2	132.6	162.2	-113.3	-106.3	0	0	0	113.4
591	K	29.7	Very low	28.6	Very low	190 Å²	190	150.5 Å²	150.5	83%	0.826	80%	0.795	S	S	*	*			trans	-165.4	122.7	136.2	-117.1	176.4	179.8	-179.2	0	112
592	D	26.7	Very low	28.6	Very low	120 Å²	120	155.2 Å²	155.2	64%	0.642	79%	0.789	S	S	*	*			trans	16.3	125.6	145.9	-54.3	-37.6	0	0	0	119.2
593	D	30.4	Very low	28.4	Very low	169 Å²	169	157.1 Å²	157.1	90%	0.904	79%	0.79	S	S	*	*				-155.3	112.3	124.1	-101.1	-27.1	0	0	0	111.6
594	I	28.2	Very low	28.7	Very low	144 Å²	144	152.4 Å²	152.4	74%	0.738	78%	0.775	S	S	*	*			trans	-86.2	107.1	164.7	-67.5	165.8	0	0	0	105.8
595	H	27	Very low	29.1	Very low	178 Å²	178	153.6 Å²	153.6	82%	0.824	78%	0.781	S	S	*	*			trans	167.2	108.9	144	-95.4	-58.8	0	0	0	111.4
596	S	31.6	Very low	29.8	Very low	101 Å²	101	149.8 Å²	149.8	71%	0.706	77%	0.773	S	S	*	*				168.3	102.5	128.1	48.7	0	0	0	0	109.9	T598	S596-T598 VanDerWaalsContact C-N 3.33Å; S596-T598 PolarHBondContact O-N 2.93Å
597	N	26.7	Very low	30.6	Very low	176 Å²	176	149.7 Å²	149.7	94%	0.941	77%	0.772	S	S	*	*			trans	-65.5	95.1	159.8	-84.2	-29.5	0	0	0	108.2
598	T	29.8	Very low	32.2	Very low	110 Å²	110	143.9 Å²	143.9	68%	0.675	74%	0.744	S	S	*	*			trans	-123.3	99.5	161.5	-22.1	0	0	0	0	107.7	S596 Q600	S596-T598 VanDerWaalsContact C-N 3.33Å; S596-T598 PolarHBondContact O-N 2.93Å; T598-Q600 PolarHBondContact O-N 3.47Å
599	L	27.4	Very low	34.4	Very low	163 Å²	163	139.3 Å²	139.3	85%	0.853	71%	0.712	S	S	*	*			trans	-68.6	70.2	174.1	-139	118.2	0	0	0	108.5	I601	L599-I601 HydrophobicContact CD2-CG1 4.44Å; L599-I601 PolarHBondContact O-N 3.4Å; L599-I601 VanDerWaalsContact O-N 3.08Å
600	Q	25.8	Very low	36.9	Very low	147 Å²	147	137 Å²	137	69%	0.687	70%	0.7	S	S	*	*			trans	-72.6	98.6	167.2	-105	-171.8	-1.5	0	0	107.3	T598 R602	T598-Q600 PolarHBondContact O-N 3.47Å; Q600-R602 PolarHBondContact O-N 2.65Å
601	I	28.9	Very low	39.8	Very low	145 Å²	145	129.2 Å²	129.2	74%	0.744	68%	0.677	S	S	*	*			trans	-60.8	85.1	157.3	-60.1	173.3	0	0	0	106	L599 L603	L599-I601 HydrophobicContact CD2-CG1 4.44Å; L599-I601 PolarHBondContact O-N 3.4Å; L599-I601 VanDerWaalsContact O-N 3.08Å; I601-L603 VanDerWaalsContact C-N 3.32Å; I601-L603 PolarHBondContact O-N 2.93Å
602	R	27.3	Very low	42.6	Very low	210 Å²	210	120.3 Å²	120.3	79%	0.792	64%	0.639	S	S	*	*			trans	-65.5	99.2	165.8	-81.1	-169.8	-176.7	-166.9	3.4	106.3	Q600 P604	Q600-R602 PolarHBondContact O-N 2.65Å; R602-P604 WeakPolarHBondContact O-CD 3.49Å
603	L	27.8	Very low	45.7	Very low	150 Å²	150	117.7 Å²	117.7	79%	0.785	63%	0.625	S	S	*	*			trans	-43.8	117.3	154.8	-93.9	130.7	0	0	0	106.7	I601 K605	I601-L603 VanDerWaalsContact C-N 3.32Å; I601-L603 PolarHBondContact O-N 2.93Å; L603-K605 PolarHBondContact O-N 3.05Å
604	P	34.8	Very low	48.7	Very low	84 Å²	84	114.4 Å²	114.4	55%	0.545	61%	0.606	S	S	.	*			trans	-67.6	109.3	-172.4	27.3	-32.9	0	0	0	106.6	R602 L606 R662	R602-P604 WeakPolarHBondContact O-CD 3.49Å; P604-L606 PolarHBondContact O-N 3.36Å; P604-R662 PolarHBondContact O-NH1 2.92Å
605	K	36.4	Very low	51.8	Low	198 Å²	198	109.7 Å²	109.7	86%	0.861	58%	0.582	S	S	*	*			trans	-33.1	115.6	177.2	-81.8	-176.9	173.7	-177.5	0	109	L603 C607 R662	L603-K605 PolarHBondContact O-N 3.05Å; K605-C607 PolarHBondContact O-N 3.37Å; K605-R662 PolarHBondContact O-NH1 2.84Å
606	L	44.6	Very low	55	Low	127 Å²	127	101.5 Å²	101.5	67%	0.665	54%	0.544	S	S	*	.			trans	-60	84.2	176.8	-100.6	87	0	0	0	108.3	P604 S608	P604-L606 PolarHBondContact O-N 3.36Å; L606-S608 PolarHBondContact O-N 3.39Å; L606-S608 VanDerWaalsContact O-N 3.14Å
607	C	47.3	Very low	58.1	Low	101 Å²	101	100.5 Å²	100.5	68%	0.682	53%	0.534	S	S	*	.			trans	-86.8	72.7	164.3	-143.4	0	0	0	0	106.4	K605	K605-C607 PolarHBondContact O-N 3.37Å
608	S	58.3	Low	61.4	Low	46 Å²	46	96.3 Å²	96.3	32%	0.322	51%	0.51	S	S	.	.			trans	-66.4	137.3	177.8	45.6	0	0	0	0	110.1	L606 P610 Y657	L606-S608 PolarHBondContact O-N 3.39Å; L606-S608 VanDerWaalsContact O-N 3.14Å; S608-P610 WeakPolarHBondContact O-CD 3.41Å; S608-Y657 WeakPolarHBondContact CB-OH 2.92Å
609	S	77	Confident	64.5	Low	8 Å²	8	91.8 Å²	91.8	6%	0.056	48%	0.481	C	S	.	.			trans	-63.7	118.7	164.4	174.8	0	0	0	0	108.2	H564 S611 L612 L613	H564-S609 PolarHBondContact CE1-OG 2.97Å; S609-S611 PolarHBondContact O-N 2.85Å; S609-S611 PolarHBondContact OG-OG 2.8Å; S609-L612 PolarHBondContact O-N 2.77Å; S609-L612 PolarHBondContact OG-N 3.23Å; S609-L613 PolarHBondContact O-N 3.46Å
610	P	83.7	Confident	67.7	Low	93 Å²	93	85.3 Å²	85.3	60%	0.604	45%	0.448	S	S	*	.	H	α-helix	trans	-59	-38.8	179.2	-24.5	35.2	0	0	0	111.7	S608 L613 I614	S608-P610 WeakPolarHBondContact O-CD 3.41Å; P610-L613 PolarHBondContact O-N 3.24Å; P610-I614 WeakPolarHBondContact O-CB 3.42Å; P610-I614 WeakPolarHBondContact O-CD1 3.42Å; P610-I614 WeakPolarHBondContact O-CG1 3.19Å; P610-I614 PolarHBondContact O-N 3.41Å
611	S	86.4	Confident	71	Confident	53 Å²	53	81.4 Å²	81.4	37%	0.371	44%	0.437	S	S	.	.	H	α-helix	trans	-66.4	-42.6	179.1	54.6	0	0	0	0	113	S609 I614 I615	S609-S611 PolarHBondContact O-N 2.85Å; S609-S611 PolarHBondContact OG-OG 2.8Å; S611-I614 PolarHBondContact O-N 3Å; S611-I615 PolarHBondContact O-N 2.83Å; S611-I615 VanDerWaalsContact O-N 3.07Å
612	L	89	Confident	74.2	Confident	3 Å²	3	79.5 Å²	79.5	2%	0.016	43%	0.427	C	S	.	.	H	α-helix	trans	-68.2	-36.3	176.3	-170.7	65	0	0	0	112	F560 L561 S609 T616 Y657 C660	F560-L612 HydrophobicContact CD1-CD1 4.14Å; F560-L612 HydrophobicContact CE1-CD1 4.08Å; L561-L612 HydrophobicContact CB-CD1 4.5Å; L561-L612 HydrophobicContact CD1-CD1 3.7Å; L561-L612 HydrophobicContact CD1-CD2 3.83Å; L561-L612 HydrophobicContact CD1-CG 4.4Å; S609-L612 PolarHBondContact O-N 2.77Å; S609-L612 PolarHBondContact OG-N 3.23Å; L612-T616 WeakPolarHBondContact O-CB 3.48Å; L612-T616 PolarHBondContact O-N 3.5Å; L612-T616 PolarHBondContact O-OG1 3.07Å; L612-Y657 HydrophobicContact CB-CD2 4.44Å; L612-Y657 HydrophobicContact CD2-CD2 3.95Å; L612-Y657 HydrophobicContact CG-CD2 3.95Å; L612-C660 HydrophobicContact CD2-CB 3.78Å
613	L	91.3	Very high	77.3	Confident	66 Å²	66	69.9 Å²	69.9	35%	0.346	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-49.9	174	175.7	59.8	0	0	0	110.6	S609 P610 I615 T616 V617 Y657	S609-L613 PolarHBondContact O-N 3.46Å; P610-L613 PolarHBondContact O-N 3.24Å; L613-I615 VanDerWaalsContact C-N 3.32Å; L613-I615 PolarHBondContact O-N 3.01Å; L613-T616 PolarHBondContact O-N 3.36Å; L613-V617 HydrophobicContact CD1-CG2 4.02Å; L613-V617 HydrophobicContact CG-CG2 4.47Å; L613-V617 WeakPolarHBondContact O-CG2 3.45Å; L613-V617 PolarHBondContact O-N 3.46Å; L613-Y657 HydrophobicContact CB-CE2 3.83Å; L613-Y657 HydrophobicContact CD1-CE1 4.16Å; L613-Y657 HydrophobicContact CD1-CE2 4.26Å
614	I	93.3	Very high	80.4	Confident	100 Å²	100	67.6 Å²	67.6	51%	0.513	38%	0.379	S	S	.	.	H	α-helix	trans	-55.5	-48.5	178.7	-71.6	163.4	0	0	0	110.6	P610 S611 T616 V617 I618	P610-I614 WeakPolarHBondContact O-CB 3.42Å; P610-I614 WeakPolarHBondContact O-CD1 3.42Å; P610-I614 WeakPolarHBondContact O-CG1 3.19Å; P610-I614 PolarHBondContact O-N 3.41Å; S611-I614 PolarHBondContact O-N 3Å; I614-T616 PolarHBondContact O-N 3.08Å; I614-V617 PolarHBondContact O-N 3.18Å; I614-I618 HydrophobicContact CG2-CD1 3.69Å; I614-I618 HydrophobicContact CG2-CG1 4.39Å; I614-I618 VanDerWaalsContact O-CG1 3.28Å; I614-I618 WeakPolarHBondContact O-CG1 3.34Å; I614-I618 PolarHBondContact O-N 3.14Å
615	I	93.1	Very high	83.1	Confident	45 Å²	45	65.8 Å²	65.8	23%	0.231	37%	0.371	C	S	.	.	H	α-helix	trans	-69.8	-34.1	-178.1	-76.1	161.7	0	0	0	112.5	Y557 F560 S611 L613 I618 Y619	Y557-I615 HydrophobicContact CD2-CG2 3.96Å; Y557-I615 HydrophobicContact CE2-CG2 4.24Å; F560-I615 HydrophobicContact CB-CG2 4.47Å; F560-I615 HydrophobicContact CD1-CB 4.17Å; F560-I615 HydrophobicContact CD1-CD1 3.52Å; F560-I615 HydrophobicContact CD1-CG1 4.43Å; F560-I615 HydrophobicContact CD1-CG2 3.8Å; F560-I615 HydrophobicContact CD2-CD1 3.53Å; F560-I615 HydrophobicContact CE1-CB 4.25Å; F560-I615 HydrophobicContact CE1-CD1 3.22Å; F560-I615 HydrophobicContact CE1-CG1 4.31Å; F560-I615 HydrophobicContact CE1-CG2 4.38Å; F560-I615 HydrophobicContact CE2-CD1 3.21Å; F560-I615 HydrophobicContact CG-CD1 3.69Å; F560-I615 HydrophobicContact CG-CG2 4.15Å; F560-I615 HydrophobicContact CZ-CD1 3.07Å; F560-I615 HydrophobicContact CZ-CG1 4.46Å; S611-I615 PolarHBondContact O-N 2.83Å; S611-I615 VanDerWaalsContact O-N 3.07Å; L613-I615 VanDerWaalsContact C-N 3.32Å; L613-I615 PolarHBondContact O-N 3.01Å; I615-I618 PolarHBondContact O-N 3.45Å; I615-Y619 WeakPolarHBondContact O-CB 3.37Å; I615-Y619 PolarHBondContact O-N 3.37Å
616	T	95	Very high	85.8	Confident	6 Å²	6	57.3 Å²	57.3	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-45	172.2	-55	0	0	0	0	110.4	Y557 L612 L613 I614 I618 Y619 V620 A653	Y557-T616 HydrophobicContact CE2-CG2 4.41Å; Y557-T616 WeakPolarHBondContact CE2-OG1 3.35Å; Y557-T616 PolarHBondContact OH-OG1 2.92Å; Y557-T616 VanDerWaalsContact OH-OG1 3.05Å; L612-T616 WeakPolarHBondContact O-CB 3.48Å; L612-T616 PolarHBondContact O-N 3.5Å; L612-T616 PolarHBondContact O-OG1 3.07Å; L613-T616 PolarHBondContact O-N 3.36Å; I614-T616 PolarHBondContact O-N 3.08Å; T616-I618 PolarHBondContact O-N 3.39Å; T616-Y619 PolarHBondContact O-N 3.12Å; T616-V620 HydrophobicContact CG2-CG2 4.44Å; T616-V620 WeakPolarHBondContact O-CB 3.26Å; T616-V620 VanDerWaalsContact O-CG2 3.27Å; T616-V620 WeakPolarHBondContact O-CG2 3.46Å; T616-V620 PolarHBondContact O-N 3.44Å; T616-A653 HydrophobicContact CG2-CB 4.49Å
617	V	95.8	Very high	88.1	Confident	79 Å²	79	52 Å²	52	48%	0.479	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-43.3	176.8	171.4	0	0	0	0	111.8	L613 I614 V620 S621	L613-V617 HydrophobicContact CD1-CG2 4.02Å; L613-V617 HydrophobicContact CG-CG2 4.47Å; L613-V617 WeakPolarHBondContact O-CG2 3.45Å; L613-V617 PolarHBondContact O-N 3.46Å; I614-V617 PolarHBondContact O-N 3.18Å; V617-V620 PolarHBondContact O-N 3.29Å; V617-S621 WeakPolarHBondContact O-CB 3.27Å; V617-S621 PolarHBondContact O-N 3.21Å; V617-S621 PolarHBondContact O-OG 3.23Å
618	I	95.5	Very high	90.2	Very high	89 Å²	89	52.3 Å²	52.3	46%	0.456	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-49.7	175.6	-70	167.5	0	0	0	110	I614 I615 T616 V620 S621 I622	I614-I618 HydrophobicContact CG2-CD1 3.69Å; I614-I618 HydrophobicContact CG2-CG1 4.39Å; I614-I618 VanDerWaalsContact O-CG1 3.28Å; I614-I618 WeakPolarHBondContact O-CG1 3.34Å; I614-I618 PolarHBondContact O-N 3.14Å; I615-I618 PolarHBondContact O-N 3.45Å; T616-I618 PolarHBondContact O-N 3.39Å; I618-V620 PolarHBondContact O-N 3.29Å; I618-S621 PolarHBondContact O-N 3.34Å; I618-I622 HydrophobicContact CG2-CD1 3.74Å; I618-I622 HydrophobicContact CG2-CG1 4.48Å; I618-I622 WeakPolarHBondContact O-CG1 3.47Å; I618-I622 PolarHBondContact O-N 2.72Å
619	Y	95.5	Very high	91.6	Very high	15 Å²	15	53.7 Å²	53.7	6%	0.059	30%	0.3	C	S	.	.	H	α-helix	trans	-58.8	-48.7	179.9	173.5	-102.2	0	0	0	112	G553 F554 Y557 I615 T616 S621 I622 Q623 P649 A653	G553-Y619 WeakPolarHBondContact O-CE2 3.39Å; F554-Y619 HydrophobicContact CB-CE2 4.42Å; Y557-Y619 HydrophobicContact CD2-CD1 4.35Å; Y557-Y619 AromaticContact CD2-CG 3.99Å; Y557-Y619 HydrophobicContact CD2-CG 3.99Å; Y557-Y619 HydrophobicContact CG-CD1 4.35Å; Y557-Y619 HydrophobicContact CG-CD2 4.33Å; Y557-Y619 HydrophobicContact CG-CG 4.09Å; I615-Y619 WeakPolarHBondContact O-CB 3.37Å; I615-Y619 PolarHBondContact O-N 3.37Å; T616-Y619 PolarHBondContact O-N 3.12Å; Y619-S621 VanDerWaalsContact C-N 3.33Å; Y619-S621 PolarHBondContact O-N 2.88Å; Y619-I622 PolarHBondContact O-N 2.91Å; Y619-Q623 HydrophobicContact CD1-CG 4.48Å; Y619-Q623 HydrophobicContact CD2-CG 4.37Å; Y619-Q623 HydrophobicContact CE1-CG 4Å; Y619-Q623 HydrophobicContact CE2-CG 3.86Å; Y619-Q623 WeakPolarHBondContact O-CG 3.19Å; Y619-Q623 PolarHBondContact O-N 3.48Å; Y619-Q623 PolarHBondContact OH-NE2 2.98Å; Y619-P649 HydrophobicContact CE1-CB 4.49Å; Y619-P649 WeakPolarHBondContact OH-CB 3.29Å; Y619-A653 HydrophobicContact CD1-CB 3.56Å; Y619-A653 HydrophobicContact CE1-CB 3.59Å
620	V	95.5	Very high	92.2	Very high	26 Å²	26	56.1 Å²	56.1	16%	0.158	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-42.9	178.1	170.8	0	0	0	0	111.2	T616 V617 I618 I622 Q623 L624 T650	T616-V620 HydrophobicContact CG2-CG2 4.44Å; T616-V620 WeakPolarHBondContact O-CB 3.26Å; T616-V620 VanDerWaalsContact O-CG2 3.27Å; T616-V620 WeakPolarHBondContact O-CG2 3.46Å; T616-V620 PolarHBondContact O-N 3.44Å; V617-V620 PolarHBondContact O-N 3.29Å; I618-V620 PolarHBondContact O-N 3.29Å; V620-I622 PolarHBondContact O-N 3.26Å; V620-Q623 PolarHBondContact O-N 3.46Å; V620-L624 HydrophobicContact CG1-CD1 3.9Å; V620-L624 HydrophobicContact CG1-CG 4.31Å; V620-L624 WeakPolarHBondContact O-CG 3.43Å; V620-L624 PolarHBondContact O-N 3.26Å; V620-T650 HydrophobicContact CB-CG2 4.27Å; V620-T650 HydrophobicContact CG1-CG2 3.69Å; V620-T650 HydrophobicContact CG2-CG2 3.77Å
621	S	95.4	Very high	92.6	Very high	65 Å²	65	51.7 Å²	51.7	46%	0.455	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-42.3	179.5	-56.7	0	0	0	0	111.8	V617 I618 Y619 L624 A625	V617-S621 WeakPolarHBondContact O-CB 3.27Å; V617-S621 PolarHBondContact O-N 3.21Å; V617-S621 PolarHBondContact O-OG 3.23Å; I618-S621 PolarHBondContact O-N 3.34Å; Y619-S621 VanDerWaalsContact C-N 3.33Å; Y619-S621 PolarHBondContact O-N 2.88Å; S621-L624 PolarHBondContact O-N 3.46Å; S621-A625 WeakPolarHBondContact O-CB 3.37Å; S621-A625 PolarHBondContact O-N 3.33Å
622	I	94.2	Very high	92.8	Very high	106 Å²	106	50 Å²	50	54%	0.544	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-43.4	176.3	-68.7	169.3	0	0	0	110.7	I618 Y619 V620 A625 F626	I618-I622 HydrophobicContact CG2-CD1 3.74Å; I618-I622 HydrophobicContact CG2-CG1 4.48Å; I618-I622 WeakPolarHBondContact O-CG1 3.47Å; I618-I622 PolarHBondContact O-N 2.72Å; Y619-I622 PolarHBondContact O-N 2.91Å; V620-I622 PolarHBondContact O-N 3.26Å; I622-A625 PolarHBondContact O-N 2.93Å; I622-F626 WeakPolarHBondContact O-CB 3.42Å; I622-F626 PolarHBondContact O-N 3.48Å
623	Q	93	Very high	92.8	Very high	8 Å²	8	53 Å²	53	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-39.9	178.9	-70.9	-64.2	-3.6	0	0	112.8	Y619 V620 F626 N627	Y619-Q623 HydrophobicContact CD1-CG 4.48Å; Y619-Q623 HydrophobicContact CD2-CG 4.37Å; Y619-Q623 HydrophobicContact CE1-CG 4Å; Y619-Q623 HydrophobicContact CE2-CG 3.86Å; Y619-Q623 WeakPolarHBondContact O-CG 3.19Å; Y619-Q623 PolarHBondContact O-N 3.48Å; Y619-Q623 PolarHBondContact OH-NE2 2.98Å; V620-Q623 PolarHBondContact O-N 3.46Å; Q623-F626 PolarHBondContact O-N 2.93Å; Q623-N627 PolarHBondContact O-N 3.35Å
624	L	92.7	Very high	92.7	Very high	101 Å²	101	50.2 Å²	50.2	53%	0.529	27%	0.271	S	S	.	.	H	α-helix	trans	-65.7	-42.2	175.1	-69.8	174.5	0	0	0	111.7	V620 S621 F626 N627 F628	V620-L624 HydrophobicContact CG1-CD1 3.9Å; V620-L624 HydrophobicContact CG1-CG 4.31Å; V620-L624 WeakPolarHBondContact O-CG 3.43Å; V620-L624 PolarHBondContact O-N 3.26Å; S621-L624 PolarHBondContact O-N 3.46Å; L624-F626 VanDerWaalsContact C-N 3.34Å; L624-N627 PolarHBondContact O-N 2.96Å; L624-F628 WeakPolarHBondContact O-CB 3.25Å; L624-F628 PolarHBondContact O-N 2.73Å
625	A	93	Very high	92.5	Very high	46 Å²	46	46.4 Å²	46.4	38%	0.38	25%	0.25	S	C	.	.	H	α-helix	trans	-62.6	-41.3	174.2	0	0	0	0	0	111.6	S621 I622 F628 I629	S621-A625 WeakPolarHBondContact O-CB 3.37Å; S621-A625 PolarHBondContact O-N 3.33Å; I622-A625 PolarHBondContact O-N 2.93Å; A625-F628 PolarHBondContact O-N 3.05Å; A625-I629 WeakPolarHBondContact O-CB 3.44Å; A625-I629 VanDerWaalsContact O-CG1 3.24Å; A625-I629 WeakPolarHBondContact O-CG1 3.35Å; A625-I629 PolarHBondContact O-N 3.5Å
626	F	92.1	Very high	92.4	Very high	21 Å²	21	45.8 Å²	45.8	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-50.1	175.6	-178.2	-92.5	0	0	0	111.7	L546 V549 I622 Q623 L624 F628 I629 F630 L646	L546-F626 HydrophobicContact CB-CZ 4.3Å; L546-F626 HydrophobicContact CD2-CE2 4.39Å; L546-F626 HydrophobicContact CD2-CZ 3.75Å; V549-F626 HydrophobicContact CB-CE2 4.16Å; V549-F626 HydrophobicContact CB-CZ 4.47Å; V549-F626 HydrophobicContact CG1-CD2 4.15Å; V549-F626 HydrophobicContact CG1-CE2 3.72Å; V549-F626 HydrophobicContact CG1-CZ 4.42Å; I622-F626 WeakPolarHBondContact O-CB 3.42Å; I622-F626 PolarHBondContact O-N 3.48Å; Q623-F626 PolarHBondContact O-N 2.93Å; L624-F626 VanDerWaalsContact C-N 3.34Å; F626-F628 VanDerWaalsContact C-N 3.3Å; F626-F628 PolarHBondContact O-N 3.32Å; F626-I629 PolarHBondContact O-N 3.2Å; F626-F630 HydrophobicContact CD1-CD2 4.34Å; F626-F630 AromaticContact CD2-CD2 3.31Å; F626-F630 HydrophobicContact CD2-CD2 3.31Å; F626-F630 AromaticContact CD2-CE2 3.35Å; F626-F630 HydrophobicContact CD2-CE2 3.35Å; F626-F630 HydrophobicContact CD2-CG 4.47Å; F626-F630 HydrophobicContact CE1-CD2 4.37Å; F626-F630 AromaticContact CE2-CD2 3.34Å; F626-F630 HydrophobicContact CE2-CD2 3.34Å; F626-F630 AromaticContact CE2-CE2 3.4Å; F626-F630 HydrophobicContact CE2-CE2 3.4Å; F626-F630 HydrophobicContact CE2-CG 4.2Å; F626-F630 HydrophobicContact CE2-CZ 4.27Å; F626-F630 AromaticContact CG-CD2 3.84Å; F626-F630 HydrophobicContact CG-CD2 3.84Å; F626-F630 HydrophobicContact CG-CE2 4.27Å; F626-F630 AromaticContact CZ-CD2 3.91Å; F626-F630 HydrophobicContact CZ-CD2 3.91Å; F626-F630 HydrophobicContact CZ-CE2 4.35Å; F626-F630 HydrophobicContact CZ-CG 4.41Å; F626-F630 WeakPolarHBondContact O-CD2 3.23Å; F626-F630 PolarHBondContact O-N 2.94Å; F626-L646 HydrophobicContact CD1-CD2 4.06Å; F626-L646 HydrophobicContact CE1-CD2 3.84Å
627	N	92.5	Very high	92.2	Very high	14 Å²	14	52.4 Å²	52.4	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-41.4	175.8	-173.3	28.3	0	0	0	111.6	Q623 L624 V631 C632 G640 S643 L646	Q623-N627 PolarHBondContact O-N 3.35Å; L624-N627 PolarHBondContact O-N 2.96Å; N627-V631 WeakPolarHBondContact O-CA 3.44Å; N627-V631 VanDerWaalsContact O-CB 3.25Å; N627-V631 WeakPolarHBondContact O-CB 3.45Å; N627-V631 PolarHBondContact O-N 3.47Å; N627-V631 WeakPolarHBondContact OD1-CB 3.27Å; N627-C632 PolarHBondContact O-N 3.04Å; N627-G640 PolarHBondContact ND2-O 2.91Å; N627-S643 PolarHBondContact OD1-OG 2.87Å; N627-S643 VanDerWaalsContact OD1-OG 3.09Å; N627-L646 HydrophobicContact CB-CB 4.32Å; N627-L646 HydrophobicContact CB-CD1 3.95Å; N627-L646 WeakPolarHBondContact OD1-CD1 3.31Å
628	F	92.1	Very high	92.1	Very high	108 Å²	108	53.4 Å²	53.4	47%	0.474	29%	0.289	S	S	.	.	I	π-helix	trans	-61.9	-50	177.5	-177.2	-99.7	0	0	0	112.2	L624 A625 F626 C632 L633	L624-F628 WeakPolarHBondContact O-CB 3.25Å; L624-F628 PolarHBondContact O-N 2.73Å; A625-F628 PolarHBondContact O-N 3.05Å; F626-F628 VanDerWaalsContact C-N 3.3Å; F626-F628 PolarHBondContact O-N 3.32Å; F628-C632 HydrophobicContact CD2-CB 3.79Å; F628-C632 HydrophobicContact CE2-CB 4.28Å; F628-C632 HydrophobicContact CG-CB 4.4Å; F628-C632 WeakPolarHBondContact O-CB 3.49Å; F628-C632 PolarHBondContact O-N 3.48Å; F628-L633 HydrophobicContact CD1-CD1 4.41Å; F628-L633 HydrophobicContact CD1-CG 4.28Å; F628-L633 HydrophobicContact CE1-CD1 4.1Å; F628-L633 HydrophobicContact CE1-CD2 3.78Å; F628-L633 HydrophobicContact CE1-CG 3.92Å; F628-L633 HydrophobicContact CZ-CD2 3.74Å; F628-L633 HydrophobicContact CZ-CG 4.26Å; F628-L633 WeakPolarHBondContact O-CG 3.29Å; F628-L633 PolarHBondContact O-N 2.96Å
629	I	88.3	Confident	92	Very high	75 Å²	75	49.5 Å²	49.5	39%	0.385	27%	0.269	S	S	.	.	I	π-helix	trans	-68.1	-47	-174.9	-68.4	165.8	0	0	0	111.6	A625 F626	A625-I629 WeakPolarHBondContact O-CB 3.44Å; A625-I629 VanDerWaalsContact O-CG1 3.24Å; A625-I629 WeakPolarHBondContact O-CG1 3.35Å; A625-I629 PolarHBondContact O-N 3.5Å; F626-I629 PolarHBondContact O-N 3.2Å
630	F	88.3	Confident	91.9	Very high	59 Å²	59	49 Å²	49	26%	0.259	27%	0.268	S	S	.	.	I	π-helix	trans	-93.5	-18	-170.6	-66.8	-75.2	0	0	0	114.2	P195 L546 F626	P195-F630 HydrophobicContact CB-CD1 4.46Å; P195-F630 HydrophobicContact CG-CD1 4.07Å; L546-F630 HydrophobicContact CD2-CB 4.32Å; L546-F630 HydrophobicContact CD2-CD1 4.06Å; L546-F630 HydrophobicContact CD2-CG 4.13Å; F626-F630 HydrophobicContact CD1-CD2 4.34Å; F626-F630 AromaticContact CD2-CD2 3.31Å; F626-F630 HydrophobicContact CD2-CD2 3.31Å; F626-F630 AromaticContact CD2-CE2 3.35Å; F626-F630 HydrophobicContact CD2-CE2 3.35Å; F626-F630 HydrophobicContact CD2-CG 4.47Å; F626-F630 HydrophobicContact CE1-CD2 4.37Å; F626-F630 AromaticContact CE2-CD2 3.34Å; F626-F630 HydrophobicContact CE2-CD2 3.34Å; F626-F630 AromaticContact CE2-CE2 3.4Å; F626-F630 HydrophobicContact CE2-CE2 3.4Å; F626-F630 HydrophobicContact CE2-CG 4.2Å; F626-F630 HydrophobicContact CE2-CZ 4.27Å; F626-F630 AromaticContact CG-CD2 3.84Å; F626-F630 HydrophobicContact CG-CD2 3.84Å; F626-F630 HydrophobicContact CG-CE2 4.27Å; F626-F630 AromaticContact CZ-CD2 3.91Å; F626-F630 HydrophobicContact CZ-CD2 3.91Å; F626-F630 HydrophobicContact CZ-CE2 4.35Å; F626-F630 HydrophobicContact CZ-CG 4.41Å; F626-F630 WeakPolarHBondContact O-CD2 3.23Å; F626-F630 PolarHBondContact O-N 2.94Å
631	V	92.1	Very high	91.7	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	29%	0.29	C	S	.	.	I	π-helix	trans	-117.5	-58.1	-179.7	-171.6	0	0	0	0	111.5	F514 N627 L633 S634 Y635 V639 L646	F514-V631 HydrophobicContact CB-CG1 4.42Å; F514-V631 HydrophobicContact CD1-CG2 3.92Å; F514-V631 HydrophobicContact CD2-CG1 3.95Å; F514-V631 HydrophobicContact CE1-CG2 4.01Å; F514-V631 HydrophobicContact CE2-CG1 4.29Å; F514-V631 HydrophobicContact CG-CG1 4.12Å; F514-V631 HydrophobicContact CG-CG2 4.2Å; F514-V631 HydrophobicContact CZ-CG2 4.36Å; N627-V631 WeakPolarHBondContact O-CA 3.44Å; N627-V631 VanDerWaalsContact O-CB 3.25Å; N627-V631 WeakPolarHBondContact O-CB 3.45Å; N627-V631 PolarHBondContact O-N 3.47Å; N627-V631 WeakPolarHBondContact OD1-CB 3.27Å; V631-L633 PolarHBondContact O-N 2.92Å; V631-S634 PolarHBondContact O-N 3.2Å; V631-Y635 HydrophobicContact CG1-CD2 4.41Å; V631-Y635 PolarHBondContact O-N 2.87Å; V631-V639 HydrophobicContact CG1-CB 4.15Å; V631-V639 HydrophobicContact CG1-CG1 3.6Å; V631-L646 HydrophobicContact CG2-CD1 3.53Å
632	C	92.1	Very high	91.7	Very high	16 Å²	16	53.8 Å²	53.8	11%	0.108	29%	0.287	C	S	.	.	I	π-helix	trans	-63.3	-44	-173.2	-61	0	0	0	0	113	N627 F628 S634 G636	N627-C632 PolarHBondContact O-N 3.04Å; F628-C632 HydrophobicContact CD2-CB 3.79Å; F628-C632 HydrophobicContact CE2-CB 4.28Å; F628-C632 HydrophobicContact CG-CB 4.4Å; F628-C632 WeakPolarHBondContact O-CB 3.49Å; F628-C632 PolarHBondContact O-N 3.48Å; C632-S634 VanDerWaalsContact C-N 3.32Å; C632-S634 PolarHBondContact O-N 2.87Å; C632-G636 CarbonylContact O-C 3.41Å; C632-G636 WeakPolarHBondContact O-CA 3.33Å; C632-G636 PolarHBondContact O-N 3.33Å
633	L	88.7	Confident	91.7	Very high	66 Å²	66	48.7 Å²	48.7	35%	0.346	26%	0.261	S	S	.	.	H	α-helix	trans	-66.4	-35.3	-178.9	-69.9	180	0	0	0	112.6	F628 V631	F628-L633 HydrophobicContact CD1-CD1 4.41Å; F628-L633 HydrophobicContact CD1-CG 4.28Å; F628-L633 HydrophobicContact CE1-CD1 4.1Å; F628-L633 HydrophobicContact CE1-CD2 3.78Å; F628-L633 HydrophobicContact CE1-CG 3.92Å; F628-L633 HydrophobicContact CZ-CD2 3.74Å; F628-L633 HydrophobicContact CZ-CG 4.26Å; F628-L633 WeakPolarHBondContact O-CG 3.29Å; F628-L633 PolarHBondContact O-N 2.96Å; V631-L633 PolarHBondContact O-N 2.92Å
634	S	87.5	Confident	91.7	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-83.8	-42.1	-176.2	-65.1	0	0	0	0	113.6	W194 V631 C632	W194-S634 WeakPolarHBondContact O-CB 3.31Å; W194-S634 PolarHBondContact O-OG 2.98Å; V631-S634 PolarHBondContact O-N 3.2Å; C632-S634 VanDerWaalsContact C-N 3.32Å; C632-S634 PolarHBondContact O-N 2.87Å
635	Y	90.6	Very high	91.6	Very high	20 Å²	20	45.3 Å²	45.3	8%	0.078	25%	0.246	C	C	.	.	H	α-helix	trans	-118.3	-4.8	-168.6	-56.7	-74.9	0	0	0	113.5	K193 F514 L518 V631 V639	K193-Y635 HydrophobicContact CB-CE1 3.9Å; K193-Y635 HydrophobicContact CD-CD1 4.46Å; K193-Y635 HydrophobicContact CD-CE1 4.42Å; K193-Y635 PolarHBondContact O-OH 3.26Å; F514-Y635 HydrophobicContact CE2-CD2 4.03Å; F514-Y635 HydrophobicContact CE2-CE2 4Å; F514-Y635 HydrophobicContact CZ-CD2 4.46Å; F514-Y635 HydrophobicContact CZ-CE2 4.08Å; L518-Y635 HydrophobicContact CB-CD1 4.3Å; L518-Y635 HydrophobicContact CB-CE1 4.15Å; L518-Y635 HydrophobicContact CD2-CD1 3.74Å; L518-Y635 HydrophobicContact CD2-CE1 3.98Å; L518-Y635 HydrophobicContact CD2-CG 4.11Å; V631-Y635 HydrophobicContact CG1-CD2 4.41Å; V631-Y635 PolarHBondContact O-N 2.87Å; Y635-V639 HydrophobicContact CG-CG1 4.48Å; Y635-V639 VanDerWaalsContact O-CG2 3.26Å; Y635-V639 WeakPolarHBondContact O-CG2 3.24Å
636	G	90.3	Very high	91.3	Very high	32 Å²	32	43.5 Å²	43.5	33%	0.33	23%	0.23	S	C	.	.			trans	94.3	162.1	179.4	0	0	0	0	0	113.6	C632 V638 V639 G640	C632-G636 CarbonylContact O-C 3.41Å; C632-G636 WeakPolarHBondContact O-CA 3.33Å; C632-G636 PolarHBondContact O-N 3.33Å; G636-V638 VanDerWaalsContact C-N 3.31Å; G636-V638 PolarHBondContact O-N 3.25Å; G636-V639 PolarHBondContact O-N 3.37Å; G636-G640 PolarHBondContact O-N 3.31Å
637	F	91.9	Very high	91.2	Very high	145 Å²	145	45.3 Å²	45.3	64%	0.636	24%	0.242	S	C	*	.	H	α-helix	trans	-60.3	-36.9	-173.1	-176.6	-106.2	0	0	0	113.7	V639 G640 L641	F637-V639 VanDerWaalsContact C-N 3.31Å; F637-V639 PolarHBondContact O-N 3.06Å; F637-G640 PolarHBondContact O-N 2.85Å; F637-G640 VanDerWaalsContact O-N 3.16Å; F637-L641 HydrophobicContact CD1-CD1 4.07Å; F637-L641 HydrophobicContact CD1-CG 4.38Å; F637-L641 HydrophobicContact CE1-CD1 3.67Å; F637-L641 HydrophobicContact CE1-CD2 4.29Å; F637-L641 HydrophobicContact CE1-CG 4.02Å; F637-L641 HydrophobicContact CZ-CD1 4.35Å; F637-L641 HydrophobicContact CZ-CD2 4.14Å; F637-L641 HydrophobicContact CZ-CG 4.29Å; F637-L641 PolarHBondContact O-N 3.22Å; F637-L641 VanDerWaalsContact O-N 3.09Å
638	V	93.5	Very high	91.2	Very high	100 Å²	100	46.7 Å²	46.7	61%	0.606	25%	0.249	S	C	*	.	H	α-helix	trans	-61.5	-40.9	179.1	178.4	0	0	0	0	111.3	G636 G640 L641 L642	G636-V638 VanDerWaalsContact C-N 3.31Å; G636-V638 PolarHBondContact O-N 3.25Å; V638-G640 VanDerWaalsContact C-N 3.31Å; V638-G640 PolarHBondContact O-N 3.01Å; V638-L641 WeakPolarHBondContact O-CB 3.45Å; V638-L641 PolarHBondContact O-N 3.47Å; V638-L642 HydrophobicContact CG1-CD1 4.27Å; V638-L642 PolarHBondContact O-N 3.36Å
639	V	93.4	Very high	91.3	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-38.8	177.3	-175	0	0	0	0	110.5	F514 L518 V631 Y635 G636 F637 L641 L642 S643	F514-V639 HydrophobicContact CD2-CG1 3.71Å; F514-V639 HydrophobicContact CE2-CG1 4.35Å; L518-V639 HydrophobicContact CD2-CG1 4.38Å; V631-V639 HydrophobicContact CG1-CB 4.15Å; V631-V639 HydrophobicContact CG1-CG1 3.6Å; Y635-V639 HydrophobicContact CG-CG1 4.48Å; Y635-V639 VanDerWaalsContact O-CG2 3.26Å; Y635-V639 WeakPolarHBondContact O-CG2 3.24Å; G636-V639 PolarHBondContact O-N 3.37Å; F637-V639 VanDerWaalsContact C-N 3.31Å; F637-V639 PolarHBondContact O-N 3.06Å; V639-L641 VanDerWaalsContact C-N 3.26Å; V639-L641 PolarHBondContact O-N 2.89Å; V639-L642 CarbonylContact O-C 3.6Å; V639-L642 WeakPolarHBondContact O-CA 3.31Å; V639-L642 PolarHBondContact O-N 2.77Å; V639-S643 PolarHBondContact O-N 3.27Å; V639-S643 PolarHBondContact O-OG 2.93Å
640	G	92.5	Very high	91.6	Very high	4 Å²	4	39 Å²	39	4%	0.041	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-31.6	173.1	0	0	0	0	0	114.6	N627 G636 F637 V638 S643	N627-G640 PolarHBondContact ND2-O 2.91Å; G636-G640 PolarHBondContact O-N 3.31Å; F637-G640 PolarHBondContact O-N 2.85Å; F637-G640 VanDerWaalsContact O-N 3.16Å; V638-G640 VanDerWaalsContact C-N 3.31Å; V638-G640 PolarHBondContact O-N 3.01Å; G640-S643 WeakPolarHBondContact O-CB 3.48Å; G640-S643 PolarHBondContact O-OG 3.24Å
641	L	91.6	Very high	91.9	Very high	118 Å²	118	39.1 Å²	39.1	62%	0.618	22%	0.222	S	C	*	.	H	α-helix	trans	-74	-35.6	171.6	-66.6	176.2	0	0	0	111.7	F637 V638 V639 S643	F637-L641 HydrophobicContact CD1-CD1 4.07Å; F637-L641 HydrophobicContact CD1-CG 4.38Å; F637-L641 HydrophobicContact CE1-CD1 3.67Å; F637-L641 HydrophobicContact CE1-CD2 4.29Å; F637-L641 HydrophobicContact CE1-CG 4.02Å; F637-L641 HydrophobicContact CZ-CD1 4.35Å; F637-L641 HydrophobicContact CZ-CD2 4.14Å; F637-L641 HydrophobicContact CZ-CG 4.29Å; F637-L641 PolarHBondContact O-N 3.22Å; F637-L641 VanDerWaalsContact O-N 3.09Å; V638-L641 WeakPolarHBondContact O-CB 3.45Å; V638-L641 PolarHBondContact O-N 3.47Å; V639-L641 VanDerWaalsContact C-N 3.26Å; V639-L641 PolarHBondContact O-N 2.89Å; L641-S643 PolarHBondContact O-N 3.37Å; L641-S643 VanDerWaalsContact O-N 3.14Å
642	L	94.8	Very high	92.1	Very high	74 Å²	74	39.5 Å²	39.5	39%	0.387	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	38.9	174.5	-63.5	176.8	0	0	0	112.3	F514 M515 V638 V639 P644	F514-L642 CarbonylContact C-O 3.58Å; F514-L642 VanDerWaalsContact CA-O 3.27Å; F514-L642 WeakPolarHBondContact CA-O 3.33Å; M515-L642 HydrophobicContact CG-CB 4Å; M515-L642 PolarHBondContact N-O 3.46Å; M515-L642 VanDerWaalsContact O-CB 3.25Å; M515-L642 WeakPolarHBondContact O-CB 3.35Å; V638-L642 HydrophobicContact CG1-CD1 4.27Å; V638-L642 PolarHBondContact O-N 3.36Å; V639-L642 CarbonylContact O-C 3.6Å; V639-L642 WeakPolarHBondContact O-CA 3.31Å; V639-L642 PolarHBondContact O-N 2.77Å; L642-P644 WeakPolarHBondContact O-CD 3.4Å
643	S	94.9	Very high	92.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.			trans	-111.5	58.6	177.8	-61.3	0	0	0	0	112.7	L513 F514 N627 V639 G640 L641 G645 L646 V647	L513-S643 CarbonylContact O-C 3.4Å; L513-S643 VanDerWaalsContact O-C 3.29Å; L513-S643 WeakPolarHBondContact O-CA 3.28Å; F514-S643 VanDerWaalsContact CB-OG 3.32Å; F514-S643 WeakPolarHBondContact CB-OG 3.39Å; N627-S643 PolarHBondContact OD1-OG 2.87Å; N627-S643 VanDerWaalsContact OD1-OG 3.09Å; V639-S643 PolarHBondContact O-N 3.27Å; V639-S643 PolarHBondContact O-OG 2.93Å; G640-S643 WeakPolarHBondContact O-CB 3.48Å; G640-S643 PolarHBondContact O-OG 3.24Å; L641-S643 PolarHBondContact O-N 3.37Å; L641-S643 VanDerWaalsContact O-N 3.14Å; S643-G645 PolarHBondContact O-N 3.38Å; S643-L646 PolarHBondContact O-N 3.42Å; S643-V647 WeakPolarHBondContact O-CG2 3.41Å; S643-V647 PolarHBondContact O-N 3.07Å
644	P	93.6	Very high	92.5	Very high	38 Å²	38	37.9 Å²	37.9	25%	0.247	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-36.8	-175	24.1	-34.4	0	0	0	112.7	Y507 M515 L642 L646 V647 I648	Y507-P644 VanDerWaalsContact OH-CB 3.27Å; Y507-P644 WeakPolarHBondContact OH-CB 3.37Å; Y507-P644 WeakPolarHBondContact OH-CG 3.48Å; M515-P644 HydrophobicContact CE-CG 4.13Å; L642-P644 WeakPolarHBondContact O-CD 3.4Å; P644-L646 PolarHBondContact O-N 2.91Å; P644-V647 PolarHBondContact O-N 3.43Å; P644-I648 HydrophobicContact CB-CD1 4.34Å; P644-I648 WeakPolarHBondContact O-CB 3.45Å; P644-I648 WeakPolarHBondContact O-CD1 3.5Å; P644-I648 WeakPolarHBondContact O-CG1 3.39Å; P644-I648 PolarHBondContact O-N 3.32Å
645	G	90.4	Very high	92.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-26	176.6	0	0	0	0	0	113.9	Y507 P512 L513 Q550 S643 P649	Y507-G645 VanDerWaalsContact CE1-CA 3.5Å; P512-G645 PolarHBondContact O-N 3.39Å; L513-G645 PolarHBondContact O-N 2.99Å; Q550-G645 PolarHBondContact NE2-O 3.29Å; S643-G645 PolarHBondContact O-N 3.38Å; G645-P649 WeakPolarHBondContact O-CD 3.35Å; G645-P649 WeakPolarHBondContact O-CG 3.48Å
646	L	86.3	Confident	92.9	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-89.4	-24.6	176.3	-57.7	178.7	0	0	0	112.9	Q550 F626 N627 V631 S643 P644	Q550-L646 HydrophobicContact CG-CD2 4.41Å; F626-L646 HydrophobicContact CD1-CD2 4.06Å; F626-L646 HydrophobicContact CE1-CD2 3.84Å; N627-L646 HydrophobicContact CB-CB 4.32Å; N627-L646 HydrophobicContact CB-CD1 3.95Å; N627-L646 WeakPolarHBondContact OD1-CD1 3.31Å; V631-L646 HydrophobicContact CG2-CD1 3.53Å; S643-L646 PolarHBondContact O-N 3.42Å; P644-L646 PolarHBondContact O-N 2.91Å
647	V	89.8	Confident	93	Very high	59 Å²	59	39.8 Å²	39.8	36%	0.358	22%	0.218	S	C	.	.	H	α-helix	trans	-87.6	-38.9	-179.8	177.5	0	0	0	0	112.5	S643 P644 T650 C651	S643-V647 WeakPolarHBondContact O-CG2 3.41Å; S643-V647 PolarHBondContact O-N 3.07Å; P644-V647 PolarHBondContact O-N 3.43Å; V647-T650 VanDerWaalsContact O-CB 3.3Å; V647-T650 WeakPolarHBondContact O-CB 3.24Å; V647-T650 PolarHBondContact O-N 3.26Å; V647-T650 VanDerWaalsContact O-N 3.1Å; V647-C651 PolarHBondContact O-N 3.23Å; V647-C651 VanDerWaalsContact O-N 3.1Å
648	I	93.1	Very high	92.9	Very high	43 Å²	43	37.6 Å²	37.6	22%	0.221	21%	0.212	C	C	.	.	H	α-helix	trans	-53.2	-44.5	180	-72.1	163.9	0	0	0	113.5	F504 Y507 P644 T650 C651 V652	F504-I648 HydrophobicContact CB-CG2 4.19Å; F504-I648 HydrophobicContact CD2-CG2 3.71Å; F504-I648 HydrophobicContact CG-CG2 4.32Å; Y507-I648 HydrophobicContact CD1-CD1 3.82Å; Y507-I648 HydrophobicContact CD2-CD1 3.47Å; Y507-I648 VanDerWaalsContact CD2-CD1 3.47Å; Y507-I648 HydrophobicContact CE1-CD1 3.73Å; Y507-I648 HydrophobicContact CE2-CD1 3.31Å; Y507-I648 HydrophobicContact CG-CD1 3.74Å; Y507-I648 VanDerWaalsContact CZ-CD1 3.48Å; P644-I648 HydrophobicContact CB-CD1 4.34Å; P644-I648 WeakPolarHBondContact O-CB 3.45Å; P644-I648 WeakPolarHBondContact O-CD1 3.5Å; P644-I648 WeakPolarHBondContact O-CG1 3.39Å; P644-I648 PolarHBondContact O-N 3.32Å; I648-T650 VanDerWaalsContact C-N 3.27Å; I648-T650 PolarHBondContact O-N 3.01Å; I648-C651 WeakPolarHBondContact O-CB 3.45Å; I648-C651 PolarHBondContact O-N 3.39Å; I648-C651 VanDerWaalsContact O-N 3.12Å; I648-V652 HydrophobicContact CG2-CG2 4.13Å; I648-V652 WeakPolarHBondContact O-CG2 3.46Å; I648-V652 PolarHBondContact O-N 3.41Å
649	P	93.5	Very high	92.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-38.5	178.6	-16.2	23.6	0	0	0	112.9	F504 Q550 F554 Y619 G645 V652 A653	F504-P649 HydrophobicContact CD2-CG 4.28Å; F504-P649 HydrophobicContact CE2-CB 4.21Å; F504-P649 HydrophobicContact CE2-CG 3.54Å; F504-P649 HydrophobicContact CZ-CB 4.11Å; F504-P649 HydrophobicContact CZ-CG 3.76Å; Q550-P649 HydrophobicContact CG-CG 4.17Å; F554-P649 HydrophobicContact CD2-CB 4.44Å; Y619-P649 HydrophobicContact CE1-CB 4.49Å; Y619-P649 WeakPolarHBondContact OH-CB 3.29Å; G645-P649 WeakPolarHBondContact O-CD 3.35Å; G645-P649 WeakPolarHBondContact O-CG 3.48Å; P649-V652 PolarHBondContact O-N 3.44Å; P649-A653 WeakPolarHBondContact O-CB 3.5Å; P649-A653 PolarHBondContact O-N 3.43Å
650	T	93.9	Very high	92.3	Very high	21 Å²	21	38.2 Å²	38.2	13%	0.129	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-47	174.8	-68.5	0	0	0	0	110.5	V620 V647 I648 V652 A653 C654	V620-T650 HydrophobicContact CB-CG2 4.27Å; V620-T650 HydrophobicContact CG1-CG2 3.69Å; V620-T650 HydrophobicContact CG2-CG2 3.77Å; V647-T650 VanDerWaalsContact O-CB 3.3Å; V647-T650 WeakPolarHBondContact O-CB 3.24Å; V647-T650 PolarHBondContact O-N 3.26Å; V647-T650 VanDerWaalsContact O-N 3.1Å; I648-T650 VanDerWaalsContact C-N 3.27Å; I648-T650 PolarHBondContact O-N 3.01Å; T650-V652 VanDerWaalsContact C-N 3.35Å; T650-V652 PolarHBondContact O-N 3.09Å; T650-A653 PolarHBondContact O-N 3.07Å; T650-C654 PolarHBondContact O-N 3.24Å; T650-C654 PolarHBondContact O-SG 3.1Å
651	C	94.9	Very high	91.2	Very high	63 Å²	63	39 Å²	39	43%	0.426	21%	0.21	S	C	.	.	H	α-helix	trans	-60.3	-43.8	174.9	-62.4	0	0	0	0	111.9	V647 I648 C654 I655	V647-C651 PolarHBondContact O-N 3.23Å; V647-C651 VanDerWaalsContact O-N 3.1Å; I648-C651 WeakPolarHBondContact O-CB 3.45Å; I648-C651 PolarHBondContact O-N 3.39Å; I648-C651 VanDerWaalsContact O-N 3.12Å; C651-C654 PolarHBondContact O-N 3.43Å; C651-I655 VanDerWaalsContact O-CG1 3.23Å; C651-I655 WeakPolarHBondContact O-CG1 3.48Å; C651-I655 PolarHBondContact O-N 3.4Å
652	V	96	Very high	90	Very high	8 Å²	8	37 Å²	37	5%	0.048	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-46.3	177.9	173.3	0	0	0	0	110.7	P500 I501 F504 F554 I648 P649 T650 C654 I655 L656	P500-V652 HydrophobicContact CB-CG1 4.14Å; P500-V652 HydrophobicContact CB-CG2 4.26Å; I501-V652 HydrophobicContact CG1-CG1 4.39Å; F504-V652 HydrophobicContact CB-CG2 3.96Å; F554-V652 HydrophobicContact CE2-CB 4.33Å; F554-V652 HydrophobicContact CE2-CG1 3.77Å; F554-V652 HydrophobicContact CZ-CG1 3.86Å; I648-V652 HydrophobicContact CG2-CG2 4.13Å; I648-V652 WeakPolarHBondContact O-CG2 3.46Å; I648-V652 PolarHBondContact O-N 3.41Å; P649-V652 PolarHBondContact O-N 3.44Å; T650-V652 VanDerWaalsContact C-N 3.35Å; T650-V652 PolarHBondContact O-N 3.09Å; V652-C654 VanDerWaalsContact C-N 3.32Å; V652-C654 PolarHBondContact O-N 3.41Å; V652-I655 PolarHBondContact O-N 2.89Å; V652-L656 HydrophobicContact CG1-CD1 3.83Å; V652-L656 HydrophobicContact CG1-CG 4.17Å; V652-L656 WeakPolarHBondContact O-CB 3.43Å; V652-L656 WeakPolarHBondContact O-CG 3.4Å; V652-L656 PolarHBondContact O-N 3.05Å
653	A	95.3	Very high	88	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-43.3	175.9	0	0	0	0	0	112	Y557 T616 Y619 P649 T650 L656 Y657	Y557-A653 HydrophobicContact CD1-CB 4.13Å; Y557-A653 HydrophobicContact CE1-CB 3.64Å; Y557-A653 HydrophobicContact CE2-CB 4.32Å; Y557-A653 PolarHBondContact OH-O 2.95Å; T616-A653 HydrophobicContact CG2-CB 4.49Å; Y619-A653 HydrophobicContact CD1-CB 3.56Å; Y619-A653 HydrophobicContact CE1-CB 3.59Å; P649-A653 WeakPolarHBondContact O-CB 3.5Å; P649-A653 PolarHBondContact O-N 3.43Å; T650-A653 PolarHBondContact O-N 3.07Å; A653-L656 PolarHBondContact O-N 3.46Å; A653-Y657 WeakPolarHBondContact O-CB 3.31Å; A653-Y657 PolarHBondContact O-N 2.95Å
654	C	94.4	Very high	85.7	Confident	49 Å²	49	44.1 Å²	44.1	33%	0.331	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-44.2	174.8	-68.3	0	0	0	0	112.6	T650 C651 V652 L656 Y657 I658	T650-C654 PolarHBondContact O-N 3.24Å; T650-C654 PolarHBondContact O-SG 3.1Å; C651-C654 PolarHBondContact O-N 3.43Å; V652-C654 VanDerWaalsContact C-N 3.32Å; V652-C654 PolarHBondContact O-N 3.41Å; C654-L656 VanDerWaalsContact C-N 3.34Å; C654-L656 PolarHBondContact O-N 3Å; C654-Y657 PolarHBondContact O-N 3.08Å; C654-I658 WeakPolarHBondContact O-CD1 3.2Å; C654-I658 VanDerWaalsContact O-CG1 3.24Å; C654-I658 WeakPolarHBondContact O-CG1 3.33Å; C654-I658 PolarHBondContact O-N 3.32Å
655	I	94.1	Very high	83.3	Confident	59 Å²	59	48.9 Å²	48.9	30%	0.303	26%	0.255	S	S	.	.	H	α-helix	trans	-60.5	-45.4	176.3	-69.9	165.6	0	0	0	110.3	P500 C651 V652 Y657 I658 Y659	P500-I655 HydrophobicContact CB-CG2 4.3Å; P500-I655 HydrophobicContact CG-CG2 3.75Å; C651-I655 VanDerWaalsContact O-CG1 3.23Å; C651-I655 WeakPolarHBondContact O-CG1 3.48Å; C651-I655 PolarHBondContact O-N 3.4Å; V652-I655 PolarHBondContact O-N 2.89Å; I655-Y657 VanDerWaalsContact C-N 3.34Å; I655-Y657 PolarHBondContact O-N 3.43Å; I655-I658 PolarHBondContact O-N 2.94Å; I655-Y659 HydrophobicContact CG2-CD2 3.71Å; I655-Y659 HydrophobicContact CG2-CE2 4.03Å; I655-Y659 VanDerWaalsContact O-CD2 3.31Å; I655-Y659 WeakPolarHBondContact O-CD2 3.43Å; I655-Y659 PolarHBondContact O-N 2.98Å
656	L	93.6	Very high	81.1	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-41.8	178.4	-70.4	174.9	0	0	0	112	L497 I501 F554 Y557 L561 V652 A653 C654 C660	L497-L656 HydrophobicContact CB-CD2 3.97Å; L497-L656 HydrophobicContact CD2-CD2 3.71Å; L497-L656 HydrophobicContact CG-CD2 4.46Å; L497-L656 WeakPolarHBondContact O-CD2 3.47Å; I501-L656 HydrophobicContact CD1-CD1 4.15Å; I501-L656 HydrophobicContact CD1-CD2 3.85Å; I501-L656 HydrophobicContact CG1-CD1 3.94Å; I501-L656 HydrophobicContact CG1-CD2 3.99Å; I501-L656 HydrophobicContact CG1-CG 4.48Å; F554-L656 HydrophobicContact CZ-CD1 4.48Å; Y557-L656 HydrophobicContact CE1-CB 4.5Å; Y557-L656 HydrophobicContact CE1-CD1 4.08Å; L561-L656 HydrophobicContact CD2-CB 3.72Å; L561-L656 HydrophobicContact CD2-CD1 3.79Å; L561-L656 HydrophobicContact CD2-CD2 4.12Å; L561-L656 HydrophobicContact CD2-CG 4.08Å; V652-L656 HydrophobicContact CG1-CD1 3.83Å; V652-L656 HydrophobicContact CG1-CG 4.17Å; V652-L656 WeakPolarHBondContact O-CB 3.43Å; V652-L656 WeakPolarHBondContact O-CG 3.4Å; V652-L656 PolarHBondContact O-N 3.05Å; A653-L656 PolarHBondContact O-N 3.46Å; C654-L656 VanDerWaalsContact C-N 3.34Å; C654-L656 PolarHBondContact O-N 3Å; L656-C660 WeakPolarHBondContact O-CB 3.23Å; L656-C660 PolarHBondContact O-N 3.27Å
657	Y	92.1	Very high	78.8	Confident	41 Å²	41	57.4 Å²	57.4	16%	0.161	29%	0.293	C	S	.	.	H	α-helix	trans	-61.7	-47.5	173.5	166.4	-106.4	0	0	0	112.3	S608 L612 L613 A653 C654 I655 Y659 C660	S608-Y657 WeakPolarHBondContact CB-OH 2.92Å; L612-Y657 HydrophobicContact CB-CD2 4.44Å; L612-Y657 HydrophobicContact CD2-CD2 3.95Å; L612-Y657 HydrophobicContact CG-CD2 3.95Å; L613-Y657 HydrophobicContact CB-CE2 3.83Å; L613-Y657 HydrophobicContact CD1-CE1 4.16Å; L613-Y657 HydrophobicContact CD1-CE2 4.26Å; A653-Y657 WeakPolarHBondContact O-CB 3.31Å; A653-Y657 PolarHBondContact O-N 2.95Å; C654-Y657 PolarHBondContact O-N 3.08Å; I655-Y657 VanDerWaalsContact C-N 3.34Å; I655-Y657 PolarHBondContact O-N 3.43Å; Y657-Y659 PolarHBondContact O-N 2.76Å; Y657-C660 WeakPolarHBondContact O-CB 3.2Å; Y657-C660 PolarHBondContact O-N 2.89Å
658	I	89.9	Confident	76.5	Confident	100 Å²	100	63.5 Å²	63.5	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-42.6	-177.6	-70.4	164.6	0	0	0	111.6	C654 I655	C654-I658 WeakPolarHBondContact O-CD1 3.2Å; C654-I658 VanDerWaalsContact O-CG1 3.24Å; C654-I658 WeakPolarHBondContact O-CG1 3.33Å; C654-I658 PolarHBondContact O-N 3.32Å; I655-I658 PolarHBondContact O-N 2.94Å
659	Y	88.3	Confident	73.9	Confident	109 Å²	109	66.6 Å²	66.6	43%	0.427	34%	0.335	S	S	.	.	H	α-helix	trans	-93.5	2.9	-177.5	-68	-65.8	0	0	0	114.2	K496 I655 Y657	K496-Y659 HydrophobicContact CB-CD1 4.33Å; K496-Y659 HydrophobicContact CB-CD2 4.3Å; K496-Y659 HydrophobicContact CB-CG 4.05Å; K496-Y659 HydrophobicContact CD-CD1 3.61Å; K496-Y659 HydrophobicContact CD-CE1 3.61Å; K496-Y659 HydrophobicContact CD-CG 4.18Å; I655-Y659 HydrophobicContact CG2-CD2 3.71Å; I655-Y659 HydrophobicContact CG2-CE2 4.03Å; I655-Y659 VanDerWaalsContact O-CD2 3.31Å; I655-Y659 WeakPolarHBondContact O-CD2 3.43Å; I655-Y659 PolarHBondContact O-N 2.98Å; Y657-Y659 PolarHBondContact O-N 2.76Å
660	C	84.9	Confident	71.4	Confident	10 Å²	10	71.6 Å²	71.6	7%	0.068	36%	0.361	C	S	.	.	S	Bend	trans	-56.4	127.8	174.8	-174.5	0	0	0	0	109.6	L561 L612 L656 Y657 R662	L561-C660 HydrophobicContact CD1-CB 4.5Å; L612-C660 HydrophobicContact CD2-CB 3.78Å; L656-C660 WeakPolarHBondContact O-CB 3.23Å; L656-C660 PolarHBondContact O-N 3.27Å; Y657-C660 WeakPolarHBondContact O-CB 3.2Å; Y657-C660 PolarHBondContact O-N 2.89Å; C660-R662 PolarHBondContact O-N 3.03Å
661	P	70.7	Confident	68.5	Low	21 Å²	21	80.9 Å²	80.9	14%	0.136	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-58.7	131.1	-173.9	-27.6	37.9	0	0	0	112	L490 I494	L490-P661 HydrophobicContact CD1-CG 4.24Å; L490-P661 HydrophobicContact CD2-CB 4.36Å; L490-P661 HydrophobicContact CD2-CG 3.79Å; L490-P661 HydrophobicContact CG-CG 4.11Å; I494-P661 HydrophobicContact CD1-CG 3.39Å
662	R	66	Low	67.2	Low	76 Å²	76	81.8 Å²	81.8	29%	0.287	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-83.8	153.8	177.6	-61.1	-176.1	-171.5	-176.5	4.5	110	P604 K605 C660 N664 H665	P604-R662 PolarHBondContact O-NH1 2.92Å; K605-R662 PolarHBondContact O-NH1 2.84Å; C660-R662 PolarHBondContact O-N 3.03Å; R662-N664 PolarHBondContact O-N 3.14Å; R662-H665 PolarHBondContact O-N 2.74Å
663	P	52.8	Low	65.7	Low	77 Å²	77	85.7 Å²	85.7	50%	0.5	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-48.9	-34.8	-175.9	-28.4	34.2	0	0	0	114.5	H665	P663-H665 VanDerWaalsContact C-N 3.34Å; P663-H665 PolarHBondContact O-N 2.78Å
664	N	45.9	Very low	64	Low	145 Å²	145	90.4 Å²	90.4	78%	0.775	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-81.5	-8.3	-176	-61.9	-6.9	0	0	0	114.4	R662	R662-N664 PolarHBondContact O-N 3.14Å
665	H	43.5	Very low	62.3	Low	138 Å²	138	92.9 Å²	92.9	64%	0.639	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-93.6	-15.8	-176.2	-121.3	-69.5	0	0	0	113.9	R662 P663 K667	R662-H665 PolarHBondContact O-N 2.74Å; P663-H665 VanDerWaalsContact C-N 3.34Å; P663-H665 PolarHBondContact O-N 2.78Å; H665-K667 VanDerWaalsContact C-N 3.32Å
666	V	44.9	Very low	60.3	Low	13 Å²	13	95 Å²	95	8%	0.079	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-76.9	-21.6	-178.4	-176.5	0	0	0	0	111.9	Q569 S572 Y668 C669 I670	Q569-V666 HydrophobicContact CG-CG1 4.41Å; S572-V666 WeakPolarHBondContact OG-CG1 3.47Å; V666-Y668 PolarHBondContact O-N 2.99Å; V666-Y668 VanDerWaalsContact O-N 3.1Å; V666-C669 PolarHBondContact O-N 3.34Å; V666-I670 HydrophobicContact CG1-CD1 3.73Å; V666-I670 HydrophobicContact CG1-CG1 4.3Å
667	K	38.1	Very low	58	Low	174 Å²	174	101.3 Å²	101.3	76%	0.757	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-60.7	-21.1	-179.9	-128.4	179.3	-177	-177.8	0	114.2	H665	H665-K667 VanDerWaalsContact C-N 3.32Å
668	Y	40.1	Very low	55.6	Low	186 Å²	186	105.6 Å²	105.6	73%	0.729	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-104.2	-1.4	-177.8	-74.7	-77.9	0	0	0	114.9	V666	V666-Y668 PolarHBondContact O-N 2.99Å; V666-Y668 VanDerWaalsContact O-N 3.1Å
669	C	39.2	Very low	53	Low	109 Å²	109	106.1 Å²	106.1	74%	0.736	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-6.3	179.1	-79.8	0	0	0	0	114	V666	V666-C669 PolarHBondContact O-N 3.34Å
670	I	41.2	Very low	50	Low	104 Å²	104	105.8 Å²	105.8	53%	0.533	52%	0.521	S	S	.	.			trans	-103.8	-17.4	179.4	-62.8	179.8	0	0	0	111.7	I573 V666	I573-I670 HydrophobicContact CD1-CD1 4.04Å; I573-I670 HydrophobicContact CG1-CD1 4.03Å; V666-I670 HydrophobicContact CG1-CD1 3.73Å; V666-I670 HydrophobicContact CG1-CG1 4.3Å
671	Q	33	Very low	46.9	Very low	217 Å²	217	114.5 Å²	114.5	100%	1.014	56%	0.562	S	S	*	*			trans	-78.5	0	156.7	-74.8	-177.5	-27.8	0	0	108.7

Retrieved 671 of 671 residues in 178.1 ms (Link to these results)

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