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Squalene monooxygenase

Catalyzes the stereospecific oxidation of squalene to (S)-2,3-epoxysqualene, and is considered to be a rate-limiting enzyme in steroid biosynthesis.

AlphaFold DB , UniProt , Accession A0A060WN93, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110511248, Length 569 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	43.8	Very low	47.3	Very low	205 Å²	205	120.1 Å²	120.1	100%	1.01	63%	0.629	S	S	*	*				0	-45.4	0	-110	169.8	70.2	0	0	113	F4 L5	M1-F4 PolarHBondContact O-N 2.66Å; M1-L5 PolarHBondContact O-N 2.83Å
2	W	40.7	Very low	47.9	Very low	219 Å²	219	122.9 Å²	122.9	83%	0.83	63%	0.627	S	S	*	*	H	α-helix	trans	-71.6	-28	-178.4	-70.2	91	0	0	0	115.9	G6	W2-G6 PolarHBondContact O-N 3.32Å
3	T	43.9	Very low	48.3	Very low	111 Å²	111	121.4 Å²	121.4	68%	0.681	62%	0.619	S	S	*	*	H	α-helix	trans	-70.5	-31.8	174.6	41.7	0	0	0	0	113.2	I7	T3-I7 WeakPolarHBondContact O-CG1 3.37Å; T3-I7 PolarHBondContact O-N 2.71Å
4	F	45.3	Very low	48.1	Very low	171 Å²	171	122.9 Å²	122.9	75%	0.75	62%	0.615	S	S	*	*	H	α-helix	trans	-74.1	-35	177.9	-126.3	-91	0	0	0	112.2	M1 A8	M1-F4 PolarHBondContact O-N 2.66Å; F4-A8 WeakPolarHBondContact O-CB 3.22Å; F4-A8 PolarHBondContact O-N 2.87Å; F4-A8 VanDerWaalsContact O-N 3.12Å
5	L	46.5	Very low	48	Very low	109 Å²	109	125.7 Å²	125.7	57%	0.571	62%	0.622	S	S	*	*	H	α-helix	trans	-69.3	-38.7	176.4	-157.5	70.7	0	0	0	111.3	M1 A8 S9	M1-L5 PolarHBondContact O-N 2.83Å; L5-A8 PolarHBondContact O-N 2.9Å; L5-S9 WeakPolarHBondContact O-CB 3.49Å; L5-S9 PolarHBondContact O-N 2.78Å; L5-S9 PolarHBondContact O-OG 2.97Å
6	G	44.4	Very low	48	Very low	42 Å²	42	125.9 Å²	125.9	43%	0.433	62%	0.618	S	S	.	*	H	α-helix	trans	-64.6	-41.9	175.4	0	0	0	0	0	113.7	W2 S9 F10	W2-G6 PolarHBondContact O-N 3.32Å; G6-S9 PolarHBondContact O-N 3.36Å; G6-F10 WeakPolarHBondContact O-CB 3.2Å; G6-F10 PolarHBondContact O-N 3.41Å
7	I	55	Low	48	Very low	115 Å²	115	122.4 Å²	122.4	59%	0.59	61%	0.607	S	S	*	*	H	α-helix	trans	-69.2	-38.8	178.6	-65.8	167.4	0	0	0	111	T3 F10 T11	T3-I7 WeakPolarHBondContact O-CG1 3.37Å; T3-I7 PolarHBondContact O-N 2.71Å; I7-F10 PolarHBondContact O-N 3.29Å; I7-T11 PolarHBondContact O-N 2.82Å; I7-T11 PolarHBondContact O-OG1 2.97Å
8	A	51.6	Low	47.9	Very low	54 Å²	54	120.2 Å²	120.2	45%	0.446	60%	0.598	S	S	.	*	H	α-helix	trans	-67.3	-39.3	175.9	0	0	0	0	0	112.6	F4 L5 T11 Y12	F4-A8 WeakPolarHBondContact O-CB 3.22Å; F4-A8 PolarHBondContact O-N 2.87Å; F4-A8 VanDerWaalsContact O-N 3.12Å; L5-A8 PolarHBondContact O-N 2.9Å; A8-T11 WeakPolarHBondContact CA-OG1 3.41Å; A8-T11 PolarHBondContact O-OG1 2.83Å; A8-Y12 VanDerWaalsContact O-CB 3.29Å; A8-Y12 WeakPolarHBondContact O-CB 3.45Å; A8-Y12 PolarHBondContact O-N 3.26Å
9	S	50.8	Low	48.1	Very low	63 Å²	63	116.5 Å²	116.5	44%	0.441	59%	0.589	S	S	.	*	H	α-helix	trans	-68.7	-38.5	174.5	-62.3	0	0	0	0	112.4	L5 G6 Y12 I13	L5-S9 WeakPolarHBondContact O-CB 3.49Å; L5-S9 PolarHBondContact O-N 2.78Å; L5-S9 PolarHBondContact O-OG 2.97Å; G6-S9 PolarHBondContact O-N 3.36Å; S9-Y12 PolarHBondContact O-N 3.06Å; S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.23Å; S9-I13 PolarHBondContact O-N 2.9Å
10	F	46.8	Very low	48	Very low	148 Å²	148	115.6 Å²	115.6	65%	0.649	59%	0.589	S	S	*	*	H	α-helix	trans	-69.4	-41.4	177.6	-163.5	-93.5	0	0	0	112.1	G6 I7 I13 Y14	G6-F10 WeakPolarHBondContact O-CB 3.2Å; G6-F10 PolarHBondContact O-N 3.41Å; I7-F10 PolarHBondContact O-N 3.29Å; F10-I13 PolarHBondContact O-N 3.19Å; F10-Y14 VanDerWaalsContact O-CB 3.22Å; F10-Y14 WeakPolarHBondContact O-CB 3.39Å; F10-Y14 PolarHBondContact O-N 2.97Å
11	T	51.3	Low	47.8	Very low	84 Å²	84	115 Å²	115	52%	0.515	59%	0.587	S	S	.	*	H	α-helix	trans	-66.8	-35.8	173.2	32.6	0	0	0	0	112.3	I7 A8 K15	I7-T11 PolarHBondContact O-N 2.82Å; I7-T11 PolarHBondContact O-OG1 2.97Å; A8-T11 WeakPolarHBondContact CA-OG1 3.41Å; A8-T11 PolarHBondContact O-OG1 2.83Å; T11-K15 VanDerWaalsContact O-CB 3.24Å; T11-K15 WeakPolarHBondContact O-CB 3.41Å; T11-K15 PolarHBondContact O-N 2.91Å
12	Y	54.4	Low	48	Very low	154 Å²	154	111.2 Å²	111.2	60%	0.604	57%	0.567	S	S	*	*	H	α-helix	trans	-64.6	-42.8	174.5	-177.2	-96.8	0	0	0	112.4	A8 S9 K16	A8-Y12 VanDerWaalsContact O-CB 3.29Å; A8-Y12 WeakPolarHBondContact O-CB 3.45Å; A8-Y12 PolarHBondContact O-N 3.26Å; S9-Y12 PolarHBondContact O-N 3.06Å; Y12-K16 HydrophobicContact CE1-CD 4.34Å; Y12-K16 WeakPolarHBondContact O-CB 3.45Å; Y12-K16 PolarHBondContact O-N 2.84Å; Y12-K16 VanDerWaalsContact O-N 3.07Å
13	I	52.8	Low	48.3	Very low	103 Å²	103	108.5 Å²	108.5	53%	0.528	56%	0.557	S	S	.	*	H	α-helix	trans	-68.4	-44.3	176.5	-68.1	168.6	0	0	0	110.8	S9 F10 K15 K16 C17	S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.23Å; S9-I13 PolarHBondContact O-N 2.9Å; F10-I13 PolarHBondContact O-N 3.19Å; I13-K15 PolarHBondContact O-N 3.36Å; I13-K16 PolarHBondContact O-N 3Å; I13-C17 WeakPolarHBondContact O-CB 3.37Å; I13-C17 PolarHBondContact O-N 2.97Å; I13-C17 PolarHBondContact O-SG 2.87Å
14	Y	46.6	Very low	48.5	Very low	142 Å²	142	105.2 Å²	105.2	56%	0.557	54%	0.542	S	S	*	.	H	α-helix	trans	-60	-45.4	176.9	-172.5	-88.5	0	0	0	111.8	F10 K16 C17 D18	F10-Y14 VanDerWaalsContact O-CB 3.22Å; F10-Y14 WeakPolarHBondContact O-CB 3.39Å; F10-Y14 PolarHBondContact O-N 2.97Å; Y14-K16 VanDerWaalsContact C-N 3.33Å; Y14-K16 PolarHBondContact O-N 3.38Å; Y14-C17 PolarHBondContact O-N 2.65Å; Y14-D18 WeakPolarHBondContact CE1-OD2 3.44Å; Y14-D18 PolarHBondContact O-N 2.84Å
15	K	46.6	Very low	48.7	Very low	166 Å²	166	102.6 Å²	102.6	72%	0.722	53%	0.531	S	S	*	.	H	α-helix	trans	-67.4	-30.7	178	-141.7	177.9	-170.1	-179	0	112.9	T11 I13 A19	T11-K15 VanDerWaalsContact O-CB 3.24Å; T11-K15 WeakPolarHBondContact O-CB 3.41Å; T11-K15 PolarHBondContact O-N 2.91Å; I13-K15 PolarHBondContact O-N 3.36Å; K15-A19 PolarHBondContact O-N 3.44Å
16	K	48	Very low	49	Very low	129 Å²	129	103.2 Å²	103.2	56%	0.561	53%	0.529	S	S	*	.	H	α-helix	trans	-75.9	-33.6	172	-109.8	-163.3	173.9	-172.2	0	112.5	Y12 I13 Y14 A19 V20	Y12-K16 HydrophobicContact CE1-CD 4.34Å; Y12-K16 WeakPolarHBondContact O-CB 3.45Å; Y12-K16 PolarHBondContact O-N 2.84Å; Y12-K16 VanDerWaalsContact O-N 3.07Å; I13-K16 PolarHBondContact O-N 3Å; Y14-K16 VanDerWaalsContact C-N 3.33Å; Y14-K16 PolarHBondContact O-N 3.38Å; K16-A19 PolarHBondContact O-N 2.86Å; K16-V20 VanDerWaalsContact O-CG2 3.23Å; K16-V20 WeakPolarHBondContact O-CG2 3.15Å; K16-V20 PolarHBondContact O-N 3.09Å
17	C	46.9	Very low	49.4	Very low	65 Å²	65	106.7 Å²	106.7	44%	0.439	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-40.1	174.9	-78.5	0	0	0	0	112.2	I13 Y14 A19 V20 L21	I13-C17 WeakPolarHBondContact O-CB 3.37Å; I13-C17 PolarHBondContact O-N 2.97Å; I13-C17 PolarHBondContact O-SG 2.87Å; Y14-C17 PolarHBondContact O-N 2.65Å; C17-A19 VanDerWaalsContact C-N 3.34Å; C17-A19 PolarHBondContact O-N 3.4Å; C17-V20 PolarHBondContact O-N 2.88Å; C17-L21 WeakPolarHBondContact O-CB 3.28Å; C17-L21 PolarHBondContact O-N 3.17Å
18	D	46.3	Very low	49.5	Very low	83 Å²	83	106.3 Å²	106.3	44%	0.444	53%	0.532	S	S	.	.	H	α-helix	trans	-61.9	-40.6	172.8	-95.8	-20.3	0	0	0	111.9	Y14 V20 L21 E22	Y14-D18 WeakPolarHBondContact CE1-OD2 3.44Å; Y14-D18 PolarHBondContact O-N 2.84Å; D18-V20 VanDerWaalsContact C-N 3.33Å; D18-V20 PolarHBondContact O-N 2.86Å; D18-L21 PolarHBondContact O-N 3.47Å; D18-E22 PolarHBondContact O-N 3.01Å
19	A	51.6	Low	49.8	Very low	50 Å²	50	108.8 Å²	108.8	41%	0.413	54%	0.537	S	S	.	.	H	α-helix	trans	-66.1	-33.9	174.8	0	0	0	0	0	112.8	K15 K16 C17 Y23	K15-A19 PolarHBondContact O-N 3.44Å; K16-A19 PolarHBondContact O-N 2.86Å; C17-A19 VanDerWaalsContact C-N 3.34Å; C17-A19 PolarHBondContact O-N 3.4Å; A19-Y23 WeakPolarHBondContact O-CB 3.37Å; A19-Y23 PolarHBondContact O-N 3.48Å
20	V	46.8	Very low	50	Low	99 Å²	99	110 Å²	110	60%	0.6	54%	0.538	S	S	*	.	H	α-helix	trans	-73.6	-35	174.8	170.3	0	0	0	0	111.4	K16 C17 D18 Y23 A24	K16-V20 VanDerWaalsContact O-CG2 3.23Å; K16-V20 WeakPolarHBondContact O-CG2 3.15Å; K16-V20 PolarHBondContact O-N 3.09Å; C17-V20 PolarHBondContact O-N 2.88Å; D18-V20 VanDerWaalsContact C-N 3.33Å; D18-V20 PolarHBondContact O-N 2.86Å; V20-Y23 PolarHBondContact O-N 2.93Å; V20-A24 WeakPolarHBondContact O-CB 3.4Å; V20-A24 PolarHBondContact O-N 3.35Å
21	L	43.3	Very low	50.5	Low	102 Å²	102	104.9 Å²	104.9	53%	0.534	52%	0.523	S	S	.	.	H	α-helix	trans	-68.4	-39.8	173.3	-103.1	121.5	0	0	0	112.1	C17 D18 A24 H25	C17-L21 WeakPolarHBondContact O-CB 3.28Å; C17-L21 PolarHBondContact O-N 3.17Å; D18-L21 PolarHBondContact O-N 3.47Å; L21-A24 PolarHBondContact O-N 2.97Å; L21-H25 WeakPolarHBondContact O-CB 3.38Å; L21-H25 PolarHBondContact O-N 3.26Å
22	E	48.7	Very low	50.8	Low	127 Å²	127	103.1 Å²	103.1	59%	0.593	52%	0.517	S	S	*	.	H	α-helix	trans	-64	-41.4	172.1	-100.5	-167.9	145.5	0	0	112.2	D18 H25 K26	D18-E22 PolarHBondContact O-N 3.01Å; E22-H25 PolarHBondContact O-N 3.39Å; E22-K26 WeakPolarHBondContact O-CG 3.43Å; E22-K26 PolarHBondContact O-N 2.97Å; E22-K26 VanDerWaalsContact O-N 3.08Å
23	Y	46.3	Very low	51.5	Low	161 Å²	161	99.2 Å²	99.2	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-68.5	-41.3	176.3	-125.2	-88.1	0	0	0	111.8	A19 V20 H25 K26 E27	A19-Y23 WeakPolarHBondContact O-CB 3.37Å; A19-Y23 PolarHBondContact O-N 3.48Å; V20-Y23 PolarHBondContact O-N 2.93Å; Y23-H25 VanDerWaalsContact C-N 3.34Å; Y23-H25 PolarHBondContact O-N 2.91Å; Y23-K26 PolarHBondContact O-N 3.32Å; Y23-E27 HydrophobicContact CD1-CG 4.3Å; Y23-E27 WeakPolarHBondContact O-CB 3.46Å; Y23-E27 VanDerWaalsContact O-CG 3.25Å; Y23-E27 WeakPolarHBondContact O-CG 3.43Å; Y23-E27 PolarHBondContact O-N 3.48Å
24	A	49.1	Very low	52.5	Low	43 Å²	43	98.1 Å²	98.1	36%	0.355	51%	0.507	S	S	.	.	H	α-helix	trans	-63.7	-38.3	175.7	0	0	0	0	0	111.6	V20 L21 E27 I28	V20-A24 WeakPolarHBondContact O-CB 3.4Å; V20-A24 PolarHBondContact O-N 3.35Å; L21-A24 PolarHBondContact O-N 2.97Å; A24-E27 PolarHBondContact O-N 3.29Å; A24-I28 VanDerWaalsContact O-CB 3.28Å; A24-I28 WeakPolarHBondContact O-CB 3.36Å; A24-I28 WeakPolarHBondContact O-CD1 3.38Å; A24-I28 WeakPolarHBondContact O-CG1 3.37Å; A24-I28 PolarHBondContact O-N 3.05Å
25	H	48.7	Very low	53.5	Low	115 Å²	115	98.2 Å²	98.2	53%	0.532	51%	0.511	S	S	.	.	H	α-helix	trans	-65.2	-40	172.7	-90.1	-29.6	0	0	0	112.6	L21 E22 Y23 I28 I29	L21-H25 WeakPolarHBondContact O-CB 3.38Å; L21-H25 PolarHBondContact O-N 3.26Å; E22-H25 PolarHBondContact O-N 3.39Å; Y23-H25 VanDerWaalsContact C-N 3.34Å; Y23-H25 PolarHBondContact O-N 2.91Å; H25-I28 PolarHBondContact O-N 3.11Å; H25-I29 WeakPolarHBondContact O-CB 3.47Å; H25-I29 WeakPolarHBondContact O-CD1 3.37Å; H25-I29 WeakPolarHBondContact O-CG1 3.39Å; H25-I29 PolarHBondContact O-N 3.48Å
26	K	52.3	Low	54.4	Low	122 Å²	122	94.3 Å²	94.3	53%	0.53	50%	0.498	S	S	.	.	H	α-helix	trans	-66.8	-41.6	175.7	-73.1	174.3	-177.1	171.5	0	112.4	E22 Y23 I29 L30	E22-K26 WeakPolarHBondContact O-CG 3.43Å; E22-K26 PolarHBondContact O-N 2.97Å; E22-K26 VanDerWaalsContact O-N 3.08Å; Y23-K26 PolarHBondContact O-N 3.32Å; K26-I29 PolarHBondContact O-N 3.14Å; K26-L30 WeakPolarHBondContact O-CB 3.4Å; K26-L30 PolarHBondContact O-N 3.45Å
27	E	53.8	Low	55.4	Low	116 Å²	116	90.5 Å²	90.5	54%	0.542	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-40.7	175.3	-71.3	-93.5	152.2	0	0	111.7	Y23 A24 L30 A31	Y23-E27 HydrophobicContact CD1-CG 4.3Å; Y23-E27 WeakPolarHBondContact O-CB 3.46Å; Y23-E27 VanDerWaalsContact O-CG 3.25Å; Y23-E27 WeakPolarHBondContact O-CG 3.43Å; Y23-E27 PolarHBondContact O-N 3.48Å; A24-E27 PolarHBondContact O-N 3.29Å; E27-L30 PolarHBondContact O-N 3.16Å; E27-A31 WeakPolarHBondContact O-CB 3.28Å; E27-A31 PolarHBondContact O-N 2.74Å
28	I	56.2	Low	56.7	Low	106 Å²	106	90.5 Å²	90.5	54%	0.544	49%	0.488	S	S	.	.	H	α-helix	trans	-68.2	-41	176.4	-70.4	165.1	0	0	0	111.1	A24 H25 A32	A24-I28 VanDerWaalsContact O-CB 3.28Å; A24-I28 WeakPolarHBondContact O-CB 3.36Å; A24-I28 WeakPolarHBondContact O-CD1 3.38Å; A24-I28 WeakPolarHBondContact O-CG1 3.37Å; A24-I28 PolarHBondContact O-N 3.05Å; H25-I28 PolarHBondContact O-N 3.11Å; I28-A32 VanDerWaalsContact O-CB 3.26Å; I28-A32 WeakPolarHBondContact O-CB 3.29Å; I28-A32 PolarHBondContact O-N 3.23Å
29	I	57.9	Low	57.6	Low	106 Å²	106	88 Å²	88	54%	0.544	48%	0.482	S	S	.	.	H	α-helix	trans	-66.4	-44.1	175.4	-70	165.4	0	0	0	110.1	H25 K26 A32 V33	H25-I29 WeakPolarHBondContact O-CB 3.47Å; H25-I29 WeakPolarHBondContact O-CD1 3.37Å; H25-I29 WeakPolarHBondContact O-CG1 3.39Å; H25-I29 PolarHBondContact O-N 3.48Å; K26-I29 PolarHBondContact O-N 3.14Å; I29-A32 PolarHBondContact O-N 2.93Å; I29-V33 HydrophobicContact CG2-CG2 4.41Å; I29-V33 WeakPolarHBondContact O-CB 3.4Å; I29-V33 VanDerWaalsContact O-CG2 3.24Å; I29-V33 WeakPolarHBondContact O-CG2 3.47Å; I29-V33 PolarHBondContact O-N 3.42Å
30	L	56.6	Low	58.4	Low	89 Å²	89	91.9 Å²	91.9	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-63.7	-43.4	177	-172.6	69.7	0	0	0	111	K26 E27 V33 V34	K26-L30 WeakPolarHBondContact O-CB 3.4Å; K26-L30 PolarHBondContact O-N 3.45Å; E27-L30 PolarHBondContact O-N 3.16Å; L30-V33 PolarHBondContact O-N 3.15Å; L30-V34 WeakPolarHBondContact O-CB 3.39Å; L30-V34 VanDerWaalsContact O-CG2 3.24Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 2.85Å
31	A	57.1	Low	59.2	Low	40 Å²	40	91.8 Å²	91.8	33%	0.331	49%	0.489	S	S	.	.	H	α-helix	trans	-60.9	-46.4	173.7	0	0	0	0	0	110.8	E27 V33 V34 F35	E27-A31 WeakPolarHBondContact O-CB 3.28Å; E27-A31 PolarHBondContact O-N 2.74Å; A31-V33 VanDerWaalsContact C-N 3.34Å; A31-V33 PolarHBondContact O-N 3.31Å; A31-V34 PolarHBondContact O-N 2.65Å; A31-F35 HydrophobicContact CB-CD2 4.35Å; A31-F35 HydrophobicContact CB-CE2 4.41Å; A31-F35 WeakPolarHBondContact O-CB 3.47Å; A31-F35 WeakPolarHBondContact O-CD2 3.34Å; A31-F35 PolarHBondContact O-N 2.9Å
32	A	56.7	Low	60.1	Low	48 Å²	48	91.9 Å²	91.9	40%	0.397	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-40.9	176.9	0	0	0	0	0	112.3	I28 I29 F35 L36	I28-A32 VanDerWaalsContact O-CB 3.26Å; I28-A32 WeakPolarHBondContact O-CB 3.29Å; I28-A32 PolarHBondContact O-N 3.23Å; I29-A32 PolarHBondContact O-N 2.93Å; A32-F35 PolarHBondContact O-N 2.73Å; A32-L36 VanDerWaalsContact O-CB 3.3Å; A32-L36 WeakPolarHBondContact O-CB 3.38Å; A32-L36 WeakPolarHBondContact O-CD1 3.34Å; A32-L36 VanDerWaalsContact O-CG 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.36Å; A32-L36 PolarHBondContact O-N 2.94Å
33	V	69.7	Low	60.9	Low	71 Å²	71	89.4 Å²	89.4	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-66.7	-43	175.9	170.3	0	0	0	0	111.2	I29 L30 A31 L36 A37	I29-V33 HydrophobicContact CG2-CG2 4.41Å; I29-V33 WeakPolarHBondContact O-CB 3.4Å; I29-V33 VanDerWaalsContact O-CG2 3.24Å; I29-V33 WeakPolarHBondContact O-CG2 3.47Å; I29-V33 PolarHBondContact O-N 3.42Å; L30-V33 PolarHBondContact O-N 3.15Å; A31-V33 VanDerWaalsContact C-N 3.34Å; A31-V33 PolarHBondContact O-N 3.31Å; V33-L36 PolarHBondContact O-N 2.86Å; V33-A37 VanDerWaalsContact O-CB 3.3Å; V33-A37 WeakPolarHBondContact O-CB 3.31Å; V33-A37 PolarHBondContact O-N 3.23Å
34	V	73.6	Confident	61.7	Low	80 Å²	80	87.7 Å²	87.7	49%	0.485	48%	0.479	S	S	.	.	H	α-helix	trans	-64.2	-43	175.4	170	0	0	0	0	110.6	L30 A31 A37 V38	L30-V34 WeakPolarHBondContact O-CB 3.39Å; L30-V34 VanDerWaalsContact O-CG2 3.24Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 2.85Å; A31-V34 PolarHBondContact O-N 2.65Å; V34-A37 PolarHBondContact O-N 3.01Å; V34-V38 HydrophobicContact CG1-CG2 4.31Å; V34-V38 WeakPolarHBondContact O-CB 3.47Å; V34-V38 WeakPolarHBondContact O-CG2 3.25Å; V34-V38 PolarHBondContact O-N 3.4Å
35	F	67.6	Low	62.4	Low	144 Å²	144	90 Å²	90	63%	0.632	49%	0.489	S	S	*	.	H	α-helix	trans	-65.7	-38.6	176.1	-82.3	-64.7	0	0	0	112.4	A31 A32 G39	A31-F35 HydrophobicContact CB-CD2 4.35Å; A31-F35 HydrophobicContact CB-CE2 4.41Å; A31-F35 WeakPolarHBondContact O-CB 3.47Å; A31-F35 WeakPolarHBondContact O-CD2 3.34Å; A31-F35 PolarHBondContact O-N 2.9Å; A32-F35 PolarHBondContact O-N 2.73Å; F35-G39 PolarHBondContact O-N 2.99Å
36	L	65.8	Low	62.9	Low	85 Å²	85	94.6 Å²	94.6	45%	0.445	50%	0.501	S	S	.	.	H	α-helix	trans	-64.2	-44.9	172.8	-81.1	164.4	0	0	0	111.5	A32 V33 G39 M40 F557	A32-L36 VanDerWaalsContact O-CB 3.3Å; A32-L36 WeakPolarHBondContact O-CB 3.38Å; A32-L36 WeakPolarHBondContact O-CD1 3.34Å; A32-L36 VanDerWaalsContact O-CG 3.25Å; A32-L36 WeakPolarHBondContact O-CG 3.36Å; A32-L36 PolarHBondContact O-N 2.94Å; V33-L36 PolarHBondContact O-N 2.86Å; L36-G39 PolarHBondContact O-N 2.68Å; L36-M40 WeakPolarHBondContact O-CG 3.33Å; L36-M40 PolarHBondContact O-N 2.94Å; L36-F557 HydrophobicContact CD2-CE2 3.88Å; L36-F557 HydrophobicContact CD2-CZ 3.47Å; L36-F557 VanDerWaalsContact CD2-CZ 3.47Å
37	A	69.3	Low	62.8	Low	48 Å²	48	98.3 Å²	98.3	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-43.9	178.3	0	0	0	0	0	111.9	V33 V34 M40 L41	V33-A37 VanDerWaalsContact O-CB 3.3Å; V33-A37 WeakPolarHBondContact O-CB 3.31Å; V33-A37 PolarHBondContact O-N 3.23Å; V34-A37 PolarHBondContact O-N 3.01Å; A37-M40 PolarHBondContact O-N 2.8Å; A37-L41 WeakPolarHBondContact O-CB 3.45Å; A37-L41 PolarHBondContact O-N 3.23Å
38	V	73.3	Confident	62.9	Low	66 Å²	66	98.2 Å²	98.2	40%	0.4	51%	0.513	S	S	.	.	H	α-helix	trans	-66.3	-40.2	175.6	171.6	0	0	0	0	110.9	V34 L41 L42	V34-V38 HydrophobicContact CG1-CG2 4.31Å; V34-V38 WeakPolarHBondContact O-CB 3.47Å; V34-V38 WeakPolarHBondContact O-CG2 3.25Å; V34-V38 PolarHBondContact O-N 3.4Å; V38-L41 PolarHBondContact O-N 2.95Å; V38-L42 HydrophobicContact CG1-CD1 3.71Å; V38-L42 HydrophobicContact CG1-CG 4.18Å; V38-L42 WeakPolarHBondContact O-CB 3.24Å; V38-L42 VanDerWaalsContact O-CG 3.28Å; V38-L42 WeakPolarHBondContact O-CG 3.46Å; V38-L42 PolarHBondContact O-N 2.83Å
39	G	64.4	Low	62.6	Low	31 Å²	31	95.7 Å²	95.7	32%	0.32	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-44.7	174.6	0	0	0	0	0	112.6	F35 L36 S43	F35-G39 PolarHBondContact O-N 2.99Å; L36-G39 PolarHBondContact O-N 2.68Å; G39-S43 VanDerWaalsContact O-CB 3.27Å; G39-S43 WeakPolarHBondContact O-CB 3.16Å; G39-S43 PolarHBondContact O-N 2.9Å
40	M	70.3	Confident	62.1	Low	131 Å²	131	99.3 Å²	99.3	65%	0.645	53%	0.528	S	S	*	.	H	α-helix	trans	-64.2	-42.4	174.2	-73.4	-157.6	-66.3	0	0	111.9	L36 A37 S43 Y44	L36-M40 WeakPolarHBondContact O-CG 3.33Å; L36-M40 PolarHBondContact O-N 2.94Å; A37-M40 PolarHBondContact O-N 2.8Å; M40-S43 PolarHBondContact O-N 2.96Å; M40-Y44 WeakPolarHBondContact O-CB 3.42Å; M40-Y44 PolarHBondContact O-N 2.76Å
41	L	61.8	Low	61.3	Low	97 Å²	97	100.8 Å²	100.8	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-64.4	-46.3	179	-167.7	77.9	0	0	0	111.8	A37 V38 Y44 V45	A37-L41 WeakPolarHBondContact O-CB 3.45Å; A37-L41 PolarHBondContact O-N 3.23Å; V38-L41 PolarHBondContact O-N 2.95Å; L41-Y44 PolarHBondContact O-N 3.42Å; L41-V45 WeakPolarHBondContact O-CB 3.36Å; L41-V45 VanDerWaalsContact O-CG2 3.24Å; L41-V45 WeakPolarHBondContact O-CG2 3.48Å; L41-V45 PolarHBondContact O-N 3.01Å
42	L	63.6	Low	60.7	Low	103 Å²	103	107.4 Å²	107.4	54%	0.539	56%	0.562	S	S	.	*	H	α-helix	trans	-66.9	-37.8	178.6	-71	172.6	0	0	0	111.9	V38 R46	V38-L42 HydrophobicContact CG1-CD1 3.71Å; V38-L42 HydrophobicContact CG1-CG 4.18Å; V38-L42 WeakPolarHBondContact O-CB 3.24Å; V38-L42 VanDerWaalsContact O-CG 3.28Å; V38-L42 WeakPolarHBondContact O-CG 3.46Å; V38-L42 PolarHBondContact O-N 2.83Å; L42-R46 WeakPolarHBondContact O-CB 3.2Å; L42-R46 PolarHBondContact O-N 3.17Å; L42-R46 VanDerWaalsContact O-N 3.1Å
43	S	64.6	Low	59.8	Low	76 Å²	76	113.7 Å²	113.7	53%	0.531	58%	0.58	S	S	.	*	H	α-helix	trans	-66.5	-40	174.4	-168	0	0	0	0	111.6	G39 M40 R46 Y47	G39-S43 VanDerWaalsContact O-CB 3.27Å; G39-S43 WeakPolarHBondContact O-CB 3.16Å; G39-S43 PolarHBondContact O-N 2.9Å; M40-S43 PolarHBondContact O-N 2.96Å; S43-R46 PolarHBondContact O-N 2.83Å; S43-Y47 WeakPolarHBondContact O-CB 3.4Å; S43-Y47 PolarHBondContact O-N 2.91Å; S43-Y47 VanDerWaalsContact O-N 3.15Å
44	Y	64.6	Low	58.8	Low	124 Å²	124	116.5 Å²	116.5	49%	0.486	60%	0.598	S	S	.	*	H	α-helix	trans	-65.8	-46.2	177	-177.6	-95.7	0	0	0	112	M40 L41 R46 Y47 H48 I57	M40-Y44 WeakPolarHBondContact O-CB 3.42Å; M40-Y44 PolarHBondContact O-N 2.76Å; L41-Y44 PolarHBondContact O-N 3.42Å; Y44-R46 VanDerWaalsContact C-N 3.3Å; Y44-R46 PolarHBondContact O-N 3.46Å; Y44-Y47 PolarHBondContact O-N 3.09Å; Y44-Y47 VanDerWaalsContact O-N 3.17Å; Y44-H48 AromaticContact CE2-CD2 3.77Å; Y44-H48 PolarHBondContact O-N 2.86Å; Y44-I57 HydrophobicContact CE1-CD1 4.25Å
45	V	63.3	Low	57.4	Low	93 Å²	93	117.5 Å²	117.5	56%	0.564	61%	0.605	S	S	*	*	H	α-helix	trans	-62.1	-37.1	177.6	169.8	0	0	0	0	111.8	L41	L41-V45 WeakPolarHBondContact O-CB 3.36Å; L41-V45 VanDerWaalsContact O-CG2 3.24Å; L41-V45 WeakPolarHBondContact O-CG2 3.48Å; L41-V45 PolarHBondContact O-N 3.01Å
46	R	59.2	Low	56.2	Low	211 Å²	211	118.2 Å²	118.2	80%	0.796	61%	0.611	S	S	*	*	H	α-helix	trans	-71.1	-30.9	176.7	-172.2	175.7	178.8	124.2	0.7	112.9	L42 S43 Y44	L42-R46 WeakPolarHBondContact O-CB 3.2Å; L42-R46 PolarHBondContact O-N 3.17Å; L42-R46 VanDerWaalsContact O-N 3.1Å; S43-R46 PolarHBondContact O-N 2.83Å; Y44-R46 VanDerWaalsContact C-N 3.3Å; Y44-R46 PolarHBondContact O-N 3.46Å
47	Y	50.6	Low	55.5	Low	199 Å²	199	119.3 Å²	119.3	78%	0.78	62%	0.616	S	S	*	*	H	α-helix	trans	-87	-28.2	-176	-150.2	-91.8	0	0	0	113.3	S43 Y44	S43-Y47 WeakPolarHBondContact O-CB 3.4Å; S43-Y47 PolarHBondContact O-N 2.91Å; S43-Y47 VanDerWaalsContact O-N 3.15Å; Y44-Y47 PolarHBondContact O-N 3.09Å; Y44-Y47 VanDerWaalsContact O-N 3.17Å
48	H	55.6	Low	54.3	Low	114 Å²	114	123.2 Å²	123.2	53%	0.528	63%	0.63	S	S	.	*	S	Bend	trans	-108.6	31.3	-179.1	-87.1	-67.7	0	0	0	114	Y44 H50	Y44-H48 AromaticContact CE2-CD2 3.77Å; Y44-H48 PolarHBondContact O-N 2.86Å; H48-H50 PolarHBondContact O-N 3.14Å
49	G	49.3	Very low	52.9	Low	54 Å²	54	126.1 Å²	126.1	56%	0.557	64%	0.639	S	S	*	*			trans	-50.2	109	173.3	0	0	0	0	0	111.3
50	H	48.3	Very low	52.1	Low	182 Å²	182	131.5 Å²	131.5	84%	0.843	66%	0.66	S	S	*	*	S	Bend	trans	80.7	83.6	-175.5	-55.3	-83.1	0	0	0	116.2	H48	H48-H50 PolarHBondContact O-N 3.14Å
51	T	39.2	Very low	51.1	Low	120 Å²	120	128.7 Å²	128.7	74%	0.736	65%	0.651	S	S	*	*				177.5	123.7	117.6	29.9	0	0	0	0	112.8
52	F	44.1	Very low	50.2	Low	179 Å²	179	129 Å²	129	79%	0.785	65%	0.653	S	S	*	*			trans	74.1	129.5	149.2	-81.6	-94.1	0	0	0	125.2
53	K	38	Very low	49.4	Very low	179 Å²	179	131.2 Å²	131.2	78%	0.778	66%	0.66	S	S	*	*			trans	32.9	110.3	146.5	-66.4	-178.2	-175.9	-179.2	0	122.6
54	V	48.6	Very low	48.5	Very low	131 Å²	131	133.4 Å²	133.4	79%	0.794	67%	0.665	S	S	*	*			trans	-66.9	111.2	161.6	178.5	0	0	0	0	109.9
55	P	43.2	Very low	47.5	Very low	100 Å²	100	132.6 Å²	132.6	65%	0.649	67%	0.669	S	S	*	*	S	Bend		-150.1	8.1	104.3	30.3	-8.2	0	0	0	117.3
56	Q	44.3	Very low	46.5	Very low	159 Å²	159	134.7 Å²	134.7	74%	0.743	68%	0.676	S	S	*	*	S	Bend	trans	-95.6	-11.6	-174.2	-76.4	173.4	-21	0	0	115.7
57	I	49.7	Very low	45.9	Very low	108 Å²	108	128.9 Å²	128.9	55%	0.554	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-9.7	-176.3	-67.6	172.4	0	0	0	113.1	Y44 Q59 P61	Y44-I57 HydrophobicContact CE1-CD1 4.25Å; I57-Q59 VanDerWaalsContact C-N 3.3Å; I57-Q59 PolarHBondContact O-N 2.74Å; I57-P61 VanDerWaalsContact O-CD 3.26Å; I57-P61 WeakPolarHBondContact O-CD 3.26Å
58	L	44.9	Very low	45.6	Very low	131 Å²	131	124.9 Å²	124.9	69%	0.686	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-8.3	172.9	-97.5	134.7	0	0	0	113.7	L62	L58-L62 WeakPolarHBondContact O-CB 3.44Å
59	Q	42.9	Very low	44.9	Very low	127 Å²	127	125.6 Å²	125.6	59%	0.593	67%	0.674	S	S	*	*	H	α-helix	trans	-82.7	-33.9	-179.3	-84.2	-177.3	-35.8	0	0	113.9	I57 L62 E63	I57-Q59 VanDerWaalsContact C-N 3.3Å; I57-Q59 PolarHBondContact O-N 2.74Å; Q59-L62 PolarHBondContact O-N 2.68Å; Q59-E63 PolarHBondContact O-N 3.32Å
60	L	47.9	Very low	44.8	Very low	144 Å²	144	128.7 Å²	128.7	75%	0.754	68%	0.682	S	S	*	*	H	α-helix	trans	-70.6	-42.2	-177.1	-113.5	92.3	0	0	0	114.8	L62 L64	L60-L62 VanDerWaalsContact C-N 3.25Å; L60-L62 PolarHBondContact O-N 3.12Å; L60-L64 PolarHBondContact O-N 3.15Å
61	P	49.3	Very low	44.4	Very low	71 Å²	71	127.3 Å²	127.3	46%	0.461	68%	0.679	S	S	.	*	H	α-helix	trans	-68.6	-28.9	175.7	-16.6	30	0	0	0	112	I57 L65	I57-P61 VanDerWaalsContact O-CD 3.26Å; I57-P61 WeakPolarHBondContact O-CD 3.26Å; P61-L65 WeakPolarHBondContact O-CG 3.34Å; P61-L65 PolarHBondContact O-N 3.25Å; P61-L65 VanDerWaalsContact O-N 3.14Å
62	L	43.1	Very low	44.2	Very low	104 Å²	104	129.6 Å²	129.6	55%	0.545	69%	0.687	S	S	.	*	H	α-helix	trans	-75.5	-37.9	-178	-160.8	73.2	0	0	0	112	L58 Q59 L60 L65 L66	L58-L62 WeakPolarHBondContact O-CB 3.44Å; Q59-L62 PolarHBondContact O-N 2.68Å; L60-L62 VanDerWaalsContact C-N 3.25Å; L60-L62 PolarHBondContact O-N 3.12Å; L62-L65 PolarHBondContact O-N 3.08Å; L62-L66 WeakPolarHBondContact O-CD1 3.3Å; L62-L66 VanDerWaalsContact O-CG 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 2.99Å; L62-L66 VanDerWaalsContact O-N 3.14Å
63	E	46.3	Very low	43.8	Very low	149 Å²	149	126.1 Å²	126.1	70%	0.696	68%	0.68	S	S	*	*	H	α-helix	trans	-68.6	-33.8	172.5	-74.7	-158.5	168.5	0	0	112.7	Q59 L66 S67	Q59-E63 PolarHBondContact O-N 3.32Å; E63-L66 PolarHBondContact O-N 2.99Å; E63-S67 PolarHBondContact O-N 2.91Å
64	L	46	Very low	43.6	Very low	123 Å²	123	126.8 Å²	126.8	64%	0.644	68%	0.683	S	S	*	*	H	α-helix	trans	-66.5	-39.2	174.9	-148.4	86.9	0	0	0	111.5	L60 L66 S67	L60-L64 PolarHBondContact O-N 3.15Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L64-S67 PolarHBondContact O-N 2.69Å; L64-S67 PolarHBondContact O-OG 3.42Å
65	L	42.9	Very low	42.8	Very low	107 Å²	107	128.3 Å²	128.3	56%	0.56	69%	0.685	S	S	*	*	H	α-helix	trans	-67.9	-29.4	175.5	-83.7	160.8	0	0	0	113.2	P61 L62 S67	P61-L65 WeakPolarHBondContact O-CG 3.34Å; P61-L65 PolarHBondContact O-N 3.25Å; P61-L65 VanDerWaalsContact O-N 3.14Å; L62-L65 PolarHBondContact O-N 3.08Å; L65-S67 VanDerWaalsContact C-N 3.35Å
66	L	43.8	Very low	42.1	Very low	137 Å²	137	129 Å²	129	72%	0.717	69%	0.69	S	S	*	*	H	α-helix	trans	-81.8	-9.8	178.3	-72.9	165.5	0	0	0	114	L62 E63 L64 L68	L62-L66 WeakPolarHBondContact O-CD1 3.3Å; L62-L66 VanDerWaalsContact O-CG 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 2.99Å; L62-L66 VanDerWaalsContact O-N 3.14Å; E63-L66 PolarHBondContact O-N 2.99Å; L64-L66 VanDerWaalsContact C-N 3.34Å; L66-L68 VanDerWaalsContact C-N 3.35Å
67	S	46.8	Very low	41.3	Very low	88 Å²	88	131.1 Å²	131.1	62%	0.615	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	0.4	179.4	71.7	0	0	0	0	114.6	E63 L64 L65	E63-S67 PolarHBondContact O-N 2.91Å; L64-S67 PolarHBondContact O-N 2.69Å; L64-S67 PolarHBondContact O-OG 3.42Å; L65-S67 VanDerWaalsContact C-N 3.35Å
68	L	42.9	Very low	40.5	Very low	115 Å²	115	132 Å²	132	60%	0.602	71%	0.71	S	S	*	*	S	Bend	trans	-91.6	132.7	177.9	-69.6	166.5	0	0	0	110.9	L66 V70	L66-L68 VanDerWaalsContact C-N 3.35Å; L68-V70 PolarHBondContact O-N 3.46Å
69	P	42.3	Very low	39.6	Very low	129 Å²	129	131.4 Å²	131.4	84%	0.838	72%	0.716	S	S	*	*	S	Bend	trans	-82.7	51.5	-172.6	35.4	-35.9	0	0	0	112.2
70	V	46.9	Very low	38.8	Very low	119 Å²	119	130 Å²	130	72%	0.721	73%	0.726	S	S	*	*			trans	-153.2	84.7	166.6	-173.6	0	0	0	0	107.8	L68	L68-V70 PolarHBondContact O-N 3.46Å
71	I	38.7	Very low	37.9	Very low	153 Å²	153	130 Å²	130	79%	0.785	73%	0.732	S	S	*	*			trans	179.4	86	148	-82.1	141.8	0	0	0	103.7
72	N	35	Very low	36.8	Very low	169 Å²	169	131.8 Å²	131.8	90%	0.904	75%	0.746	S	S	*	*			trans	-133.7	53.2	170.4	-142	9.5	0	0	0	109.1
73	T	37.3	Very low	36	Very low	105 Å²	105	135.7 Å²	135.7	64%	0.644	76%	0.761	S	S	*	*	S	Bend	trans	-147.6	130.8	166	48.6	0	0	0	0	105.3
74	F	32	Very low	35	Very low	193 Å²	193	140.2 Å²	140.2	85%	0.846	77%	0.772	S	S	*	*	S	Bend	trans	89	75.9	-174.4	-53	-75.3	0	0	0	115.8
75	I	32.2	Very low	34	Very low	163 Å²	163	139.9 Å²	139.9	84%	0.836	78%	0.78	S	S	*	*				162.4	142	115.4	-79.2	159.6	0	0	0	109.4
76	P	29.4	Very low	33.1	Very low	115 Å²	115	138.6 Å²	138.6	75%	0.747	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-85.2	150.1	-162.2	3.4	15.9	0	0	0	113.9
77	K	28	Very low	32.3	Very low	204 Å²	204	141.3 Å²	141.3	89%	0.887	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-73.6	142.6	170.3	-72.8	179.7	176.1	177	0	111.9
78	P	31.2	Very low	31.3	Very low	126 Å²	126	143.2 Å²	143.2	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-101.4	154.3	151.2	19.1	-1.3	0	0	0	112.3
79	S	26.2	Very low	30.6	Very low	118 Å²	118	142.3 Å²	142.3	83%	0.825	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-85.4	167.9	-162.1	40.1	0	0	0	0	115.9
80	A	27.3	Very low	29.9	Very low	97 Å²	97	141.3 Å²	141.3	80%	0.802	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-57.5	150.5	-179	0	0	0	0	0	115.8
81	V	28.3	Very low	29	Very low	146 Å²	146	145.4 Å²	145.4	89%	0.885	83%	0.828	S	S	*	*			trans	-139.8	151	155.8	-178.5	0	0	0	0	109.5
82	S	26.1	Very low	28.5	Very low	108 Å²	108	148.2 Å²	148.2	76%	0.755	83%	0.834	S	S	*	*			trans	-91.2	166.6	-148.3	49.5	0	0	0	0	117.5
83	H	25.9	Very low	28.2	Very low	185 Å²	185	144 Å²	144	86%	0.856	83%	0.831	S	S	*	*			trans	-35	145.7	162.4	-83.4	-87.3	0	0	0	116.6
84	R	25.7	Very low	27.6	Very low	244 Å²	244	143.1 Å²	143.1	92%	0.921	84%	0.843	S	S	*	*				-151.7	143.2	127.9	-108.9	176.7	-166.2	-162.4	3.5	113
85	S	24.6	Very low	27.5	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	84%	0.843	S	S	*	*			trans	-72.8	156	-176.9	46.6	0	0	0	0	114.8
86	G	25.7	Very low	27.3	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	85%	0.849	S	S	*	*			trans	-163.3	100	161.2	0	0	0	0	0	111.2
87	E	25.7	Very low	27.3	Very low	195 Å²	195	148.8 Å²	148.8	91%	0.911	86%	0.859	S	S	*	*			trans	-70.5	148.2	167.9	-67.4	174.9	136.8	0	0	111.3
88	S	27.1	Very low	27.4	Very low	128 Å²	128	148.6 Å²	148.6	90%	0.895	86%	0.858	S	S	*	*				-175.5	150.3	118	57.2	0	0	0	0	111.4
89	A	28.1	Very low	27.3	Very low	96 Å²	96	149.9 Å²	149.9	79%	0.793	86%	0.856	S	S	*	*			trans	-103.2	166.1	-160.6	0	0	0	0	0	114.6
90	S	25.8	Very low	27.4	Very low	107 Å²	107	150.3 Å²	150.3	75%	0.748	85%	0.854	S	S	*	*			trans	79.4	117.8	143.4	-164.9	0	0	0	0	119.6
91	K	28.8	Very low	27.3	Very low	205 Å²	205	151.3 Å²	151.3	89%	0.891	85%	0.853	S	S	*	*				-164.3	122.8	108.9	-104.2	169.7	-176.8	176.8	0	112.3
92	K	29.2	Very low	27.3	Very low	212 Å²	212	149.7 Å²	149.7	92%	0.922	85%	0.849	S	S	*	*			trans	-72.3	142.5	166.4	-77.4	175.5	172.5	176	0	110.2
93	G	27.5	Very low	27.5	Very low	80 Å²	80	150.6 Å²	150.6	83%	0.825	86%	0.855	S	S	*	*			trans	-137.3	108.2	161.8	0	0	0	0	0	109.2
94	G	25.4	Very low	27.5	Very low	87 Å²	87	145.4 Å²	145.4	90%	0.897	85%	0.851	S	S	*	*			trans	-82.1	138.1	177.3	0	0	0	0	0	111.8
95	G	28.5	Very low	27.7	Very low	83 Å²	83	142.5 Å²	142.5	86%	0.856	85%	0.85	S	S	*	*			trans	-124.8	101.3	171.6	0	0	0	0	0	110.2
96	R	28.9	Very low	27.9	Very low	254 Å²	254	146 Å²	146	96%	0.958	85%	0.854	S	S	*	*			trans	-84.2	124.8	174.6	-143.5	175.5	-174.8	166.8	-0.3	107.4
97	R	30.3	Very low	28	Very low	254 Å²	254	147.2 Å²	147.2	96%	0.958	85%	0.85	S	S	*	*			trans	-124.6	123.8	165.7	-95.2	-173.5	-179.9	165.4	0.8	112
98	K	28.9	Very low	28.5	Very low	200 Å²	200	144.1 Å²	144.1	87%	0.87	85%	0.847	S	S	*	*			trans	-47.7	138.3	179.5	-85.9	164.9	165.6	179.7	0	115.2
99	I	28.3	Very low	28.9	Very low	152 Å²	152	143.8 Å²	143.8	78%	0.779	84%	0.842	S	S	*	*			trans	-67.6	134.3	153	-66.1	162.1	0	0	0	108.5
100	V	28.5	Very low	29	Very low	128 Å²	128	143.8 Å²	143.8	78%	0.776	84%	0.842	S	S	*	*			trans	-132.5	111.8	161.2	176.3	0	0	0	0	106.9
101	C	25.5	Very low	29.6	Very low	117 Å²	117	144.1 Å²	144.1	79%	0.791	85%	0.851	S	S	*	*			trans	-85.6	134.6	163.5	-68	0	0	0	0	108.3
102	S	29	Very low	29.6	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	84%	0.84	S	S	*	*			trans	-124.5	112.4	160.5	59.3	0	0	0	0	108.9
103	S	29.6	Very low	29.8	Very low	126 Å²	126	135.3 Å²	135.3	88%	0.881	84%	0.839	S	S	*	*			trans	-68.9	138.6	168.5	49.1	0	0	0	0	111.6
104	G	27.2	Very low	30.3	Very low	76 Å²	76	135.8 Å²	135.8	78%	0.784	83%	0.83	S	S	*	*			trans	-162.3	89.3	171.7	0	0	0	0	0	113.2
105	M	29	Very low	30.8	Very low	183 Å²	183	138 Å²	138	90%	0.901	83%	0.828	S	S	*	*			trans	32.6	114.4	145.9	-130.9	99.4	153.3	0	0	120.2
106	E	28.1	Very low	31.4	Very low	190 Å²	190	138 Å²	138	89%	0.888	82%	0.82	S	S	*	*			trans	-75.6	145.3	160.5	-72.7	173.5	149.9	0	0	112
107	S	29	Very low	32.5	Very low	106 Å²	106	131.1 Å²	131.1	74%	0.741	81%	0.811	S	S	*	*			trans	-152.3	128.6	158	-59.2	0	0	0	0	108.1
108	P	35.7	Very low	34.5	Very low	129 Å²	129	126.1 Å²	126.1	84%	0.838	80%	0.798	S	S	*	*			trans	-92.4	156.8	-170.1	35.9	-32.8	0	0	0	112.2
109	P	35.8	Very low	37.4	Very low	121 Å²	121	122 Å²	122	79%	0.786	78%	0.782	S	S	*	*			trans	-120.1	127.1	151.5	27.5	-11.3	0	0	0	112.9
110	A	30.6	Very low	40.7	Very low	97 Å²	97	115.3 Å²	115.3	80%	0.802	75%	0.749	S	S	*	*			trans	51.8	106.1	138.4	0	0	0	0	0	119.5	G112	A110-G112 PolarHBondContact O-N 3.32Å
111	A	37.7	Very low	43.9	Very low	113 Å²	113	110.8 Å²	110.8	93%	0.934	72%	0.72	S	S	*	*			trans	-59	119.2	157	0	0	0	0	0	110.7
112	G	29.6	Very low	47.4	Very low	64 Å²	64	105.2 Å²	105.2	66%	0.66	68%	0.682	S	S	*	*			trans	-151.9	71	168.6	0	0	0	0	0	107.5	A110 S114	A110-G112 PolarHBondContact O-N 3.32Å; G112-S114 PolarHBondContact O-N 2.92Å
113	D	33.1	Very low	50.7	Low	168 Å²	168	99.8 Å²	99.8	90%	0.898	65%	0.645	S	S	*	*			trans	-67.3	83.3	172.6	-95.2	-14.1	0	0	0	109.1
114	S	36.9	Very low	54	Low	91 Å²	91	93.8 Å²	93.8	64%	0.636	60%	0.603	S	S	*	*	S	Bend	trans	-68.6	146.8	134.4	-56.5	0	0	0	0	106.2	G112 A116	G112-S114 PolarHBondContact O-N 2.92Å; S114-A116 PolarHBondContact O-N 3.2Å
115	P	36.3	Very low	57.5	Low	133 Å²	133	90.5 Å²	90.5	86%	0.864	57%	0.568	S	S	*	*			trans	-65.5	91.6	178.1	27.7	-31	0	0	0	107.7	S117	P115-S117 PolarHBondContact O-N 2.91Å
116	A	41.5	Very low	60.8	Low	82 Å²	82	82.1 Å²	82.1	68%	0.678	53%	0.528	S	S	*	.			trans	-57.3	111.3	167	0	0	0	0	0	104.5	S114 Q118	S114-A116 PolarHBondContact O-N 3.2Å; A116-Q118 PolarHBondContact O-N 3.16Å
117	S	52.2	Low	64.1	Low	111 Å²	111	73.1 Å²	73.1	78%	0.776	49%	0.486	S	S	*	.			trans	-53.7	104.7	176.1	51.1	0	0	0	0	107.1	P115 E119	P115-S117 PolarHBondContact O-N 2.91Å; S117-E119 PolarHBondContact O-N 3.39Å
118	Q	71.7	Confident	67.4	Low	149 Å²	149	69.2 Å²	69.2	70%	0.696	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-54.5	130.6	179.6	-72.3	-178.3	-9.2	0	0	108.3	A116	A116-Q118 PolarHBondContact O-N 3.16Å
119	E	89.9	Confident	70.4	Confident	112 Å²	112	64 Å²	64	52%	0.523	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-55.9	136.3	-178.8	-68.9	-177.9	165.3	0	0	110.5	S117 R144	S117-E119 PolarHBondContact O-N 3.39Å; E119-R144 PolarHBondContact O-NE 2.99Å; E119-R144 PolarHBondContact O-NH2 3.47Å
120	P	97.3	Very high	73.4	Confident	12 Å²	12	58.7 Å²	58.7	8%	0.078	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-67.2	148.7	177.9	28.3	-33.6	0	0	0	110.7	V122 I123 T146 V271 H272 A273	P120-V122 VanDerWaalsContact C-N 3.31Å; P120-I123 HydrophobicContact CG-CG1 4.09Å; P120-T146 WeakPolarHBondContact CB-OG1 3.41Å; P120-V271 HydrophobicContact CG-CG2 3.75Å; P120-H272 WeakPolarHBondContact CD-O 3.43Å; P120-A273 HydrophobicContact CG-CB 4.33Å; P120-A273 WeakPolarHBondContact O-CA 3.46Å; P120-A273 VanDerWaalsContact O-CB 3.24Å; P120-A273 WeakPolarHBondContact O-CB 3.39Å
121	D	97.4	Very high	76.6	Confident	33 Å²	33	54 Å²	54	18%	0.176	36%	0.355	C	S	.	.	S	Bend	trans	-73.9	-31.2	171.7	-54.9	-50.2	0	0	0	110.7	R143 R144 V275 L436	D121-R143 WeakPolarHBondContact OD2-CA 3.27Å; D121-R144 PolarHBondContact N-O 3.36Å; D121-R144 IonicContact OD1-CZ 3.87Å; D121-R144 IonicContact OD1-NH1 3.82Å; D121-R144 IonicContact OD1-NH2 3.98Å; D121-R144 PolarHBondContact OD1-NH2 3.25Å; D121-R144 IonicContact OD2-CZ 2.65Å; D121-R144 PolarHBondContact OD2-N 3.49Å; D121-R144 IonicContact OD2-NH1 2.73Å; D121-R144 IonicContact OD2-NH2 3.34Å; D121-V275 PolarHBondContact O-N 3.29Å; D121-L436 HydrophobicContact CB-CD1 4.35Å
122	V	98.6	Very high	79.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130	-176.5	-175.3	0	0	0	0	111	P120 I124 L138 R144 V145 T146 V275 V277 M430 L436	P120-V122 VanDerWaalsContact C-N 3.31Å; V122-I124 HydrophobicContact CG1-CG1 4.02Å; V122-L138 HydrophobicContact CG1-CD1 4.24Å; V122-L138 HydrophobicContact CG2-CD1 4.33Å; V122-R144 PolarHBondContact N-O 2.76Å; V122-V145 WeakPolarHBondContact O-CA 3.49Å; V122-T146 PolarHBondContact O-N 3.44Å; V122-V275 WeakPolarHBondContact CA-O 3.28Å; V122-V277 HydrophobicContact CG1-CG2 3.85Å; V122-M430 HydrophobicContact CG2-CE 3.94Å; V122-L436 HydrophobicContact CG2-CD1 3.6Å
123	I	98.8	Very high	82.8	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.7	166.2	-66.4	153.7	0	0	0	108.7	P120 V125 T146 I148 V258 V271 A273 V275 T276 V277	P120-I123 HydrophobicContact CG-CG1 4.09Å; I123-V125 HydrophobicContact CG2-CG2 4.47Å; I123-T146 CarbonylContact C-O 3.6Å; I123-T146 WeakPolarHBondContact CA-O 3.46Å; I123-I148 HydrophobicContact CG2-CD1 4.42Å; I123-V258 HydrophobicContact CG2-CG1 4.23Å; I123-V258 HydrophobicContact CG2-CG2 3.9Å; I123-V271 HydrophobicContact CD1-CB 4.33Å; I123-V271 HydrophobicContact CD1-CG1 3.81Å; I123-V271 HydrophobicContact CD1-CG2 4.04Å; I123-V271 WeakPolarHBondContact CD1-O 3.33Å; I123-V271 HydrophobicContact CG1-CG1 4.14Å; I123-V271 HydrophobicContact CG1-CG2 4.17Å; I123-A273 HydrophobicContact CB-CB 4.4Å; I123-A273 HydrophobicContact CD1-CB 3.52Å; I123-A273 HydrophobicContact CG1-CB 3.65Å; I123-V275 PolarHBondContact N-O 2.95Å; I123-T276 HydrophobicContact CG2-CG2 4.41Å; I123-T276 CarbonylContact O-C 3.11Å; I123-T276 WeakPolarHBondContact O-CA 3.27Å; I123-V277 PolarHBondContact O-N 3.07Å
124	I	98.9	Very high	85.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.4	174.3	-55.9	-177.1	0	0	0	109.4	V122 M134 A135 V145 T146 V147 I148 V277 A279	V122-I124 HydrophobicContact CG1-CG1 4.02Å; I124-M134 HydrophobicContact CD1-CB 4.14Å; I124-M134 HydrophobicContact CD1-CG 4.16Å; I124-A135 HydrophobicContact CD1-CB 3.94Å; I124-V145 HydrophobicContact CD1-CG1 3.65Å; I124-V145 HydrophobicContact CG1-CG1 3.94Å; I124-T146 PolarHBondContact N-O 3.24Å; I124-V147 HydrophobicContact CB-CG1 4.3Å; I124-V147 HydrophobicContact CB-CG2 4.18Å; I124-V147 HydrophobicContact CD1-CG2 4.45Å; I124-V147 HydrophobicContact CG2-CG1 4.38Å; I124-V147 CarbonylContact O-C 3.56Å; I124-V147 WeakPolarHBondContact O-CA 3.45Å; I124-I148 PolarHBondContact O-N 3.34Å; I124-V277 WeakPolarHBondContact CA-O 3.24Å; I124-V277 HydrophobicContact CG1-CB 4.18Å; I124-V277 HydrophobicContact CG1-CG2 4.43Å; I124-A279 HydrophobicContact CG2-CB 4.5Å
125	V	98.8	Very high	88.9	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	106.4	177.3	-175.9	0	0	0	0	109.3	I123 V245 V258 T276 V277 A279 D280 F286	I123-V125 HydrophobicContact CG2-CG2 4.47Å; V125-V245 HydrophobicContact CB-CG2 4.4Å; V125-V245 HydrophobicContact CG1-CB 3.9Å; V125-V245 HydrophobicContact CG1-CG1 4.35Å; V125-V245 HydrophobicContact CG1-CG2 3.68Å; V125-V245 HydrophobicContact CG2-CG1 4.38Å; V125-V245 HydrophobicContact CG2-CG2 4.08Å; V125-V258 HydrophobicContact CG2-CG1 4.08Å; V125-T276 HydrophobicContact CG2-CG2 4.09Å; V125-V277 PolarHBondContact N-O 3.47Å; V125-A279 CarbonylContact O-C 3.5Å; V125-A279 VanDerWaalsContact O-CA 3.28Å; V125-A279 WeakPolarHBondContact O-CA 3.35Å; V125-A279 WeakPolarHBondContact O-CB 3.31Å; V125-A279 PolarHBondContact O-N 3Å; V125-D280 HydrophobicContact CG1-CB 4.37Å; V125-D280 PolarHBondContact O-N 2.97Å; V125-F286 HydrophobicContact CG1-CE2 4.04Å
126	G	98.5	Very high	91.9	Very high	7 Å²	7	27.1 Å²	27.1	7%	0.072	17%	0.166	C	C	.	.			trans	100.2	121.5	179.4	0	0	0	0	0	113.4	G128 G131 I148 E149	G126-G128 VanDerWaalsContact C-N 3.34Å; G126-G128 PolarHBondContact O-N 3.35Å; G126-G131 WeakPolarHBondContact O-CA 3.5Å; G126-I148 WeakPolarHBondContact CA-O 3.34Å; G126-I148 PolarHBondContact N-O 3Å; G126-E149 WeakPolarHBondContact CA-OE2 3.41Å
127	A	98.4	Very high	94.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.008	13%	0.134	C	C	.	.			trans	-96.8	52.7	175.4	0	0	0	0	0	111.3	S132 V147 E149 R229 L240	A127-S132 PolarHBondContact O-OG 3.39Å; A127-V147 HydrophobicContact CB-CG1 3.76Å; A127-E149 HydrophobicContact CB-CB 3.61Å; A127-E149 HydrophobicContact CB-CG 3.91Å; A127-E149 PolarHBondContact N-OE2 3.28Å; A127-R229 HydrophobicContact CB-CG 4.28Å; A127-R229 PolarHBondContact O-NE 3.24Å; A127-R229 PolarHBondContact O-NH2 3.27Å; A127-L240 HydrophobicContact CB-CD1 4.12Å
128	G	98.1	Very high	96.8	Very high	24 Å²	24	18.1 Å²	18.1	25%	0.247	10%	0.097	C	C	.	.	S	Bend	trans	-83.8	-157	170.1	0	0	0	0	0	112.2	G126 L130 S132	G126-G128 VanDerWaalsContact C-N 3.34Å; G126-G128 PolarHBondContact O-N 3.35Å; G128-L130 PolarHBondContact O-N 3.02Å; G128-S132 VanDerWaalsContact O-CB 3.25Å; G128-S132 WeakPolarHBondContact O-CB 3.34Å; G128-S132 PolarHBondContact O-N 2.78Å; G128-S132 VanDerWaalsContact O-N 3.09Å; G128-S132 PolarHBondContact O-OG 3.45Å
129	V	98.4	Very high	98	Very high	18 Å²	18	11.2 Å²	11.2	11%	0.109	7%	0.066	C	C	.	.	H	α-helix	trans	-56.4	-53.1	176.8	179	0	0	0	0	111	A133 F224 I225 L228 M416 A419 L420	V129-A133 VanDerWaalsContact O-CB 3.29Å; V129-A133 WeakPolarHBondContact O-CB 3.39Å; V129-A133 PolarHBondContact O-N 3.24Å; V129-F224 HydrophobicContact CG1-CE1 4.32Å; V129-F224 HydrophobicContact CG2-CE1 4.16Å; V129-I225 HydrophobicContact CB-CD1 4.48Å; V129-I225 HydrophobicContact CG2-CD1 3.59Å; V129-L228 HydrophobicContact CB-CD1 4.36Å; V129-L228 HydrophobicContact CG1-CD1 4.23Å; V129-L228 HydrophobicContact CG2-CD1 4.49Å; V129-M416 HydrophobicContact CG1-CB 4.36Å; V129-M416 HydrophobicContact CG1-CG 4.42Å; V129-M416 HydrophobicContact CG2-CG 4.12Å; V129-M416 HydrophobicContact CG2-SD 3.99Å; V129-A419 HydrophobicContact CG1-CB 4.49Å; V129-L420 HydrophobicContact CG1-CD2 4.26Å; V129-L420 HydrophobicContact CG1-CG 4.36Å
130	L	98.6	Very high	98.4	Very high	10 Å²	10	10.3 Å²	10.3	5%	0.052	6%	0.058	C	C	.	.	H	α-helix	trans	-67.7	-51.7	-177.1	-171.3	143.6	0	0	0	112.2	G128 S132 A133 M134 V277 A279 L401 G402 A419 V423	G128-L130 PolarHBondContact O-N 3.02Å; L130-S132 PolarHBondContact O-N 3.37Å; L130-A133 PolarHBondContact O-N 3.27Å; L130-M134 HydrophobicContact CD2-CB 4.41Å; L130-M134 HydrophobicContact CD2-SD 4.12Å; L130-M134 VanDerWaalsContact O-CB 3.25Å; L130-M134 WeakPolarHBondContact O-CB 3.23Å; L130-M134 PolarHBondContact O-N 3.25Å; L130-V277 HydrophobicContact CD2-CG1 4.39Å; L130-A279 HydrophobicContact CB-CB 4.49Å; L130-A279 HydrophobicContact CD2-CB 3.72Å; L130-L401 HydrophobicContact CD1-CB 3.47Å; L130-L401 VanDerWaalsContact CD1-CB 3.47Å; L130-L401 HydrophobicContact CD2-CB 3.81Å; L130-L401 HydrophobicContact CD2-CD1 4.19Å; L130-L401 HydrophobicContact CG-CB 4.32Å; L130-G402 VanDerWaalsContact CD1-N 3.3Å; L130-A419 HydrophobicContact CB-CB 4.21Å; L130-A419 HydrophobicContact CD1-CB 4.17Å; L130-V423 HydrophobicContact CD1-CG2 4.45Å; L130-V423 HydrophobicContact CG-CG2 3.94Å
131	G	98.6	Very high	98.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.3	-41.3	-172.9	0	0	0	0	0	112.8	G126 A135	G126-G131 WeakPolarHBondContact O-CA 3.5Å; G131-A135 VanDerWaalsContact O-CB 3.24Å; G131-A135 WeakPolarHBondContact O-CB 3.43Å; G131-A135 PolarHBondContact O-N 3.2Å
132	S	98.7	Very high	98.4	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.007	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-43.2	177.1	-50.9	0	0	0	0	111.6	A127 G128 L130 A136	A127-S132 PolarHBondContact O-OG 3.39Å; G128-S132 VanDerWaalsContact O-CB 3.25Å; G128-S132 WeakPolarHBondContact O-CB 3.34Å; G128-S132 PolarHBondContact O-N 2.78Å; G128-S132 VanDerWaalsContact O-N 3.09Å; G128-S132 PolarHBondContact O-OG 3.45Å; L130-S132 PolarHBondContact O-N 3.37Å; S132-A136 PolarHBondContact O-N 3.22Å
133	A	98.8	Very high	98.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.7	-44	178.2	0	0	0	0	0	112.2	V129 L130 A136 V137 M176 L420	V129-A133 VanDerWaalsContact O-CB 3.29Å; V129-A133 WeakPolarHBondContact O-CB 3.39Å; V129-A133 PolarHBondContact O-N 3.24Å; L130-A133 PolarHBondContact O-N 3.27Å; A133-A136 PolarHBondContact O-N 3.44Å; A133-V137 WeakPolarHBondContact O-CG2 3.26Å; A133-V137 PolarHBondContact O-N 3.26Å; A133-M176 HydrophobicContact CB-SD 3.91Å; A133-L420 HydrophobicContact CB-CD2 3.89Å
134	M	98.7	Very high	98.3	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-40.7	178.4	-169.1	159.8	-177.5	0	0	111.7	I124 L130 V137 L138 V277 L399 L401 V423 W426 M430	I124-M134 HydrophobicContact CD1-CB 4.14Å; I124-M134 HydrophobicContact CD1-CG 4.16Å; L130-M134 HydrophobicContact CD2-CB 4.41Å; L130-M134 HydrophobicContact CD2-SD 4.12Å; L130-M134 VanDerWaalsContact O-CB 3.25Å; L130-M134 WeakPolarHBondContact O-CB 3.23Å; L130-M134 PolarHBondContact O-N 3.25Å; M134-V137 PolarHBondContact O-N 2.89Å; M134-L138 HydrophobicContact CE-CD1 3.83Å; M134-L138 HydrophobicContact CG-CD1 3.69Å; M134-L138 HydrophobicContact CG-CG 4.09Å; M134-L138 WeakPolarHBondContact O-CB 3.4Å; M134-L138 VanDerWaalsContact O-CG 3.25Å; M134-L138 WeakPolarHBondContact O-CG 3.45Å; M134-L138 PolarHBondContact O-N 3.18Å; M134-V277 HydrophobicContact CE-CG1 4.44Å; M134-V277 HydrophobicContact CE-CG2 3.88Å; M134-V277 HydrophobicContact SD-CG1 3.91Å; M134-V277 HydrophobicContact SD-CG2 4.28Å; M134-L399 HydrophobicContact CE-CD1 4.33Å; M134-L401 HydrophobicContact CE-CD1 4.14Å; M134-L401 HydrophobicContact SD-CD1 3.75Å; M134-V423 HydrophobicContact CB-CG1 4.33Å; M134-V423 HydrophobicContact CB-CG2 4.05Å; M134-W426 HydrophobicContact CE-CB 4.13Å; M134-W426 HydrophobicContact CE-CG 4.44Å; M134-M430 HydrophobicContact CE-SD 3.84Å
135	A	98.8	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.5	-50.6	176.3	0	0	0	0	0	111.9	I124 G131 V137 A139 V145 V147 A232 V238	I124-A135 HydrophobicContact CD1-CB 3.94Å; G131-A135 VanDerWaalsContact O-CB 3.24Å; G131-A135 WeakPolarHBondContact O-CB 3.43Å; G131-A135 PolarHBondContact O-N 3.2Å; A135-V137 PolarHBondContact O-N 2.8Å; A135-A139 VanDerWaalsContact O-CB 3.23Å; A135-A139 WeakPolarHBondContact O-CB 3.25Å; A135-A139 PolarHBondContact O-N 3.09Å; A135-V145 HydrophobicContact CB-CG1 4.11Å; A135-V147 HydrophobicContact CB-CG2 3.48Å; A135-V147 VanDerWaalsContact CB-CG2 3.48Å; A135-A232 HydrophobicContact CB-CB 4.19Å; A135-V238 HydrophobicContact CB-CG2 4.41Å
136	A	98.6	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.1	-49.4	-179.6	0	0	0	0	0	111.7	S132 A133 A139 R140 M176 A232 E235	S132-A136 PolarHBondContact O-N 3.22Å; A133-A136 PolarHBondContact O-N 3.44Å; A136-A139 PolarHBondContact O-N 3.01Å; A136-R140 VanDerWaalsContact O-CG 3.27Å; A136-R140 WeakPolarHBondContact O-CG 3.48Å; A136-R140 PolarHBondContact O-N 3.48Å; A136-M176 HydrophobicContact CB-CE 3.75Å; A136-M176 HydrophobicContact CB-SD 3.99Å; A136-A232 HydrophobicContact CB-CB 4.17Å; A136-E235 HydrophobicContact CB-CG 4.47Å
137	V	98.3	Very high	98.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-75.4	-33.3	-174.7	-58.8	0	0	0	0	114	A133 M134 A135 D141 L174 V423 R427	A133-V137 WeakPolarHBondContact O-CG2 3.26Å; A133-V137 PolarHBondContact O-N 3.26Å; M134-V137 PolarHBondContact O-N 2.89Å; A135-V137 PolarHBondContact O-N 2.8Å; V137-D141 PolarHBondContact O-N 3.2Å; V137-D141 VanDerWaalsContact O-N 3.13Å; V137-L174 HydrophobicContact CB-CD2 4.44Å; V137-L174 HydrophobicContact CG1-CB 3.99Å; V137-L174 HydrophobicContact CG1-CD2 3.68Å; V137-L174 HydrophobicContact CG1-CG 4.39Å; V137-L174 HydrophobicContact CG2-CD2 4.33Å; V137-V423 HydrophobicContact CG2-CG1 3.66Å; V137-R427 HydrophobicContact CB-CG 4.38Å; V137-R427 HydrophobicContact CG2-CB 4.29Å; V137-R427 HydrophobicContact CG2-CG 4.22Å
138	L	98.4	Very high	98.3	Very high	3 Å²	3	18.7 Å²	18.7	2%	0.016	10%	0.103	C	C	.	.	H	α-helix	trans	-68.6	-38	174.2	-69.5	-178.8	0	0	0	111.2	V122 M134 D141 G142 R143 V145 M430	V122-L138 HydrophobicContact CG1-CD1 4.24Å; V122-L138 HydrophobicContact CG2-CD1 4.33Å; M134-L138 HydrophobicContact CE-CD1 3.83Å; M134-L138 HydrophobicContact CG-CD1 3.69Å; M134-L138 HydrophobicContact CG-CG 4.09Å; M134-L138 WeakPolarHBondContact O-CB 3.4Å; M134-L138 VanDerWaalsContact O-CG 3.25Å; M134-L138 WeakPolarHBondContact O-CG 3.45Å; M134-L138 PolarHBondContact O-N 3.18Å; L138-D141 CarbonylContact O-C 3.6Å; L138-D141 PolarHBondContact O-N 3.44Å; L138-G142 PolarHBondContact O-N 3.13Å; L138-R143 HydrophobicContact CB-CB 4.23Å; L138-R143 HydrophobicContact CB-CG 4.3Å; L138-R143 WeakPolarHBondContact O-CB 3.11Å; L138-R143 PolarHBondContact O-N 3.27Å; L138-V145 HydrophobicContact CB-CG2 3.9Å; L138-M430 HydrophobicContact CD1-CE 4.32Å; L138-M430 HydrophobicContact CD1-SD 4.23Å; L138-M430 HydrophobicContact CD2-CB 4.27Å; L138-M430 HydrophobicContact CD2-CE 4.4Å; L138-M430 HydrophobicContact CD2-SD 3.94Å
139	A	98.2	Very high	98.3	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.033	10%	0.096	C	C	.	.	H	α-helix	trans	-64.6	-42.5	175.6	0	0	0	0	0	112.8	A135 A136 D141 G142 R143 V145 E235 N237 V238	A135-A139 VanDerWaalsContact O-CB 3.23Å; A135-A139 WeakPolarHBondContact O-CB 3.25Å; A135-A139 PolarHBondContact O-N 3.09Å; A136-A139 PolarHBondContact O-N 3.01Å; A139-D141 PolarHBondContact O-N 2.91Å; A139-G142 WeakPolarHBondContact O-CA 3.24Å; A139-G142 PolarHBondContact O-N 3.21Å; A139-R143 WeakPolarHBondContact CA-O 3.49Å; A139-V145 HydrophobicContact CB-CG2 4.49Å; A139-E235 HydrophobicContact CB-CB 3.77Å; A139-E235 HydrophobicContact CB-CG 4.26Å; A139-N237 HydrophobicContact CB-CB 4.07Å; A139-N237 PolarHBondContact O-ND2 3.33Å; A139-V238 HydrophobicContact CB-CG2 3.41Å; A139-V238 VanDerWaalsContact CB-CG2 3.41Å
140	R	97.8	Very high	98.3	Very high	93 Å²	93	24.9 Å²	24.9	35%	0.351	12%	0.118	S	C	.	.	H	α-helix	trans	-59.7	-33.7	172.3	-72.7	169.7	-172.7	178.7	-1.4	113.1	A136 G142 L174 G175 E235	A136-R140 VanDerWaalsContact O-CG 3.27Å; A136-R140 WeakPolarHBondContact O-CG 3.48Å; A136-R140 PolarHBondContact O-N 3.48Å; R140-G142 PolarHBondContact O-N 3.19Å; R140-L174 PolarHBondContact NH1-O 2.82Å; R140-G175 PolarHBondContact NH1-O 2.94Å; R140-E235 VanDerWaalsContact CG-CD 3.49Å; R140-E235 HydrophobicContact CG-CG 4.32Å; R140-E235 VanDerWaalsContact CG-OE2 3.28Å; R140-E235 WeakPolarHBondContact CG-OE2 3.12Å; R140-E235 IonicContact CZ-OE1 3.5Å; R140-E235 VanDerWaalsContact CZ-OE1 3.25Å; R140-E235 IonicContact NE-OE1 3.57Å; R140-E235 PolarHBondContact NE-OE1 3.33Å; R140-E235 IonicContact NE-OE2 2.64Å; R140-E235 IonicContact NH2-OE1 2.68Å; R140-E235 PolarHBondContact NH2-OE1 2.86Å
141	D	97.3	Very high	98.3	Very high	45 Å²	45	27.5 Å²	27.5	24%	0.241	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	8.6	176.5	-68.7	-13.9	0	0	0	112.3	V137 L138 A139 R427	V137-D141 PolarHBondContact O-N 3.2Å; V137-D141 VanDerWaalsContact O-N 3.13Å; L138-D141 CarbonylContact O-C 3.6Å; L138-D141 PolarHBondContact O-N 3.44Å; A139-D141 PolarHBondContact O-N 2.91Å; D141-R427 IonicContact OD1-CZ 2.76Å; D141-R427 IonicContact OD1-NE 3.47Å; D141-R427 PolarHBondContact OD1-NE 2.84Å; D141-R427 IonicContact OD1-NH2 2.91Å; D141-R427 PolarHBondContact OD1-NH2 3.44Å; D141-R427 WeakPolarHBondContact OD2-CG 3.46Å; D141-R427 IonicContact OD2-CZ 3.71Å; D141-R427 IonicContact OD2-NE 3.19Å; D141-R427 PolarHBondContact OD2-NE 2.98Å; D141-R427 IonicContact OD2-NH2 3.25Å
142	G	96.8	Very high	98.2	Very high	49 Å²	49	29.4 Å²	29.4	51%	0.505	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	6.5	169.2	0	0	0	0	0	115.9	L138 A139 R140	L138-G142 PolarHBondContact O-N 3.13Å; A139-G142 WeakPolarHBondContact O-CA 3.24Å; A139-G142 PolarHBondContact O-N 3.21Å; R140-G142 PolarHBondContact O-N 3.19Å
143	R	97.8	Very high	98.2	Very high	32 Å²	32	36.6 Å²	36.6	12%	0.121	17%	0.173	C	C	.	.			trans	-81.3	141.1	177.8	-56.7	-58.6	-177.5	171	0	111.7	D121 L138 A139 V145 N237 M430 I433 P434	D121-R143 WeakPolarHBondContact OD2-CA 3.27Å; L138-R143 HydrophobicContact CB-CB 4.23Å; L138-R143 HydrophobicContact CB-CG 4.3Å; L138-R143 WeakPolarHBondContact O-CB 3.11Å; L138-R143 PolarHBondContact O-N 3.27Å; A139-R143 WeakPolarHBondContact CA-O 3.49Å; R143-V145 HydrophobicContact CB-CG2 4.05Å; R143-N237 VanDerWaalsContact O-CB 3.28Å; R143-N237 WeakPolarHBondContact O-CB 3.38Å; R143-M430 PolarHBondContact NH2-O 3.31Å; R143-I433 PolarHBondContact NH2-O 2.98Å; R143-P434 PolarHBondContact NH1-O 3.49Å
144	R	98.1	Very high	98.1	Very high	91 Å²	91	41.7 Å²	41.7	34%	0.343	20%	0.197	S	C	.	.			trans	-78	118.3	164.3	-62.3	-175.2	-57.2	-71.4	-10.3	108.6	E119 D121 V122	E119-R144 PolarHBondContact O-NE 2.99Å; E119-R144 PolarHBondContact O-NH2 3.47Å; D121-R144 PolarHBondContact N-O 3.36Å; D121-R144 IonicContact OD1-CZ 3.87Å; D121-R144 IonicContact OD1-NH1 3.82Å; D121-R144 IonicContact OD1-NH2 3.98Å; D121-R144 PolarHBondContact OD1-NH2 3.25Å; D121-R144 IonicContact OD2-CZ 2.65Å; D121-R144 PolarHBondContact OD2-N 3.49Å; D121-R144 IonicContact OD2-NH1 2.73Å; D121-R144 IonicContact OD2-NH2 3.34Å; V122-R144 PolarHBondContact N-O 2.76Å
145	V	98.7	Very high	98	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.4	-174	-174.3	0	0	0	0	110.4	V122 I124 A135 L138 A139 R143 V147 N237 V238 T239	V122-V145 WeakPolarHBondContact O-CA 3.49Å; I124-V145 HydrophobicContact CD1-CG1 3.65Å; I124-V145 HydrophobicContact CG1-CG1 3.94Å; A135-V145 HydrophobicContact CB-CG1 4.11Å; L138-V145 HydrophobicContact CB-CG2 3.9Å; A139-V145 HydrophobicContact CB-CG2 4.49Å; R143-V145 HydrophobicContact CB-CG2 4.05Å; V145-V147 HydrophobicContact CG1-CG2 4.08Å; V145-N237 PolarHBondContact N-O 3.15Å; V145-V238 CarbonylContact O-C 3.52Å; V145-V238 WeakPolarHBondContact O-CA 3.27Å; V145-T239 PolarHBondContact O-N 2.98Å
146	T	98.8	Very high	97.8	Very high	13 Å²	13	48.8 Å²	48.8	8%	0.08	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124.7	169.4	-64.6	0	0	0	0	109.7	P120 V122 I123 I124 I148 T239 I241	P120-T146 WeakPolarHBondContact CB-OG1 3.41Å; V122-T146 PolarHBondContact O-N 3.44Å; I123-T146 CarbonylContact C-O 3.6Å; I123-T146 WeakPolarHBondContact CA-O 3.46Å; I124-T146 PolarHBondContact N-O 3.24Å; T146-I148 HydrophobicContact CG2-CG1 4.37Å; T146-T239 CarbonylContact C-O 3.49Å; T146-T239 WeakPolarHBondContact CA-O 3.25Å; T146-I241 HydrophobicContact CG2-CD1 3.6Å; T146-I241 HydrophobicContact CG2-CG1 4.18Å
147	V	98.8	Very high	97.6	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	177.5	-172	0	0	0	0	108.9	I124 A127 A135 V145 V238 T239 L240 I241	I124-V147 HydrophobicContact CB-CG1 4.3Å; I124-V147 HydrophobicContact CB-CG2 4.18Å; I124-V147 HydrophobicContact CD1-CG2 4.45Å; I124-V147 HydrophobicContact CG2-CG1 4.38Å; I124-V147 CarbonylContact O-C 3.56Å; I124-V147 WeakPolarHBondContact O-CA 3.45Å; A127-V147 HydrophobicContact CB-CG1 3.76Å; A135-V147 HydrophobicContact CB-CG2 3.48Å; A135-V147 VanDerWaalsContact CB-CG2 3.48Å; V145-V147 HydrophobicContact CG1-CG2 4.08Å; V147-V238 HydrophobicContact CG2-CG1 4.34Å; V147-T239 PolarHBondContact N-O 2.99Å; V147-L240 HydrophobicContact CB-CD1 3.61Å; V147-L240 HydrophobicContact CG1-CD1 3.75Å; V147-I241 PolarHBondContact O-N 2.78Å
148	I	98.8	Very high	97.3	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.3	177.4	-56.5	169.1	0	0	0	108.8	I123 I124 G126 T146 I241 G243 V245 V258 Y260 V271	I123-I148 HydrophobicContact CG2-CD1 4.42Å; I124-I148 PolarHBondContact O-N 3.34Å; G126-I148 WeakPolarHBondContact CA-O 3.34Å; G126-I148 PolarHBondContact N-O 3Å; T146-I148 HydrophobicContact CG2-CG1 4.37Å; I148-I241 WeakPolarHBondContact CA-O 3.43Å; I148-I241 HydrophobicContact CG1-CB 4.28Å; I148-G243 WeakPolarHBondContact CG2-O 3.5Å; I148-V245 HydrophobicContact CB-CG2 3.92Å; I148-V245 HydrophobicContact CD1-CG2 4.07Å; I148-V245 HydrophobicContact CG2-CG2 3.68Å; I148-V258 HydrophobicContact CD1-CG2 3.65Å; I148-Y260 HydrophobicContact CD1-CD1 3.69Å; I148-Y260 HydrophobicContact CD1-CE1 4.19Å; I148-Y260 HydrophobicContact CD1-CG 3.92Å; I148-Y260 HydrophobicContact CG2-CD2 4.4Å; I148-Y260 HydrophobicContact CG2-CG 4.37Å; I148-V271 HydrophobicContact CD1-CG1 3.89Å
149	E	98.6	Very high	96.7	Very high	21 Å²	21	54.7 Å²	54.7	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.7	180	171.9	55.9	-134.9	0	0	111.3	G126 A127 D151 L152 R229 I241 E242 G243	G126-E149 WeakPolarHBondContact CA-OE2 3.41Å; A127-E149 HydrophobicContact CB-CB 3.61Å; A127-E149 HydrophobicContact CB-CG 3.91Å; A127-E149 PolarHBondContact N-OE2 3.28Å; E149-D151 VanDerWaalsContact C-N 3.32Å; E149-D151 WeakPolarHBondContact CG-O 3.23Å; E149-D151 PolarHBondContact O-N 2.85Å; E149-D151 PolarHBondContact OE1-N 3.29Å; E149-L152 HydrophobicContact CB-CD2 3.76Å; E149-L152 HydrophobicContact CG-CD2 3.81Å; E149-R229 IonicContact OE1-NH2 3.55Å; E149-R229 IonicContact OE2-NH2 3.62Å; E149-I241 PolarHBondContact N-O 3.2Å; E149-E242 CarbonylContact O-C 3.6Å; E149-E242 VanDerWaalsContact O-CA 3.28Å; E149-E242 WeakPolarHBondContact O-CA 3.44Å; E149-G243 CarbonylContact C-O 3.6Å; E149-G243 PolarHBondContact O-N 2.95Å
150	R	97.6	Very high	96.4	Very high	152 Å²	152	55.8 Å²	55.8	57%	0.574	27%	0.273	S	S	*	.	S	Bend	trans	-67.1	-32.1	-177	61.1	171.9	-166.6	172.9	10.1	113.7	G243 K263	R150-G243 VanDerWaalsContact CA-O 3.25Å; R150-G243 WeakPolarHBondContact CA-O 3.43Å; R150-G243 PolarHBondContact N-O 3.34Å; R150-K263 PolarHBondContact O-NZ 3.38Å
151	D	97.8	Very high	96.4	Very high	64 Å²	64	51.5 Å²	51.5	34%	0.342	26%	0.257	S	S	.	.			trans	-146.9	110.7	-179.5	-164.6	0.3	0	0	0	111.1	E149 K153 R229 E242 K263	E149-D151 VanDerWaalsContact C-N 3.32Å; E149-D151 WeakPolarHBondContact CG-O 3.23Å; E149-D151 PolarHBondContact O-N 2.85Å; E149-D151 PolarHBondContact OE1-N 3.29Å; D151-K153 VanDerWaalsContact C-N 3.29Å; D151-K153 WeakPolarHBondContact OD1-CB 3.49Å; D151-K153 WeakPolarHBondContact OD1-CG 3.28Å; D151-K153 PolarHBondContact OD1-N 3.34Å; D151-R229 PolarHBondContact O-NH1 3.33Å; D151-R229 PolarHBondContact O-NH2 3.16Å; D151-E242 WeakPolarHBondContact CA-OE1 3.32Å; D151-K263 IonicContact OD1-NZ 3.59Å; D151-K263 PolarHBondContact OD1-NZ 2.89Å
152	L	97.4	Very high	96.5	Very high	41 Å²	41	49.9 Å²	49.9	22%	0.215	25%	0.249	C	C	.	.			trans	-82.4	-7.1	-179.9	-71.1	-177.4	0	0	0	113.3	E149 M226 R229 L240 E242	E149-L152 HydrophobicContact CB-CD2 3.76Å; E149-L152 HydrophobicContact CG-CD2 3.81Å; L152-M226 WeakPolarHBondContact O-CE 3.27Å; L152-R229 PolarHBondContact O-NH1 2.74Å; L152-L240 HydrophobicContact CD1-CD2 3.87Å; L152-L240 HydrophobicContact CD1-CG 3.93Å; L152-L240 HydrophobicContact CD2-CD1 3.96Å; L152-L240 HydrophobicContact CD2-CD2 3.51Å; L152-L240 HydrophobicContact CD2-CG 3.77Å; L152-L240 HydrophobicContact CG-CD2 4.35Å; L152-E242 HydrophobicContact CB-CG 4.32Å; L152-E242 HydrophobicContact CD1-CB 3.8Å; L152-E242 HydrophobicContact CD1-CG 4.18Å; L152-E242 HydrophobicContact CG-CB 4.03Å; L152-E242 HydrophobicContact CG-CG 3.87Å; L152-E242 PolarHBondContact N-OE1 2.81Å
153	K	98	Very high	96.5	Very high	152 Å²	152	47.6 Å²	47.6	66%	0.661	23%	0.225	S	C	*	.	S	Bend	trans	-66.8	163	172.7	-63.1	179.8	-178	-179.6	0	111.7	D151 P155 R229	D151-K153 VanDerWaalsContact C-N 3.29Å; D151-K153 WeakPolarHBondContact OD1-CB 3.49Å; D151-K153 WeakPolarHBondContact OD1-CG 3.28Å; D151-K153 PolarHBondContact OD1-N 3.34Å; K153-P155 WeakPolarHBondContact O-CD 3.45Å; K153-R229 PolarHBondContact O-NH1 2.97Å
154	E	98	Very high	96.5	Very high	107 Å²	107	46 Å²	46	50%	0.5	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-59.5	119.2	177.4	-175.8	171.4	160.5	0	0	110.7	G222 R223 M226	E154-G222 VanDerWaalsContact CG-C 3.47Å; E154-G222 VanDerWaalsContact CG-CA 3.49Å; E154-R223 VanDerWaalsContact OE1-CG 3.29Å; E154-R223 WeakPolarHBondContact OE1-CG 3.49Å; E154-R223 PolarHBondContact OE1-N 3.02Å; E154-M226 HydrophobicContact CB-CG 3.86Å; E154-M226 HydrophobicContact CB-SD 4.37Å; E154-M226 HydrophobicContact CG-CG 4.02Å
155	P	96.6	Very high	96.5	Very high	25 Å²	25	42 Å²	42	16%	0.162	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-77.2	129	-178.5	27.4	-31	0	0	0	111.6	K153 G222 I225	K153-P155 WeakPolarHBondContact O-CD 3.45Å; P155-G222 WeakPolarHBondContact O-CA 3.39Å; P155-G222 PolarHBondContact O-N 3.41Å; P155-I225 HydrophobicContact CG-CB 3.8Å; P155-I225 HydrophobicContact CG-CG1 3.88Å; P155-I225 HydrophobicContact CG-CG2 3.87Å
156	D	94.6	Very high	96.4	Very high	126 Å²	126	42 Å²	42	67%	0.674	21%	0.205	S	C	*	.			trans	-94.8	102.1	174.9	-175.8	23.8	0	0	0	110.7	R381	D156-R381 IonicContact OD1-CZ 3.77Å; D156-R381 IonicContact OD1-NH1 3.93Å; D156-R381 PolarHBondContact OD1-NH1 3.34Å; D156-R381 IonicContact OD1-NH2 3.41Å; D156-R381 IonicContact OD2-CZ 3.59Å; D156-R381 IonicContact OD2-NH1 2.63Å; D156-R381 PolarHBondContact OD2-NH1 3.16Å
157	R	92.8	Very high	96.4	Very high	90 Å²	90	41.4 Å²	41.4	34%	0.34	20%	0.201	S	C	.	.			trans	-140.5	155.8	-175.9	-61.3	-172.4	-178.5	-154.5	4.7	111.3
158	I	91.8	Very high	96.3	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	21%	0.206	C	C	.	.	S	Bend	trans	-99.8	3.6	179.5	65.5	170.9	0	0	0	114.4	L340 R381 M383	I158-L340 HydrophobicContact CD1-CD2 4.36Å; I158-R381 HydrophobicContact CD1-CB 3.99Å; I158-R381 WeakPolarHBondContact CD1-O 3.36Å; I158-R381 HydrophobicContact CG2-CB 3.77Å; I158-R381 HydrophobicContact CG2-CG 4.47Å; I158-M383 HydrophobicContact CD1-CB 4.31Å; I158-M383 HydrophobicContact CD1-CG 3.95Å; I158-M383 HydrophobicContact CG1-CB 4.4Å; I158-M383 HydrophobicContact CG1-CG 3.71Å
159	V	86.1	Confident	96.2	Very high	35 Å²	35	45.9 Å²	45.9	21%	0.212	22%	0.218	C	C	.	.	S	Bend	trans	-123.9	154.9	-178.6	-66.2	0	0	0	0	109.9	H221 M383	V159-H221 PolarHBondContact O-ND1 2.85Å; V159-M383 HydrophobicContact CG1-CB 4.06Å; V159-M383 HydrophobicContact CG1-CG 4.19Å; V159-M383 HydrophobicContact CG2-CE 4.17Å
160	G	93.3	Very high	96.2	Very high	26 Å²	26	45 Å²	45	27%	0.268	21%	0.214	S	C	.	.	S	Bend	trans	76.8	33.5	-177.5	0	0	0	0	0	113.2	H221 M416	G160-H221 PolarHBondContact O-ND1 3Å; G160-M416 WeakPolarHBondContact O-CE 3.19Å; G160-M416 VanDerWaalsContact O-SD 3.41Å
161	E	97.7	Very high	96.2	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.014	19%	0.187	C	C	.	.			trans	-104.3	-4.7	-178	-68.6	-176.4	142.4	0	0	113.1	A218 F219 H221 Y330 I332 R338	E161-A218 CarbonylContact O-C 3.54Å; E161-A218 WeakPolarHBondContact O-CA 3.42Å; E161-F219 VanDerWaalsContact CA-O 3.3Å; E161-F219 WeakPolarHBondContact CA-O 3.45Å; E161-F219 WeakPolarHBondContact CB-O 3.41Å; E161-F219 WeakPolarHBondContact CG-O 3.47Å; E161-F219 PolarHBondContact O-N 2.87Å; E161-H221 HydrophobicContact CG-CB 3.9Å; E161-Y330 HydrophobicContact CB-CE2 3.85Å; E161-I332 HydrophobicContact CB-CG2 4.03Å; E161-R338 IonicContact OE1-CZ 2.69Å; E161-R338 IonicContact OE1-NE 3.37Å; E161-R338 IonicContact OE1-NH2 3.75Å; E161-R338 PolarHBondContact OE1-NH2 2.99Å; E161-R338 WeakPolarHBondContact OE2-CG 3.49Å; E161-R338 IonicContact OE2-CZ 3.93Å; E161-R338 IonicContact OE2-NE 3.65Å; E161-R338 PolarHBondContact OE2-NE 2.87Å; E161-R338 IonicContact OE2-NH2 3.97Å; E161-R338 PolarHBondContact OE2-NH2 3.45Å
162	L	97.8	Very high	96.2	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.7	176	-179.5	67.7	0	0	0	110	V188 Y191 A218 Y330 M416	L162-V188 HydrophobicContact CD1-CB 4.32Å; L162-V188 HydrophobicContact CD1-CG2 3.75Å; L162-Y191 HydrophobicContact CD2-CE1 4.26Å; L162-Y191 VanDerWaalsContact CD2-OH 3.24Å; L162-Y191 WeakPolarHBondContact CD2-OH 3.39Å; L162-A218 HydrophobicContact CD1-CB 3.81Å; L162-Y330 HydrophobicContact CB-CD2 4.43Å; L162-Y330 HydrophobicContact CB-CE2 4.28Å; L162-M416 WeakPolarHBondContact O-CE 3.29Å
163	L	98.1	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.5	175.5	-174.3	62.9	0	0	0	109.8	Y168 L171 G216 R217 F219 M416 L420	L163-Y168 HydrophobicContact CD2-CD2 4.32Å; L163-L171 HydrophobicContact CD2-CD2 4.25Å; L163-G216 VanDerWaalsContact O-CA 3.25Å; L163-G216 WeakPolarHBondContact O-CA 3.28Å; L163-R217 PolarHBondContact N-O 3.06Å; L163-R217 PolarHBondContact O-N 3.2Å; L163-F219 HydrophobicContact CB-CE1 3.96Å; L163-F219 HydrophobicContact CB-CZ 3.94Å; L163-M416 HydrophobicContact CB-CE 4Å; L163-M416 HydrophobicContact CD1-CB 3.83Å; L163-M416 HydrophobicContact CD1-CE 4.17Å; L163-L420 HydrophobicContact CD1-CD1 3.99Å
164	Q	98	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.176	C	C	.	.			trans	-61.1	152.7	176.9	-66.5	-65.9	-11.3	0	0	111.5	G166 G167 Y168 Y191 Y206 T412 S417 V506	Q164-G166 VanDerWaalsContact C-N 3.28Å; Q164-G166 PolarHBondContact O-N 2.89Å; Q164-G167 WeakPolarHBondContact O-CA 3.14Å; Q164-G167 PolarHBondContact O-N 3.29Å; Q164-Y168 PolarHBondContact O-N 3.45Å; Q164-Y191 PolarHBondContact NE2-OH 2.84Å; Q164-Y206 PolarHBondContact OE1-OH 3.37Å; Q164-T412 PolarHBondContact NE2-O 2.92Å; Q164-S417 WeakPolarHBondContact CB-OG 3.33Å; Q164-V506 HydrophobicContact CB-CG2 4.49Å
165	P	97.8	Very high	96.1	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.032	17%	0.174	C	C	.	.	H	α-helix	trans	-50.7	-41.3	179.2	-29.2	34.2	0	0	0	114.8	G167 Y168 R169 Y206 Q214 L507	P165-G167 VanDerWaalsContact C-N 3.34Å; P165-G167 PolarHBondContact O-N 2.82Å; P165-Y168 PolarHBondContact O-N 3.39Å; P165-R169 PolarHBondContact O-N 2.87Å; P165-Y206 HydrophobicContact CG-CD1 3.73Å; P165-Y206 HydrophobicContact CG-CD2 3.85Å; P165-Y206 HydrophobicContact CG-CE1 3.7Å; P165-Y206 HydrophobicContact CG-CE2 3.83Å; P165-Y206 HydrophobicContact CG-CG 3.83Å; P165-Q214 HydrophobicContact CB-CB 4.47Å; P165-Q214 VanDerWaalsContact CB-O 3.29Å; P165-Q214 WeakPolarHBondContact CB-O 3.25Å; P165-Q214 WeakPolarHBondContact CG-O 3.24Å; P165-L507 HydrophobicContact CB-CD1 3.78Å; P165-L507 HydrophobicContact CB-CD2 3.76Å; P165-L507 HydrophobicContact CB-CG 3.87Å; P165-L507 HydrophobicContact CG-CD1 4.43Å
166	G	97.1	Very high	96.1	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-67.7	-32	176.5	0	0	0	0	0	113.4	Q164 A170 S505	Q164-G166 VanDerWaalsContact C-N 3.28Å; Q164-G166 PolarHBondContact O-N 2.89Å; G166-A170 PolarHBondContact O-N 2.8Å; G166-S505 WeakPolarHBondContact CA-O 3.35Å; G166-S505 PolarHBondContact N-O 3.44Å
167	G	97.7	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.4	-39.6	170.9	0	0	0	0	0	112.1	Q164 P165 A170 L171 S417 L420	Q164-G167 WeakPolarHBondContact O-CA 3.14Å; Q164-G167 PolarHBondContact O-N 3.29Å; P165-G167 VanDerWaalsContact C-N 3.34Å; P165-G167 PolarHBondContact O-N 2.82Å; G167-A170 PolarHBondContact O-N 2.98Å; G167-L171 PolarHBondContact O-N 3.26Å; G167-S417 WeakPolarHBondContact CA-OG 3.17Å; G167-L420 WeakPolarHBondContact O-CD1 3.41Å
168	Y	97.6	Very high	96.2	Very high	30 Å²	30	28.8 Å²	28.8	12%	0.118	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-39.4	174.2	-175.8	-130.3	0	0	0	111.7	L163 Q164 P165 A170 L171 R172 V180 R217	L163-Y168 HydrophobicContact CD2-CD2 4.32Å; Q164-Y168 PolarHBondContact O-N 3.45Å; P165-Y168 PolarHBondContact O-N 3.39Å; Y168-A170 PolarHBondContact O-N 2.85Å; Y168-L171 HydrophobicContact CD2-CD2 4.35Å; Y168-L171 WeakPolarHBondContact O-CB 3.03Å; Y168-L171 PolarHBondContact O-N 3.4Å; Y168-R172 HydrophobicContact CE2-CG 4.34Å; Y168-R172 WeakPolarHBondContact O-CG 3.28Å; Y168-R172 PolarHBondContact O-N 3.13Å; Y168-V180 HydrophobicContact CD2-CG2 4.26Å; Y168-V180 HydrophobicContact CE2-CG2 3.54Å; Y168-R217 HydrophobicContact CD2-CG 4.3Å; Y168-R217 HydrophobicContact CE2-CG 4.37Å; Y168-R217 HydrophobicContact CG-CG 4.4Å
169	R	97.1	Very high	96.3	Very high	70 Å²	70	28.9 Å²	28.9	26%	0.264	16%	0.161	S	C	.	.	H	α-helix	trans	-56.3	-49.9	170.1	-174.6	-168.3	-67.7	166.5	-4.8	111.2	P165 L171 R172 E173 L507	P165-R169 PolarHBondContact O-N 2.87Å; R169-L171 VanDerWaalsContact C-N 3.3Å; R169-L171 PolarHBondContact O-N 2.97Å; R169-R172 WeakPolarHBondContact O-CB 3.28Å; R169-R172 PolarHBondContact O-N 3.47Å; R169-R172 VanDerWaalsContact O-N 3.13Å; R169-E173 WeakPolarHBondContact CG-OE1 3.03Å; R169-E173 PolarHBondContact O-N 2.87Å; R169-L507 PolarHBondContact NH1-O 3.44Å
170	A	97.9	Very high	96.7	Very high	2 Å²	2	27.6 Å²	27.6	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-39.9	177.4	0	0	0	0	0	112.3	G166 G167 Y168 R172 E173 L174 L420 L424	G166-A170 PolarHBondContact O-N 2.8Å; G167-A170 PolarHBondContact O-N 2.98Å; Y168-A170 PolarHBondContact O-N 2.85Å; A170-R172 VanDerWaalsContact C-N 3.32Å; A170-R172 PolarHBondContact O-N 3.44Å; A170-E173 PolarHBondContact O-N 3.2Å; A170-L174 VanDerWaalsContact O-CG 3.26Å; A170-L174 WeakPolarHBondContact O-CG 3.35Å; A170-L174 PolarHBondContact O-N 2.89Å; A170-L420 HydrophobicContact CB-CB 3.89Å; A170-L424 HydrophobicContact CB-CD1 3.64Å
171	L	97.8	Very high	96.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-39.7	175.5	-168.5	70.8	0	0	0	112.5	L163 G167 Y168 R169 L174 G175 M176 V180 F224 L228 L420	L163-L171 HydrophobicContact CD2-CD2 4.25Å; G167-L171 PolarHBondContact O-N 3.26Å; Y168-L171 HydrophobicContact CD2-CD2 4.35Å; Y168-L171 WeakPolarHBondContact O-CB 3.03Å; Y168-L171 PolarHBondContact O-N 3.4Å; R169-L171 VanDerWaalsContact C-N 3.3Å; R169-L171 PolarHBondContact O-N 2.97Å; L171-L174 PolarHBondContact O-N 2.74Å; L171-G175 PolarHBondContact O-N 2.99Å; L171-M176 HydrophobicContact CD1-CB 3.67Å; L171-M176 HydrophobicContact CG-CB 4.1Å; L171-M176 PolarHBondContact O-N 3.24Å; L171-V180 HydrophobicContact CD2-CG1 3.86Å; L171-F224 HydrophobicContact CD1-CZ 4.45Å; L171-F224 HydrophobicContact CD2-CE2 3.97Å; L171-F224 HydrophobicContact CD2-CZ 4.34Å; L171-L228 HydrophobicContact CD1-CD2 3.89Å; L171-L420 HydrophobicContact CB-CD1 4.13Å; L171-L420 HydrophobicContact CD1-CD1 4.22Å; L171-L420 HydrophobicContact CD1-CD2 3.99Å
172	R	96.8	Very high	96.3	Very high	118 Å²	118	36.4 Å²	36.4	45%	0.445	21%	0.211	S	C	.	.	H	α-helix	trans	-66.5	-43.9	174.7	-64.6	-170.7	-64.9	168.8	2.5	111.9	Y168 R169 A170 L174 G175 E177	Y168-R172 HydrophobicContact CE2-CG 4.34Å; Y168-R172 WeakPolarHBondContact O-CG 3.28Å; Y168-R172 PolarHBondContact O-N 3.13Å; R169-R172 WeakPolarHBondContact O-CB 3.28Å; R169-R172 PolarHBondContact O-N 3.47Å; R169-R172 VanDerWaalsContact O-N 3.13Å; A170-R172 VanDerWaalsContact C-N 3.32Å; A170-R172 PolarHBondContact O-N 3.44Å; R172-L174 PolarHBondContact O-N 2.86Å; R172-G175 WeakPolarHBondContact O-CA 3.1Å; R172-G175 PolarHBondContact O-N 2.82Å; R172-E177 HydrophobicContact CB-CB 4.48Å; R172-E177 WeakPolarHBondContact CD-OE2 3.41Å; R172-E177 HydrophobicContact CG-CB 3.76Å; R172-E177 VanDerWaalsContact CG-OE2 3.28Å; R172-E177 WeakPolarHBondContact CG-OE2 3.08Å
173	E	97.4	Very high	96.2	Very high	114 Å²	114	36.4 Å²	36.4	53%	0.533	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-30.6	176.6	-70.8	176.8	-152.6	0	0	112.7	R169 A170 G175 L424	R169-E173 WeakPolarHBondContact CG-OE1 3.03Å; R169-E173 PolarHBondContact O-N 2.87Å; A170-E173 PolarHBondContact O-N 3.2Å; E173-G175 PolarHBondContact O-N 2.85Å; E173-L424 HydrophobicContact CB-CD1 4.32Å; E173-L424 HydrophobicContact CB-CD2 3.94Å
174	L	97.8	Very high	96.1	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.4	171.6	-65.9	168.6	0	0	0	113.1	V137 R140 A170 L171 R172 M176 L420 V423 L424	V137-L174 HydrophobicContact CB-CD2 4.44Å; V137-L174 HydrophobicContact CG1-CB 3.99Å; V137-L174 HydrophobicContact CG1-CD2 3.68Å; V137-L174 HydrophobicContact CG1-CG 4.39Å; V137-L174 HydrophobicContact CG2-CD2 4.33Å; R140-L174 PolarHBondContact NH1-O 2.82Å; A170-L174 VanDerWaalsContact O-CG 3.26Å; A170-L174 WeakPolarHBondContact O-CG 3.35Å; A170-L174 PolarHBondContact O-N 2.89Å; L171-L174 PolarHBondContact O-N 2.74Å; R172-L174 PolarHBondContact O-N 2.86Å; L174-M176 HydrophobicContact CB-CG 4.24Å; L174-L420 HydrophobicContact CD1-CB 4.35Å; L174-L420 HydrophobicContact CD1-CD2 3.93Å; L174-V423 HydrophobicContact CD1-CB 4.4Å; L174-V423 HydrophobicContact CD1-CG1 4.16Å; L174-V423 HydrophobicContact CD2-CG1 3.79Å; L174-L424 HydrophobicContact CD2-CD2 3.45Å; L174-L424 VanDerWaalsContact CD2-CD2 3.45Å; L174-L424 HydrophobicContact CD2-CG 3.85Å; L174-L424 HydrophobicContact CG-CD2 3.75Å; L174-L424 HydrophobicContact CG-CG 4.03Å
175	G	97.5	Very high	96	Very high	46 Å²	46	41.1 Å²	41.1	47%	0.474	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	36.9	-175.8	0	0	0	0	0	112.5	R140 L171 R172 E173	R140-G175 PolarHBondContact NH1-O 2.94Å; L171-G175 PolarHBondContact O-N 2.99Å; R172-G175 WeakPolarHBondContact O-CA 3.1Å; R172-G175 PolarHBondContact O-N 2.82Å; E173-G175 PolarHBondContact O-N 2.85Å
176	M	96.7	Very high	96	Very high	4 Å²	4	42 Å²	42	2%	0.02	24%	0.244	C	C	.	.			trans	-123.9	18.2	-175.6	-63.4	-171	81	0	0	113	A133 A136 L171 L174 G178 S179 L228 A231	A133-M176 HydrophobicContact CB-SD 3.91Å; A136-M176 HydrophobicContact CB-CE 3.75Å; A136-M176 HydrophobicContact CB-SD 3.99Å; L171-M176 HydrophobicContact CD1-CB 3.67Å; L171-M176 HydrophobicContact CG-CB 4.1Å; L171-M176 PolarHBondContact O-N 3.24Å; L174-M176 HydrophobicContact CB-CG 4.24Å; M176-G178 VanDerWaalsContact C-N 3.28Å; M176-G178 PolarHBondContact O-N 3.32Å; M176-S179 WeakPolarHBondContact O-CB 3.45Å; M176-S179 PolarHBondContact O-N 2.62Å; M176-S179 PolarHBondContact O-OG 2.85Å; M176-L228 HydrophobicContact CE-CD2 3.65Å; M176-L228 HydrophobicContact SD-CD2 4.33Å; M176-A231 HydrophobicContact CE-CB 3.6Å
177	E	94.4	Very high	96	Very high	89 Å²	89	44.1 Å²	44.1	42%	0.416	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-60.8	-33.5	-175.9	73.1	-172.6	165.5	0	0	113.9	R172 S179 V180	R172-E177 HydrophobicContact CB-CB 4.48Å; R172-E177 WeakPolarHBondContact CD-OE2 3.41Å; R172-E177 HydrophobicContact CG-CB 3.76Å; R172-E177 VanDerWaalsContact CG-OE2 3.28Å; R172-E177 WeakPolarHBondContact CG-OE2 3.08Å; E177-S179 PolarHBondContact O-N 3.06Å; E177-V180 WeakPolarHBondContact O-CG2 3.2Å; E177-V180 PolarHBondContact O-N 2.79Å; E177-V180 VanDerWaalsContact O-N 3.08Å
178	G	93.9	Very high	96	Very high	43 Å²	43	44.2 Å²	44.2	44%	0.443	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-59	-15.6	173.9	0	0	0	0	0	113.8	M176 V180 E181	M176-G178 VanDerWaalsContact C-N 3.28Å; M176-G178 PolarHBondContact O-N 3.32Å; G178-V180 PolarHBondContact O-N 3.35Å; G178-E181 PolarHBondContact O-N 3.08Å; G178-E181 VanDerWaalsContact O-N 3.15Å
179	S	94.8	Very high	96	Very high	5 Å²	5	44.3 Å²	44.3	4%	0.035	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-68.2	-15.4	176.3	-48.7	0	0	0	0	113.4	M176 E177 L183	M176-S179 WeakPolarHBondContact O-CB 3.45Å; M176-S179 PolarHBondContact O-N 2.62Å; M176-S179 PolarHBondContact O-OG 2.85Å; E177-S179 PolarHBondContact O-N 3.06Å; S179-L183 WeakPolarHBondContact O-CD1 3.3Å
180	V	93.1	Very high	96	Very high	8 Å²	8	41 Å²	41	5%	0.048	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-104.6	1.6	173.5	-62	0	0	0	0	113.4	Y168 L171 E177 G178 R217 F219 F224	Y168-V180 HydrophobicContact CD2-CG2 4.26Å; Y168-V180 HydrophobicContact CE2-CG2 3.54Å; L171-V180 HydrophobicContact CD2-CG1 3.86Å; E177-V180 WeakPolarHBondContact O-CG2 3.2Å; E177-V180 PolarHBondContact O-N 2.79Å; E177-V180 VanDerWaalsContact O-N 3.08Å; G178-V180 PolarHBondContact O-N 3.35Å; V180-R217 HydrophobicContact CG2-CG 4.5Å; V180-F219 HydrophobicContact CG1-CD1 4.26Å; V180-F219 HydrophobicContact CG1-CE1 3.79Å; V180-F219 HydrophobicContact CG1-CZ 4.48Å; V180-F224 HydrophobicContact CG1-CD2 3.64Å; V180-F224 HydrophobicContact CG1-CE2 3.58Å
181	E	91.3	Very high	96	Very high	127 Å²	127	41.9 Å²	41.9	59%	0.593	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	148.9	177.7	-64.7	-177.5	173.9	0	0	111.5	G178 L183	G178-E181 PolarHBondContact O-N 3.08Å; G178-E181 VanDerWaalsContact O-N 3.15Å; E181-L183 WeakPolarHBondContact O-CD2 3.38Å; E181-L183 PolarHBondContact O-N 3.15Å; E181-L183 VanDerWaalsContact O-N 3.12Å
182	G	92.8	Very high	96	Very high	87 Å²	87	42 Å²	42	90%	0.897	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	9.7	178.9	0	0	0	0	0	115.2	D184	G182-D184 VanDerWaalsContact C-N 3.33Å
183	L	94.5	Very high	96.1	Very high	13 Å²	13	36.9 Å²	36.9	7%	0.068	23%	0.232	C	C	.	.	S	Bend	trans	-87.6	-1.5	-179	-49	-169.4	0	0	0	114	S179 E181 A185 F219 R223 F224	S179-L183 WeakPolarHBondContact O-CD1 3.3Å; E181-L183 WeakPolarHBondContact O-CD2 3.38Å; E181-L183 PolarHBondContact O-N 3.15Å; E181-L183 VanDerWaalsContact O-N 3.12Å; L183-A185 HydrophobicContact CB-CB 4.39Å; L183-F219 HydrophobicContact CD1-CB 4.39Å; L183-F219 HydrophobicContact CD1-CG 4.48Å; L183-R223 HydrophobicContact CB-CB 4.2Å; L183-R223 HydrophobicContact CD1-CB 4.22Å; L183-R223 HydrophobicContact CD2-CB 4.03Å; L183-R223 HydrophobicContact CG-CB 4.37Å; L183-R223 WeakPolarHBondContact O-CD 3.48Å; L183-R223 PolarHBondContact O-NH1 3.45Å; L183-F224 HydrophobicContact CD1-CB 3.99Å
184	D	96.8	Very high	96.1	Very high	68 Å²	68	32.2 Å²	32.2	36%	0.364	21%	0.211	S	C	.	.			trans	56.2	41.8	-158.7	-168	23.2	0	0	0	111	G182 S333 S334	G182-D184 VanDerWaalsContact C-N 3.33Å; D184-S333 VanDerWaalsContact O-CA 3.31Å; D184-S333 WeakPolarHBondContact O-CA 3.3Å; D184-S333 WeakPolarHBondContact OD2-CB 3.37Å; D184-S334 WeakPolarHBondContact OD1-CB 3.44Å; D184-S334 PolarHBondContact OD1-N 3.2Å; D184-S334 WeakPolarHBondContact OD2-CB 3.48Å; D184-S334 PolarHBondContact OD2-N 2.99Å; D184-S334 PolarHBondContact OD2-OG 3.14Å
185	A	95.8	Very high	96.1	Very high	31 Å²	31	32.6 Å²	32.6	26%	0.256	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-72.7	139.1	-180	0	0	0	0	0	111.2	L183 A218 F219	L183-A185 HydrophobicContact CB-CB 4.39Å; A185-A218 CarbonylContact C-O 3.51Å; A185-A218 VanDerWaalsContact CA-O 3.28Å; A185-A218 WeakPolarHBondContact CA-O 3.48Å; A185-F219 HydrophobicContact CB-CB 4Å; A185-F219 HydrophobicContact CB-CD1 4.3Å
186	H	97.3	Very high	95.9	Very high	22 Å²	22	32.5 Å²	32.5	10%	0.102	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.6	175.9	-168.3	84.8	0	0	0	111.5	R217 A218 Q311 H315 Q331	H186-R217 WeakPolarHBondContact O-CA 3.38Å; H186-A218 HydrophobicContact CB-CB 4.39Å; H186-A218 PolarHBondContact N-O 3.32Å; H186-A218 PolarHBondContact O-N 3.22Å; H186-Q311 PolarHBondContact NE2-NE2 3Å; H186-Q311 VanDerWaalsContact NE2-NE2 3.16Å; H186-H315 AromaticContact CE1-ND1 3.81Å; H186-H315 AromaticContact NE2-ND1 3.78Å; H186-Q331 HydrophobicContact CB-CB 4.47Å; H186-Q331 HydrophobicContact CB-CG 4.4Å; H186-Q331 WeakPolarHBondContact CB-O 3.42Å; H186-Q331 PolarHBondContact CE1-OE1 3.42Å
187	V	97.1	Very high	95.6	Very high	48 Å²	48	35.9 Å²	35.9	29%	0.291	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.1	174.1	178	0	0	0	0	109.5	C215 H315	V187-C215 HydrophobicContact CG1-CB 3.79Å; V187-H315 WeakPolarHBondContact O-CB 3.24Å; V187-H315 PolarHBondContact O-ND1 2.91Å
188	V	97.8	Very high	95.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.9	178.2	-173.1	0	0	0	0	109.9	L162 G190 Y206 C215 G216 A218 H315 A317	L162-V188 HydrophobicContact CD1-CB 4.32Å; L162-V188 HydrophobicContact CD1-CG2 3.75Å; V188-G190 WeakPolarHBondContact CG1-O 3.35Å; V188-Y206 HydrophobicContact CB-CE2 4.35Å; V188-Y206 HydrophobicContact CG1-CE2 3.95Å; V188-Y206 VanDerWaalsContact O-CD2 3.27Å; V188-Y206 WeakPolarHBondContact O-CD2 3.29Å; V188-Y206 VanDerWaalsContact O-CE2 3.28Å; V188-Y206 WeakPolarHBondContact O-CE2 3.25Å; V188-C215 CarbonylContact O-C 3.54Å; V188-C215 VanDerWaalsContact O-CA 3.29Å; V188-C215 WeakPolarHBondContact O-CA 3.25Å; V188-C215 VanDerWaalsContact O-CB 3.25Å; V188-C215 WeakPolarHBondContact O-CB 3.33Å; V188-G216 PolarHBondContact N-O 3.09Å; V188-G216 VanDerWaalsContact N-O 3.11Å; V188-G216 PolarHBondContact O-N 3.01Å; V188-A218 HydrophobicContact CG2-CB 3.95Å; V188-H315 CarbonylContact C-O 3.54Å; V188-H315 WeakPolarHBondContact CA-O 3.49Å; V188-A317 HydrophobicContact CG1-CB 4.16Å
189	N	97.6	Very high	95.5	Very high	32 Å²	32	37.3 Å²	37.3	17%	0.171	23%	0.23	C	C	.	.			trans	-98.9	-8.2	-177.3	-69.5	-19	0	0	0	113.5	Y206 I213 C215 H315	N189-Y206 WeakPolarHBondContact O-CB 3.43Å; N189-Y206 WeakPolarHBondContact O-CD2 3.41Å; N189-Y206 PolarHBondContact O-N 2.98Å; N189-I213 HydrophobicContact CB-CD1 4.29Å; N189-I213 HydrophobicContact CB-CG2 4.28Å; N189-C215 WeakPolarHBondContact OD1-CB 3.49Å; N189-H315 HydrophobicContact CB-CB 4.15Å; N189-H315 PolarHBondContact N-O 3.17Å
190	G	97.3	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-163.3	177.8	0	0	0	0	0	112.1	V188 I204 H316 A317	V188-G190 WeakPolarHBondContact CG1-O 3.35Å; G190-I204 CarbonylContact C-O 3.52Å; G190-I204 VanDerWaalsContact CA-O 3.22Å; G190-I204 WeakPolarHBondContact CA-O 3.43Å; G190-H316 WeakPolarHBondContact O-CA 3.46Å; G190-A317 PolarHBondContact O-N 3.11Å
191	Y	98.1	Very high	95.8	Very high	20 Å²	20	43 Å²	43	8%	0.078	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	155.5	175.4	-63	-93.5	0	0	0	111.9	L162 Q164 I204 Y206 A317 I501 L504	L162-Y191 HydrophobicContact CD2-CE1 4.26Å; L162-Y191 VanDerWaalsContact CD2-OH 3.24Å; L162-Y191 WeakPolarHBondContact CD2-OH 3.39Å; Q164-Y191 PolarHBondContact NE2-OH 2.84Å; Y191-I204 PolarHBondContact N-O 3.41Å; Y191-I204 PolarHBondContact O-N 3.48Å; Y191-Y206 HydrophobicContact CD2-CE1 4.46Å; Y191-Y206 AromaticContact CE2-CE1 3.89Å; Y191-Y206 HydrophobicContact CE2-CE1 3.89Å; Y191-Y206 AromaticContact CE2-CZ 3.62Å; Y191-Y206 WeakPolarHBondContact CE2-OH 3.38Å; Y191-Y206 PolarHBondContact OH-OH 2.9Å; Y191-A317 CarbonylContact C-O 3.38Å; Y191-A317 WeakPolarHBondContact CA-O 3.41Å; Y191-A317 HydrophobicContact CD1-CB 3.45Å; Y191-A317 VanDerWaalsContact CD1-CB 3.45Å; Y191-A317 HydrophobicContact CE1-CB 3.51Å; Y191-A317 HydrophobicContact CG-CB 4.38Å; Y191-I501 HydrophobicContact CD2-CD1 4.38Å; Y191-L504 HydrophobicContact CD2-CD2 4.13Å; Y191-L504 HydrophobicContact CE2-CD2 3.8Å
192	V	98.3	Very high	96.1	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.4	160.2	-178.3	0	0	0	0	107.5	H194 E201 F312 K313 H316 A317 E318 L319	V192-H194 WeakPolarHBondContact CG1-NE2 3.42Å; V192-E201 HydrophobicContact CG1-CB 4.03Å; V192-E201 HydrophobicContact CG1-CG 4.45Å; V192-F312 HydrophobicContact CB-CD1 4.43Å; V192-F312 HydrophobicContact CG1-CD1 3.88Å; V192-F312 HydrophobicContact CG1-CE1 4.16Å; V192-F312 HydrophobicContact CG2-CD1 4.04Å; V192-K313 HydrophobicContact CG2-CB 4.1Å; V192-H316 HydrophobicContact CG2-CB 4.03Å; V192-A317 PolarHBondContact N-O 2.75Å; V192-E318 CarbonylContact O-C 3.56Å; V192-E318 WeakPolarHBondContact O-CA 3.43Å; V192-L319 PolarHBondContact O-N 2.82Å
193	I	98.3	Very high	96.3	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.056	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.3	175.5	-54.5	179.1	0	0	0	107.8	E201 V202 I204 L319 L321 F487 F490	I193-E201 CarbonylContact O-C 3.52Å; I193-E201 WeakPolarHBondContact O-CA 3.29Å; I193-V202 HydrophobicContact CB-CG1 3.87Å; I193-V202 HydrophobicContact CD1-CG1 4.46Å; I193-V202 HydrophobicContact CG1-CG1 4.45Å; I193-V202 PolarHBondContact N-O 2.86Å; I193-V202 PolarHBondContact O-N 2.85Å; I193-I204 HydrophobicContact CD1-CD1 4.29Å; I193-I204 HydrophobicContact CD1-CG1 3.78Å; I193-I204 HydrophobicContact CG1-CG1 4.02Å; I193-L319 CarbonylContact C-O 3.54Å; I193-L319 WeakPolarHBondContact CA-O 3.15Å; I193-L319 HydrophobicContact CD1-CD2 4.36Å; I193-L319 HydrophobicContact CG1-CB 4.37Å; I193-L319 HydrophobicContact CG1-CD2 4.24Å; I193-L319 HydrophobicContact CG2-CD2 4.27Å; I193-L319 HydrophobicContact CG2-CG 4.45Å; I193-L321 HydrophobicContact CG2-CD1 3.83Å; I193-L321 HydrophobicContact CG2-CD2 4.31Å; I193-L321 HydrophobicContact CG2-CG 3.76Å; I193-F487 HydrophobicContact CB-CE2 4.48Å; I193-F487 HydrophobicContact CG2-CD2 3.96Å; I193-F487 HydrophobicContact CG2-CE2 4.17Å; I193-F490 HydrophobicContact CD1-CD2 3.88Å; I193-F490 HydrophobicContact CD1-CE2 3.83Å
194	H	98.2	Very high	96.4	Very high	16 Å²	16	37.1 Å²	37.1	7%	0.074	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.7	175.9	-58	-89.7	0	0	0	109.6	V192 F312 E318 L319 V320 L321 P364	V192-H194 WeakPolarHBondContact CG1-NE2 3.42Å; H194-F312 AromaticContact CE1-CD2 3.79Å; H194-F312 AromaticContact CE1-CG 3.84Å; H194-E318 IonicContact CD2-OE2 3.09Å; H194-E318 IonicContact CE1-OE2 3.74Å; H194-E318 IonicContact NE2-OE2 2.77Å; H194-E318 PolarHBondContact NE2-OE2 2.87Å; H194-L319 PolarHBondContact N-O 3.05Å; H194-V320 HydrophobicContact CB-CG2 4.42Å; H194-L321 WeakPolarHBondContact O-CB 3.2Å; H194-L321 PolarHBondContact O-N 2.92Å; H194-P364 HydrophobicContact CB-CG 4.33Å
195	D	96.8	Very high	96.3	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.053	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.3	170.7	178.9	51.4	0	0	0	110.3	E197 S198 S199 T200 F487	D195-E197 VanDerWaalsContact C-N 3.27Å; D195-E197 PolarHBondContact O-N 3.01Å; D195-S198 VanDerWaalsContact OD2-CB 3.22Å; D195-S198 WeakPolarHBondContact OD2-CB 3.24Å; D195-S198 PolarHBondContact OD2-N 2.71Å; D195-S198 PolarHBondContact OD2-OG 3.48Å; D195-S199 WeakPolarHBondContact O-CA 3.35Å; D195-S199 PolarHBondContact O-N 3.22Å; D195-T200 PolarHBondContact N-O 2.78Å; D195-T200 PolarHBondContact O-N 3.11Å; D195-F487 HydrophobicContact CB-CD1 3.9Å; D195-F487 HydrophobicContact CB-CD2 3.91Å; D195-F487 HydrophobicContact CB-CE1 3.63Å; D195-F487 HydrophobicContact CB-CE2 3.65Å; D195-F487 HydrophobicContact CB-CG 4.02Å; D195-F487 HydrophobicContact CB-CZ 3.51Å
196	I	93.2	Very high	96.4	Very high	44 Å²	44	35.1 Å²	35.1	23%	0.226	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.7	-175.5	68.3	171.7	0	0	0	112.3	S199 V320 L321 Q362	I196-S199 PolarHBondContact O-N 3.1Å; I196-S199 PolarHBondContact O-OG 2.8Å; I196-V320 HydrophobicContact CG2-CG1 3.79Å; I196-L321 WeakPolarHBondContact CG1-O 3.44Å; I196-Q362 HydrophobicContact CD1-CB 4.11Å; I196-Q362 HydrophobicContact CD1-CG 4.04Å; I196-Q362 VanDerWaalsContact CG2-O 3.28Å; I196-Q362 WeakPolarHBondContact CG2-O 3.47Å
197	E	91.4	Very high	96.2	Very high	75 Å²	75	35.6 Å²	35.6	35%	0.35	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-41.2	-174.7	-65.6	-167.9	-177.1	0	0	112.2	D195 N323 H480 K484	D195-E197 VanDerWaalsContact C-N 3.27Å; D195-E197 PolarHBondContact O-N 3.01Å; E197-N323 PolarHBondContact OE1-ND2 3.02Å; E197-H480 IonicContact OE1-CE1 2.69Å; E197-H480 PolarHBondContact OE1-CE1 3.48Å; E197-H480 IonicContact OE1-NE2 3.32Å; E197-H480 IonicContact OE2-CE1 3.12Å; E197-H480 PolarHBondContact OE2-CE1 2.93Å; E197-H480 IonicContact OE2-NE2 3.97Å; E197-H480 PolarHBondContact OE2-NE2 3.37Å; E197-K484 WeakPolarHBondContact OE2-CE 3.42Å; E197-K484 IonicContact OE2-NZ 2.66Å; E197-K484 PolarHBondContact OE2-NZ 3.26Å
198	S	92.4	Very high	95.8	Very high	58 Å²	58	40.3 Å²	40.3	41%	0.406	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-10.9	171.5	63.3	0	0	0	0	113.3	D195 T200	D195-S198 VanDerWaalsContact OD2-CB 3.22Å; D195-S198 WeakPolarHBondContact OD2-CB 3.24Å; D195-S198 PolarHBondContact OD2-N 2.71Å; D195-S198 PolarHBondContact OD2-OG 3.48Å; S198-T200 WeakPolarHBondContact O-CG2 3.15Å; S198-T200 PolarHBondContact O-N 2.95Å; S198-T200 PolarHBondContact OG-OG1 3.13Å
199	S	93.4	Very high	95.1	Very high	104 Å²	104	41.6 Å²	41.6	73%	0.727	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	45	-171.7	-61.6	0	0	0	0	111.8	D195 I196	D195-S199 WeakPolarHBondContact O-CA 3.35Å; D195-S199 PolarHBondContact O-N 3.22Å; I196-S199 PolarHBondContact O-N 3.1Å; I196-S199 PolarHBondContact O-OG 2.8Å
200	T	96.4	Very high	94.2	Very high	43 Å²	43	47.9 Å²	47.9	26%	0.264	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	166.6	178.4	64.8	0	0	0	0	111.7	D195 S198 F487 K491	D195-T200 PolarHBondContact N-O 2.78Å; D195-T200 PolarHBondContact O-N 3.11Å; S198-T200 WeakPolarHBondContact O-CG2 3.15Å; S198-T200 PolarHBondContact O-N 2.95Å; S198-T200 PolarHBondContact OG-OG1 3.13Å; T200-F487 WeakPolarHBondContact O-CZ 3.45Å; T200-F487 WeakPolarHBondContact OG1-CE1 3.49Å; T200-K491 PolarHBondContact OG1-NZ 2.83Å
201	E	96.6	Very high	93.2	Very high	91 Å²	91	53.9 Å²	53.9	43%	0.425	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	163.1	-176.8	66.3	-79.9	-171.5	0	0	112.5	V192 I193 F312 K491	V192-E201 HydrophobicContact CG1-CB 4.03Å; V192-E201 HydrophobicContact CG1-CG 4.45Å; I193-E201 CarbonylContact O-C 3.52Å; I193-E201 WeakPolarHBondContact O-CA 3.29Å; E201-F312 HydrophobicContact CG-CE1 4.09Å; E201-F312 HydrophobicContact CG-CZ 3.83Å; E201-K491 WeakPolarHBondContact O-CE 3.21Å
202	V	97.4	Very high	92.5	Very high	16 Å²	16	56.3 Å²	56.3	10%	0.097	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	133.6	168.9	63.6	0	0	0	0	109.9	I193 I204 F487 F490 K491	I193-V202 HydrophobicContact CB-CG1 3.87Å; I193-V202 HydrophobicContact CD1-CG1 4.46Å; I193-V202 HydrophobicContact CG1-CG1 4.45Å; I193-V202 PolarHBondContact N-O 2.86Å; I193-V202 PolarHBondContact O-N 2.85Å; V202-I204 HydrophobicContact CG1-CD1 4.18Å; V202-I204 HydrophobicContact CG2-CD1 4.16Å; V202-F487 HydrophobicContact CB-CE2 4.27Å; V202-F487 HydrophobicContact CG1-CD2 3.93Å; V202-F487 HydrophobicContact CG1-CE2 3.64Å; V202-F487 HydrophobicContact CG1-CZ 4.43Å; V202-F490 HydrophobicContact CG1-CB 4.03Å; V202-F490 HydrophobicContact CG2-CB 3.98Å; V202-K491 HydrophobicContact CB-CG 4.08Å; V202-K491 HydrophobicContact CG2-CG 4.05Å
203	E	97.1	Very high	92	Very high	79 Å²	79	59.3 Å²	59.3	37%	0.369	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.2	173.6	-174.8	-173.3	158.2	0	0	110.6	K313 H316	E203-K313 HydrophobicContact CG-CD 4.44Å; E203-K313 IonicContact OE1-NZ 3.11Å; E203-K313 PolarHBondContact OE1-NZ 3.18Å; E203-K313 IonicContact OE2-NZ 2.95Å; E203-K313 PolarHBondContact OE2-NZ 2.79Å; E203-H316 IonicContact OE1-NE2 3.86Å
204	I	96.6	Very high	91.7	Very high	8 Å²	8	61 Å²	61	4%	0.041	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	84.9	177.6	-49.6	-63.5	0	0	0	107.9	G190 Y191 I193 V202 F490 V497 I501	G190-I204 CarbonylContact C-O 3.52Å; G190-I204 VanDerWaalsContact CA-O 3.22Å; G190-I204 WeakPolarHBondContact CA-O 3.43Å; Y191-I204 PolarHBondContact N-O 3.41Å; Y191-I204 PolarHBondContact O-N 3.48Å; I193-I204 HydrophobicContact CD1-CD1 4.29Å; I193-I204 HydrophobicContact CD1-CG1 3.78Å; I193-I204 HydrophobicContact CG1-CG1 4.02Å; V202-I204 HydrophobicContact CG1-CD1 4.18Å; V202-I204 HydrophobicContact CG2-CD1 4.16Å; I204-F490 HydrophobicContact CD1-CB 3.77Å; I204-F490 HydrophobicContact CD1-CD1 4.14Å; I204-F490 HydrophobicContact CD1-CD2 4.22Å; I204-F490 HydrophobicContact CD1-CG 3.8Å; I204-V497 HydrophobicContact CD1-CG1 4.12Å; I204-V497 HydrophobicContact CD1-CG2 4.38Å; I204-V497 HydrophobicContact CG2-CG1 4.15Å; I204-I501 HydrophobicContact CG2-CB 3.95Å; I204-I501 HydrophobicContact CG2-CD1 3.63Å; I204-I501 HydrophobicContact CG2-CG1 3.86Å
205	P	96.4	Very high	91.5	Very high	51 Å²	51	61.3 Å²	61.3	33%	0.331	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	144.4	179.7	30.4	-34.3	0	0	0	110.7	I501	P205-I501 WeakPolarHBondContact O-CG1 3.28Å
206	Y	96.8	Very high	91.5	Very high	5 Å²	5	60.9 Å²	60.9	2%	0.02	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-66.1	153	169.1	-75.4	-50.2	0	0	0	111.4	Q164 P165 V188 N189 Y191 Q214 I501	Q164-Y206 PolarHBondContact OE1-OH 3.37Å; P165-Y206 HydrophobicContact CG-CD1 3.73Å; P165-Y206 HydrophobicContact CG-CD2 3.85Å; P165-Y206 HydrophobicContact CG-CE1 3.7Å; P165-Y206 HydrophobicContact CG-CE2 3.83Å; P165-Y206 HydrophobicContact CG-CG 3.83Å; V188-Y206 HydrophobicContact CB-CE2 4.35Å; V188-Y206 HydrophobicContact CG1-CE2 3.95Å; V188-Y206 VanDerWaalsContact O-CD2 3.27Å; V188-Y206 WeakPolarHBondContact O-CD2 3.29Å; V188-Y206 VanDerWaalsContact O-CE2 3.28Å; V188-Y206 WeakPolarHBondContact O-CE2 3.25Å; N189-Y206 WeakPolarHBondContact O-CB 3.43Å; N189-Y206 WeakPolarHBondContact O-CD2 3.41Å; N189-Y206 PolarHBondContact O-N 2.98Å; Y191-Y206 HydrophobicContact CD2-CE1 4.46Å; Y191-Y206 AromaticContact CE2-CE1 3.89Å; Y191-Y206 HydrophobicContact CE2-CE1 3.89Å; Y191-Y206 AromaticContact CE2-CZ 3.62Å; Y191-Y206 WeakPolarHBondContact CE2-OH 3.38Å; Y191-Y206 PolarHBondContact OH-OH 2.9Å; Y206-Q214 WeakPolarHBondContact CB-O 3.39Å; Y206-I501 HydrophobicContact CD1-CD1 3.68Å; Y206-I501 HydrophobicContact CD1-CG1 3.8Å; Y206-I501 HydrophobicContact CE1-CD1 3.74Å; Y206-I501 HydrophobicContact CE1-CG1 4.36Å
207	P	92.4	Very high	91.8	Very high	33 Å²	33	60.7 Å²	60.7	21%	0.214	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-57.4	147.6	178.6	-24.7	34.7	0	0	0	113.1	Q214 I501 L507	P207-Q214 WeakPolarHBondContact O-CB 2.97Å; P207-Q214 PolarHBondContact O-N 3.15Å; P207-I501 HydrophobicContact CG-CG2 4.08Å; P207-L507 HydrophobicContact CB-CD1 4.26Å; P207-L507 HydrophobicContact CG-CD1 3.86Å
208	Q	89.4	Confident	92.1	Very high	146 Å²	146	57.1 Å²	57.1	68%	0.682	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	140.3	170.4	-65.1	-178.3	8.3	0	0	110.2	S212 I213	Q208-S212 CarbonylContact C-O 3.43Å; Q208-S212 WeakPolarHBondContact CA-O 3.41Å; Q208-I213 HydrophobicContact CG-CG1 4Å
209	A	83	Confident	92.4	Very high	29 Å²	29	54.4 Å²	54.4	24%	0.24	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133.7	170.1	0	0	0	0	0	108.9	S211 S212 Q214	A209-S211 PolarHBondContact O-N 3.29Å; A209-S212 PolarHBondContact N-O 3.04Å; A209-S212 PolarHBondContact O-N 3.46Å; A209-S212 PolarHBondContact O-OG 3.12Å; A209-Q214 HydrophobicContact CB-CG 3.84Å
210	D	78.7	Confident	92.6	Very high	164 Å²	164	51 Å²	51	88%	0.877	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	45.2	179.8	-53.1	-37.9	0	0	0	113.2	S212	D210-S212 PolarHBondContact O-N 2.86Å; D210-S212 VanDerWaalsContact O-N 3.16Å
211	S	75.4	Confident	92.7	Very high	126 Å²	126	49.9 Å²	49.9	88%	0.881	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	13.9	-177.9	-54.9	0	0	0	0	115.7	A209	A209-S211 PolarHBondContact O-N 3.29Å
212	S	84.1	Confident	92.7	Very high	71 Å²	71	45.7 Å²	45.7	50%	0.497	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	142.7	174.9	71.5	0	0	0	0	111.7	Q208 A209 D210 Q214	Q208-S212 CarbonylContact C-O 3.43Å; Q208-S212 WeakPolarHBondContact CA-O 3.41Å; A209-S212 PolarHBondContact N-O 3.04Å; A209-S212 PolarHBondContact O-N 3.46Å; A209-S212 PolarHBondContact O-OG 3.12Å; D210-S212 PolarHBondContact O-N 2.86Å; D210-S212 VanDerWaalsContact O-N 3.16Å; S212-Q214 PolarHBondContact O-N 2.6Å
213	I	88	Confident	92.8	Very high	66 Å²	66	49.1 Å²	49.1	34%	0.338	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.1	176.2	-60.5	171.2	0	0	0	108.9	N189 Q208 C215	N189-I213 HydrophobicContact CB-CD1 4.29Å; N189-I213 HydrophobicContact CB-CG2 4.28Å; Q208-I213 HydrophobicContact CG-CG1 4Å; I213-C215 VanDerWaalsContact C-N 3.29Å; I213-C215 HydrophobicContact CG2-CB 4.47Å; I213-C215 PolarHBondContact O-N 2.8Å
214	Q	92.9	Very high	92.8	Very high	45 Å²	45	45.4 Å²	45.4	21%	0.21	25%	0.251	C	S	.	.			trans	-76.2	84.7	171	-62.4	-170.7	-52.3	0	0	109	P165 Y206 P207 A209 S212 L507	P165-Q214 HydrophobicContact CB-CB 4.47Å; P165-Q214 VanDerWaalsContact CB-O 3.29Å; P165-Q214 WeakPolarHBondContact CB-O 3.25Å; P165-Q214 WeakPolarHBondContact CG-O 3.24Å; Y206-Q214 WeakPolarHBondContact CB-O 3.39Å; P207-Q214 WeakPolarHBondContact O-CB 2.97Å; P207-Q214 PolarHBondContact O-N 3.15Å; A209-Q214 HydrophobicContact CB-CG 3.84Å; S212-Q214 PolarHBondContact O-N 2.6Å; Q214-L507 HydrophobicContact CB-CD1 3.74Å; Q214-L507 HydrophobicContact CB-CD2 4.32Å
215	C	94	Very high	92.9	Very high	24 Å²	24	45.1 Å²	45.1	16%	0.162	25%	0.249	C	C	.	.			trans	-85.8	152	-171.8	48.2	0	0	0	0	113.7	V187 V188 N189 I213 R217	V187-C215 HydrophobicContact CG1-CB 3.79Å; V188-C215 CarbonylContact O-C 3.54Å; V188-C215 VanDerWaalsContact O-CA 3.29Å; V188-C215 WeakPolarHBondContact O-CA 3.25Å; V188-C215 VanDerWaalsContact O-CB 3.25Å; V188-C215 WeakPolarHBondContact O-CB 3.33Å; N189-C215 WeakPolarHBondContact OD1-CB 3.49Å; I213-C215 VanDerWaalsContact C-N 3.29Å; I213-C215 HydrophobicContact CG2-CB 4.47Å; I213-C215 PolarHBondContact O-N 2.8Å; C215-R217 PolarHBondContact SG-NH1 2.89Å
216	G	96.6	Very high	93	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	177.4	168.7	0	0	0	0	0	112	L163 V188	L163-G216 VanDerWaalsContact O-CA 3.25Å; L163-G216 WeakPolarHBondContact O-CA 3.28Å; V188-G216 PolarHBondContact N-O 3.09Å; V188-G216 VanDerWaalsContact N-O 3.11Å; V188-G216 PolarHBondContact O-N 3.01Å
217	R	97.9	Very high	93.1	Very high	41 Å²	41	45.2 Å²	45.2	16%	0.155	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.1	174.8	-67.6	-68.2	178.7	-81.5	-0.5	109.8	L163 Y168 V180 H186 C215 F219	L163-R217 PolarHBondContact N-O 3.06Å; L163-R217 PolarHBondContact O-N 3.2Å; Y168-R217 HydrophobicContact CD2-CG 4.3Å; Y168-R217 HydrophobicContact CE2-CG 4.37Å; Y168-R217 HydrophobicContact CG-CG 4.4Å; V180-R217 HydrophobicContact CG2-CG 4.5Å; H186-R217 WeakPolarHBondContact O-CA 3.38Å; C215-R217 PolarHBondContact SG-NH1 2.89Å; R217-F219 HydrophobicContact CB-CD1 4Å; R217-F219 HydrophobicContact CB-CE1 3.89Å
218	A	98.3	Very high	93.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.4	170.3	0	0	0	0	0	110.2	E161 L162 A185 H186 V188 Y330 Q331 I332	E161-A218 CarbonylContact O-C 3.54Å; E161-A218 WeakPolarHBondContact O-CA 3.42Å; L162-A218 HydrophobicContact CD1-CB 3.81Å; A185-A218 CarbonylContact C-O 3.51Å; A185-A218 VanDerWaalsContact CA-O 3.28Å; A185-A218 WeakPolarHBondContact CA-O 3.48Å; H186-A218 HydrophobicContact CB-CB 4.39Å; H186-A218 PolarHBondContact N-O 3.32Å; H186-A218 PolarHBondContact O-N 3.22Å; V188-A218 HydrophobicContact CG2-CB 3.95Å; A218-Y330 HydrophobicContact CB-CD2 4.38Å; A218-Q331 WeakPolarHBondContact CB-O 3.06Å; A218-I332 HydrophobicContact CB-CG2 4.45Å
219	F	98.2	Very high	93.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.			trans	-162.4	161.4	-172.9	40.7	-107.2	0	0	0	111.1	E161 L163 V180 L183 A185 R217 H221 F224 I332 M416	E161-F219 VanDerWaalsContact CA-O 3.3Å; E161-F219 WeakPolarHBondContact CA-O 3.45Å; E161-F219 WeakPolarHBondContact CB-O 3.41Å; E161-F219 WeakPolarHBondContact CG-O 3.47Å; E161-F219 PolarHBondContact O-N 2.87Å; L163-F219 HydrophobicContact CB-CE1 3.96Å; L163-F219 HydrophobicContact CB-CZ 3.94Å; V180-F219 HydrophobicContact CG1-CD1 4.26Å; V180-F219 HydrophobicContact CG1-CE1 3.79Å; V180-F219 HydrophobicContact CG1-CZ 4.48Å; L183-F219 HydrophobicContact CD1-CB 4.39Å; L183-F219 HydrophobicContact CD1-CG 4.48Å; A185-F219 HydrophobicContact CB-CB 4Å; A185-F219 HydrophobicContact CB-CD1 4.3Å; R217-F219 HydrophobicContact CB-CD1 4Å; R217-F219 HydrophobicContact CB-CE1 3.89Å; F219-H221 PolarHBondContact O-N 3.13Å; F219-F224 HydrophobicContact CD2-CB 3.49Å; F219-F224 VanDerWaalsContact CD2-CB 3.49Å; F219-F224 HydrophobicContact CD2-CD1 4.42Å; F219-F224 HydrophobicContact CD2-CG 4.06Å; F219-F224 HydrophobicContact CE1-CD2 4.45Å; F219-F224 HydrophobicContact CE1-CG 4.37Å; F219-F224 HydrophobicContact CE2-CB 3.34Å; F219-F224 AromaticContact CE2-CD1 3.41Å; F219-F224 HydrophobicContact CE2-CD1 3.41Å; F219-F224 VanDerWaalsContact CE2-CD1 3.41Å; F219-F224 HydrophobicContact CE2-CD2 4.25Å; F219-F224 HydrophobicContact CE2-CE1 4.23Å; F219-F224 AromaticContact CE2-CG 3.41Å; F219-F224 HydrophobicContact CE2-CG 3.41Å; F219-F224 VanDerWaalsContact CE2-CG 3.41Å; F219-F224 HydrophobicContact CG-CB 4.24Å; F219-F224 HydrophobicContact CZ-CB 3.98Å; F219-F224 AromaticContact CZ-CD1 3.56Å; F219-F224 HydrophobicContact CZ-CD1 3.56Å; F219-F224 HydrophobicContact CZ-CD2 4.01Å; F219-F224 AromaticContact CZ-CE1 3.97Å; F219-F224 HydrophobicContact CZ-CE1 3.97Å; F219-F224 HydrophobicContact CZ-CE2 4.38Å; F219-F224 AromaticContact CZ-CG 3.57Å; F219-F224 HydrophobicContact CZ-CG 3.57Å; F219-F224 HydrophobicContact CZ-CZ 4.36Å; F219-I332 VanDerWaalsContact CA-O 3.28Å; F219-I332 WeakPolarHBondContact CA-O 3.49Å; F219-M416 HydrophobicContact CE2-CE 4.26Å; F219-M416 HydrophobicContact CZ-CE 4.06Å
220	H	98.3	Very high	94.5	Very high	33 Å²	33	43.9 Å²	43.9	15%	0.153	23%	0.226	C	C	.	.			trans	-60	123.6	162.8	-68.8	-82.6	0	0	0	110.1	G222 R223 F224 D336	H220-G222 VanDerWaalsContact C-N 3.27Å; H220-G222 PolarHBondContact O-N 3.07Å; H220-R223 HydrophobicContact CB-CB 4.46Å; H220-R223 HydrophobicContact CB-CG 3.99Å; H220-R223 PolarHBondContact O-N 2.65Å; H220-F224 PolarHBondContact O-N 3.4Å; H220-D336 IonicContact CE1-OD2 3.86Å; H220-D336 PolarHBondContact CE1-OD2 3.2Å; H220-D336 IonicContact NE2-OD2 3.59Å
221	H	97.9	Very high	95.4	Very high	19 Å²	19	37 Å²	37	9%	0.088	19%	0.192	C	C	.	.	H	α-helix	trans	-56.2	-42.1	-175.3	179.1	69.8	0	0	0	112.6	V159 G160 E161 F219 R223 F224 I225	V159-H221 PolarHBondContact O-ND1 2.85Å; G160-H221 PolarHBondContact O-ND1 3Å; E161-H221 HydrophobicContact CG-CB 3.9Å; F219-H221 PolarHBondContact O-N 3.13Å; H221-R223 PolarHBondContact O-N 2.84Å; H221-F224 PolarHBondContact O-N 3.42Å; H221-I225 WeakPolarHBondContact NE2-CG1 3.26Å; H221-I225 WeakPolarHBondContact O-CG1 3.44Å; H221-I225 PolarHBondContact O-N 3.34Å
222	G	97.9	Very high	96.5	Very high	4 Å²	4	31.3 Å²	31.3	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-55.3	-51.6	179.7	0	0	0	0	0	113.1	E154 P155 H220 F224 I225 M226	E154-G222 VanDerWaalsContact CG-C 3.47Å; E154-G222 VanDerWaalsContact CG-CA 3.49Å; P155-G222 WeakPolarHBondContact O-CA 3.39Å; P155-G222 PolarHBondContact O-N 3.41Å; H220-G222 VanDerWaalsContact C-N 3.27Å; H220-G222 PolarHBondContact O-N 3.07Å; G222-F224 VanDerWaalsContact C-N 3.28Å; G222-F224 PolarHBondContact O-N 3.13Å; G222-I225 PolarHBondContact O-N 2.69Å; G222-I225 VanDerWaalsContact O-N 3.15Å; G222-M226 WeakPolarHBondContact O-CG 3.29Å; G222-M226 PolarHBondContact O-N 3.21Å
223	R	98.2	Very high	97.1	Very high	88 Å²	88	32.4 Å²	32.4	33%	0.332	15%	0.152	S	C	.	.	H	α-helix	trans	-56.6	-41.3	178.3	-59	-174	-175.4	172.2	0.6	112.2	E154 L183 H220 H221 M226 G227	E154-R223 VanDerWaalsContact OE1-CG 3.29Å; E154-R223 WeakPolarHBondContact OE1-CG 3.49Å; E154-R223 PolarHBondContact OE1-N 3.02Å; L183-R223 HydrophobicContact CB-CB 4.2Å; L183-R223 HydrophobicContact CD1-CB 4.22Å; L183-R223 HydrophobicContact CD2-CB 4.03Å; L183-R223 HydrophobicContact CG-CB 4.37Å; L183-R223 WeakPolarHBondContact O-CD 3.48Å; L183-R223 PolarHBondContact O-NH1 3.45Å; H220-R223 HydrophobicContact CB-CB 4.46Å; H220-R223 HydrophobicContact CB-CG 3.99Å; H220-R223 PolarHBondContact O-N 2.65Å; H221-R223 PolarHBondContact O-N 2.84Å; R223-M226 PolarHBondContact O-N 3Å; R223-G227 PolarHBondContact O-N 3.13Å
224	F	98.5	Very high	97.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-43.9	176.7	176.4	-125.4	0	0	0	112.6	V129 L171 V180 L183 F219 H220 H221 G222 M226 G227 L228 M416	V129-F224 HydrophobicContact CG1-CE1 4.32Å; V129-F224 HydrophobicContact CG2-CE1 4.16Å; L171-F224 HydrophobicContact CD1-CZ 4.45Å; L171-F224 HydrophobicContact CD2-CE2 3.97Å; L171-F224 HydrophobicContact CD2-CZ 4.34Å; V180-F224 HydrophobicContact CG1-CD2 3.64Å; V180-F224 HydrophobicContact CG1-CE2 3.58Å; L183-F224 HydrophobicContact CD1-CB 3.99Å; F219-F224 HydrophobicContact CD2-CB 3.49Å; F219-F224 VanDerWaalsContact CD2-CB 3.49Å; F219-F224 HydrophobicContact CD2-CD1 4.42Å; F219-F224 HydrophobicContact CD2-CG 4.06Å; F219-F224 HydrophobicContact CE1-CD2 4.45Å; F219-F224 HydrophobicContact CE1-CG 4.37Å; F219-F224 HydrophobicContact CE2-CB 3.34Å; F219-F224 AromaticContact CE2-CD1 3.41Å; F219-F224 HydrophobicContact CE2-CD1 3.41Å; F219-F224 VanDerWaalsContact CE2-CD1 3.41Å; F219-F224 HydrophobicContact CE2-CD2 4.25Å; F219-F224 HydrophobicContact CE2-CE1 4.23Å; F219-F224 AromaticContact CE2-CG 3.41Å; F219-F224 HydrophobicContact CE2-CG 3.41Å; F219-F224 VanDerWaalsContact CE2-CG 3.41Å; F219-F224 HydrophobicContact CG-CB 4.24Å; F219-F224 HydrophobicContact CZ-CB 3.98Å; F219-F224 AromaticContact CZ-CD1 3.56Å; F219-F224 HydrophobicContact CZ-CD1 3.56Å; F219-F224 HydrophobicContact CZ-CD2 4.01Å; F219-F224 AromaticContact CZ-CE1 3.97Å; F219-F224 HydrophobicContact CZ-CE1 3.97Å; F219-F224 HydrophobicContact CZ-CE2 4.38Å; F219-F224 AromaticContact CZ-CG 3.57Å; F219-F224 HydrophobicContact CZ-CG 3.57Å; F219-F224 HydrophobicContact CZ-CZ 4.36Å; H220-F224 PolarHBondContact O-N 3.4Å; H221-F224 PolarHBondContact O-N 3.42Å; G222-F224 VanDerWaalsContact C-N 3.28Å; G222-F224 PolarHBondContact O-N 3.13Å; F224-M226 VanDerWaalsContact C-N 3.3Å; F224-M226 PolarHBondContact O-N 3.11Å; F224-G227 PolarHBondContact O-N 3.04Å; F224-L228 HydrophobicContact CD1-CD1 4.21Å; F224-L228 HydrophobicContact CD2-CG 4.29Å; F224-L228 HydrophobicContact CE1-CD1 3.72Å; F224-L228 HydrophobicContact CE1-CG 4.44Å; F224-L228 HydrophobicContact CE2-CD1 4.05Å; F224-L228 HydrophobicContact CE2-CD2 4.02Å; F224-L228 HydrophobicContact CE2-CG 3.88Å; F224-L228 HydrophobicContact CZ-CD1 3.63Å; F224-L228 HydrophobicContact CZ-CD2 4.11Å; F224-L228 HydrophobicContact CZ-CG 3.98Å; F224-L228 WeakPolarHBondContact O-CG 3.25Å; F224-L228 PolarHBondContact O-N 3.37Å; F224-M416 HydrophobicContact CD1-SD 4.16Å; F224-M416 HydrophobicContact CE1-SD 3.87Å
225	I	98.5	Very high	97.8	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-43.1	174.5	-65.8	-60.4	0	0	0	111	V129 P155 H221 G222 G227 L228 R229	V129-I225 HydrophobicContact CB-CD1 4.48Å; V129-I225 HydrophobicContact CG2-CD1 3.59Å; P155-I225 HydrophobicContact CG-CB 3.8Å; P155-I225 HydrophobicContact CG-CG1 3.88Å; P155-I225 HydrophobicContact CG-CG2 3.87Å; H221-I225 WeakPolarHBondContact NE2-CG1 3.26Å; H221-I225 WeakPolarHBondContact O-CG1 3.44Å; H221-I225 PolarHBondContact O-N 3.34Å; G222-I225 PolarHBondContact O-N 2.69Å; G222-I225 VanDerWaalsContact O-N 3.15Å; I225-G227 VanDerWaalsContact C-N 3.33Å; I225-G227 PolarHBondContact O-N 3.41Å; I225-L228 PolarHBondContact O-N 2.99Å; I225-R229 HydrophobicContact CG2-CG 4.28Å; I225-R229 VanDerWaalsContact CG2-NE 3.35Å; I225-R229 WeakPolarHBondContact O-CB 3.42Å; I225-R229 VanDerWaalsContact O-CG 3.31Å; I225-R229 WeakPolarHBondContact O-CG 3.33Å; I225-R229 PolarHBondContact O-N 3.5Å
226	M	98.3	Very high	98	Very high	53 Å²	53	36.9 Å²	36.9	26%	0.261	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-36.6	176.8	-64.8	-50.4	-64.6	0	0	112.3	L152 E154 G222 R223 F224 R230	L152-M226 WeakPolarHBondContact O-CE 3.27Å; E154-M226 HydrophobicContact CB-CG 3.86Å; E154-M226 HydrophobicContact CB-SD 4.37Å; E154-M226 HydrophobicContact CG-CG 4.02Å; G222-M226 WeakPolarHBondContact O-CG 3.29Å; G222-M226 PolarHBondContact O-N 3.21Å; R223-M226 PolarHBondContact O-N 3Å; F224-M226 VanDerWaalsContact C-N 3.3Å; F224-M226 PolarHBondContact O-N 3.11Å; M226-R230 WeakPolarHBondContact O-CB 3.39Å; M226-R230 PolarHBondContact O-N 3.08Å
227	G	98	Very high	98	Very high	5 Å²	5	40 Å²	40	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-59	-48.9	171.1	0	0	0	0	0	112.4	R223 F224 I225 R230 A231	R223-G227 PolarHBondContact O-N 3.13Å; F224-G227 PolarHBondContact O-N 3.04Å; I225-G227 VanDerWaalsContact C-N 3.33Å; I225-G227 PolarHBondContact O-N 3.41Å; G227-R230 PolarHBondContact O-N 3.24Å; G227-A231 PolarHBondContact O-N 2.76Å
228	L	98.6	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-43.3	177.8	-69	174	0	0	0	112.6	V129 L171 M176 F224 I225 R230 A231 A232	V129-L228 HydrophobicContact CB-CD1 4.36Å; V129-L228 HydrophobicContact CG1-CD1 4.23Å; V129-L228 HydrophobicContact CG2-CD1 4.49Å; L171-L228 HydrophobicContact CD1-CD2 3.89Å; M176-L228 HydrophobicContact CE-CD2 3.65Å; M176-L228 HydrophobicContact SD-CD2 4.33Å; F224-L228 HydrophobicContact CD1-CD1 4.21Å; F224-L228 HydrophobicContact CD2-CG 4.29Å; F224-L228 HydrophobicContact CE1-CD1 3.72Å; F224-L228 HydrophobicContact CE1-CG 4.44Å; F224-L228 HydrophobicContact CE2-CD1 4.05Å; F224-L228 HydrophobicContact CE2-CD2 4.02Å; F224-L228 HydrophobicContact CE2-CG 3.88Å; F224-L228 HydrophobicContact CZ-CD1 3.63Å; F224-L228 HydrophobicContact CZ-CD2 4.11Å; F224-L228 HydrophobicContact CZ-CG 3.98Å; F224-L228 WeakPolarHBondContact O-CG 3.25Å; F224-L228 PolarHBondContact O-N 3.37Å; I225-L228 PolarHBondContact O-N 2.99Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.85Å; L228-A231 PolarHBondContact O-N 3.03Å; L228-A232 PolarHBondContact O-N 3.28Å
229	R	98.5	Very high	98	Very high	13 Å²	13	42.5 Å²	42.5	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-41.1	177	-73.4	172.3	178.7	176.9	-6.1	111.3	A127 E149 D151 L152 K153 I225 A232 L233	A127-R229 HydrophobicContact CB-CG 4.28Å; A127-R229 PolarHBondContact O-NE 3.24Å; A127-R229 PolarHBondContact O-NH2 3.27Å; E149-R229 IonicContact OE1-NH2 3.55Å; E149-R229 IonicContact OE2-NH2 3.62Å; D151-R229 PolarHBondContact O-NH1 3.33Å; D151-R229 PolarHBondContact O-NH2 3.16Å; L152-R229 PolarHBondContact O-NH1 2.74Å; K153-R229 PolarHBondContact O-NH1 2.97Å; I225-R229 HydrophobicContact CG2-CG 4.28Å; I225-R229 VanDerWaalsContact CG2-NE 3.35Å; I225-R229 WeakPolarHBondContact O-CB 3.42Å; I225-R229 VanDerWaalsContact O-CG 3.31Å; I225-R229 WeakPolarHBondContact O-CG 3.33Å; I225-R229 PolarHBondContact O-N 3.5Å; R229-A232 PolarHBondContact O-N 2.93Å; R229-L233 WeakPolarHBondContact O-CB 3.39Å; R229-L233 WeakPolarHBondContact O-CG 3.26Å; R229-L233 PolarHBondContact O-N 3.06Å
230	R	97.8	Very high	98	Very high	166 Å²	166	44.3 Å²	44.3	63%	0.626	24%	0.239	S	C	*	.	H	α-helix	trans	-62.5	-43.1	174.8	-170.6	-173.7	-57.1	123.5	2.8	111.7	M226 G227 L228 A232 L233 A234	M226-R230 WeakPolarHBondContact O-CB 3.39Å; M226-R230 PolarHBondContact O-N 3.08Å; G227-R230 PolarHBondContact O-N 3.24Å; L228-R230 VanDerWaalsContact C-N 3.32Å; L228-R230 PolarHBondContact O-N 2.85Å; R230-A232 VanDerWaalsContact C-N 3.33Å; R230-A232 PolarHBondContact O-N 2.93Å; R230-L233 PolarHBondContact O-N 3.39Å; R230-A234 PolarHBondContact O-N 3.18Å
231	A	97.6	Very high	98	Very high	20 Å²	20	44.3 Å²	44.3	17%	0.165	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-38.1	176.8	0	0	0	0	0	112.2	M176 G227 L228	M176-A231 HydrophobicContact CE-CB 3.6Å; G227-A231 PolarHBondContact O-N 2.76Å; L228-A231 PolarHBondContact O-N 3.03Å
232	A	98.1	Very high	98	Very high	6 Å²	6	45.6 Å²	45.6	5%	0.05	25%	0.245	C	C	.	.	H	α-helix	trans	-68.1	-45	174.3	0	0	0	0	0	112.5	A135 A136 L228 R229 R230 A234 E235 V238	A135-A232 HydrophobicContact CB-CB 4.19Å; A136-A232 HydrophobicContact CB-CB 4.17Å; L228-A232 PolarHBondContact O-N 3.28Å; R229-A232 PolarHBondContact O-N 2.93Å; R230-A232 VanDerWaalsContact C-N 3.33Å; R230-A232 PolarHBondContact O-N 2.93Å; A232-A234 PolarHBondContact O-N 3.16Å; A232-E235 WeakPolarHBondContact O-CB 3.35Å; A232-E235 PolarHBondContact O-N 3.31Å; A232-E235 VanDerWaalsContact O-N 3.11Å; A232-V238 WeakPolarHBondContact O-CB 3.33Å; A232-V238 WeakPolarHBondContact O-CG2 3.38Å
233	L	97.3	Very high	98	Very high	94 Å²	94	45.5 Å²	45.5	49%	0.492	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-21.7	178.4	-79.8	173.1	0	0	0	114.2	R229 R230 E235 L240	R229-L233 WeakPolarHBondContact O-CB 3.39Å; R229-L233 WeakPolarHBondContact O-CG 3.26Å; R229-L233 PolarHBondContact O-N 3.06Å; R230-L233 PolarHBondContact O-N 3.39Å; L233-E235 PolarHBondContact O-N 3.48Å; L233-L240 HydrophobicContact CD1-CD2 3.75Å; L233-L240 HydrophobicContact CD2-CB 3.52Å; L233-L240 HydrophobicContact CD2-CD2 3.75Å; L233-L240 HydrophobicContact CD2-CG 4.31Å; L233-L240 HydrophobicContact CG-CB 4.41Å; L233-L240 HydrophobicContact CG-CD2 3.79Å
234	A	97.4	Very high	98	Very high	77 Å²	77	44.3 Å²	44.3	64%	0.636	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-16.3	175	0	0	0	0	0	112.5	R230 A232	R230-A234 PolarHBondContact O-N 3.18Å; A232-A234 PolarHBondContact O-N 3.16Å
235	E	98.2	Very high	98	Very high	35 Å²	35	44.9 Å²	44.9	16%	0.164	25%	0.25	C	S	.	.	S	Bend	trans	-83.9	128.8	178.6	-55.5	-58.8	154.1	0	0	110.7	A136 A139 R140 A232 L233 N237 V238	A136-E235 HydrophobicContact CB-CG 4.47Å; A139-E235 HydrophobicContact CB-CB 3.77Å; A139-E235 HydrophobicContact CB-CG 4.26Å; R140-E235 VanDerWaalsContact CG-CD 3.49Å; R140-E235 HydrophobicContact CG-CG 4.32Å; R140-E235 VanDerWaalsContact CG-OE2 3.28Å; R140-E235 WeakPolarHBondContact CG-OE2 3.12Å; R140-E235 IonicContact CZ-OE1 3.5Å; R140-E235 VanDerWaalsContact CZ-OE1 3.25Å; R140-E235 IonicContact NE-OE1 3.57Å; R140-E235 PolarHBondContact NE-OE1 3.33Å; R140-E235 IonicContact NE-OE2 2.64Å; R140-E235 IonicContact NH2-OE1 2.68Å; R140-E235 PolarHBondContact NH2-OE1 2.86Å; A232-E235 WeakPolarHBondContact O-CB 3.35Å; A232-E235 PolarHBondContact O-N 3.31Å; A232-E235 VanDerWaalsContact O-N 3.11Å; L233-E235 PolarHBondContact O-N 3.48Å; E235-N237 PolarHBondContact O-N 3.42Å; E235-N237 VanDerWaalsContact O-N 3.14Å; E235-V238 HydrophobicContact CB-CG2 3.86Å; E235-V238 PolarHBondContact O-N 3.19Å; E235-V238 VanDerWaalsContact O-N 3.16Å
236	P	97.2	Very high	98	Very high	118 Å²	118	47.8 Å²	47.8	77%	0.766	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.3	-173.1	26.3	-35.4	0	0	0	113.9
237	N	97.3	Very high	97.9	Very high	64 Å²	64	47 Å²	47	34%	0.342	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	6.3	-178.9	-63.2	-28.3	0	0	0	113.4	A139 R143 V145 E235	A139-N237 HydrophobicContact CB-CB 4.07Å; A139-N237 PolarHBondContact O-ND2 3.33Å; R143-N237 VanDerWaalsContact O-CB 3.28Å; R143-N237 WeakPolarHBondContact O-CB 3.38Å; V145-N237 PolarHBondContact N-O 3.15Å; E235-N237 PolarHBondContact O-N 3.42Å; E235-N237 VanDerWaalsContact O-N 3.14Å
238	V	98.5	Very high	97.9	Very high	16 Å²	16	47.7 Å²	47.7	10%	0.097	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.5	177	176.8	0	0	0	0	110.1	A135 A139 V145 V147 A232 E235	A135-V238 HydrophobicContact CB-CG2 4.41Å; A139-V238 HydrophobicContact CB-CG2 3.41Å; A139-V238 VanDerWaalsContact CB-CG2 3.41Å; V145-V238 CarbonylContact O-C 3.52Å; V145-V238 WeakPolarHBondContact O-CA 3.27Å; V147-V238 HydrophobicContact CG2-CG1 4.34Å; A232-V238 WeakPolarHBondContact O-CB 3.33Å; A232-V238 WeakPolarHBondContact O-CG2 3.38Å; E235-V238 HydrophobicContact CB-CG2 3.86Å; E235-V238 PolarHBondContact O-N 3.19Å; E235-V238 VanDerWaalsContact O-N 3.16Å
239	T	98.2	Very high	97.9	Very high	78 Å²	78	49.9 Å²	49.9	48%	0.479	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124	165.7	-58.9	0	0	0	0	109	V145 T146 V147 I241	V145-T239 PolarHBondContact O-N 2.98Å; T146-T239 CarbonylContact C-O 3.49Å; T146-T239 WeakPolarHBondContact CA-O 3.25Å; V147-T239 PolarHBondContact N-O 2.99Å; T239-I241 HydrophobicContact CG2-CG1 4.16Å
240	L	97.6	Very high	97.8	Very high	39 Å²	39	53.2 Å²	53.2	20%	0.204	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.4	177	-171.4	63	0	0	0	109.5	A127 V147 L152 L233	A127-L240 HydrophobicContact CB-CD1 4.12Å; V147-L240 HydrophobicContact CB-CD1 3.61Å; V147-L240 HydrophobicContact CG1-CD1 3.75Å; L152-L240 HydrophobicContact CD1-CD2 3.87Å; L152-L240 HydrophobicContact CD1-CG 3.93Å; L152-L240 HydrophobicContact CD2-CD1 3.96Å; L152-L240 HydrophobicContact CD2-CD2 3.51Å; L152-L240 HydrophobicContact CD2-CG 3.77Å; L152-L240 HydrophobicContact CG-CD2 4.35Å; L233-L240 HydrophobicContact CD1-CD2 3.75Å; L233-L240 HydrophobicContact CD2-CB 3.52Å; L233-L240 HydrophobicContact CD2-CD2 3.75Å; L233-L240 HydrophobicContact CD2-CG 4.31Å; L233-L240 HydrophobicContact CG-CB 4.41Å; L233-L240 HydrophobicContact CG-CD2 3.79Å
241	I	98.1	Very high	97.6	Very high	32 Å²	32	51.1 Å²	51.1	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.4	-178.6	-59	177.4	0	0	0	108.4	T146 V147 I148 E149 T239 G243 Y260	T146-I241 HydrophobicContact CG2-CD1 3.6Å; T146-I241 HydrophobicContact CG2-CG1 4.18Å; V147-I241 PolarHBondContact O-N 2.78Å; I148-I241 WeakPolarHBondContact CA-O 3.43Å; I148-I241 HydrophobicContact CG1-CB 4.28Å; E149-I241 PolarHBondContact N-O 3.2Å; T239-I241 HydrophobicContact CG2-CG1 4.16Å; I241-G243 PolarHBondContact O-N 3.5Å; I241-Y260 HydrophobicContact CG2-CD2 4.35Å; I241-Y260 HydrophobicContact CG2-CE2 3.67Å
242	E	98.4	Very high	97.4	Very high	46 Å²	46	58.8 Å²	58.8	22%	0.215	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	107.3	170.1	-157.6	170.8	-170	0	0	109.8	E149 D151 L152 K263	E149-E242 CarbonylContact O-C 3.6Å; E149-E242 VanDerWaalsContact O-CA 3.28Å; E149-E242 WeakPolarHBondContact O-CA 3.44Å; D151-E242 WeakPolarHBondContact CA-OE1 3.32Å; L152-E242 HydrophobicContact CB-CG 4.32Å; L152-E242 HydrophobicContact CD1-CB 3.8Å; L152-E242 HydrophobicContact CD1-CG 4.18Å; L152-E242 HydrophobicContact CG-CB 4.03Å; L152-E242 HydrophobicContact CG-CG 3.87Å; L152-E242 PolarHBondContact N-OE1 2.81Å; E242-K263 HydrophobicContact CB-CB 4.35Å; E242-K263 HydrophobicContact CB-CD 4.44Å; E242-K263 HydrophobicContact CG-CB 4.2Å; E242-K263 HydrophobicContact CG-CD 3.51Å; E242-K263 VanDerWaalsContact O-CB 3.23Å; E242-K263 WeakPolarHBondContact O-CB 3.46Å; E242-K263 PolarHBondContact O-N 3.5Å; E242-K263 WeakPolarHBondContact OE1-CD 3.43Å; E242-K263 IonicContact OE1-NZ 3.38Å; E242-K263 PolarHBondContact OE1-NZ 2.79Å
243	G	98.2	Very high	97.1	Very high	2 Å²	2	60.5 Å²	60.5	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	161	-173	0	0	0	0	0	112.9	I148 E149 R150 I241 R261	I148-G243 WeakPolarHBondContact CG2-O 3.5Å; E149-G243 CarbonylContact C-O 3.6Å; E149-G243 PolarHBondContact O-N 2.95Å; R150-G243 VanDerWaalsContact CA-O 3.25Å; R150-G243 WeakPolarHBondContact CA-O 3.43Å; R150-G243 PolarHBondContact N-O 3.34Å; I241-G243 PolarHBondContact O-N 3.5Å; G243-R261 CarbonylContact C-O 3.59Å; G243-R261 WeakPolarHBondContact CA-O 3.43Å
244	T	98.4	Very high	97	Very high	64 Å²	64	57.4 Å²	57.4	39%	0.393	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.2	178.1	-60	0	0	0	0	110.2	S246 Y260 R261	T244-S246 PolarHBondContact O-N 3.42Å; T244-Y260 WeakPolarHBondContact O-CA 3.33Å; T244-R261 PolarHBondContact N-O 3.25Å; T244-R261 PolarHBondContact O-N 3.27Å
245	V	98.5	Very high	97	Very high	11 Å²	11	53.8 Å²	53.8	7%	0.067	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	128.3	173.4	-174.6	0	0	0	0	110.2	V125 I148 V258 Q259 F286	V125-V245 HydrophobicContact CB-CG2 4.4Å; V125-V245 HydrophobicContact CG1-CB 3.9Å; V125-V245 HydrophobicContact CG1-CG1 4.35Å; V125-V245 HydrophobicContact CG1-CG2 3.68Å; V125-V245 HydrophobicContact CG2-CG1 4.38Å; V125-V245 HydrophobicContact CG2-CG2 4.08Å; I148-V245 HydrophobicContact CB-CG2 3.92Å; I148-V245 HydrophobicContact CD1-CG2 4.07Å; I148-V245 HydrophobicContact CG2-CG2 3.68Å; V245-V258 HydrophobicContact CG1-CB 3.8Å; V245-V258 HydrophobicContact CG1-CG1 4.16Å; V245-V258 HydrophobicContact CG1-CG2 4.28Å; V245-V258 HydrophobicContact CG2-CG2 4.41Å; V245-Q259 WeakPolarHBondContact CG1-O 3.17Å; V245-F286 HydrophobicContact CB-CE2 4.33Å; V245-F286 HydrophobicContact CB-CZ 4.03Å; V245-F286 HydrophobicContact CG1-CE1 4.36Å; V245-F286 HydrophobicContact CG1-CE2 4.14Å; V245-F286 HydrophobicContact CG1-CZ 3.59Å
246	S	97	Very high	97	Very high	65 Å²	65	53.6 Å²	53.6	46%	0.455	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-41.2	-177.2	44.3	0	0	0	0	112.8	T244 Q259	T244-S246 PolarHBondContact O-N 3.42Å; S246-Q259 PolarHBondContact N-O 3.37Å; S246-Q259 PolarHBondContact OG-O 3.32Å; S246-Q259 VanDerWaalsContact OG-O 3.09Å; S246-Q259 PolarHBondContact OG-OE1 3Å
247	S	97.8	Very high	97	Very high	36 Å²	36	48 Å²	48	25%	0.252	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.5	-179.1	47.3	0	0	0	0	111.9	E249 V258 Q259	S247-E249 PolarHBondContact OG-OE1 3.47Å; S247-V258 WeakPolarHBondContact O-CA 3.31Å; S247-Q259 PolarHBondContact N-O 3.43Å; S247-Q259 PolarHBondContact O-N 2.84Å; S247-Q259 VanDerWaalsContact O-N 3.14Å; S247-Q259 WeakPolarHBondContact OG-CB 3.29Å
248	L	98.1	Very high	97.1	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.099	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	129.1	162.7	-58.7	-179.6	0	0	0	106.8	V255 V258 T276 V278 F286 L290	L248-V255 HydrophobicContact CB-CG1 4.26Å; L248-V255 HydrophobicContact CD1-CG2 4.44Å; L248-V258 HydrophobicContact CD2-CG1 3.78Å; L248-T276 HydrophobicContact CD2-CG2 4.12Å; L248-V278 HydrophobicContact CD1-CG2 4.37Å; L248-V278 HydrophobicContact CD2-CG2 4.14Å; L248-F286 HydrophobicContact CD1-CB 4.22Å; L248-F286 HydrophobicContact CD1-CD1 4.25Å; L248-F286 HydrophobicContact CD1-CG 4.41Å; L248-F286 HydrophobicContact CD2-CD1 4.19Å; L248-F286 HydrophobicContact CD2-CE1 4.44Å; L248-F286 HydrophobicContact CD2-CG 4.42Å; L248-F286 HydrophobicContact CG-CD1 3.77Å; L248-F286 HydrophobicContact CG-CE1 4.26Å; L248-F286 HydrophobicContact CG-CG 4.26Å; L248-L290 HydrophobicContact CD1-CD1 4.24Å; L248-L290 HydrophobicContact CD1-CD2 4.25Å; L248-L290 HydrophobicContact CD1-CG 4.44Å
249	E	97.8	Very high	97.1	Very high	47 Å²	47	46.6 Å²	46.6	22%	0.22	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.8	176.6	-60.2	-49.1	122.3	0	0	109	S247 V255 T256 G257 Q259	S247-E249 PolarHBondContact OG-OE1 3.47Å; E249-V255 CarbonylContact O-C 3.54Å; E249-V255 VanDerWaalsContact O-CA 3.29Å; E249-V255 WeakPolarHBondContact O-CA 3.46Å; E249-T256 PolarHBondContact O-N 3.29Å; E249-G257 PolarHBondContact N-O 3.39Å; E249-Q259 HydrophobicContact CG-CB 4.47Å; E249-Q259 VanDerWaalsContact OE1-CB 3.3Å; E249-Q259 WeakPolarHBondContact OE1-CB 3.47Å
250	E	95.9	Very high	97.1	Very high	83 Å²	83	43.7 Å²	43.7	39%	0.388	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129	-172.6	-65.7	-173.5	-161.4	0	0	111.3	C254 V255 K395	E250-C254 CarbonylContact C-O 3.54Å; E250-C254 VanDerWaalsContact CA-O 3.24Å; E250-C254 WeakPolarHBondContact CA-O 3.44Å; E250-V255 HydrophobicContact CG-CG2 3.99Å; E250-K395 IonicContact OE1-NZ 2.98Å; E250-K395 PolarHBondContact OE1-NZ 2.93Å; E250-K395 IonicContact OE2-NZ 3.31Å; E250-K395 PolarHBondContact OE2-NZ 3.38Å
251	E	94.9	Very high	97.1	Very high	122 Å²	122	48.7 Å²	48.7	57%	0.57	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.8	172.7	-66.9	179.7	-173.3	0	0	109	G253 C254 T256	E251-G253 PolarHBondContact O-N 3.22Å; E251-C254 PolarHBondContact N-O 3.26Å; E251-C254 WeakPolarHBondContact O-CB 3.41Å; E251-C254 PolarHBondContact O-N 3.09Å; E251-T256 HydrophobicContact CB-CG2 3.95Å; E251-T256 HydrophobicContact CG-CG2 4.18Å
252	D	92.4	Very high	97.1	Very high	180 Å²	180	48 Å²	48	96%	0.963	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	32.3	-178.3	-64.2	-36.3	0	0	0	114.6	C254	D252-C254 VanDerWaalsContact C-N 3.32Å
253	G	91.6	Very high	97	Very high	43 Å²	43	50.4 Å²	50.4	44%	0.443	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	7.2	-178.7	0	0	0	0	0	115.1	E251	E251-G253 PolarHBondContact O-N 3.22Å
254	C	96	Very high	96.8	Very high	28 Å²	28	58.8 Å²	58.8	19%	0.189	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	134.5	172.5	-173.1	0	0	0	0	110.6	E250 E251 D252 T256 P396	E250-C254 CarbonylContact C-O 3.54Å; E250-C254 VanDerWaalsContact CA-O 3.24Å; E250-C254 WeakPolarHBondContact CA-O 3.44Å; E251-C254 PolarHBondContact N-O 3.26Å; E251-C254 WeakPolarHBondContact O-CB 3.41Å; E251-C254 PolarHBondContact O-N 3.09Å; D252-C254 VanDerWaalsContact C-N 3.32Å; C254-T256 PolarHBondContact O-N 3.04Å; C254-P396 HydrophobicContact CB-CB 4.39Å; C254-P396 HydrophobicContact CB-CG 3.93Å
255	V	97.9	Very high	96.7	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.6	173.1	176.9	0	0	0	0	108.6	L248 E249 E250 K395 P396 G397 V398	L248-V255 HydrophobicContact CB-CG1 4.26Å; L248-V255 HydrophobicContact CD1-CG2 4.44Å; E249-V255 CarbonylContact O-C 3.54Å; E249-V255 VanDerWaalsContact O-CA 3.29Å; E249-V255 WeakPolarHBondContact O-CA 3.46Å; E250-V255 HydrophobicContact CG-CG2 3.99Å; V255-K395 HydrophobicContact CG2-CD 3.64Å; V255-K395 HydrophobicContact CG2-CG 4.17Å; V255-P396 PolarHBondContact N-O 3.11Å; V255-G397 WeakPolarHBondContact O-CA 3.28Å; V255-V398 HydrophobicContact CB-CB 3.91Å; V255-V398 HydrophobicContact CB-CG1 4.33Å; V255-V398 HydrophobicContact CG1-CB 4.26Å; V255-V398 HydrophobicContact CG2-CB 3.77Å; V255-V398 HydrophobicContact CG2-CG1 3.76Å; V255-V398 HydrophobicContact CG2-CG2 4.47Å
256	T	97.4	Very high	96.5	Very high	31 Å²	31	60.3 Å²	60.3	19%	0.19	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-7.9	-177.4	57.6	0	0	0	0	113	E249 E251 C254 H272 A273	E249-T256 PolarHBondContact O-N 3.29Å; E251-T256 HydrophobicContact CB-CG2 3.95Å; E251-T256 HydrophobicContact CG-CG2 4.18Å; C254-T256 PolarHBondContact O-N 3.04Å; T256-H272 VanDerWaalsContact O-CA 3.26Å; T256-H272 WeakPolarHBondContact O-CA 3.42Å; T256-H272 WeakPolarHBondContact O-CB 3.28Å; T256-H272 PolarHBondContact O-ND1 3.44Å; T256-A273 PolarHBondContact O-N 2.93Å
257	G	97.6	Very high	96.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-162.8	-177.6	0	0	0	0	0	113.3	E249 V271	E249-G257 PolarHBondContact N-O 3.39Å; G257-V271 CarbonylContact C-O 3.54Å; G257-V271 WeakPolarHBondContact CA-O 3.4Å
258	V	98.5	Very high	96.5	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148	175.7	-55	0	0	0	0	111.4	I123 V125 I148 V245 S247 L248 E270 V271 T276	I123-V258 HydrophobicContact CG2-CG1 4.23Å; I123-V258 HydrophobicContact CG2-CG2 3.9Å; V125-V258 HydrophobicContact CG2-CG1 4.08Å; I148-V258 HydrophobicContact CD1-CG2 3.65Å; V245-V258 HydrophobicContact CG1-CB 3.8Å; V245-V258 HydrophobicContact CG1-CG1 4.16Å; V245-V258 HydrophobicContact CG1-CG2 4.28Å; V245-V258 HydrophobicContact CG2-CG2 4.41Å; S247-V258 WeakPolarHBondContact O-CA 3.31Å; L248-V258 HydrophobicContact CD2-CG1 3.78Å; V258-E270 WeakPolarHBondContact O-CA 3.15Å; V258-V271 HydrophobicContact CG2-CG1 3.59Å; V258-V271 PolarHBondContact N-O 3.3Å; V258-V271 PolarHBondContact O-N 3.18Å; V258-T276 HydrophobicContact CG1-CG2 3.59Å
259	Q	98.3	Very high	96.5	Very high	51 Å²	51	65.8 Å²	65.8	24%	0.238	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	136.3	163.4	-172.3	-177.7	87.9	0	0	109.3	V245 S246 S247 E249 T268 K269 E270	V245-Q259 WeakPolarHBondContact CG1-O 3.17Å; S246-Q259 PolarHBondContact N-O 3.37Å; S246-Q259 PolarHBondContact OG-O 3.32Å; S246-Q259 VanDerWaalsContact OG-O 3.09Å; S246-Q259 PolarHBondContact OG-OE1 3Å; S247-Q259 PolarHBondContact N-O 3.43Å; S247-Q259 PolarHBondContact O-N 2.84Å; S247-Q259 VanDerWaalsContact O-N 3.14Å; S247-Q259 WeakPolarHBondContact OG-CB 3.29Å; E249-Q259 HydrophobicContact CG-CB 4.47Å; E249-Q259 VanDerWaalsContact OE1-CB 3.3Å; E249-Q259 WeakPolarHBondContact OE1-CB 3.47Å; Q259-T268 HydrophobicContact CG-CG2 3.27Å; Q259-K269 CarbonylContact C-O 3.5Å; Q259-K269 WeakPolarHBondContact CA-O 3.42Å; Q259-E270 HydrophobicContact CB-CG 4.08Å; Q259-E270 HydrophobicContact CG-CG 4.03Å; Q259-E270 PolarHBondContact NE2-OE1 2.89Å; Q259-E270 VanDerWaalsContact NE2-OE1 3.09Å
260	Y	98.4	Very high	96.5	Very high	18 Å²	18	68.8 Å²	68.8	7%	0.071	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	154.5	178.9	71.1	-81.9	0	0	0	111.7	I148 I241 T244 D262 T268 K269 V271	I148-Y260 HydrophobicContact CD1-CD1 3.69Å; I148-Y260 HydrophobicContact CD1-CE1 4.19Å; I148-Y260 HydrophobicContact CD1-CG 3.92Å; I148-Y260 HydrophobicContact CG2-CD2 4.4Å; I148-Y260 HydrophobicContact CG2-CG 4.37Å; I241-Y260 HydrophobicContact CG2-CD2 4.35Å; I241-Y260 HydrophobicContact CG2-CE2 3.67Å; T244-Y260 WeakPolarHBondContact O-CA 3.33Å; Y260-D262 HydrophobicContact CE2-CB 4.21Å; Y260-T268 CarbonylContact O-C 3.54Å; Y260-T268 WeakPolarHBondContact O-CA 3.4Å; Y260-K269 HydrophobicContact CD1-CB 4.36Å; Y260-K269 WeakPolarHBondContact CD1-O 3.42Å; Y260-K269 HydrophobicContact CE1-CB 3.73Å; Y260-K269 HydrophobicContact CE2-CB 4.18Å; Y260-K269 HydrophobicContact CE2-CD 4.31Å; Y260-K269 PolarHBondContact N-O 3.41Å; Y260-K269 PolarHBondContact O-N 2.84Å; Y260-K269 WeakPolarHBondContact OH-CD 3.27Å; Y260-V271 HydrophobicContact CD1-CG1 4.23Å; Y260-V271 HydrophobicContact CE1-CB 4.43Å; Y260-V271 HydrophobicContact CE1-CG1 4.07Å
261	R	98.1	Very high	96.5	Very high	143 Å²	143	65.8 Å²	65.8	54%	0.54	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.3	168.6	-175	177.8	-66.9	-93.2	1.4	109.3	G243 T244 G266 D267	G243-R261 CarbonylContact C-O 3.59Å; G243-R261 WeakPolarHBondContact CA-O 3.43Å; T244-R261 PolarHBondContact N-O 3.25Å; T244-R261 PolarHBondContact O-N 3.27Å; R261-G266 PolarHBondContact NH1-O 3.25Å; R261-D267 WeakPolarHBondContact CA-O 3.45Å
262	D	97.6	Very high	96.7	Very high	17 Å²	17	62.8 Å²	62.8	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.2	174.3	-170.3	-73	0	0	0	110.2	Y260 E264 T265 G266 D267 K269	Y260-D262 HydrophobicContact CE2-CB 4.21Å; D262-E264 WeakPolarHBondContact OD1-CA 3.37Å; D262-E264 PolarHBondContact OD1-N 3.43Å; D262-T265 PolarHBondContact OD1-N 3.49Å; D262-G266 WeakPolarHBondContact O-CA 3.44Å; D262-G266 PolarHBondContact O-N 2.89Å; D262-D267 PolarHBondContact N-O 3.19Å; D262-K269 HydrophobicContact CB-CD 4.24Å; D262-K269 IonicContact OD2-NZ 2.78Å; D262-K269 PolarHBondContact OD2-NZ 2.85Å
263	K	96	Very high	96.9	Very high	98 Å²	98	54.3 Å²	54.3	43%	0.426	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-31.5	-177.2	-169.6	176.1	-177	170.7	0	112.8	R150 D151 E242	R150-K263 PolarHBondContact O-NZ 3.38Å; D151-K263 IonicContact OD1-NZ 3.59Å; D151-K263 PolarHBondContact OD1-NZ 2.89Å; E242-K263 HydrophobicContact CB-CB 4.35Å; E242-K263 HydrophobicContact CB-CD 4.44Å; E242-K263 HydrophobicContact CG-CB 4.2Å; E242-K263 HydrophobicContact CG-CD 3.51Å; E242-K263 VanDerWaalsContact O-CB 3.23Å; E242-K263 WeakPolarHBondContact O-CB 3.46Å; E242-K263 PolarHBondContact O-N 3.5Å; E242-K263 WeakPolarHBondContact OE1-CD 3.43Å; E242-K263 IonicContact OE1-NZ 3.38Å; E242-K263 PolarHBondContact OE1-NZ 2.79Å
264	E	94.8	Very high	97.1	Very high	177 Å²	177	52.6 Å²	52.6	83%	0.827	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-48.3	-177.3	-64.5	-171.4	166.4	0	0	111.1	D262	D262-E264 WeakPolarHBondContact OD1-CA 3.37Å; D262-E264 PolarHBondContact OD1-N 3.43Å
265	T	95.8	Very high	97.2	Very high	74 Å²	74	51.4 Å²	51.4	45%	0.454	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-24.1	-176.8	78.8	0	0	0	0	112.8	D262 D267	D262-T265 PolarHBondContact OD1-N 3.49Å; T265-D267 WeakPolarHBondContact CB-OD2 3.48Å; T265-D267 PolarHBondContact O-N 3.07Å; T265-D267 WeakPolarHBondContact OG1-CB 3.13Å; T265-D267 VanDerWaalsContact OG1-CG 3.26Å; T265-D267 PolarHBondContact OG1-N 3Å; T265-D267 PolarHBondContact OG1-OD2 2.93Å
266	G	95.3	Very high	97.3	Very high	33 Å²	33	51.3 Å²	51.3	34%	0.34	26%	0.258	S	S	.	.			trans	78.1	-3.3	-174.8	0	0	0	0	0	114.2	R261 D262	R261-G266 PolarHBondContact NH1-O 3.25Å; D262-G266 WeakPolarHBondContact O-CA 3.44Å; D262-G266 PolarHBondContact O-N 2.89Å
267	D	96.8	Very high	97.3	Very high	94 Å²	94	49.9 Å²	49.9	50%	0.503	25%	0.249	S	C	.	.			trans	-73.3	150.1	-178.6	-59	-44.7	0	0	0	111.7	R261 D262 T265 K269	R261-D267 WeakPolarHBondContact CA-O 3.45Å; D262-D267 PolarHBondContact N-O 3.19Å; T265-D267 WeakPolarHBondContact CB-OD2 3.48Å; T265-D267 PolarHBondContact O-N 3.07Å; T265-D267 WeakPolarHBondContact OG1-CB 3.13Å; T265-D267 VanDerWaalsContact OG1-CG 3.26Å; T265-D267 PolarHBondContact OG1-N 3Å; T265-D267 PolarHBondContact OG1-OD2 2.93Å; D267-K269 HydrophobicContact CB-CG 4.46Å
268	T	97.8	Very high	97.4	Very high	72 Å²	72	49.9 Å²	49.9	44%	0.442	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	123.1	167.1	-58.6	0	0	0	0	108.6	Q259 Y260	Q259-T268 HydrophobicContact CG-CG2 3.27Å; Y260-T268 CarbonylContact O-C 3.54Å; Y260-T268 WeakPolarHBondContact O-CA 3.4Å
269	K	97.4	Very high	97.4	Very high	70 Å²	70	50.4 Å²	50.4	30%	0.304	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.9	-179.8	-62.8	176.8	-173.1	168.5	0	109.9	Q259 Y260 D262 D267	Q259-K269 CarbonylContact C-O 3.5Å; Q259-K269 WeakPolarHBondContact CA-O 3.42Å; Y260-K269 HydrophobicContact CD1-CB 4.36Å; Y260-K269 WeakPolarHBondContact CD1-O 3.42Å; Y260-K269 HydrophobicContact CE1-CB 3.73Å; Y260-K269 HydrophobicContact CE2-CB 4.18Å; Y260-K269 HydrophobicContact CE2-CD 4.31Å; Y260-K269 PolarHBondContact N-O 3.41Å; Y260-K269 PolarHBondContact O-N 2.84Å; Y260-K269 WeakPolarHBondContact OH-CD 3.27Å; D262-K269 HydrophobicContact CB-CD 4.24Å; D262-K269 IonicContact OD2-NZ 2.78Å; D262-K269 PolarHBondContact OD2-NZ 2.85Å; D267-K269 HydrophobicContact CB-CG 4.46Å
270	E	97.4	Very high	97.3	Very high	110 Å²	110	50.1 Å²	50.1	51%	0.514	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.1	177.5	-73.4	165.4	-165.8	0	0	109.8	V258 Q259	V258-E270 WeakPolarHBondContact O-CA 3.15Å; Q259-E270 HydrophobicContact CB-CG 4.08Å; Q259-E270 HydrophobicContact CG-CG 4.03Å; Q259-E270 PolarHBondContact NE2-OE1 2.89Å; Q259-E270 VanDerWaalsContact NE2-OE1 3.09Å
271	V	97.6	Very high	97.2	Very high	20 Å²	20	50.2 Å²	50.2	12%	0.121	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	133.1	171.8	58.9	0	0	0	0	108.7	P120 I123 I148 G257 V258 Y260	P120-V271 HydrophobicContact CG-CG2 3.75Å; I123-V271 HydrophobicContact CD1-CB 4.33Å; I123-V271 HydrophobicContact CD1-CG1 3.81Å; I123-V271 HydrophobicContact CD1-CG2 4.04Å; I123-V271 WeakPolarHBondContact CD1-O 3.33Å; I123-V271 HydrophobicContact CG1-CG1 4.14Å; I123-V271 HydrophobicContact CG1-CG2 4.17Å; I148-V271 HydrophobicContact CD1-CG1 3.89Å; G257-V271 CarbonylContact C-O 3.54Å; G257-V271 WeakPolarHBondContact CA-O 3.4Å; V258-V271 HydrophobicContact CG2-CG1 3.59Å; V258-V271 PolarHBondContact N-O 3.3Å; V258-V271 PolarHBondContact O-N 3.18Å; Y260-V271 HydrophobicContact CD1-CG1 4.23Å; Y260-V271 HydrophobicContact CE1-CB 4.43Å; Y260-V271 HydrophobicContact CE1-CG1 4.07Å
272	H	97.9	Very high	97	Very high	58 Å²	58	44.9 Å²	44.9	27%	0.269	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.2	-178.3	-63.9	-86	0	0	0	111	P120 T256	P120-H272 WeakPolarHBondContact CD-O 3.43Å; T256-H272 VanDerWaalsContact O-CA 3.26Å; T256-H272 WeakPolarHBondContact O-CA 3.42Å; T256-H272 WeakPolarHBondContact O-CB 3.28Å; T256-H272 PolarHBondContact O-ND1 3.44Å
273	A	97.7	Very high	96.9	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	27%	0.269	C	S	.	.			trans	-160	160.3	175.5	0	0	0	0	0	110.4	P120 I123 T256 V275	P120-A273 HydrophobicContact CG-CB 4.33Å; P120-A273 WeakPolarHBondContact O-CA 3.46Å; P120-A273 VanDerWaalsContact O-CB 3.24Å; P120-A273 WeakPolarHBondContact O-CB 3.39Å; I123-A273 HydrophobicContact CB-CB 4.4Å; I123-A273 HydrophobicContact CD1-CB 3.52Å; I123-A273 HydrophobicContact CG1-CB 3.65Å; T256-A273 PolarHBondContact O-N 2.93Å; A273-V275 VanDerWaalsContact C-N 3.26Å; A273-V275 PolarHBondContact O-N 2.88Å
274	A	95.8	Very high	96.9	Very high	8 Å²	8	46.5 Å²	46.5	7%	0.066	25%	0.253	C	S	.	.	S	Bend	trans	-59.8	-37.1	174.4	0	0	0	0	0	112.7	L436 Y437	A274-L436 HydrophobicContact CB-CB 3.62Å; A274-Y437 HydrophobicContact CB-CD1 4.01Å; A274-Y437 HydrophobicContact CB-CD2 3.72Å; A274-Y437 HydrophobicContact CB-CE1 3.93Å; A274-Y437 HydrophobicContact CB-CE2 3.62Å; A274-Y437 HydrophobicContact CB-CG 3.91Å
275	V	98	Very high	96.9	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	128.1	-178.8	177.1	0	0	0	0	111.2	D121 V122 I123 A273 V277 G397 L399 L436 M442	D121-V275 PolarHBondContact O-N 3.29Å; V122-V275 WeakPolarHBondContact CA-O 3.28Å; I123-V275 PolarHBondContact N-O 2.95Å; A273-V275 VanDerWaalsContact C-N 3.26Å; A273-V275 PolarHBondContact O-N 2.88Å; V275-V277 HydrophobicContact CG1-CG2 4.28Å; V275-G397 WeakPolarHBondContact CA-O 3.34Å; V275-L399 HydrophobicContact CG1-CD1 4.22Å; V275-L399 HydrophobicContact CG1-CG 4.01Å; V275-L436 HydrophobicContact CG2-CB 3.98Å; V275-L436 HydrophobicContact CG2-CD1 4.42Å; V275-M442 HydrophobicContact CG1-CE 4.49Å; V275-M442 HydrophobicContact CG2-CE 3.89Å; V275-M442 HydrophobicContact CG2-SD 4.45Å
276	T	98.7	Very high	96.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	124.8	168.5	-62	0	0	0	0	110.5	I123 V125 L248 V258 V278 G397 V398 L399	I123-T276 HydrophobicContact CG2-CG2 4.41Å; I123-T276 CarbonylContact O-C 3.11Å; I123-T276 WeakPolarHBondContact O-CA 3.27Å; V125-T276 HydrophobicContact CG2-CG2 4.09Å; L248-T276 HydrophobicContact CD2-CG2 4.12Å; V258-T276 HydrophobicContact CG1-CG2 3.59Å; T276-V278 HydrophobicContact CG2-CG2 4.46Å; T276-G397 PolarHBondContact N-O 3.15Å; T276-V398 CarbonylContact O-C 3.51Å; T276-V398 VanDerWaalsContact O-CA 3.24Å; T276-V398 WeakPolarHBondContact O-CA 3.08Å; T276-V398 WeakPolarHBondContact O-CG2 3.27Å; T276-L399 PolarHBondContact O-N 2.84Å
277	V	98.8	Very high	96.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	111.9	175.2	-175.3	0	0	0	0	109.5	V122 I123 I124 V125 L130 M134 V275 L399 L401	V122-V277 HydrophobicContact CG1-CG2 3.85Å; I123-V277 PolarHBondContact O-N 3.07Å; I124-V277 WeakPolarHBondContact CA-O 3.24Å; I124-V277 HydrophobicContact CG1-CB 4.18Å; I124-V277 HydrophobicContact CG1-CG2 4.43Å; V125-V277 PolarHBondContact N-O 3.47Å; L130-V277 HydrophobicContact CD2-CG1 4.39Å; M134-V277 HydrophobicContact CE-CG1 4.44Å; M134-V277 HydrophobicContact CE-CG2 3.88Å; M134-V277 HydrophobicContact SD-CG1 3.91Å; M134-V277 HydrophobicContact SD-CG2 4.28Å; V275-V277 HydrophobicContact CG1-CG2 4.28Å; V277-L399 HydrophobicContact CG1-CB 4.44Å; V277-L399 HydrophobicContact CG2-CB 4.34Å; V277-L399 HydrophobicContact CG2-CD1 4.22Å; V277-L401 HydrophobicContact CG1-CD1 3.86Å; V277-L401 HydrophobicContact CG1-CG 4.33Å
278	V	98.7	Very high	96.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	113.2	174.4	-179.3	0	0	0	0	109.8	L248 T276 D280 F286 L290 V398 L399 L400 L401	L248-V278 HydrophobicContact CD1-CG2 4.37Å; L248-V278 HydrophobicContact CD2-CG2 4.14Å; T276-V278 HydrophobicContact CG2-CG2 4.46Å; V278-D280 VanDerWaalsContact CG1-OD1 3.25Å; V278-D280 WeakPolarHBondContact CG1-OD1 3.25Å; V278-F286 HydrophobicContact CG1-CB 4.05Å; V278-F286 HydrophobicContact CG1-CD2 3.94Å; V278-F286 HydrophobicContact CG1-CG 4.42Å; V278-F286 HydrophobicContact CG2-CB 4.46Å; V278-L290 HydrophobicContact CB-CD1 4.46Å; V278-L290 HydrophobicContact CG2-CD1 4.06Å; V278-V398 HydrophobicContact CG2-CG2 4.03Å; V278-L399 PolarHBondContact N-O 3.41Å; V278-L400 HydrophobicContact CB-CD1 3.71Å; V278-L400 HydrophobicContact CG1-CD1 3.51Å; V278-L401 PolarHBondContact O-N 2.92Å
279	A	98.4	Very high	96.5	Very high	12 Å²	12	45.3 Å²	45.3	10%	0.099	23%	0.226	C	C	.	.			trans	-132.8	31.6	-177.1	0	0	0	0	0	112.6	I124 V125 L130 G281	I124-A279 HydrophobicContact CG2-CB 4.5Å; V125-A279 CarbonylContact O-C 3.5Å; V125-A279 VanDerWaalsContact O-CA 3.28Å; V125-A279 WeakPolarHBondContact O-CA 3.35Å; V125-A279 WeakPolarHBondContact O-CB 3.31Å; V125-A279 PolarHBondContact O-N 3Å; L130-A279 HydrophobicContact CB-CB 4.49Å; L130-A279 HydrophobicContact CD2-CB 3.72Å; A279-G281 PolarHBondContact O-N 3.23Å; A279-G281 VanDerWaalsContact O-N 3.11Å
280	D	97.4	Very high	96.3	Very high	45 Å²	45	42.7 Å²	42.7	24%	0.241	22%	0.216	C	C	.	.			trans	-79.3	14.1	-172.9	63.4	-21.9	0	0	0	114.9	V125 V278 S284 K285 F286 A404	V125-D280 HydrophobicContact CG1-CB 4.37Å; V125-D280 PolarHBondContact O-N 2.97Å; V278-D280 VanDerWaalsContact CG1-OD1 3.25Å; V278-D280 WeakPolarHBondContact CG1-OD1 3.25Å; D280-S284 VanDerWaalsContact CG-CA 3.49Å; D280-S284 VanDerWaalsContact CG-OG 3.26Å; D280-S284 WeakPolarHBondContact OD1-CA 3.29Å; D280-S284 WeakPolarHBondContact OD1-CB 3.39Å; D280-S284 PolarHBondContact OD1-OG 2.85Å; D280-S284 WeakPolarHBondContact OD2-CA 3.29Å; D280-S284 PolarHBondContact OD2-OG 2.77Å; D280-K285 PolarHBondContact OD2-N 2.87Å; D280-F286 WeakPolarHBondContact OD2-CD2 3.37Å; D280-A404 WeakPolarHBondContact OD1-CB 3.4Å
281	G	95.7	Very high	96	Very high	20 Å²	20	38 Å²	38	21%	0.206	19%	0.194	C	C	.	.			trans	78.5	-164.6	166.5	0	0	0	0	0	116.2	A279 F283 S284 R287 D403 A404	A279-G281 PolarHBondContact O-N 3.23Å; A279-G281 VanDerWaalsContact O-N 3.11Å; G281-F283 PolarHBondContact O-N 3.41Å; G281-F283 VanDerWaalsContact O-N 3.12Å; G281-S284 WeakPolarHBondContact O-CB 3.38Å; G281-S284 PolarHBondContact O-N 2.86Å; G281-R287 PolarHBondContact O-NH2 3.29Å; G281-R287 VanDerWaalsContact O-NH2 3.15Å; G281-D403 CarbonylContact O-C 3.49Å; G281-A404 VanDerWaalsContact O-CA 3.28Å; G281-A404 WeakPolarHBondContact O-CA 3.14Å; G281-A404 PolarHBondContact O-N 3.01Å
282	C	94.3	Very high	95.2	Very high	30 Å²	30	41.7 Å²	41.7	20%	0.203	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.1	-170.8	59.6	0	0	0	0	114.7	R287 D403 M407	C282-R287 VanDerWaalsContact C-NH2 3.26Å; C282-R287 PolarHBondContact O-NH2 3.36Å; C282-D403 HydrophobicContact CB-CB 4.16Å; C282-M407 HydrophobicContact CB-SD 3.53Å; C282-M407 VanDerWaalsContact CB-SD 3.53Å
283	F	94.6	Very high	94.2	Very high	136 Å²	136	40.2 Å²	40.2	60%	0.596	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	27.9	176.1	-57.9	-60.5	0	0	0	113.2	G281 K285 M383 P384	G281-F283 PolarHBondContact O-N 3.41Å; G281-F283 VanDerWaalsContact O-N 3.12Å; F283-K285 PolarHBondContact O-N 2.91Å; F283-M383 HydrophobicContact CE2-CE 4.02Å; F283-M383 HydrophobicContact CZ-CE 4.32Å; F283-P384 HydrophobicContact CE1-CG 3.92Å; F283-P384 HydrophobicContact CZ-CG 3.73Å
284	S	96.4	Very high	93.7	Very high	13 Å²	13	48.2 Å²	48.2	9%	0.091	26%	0.262	C	S	.	.			trans	-45.6	128.2	-179.2	177.9	0	0	0	0	113.9	D280 G281 R287	D280-S284 VanDerWaalsContact CG-CA 3.49Å; D280-S284 VanDerWaalsContact CG-OG 3.26Å; D280-S284 WeakPolarHBondContact OD1-CA 3.29Å; D280-S284 WeakPolarHBondContact OD1-CB 3.39Å; D280-S284 PolarHBondContact OD1-OG 2.85Å; D280-S284 WeakPolarHBondContact OD2-CA 3.29Å; D280-S284 PolarHBondContact OD2-OG 2.77Å; G281-S284 WeakPolarHBondContact O-CB 3.38Å; G281-S284 PolarHBondContact O-N 2.86Å; S284-R287 PolarHBondContact OG-N 2.85Å
285	K	94.6	Very high	93.4	Very high	153 Å²	153	49.9 Å²	49.9	67%	0.665	28%	0.276	S	S	*	.	S	Bend	trans	-79.3	-35.8	177.2	-69.2	-176.6	-179.9	177.8	0	111.6	D280 F283	D280-K285 PolarHBondContact OD2-N 2.87Å; F283-K285 PolarHBondContact O-N 2.91Å
286	F	95.9	Very high	93.2	Very high	17 Å²	17	56.1 Å²	56.1	8%	0.075	31%	0.305	C	S	.	.	S	Bend	trans	-85.7	-13.5	-173.7	-49.7	-73.6	0	0	0	113.3	V125 V245 L248 V278 D280 K288 S289 L290	V125-F286 HydrophobicContact CG1-CE2 4.04Å; V245-F286 HydrophobicContact CB-CE2 4.33Å; V245-F286 HydrophobicContact CB-CZ 4.03Å; V245-F286 HydrophobicContact CG1-CE1 4.36Å; V245-F286 HydrophobicContact CG1-CE2 4.14Å; V245-F286 HydrophobicContact CG1-CZ 3.59Å; L248-F286 HydrophobicContact CD1-CB 4.22Å; L248-F286 HydrophobicContact CD1-CD1 4.25Å; L248-F286 HydrophobicContact CD1-CG 4.41Å; L248-F286 HydrophobicContact CD2-CD1 4.19Å; L248-F286 HydrophobicContact CD2-CE1 4.44Å; L248-F286 HydrophobicContact CD2-CG 4.42Å; L248-F286 HydrophobicContact CG-CD1 3.77Å; L248-F286 HydrophobicContact CG-CE1 4.26Å; L248-F286 HydrophobicContact CG-CG 4.26Å; V278-F286 HydrophobicContact CG1-CB 4.05Å; V278-F286 HydrophobicContact CG1-CD2 3.94Å; V278-F286 HydrophobicContact CG1-CG 4.42Å; V278-F286 HydrophobicContact CG2-CB 4.46Å; D280-F286 WeakPolarHBondContact OD2-CD2 3.37Å; F286-K288 VanDerWaalsContact C-N 3.25Å; F286-K288 PolarHBondContact O-N 2.97Å; F286-K288 VanDerWaalsContact O-N 3.13Å; F286-S289 PolarHBondContact O-N 2.82Å; F286-S289 VanDerWaalsContact O-N 3.07Å; F286-S289 PolarHBondContact O-OG 2.9Å; F286-L290 PolarHBondContact O-N 3.46Å
287	R	95.1	Very high	93	Very high	13 Å²	13	59.7 Å²	59.7	5%	0.049	33%	0.327	C	S	.	.	H	α-helix	trans	-48	-45.9	179.1	-173.2	-168.6	-39.4	-108.9	1.9	113.3	G281 C282 S284 S289 L290 V291 L400 D403 A404	G281-R287 PolarHBondContact O-NH2 3.29Å; G281-R287 VanDerWaalsContact O-NH2 3.15Å; C282-R287 VanDerWaalsContact C-NH2 3.26Å; C282-R287 PolarHBondContact O-NH2 3.36Å; S284-R287 PolarHBondContact OG-N 2.85Å; R287-S289 VanDerWaalsContact C-N 3.27Å; R287-S289 PolarHBondContact O-N 3.1Å; R287-L290 PolarHBondContact O-N 2.77Å; R287-L290 VanDerWaalsContact O-N 3.13Å; R287-V291 HydrophobicContact CG-CG2 3.63Å; R287-V291 WeakPolarHBondContact O-CG2 3.4Å; R287-V291 PolarHBondContact O-N 2.83Å; R287-L400 HydrophobicContact CG-CD2 4.3Å; R287-D403 PolarHBondContact NH1-O 3.43Å; R287-D403 PolarHBondContact NH2-O 2.96Å; R287-D403 VanDerWaalsContact NH2-O 3.1Å; R287-A404 WeakPolarHBondContact CG-O 3.22Å; R287-A404 PolarHBondContact NE-O 3.48Å; R287-A404 PolarHBondContact NH1-O 3.46Å
288	K	92.8	Very high	92.7	Very high	178 Å²	178	61.2 Å²	61.2	77%	0.774	34%	0.337	S	S	*	.	H	α-helix	trans	-66.1	-25.5	-175.2	-68.3	-179.6	-178.3	172.6	0	113.6	F286	F286-K288 VanDerWaalsContact C-N 3.25Å; F286-K288 PolarHBondContact O-N 2.97Å; F286-K288 VanDerWaalsContact O-N 3.13Å
289	S	92.5	Very high	92.6	Very high	64 Å²	64	61.3 Å²	61.3	45%	0.448	34%	0.338	S	S	.	.	H	α-helix	trans	-85.7	-16.3	176.7	61.2	0	0	0	0	112.8	F286 R287	F286-S289 PolarHBondContact O-N 2.82Å; F286-S289 VanDerWaalsContact O-N 3.07Å; F286-S289 PolarHBondContact O-OG 2.9Å; R287-S289 VanDerWaalsContact C-N 3.27Å; R287-S289 PolarHBondContact O-N 3.1Å
290	L	93.4	Very high	92.5	Very high	16 Å²	16	63.1 Å²	63.1	8%	0.084	34%	0.344	C	S	.	.	H	α-helix	trans	-106.3	-29.7	-175.2	-62.8	179.9	0	0	0	113.7	L248 V278 F286 R287 V393 K395 V398 L400	L248-L290 HydrophobicContact CD1-CD1 4.24Å; L248-L290 HydrophobicContact CD1-CD2 4.25Å; L248-L290 HydrophobicContact CD1-CG 4.44Å; V278-L290 HydrophobicContact CB-CD1 4.46Å; V278-L290 HydrophobicContact CG2-CD1 4.06Å; F286-L290 PolarHBondContact O-N 3.46Å; R287-L290 PolarHBondContact O-N 2.77Å; R287-L290 VanDerWaalsContact O-N 3.13Å; L290-V393 HydrophobicContact CB-CG1 4.44Å; L290-K395 HydrophobicContact CD2-CB 4.36Å; L290-K395 HydrophobicContact CD2-CD 3.99Å; L290-V398 HydrophobicContact CD1-CG2 3.82Å; L290-V398 HydrophobicContact CD2-CG1 3.7Å; L290-V398 HydrophobicContact CD2-CG2 4.19Å; L290-L400 HydrophobicContact CB-CD2 4.19Å; L290-L400 HydrophobicContact CD1-CB 4.09Å; L290-L400 HydrophobicContact CD1-CD1 4.2Å; L290-L400 HydrophobicContact CD1-CD2 4.5Å; L290-L400 HydrophobicContact CD1-CG 4.49Å
291	V	90.8	Very high	92.5	Very high	11 Å²	11	61.1 Å²	61.1	7%	0.067	33%	0.333	C	S	.	.			trans	-139.3	145.9	179.4	-62.4	0	0	0	0	111.7	R287 G293 V393 L400	R287-V291 HydrophobicContact CG-CG2 3.63Å; R287-V291 WeakPolarHBondContact O-CG2 3.4Å; R287-V291 PolarHBondContact O-N 2.83Å; V291-G293 VanDerWaalsContact C-N 3.31Å; V291-G293 PolarHBondContact O-N 3.13Å; V291-V393 HydrophobicContact CG1-CG2 3.88Å; V291-L400 HydrophobicContact CG1-CD2 4.04Å; V291-L400 HydrophobicContact CG2-CD2 4.02Å
292	A	82.1	Confident	92.7	Very high	97 Å²	97	60.1 Å²	60.1	80%	0.802	32%	0.324	S	S	*	.	S	Bend	trans	-77.3	-14.7	-179.4	0	0	0	0	0	114
293	G	77.3	Confident	92.8	Very high	27 Å²	27	58.7 Å²	58.7	28%	0.278	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-71.8	140.4	-176.3	0	0	0	0	0	113.4	V291	V291-G293 VanDerWaalsContact C-N 3.31Å; V291-G293 PolarHBondContact O-N 3.13Å
294	K	85.8	Confident	93	Very high	170 Å²	170	52.3 Å²	52.3	74%	0.739	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-103.9	139.4	170.9	-66.3	-177	-176.8	177.5	0	109.9	Q296	K294-Q296 PolarHBondContact O-N 3.31Å
295	A	91.1	Very high	93	Very high	44 Å²	44	52.3 Å²	52.3	36%	0.364	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-65.2	130.9	169.3	0	0	0	0	0	109.4	F387 M407	A295-F387 WeakPolarHBondContact CA-O 3.16Å; A295-M407 HydrophobicContact CB-CE 3.34Å
296	Q	92.5	Very high	93.2	Very high	132 Å²	132	45.1 Å²	45.1	62%	0.617	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.3	175.1	-65.4	180	-3.6	0	0	108.4	K294 S386 F387	K294-Q296 PolarHBondContact O-N 3.31Å; Q296-S386 CarbonylContact O-C 3.55Å; Q296-S386 VanDerWaalsContact O-CA 3.28Å; Q296-S386 WeakPolarHBondContact O-CA 3.16Å; Q296-F387 PolarHBondContact N-O 3.5Å; Q296-F387 PolarHBondContact O-N 3.39Å
297	T	94.3	Very high	93.3	Very high	76 Å²	76	50.1 Å²	50.1	47%	0.466	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.8	177.2	-58.5	0	0	0	0	109.3	S299 P384	T297-S299 WeakPolarHBondContact CG2-O 3.08Å; T297-P384 HydrophobicContact CG2-CB 3.82Å
298	S	92.5	Very high	93.3	Very high	32 Å²	32	55.8 Å²	55.8	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-37.1	178.3	-56.8	0	0	0	0	111.9	A385	S298-A385 PolarHBondContact N-O 3.11Å
299	S	96.6	Very high	93.5	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	-170.8	-177.1	52.2	0	0	0	0	110.2	T297 D342 I343 A385 H409 Y469	T297-S299 WeakPolarHBondContact CG2-O 3.08Å; S299-D342 WeakPolarHBondContact CB-OD1 3.26Å; S299-D342 PolarHBondContact OG-OD1 2.93Å; S299-I343 VanDerWaalsContact CB-O 3.29Å; S299-I343 WeakPolarHBondContact CB-O 3.4Å; S299-A385 WeakPolarHBondContact O-CB 3.26Å; S299-A385 PolarHBondContact O-N 3.46Å; S299-A385 WeakPolarHBondContact OG-CB 3.37Å; S299-H409 PolarHBondContact OG-NE2 2.7Å; S299-H409 VanDerWaalsContact OG-NE2 3.09Å; S299-Y469 WeakPolarHBondContact CB-OH 3.43Å; S299-Y469 PolarHBondContact OG-OH 2.89Å
300	H	97.5	Very high	93.6	Very high	50 Å²	50	48 Å²	48	23%	0.231	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.3	171.4	-58.1	79	0	0	0	110	I343 M347 M383	H300-I343 PolarHBondContact N-O 2.94Å; H300-I343 PolarHBondContact O-N 2.88Å; H300-M347 HydrophobicContact CB-CE 4.16Å; H300-M347 HydrophobicContact CB-SD 3.54Å; H300-M347 VanDerWaalsContact CB-SD 3.54Å; H300-M383 CarbonylContact C-O 3.14Å; H300-M383 WeakPolarHBondContact CA-O 3.11Å
301	F	97.8	Very high	93.8	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.9	163.7	-87.8	-36.2	0	0	0	110.2	L328 L340 V341 D342 S382 M383 P410	F301-L328 HydrophobicContact CE1-CD1 4.44Å; F301-L328 HydrophobicContact CE2-CD1 4.17Å; F301-L328 HydrophobicContact CZ-CD1 3.67Å; F301-L328 HydrophobicContact CZ-CG 4.5Å; F301-L340 HydrophobicContact CB-CD2 4.38Å; F301-L340 HydrophobicContact CD1-CB 3.99Å; F301-L340 HydrophobicContact CD2-CB 4.49Å; F301-L340 HydrophobicContact CD2-CD1 4.1Å; F301-L340 HydrophobicContact CE1-CB 4.24Å; F301-L340 HydrophobicContact CE2-CD1 4.25Å; F301-L340 HydrophobicContact CG-CB 4.16Å; F301-V341 WeakPolarHBondContact CA-O 3.48Å; F301-D342 HydrophobicContact CD1-CB 3.93Å; F301-D342 HydrophobicContact CE1-CB 3.69Å; F301-S382 CarbonylContact O-C 3.6Å; F301-S382 WeakPolarHBondContact O-CA 3.22Å; F301-M383 PolarHBondContact N-O 3.25Å; F301-M383 PolarHBondContact O-N 2.9Å; F301-P410 HydrophobicContact CD2-CB 4.06Å; F301-P410 HydrophobicContact CD2-CG 3.49Å; F301-P410 VanDerWaalsContact CD2-CG 3.49Å; F301-P410 HydrophobicContact CE2-CB 3.73Å; F301-P410 HydrophobicContact CE2-CG 3.43Å; F301-P410 VanDerWaalsContact CE2-CG 3.43Å
302	V	98.3	Very high	94.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.6	171.3	-174.4	0	0	0	0	108.5	V341 I343 M347 L351 M355 L380 R381	V302-V341 PolarHBondContact N-O 2.92Å; V302-V341 PolarHBondContact O-N 3.14Å; V302-I343 HydrophobicContact CG2-CD1 3.75Å; V302-I343 HydrophobicContact CG2-CG1 4.3Å; V302-M347 HydrophobicContact CG2-CE 3.46Å; V302-M347 VanDerWaalsContact CG2-CE 3.46Å; V302-L351 HydrophobicContact CG1-CD1 4.38Å; V302-L351 HydrophobicContact CG1-CD2 4.42Å; V302-L351 HydrophobicContact CG2-CD2 4.1Å; V302-M355 HydrophobicContact CB-CE 3.44Å; V302-M355 VanDerWaalsContact CB-CE 3.44Å; V302-M355 HydrophobicContact CG1-CE 3.25Å; V302-M355 HydrophobicContact CG2-CE 4.41Å; V302-L380 HydrophobicContact CG1-CB 4.23Å; V302-R381 CarbonylContact C-O 3.59Å; V302-R381 VanDerWaalsContact CA-O 3.29Å; V302-R381 WeakPolarHBondContact CA-O 3.44Å
303	G	97.5	Very high	94.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.9	-173.3	0	0	0	0	0	114.4	V339 R381	G303-V339 WeakPolarHBondContact CA-O 3.44Å; G303-R381 PolarHBondContact N-O 2.73Å; G303-R381 PolarHBondContact O-N 3.19Å; G303-R381 VanDerWaalsContact O-N 3.1Å
304	C	97.4	Very high	95.7	Very high	2 Å²	2	55 Å²	55	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	171.7	167.3	66.2	0	0	0	0	110.5	R338 V339 D378 L380	C304-R338 VanDerWaalsContact C-NH1 3.3Å; C304-R338 PolarHBondContact O-NH1 3.23Å; C304-V339 PolarHBondContact N-O 3.18Å; C304-V339 PolarHBondContact O-N 3.32Å; C304-D378 VanDerWaalsContact CA-OD2 3.23Å; C304-D378 WeakPolarHBondContact CA-OD2 3.46Å; C304-L380 HydrophobicContact CB-CD2 3.69Å
305	I	98.1	Very high	96.3	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.067	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.4	174.5	-64.5	-62.2	0	0	0	109.6	K307 I332 D336 T337 R338 A374 D378	I305-K307 HydrophobicContact CG2-CD 4.08Å; I305-I332 HydrophobicContact CD1-CD1 3.59Å; I305-I332 HydrophobicContact CD1-CG1 4.45Å; I305-D336 HydrophobicContact CG2-CB 3.78Å; I305-T337 WeakPolarHBondContact CA-O 3.49Å; I305-R338 HydrophobicContact CD1-CB 4.29Å; I305-R338 VanDerWaalsContact CD1-NH1 3.26Å; I305-A374 VanDerWaalsContact O-CB 3.27Å; I305-A374 WeakPolarHBondContact O-CB 3.46Å; I305-D378 PolarHBondContact N-OD2 2.83Å
306	M	98.3	Very high	96.6	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.4	164.1	-59.4	-177.6	-56.6	0	0	109.2	I329 T337 V339 L367 P370 F371 A374	M306-I329 HydrophobicContact CE-CG2 3.91Å; M306-T337 HydrophobicContact CE-CG2 3.72Å; M306-T337 PolarHBondContact N-O 3.39Å; M306-T337 PolarHBondContact O-N 2.83Å; M306-V339 HydrophobicContact CE-CG2 3.39Å; M306-V339 HydrophobicContact CG-CG2 3.9Å; M306-V339 HydrophobicContact SD-CG2 3.71Å; M306-L367 HydrophobicContact CE-CD2 3.97Å; M306-P370 HydrophobicContact CB-CB 4.1Å; M306-P370 HydrophobicContact CG-CB 4.29Å; M306-P370 HydrophobicContact SD-CB 3.93Å; M306-F371 HydrophobicContact SD-CB 3.8Å; M306-F371 HydrophobicContact SD-CD2 4.27Å; M306-F371 PolarHBondContact SD-N 3.28Å; M306-A374 HydrophobicContact CG-CB 3.94Å
307	K	97.6	Very high	96.9	Very high	123 Å²	123	43 Å²	43	54%	0.535	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	135.1	176.8	-64.6	-61.8	-167.8	177.4	0	110.2	I305 S309 S335 D336	I305-K307 HydrophobicContact CG2-CD 4.08Å; K307-S309 PolarHBondContact O-N 3.43Å; K307-S335 CarbonylContact C-O 3.57Å; K307-S335 WeakPolarHBondContact CA-O 3.34Å; K307-D336 VanDerWaalsContact CD-OD1 3.26Å; K307-D336 WeakPolarHBondContact CD-OD1 3.41Å; K307-D336 IonicContact NZ-OD1 2.74Å; K307-D336 PolarHBondContact NZ-OD1 3.14Å; K307-D336 IonicContact NZ-OD2 2.65Å; K307-D336 PolarHBondContact NZ-OD2 2.91Å
308	N	96	Very high	97.1	Very high	131 Å²	131	39.7 Å²	39.7	70%	0.701	20%	0.204	S	C	*	.	S	Bend	trans	51.5	38.6	176.3	-53.4	-40	0	0	0	113.2	S335	N308-S335 PolarHBondContact N-O 3.41Å
309	S	95.8	Very high	97.4	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.063	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-77	135.5	-179.8	-174.3	0	0	0	0	110.6	K307 L367	K307-S309 PolarHBondContact O-N 3.43Å; S309-L367 WeakPolarHBondContact OG-CD2 3.39Å
310	P	95.8	Very high	97.5	Very high	70 Å²	70	38.7 Å²	38.7	46%	0.455	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-66.2	157.2	171	30.5	-35.2	0	0	0	111	H366	P310-H366 HydrophobicContact CG-CB 4.13Å; P310-H366 WeakPolarHBondContact CG-O 3.43Å
311	Q	97.3	Very high	97.5	Very high	46 Å²	46	36.4 Å²	36.4	22%	0.215	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-102.2	142.7	167.9	-61.8	-179	-68	0	0	109.1	H186 K313 H316	H186-Q311 PolarHBondContact NE2-NE2 3Å; H186-Q311 VanDerWaalsContact NE2-NE2 3.16Å; Q311-K313 VanDerWaalsContact C-N 3.28Å; Q311-K313 WeakPolarHBondContact CB-O 3.35Å; Q311-K313 PolarHBondContact O-N 3.46Å; Q311-H316 PolarHBondContact NE2-O 2.88Å
312	F	96.9	Very high	97.4	Very high	94 Å²	94	36.3 Å²	36.3	41%	0.412	19%	0.186	S	C	.	.	S	Bend	trans	-58	-44.5	172.2	-177.6	-91.1	0	0	0	111.6	V192 H194 E201 E318 H366	V192-F312 HydrophobicContact CB-CD1 4.43Å; V192-F312 HydrophobicContact CG1-CD1 3.88Å; V192-F312 HydrophobicContact CG1-CE1 4.16Å; V192-F312 HydrophobicContact CG2-CD1 4.04Å; H194-F312 AromaticContact CE1-CD2 3.79Å; H194-F312 AromaticContact CE1-CG 3.84Å; E201-F312 HydrophobicContact CG-CE1 4.09Å; E201-F312 HydrophobicContact CG-CZ 3.83Å; F312-E318 PolarHBondContact N-OE1 3.19Å; F312-H366 PolarHBondContact N-NE2 3.5Å
313	K	97	Very high	97.2	Very high	69 Å²	69	39 Å²	39	30%	0.3	20%	0.2	S	C	.	.	S	Bend	trans	-130.7	131.9	172.4	-171.8	173	-171.7	176.9	0	109.2	V192 E203 Q311 H315 H316	V192-K313 HydrophobicContact CG2-CB 4.1Å; E203-K313 HydrophobicContact CG-CD 4.44Å; E203-K313 IonicContact OE1-NZ 3.11Å; E203-K313 PolarHBondContact OE1-NZ 3.18Å; E203-K313 IonicContact OE2-NZ 2.95Å; E203-K313 PolarHBondContact OE2-NZ 2.79Å; Q311-K313 VanDerWaalsContact C-N 3.28Å; Q311-K313 WeakPolarHBondContact CB-O 3.35Å; Q311-K313 PolarHBondContact O-N 3.46Å; K313-H315 PolarHBondContact O-N 2.84Å; K313-H316 HydrophobicContact CB-CB 4.15Å; K313-H316 PolarHBondContact O-N 2.91Å; K313-H316 VanDerWaalsContact O-N 3.14Å
314	P	96.8	Very high	97	Very high	88 Å²	88	42.6 Å²	42.6	57%	0.571	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	138.4	178.9	-27.7	34.8	0	0	0	112.2	H316	P314-H316 PolarHBondContact O-N 3.04Å; P314-H316 PolarHBondContact O-ND1 2.95Å
315	H	97.3	Very high	97	Very high	80 Å²	80	42.8 Å²	42.8	37%	0.37	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	19.5	179.4	-52.3	-61.8	0	0	0	114.8	H186 V187 V188 N189 K313	H186-H315 AromaticContact CE1-ND1 3.81Å; H186-H315 AromaticContact NE2-ND1 3.78Å; V187-H315 WeakPolarHBondContact O-CB 3.24Å; V187-H315 PolarHBondContact O-ND1 2.91Å; V188-H315 CarbonylContact C-O 3.54Å; V188-H315 WeakPolarHBondContact CA-O 3.49Å; N189-H315 HydrophobicContact CB-CB 4.15Å; N189-H315 PolarHBondContact N-O 3.17Å; K313-H315 PolarHBondContact O-N 2.84Å
316	H	98	Very high	96.9	Very high	13 Å²	13	42.1 Å²	42.1	6%	0.06	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.4	174.1	-70.2	60.7	0	0	0	110.2	G190 V192 E203 Q311 K313 P314	G190-H316 WeakPolarHBondContact O-CA 3.46Å; V192-H316 HydrophobicContact CG2-CB 4.03Å; E203-H316 IonicContact OE1-NE2 3.86Å; Q311-H316 PolarHBondContact NE2-O 2.88Å; K313-H316 HydrophobicContact CB-CB 4.15Å; K313-H316 PolarHBondContact O-N 2.91Å; K313-H316 VanDerWaalsContact O-N 3.14Å; P314-H316 PolarHBondContact O-N 3.04Å; P314-H316 PolarHBondContact O-ND1 2.95Å
317	A	98.3	Very high	96.9	Very high	2 Å²	2	42.1 Å²	42.1	2%	0.017	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	156.6	166.2	0	0	0	0	0	109.4	V188 G190 Y191 V192	V188-A317 HydrophobicContact CG1-CB 4.16Å; G190-A317 PolarHBondContact O-N 3.11Å; Y191-A317 CarbonylContact C-O 3.38Å; Y191-A317 WeakPolarHBondContact CA-O 3.41Å; Y191-A317 HydrophobicContact CD1-CB 3.45Å; Y191-A317 VanDerWaalsContact CD1-CB 3.45Å; Y191-A317 HydrophobicContact CE1-CB 3.51Å; Y191-A317 HydrophobicContact CG-CB 4.38Å; V192-A317 PolarHBondContact N-O 2.75Å
318	E	98.6	Very high	97	Very high	6 Å²	6	37 Å²	37	3%	0.028	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.6	-177.7	-58.8	179	-141.3	0	0	110	V192 H194 F312 I329 H366	V192-E318 CarbonylContact O-C 3.56Å; V192-E318 WeakPolarHBondContact O-CA 3.43Å; H194-E318 IonicContact CD2-OE2 3.09Å; H194-E318 IonicContact CE1-OE2 3.74Å; H194-E318 IonicContact NE2-OE2 2.77Å; H194-E318 PolarHBondContact NE2-OE2 2.87Å; F312-E318 PolarHBondContact N-OE1 3.19Å; E318-I329 HydrophobicContact CB-CB 4.21Å; E318-I329 HydrophobicContact CB-CD1 4.49Å; E318-I329 PolarHBondContact N-O 2.97Å; E318-I329 PolarHBondContact O-N 3.22Å; E318-H366 VanDerWaalsContact CD-NE2 3.32Å; E318-H366 IonicContact OE1-CD2 3.44Å; E318-H366 IonicContact OE1-CE1 2.87Å; E318-H366 IonicContact OE1-NE2 3.61Å; E318-H366 PolarHBondContact OE1-NE2 2.63Å; E318-H366 IonicContact OE2-CE1 3.8Å; E318-H366 PolarHBondContact OE2-CE1 2.84Å; E318-H366 IonicContact OE2-NE2 3.8Å; E318-H366 PolarHBondContact OE2-NE2 2.64Å
319	L	98.4	Very high	97.1	Very high	14 Å²	14	31 Å²	31	7%	0.073	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	114.5	171.1	169.5	66.5	0	0	0	107.7	V192 I193 H194 L321 P326 L328 L411 F472	V192-L319 PolarHBondContact O-N 2.82Å; I193-L319 CarbonylContact C-O 3.54Å; I193-L319 WeakPolarHBondContact CA-O 3.15Å; I193-L319 HydrophobicContact CD1-CD2 4.36Å; I193-L319 HydrophobicContact CG1-CB 4.37Å; I193-L319 HydrophobicContact CG1-CD2 4.24Å; I193-L319 HydrophobicContact CG2-CD2 4.27Å; I193-L319 HydrophobicContact CG2-CG 4.45Å; H194-L319 PolarHBondContact N-O 3.05Å; L319-L321 HydrophobicContact CD2-CD2 4.05Å; L319-L321 HydrophobicContact CG-CD2 4.17Å; L319-P326 HydrophobicContact CD1-CB 3.82Å; L319-L328 HydrophobicContact CB-CD2 4.35Å; L319-L328 HydrophobicContact CD1-CD2 3.67Å; L319-L328 HydrophobicContact CD1-CG 4.43Å; L319-L411 HydrophobicContact CD1-CD1 4.22Å; L319-F472 HydrophobicContact CD2-CD2 4.03Å; L319-F472 HydrophobicContact CD2-CE2 3.53Å; L319-F472 HydrophobicContact CD2-CZ 4.38Å
320	V	98.4	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	116.7	173.2	-173.3	0	0	0	0	108.1	H194 I196 A322 P326 V327 I329 L363 P364	H194-V320 HydrophobicContact CB-CG2 4.42Å; I196-V320 HydrophobicContact CG2-CG1 3.79Å; V320-A322 HydrophobicContact CG1-CB 4.25Å; V320-A322 PolarHBondContact O-N 2.79Å; V320-P326 WeakPolarHBondContact O-CA 3.36Å; V320-V327 HydrophobicContact CB-CB 4.24Å; V320-V327 PolarHBondContact N-O 3.18Å; V320-V327 PolarHBondContact O-N 2.83Å; V320-I329 HydrophobicContact CG2-CD1 3.72Å; V320-L363 HydrophobicContact CG2-CD2 4.46Å; V320-P364 HydrophobicContact CG2-CG 4.08Å
321	L	97.6	Very high	97.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	76.4	168.4	-59.1	-175.9	0	0	0	107.8	I193 H194 I196 L319 F472 R483 F487	I193-L321 HydrophobicContact CG2-CD1 3.83Å; I193-L321 HydrophobicContact CG2-CD2 4.31Å; I193-L321 HydrophobicContact CG2-CG 3.76Å; H194-L321 WeakPolarHBondContact O-CB 3.2Å; H194-L321 PolarHBondContact O-N 2.92Å; I196-L321 WeakPolarHBondContact CG1-O 3.44Å; L319-L321 HydrophobicContact CD2-CD2 4.05Å; L319-L321 HydrophobicContact CG-CD2 4.17Å; L321-F472 HydrophobicContact CD2-CB 4.34Å; L321-F472 HydrophobicContact CD2-CD1 3.89Å; L321-F472 HydrophobicContact CD2-CD2 3.76Å; L321-F472 HydrophobicContact CD2-CE1 4.03Å; L321-F472 HydrophobicContact CD2-CE2 3.93Å; L321-F472 HydrophobicContact CD2-CG 3.74Å; L321-F472 HydrophobicContact CD2-CZ 4.04Å; L321-R483 PolarHBondContact O-NH2 2.81Å; L321-F487 HydrophobicContact CD1-CB 4.25Å; L321-F487 HydrophobicContact CD1-CD2 4.11Å; L321-F487 HydrophobicContact CD1-CG 4.47Å
322	A	96.8	Very high	97.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	14%	0.142	C	C	.	.			trans	-82.6	173.7	174.5	0	0	0	0	0	111.6	V320 S325 V327 Q362 R483	V320-A322 HydrophobicContact CG1-CB 4.25Å; V320-A322 PolarHBondContact O-N 2.79Å; A322-S325 CarbonylContact C-O 3.53Å; A322-S325 WeakPolarHBondContact CB-O 3.32Å; A322-V327 HydrophobicContact CB-CG2 4.19Å; A322-Q362 HydrophobicContact CB-CB 4.25Å; A322-R483 PolarHBondContact O-NH1 3.35Å; A322-R483 PolarHBondContact O-NH2 2.98Å
323	N	93.9	Very high	97.4	Very high	55 Å²	55	22.8 Å²	22.8	29%	0.294	12%	0.123	S	C	.	.	S	Bend	trans	-116.2	134.8	177.8	-75.2	-39.9	0	0	0	110.7	E197 Q362 R483	E197-N323 PolarHBondContact OE1-ND2 3.02Å; N323-Q362 PolarHBondContact O-NE2 2.91Å; N323-Q362 PolarHBondContact O-OE1 3.47Å; N323-R483 PolarHBondContact OD1-NH1 3.23Å; N323-R483 PolarHBondContact OD1-NH2 3.22Å
324	P	93.6	Very high	97.4	Very high	77 Å²	77	23.5 Å²	23.5	50%	0.5	14%	0.137	S	C	.	.	S	Bend	cis	-81.9	-9.7	-2.1	34.4	-36.1	0	0	0	114.3	A473	P324-A473 WeakPolarHBondContact O-CA 3.39Å
325	S	95.9	Very high	97.4	Very high	5 Å²	5	21.2 Å²	21.2	4%	0.035	12%	0.123	C	C	.	.	S	Bend	trans	-128.6	154.8	-168.5	-83.6	0	0	0	0	112.1	A322 D342	A322-S325 CarbonylContact C-O 3.53Å; A322-S325 WeakPolarHBondContact CB-O 3.32Å; S325-D342 WeakPolarHBondContact CB-O 3.43Å; S325-D342 WeakPolarHBondContact CB-OD2 3.46Å; S325-D342 PolarHBondContact OG-OD2 3.15Å
326	P	97.4	Very high	97.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.			trans	-73.9	159	-178.6	30.2	-35.4	0	0	0	113.9	L319 V320 D342 L411 F472	L319-P326 HydrophobicContact CD1-CB 3.82Å; V320-P326 WeakPolarHBondContact O-CA 3.36Å; P326-D342 HydrophobicContact CG-CB 4.34Å; P326-D342 WeakPolarHBondContact O-CB 3.39Å; P326-D342 PolarHBondContact O-N 2.78Å; P326-D342 VanDerWaalsContact O-N 3.15Å; P326-L411 HydrophobicContact CB-CD1 4.33Å; P326-L411 HydrophobicContact CG-CD1 3.93Å; P326-F472 HydrophobicContact CB-CB 4.43Å; P326-F472 HydrophobicContact CG-CB 4.2Å
327	V	98.6	Very high	97.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.7	171.4	-175.6	0	0	0	0	109.8	V320 A322 I329 V339 L340 V341 I359 L363	V320-V327 HydrophobicContact CB-CB 4.24Å; V320-V327 PolarHBondContact N-O 3.18Å; V320-V327 PolarHBondContact O-N 2.83Å; A322-V327 HydrophobicContact CB-CG2 4.19Å; V327-I329 HydrophobicContact CG1-CD1 3.92Å; V327-I329 HydrophobicContact CG1-CG1 4.34Å; V327-V339 HydrophobicContact CG1-CG1 3.68Å; V327-L340 CarbonylContact C-O 3.4Å; V327-L340 WeakPolarHBondContact CA-O 3.02Å; V327-V341 HydrophobicContact CG1-CG2 3.92Å; V327-V341 HydrophobicContact CG2-CB 4.47Å; V327-V341 HydrophobicContact CG2-CG1 4.3Å; V327-V341 HydrophobicContact CG2-CG2 4.08Å; V327-I359 HydrophobicContact CG2-CG2 4.02Å; V327-L363 HydrophobicContact CG1-CD2 4.32Å
328	L	98.4	Very high	97.5	Very high	15 Å²	15	17.6 Å²	17.6	8%	0.079	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.7	173.9	-66.7	170.9	0	0	0	110.2	F301 L319 Y330 V339 L340 L411	F301-L328 HydrophobicContact CE1-CD1 4.44Å; F301-L328 HydrophobicContact CE2-CD1 4.17Å; F301-L328 HydrophobicContact CZ-CD1 3.67Å; F301-L328 HydrophobicContact CZ-CG 4.5Å; L319-L328 HydrophobicContact CB-CD2 4.35Å; L319-L328 HydrophobicContact CD1-CD2 3.67Å; L319-L328 HydrophobicContact CD1-CG 4.43Å; L328-Y330 HydrophobicContact CB-CD1 4.49Å; L328-Y330 HydrophobicContact CB-CE1 4.3Å; L328-V339 CarbonylContact O-C 3.54Å; L328-V339 WeakPolarHBondContact O-CA 3.43Å; L328-L340 HydrophobicContact CB-CB 4.26Å; L328-L340 PolarHBondContact N-O 3.4Å; L328-L340 PolarHBondContact O-N 3.47Å; L328-L411 HydrophobicContact CD1-CD1 4.28Å; L328-L411 HydrophobicContact CD2-CD1 4.18Å; L328-L411 HydrophobicContact CG-CD1 4.26Å
329	I	98.7	Very high	97.5	Very high	6 Å²	6	17.4 Å²	17.4	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	130.9	173.4	-58	105.7	0	0	0	109.2	M306 E318 V320 V327 T337 R338 V339 L367	M306-I329 HydrophobicContact CE-CG2 3.91Å; E318-I329 HydrophobicContact CB-CB 4.21Å; E318-I329 HydrophobicContact CB-CD1 4.49Å; E318-I329 PolarHBondContact N-O 2.97Å; E318-I329 PolarHBondContact O-N 3.22Å; V320-I329 HydrophobicContact CG2-CD1 3.72Å; V327-I329 HydrophobicContact CG1-CD1 3.92Å; V327-I329 HydrophobicContact CG1-CG1 4.34Å; I329-T337 HydrophobicContact CG2-CG2 3.44Å; I329-T337 VanDerWaalsContact CG2-CG2 3.44Å; I329-R338 CarbonylContact C-O 3.37Å; I329-R338 VanDerWaalsContact CA-O 3.27Å; I329-R338 WeakPolarHBondContact CA-O 3.49Å; I329-V339 HydrophobicContact CG1-CB 4.5Å; I329-V339 HydrophobicContact CG1-CG1 4.2Å; I329-V339 HydrophobicContact CG1-CG2 4.04Å; I329-V339 HydrophobicContact CG2-CG2 4.46Å; I329-L367 HydrophobicContact CB-CD1 4.45Å; I329-L367 HydrophobicContact CD1-CD1 3.74Å; I329-L367 HydrophobicContact CG1-CD1 4.02Å; I329-L367 HydrophobicContact CG2-CD1 4.3Å
330	Y	98.4	Very high	97.5	Very high	16 Å²	16	17 Å²	17	6%	0.063	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	142.3	173.9	47.9	-92.1	0	0	0	111.4	E161 L162 A218 L328 I332 R338 L340	E161-Y330 HydrophobicContact CB-CE2 3.85Å; L162-Y330 HydrophobicContact CB-CD2 4.43Å; L162-Y330 HydrophobicContact CB-CE2 4.28Å; A218-Y330 HydrophobicContact CB-CD2 4.38Å; L328-Y330 HydrophobicContact CB-CD1 4.49Å; L328-Y330 HydrophobicContact CB-CE1 4.3Å; Y330-I332 HydrophobicContact CD2-CG2 3.58Å; Y330-I332 HydrophobicContact CE2-CG2 3.65Å; Y330-R338 HydrophobicContact CD2-CB 4.04Å; Y330-R338 HydrophobicContact CD2-CG 4.49Å; Y330-R338 HydrophobicContact CE1-CG 4.28Å; Y330-R338 HydrophobicContact CE2-CB 3.74Å; Y330-R338 HydrophobicContact CE2-CG 3.79Å; Y330-R338 PolarHBondContact N-O 2.68Å; Y330-R338 PolarHBondContact O-N 3.36Å; Y330-L340 HydrophobicContact CE1-CD1 4.15Å; Y330-L340 VanDerWaalsContact OH-CD1 3.25Å; Y330-L340 WeakPolarHBondContact OH-CD1 3.47Å
331	Q	98.4	Very high	97.5	Very high	27 Å²	27	17 Å²	17	13%	0.126	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130.4	177.9	-172.3	169	-3.4	0	0	110.2	H186 A218 S333 S334	H186-Q331 HydrophobicContact CB-CB 4.47Å; H186-Q331 HydrophobicContact CB-CG 4.4Å; H186-Q331 WeakPolarHBondContact CB-O 3.42Å; H186-Q331 PolarHBondContact CE1-OE1 3.42Å; A218-Q331 WeakPolarHBondContact CB-O 3.06Å; Q331-S333 WeakPolarHBondContact CG-O 3.36Å; Q331-S333 PolarHBondContact NE2-O 2.84Å; Q331-S334 PolarHBondContact NE2-O 3.17Å
332	I	98.1	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.104	C	C	.	.			trans	-115.4	-10.5	-177	62.5	169.7	0	0	0	113	E161 A218 F219 I305 Y330 D336 R338	E161-I332 HydrophobicContact CB-CG2 4.03Å; A218-I332 HydrophobicContact CB-CG2 4.45Å; F219-I332 VanDerWaalsContact CA-O 3.28Å; F219-I332 WeakPolarHBondContact CA-O 3.49Å; I305-I332 HydrophobicContact CD1-CD1 3.59Å; I305-I332 HydrophobicContact CD1-CG1 4.45Å; Y330-I332 HydrophobicContact CD2-CG2 3.58Å; Y330-I332 HydrophobicContact CE2-CG2 3.65Å; I332-D336 HydrophobicContact CD1-CB 4.32Å; I332-D336 HydrophobicContact CG1-CB 3.84Å; I332-D336 WeakPolarHBondContact CG1-O 3.14Å; I332-D336 PolarHBondContact N-O 2.8Å; I332-R338 HydrophobicContact CD1-CB 4.49Å; I332-R338 HydrophobicContact CG2-CB 3.93Å
333	S	97.8	Very high	97.6	Very high	3 Å²	3	17.3 Å²	17.3	2%	0.021	11%	0.105	C	C	.	.	S	Bend	trans	-151.7	177.7	171.2	84	0	0	0	0	111.1	D184 Q331 S335 D336	D184-S333 VanDerWaalsContact O-CA 3.31Å; D184-S333 WeakPolarHBondContact O-CA 3.3Å; D184-S333 WeakPolarHBondContact OD2-CB 3.37Å; Q331-S333 WeakPolarHBondContact CG-O 3.36Å; Q331-S333 PolarHBondContact NE2-O 2.84Å; S333-S335 PolarHBondContact O-N 3.29Å; S333-S335 VanDerWaalsContact O-N 3.16Å; S333-S335 PolarHBondContact OG-N 2.83Å; S333-S335 PolarHBondContact OG-OG 3.32Å; S333-D336 PolarHBondContact N-O 2.86Å; S333-D336 VanDerWaalsContact OG-CB 3.24Å; S333-D336 WeakPolarHBondContact OG-CB 3.39Å; S333-D336 PolarHBondContact OG-N 2.92Å
334	S	96.6	Very high	97.6	Very high	84 Å²	84	19 Å²	19	59%	0.587	11%	0.107	S	C	*	.	S	Bend	trans	-55.1	-28.2	173	55.5	0	0	0	0	113.7	D184 Q331	D184-S334 WeakPolarHBondContact OD1-CB 3.44Å; D184-S334 PolarHBondContact OD1-N 3.2Å; D184-S334 WeakPolarHBondContact OD2-CB 3.48Å; D184-S334 PolarHBondContact OD2-N 2.99Å; D184-S334 PolarHBondContact OD2-OG 3.14Å; Q331-S334 PolarHBondContact NE2-O 3.17Å
335	S	97	Very high	97.5	Very high	40 Å²	40	17.8 Å²	17.8	28%	0.28	11%	0.109	S	C	.	.	S	Bend	trans	-115.9	-18.7	-178.5	62.6	0	0	0	0	115.1	K307 N308 S333	K307-S335 CarbonylContact C-O 3.57Å; K307-S335 WeakPolarHBondContact CA-O 3.34Å; N308-S335 PolarHBondContact N-O 3.41Å; S333-S335 PolarHBondContact O-N 3.29Å; S333-S335 VanDerWaalsContact O-N 3.16Å; S333-S335 PolarHBondContact OG-N 2.83Å; S333-S335 PolarHBondContact OG-OG 3.32Å
336	D	98.1	Very high	97.3	Very high	12 Å²	12	25.9 Å²	25.9	6%	0.064	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.1	-166.3	-67.4	17	0	0	0	111.6	H220 I305 K307 I332 S333	H220-D336 IonicContact CE1-OD2 3.86Å; H220-D336 PolarHBondContact CE1-OD2 3.2Å; H220-D336 IonicContact NE2-OD2 3.59Å; I305-D336 HydrophobicContact CG2-CB 3.78Å; K307-D336 VanDerWaalsContact CD-OD1 3.26Å; K307-D336 WeakPolarHBondContact CD-OD1 3.41Å; K307-D336 IonicContact NZ-OD1 2.74Å; K307-D336 PolarHBondContact NZ-OD1 3.14Å; K307-D336 IonicContact NZ-OD2 2.65Å; K307-D336 PolarHBondContact NZ-OD2 2.91Å; I332-D336 HydrophobicContact CD1-CB 4.32Å; I332-D336 HydrophobicContact CG1-CB 3.84Å; I332-D336 WeakPolarHBondContact CG1-O 3.14Å; I332-D336 PolarHBondContact N-O 2.8Å; S333-D336 PolarHBondContact N-O 2.86Å; S333-D336 VanDerWaalsContact OG-CB 3.24Å; S333-D336 WeakPolarHBondContact OG-CB 3.39Å; S333-D336 PolarHBondContact OG-N 2.92Å
337	T	98.6	Very high	97.2	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116	175.7	-60.7	0	0	0	0	110	I305 M306 I329	I305-T337 WeakPolarHBondContact CA-O 3.49Å; M306-T337 HydrophobicContact CE-CG2 3.72Å; M306-T337 PolarHBondContact N-O 3.39Å; M306-T337 PolarHBondContact O-N 2.83Å; I329-T337 HydrophobicContact CG2-CG2 3.44Å; I329-T337 VanDerWaalsContact CG2-CG2 3.44Å
338	R	98.6	Very high	97	Very high	3 Å²	3	30.1 Å²	30.1	1%	0.011	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	134.2	176.2	172.8	60.3	68.5	-154	-0	109.9	E161 C304 I305 I329 Y330 I332 L340	E161-R338 IonicContact OE1-CZ 2.69Å; E161-R338 IonicContact OE1-NE 3.37Å; E161-R338 IonicContact OE1-NH2 3.75Å; E161-R338 PolarHBondContact OE1-NH2 2.99Å; E161-R338 WeakPolarHBondContact OE2-CG 3.49Å; E161-R338 IonicContact OE2-CZ 3.93Å; E161-R338 IonicContact OE2-NE 3.65Å; E161-R338 PolarHBondContact OE2-NE 2.87Å; E161-R338 IonicContact OE2-NH2 3.97Å; E161-R338 PolarHBondContact OE2-NH2 3.45Å; C304-R338 VanDerWaalsContact C-NH1 3.3Å; C304-R338 PolarHBondContact O-NH1 3.23Å; I305-R338 HydrophobicContact CD1-CB 4.29Å; I305-R338 VanDerWaalsContact CD1-NH1 3.26Å; I329-R338 CarbonylContact C-O 3.37Å; I329-R338 VanDerWaalsContact CA-O 3.27Å; I329-R338 WeakPolarHBondContact CA-O 3.49Å; Y330-R338 HydrophobicContact CD2-CB 4.04Å; Y330-R338 HydrophobicContact CD2-CG 4.49Å; Y330-R338 HydrophobicContact CE1-CG 4.28Å; Y330-R338 HydrophobicContact CE2-CB 3.74Å; Y330-R338 HydrophobicContact CE2-CG 3.79Å; Y330-R338 PolarHBondContact N-O 2.68Å; Y330-R338 PolarHBondContact O-N 3.36Å; I332-R338 HydrophobicContact CD1-CB 4.49Å; I332-R338 HydrophobicContact CG2-CB 3.93Å; R338-L340 HydrophobicContact CG-CD2 4.29Å; R338-L340 HydrophobicContact CG-CG 3.93Å
339	V	98.6	Very high	96.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.4	162.9	-176.6	0	0	0	0	108.4	G303 C304 M306 V327 L328 I329 V341 F371	G303-V339 WeakPolarHBondContact CA-O 3.44Å; C304-V339 PolarHBondContact N-O 3.18Å; C304-V339 PolarHBondContact O-N 3.32Å; M306-V339 HydrophobicContact CE-CG2 3.39Å; M306-V339 HydrophobicContact CG-CG2 3.9Å; M306-V339 HydrophobicContact SD-CG2 3.71Å; V327-V339 HydrophobicContact CG1-CG1 3.68Å; L328-V339 CarbonylContact O-C 3.54Å; L328-V339 WeakPolarHBondContact O-CA 3.43Å; I329-V339 HydrophobicContact CG1-CB 4.5Å; I329-V339 HydrophobicContact CG1-CG1 4.2Å; I329-V339 HydrophobicContact CG1-CG2 4.04Å; I329-V339 HydrophobicContact CG2-CG2 4.46Å; V339-V341 HydrophobicContact CG1-CG2 4.15Å; V339-F371 HydrophobicContact CG1-CD2 4.34Å; V339-F371 HydrophobicContact CG1-CE2 3.96Å; V339-F371 HydrophobicContact CG2-CD2 4.33Å
340	L	98.6	Very high	96.7	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	112.3	171.1	-64.3	175.8	0	0	0	109.3	I158 F301 V327 L328 Y330 R338	I158-L340 HydrophobicContact CD1-CD2 4.36Å; F301-L340 HydrophobicContact CB-CD2 4.38Å; F301-L340 HydrophobicContact CD1-CB 3.99Å; F301-L340 HydrophobicContact CD2-CB 4.49Å; F301-L340 HydrophobicContact CD2-CD1 4.1Å; F301-L340 HydrophobicContact CE1-CB 4.24Å; F301-L340 HydrophobicContact CE2-CD1 4.25Å; F301-L340 HydrophobicContact CG-CB 4.16Å; V327-L340 CarbonylContact C-O 3.4Å; V327-L340 WeakPolarHBondContact CA-O 3.02Å; L328-L340 HydrophobicContact CB-CB 4.26Å; L328-L340 PolarHBondContact N-O 3.4Å; L328-L340 PolarHBondContact O-N 3.47Å; Y330-L340 HydrophobicContact CE1-CD1 4.15Å; Y330-L340 VanDerWaalsContact OH-CD1 3.25Å; Y330-L340 WeakPolarHBondContact OH-CD1 3.47Å; R338-L340 HydrophobicContact CG-CD2 4.29Å; R338-L340 HydrophobicContact CG-CG 3.93Å
341	V	98.4	Very high	96.5	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.2	175.3	178.7	0	0	0	0	108.7	F301 V302 V327 V339 I343 M355 I359	F301-V341 WeakPolarHBondContact CA-O 3.48Å; V302-V341 PolarHBondContact N-O 2.92Å; V302-V341 PolarHBondContact O-N 3.14Å; V327-V341 HydrophobicContact CG1-CG2 3.92Å; V327-V341 HydrophobicContact CG2-CB 4.47Å; V327-V341 HydrophobicContact CG2-CG1 4.3Å; V327-V341 HydrophobicContact CG2-CG2 4.08Å; V339-V341 HydrophobicContact CG1-CG2 4.15Å; V341-I343 HydrophobicContact CG1-CG1 4.29Å; V341-M355 HydrophobicContact CB-CE 3.8Å; V341-M355 HydrophobicContact CB-SD 4Å; V341-M355 HydrophobicContact CG1-CE 4.31Å; V341-M355 HydrophobicContact CG1-SD 4.19Å; V341-M355 HydrophobicContact CG2-CE 3.86Å; V341-M355 HydrophobicContact CG2-SD 3.58Å; V341-M355 VanDerWaalsContact CG2-SD 3.58Å; V341-I359 HydrophobicContact CG1-CD1 3.62Å; V341-I359 HydrophobicContact CG1-CG1 3.77Å; V341-I359 HydrophobicContact CG1-CG2 4.47Å; V341-I359 HydrophobicContact CG2-CG1 4.48Å; V341-I359 HydrophobicContact CG2-CG2 3.94Å
342	D	98.2	Very high	96.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	133	171.3	178.7	80.5	0	0	0	111	S299 F301 S325 P326 H409 Y469	S299-D342 WeakPolarHBondContact CB-OD1 3.26Å; S299-D342 PolarHBondContact OG-OD1 2.93Å; F301-D342 HydrophobicContact CD1-CB 3.93Å; F301-D342 HydrophobicContact CE1-CB 3.69Å; S325-D342 WeakPolarHBondContact CB-O 3.43Å; S325-D342 WeakPolarHBondContact CB-OD2 3.46Å; S325-D342 PolarHBondContact OG-OD2 3.15Å; P326-D342 HydrophobicContact CG-CB 4.34Å; P326-D342 WeakPolarHBondContact O-CB 3.39Å; P326-D342 PolarHBondContact O-N 2.78Å; P326-D342 VanDerWaalsContact O-N 3.15Å; D342-H409 IonicContact OD1-CE1 3.59Å; D342-H409 IonicContact OD1-NE2 2.91Å; D342-Y469 WeakPolarHBondContact OD2-CE2 3.16Å
343	I	97.4	Very high	96.4	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	108.1	173.6	-56.4	-176	0	0	0	108.4	S299 H300 V302 V341 M347 P348 L351 Y354	S299-I343 VanDerWaalsContact CB-O 3.29Å; S299-I343 WeakPolarHBondContact CB-O 3.4Å; H300-I343 PolarHBondContact N-O 2.94Å; H300-I343 PolarHBondContact O-N 2.88Å; V302-I343 HydrophobicContact CG2-CD1 3.75Å; V302-I343 HydrophobicContact CG2-CG1 4.3Å; V341-I343 HydrophobicContact CG1-CG1 4.29Å; I343-M347 HydrophobicContact CB-SD 3.94Å; I343-M347 HydrophobicContact CD1-CE 4.15Å; I343-M347 HydrophobicContact CD1-SD 4.43Å; I343-M347 HydrophobicContact CG2-SD 3.88Å; I343-P348 HydrophobicContact CD1-CG 4.05Å; I343-L351 HydrophobicContact CD1-CD2 4.15Å; I343-Y354 HydrophobicContact CD1-CD1 3.86Å; I343-Y354 HydrophobicContact CD1-CE1 3.65Å; I343-Y354 HydrophobicContact CG1-CE1 3.93Å
344	R	94.3	Very high	96.4	Very high	91 Å²	91	54.3 Å²	54.3	34%	0.343	28%	0.278	S	S	.	.			trans	-82.3	139.3	174.6	-171.1	175.5	-176.2	140.7	7.4	110.9	E470 A473	R344-E470 IonicContact CZ-OE2 3.22Å; R344-E470 IonicContact NH1-OE2 3.87Å; R344-E470 PolarHBondContact NH1-OE2 3.14Å; R344-E470 IonicContact NH2-OE1 3.92Å; R344-E470 IonicContact NH2-OE2 3.98Å; R344-E470 PolarHBondContact NH2-OE2 3.14Å; R344-A473 PolarHBondContact NH1-O 3.32Å
345	G	91.3	Very high	96.4	Very high	52 Å²	52	50.4 Å²	50.4	54%	0.536	25%	0.251	S	S	.	.	S	Bend	trans	84.5	-141.8	175.6	0	0	0	0	0	113.6
346	E	91.6	Very high	96.5	Very high	175 Å²	175	50 Å²	50	82%	0.818	25%	0.249	S	C	*	.	S	Bend	trans	-72.9	132.2	-178.9	-168.8	179	174.1	0	0	110.8
347	M	95.1	Very high	96.5	Very high	52 Å²	52	54.8 Å²	54.8	26%	0.256	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-71.1	136.3	179.3	-69	-65.6	-69.5	0	0	110.9	H300 V302 I343 L351	H300-M347 HydrophobicContact CB-CE 4.16Å; H300-M347 HydrophobicContact CB-SD 3.54Å; H300-M347 VanDerWaalsContact CB-SD 3.54Å; V302-M347 HydrophobicContact CG2-CE 3.46Å; V302-M347 VanDerWaalsContact CG2-CE 3.46Å; I343-M347 HydrophobicContact CB-SD 3.94Å; I343-M347 HydrophobicContact CD1-CE 4.15Å; I343-M347 HydrophobicContact CD1-SD 4.43Å; I343-M347 HydrophobicContact CG2-SD 3.88Å; M347-L351 HydrophobicContact CE-CD2 3.68Å
348	P	95.1	Very high	96.4	Very high	36 Å²	36	59.9 Å²	59.9	23%	0.234	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-65	141.8	175.3	28.4	-34.4	0	0	0	110.1	I343 N350 L351 Y354	I343-P348 HydrophobicContact CD1-CG 4.05Å; P348-N350 VanDerWaalsContact C-N 3.32Å; P348-N350 PolarHBondContact O-N 2.78Å; P348-L351 HydrophobicContact CG-CD2 3.73Å; P348-Y354 HydrophobicContact CB-CD2 4.11Å; P348-Y354 HydrophobicContact CB-CG 4.17Å; P348-Y354 HydrophobicContact CG-CD1 4.17Å; P348-Y354 HydrophobicContact CG-CD2 3.98Å; P348-Y354 HydrophobicContact CG-CG 3.71Å
349	R	93.9	Very high	96.4	Very high	249 Å²	249	59.9 Å²	59.9	94%	0.94	29%	0.294	S	S	*	.	S	Bend	trans	-63.4	-39.4	-179.9	-65.4	-178.1	-177.3	176.5	0.9	112.2
350	N	95.9	Very high	96.3	Very high	79 Å²	79	62 Å²	62	42%	0.422	30%	0.303	S	S	.	.			trans	-110.4	97.4	176.6	-171	-12.3	0	0	0	109.7	P348 T352 E353 Y354	P348-N350 VanDerWaalsContact C-N 3.32Å; P348-N350 PolarHBondContact O-N 2.78Å; N350-T352 PolarHBondContact OD1-N 2.81Å; N350-E353 HydrophobicContact CB-CB 3.97Å; N350-E353 WeakPolarHBondContact CB-OE2 3.26Å; N350-E353 VanDerWaalsContact CG-CB 3.44Å; N350-E353 WeakPolarHBondContact ND2-CB 3.32Å; N350-E353 PolarHBondContact ND2-OE2 2.75Å; N350-E353 PolarHBondContact OD1-N 3.45Å; N350-Y354 PolarHBondContact O-N 2.76Å; N350-Y354 VanDerWaalsContact O-N 3.13Å
351	L	96.1	Very high	96.3	Very high	40 Å²	40	65.1 Å²	65.1	21%	0.209	32%	0.324	C	S	.	.	H	α-helix	trans	-66	-40.7	-178.9	-68.8	168.5	0	0	0	111.7	V302 I343 M347 P348 E353 Y354 M355 L380	V302-L351 HydrophobicContact CG1-CD1 4.38Å; V302-L351 HydrophobicContact CG1-CD2 4.42Å; V302-L351 HydrophobicContact CG2-CD2 4.1Å; I343-L351 HydrophobicContact CD1-CD2 4.15Å; M347-L351 HydrophobicContact CE-CD2 3.68Å; P348-L351 HydrophobicContact CG-CD2 3.73Å; L351-E353 PolarHBondContact O-N 2.95Å; L351-Y354 PolarHBondContact O-N 2.91Å; L351-M355 WeakPolarHBondContact O-CB 3.48Å; L351-M355 WeakPolarHBondContact O-CG 3.1Å; L351-M355 PolarHBondContact O-N 3.05Å; L351-L380 HydrophobicContact CB-CD1 3.62Å
352	T	96.6	Very high	96.3	Very high	65 Å²	65	67 Å²	67	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-43.9	-178.1	-54.4	0	0	0	0	111.6	N350 M355 A356 L375	N350-T352 PolarHBondContact OD1-N 2.81Å; T352-M355 PolarHBondContact O-N 2.81Å; T352-A356 WeakPolarHBondContact O-CB 3.39Å; T352-A356 PolarHBondContact O-N 2.84Å; T352-L375 HydrophobicContact CG2-CB 4.36Å
353	E	97	Very high	96.3	Very high	96 Å²	96	67.3 Å²	67.3	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-44.8	175.4	-177.5	179.4	178.8	0	0	111.8	N350 L351 M355 A356 E357	N350-E353 HydrophobicContact CB-CB 3.97Å; N350-E353 WeakPolarHBondContact CB-OE2 3.26Å; N350-E353 VanDerWaalsContact CG-CB 3.44Å; N350-E353 WeakPolarHBondContact ND2-CB 3.32Å; N350-E353 PolarHBondContact ND2-OE2 2.75Å; N350-E353 PolarHBondContact OD1-N 3.45Å; L351-E353 PolarHBondContact O-N 2.95Å; E353-M355 VanDerWaalsContact C-N 3.31Å; E353-M355 PolarHBondContact O-N 2.75Å; E353-A356 PolarHBondContact O-N 3.09Å; E353-E357 HydrophobicContact CG-CG 4.35Å; E353-E357 WeakPolarHBondContact O-CB 3.2Å; E353-E357 WeakPolarHBondContact O-CG 3.29Å; E353-E357 PolarHBondContact O-N 2.59Å
354	Y	97.6	Very high	96.2	Very high	47 Å²	47	68.2 Å²	68.2	18%	0.184	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-44.1	174.9	179.4	-93.1	0	0	0	112.1	I343 P348 N350 L351 K358 I359	I343-Y354 HydrophobicContact CD1-CD1 3.86Å; I343-Y354 HydrophobicContact CD1-CE1 3.65Å; I343-Y354 HydrophobicContact CG1-CE1 3.93Å; P348-Y354 HydrophobicContact CB-CD2 4.11Å; P348-Y354 HydrophobicContact CB-CG 4.17Å; P348-Y354 HydrophobicContact CG-CD1 4.17Å; P348-Y354 HydrophobicContact CG-CD2 3.98Å; P348-Y354 HydrophobicContact CG-CG 3.71Å; N350-Y354 PolarHBondContact O-N 2.76Å; N350-Y354 VanDerWaalsContact O-N 3.13Å; L351-Y354 PolarHBondContact O-N 2.91Å; Y354-K358 HydrophobicContact CD2-CB 4.18Å; Y354-K358 HydrophobicContact CD2-CG 3.81Å; Y354-K358 HydrophobicContact CE2-CB 4.04Å; Y354-K358 HydrophobicContact CE2-CG 3.92Å; Y354-K358 HydrophobicContact CG-CG 4.47Å; Y354-K358 WeakPolarHBondContact O-CA 3.39Å; Y354-K358 VanDerWaalsContact O-CB 3.27Å; Y354-K358 WeakPolarHBondContact O-CB 3.1Å; Y354-K358 PolarHBondContact O-N 2.89Å; Y354-I359 HydrophobicContact CD1-CG1 4.12Å; Y354-I359 HydrophobicContact CE1-CD1 3.8Å; Y354-I359 HydrophobicContact CE1-CG1 3.78Å; Y354-I359 PolarHBondContact O-N 2.95Å
355	M	97.7	Very high	96.3	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.005	36%	0.356	C	S	.	.	I	π-helix	trans	-63.1	-44.4	177.3	-67.3	-66.9	-173	0	0	111.9	V302 V341 L351 T352 E353 I359 H360 F371 L375 L380	V302-M355 HydrophobicContact CB-CE 3.44Å; V302-M355 VanDerWaalsContact CB-CE 3.44Å; V302-M355 HydrophobicContact CG1-CE 3.25Å; V302-M355 HydrophobicContact CG2-CE 4.41Å; V341-M355 HydrophobicContact CB-CE 3.8Å; V341-M355 HydrophobicContact CB-SD 4Å; V341-M355 HydrophobicContact CG1-CE 4.31Å; V341-M355 HydrophobicContact CG1-SD 4.19Å; V341-M355 HydrophobicContact CG2-CE 3.86Å; V341-M355 HydrophobicContact CG2-SD 3.58Å; V341-M355 VanDerWaalsContact CG2-SD 3.58Å; L351-M355 WeakPolarHBondContact O-CB 3.48Å; L351-M355 WeakPolarHBondContact O-CG 3.1Å; L351-M355 PolarHBondContact O-N 3.05Å; T352-M355 PolarHBondContact O-N 2.81Å; E353-M355 VanDerWaalsContact C-N 3.31Å; E353-M355 PolarHBondContact O-N 2.75Å; M355-I359 WeakPolarHBondContact O-CB 3.45Å; M355-I359 PolarHBondContact O-N 2.68Å; M355-I359 HydrophobicContact SD-CB 4.4Å; M355-I359 HydrophobicContact SD-CG1 4.03Å; M355-H360 WeakPolarHBondContact O-CB 3.42Å; M355-H360 PolarHBondContact O-N 2.88Å; M355-F371 HydrophobicContact CB-CE1 4.18Å; M355-F371 HydrophobicContact CB-CZ 3.96Å; M355-F371 HydrophobicContact CG-CZ 4.41Å; M355-F371 HydrophobicContact SD-CZ 4.01Å; M355-L375 HydrophobicContact CB-CD1 3.65Å; M355-L375 HydrophobicContact CB-CD2 3.57Å; M355-L375 HydrophobicContact CB-CG 4.26Å; M355-L375 HydrophobicContact CG-CD2 3.94Å; M355-L380 HydrophobicContact CG-CD1 4.13Å
356	A	97.8	Very high	96.6	Very high	31 Å²	31	70.4 Å²	70.4	26%	0.256	34%	0.341	S	S	.	.	I	π-helix	trans	-71.6	-39.2	-178.3	0	0	0	0	0	113.2	T352 E353 H360 M372 L375	T352-A356 WeakPolarHBondContact O-CB 3.39Å; T352-A356 PolarHBondContact O-N 2.84Å; E353-A356 PolarHBondContact O-N 3.09Å; A356-H360 WeakPolarHBondContact O-CB 3.28Å; A356-M372 HydrophobicContact CB-CE 4.3Å; A356-M372 HydrophobicContact CB-SD 4.36Å; A356-L375 HydrophobicContact CB-CD1 4.08Å
357	E	97.6	Very high	96.9	Very high	113 Å²	113	62.1 Å²	62.1	53%	0.528	30%	0.302	S	S	.	.	I	π-helix	trans	-91.8	-35.6	-174.3	-65.6	-167.8	168.6	0	0	113.8	E353 P361	E353-E357 HydrophobicContact CG-CG 4.35Å; E353-E357 WeakPolarHBondContact O-CB 3.2Å; E353-E357 WeakPolarHBondContact O-CG 3.29Å; E353-E357 PolarHBondContact O-N 2.59Å; E357-P361 WeakPolarHBondContact O-CG 3.31Å
358	K	96.9	Very high	97	Very high	112 Å²	112	61.8 Å²	61.8	49%	0.487	30%	0.299	S	S	.	.	I	π-helix	trans	-101.3	-41.1	-174	-53.5	-55.8	179.5	-164	0	112.1	Y354 Q362	Y354-K358 HydrophobicContact CD2-CB 4.18Å; Y354-K358 HydrophobicContact CD2-CG 3.81Å; Y354-K358 HydrophobicContact CE2-CB 4.04Å; Y354-K358 HydrophobicContact CE2-CG 3.92Å; Y354-K358 HydrophobicContact CG-CG 4.47Å; Y354-K358 WeakPolarHBondContact O-CA 3.39Å; Y354-K358 VanDerWaalsContact O-CB 3.27Å; Y354-K358 WeakPolarHBondContact O-CB 3.1Å; Y354-K358 PolarHBondContact O-N 2.89Å; K358-Q362 PolarHBondContact O-NE2 3.28Å
359	I	98.1	Very high	97.1	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.021	32%	0.322	C	S	.	.	I	π-helix	trans	-90.3	-51.7	-172.8	-55.1	-58.8	0	0	0	112	V327 V341 Y354 M355 P361 Q362 L363 F371	V327-I359 HydrophobicContact CG2-CG2 4.02Å; V341-I359 HydrophobicContact CG1-CD1 3.62Å; V341-I359 HydrophobicContact CG1-CG1 3.77Å; V341-I359 HydrophobicContact CG1-CG2 4.47Å; V341-I359 HydrophobicContact CG2-CG1 4.48Å; V341-I359 HydrophobicContact CG2-CG2 3.94Å; Y354-I359 HydrophobicContact CD1-CG1 4.12Å; Y354-I359 HydrophobicContact CE1-CD1 3.8Å; Y354-I359 HydrophobicContact CE1-CG1 3.78Å; Y354-I359 PolarHBondContact O-N 2.95Å; M355-I359 WeakPolarHBondContact O-CB 3.45Å; M355-I359 PolarHBondContact O-N 2.68Å; M355-I359 HydrophobicContact SD-CB 4.4Å; M355-I359 HydrophobicContact SD-CG1 4.03Å; I359-P361 VanDerWaalsContact C-CD 3.45Å; I359-Q362 WeakPolarHBondContact O-CB 3.39Å; I359-Q362 PolarHBondContact O-N 2.9Å; I359-L363 HydrophobicContact CG2-CD2 4.24Å; I359-L363 HydrophobicContact CG2-CG 4.4Å; I359-L363 PolarHBondContact O-N 3.16Å; I359-F371 HydrophobicContact CB-CZ 4.47Å; I359-F371 HydrophobicContact CG2-CE1 4.49Å; I359-F371 HydrophobicContact CG2-CZ 4.13Å
360	H	98.1	Very high	97.3	Very high	45 Å²	45	56.7 Å²	56.7	21%	0.208	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-50.6	-43.2	-176.1	165.4	-99.5	0	0	0	114.4	M355 A356 Q362 L363 K368 F371 M372	M355-H360 WeakPolarHBondContact O-CB 3.42Å; M355-H360 PolarHBondContact O-N 2.88Å; A356-H360 WeakPolarHBondContact O-CB 3.28Å; H360-Q362 PolarHBondContact O-N 2.75Å; H360-Q362 VanDerWaalsContact O-N 3.14Å; H360-L363 PolarHBondContact O-N 2.89Å; H360-K368 PolarHBondContact CD2-O 2.8Å; H360-F371 HydrophobicContact CB-CD1 3.91Å; H360-F371 HydrophobicContact CB-CE1 3.92Å; H360-M372 HydrophobicContact CB-SD 4.1Å; H360-M372 WeakPolarHBondContact CD2-CG 3.22Å; H360-M372 WeakPolarHBondContact NE2-CG 3.37Å
361	P	97.8	Very high	97.4	Very high	72 Å²	72	53 Å²	53	47%	0.468	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-62.5	-22.7	178.4	-24.2	35.6	0	0	0	114.5	E357 I359	E357-P361 WeakPolarHBondContact O-CG 3.31Å; I359-P361 VanDerWaalsContact C-CD 3.45Å
362	Q	97.8	Very high	97.5	Very high	41 Å²	41	54 Å²	54	19%	0.192	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-93.3	-6	-177.6	-57.5	-174.9	73.2	0	0	112.9	I196 A322 N323 K358 I359 H360	I196-Q362 HydrophobicContact CD1-CB 4.11Å; I196-Q362 HydrophobicContact CD1-CG 4.04Å; I196-Q362 VanDerWaalsContact CG2-O 3.28Å; I196-Q362 WeakPolarHBondContact CG2-O 3.47Å; A322-Q362 HydrophobicContact CB-CB 4.25Å; N323-Q362 PolarHBondContact O-NE2 2.91Å; N323-Q362 PolarHBondContact O-OE1 3.47Å; K358-Q362 PolarHBondContact O-NE2 3.28Å; I359-Q362 WeakPolarHBondContact O-CB 3.39Å; I359-Q362 PolarHBondContact O-N 2.9Å; H360-Q362 PolarHBondContact O-N 2.75Å; H360-Q362 VanDerWaalsContact O-N 3.14Å
363	L	97.8	Very high	97.5	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.037	27%	0.27	C	S	.	.	S	Bend	trans	-77.9	149.1	178.6	-63.6	-180	0	0	0	111.3	V320 V327 I359 H360 K368 F371	V320-L363 HydrophobicContact CG2-CD2 4.46Å; V327-L363 HydrophobicContact CG1-CD2 4.32Å; I359-L363 HydrophobicContact CG2-CD2 4.24Å; I359-L363 HydrophobicContact CG2-CG 4.4Å; I359-L363 PolarHBondContact O-N 3.16Å; H360-L363 PolarHBondContact O-N 2.89Å; L363-K368 HydrophobicContact CB-CG 4.3Å; L363-K368 WeakPolarHBondContact O-CE 3.46Å; L363-F371 HydrophobicContact CD1-CB 3.76Å; L363-F371 HydrophobicContact CD1-CD1 3.54Å; L363-F371 HydrophobicContact CD1-CD2 3.78Å; L363-F371 HydrophobicContact CD1-CE1 3.97Å; L363-F371 HydrophobicContact CD1-CE2 4.22Å; L363-F371 HydrophobicContact CD1-CG 3.41Å; L363-F371 VanDerWaalsContact CD1-CG 3.41Å; L363-F371 HydrophobicContact CD1-CZ 4.29Å
364	P	96.9	Very high	97.6	Very high	24 Å²	24	49.9 Å²	49.9	16%	0.156	25%	0.251	C	S	.	.			trans	-53.8	147.5	167.3	-26.6	35.1	0	0	0	112.7	H194 V320 H366 L367 K368	H194-P364 HydrophobicContact CB-CG 4.33Å; V320-P364 HydrophobicContact CG2-CG 4.08Å; P364-H366 VanDerWaalsContact C-N 3.26Å; P364-H366 VanDerWaalsContact CB-CE1 3.41Å; P364-H366 WeakPolarHBondContact CB-CE1 3.47Å; P364-H366 WeakPolarHBondContact CB-ND1 3.32Å; P364-H366 PolarHBondContact O-N 2.91Å; P364-L367 HydrophobicContact CG-CD1 4.44Å; P364-L367 PolarHBondContact O-N 2.83Å; P364-K368 PolarHBondContact O-N 3.19Å
365	E	96.3	Very high	97.5	Very high	142 Å²	142	48.3 Å²	48.3	66%	0.664	25%	0.246	S	C	*	.	H	α-helix	trans	-54.5	-38.7	-174.7	-67.7	-57.4	137.7	0	0	113.4	L367 K368	E365-L367 PolarHBondContact O-N 3.18Å; E365-K368 PolarHBondContact O-N 3.48Å; E365-K368 WeakPolarHBondContact OE1-CE 3.33Å; E365-K368 IonicContact OE1-NZ 2.71Å; E365-K368 PolarHBondContact OE1-NZ 2.78Å; E365-K368 IonicContact OE2-NZ 3.88Å
366	H	96.5	Very high	97.3	Very high	48 Å²	48	55.4 Å²	55.4	22%	0.222	28%	0.279	C	S	.	.	H	α-helix	trans	-68.1	-15.1	-179.1	69.6	-75.7	0	0	0	114.1	P310 F312 E318 P364	P310-H366 HydrophobicContact CG-CB 4.13Å; P310-H366 WeakPolarHBondContact CG-O 3.43Å; F312-H366 PolarHBondContact N-NE2 3.5Å; E318-H366 VanDerWaalsContact CD-NE2 3.32Å; E318-H366 IonicContact OE1-CD2 3.44Å; E318-H366 IonicContact OE1-CE1 2.87Å; E318-H366 IonicContact OE1-NE2 3.61Å; E318-H366 PolarHBondContact OE1-NE2 2.63Å; E318-H366 IonicContact OE2-CE1 3.8Å; E318-H366 PolarHBondContact OE2-CE1 2.84Å; E318-H366 IonicContact OE2-NE2 3.8Å; E318-H366 PolarHBondContact OE2-NE2 2.64Å; P364-H366 VanDerWaalsContact C-N 3.26Å; P364-H366 VanDerWaalsContact CB-CE1 3.41Å; P364-H366 WeakPolarHBondContact CB-CE1 3.47Å; P364-H366 WeakPolarHBondContact CB-ND1 3.32Å; P364-H366 PolarHBondContact O-N 2.91Å
367	L	97.8	Very high	97.1	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-104	-15	179.8	-59.1	-178.6	0	0	0	113.3	M306 S309 I329 P364 E365 F371	M306-L367 HydrophobicContact CE-CD2 3.97Å; S309-L367 WeakPolarHBondContact OG-CD2 3.39Å; I329-L367 HydrophobicContact CB-CD1 4.45Å; I329-L367 HydrophobicContact CD1-CD1 3.74Å; I329-L367 HydrophobicContact CG1-CD1 4.02Å; I329-L367 HydrophobicContact CG2-CD1 4.3Å; P364-L367 HydrophobicContact CG-CD1 4.44Å; P364-L367 PolarHBondContact O-N 2.83Å; E365-L367 PolarHBondContact O-N 3.18Å; L367-F371 WeakPolarHBondContact O-CB 3.15Å; L367-F371 PolarHBondContact O-N 3.15Å
368	K	97.4	Very high	96.9	Very high	44 Å²	44	57.1 Å²	57.1	19%	0.191	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-52.6	-172.4	-78.2	-173.4	178.9	174.6	0	113.2	H360 L363 P364 E365 F371 M372	H360-K368 PolarHBondContact CD2-O 2.8Å; L363-K368 HydrophobicContact CB-CG 4.3Å; L363-K368 WeakPolarHBondContact O-CE 3.46Å; P364-K368 PolarHBondContact O-N 3.19Å; E365-K368 PolarHBondContact O-N 3.48Å; E365-K368 WeakPolarHBondContact OE1-CE 3.33Å; E365-K368 IonicContact OE1-NZ 2.71Å; E365-K368 PolarHBondContact OE1-NZ 2.78Å; E365-K368 IonicContact OE2-NZ 3.88Å; K368-F371 PolarHBondContact O-N 2.83Å; K368-M372 PolarHBondContact O-N 3.5Å; K368-M372 VanDerWaalsContact O-N 3.09Å
369	E	97.8	Very high	96.7	Very high	155 Å²	155	61.1 Å²	61.1	72%	0.724	30%	0.299	S	S	*	.	H	α-helix	trans	-65.1	-52.2	-179.3	173.3	179.5	-163.7	0	0	112.4	F371 M372 V373	E369-F371 PolarHBondContact O-N 2.85Å; E369-M372 PolarHBondContact O-N 2.65Å; E369-M372 VanDerWaalsContact O-N 3.15Å; E369-V373 WeakPolarHBondContact O-CG2 3.19Å; E369-V373 PolarHBondContact O-N 3.25Å; E369-V373 VanDerWaalsContact O-N 3.08Å
370	P	98	Very high	96.6	Very high	24 Å²	24	62.2 Å²	62.2	16%	0.156	31%	0.305	C	S	.	.	H	α-helix	trans	-56	-35.4	175.7	-25.5	33	0	0	0	113.4	M306 A374	M306-P370 HydrophobicContact CB-CB 4.1Å; M306-P370 HydrophobicContact CG-CB 4.29Å; M306-P370 HydrophobicContact SD-CB 3.93Å; P370-A374 WeakPolarHBondContact O-CB 3.42Å; P370-A374 PolarHBondContact O-N 3.05Å
371	F	98.4	Very high	96.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-46.6	177.6	-175.7	-105	0	0	0	112	M306 V339 M355 I359 H360 L363 L367 K368 E369 V373 A374 L375	M306-F371 HydrophobicContact SD-CB 3.8Å; M306-F371 HydrophobicContact SD-CD2 4.27Å; M306-F371 PolarHBondContact SD-N 3.28Å; V339-F371 HydrophobicContact CG1-CD2 4.34Å; V339-F371 HydrophobicContact CG1-CE2 3.96Å; V339-F371 HydrophobicContact CG2-CD2 4.33Å; M355-F371 HydrophobicContact CB-CE1 4.18Å; M355-F371 HydrophobicContact CB-CZ 3.96Å; M355-F371 HydrophobicContact CG-CZ 4.41Å; M355-F371 HydrophobicContact SD-CZ 4.01Å; I359-F371 HydrophobicContact CB-CZ 4.47Å; I359-F371 HydrophobicContact CG2-CE1 4.49Å; I359-F371 HydrophobicContact CG2-CZ 4.13Å; H360-F371 HydrophobicContact CB-CD1 3.91Å; H360-F371 HydrophobicContact CB-CE1 3.92Å; L363-F371 HydrophobicContact CD1-CB 3.76Å; L363-F371 HydrophobicContact CD1-CD1 3.54Å; L363-F371 HydrophobicContact CD1-CD2 3.78Å; L363-F371 HydrophobicContact CD1-CE1 3.97Å; L363-F371 HydrophobicContact CD1-CE2 4.22Å; L363-F371 HydrophobicContact CD1-CG 3.41Å; L363-F371 VanDerWaalsContact CD1-CG 3.41Å; L363-F371 HydrophobicContact CD1-CZ 4.29Å; L367-F371 WeakPolarHBondContact O-CB 3.15Å; L367-F371 PolarHBondContact O-N 3.15Å; K368-F371 PolarHBondContact O-N 2.83Å; E369-F371 PolarHBondContact O-N 2.85Å; F371-V373 VanDerWaalsContact C-N 3.32Å; F371-V373 PolarHBondContact O-N 3.34Å; F371-A374 WeakPolarHBondContact O-CB 3.34Å; F371-A374 PolarHBondContact O-N 2.84Å; F371-A374 VanDerWaalsContact O-N 3.13Å; F371-L375 HydrophobicContact CD1-CD1 4.13Å; F371-L375 HydrophobicContact CD1-CG 4.36Å; F371-L375 HydrophobicContact CE1-CD1 3.74Å; F371-L375 HydrophobicContact CE1-CD2 4.33Å; F371-L375 HydrophobicContact CE1-CG 4.13Å; F371-L375 HydrophobicContact CE2-CD2 4.49Å; F371-L375 HydrophobicContact CZ-CD1 4.33Å; F371-L375 HydrophobicContact CZ-CD2 4.11Å; F371-L375 HydrophobicContact CZ-CG 4.4Å; F371-L375 WeakPolarHBondContact O-CG 3.5Å; F371-L375 PolarHBondContact O-N 3.48Å
372	M	97.9	Very high	96.4	Very high	61 Å²	61	62.5 Å²	62.5	30%	0.3	31%	0.305	S	S	.	.	H	α-helix	trans	-62.6	-39	177.3	-72.3	-58.3	-62.7	0	0	112.4	A356 H360 K368 E369 A374 L375 Q376	A356-M372 HydrophobicContact CB-CE 4.3Å; A356-M372 HydrophobicContact CB-SD 4.36Å; H360-M372 HydrophobicContact CB-SD 4.1Å; H360-M372 WeakPolarHBondContact CD2-CG 3.22Å; H360-M372 WeakPolarHBondContact NE2-CG 3.37Å; K368-M372 PolarHBondContact O-N 3.5Å; K368-M372 VanDerWaalsContact O-N 3.09Å; E369-M372 PolarHBondContact O-N 2.65Å; E369-M372 VanDerWaalsContact O-N 3.15Å; M372-A374 VanDerWaalsContact C-N 3.33Å; M372-L375 PolarHBondContact O-N 3.01Å; M372-L375 HydrophobicContact SD-CD1 4.09Å; M372-Q376 PolarHBondContact O-N 3.09Å
373	V	97.5	Very high	96.3	Very high	70 Å²	70	62.2 Å²	62.2	42%	0.424	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-41.1	173.8	175.2	0	0	0	0	110.9	E369 F371 L375 Q376 N377	E369-V373 WeakPolarHBondContact O-CG2 3.19Å; E369-V373 PolarHBondContact O-N 3.25Å; E369-V373 VanDerWaalsContact O-N 3.08Å; F371-V373 VanDerWaalsContact C-N 3.32Å; F371-V373 PolarHBondContact O-N 3.34Å; V373-L375 PolarHBondContact O-N 3.16Å; V373-Q376 PolarHBondContact O-N 3.49Å; V373-N377 WeakPolarHBondContact CG1-ND2 2.77Å; V373-N377 PolarHBondContact O-N 2.68Å; V373-N377 PolarHBondContact O-ND2 2.96Å
374	A	97.3	Very high	96.3	Very high	5 Å²	5	63.7 Å²	63.7	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-39	176.7	0	0	0	0	0	112.5	I305 M306 P370 F371 M372 Q376 N377 D378	I305-A374 VanDerWaalsContact O-CB 3.27Å; I305-A374 WeakPolarHBondContact O-CB 3.46Å; M306-A374 HydrophobicContact CG-CB 3.94Å; P370-A374 WeakPolarHBondContact O-CB 3.42Å; P370-A374 PolarHBondContact O-N 3.05Å; F371-A374 WeakPolarHBondContact O-CB 3.34Å; F371-A374 PolarHBondContact O-N 2.84Å; F371-A374 VanDerWaalsContact O-N 3.13Å; M372-A374 VanDerWaalsContact C-N 3.33Å; A374-Q376 PolarHBondContact O-N 2.95Å; A374-N377 PolarHBondContact O-N 3.24Å; A374-D378 WeakPolarHBondContact O-CB 3.44Å; A374-D378 PolarHBondContact O-N 3.49Å
375	L	96.4	Very high	96.2	Very high	14 Å²	14	62.5 Å²	62.5	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-62.8	-25.5	177.6	-66.6	-174.7	0	0	0	113.7	T352 M355 A356 F371 M372 V373 L380	T352-L375 HydrophobicContact CG2-CB 4.36Å; M355-L375 HydrophobicContact CB-CD1 3.65Å; M355-L375 HydrophobicContact CB-CD2 3.57Å; M355-L375 HydrophobicContact CB-CG 4.26Å; M355-L375 HydrophobicContact CG-CD2 3.94Å; A356-L375 HydrophobicContact CB-CD1 4.08Å; F371-L375 HydrophobicContact CD1-CD1 4.13Å; F371-L375 HydrophobicContact CD1-CG 4.36Å; F371-L375 HydrophobicContact CE1-CD1 3.74Å; F371-L375 HydrophobicContact CE1-CD2 4.33Å; F371-L375 HydrophobicContact CE1-CG 4.13Å; F371-L375 HydrophobicContact CE2-CD2 4.49Å; F371-L375 HydrophobicContact CZ-CD1 4.33Å; F371-L375 HydrophobicContact CZ-CD2 4.11Å; F371-L375 HydrophobicContact CZ-CG 4.4Å; F371-L375 WeakPolarHBondContact O-CG 3.5Å; F371-L375 PolarHBondContact O-N 3.48Å; M372-L375 PolarHBondContact O-N 3.01Å; M372-L375 HydrophobicContact SD-CD1 4.09Å; V373-L375 PolarHBondContact O-N 3.16Å; L375-L380 HydrophobicContact CD2-CD1 4.45Å; L375-L380 HydrophobicContact CD2-CD2 3.96Å
376	Q	94.4	Very high	96.1	Very high	151 Å²	151	56.5 Å²	56.5	71%	0.706	28%	0.28	S	S	*	.	H	α-helix	trans	-85.9	-32.3	177.6	-66.4	177.1	-4.9	0	0	112.7	M372 V373 A374	M372-Q376 PolarHBondContact O-N 3.09Å; V373-Q376 PolarHBondContact O-N 3.49Å; A374-Q376 PolarHBondContact O-N 2.95Å
377	N	93.4	Very high	96.1	Very high	131 Å²	131	55.5 Å²	55.5	70%	0.701	28%	0.275	S	S	*	.	H	α-helix	trans	-112.9	-20.1	-165.6	-64.5	-62.2	0	0	0	114.7	V373 A374	V373-N377 WeakPolarHBondContact CG1-ND2 2.77Å; V373-N377 PolarHBondContact O-N 2.68Å; V373-N377 PolarHBondContact O-ND2 2.96Å; A374-N377 PolarHBondContact O-N 3.24Å
378	D	92.3	Very high	95.9	Very high	48 Å²	48	55.5 Å²	55.5	26%	0.257	28%	0.275	S	S	.	.	S	Bend	trans	-108.2	153.2	-179.5	-170.1	34.6	0	0	0	112.2	C304 I305 A374	C304-D378 VanDerWaalsContact CA-OD2 3.23Å; C304-D378 WeakPolarHBondContact CA-OD2 3.46Å; I305-D378 PolarHBondContact N-OD2 2.83Å; A374-D378 WeakPolarHBondContact O-CB 3.44Å; A374-D378 PolarHBondContact O-N 3.49Å
379	R	93.7	Very high	95.7	Very high	196 Å²	196	55.3 Å²	55.3	74%	0.74	28%	0.278	S	S	*	.			trans	-85.5	117.4	176.1	-179.1	-179.2	174.4	-175.5	0.7	110.3	R381	R379-R381 PolarHBondContact O-N 2.81Å
380	L	96	Very high	95.5	Very high	27 Å²	27	48 Å²	48	14%	0.141	25%	0.245	C	C	.	.			trans	-62.2	126.5	170	-58.4	-175.2	0	0	0	110.8	V302 C304 L351 M355 L375	V302-L380 HydrophobicContact CG1-CB 4.23Å; C304-L380 HydrophobicContact CB-CD2 3.69Å; L351-L380 HydrophobicContact CB-CD1 3.62Å; M355-L380 HydrophobicContact CG-CD1 4.13Å; L375-L380 HydrophobicContact CD2-CD1 4.45Å; L375-L380 HydrophobicContact CD2-CD2 3.96Å
381	R	95.7	Very high	95.1	Very high	58 Å²	58	47.7 Å²	47.7	22%	0.219	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.4	178.2	-71.9	-177.9	-93	178.7	0.3	109.8	D156 I158 V302 G303 R379	D156-R381 IonicContact OD1-CZ 3.77Å; D156-R381 IonicContact OD1-NH1 3.93Å; D156-R381 PolarHBondContact OD1-NH1 3.34Å; D156-R381 IonicContact OD1-NH2 3.41Å; D156-R381 IonicContact OD2-CZ 3.59Å; D156-R381 IonicContact OD2-NH1 2.63Å; D156-R381 PolarHBondContact OD2-NH1 3.16Å; I158-R381 HydrophobicContact CD1-CB 3.99Å; I158-R381 WeakPolarHBondContact CD1-O 3.36Å; I158-R381 HydrophobicContact CG2-CB 3.77Å; I158-R381 HydrophobicContact CG2-CG 4.47Å; V302-R381 CarbonylContact C-O 3.59Å; V302-R381 VanDerWaalsContact CA-O 3.29Å; V302-R381 WeakPolarHBondContact CA-O 3.44Å; G303-R381 PolarHBondContact N-O 2.73Å; G303-R381 PolarHBondContact O-N 3.19Å; G303-R381 VanDerWaalsContact O-N 3.1Å; R379-R381 PolarHBondContact O-N 2.81Å
382	S	96	Very high	94.8	Very high	65 Å²	65	48.3 Å²	48.3	46%	0.455	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	142.9	179.1	69.1	0	0	0	0	112.2	F301	F301-S382 CarbonylContact O-C 3.6Å; F301-S382 WeakPolarHBondContact O-CA 3.22Å
383	M	95.9	Very high	94.5	Very high	36 Å²	36	45.8 Å²	45.8	18%	0.177	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.8	171.5	-76.2	-67.1	-65	0	0	110.2	I158 V159 F283 H300 F301	I158-M383 HydrophobicContact CD1-CB 4.31Å; I158-M383 HydrophobicContact CD1-CG 3.95Å; I158-M383 HydrophobicContact CG1-CB 4.4Å; I158-M383 HydrophobicContact CG1-CG 3.71Å; V159-M383 HydrophobicContact CG1-CB 4.06Å; V159-M383 HydrophobicContact CG1-CG 4.19Å; V159-M383 HydrophobicContact CG2-CE 4.17Å; F283-M383 HydrophobicContact CE2-CE 4.02Å; F283-M383 HydrophobicContact CZ-CE 4.32Å; H300-M383 CarbonylContact C-O 3.14Å; H300-M383 WeakPolarHBondContact CA-O 3.11Å; F301-M383 PolarHBondContact N-O 3.25Å; F301-M383 PolarHBondContact O-N 2.9Å
384	P	95.9	Very high	94.2	Very high	37 Å²	37	46.4 Å²	46.4	24%	0.24	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137.8	176.3	28.8	-33.9	0	0	0	110.9	F283 T297 S386	F283-P384 HydrophobicContact CE1-CG 3.92Å; F283-P384 HydrophobicContact CZ-CG 3.73Å; T297-P384 HydrophobicContact CG2-CB 3.82Å; P384-S386 PolarHBondContact O-N 3.19Å
385	A	96.1	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	90.3	169.6	0	0	0	0	0	108.8	S298 S299 H409 P410	S298-A385 PolarHBondContact N-O 3.11Å; S299-A385 WeakPolarHBondContact O-CB 3.26Å; S299-A385 PolarHBondContact O-N 3.46Å; S299-A385 WeakPolarHBondContact OG-CB 3.37Å; A385-H409 WeakPolarHBondContact CB-NE2 3.4Å; A385-P410 HydrophobicContact CB-CG 3.99Å
386	S	94.4	Very high	94	Very high	15 Å²	15	50 Å²	50	11%	0.105	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	148.7	-174.8	-57.4	0	0	0	0	113.3	Q296 P384 R408	Q296-S386 CarbonylContact O-C 3.55Å; Q296-S386 VanDerWaalsContact O-CA 3.28Å; Q296-S386 WeakPolarHBondContact O-CA 3.16Å; P384-S386 PolarHBondContact O-N 3.19Å; S386-R408 CarbonylContact O-C 3.52Å
387	F	95.3	Very high	94.1	Very high	27 Å²	27	43.1 Å²	43.1	12%	0.118	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.7	167.9	-177.7	-133.4	0	0	0	110.1	A295 Q296 P389 M407 Q466 L559	A295-F387 WeakPolarHBondContact CA-O 3.16Å; Q296-F387 PolarHBondContact N-O 3.5Å; Q296-F387 PolarHBondContact O-N 3.39Å; F387-P389 HydrophobicContact CE1-CG 4.41Å; F387-P389 HydrophobicContact CZ-CB 4.07Å; F387-P389 HydrophobicContact CZ-CG 4.37Å; F387-M407 WeakPolarHBondContact CD2-O 3.24Å; F387-Q466 VanDerWaalsContact CB-NE2 3.29Å; F387-Q466 HydrophobicContact CD2-CG 3.76Å; F387-Q466 HydrophobicContact CE2-CG 3.82Å; F387-Q466 HydrophobicContact CG-CG 4.25Å; F387-Q466 VanDerWaalsContact CG-NE2 3.34Å; F387-Q466 HydrophobicContact CZ-CG 4.37Å; F387-L559 HydrophobicContact CE1-CD2 4.49Å; F387-L559 HydrophobicContact CZ-CD2 4.19Å
388	L	95	Very high	94.3	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-144.1	107.4	168.3	177.4	70.2	0	0	0	109	Y405 N406 M407	L388-Y405 VanDerWaalsContact CD2-O 3.31Å; L388-Y405 WeakPolarHBondContact CD2-O 3.48Å; L388-N406 WeakPolarHBondContact O-CA 3.17Å; L388-N406 PolarHBondContact O-ND2 2.91Å; L388-M407 CarbonylContact C-O 3.44Å; L388-M407 HydrophobicContact CB-CB 3.98Å; L388-M407 HydrophobicContact CB-CE 3.77Å; L388-M407 HydrophobicContact CB-CG 4.38Å; L388-M407 HydrophobicContact CD2-CE 4.24Å; L388-M407 PolarHBondContact N-O 3.24Å; L388-M407 PolarHBondContact O-N 3.46Å; L388-M407 VanDerWaalsContact O-O 3.08Å
389	P	93.3	Very high	94.6	Very high	40 Å²	40	34.8 Å²	34.8	26%	0.26	18%	0.179	S	C	.	.			trans	-66	151.3	175.4	28.1	-34.7	0	0	0	111.1	F387	F387-P389 HydrophobicContact CE1-CG 4.41Å; F387-P389 HydrophobicContact CZ-CB 4.07Å; F387-P389 HydrophobicContact CZ-CG 4.37Å
390	P	92	Very high	94.8	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.013	15%	0.145	C	C	.	.			trans	-68.4	142.4	-179.6	29.5	-33.2	0	0	0	111.6	Y405 N406 E563	P390-Y405 HydrophobicContact CB-CE1 3.82Å; P390-Y405 WeakPolarHBondContact CB-OH 3.09Å; P390-N406 HydrophobicContact CB-CB 4.2Å; P390-N406 WeakPolarHBondContact CD-ND2 3.46Å; P390-E563 WeakPolarHBondContact CD-OE1 3.5Å
391	S	91.2	Very high	94.9	Very high	16 Å²	16	24.4 Å²	24.4	11%	0.112	14%	0.139	C	C	.	.			trans	-128.7	151.8	177.3	-179.7	0	0	0	0	110.3	Y405 H450	S391-Y405 WeakPolarHBondContact O-CE2 3.32Å; S391-Y405 PolarHBondContact O-OH 3.13Å; S391-H450 PolarHBondContact O-CE1 3.34Å
392	P	90.2	Very high	95	Very high	14 Å²	14	22 Å²	22	9%	0.091	13%	0.132	C	C	.	.			trans	-60.9	142.8	170.1	-24.4	35.2	0	0	0	112.2	N394 Y566 V568	P392-N394 WeakPolarHBondContact CB-OD1 3.22Å; P392-Y566 HydrophobicContact CG-CG 4.21Å; P392-V568 HydrophobicContact CB-CG2 4.13Å; P392-V568 HydrophobicContact CG-CG2 4.17Å
393	V	92.9	Very high	95	Very high	8 Å²	8	21.9 Å²	21.9	5%	0.048	13%	0.126	C	C	.	.			trans	-112.9	85.3	173.9	-175.5	0	0	0	0	107.9	L290 V291 K395 V398 L400 Y405 K446	L290-V393 HydrophobicContact CB-CG1 4.44Å; V291-V393 HydrophobicContact CG1-CG2 3.88Å; V393-K395 VanDerWaalsContact C-N 3.34Å; V393-V398 HydrophobicContact CG1-CG1 4.39Å; V393-L400 HydrophobicContact CG2-CB 3.91Å; V393-Y405 HydrophobicContact CG2-CD2 4.16Å; V393-Y405 HydrophobicContact CG2-CE2 3.91Å; V393-K446 WeakPolarHBondContact O-CD 3.49Å; V393-K446 PolarHBondContact O-NZ 3.1Å
394	N	90	Very high	95.1	Very high	82 Å²	82	20.2 Å²	20.2	44%	0.439	12%	0.118	S	C	.	.			trans	-79.2	-17.3	-172.1	-63.4	-12.7	0	0	0	113.2	P392	P392-N394 WeakPolarHBondContact CB-OD1 3.22Å
395	K	93.9	Very high	95.1	Very high	50 Å²	50	18.6 Å²	18.6	22%	0.217	11%	0.107	C	C	.	.	S	Bend	trans	-60.8	126.7	179.4	-170.5	172.3	-66.4	-151.3	0	110.3	E250 V255 L290 V393 V398 K446	E250-K395 IonicContact OE1-NZ 2.98Å; E250-K395 PolarHBondContact OE1-NZ 2.93Å; E250-K395 IonicContact OE2-NZ 3.31Å; E250-K395 PolarHBondContact OE2-NZ 3.38Å; V255-K395 HydrophobicContact CG2-CD 3.64Å; V255-K395 HydrophobicContact CG2-CG 4.17Å; L290-K395 HydrophobicContact CD2-CB 4.36Å; L290-K395 HydrophobicContact CD2-CD 3.99Å; V393-K395 VanDerWaalsContact C-N 3.34Å; K395-V398 HydrophobicContact CB-CG1 3.78Å; K395-V398 HydrophobicContact CD-CG1 4.26Å; K395-V398 HydrophobicContact CG-CG1 3.95Å; K395-V398 WeakPolarHBondContact O-CG1 3.44Å; K395-K446 PolarHBondContact O-NZ 3.4Å
396	P	95.9	Very high	95.1	Very high	45 Å²	45	18.6 Å²	18.6	29%	0.292	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	160.9	178.5	24.3	-26.4	0	0	0	111.9	C254 V255 V398 N439	C254-P396 HydrophobicContact CB-CB 4.39Å; C254-P396 HydrophobicContact CB-CG 3.93Å; V255-P396 PolarHBondContact N-O 3.11Å; P396-V398 PolarHBondContact O-N 3.35Å; P396-V398 VanDerWaalsContact O-N 3.13Å; P396-N439 WeakPolarHBondContact CB-OD1 3.29Å
397	G	96.9	Very high	95.2	Very high	6 Å²	6	18.3 Å²	18.3	6%	0.062	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	1	-178.5	0	0	0	0	0	116.1	V255 V275 T276	V255-G397 WeakPolarHBondContact O-CA 3.28Å; V275-G397 WeakPolarHBondContact CA-O 3.34Å; T276-G397 PolarHBondContact N-O 3.15Å
398	V	98.1	Very high	95.3	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.4	-177.6	65	0	0	0	0	114.1	V255 T276 V278 L290 V393 K395 P396 K446	V255-V398 HydrophobicContact CB-CB 3.91Å; V255-V398 HydrophobicContact CB-CG1 4.33Å; V255-V398 HydrophobicContact CG1-CB 4.26Å; V255-V398 HydrophobicContact CG2-CB 3.77Å; V255-V398 HydrophobicContact CG2-CG1 3.76Å; V255-V398 HydrophobicContact CG2-CG2 4.47Å; T276-V398 CarbonylContact O-C 3.51Å; T276-V398 VanDerWaalsContact O-CA 3.24Å; T276-V398 WeakPolarHBondContact O-CA 3.08Å; T276-V398 WeakPolarHBondContact O-CG2 3.27Å; V278-V398 HydrophobicContact CG2-CG2 4.03Å; L290-V398 HydrophobicContact CD1-CG2 3.82Å; L290-V398 HydrophobicContact CD2-CG1 3.7Å; L290-V398 HydrophobicContact CD2-CG2 4.19Å; V393-V398 HydrophobicContact CG1-CG1 4.39Å; K395-V398 HydrophobicContact CB-CG1 3.78Å; K395-V398 HydrophobicContact CD-CG1 4.26Å; K395-V398 HydrophobicContact CG-CG1 3.95Å; K395-V398 WeakPolarHBondContact O-CG1 3.44Å; P396-V398 PolarHBondContact O-N 3.35Å; P396-V398 VanDerWaalsContact O-N 3.13Å; V398-K446 WeakPolarHBondContact O-CE 3.42Å; V398-K446 PolarHBondContact O-NZ 3.17Å
399	L	98.3	Very high	95.4	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.1	166.1	-56.4	-176.7	0	0	0	109	M134 V275 T276 V277 V278 L401 W426 M442 K446	M134-L399 HydrophobicContact CE-CD1 4.33Å; V275-L399 HydrophobicContact CG1-CD1 4.22Å; V275-L399 HydrophobicContact CG1-CG 4.01Å; T276-L399 PolarHBondContact O-N 2.84Å; V277-L399 HydrophobicContact CG1-CB 4.44Å; V277-L399 HydrophobicContact CG2-CB 4.34Å; V277-L399 HydrophobicContact CG2-CD1 4.22Å; V278-L399 PolarHBondContact N-O 3.41Å; L399-L401 HydrophobicContact CB-CD1 4.43Å; L399-L401 HydrophobicContact CB-CG 4.31Å; L399-W426 HydrophobicContact CD1-CD2 4.02Å; L399-W426 HydrophobicContact CD1-CE3 3.95Å; L399-W426 HydrophobicContact CD1-CH2 4.02Å; L399-W426 HydrophobicContact CD1-CZ2 4.09Å; L399-W426 HydrophobicContact CD1-CZ3 3.95Å; L399-W426 HydrophobicContact CD2-CH2 3.55Å; L399-W426 HydrophobicContact CD2-CZ2 3.78Å; L399-W426 HydrophobicContact CD2-CZ3 4.15Å; L399-W426 HydrophobicContact CG-CH2 4.47Å; L399-M442 HydrophobicContact CD2-CE 4.37Å; L399-K446 HydrophobicContact CD2-CD 4.43Å; L399-K446 VanDerWaalsContact CD2-CE 3.42Å; L399-K446 HydrophobicContact CD2-CG 4.14Å
400	L	97.9	Very high	95.5	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	169.1	-178.9	66.2	0	0	0	106.8	V278 R287 L290 V291 V393 A404 Y405	V278-L400 HydrophobicContact CB-CD1 3.71Å; V278-L400 HydrophobicContact CG1-CD1 3.51Å; R287-L400 HydrophobicContact CG-CD2 4.3Å; L290-L400 HydrophobicContact CB-CD2 4.19Å; L290-L400 HydrophobicContact CD1-CB 4.09Å; L290-L400 HydrophobicContact CD1-CD1 4.2Å; L290-L400 HydrophobicContact CD1-CD2 4.5Å; L290-L400 HydrophobicContact CD1-CG 4.49Å; V291-L400 HydrophobicContact CG1-CD2 4.04Å; V291-L400 HydrophobicContact CG2-CD2 4.02Å; V393-L400 HydrophobicContact CG2-CB 3.91Å; L400-A404 HydrophobicContact CD1-CB 3.58Å; L400-A404 HydrophobicContact CG-CB 4.41Å; L400-Y405 HydrophobicContact CB-CD2 4.24Å; L400-Y405 HydrophobicContact CD2-CD2 4.26Å; L400-Y405 HydrophobicContact CG-CD2 4.2Å; L400-Y405 VanDerWaalsContact O-CB 3.29Å; L400-Y405 WeakPolarHBondContact O-CB 3.25Å; L400-Y405 WeakPolarHBondContact O-CD2 3.45Å
401	L	98.3	Very high	95.7	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.016	10%	0.104	C	C	.	.			trans	-136	164.8	-173.6	-59.7	176.9	0	0	0	113.1	L130 M134 V277 V278 L399 A404 W426 F449	L130-L401 HydrophobicContact CD1-CB 3.47Å; L130-L401 VanDerWaalsContact CD1-CB 3.47Å; L130-L401 HydrophobicContact CD2-CB 3.81Å; L130-L401 HydrophobicContact CD2-CD1 4.19Å; L130-L401 HydrophobicContact CG-CB 4.32Å; M134-L401 HydrophobicContact CE-CD1 4.14Å; M134-L401 HydrophobicContact SD-CD1 3.75Å; V277-L401 HydrophobicContact CG1-CD1 3.86Å; V277-L401 HydrophobicContact CG1-CG 4.33Å; V278-L401 PolarHBondContact O-N 2.92Å; L399-L401 HydrophobicContact CB-CD1 4.43Å; L399-L401 HydrophobicContact CB-CG 4.31Å; L401-A404 WeakPolarHBondContact O-CB 3.28Å; L401-W426 HydrophobicContact CD1-CG 4.32Å; L401-F449 HydrophobicContact CD2-CE1 4.07Å; L401-F449 HydrophobicContact CD2-CZ 3.87Å
402	G	97.5	Very high	95.8	Very high	8 Å²	8	17.7 Å²	17.7	8%	0.082	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	72	-150.6	177.3	0	0	0	0	0	112.3	L130 A404 Y405 N406	L130-G402 VanDerWaalsContact CD1-N 3.3Å; G402-A404 PolarHBondContact O-N 3.26Å; G402-Y405 WeakPolarHBondContact O-CA 3.44Å; G402-Y405 VanDerWaalsContact O-CB 3.31Å; G402-Y405 WeakPolarHBondContact O-CB 3.39Å; G402-Y405 PolarHBondContact O-N 2.96Å; G402-N406 PolarHBondContact O-N 3.38Å
403	D	97	Very high	96	Very high	62 Å²	62	18 Å²	18	33%	0.332	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-69.5	-11.8	179.1	-75.2	-2.1	0	0	0	113.1	G281 C282 R287 M407 R408	G281-D403 CarbonylContact O-C 3.49Å; C282-D403 HydrophobicContact CB-CB 4.16Å; R287-D403 PolarHBondContact NH1-O 3.43Å; R287-D403 PolarHBondContact NH2-O 2.96Å; R287-D403 VanDerWaalsContact NH2-O 3.1Å; D403-M407 HydrophobicContact CB-CG 3.87Å; D403-M407 HydrophobicContact CB-SD 4.29Å; D403-M407 WeakPolarHBondContact O-CG 3.42Å; D403-M407 VanDerWaalsContact O-SD 3.34Å; D403-R408 IonicContact OD1-NH1 3.65Å
404	A	96.9	Very high	96.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-68.1	-27.3	167.1	0	0	0	0	0	111.5	D280 G281 R287 L400 L401 G402	D280-A404 WeakPolarHBondContact OD1-CB 3.4Å; G281-A404 VanDerWaalsContact O-CA 3.28Å; G281-A404 WeakPolarHBondContact O-CA 3.14Å; G281-A404 PolarHBondContact O-N 3.01Å; R287-A404 WeakPolarHBondContact CG-O 3.22Å; R287-A404 PolarHBondContact NE-O 3.48Å; R287-A404 PolarHBondContact NH1-O 3.46Å; L400-A404 HydrophobicContact CD1-CB 3.58Å; L400-A404 HydrophobicContact CG-CB 4.41Å; L401-A404 WeakPolarHBondContact O-CB 3.28Å; G402-A404 PolarHBondContact O-N 3.26Å
405	Y	96.4	Very high	96.4	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.012	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-50.2	-175	176.3	-115	0	0	0	114	L388 P390 S391 V393 L400 G402 F449 H450	L388-Y405 VanDerWaalsContact CD2-O 3.31Å; L388-Y405 WeakPolarHBondContact CD2-O 3.48Å; P390-Y405 HydrophobicContact CB-CE1 3.82Å; P390-Y405 WeakPolarHBondContact CB-OH 3.09Å; S391-Y405 WeakPolarHBondContact O-CE2 3.32Å; S391-Y405 PolarHBondContact O-OH 3.13Å; V393-Y405 HydrophobicContact CG2-CD2 4.16Å; V393-Y405 HydrophobicContact CG2-CE2 3.91Å; L400-Y405 HydrophobicContact CB-CD2 4.24Å; L400-Y405 HydrophobicContact CD2-CD2 4.26Å; L400-Y405 HydrophobicContact CG-CD2 4.2Å; L400-Y405 VanDerWaalsContact O-CB 3.29Å; L400-Y405 WeakPolarHBondContact O-CB 3.25Å; L400-Y405 WeakPolarHBondContact O-CD2 3.45Å; G402-Y405 WeakPolarHBondContact O-CA 3.44Å; G402-Y405 VanDerWaalsContact O-CB 3.31Å; G402-Y405 WeakPolarHBondContact O-CB 3.39Å; G402-Y405 PolarHBondContact O-N 2.96Å; Y405-F449 HydrophobicContact CE1-CE1 4.43Å; Y405-H450 PolarHBondContact OH-CE1 2.84Å; Y405-H450 PolarHBondContact OH-ND1 3.04Å
406	N	96.3	Very high	96.6	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	9%	0.086	C	C	.	.			trans	-147.7	122.5	-170.7	173.5	-150.8	0	0	0	109.5	L388 P390 G402 R408 R453 N462	L388-N406 WeakPolarHBondContact O-CA 3.17Å; L388-N406 PolarHBondContact O-ND2 2.91Å; P390-N406 HydrophobicContact CB-CB 4.2Å; P390-N406 WeakPolarHBondContact CD-ND2 3.46Å; G402-N406 PolarHBondContact O-N 3.38Å; N406-R408 PolarHBondContact O-NH1 3.48Å; N406-R408 PolarHBondContact OD1-NH2 2.71Å; N406-R453 PolarHBondContact OD1-NH2 2.99Å; N406-N462 PolarHBondContact ND2-ND2 2.71Å; N406-N462 PolarHBondContact OD1-ND2 3.39Å
407	M	96.6	Very high	96.7	Very high	8 Å²	8	11 Å²	11	4%	0.039	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-123.9	150.1	-178.3	-62.9	-175.7	-68.6	0	0	110.7	C282 A295 F387 L388 D403	C282-M407 HydrophobicContact CB-SD 3.53Å; C282-M407 VanDerWaalsContact CB-SD 3.53Å; A295-M407 HydrophobicContact CB-CE 3.34Å; F387-M407 WeakPolarHBondContact CD2-O 3.24Å; L388-M407 CarbonylContact C-O 3.44Å; L388-M407 HydrophobicContact CB-CB 3.98Å; L388-M407 HydrophobicContact CB-CE 3.77Å; L388-M407 HydrophobicContact CB-CG 4.38Å; L388-M407 HydrophobicContact CD2-CE 4.24Å; L388-M407 PolarHBondContact N-O 3.24Å; L388-M407 PolarHBondContact O-N 3.46Å; L388-M407 VanDerWaalsContact O-O 3.08Å; D403-M407 HydrophobicContact CB-CG 3.87Å; D403-M407 HydrophobicContact CB-SD 4.29Å; D403-M407 WeakPolarHBondContact O-CG 3.42Å; D403-M407 VanDerWaalsContact O-SD 3.34Å
408	R	96.4	Very high	96.8	Very high	16 Å²	16	10.8 Å²	10.8	6%	0.06	7%	0.07	C	C	.	.			trans	-139.8	163.1	176.8	69.3	-71.6	-59.5	162.8	1.2	109.5	S386 D403 N406 V461 N462 A465	S386-R408 CarbonylContact O-C 3.52Å; D403-R408 IonicContact OD1-NH1 3.65Å; N406-R408 PolarHBondContact O-NH1 3.48Å; N406-R408 PolarHBondContact OD1-NH2 2.71Å; R408-V461 HydrophobicContact CG-CG1 4.21Å; R408-N462 PolarHBondContact NE-OD1 3.12Å; R408-N462 PolarHBondContact NH2-OD1 3.36Å; R408-A465 HydrophobicContact CB-CB 3.96Å; R408-A465 HydrophobicContact CG-CB 3.91Å
409	H	97.1	Very high	96.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.072	C	C	.	.			trans	-55.7	129.7	176.3	-164.1	-82	0	0	0	110.5	S299 D342 A385 L411 A465 Y469	S299-H409 PolarHBondContact OG-NE2 2.7Å; S299-H409 VanDerWaalsContact OG-NE2 3.09Å; D342-H409 IonicContact OD1-CE1 3.59Å; D342-H409 IonicContact OD1-NE2 2.91Å; A385-H409 WeakPolarHBondContact CB-NE2 3.4Å; H409-L411 WeakPolarHBondContact ND1-CB 3.33Å; H409-L411 PolarHBondContact ND1-N 2.95Å; H409-L411 VanDerWaalsContact ND1-N 3.14Å; H409-L411 PolarHBondContact O-N 3.42Å; H409-L411 VanDerWaalsContact O-N 3.14Å; H409-A465 HydrophobicContact CB-CB 4.4Å; H409-A465 WeakPolarHBondContact O-CB 3.41Å; H409-Y469 HydrophobicContact CB-CG 4.46Å; H409-Y469 AromaticContact CD2-CD1 3.65Å; H409-Y469 AromaticContact CD2-CD2 3.65Å; H409-Y469 AromaticContact CD2-CE1 3.94Å; H409-Y469 AromaticContact CD2-CE2 3.94Å; H409-Y469 AromaticContact CD2-CG 3.49Å; H409-Y469 VanDerWaalsContact CD2-CG 3.49Å; H409-Y469 AromaticContact CE1-CD2 3.34Å; H409-Y469 WeakPolarHBondContact CE1-CD2 3.48Å; H409-Y469 AromaticContact CE1-CE2 3.76Å; H409-Y469 AromaticContact CE1-CG 3.87Å; H409-Y469 AromaticContact CG-CD2 3.97Å; H409-Y469 AromaticContact CG-CG 3.67Å; H409-Y469 AromaticContact ND1-CD2 3.77Å; H409-Y469 AromaticContact ND1-CG 3.88Å; H409-Y469 AromaticContact NE2-CD2 3.26Å; H409-Y469 VanDerWaalsContact NE2-CD2 3.26Å; H409-Y469 WeakPolarHBondContact NE2-CD2 3.23Å; H409-Y469 AromaticContact NE2-CE2 3.32Å; H409-Y469 VanDerWaalsContact NE2-CE2 3.32Å; H409-Y469 WeakPolarHBondContact NE2-CE2 3.44Å; H409-Y469 AromaticContact NE2-CG 3.66Å; H409-Y469 AromaticContact NE2-CZ 3.76Å
410	P	96.1	Very high	96.8	Very high	41 Å²	41	10.9 Å²	10.9	27%	0.266	7%	0.071	S	C	.	.	G	3₁₀ helix	trans	-72.5	-2.3	-174.8	23.7	-29.2	0	0	0	114.7	F301 A385 T412 G413	F301-P410 HydrophobicContact CD2-CB 4.06Å; F301-P410 HydrophobicContact CD2-CG 3.49Å; F301-P410 VanDerWaalsContact CD2-CG 3.49Å; F301-P410 HydrophobicContact CE2-CB 3.73Å; F301-P410 HydrophobicContact CE2-CG 3.43Å; F301-P410 VanDerWaalsContact CE2-CG 3.43Å; A385-P410 HydrophobicContact CB-CG 3.99Å; P410-T412 PolarHBondContact O-N 3.19Å; P410-T412 VanDerWaalsContact O-N 3.14Å; P410-G413 PolarHBondContact O-N 2.9Å
411	L	95.3	Very high	96.9	Very high	12 Å²	12	12.4 Å²	12.4	6%	0.063	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-49.4	-39.1	179.4	176.1	68.6	0	0	0	113.5	L319 P326 L328 H409 L468 F472	L319-L411 HydrophobicContact CD1-CD1 4.22Å; P326-L411 HydrophobicContact CB-CD1 4.33Å; P326-L411 HydrophobicContact CG-CD1 3.93Å; L328-L411 HydrophobicContact CD1-CD1 4.28Å; L328-L411 HydrophobicContact CD2-CD1 4.18Å; L328-L411 HydrophobicContact CG-CD1 4.26Å; H409-L411 WeakPolarHBondContact ND1-CB 3.33Å; H409-L411 PolarHBondContact ND1-N 2.95Å; H409-L411 VanDerWaalsContact ND1-N 3.14Å; H409-L411 PolarHBondContact O-N 3.42Å; H409-L411 VanDerWaalsContact O-N 3.14Å; L411-L468 HydrophobicContact CD2-CB 4.44Å; L411-L468 HydrophobicContact CD2-CD2 4.44Å; L411-L468 HydrophobicContact CD2-CG 4.29Å; L411-F472 HydrophobicContact CD2-CD2 4.04Å
412	T	94.6	Very high	96.9	Very high	6 Å²	6	12.4 Å²	12.4	4%	0.037	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-93	-1.8	-177.2	57.2	0	0	0	0	113.7	Q164 P410 G414 L464 A465 L468 L504	Q164-T412 PolarHBondContact NE2-O 2.92Å; P410-T412 PolarHBondContact O-N 3.19Å; P410-T412 VanDerWaalsContact O-N 3.14Å; T412-G414 PolarHBondContact O-N 2.77Å; T412-G414 VanDerWaalsContact O-N 3.17Å; T412-L464 HydrophobicContact CG2-CG 4.42Å; T412-A465 HydrophobicContact CG2-CB 4.24Å; T412-A465 WeakPolarHBondContact OG1-CB 3.35Å; T412-L468 HydrophobicContact CG2-CD2 4.13Å; T412-L504 HydrophobicContact CG2-CD1 3.66Å
413	G	93.4	Very high	96.9	Very high	21 Å²	21	12 Å²	12	22%	0.216	8%	0.076	C	C	.	.			trans	62.9	20.2	178.8	0	0	0	0	0	115.5	P410	P410-G413 PolarHBondContact O-N 2.9Å
414	G	95.4	Very high	97	Very high	2 Å²	2	10.8 Å²	10.8	2%	0.021	7%	0.069	C	C	.	.			trans	-85.8	-7.1	-170.9	0	0	0	0	0	116.8	T412 M416 S417 V418	T412-G414 PolarHBondContact O-N 2.77Å; T412-G414 VanDerWaalsContact O-N 3.17Å; G414-M416 PolarHBondContact O-N 3.38Å; G414-S417 WeakPolarHBondContact O-CB 3.32Å; G414-S417 PolarHBondContact O-N 3.05Å; G414-V418 WeakPolarHBondContact O-CG2 3.46Å; G414-V418 PolarHBondContact O-N 3.4Å
415	G	97.1	Very high	97	Very high	19 Å²	19	11.7 Å²	11.7	20%	0.196	7%	0.074	C	C	.	.	H	α-helix	trans	-59.9	-46.8	-171.6	0	0	0	0	0	114.1	S417 V418 A419	G415-S417 VanDerWaalsContact C-N 3.35Å; G415-S417 PolarHBondContact O-N 3.39Å; G415-V418 PolarHBondContact O-N 3.35Å; G415-A419 PolarHBondContact O-N 3.24Å; G415-A419 VanDerWaalsContact O-N 3.07Å
416	M	98	Very high	97.1	Very high	15 Å²	15	11.7 Å²	11.7	7%	0.074	7%	0.074	C	C	.	.	H	α-helix	trans	-65.8	-38.4	177	-61.7	-168.2	-67.3	0	0	111.8	V129 G160 L162 L163 F219 F224 G414 V418 A419 L420	V129-M416 HydrophobicContact CG1-CB 4.36Å; V129-M416 HydrophobicContact CG1-CG 4.42Å; V129-M416 HydrophobicContact CG2-CG 4.12Å; V129-M416 HydrophobicContact CG2-SD 3.99Å; G160-M416 WeakPolarHBondContact O-CE 3.19Å; G160-M416 VanDerWaalsContact O-SD 3.41Å; L162-M416 WeakPolarHBondContact O-CE 3.29Å; L163-M416 HydrophobicContact CB-CE 4Å; L163-M416 HydrophobicContact CD1-CB 3.83Å; L163-M416 HydrophobicContact CD1-CE 4.17Å; F219-M416 HydrophobicContact CE2-CE 4.26Å; F219-M416 HydrophobicContact CZ-CE 4.06Å; F224-M416 HydrophobicContact CD1-SD 4.16Å; F224-M416 HydrophobicContact CE1-SD 3.87Å; G414-M416 PolarHBondContact O-N 3.38Å; M416-V418 VanDerWaalsContact C-N 3.34Å; M416-V418 PolarHBondContact O-N 2.93Å; M416-A419 PolarHBondContact O-N 3.17Å; M416-L420 WeakPolarHBondContact O-CG 3.28Å; M416-L420 PolarHBondContact O-N 3.21Å
417	S	98.1	Very high	97.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-42	176.6	-51.5	0	0	0	0	111.7	Q164 G167 G414 G415 L420 N421	Q164-S417 WeakPolarHBondContact CB-OG 3.33Å; G167-S417 WeakPolarHBondContact CA-OG 3.17Å; G414-S417 WeakPolarHBondContact O-CB 3.32Å; G414-S417 PolarHBondContact O-N 3.05Å; G415-S417 VanDerWaalsContact C-N 3.35Å; G415-S417 PolarHBondContact O-N 3.39Å; S417-L420 PolarHBondContact O-N 3.37Å; S417-N421 WeakPolarHBondContact O-CB 3.37Å; S417-N421 PolarHBondContact O-N 2.88Å; S417-N421 PolarHBondContact O-ND2 2.97Å
418	V	98.3	Very high	97.2	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.012	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-45.3	174.4	174.2	0	0	0	0	110.7	G414 G415 M416 L420 N421 D422 V461	G414-V418 WeakPolarHBondContact O-CG2 3.46Å; G414-V418 PolarHBondContact O-N 3.4Å; G415-V418 PolarHBondContact O-N 3.35Å; M416-V418 VanDerWaalsContact C-N 3.34Å; M416-V418 PolarHBondContact O-N 2.93Å; V418-L420 PolarHBondContact O-N 2.87Å; V418-N421 PolarHBondContact O-N 3.41Å; V418-D422 VanDerWaalsContact O-CB 3.3Å; V418-D422 WeakPolarHBondContact O-CB 3.19Å; V418-D422 VanDerWaalsContact O-CG 3.24Å; V418-D422 PolarHBondContact O-N 2.93Å; V418-V461 HydrophobicContact CG2-CB 3.84Å; V418-V461 HydrophobicContact CG2-CG1 3.73Å; V418-V461 HydrophobicContact CG2-CG2 4.07Å
419	A	98.4	Very high	97.3	Very high	7 Å²	7	16.9 Å²	16.9	6%	0.058	10%	0.103	C	C	.	.	H	α-helix	trans	-58.2	-46.7	178.7	0	0	0	0	0	112.3	V129 L130 G415 M416 D422 V423	V129-A419 HydrophobicContact CG1-CB 4.49Å; L130-A419 HydrophobicContact CB-CB 4.21Å; L130-A419 HydrophobicContact CD1-CB 4.17Å; G415-A419 PolarHBondContact O-N 3.24Å; G415-A419 VanDerWaalsContact O-N 3.07Å; M416-A419 PolarHBondContact O-N 3.17Å; A419-D422 PolarHBondContact O-N 2.83Å; A419-V423 WeakPolarHBondContact O-CG2 3.45Å; A419-V423 PolarHBondContact O-N 3.39Å
420	L	98.6	Very high	97.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69.4	-39.3	-179	-65.2	169.4	0	0	0	112.5	V129 A133 L163 G167 A170 L171 L174 M416 S417 V418 V423 L424	V129-L420 HydrophobicContact CG1-CD2 4.26Å; V129-L420 HydrophobicContact CG1-CG 4.36Å; A133-L420 HydrophobicContact CB-CD2 3.89Å; L163-L420 HydrophobicContact CD1-CD1 3.99Å; G167-L420 WeakPolarHBondContact O-CD1 3.41Å; A170-L420 HydrophobicContact CB-CB 3.89Å; L171-L420 HydrophobicContact CB-CD1 4.13Å; L171-L420 HydrophobicContact CD1-CD1 4.22Å; L171-L420 HydrophobicContact CD1-CD2 3.99Å; L174-L420 HydrophobicContact CD1-CB 4.35Å; L174-L420 HydrophobicContact CD1-CD2 3.93Å; M416-L420 WeakPolarHBondContact O-CG 3.28Å; M416-L420 PolarHBondContact O-N 3.21Å; S417-L420 PolarHBondContact O-N 3.37Å; V418-L420 PolarHBondContact O-N 2.87Å; L420-V423 PolarHBondContact O-N 3.34Å; L420-L424 PolarHBondContact O-N 2.96Å; L420-L424 VanDerWaalsContact O-N 3.09Å
421	N	98.4	Very high	97.3	Very high	35 Å²	35	21.5 Å²	21.5	19%	0.187	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-36.5	174.2	-78.3	-81.5	0	0	0	112	S417 V418 V423 L424 I425	S417-N421 WeakPolarHBondContact O-CB 3.37Å; S417-N421 PolarHBondContact O-N 2.88Å; S417-N421 PolarHBondContact O-ND2 2.97Å; V418-N421 PolarHBondContact O-N 3.41Å; N421-V423 VanDerWaalsContact C-N 3.29Å; N421-V423 PolarHBondContact O-N 3.17Å; N421-L424 WeakPolarHBondContact O-CB 3.37Å; N421-L424 PolarHBondContact O-N 3.36Å; N421-I425 PolarHBondContact O-N 3.24Å
422	D	98.4	Very high	97.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.011	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-37.8	173.3	-76.4	-11.1	0	0	0	110.8	V418 A419 I425 W426 F449 R453 H457	V418-D422 VanDerWaalsContact O-CB 3.3Å; V418-D422 WeakPolarHBondContact O-CB 3.19Å; V418-D422 VanDerWaalsContact O-CG 3.24Å; V418-D422 PolarHBondContact O-N 2.93Å; A419-D422 PolarHBondContact O-N 2.83Å; D422-I425 PolarHBondContact O-N 3.24Å; D422-W426 VanDerWaalsContact O-CD1 3.25Å; D422-W426 PolarHBondContact O-N 3.39Å; D422-F449 HydrophobicContact CB-CE2 3.79Å; D422-F449 HydrophobicContact CB-CZ 4.03Å; D422-R453 IonicContact OD1-NE 2.65Å; D422-R453 PolarHBondContact OD1-NE 3.37Å; D422-R453 IonicContact OD2-NE 2.69Å; D422-R453 IonicContact OD2-NH2 3.86Å; D422-H457 IonicContact OD1-CD2 2.89Å; D422-H457 IonicContact OD1-CE1 3.93Å; D422-H457 IonicContact OD1-NE2 3.46Å; D422-H457 PolarHBondContact OD1-NE2 3.44Å
423	V	98.6	Very high	97.3	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-64.8	-40.7	174.4	173.2	0	0	0	0	111.9	L130 M134 V137 L174 A419 L420 N421 I425 W426 R427	L130-V423 HydrophobicContact CD1-CG2 4.45Å; L130-V423 HydrophobicContact CG-CG2 3.94Å; M134-V423 HydrophobicContact CB-CG1 4.33Å; M134-V423 HydrophobicContact CB-CG2 4.05Å; V137-V423 HydrophobicContact CG2-CG1 3.66Å; L174-V423 HydrophobicContact CD1-CB 4.4Å; L174-V423 HydrophobicContact CD1-CG1 4.16Å; L174-V423 HydrophobicContact CD2-CG1 3.79Å; A419-V423 WeakPolarHBondContact O-CG2 3.45Å; A419-V423 PolarHBondContact O-N 3.39Å; L420-V423 PolarHBondContact O-N 3.34Å; N421-V423 VanDerWaalsContact C-N 3.29Å; N421-V423 PolarHBondContact O-N 3.17Å; V423-I425 VanDerWaalsContact C-N 3.33Å; V423-I425 PolarHBondContact O-N 3.45Å; V423-W426 PolarHBondContact O-N 3.45Å; V423-R427 VanDerWaalsContact O-CB 3.29Å; V423-R427 WeakPolarHBondContact O-CB 3.22Å; V423-R427 PolarHBondContact O-N 2.93Å
424	L	98.2	Very high	97.4	Very high	35 Å²	35	31.4 Å²	31.4	18%	0.183	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-45.1	175.5	-77.4	170.7	0	0	0	112	A170 E173 L174 L420 N421 S428	A170-L424 HydrophobicContact CB-CD1 3.64Å; E173-L424 HydrophobicContact CB-CD1 4.32Å; E173-L424 HydrophobicContact CB-CD2 3.94Å; L174-L424 HydrophobicContact CD2-CD2 3.45Å; L174-L424 VanDerWaalsContact CD2-CD2 3.45Å; L174-L424 HydrophobicContact CD2-CG 3.85Å; L174-L424 HydrophobicContact CG-CD2 3.75Å; L174-L424 HydrophobicContact CG-CG 4.03Å; L420-L424 PolarHBondContact O-N 2.96Å; L420-L424 VanDerWaalsContact O-N 3.09Å; N421-L424 WeakPolarHBondContact O-CB 3.37Å; N421-L424 PolarHBondContact O-N 3.36Å; L424-S428 PolarHBondContact O-N 3.38Å
425	I	98.2	Very high	97.4	Very high	19 Å²	19	35.6 Å²	35.6	10%	0.097	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-50.5	177.2	-63	171.8	0	0	0	110	N421 D422 V423 R427 S428 L429 F449 E452 R453	N421-I425 PolarHBondContact O-N 3.24Å; D422-I425 PolarHBondContact O-N 3.24Å; V423-I425 VanDerWaalsContact C-N 3.33Å; V423-I425 PolarHBondContact O-N 3.45Å; I425-R427 VanDerWaalsContact C-N 3.33Å; I425-R427 PolarHBondContact O-N 2.98Å; I425-S428 WeakPolarHBondContact O-CB 3.24Å; I425-S428 PolarHBondContact O-N 2.84Å; I425-S428 VanDerWaalsContact O-N 3.16Å; I425-L429 HydrophobicContact CG2-CD1 3.69Å; I425-L429 HydrophobicContact CG2-CG 4.2Å; I425-L429 VanDerWaalsContact O-CG 3.32Å; I425-L429 WeakPolarHBondContact O-CG 3.22Å; I425-L429 PolarHBondContact O-N 2.58Å; I425-F449 HydrophobicContact CB-CD2 4.08Å; I425-F449 HydrophobicContact CG2-CB 4.31Å; I425-F449 HydrophobicContact CG2-CD2 3.7Å; I425-E452 HydrophobicContact CD1-CB 3.99Å; I425-E452 WeakPolarHBondContact CG2-OE2 2.98Å; I425-R453 HydrophobicContact CD1-CB 4.25Å
426	W	98.3	Very high	97.4	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.015	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-38.5	-179	-84.8	112.6	0	0	0	113.4	M134 L399 L401 D422 V423 S428 L429 M430 M442 A445 K446 F449	M134-W426 HydrophobicContact CE-CB 4.13Å; M134-W426 HydrophobicContact CE-CG 4.44Å; L399-W426 HydrophobicContact CD1-CD2 4.02Å; L399-W426 HydrophobicContact CD1-CE3 3.95Å; L399-W426 HydrophobicContact CD1-CH2 4.02Å; L399-W426 HydrophobicContact CD1-CZ2 4.09Å; L399-W426 HydrophobicContact CD1-CZ3 3.95Å; L399-W426 HydrophobicContact CD2-CH2 3.55Å; L399-W426 HydrophobicContact CD2-CZ2 3.78Å; L399-W426 HydrophobicContact CD2-CZ3 4.15Å; L399-W426 HydrophobicContact CG-CH2 4.47Å; L401-W426 HydrophobicContact CD1-CG 4.32Å; D422-W426 VanDerWaalsContact O-CD1 3.25Å; D422-W426 PolarHBondContact O-N 3.39Å; V423-W426 PolarHBondContact O-N 3.45Å; W426-S428 PolarHBondContact O-N 3.41Å; W426-L429 HydrophobicContact CE3-CB 4.38Å; W426-L429 HydrophobicContact CE3-CD1 4.24Å; W426-L429 HydrophobicContact CZ3-CD1 4.37Å; W426-L429 PolarHBondContact O-N 2.99Å; W426-M430 HydrophobicContact CE3-CG 4.07Å; W426-M430 HydrophobicContact CE3-SD 4.37Å; W426-M430 WeakPolarHBondContact O-CB 3.4Å; W426-M430 WeakPolarHBondContact O-CG 3.42Å; W426-M430 PolarHBondContact O-N 2.86Å; W426-M442 HydrophobicContact CZ3-CE 4.35Å; W426-A445 HydrophobicContact CZ3-CB 3.99Å; W426-K446 HydrophobicContact CH2-CB 4.42Å; W426-K446 HydrophobicContact CH2-CG 3.75Å; W426-K446 HydrophobicContact CZ2-CG 4.38Å; W426-F449 AromaticContact CD1-CD2 3.63Å; W426-F449 AromaticContact CD1-CE2 3.47Å; W426-F449 VanDerWaalsContact CD1-CE2 3.47Å; W426-F449 HydrophobicContact CD2-CD2 4.36Å; W426-F449 HydrophobicContact CD2-CG 4.49Å; W426-F449 AromaticContact CE2-CD1 3.88Å; W426-F449 AromaticContact CE2-CD2 3.72Å; W426-F449 AromaticContact CE2-CG 3.59Å; W426-F449 HydrophobicContact CG-CD2 4.31Å; W426-F449 HydrophobicContact CG-CE2 4.5Å; W426-F449 HydrophobicContact CH2-CB 4.28Å; W426-F449 HydrophobicContact CZ2-CB 3.8Å; W426-F449 AromaticContact CZ2-CD1 3.69Å; W426-F449 HydrophobicContact CZ2-CD1 3.69Å; W426-F449 HydrophobicContact CZ2-CD2 4.26Å; W426-F449 HydrophobicContact CZ2-CE1 4.32Å; W426-F449 AromaticContact CZ2-CG 3.65Å; W426-F449 HydrophobicContact CZ2-CG 3.65Å; W426-F449 AromaticContact NE1-CD1 3.66Å; W426-F449 AromaticContact NE1-CD2 3.2Å; W426-F449 AromaticContact NE1-CE1 3.6Å; W426-F449 AromaticContact NE1-CE2 3.16Å; W426-F449 AromaticContact NE1-CG 3.46Å; W426-F449 AromaticContact NE1-CZ 3.36Å
427	R	97.8	Very high	97.2	Very high	60 Å²	60	40.9 Å²	40.9	23%	0.226	21%	0.209	C	C	.	.	H	α-helix	trans	-56.1	-50.8	173.1	-174.2	-170.4	-179.3	-179	0.7	111	V137 D141 V423 I425 L429 K431	V137-R427 HydrophobicContact CB-CG 4.38Å; V137-R427 HydrophobicContact CG2-CB 4.29Å; V137-R427 HydrophobicContact CG2-CG 4.22Å; D141-R427 IonicContact OD1-CZ 2.76Å; D141-R427 IonicContact OD1-NE 3.47Å; D141-R427 PolarHBondContact OD1-NE 2.84Å; D141-R427 IonicContact OD1-NH2 2.91Å; D141-R427 PolarHBondContact OD1-NH2 3.44Å; D141-R427 WeakPolarHBondContact OD2-CG 3.46Å; D141-R427 IonicContact OD2-CZ 3.71Å; D141-R427 IonicContact OD2-NE 3.19Å; D141-R427 PolarHBondContact OD2-NE 2.98Å; D141-R427 IonicContact OD2-NH2 3.25Å; V423-R427 VanDerWaalsContact O-CB 3.29Å; V423-R427 WeakPolarHBondContact O-CB 3.22Å; V423-R427 PolarHBondContact O-N 2.93Å; I425-R427 VanDerWaalsContact C-N 3.33Å; I425-R427 PolarHBondContact O-N 2.98Å; R427-L429 VanDerWaalsContact C-N 3.33Å; R427-L429 PolarHBondContact O-N 3Å; R427-K431 VanDerWaalsContact O-CB 3.27Å; R427-K431 WeakPolarHBondContact O-CB 3.43Å; R427-K431 PolarHBondContact O-N 3.18Å
428	S	97.6	Very high	97.1	Very high	63 Å²	63	44.3 Å²	44.3	44%	0.441	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-41	178.3	-177.5	0	0	0	0	112.4	L424 I425 W426 N432	L424-S428 PolarHBondContact O-N 3.38Å; I425-S428 WeakPolarHBondContact O-CB 3.24Å; I425-S428 PolarHBondContact O-N 2.84Å; I425-S428 VanDerWaalsContact O-N 3.16Å; W426-S428 PolarHBondContact O-N 3.41Å; S428-N432 PolarHBondContact O-ND2 3.39Å
429	L	97.7	Very high	96.8	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.052	25%	0.246	C	C	.	.	H	α-helix	trans	-70	-50.4	179.6	-64.8	172.8	0	0	0	112.5	I425 W426 R427 K431 N432 A445 K448 F449	I425-L429 HydrophobicContact CG2-CD1 3.69Å; I425-L429 HydrophobicContact CG2-CG 4.2Å; I425-L429 VanDerWaalsContact O-CG 3.32Å; I425-L429 WeakPolarHBondContact O-CG 3.22Å; I425-L429 PolarHBondContact O-N 2.58Å; W426-L429 HydrophobicContact CE3-CB 4.38Å; W426-L429 HydrophobicContact CE3-CD1 4.24Å; W426-L429 HydrophobicContact CZ3-CD1 4.37Å; W426-L429 PolarHBondContact O-N 2.99Å; R427-L429 VanDerWaalsContact C-N 3.33Å; R427-L429 PolarHBondContact O-N 3Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 3.32Å; L429-N432 PolarHBondContact O-N 3.38Å; L429-N432 VanDerWaalsContact O-N 3.15Å; L429-A445 HydrophobicContact CB-CB 4.08Å; L429-A445 HydrophobicContact CD1-CB 4.26Å; L429-A445 WeakPolarHBondContact CD1-O 3.19Å; L429-K448 HydrophobicContact CD2-CB 4.04Å; L429-K448 HydrophobicContact CD2-CD 3.52Å; L429-K448 HydrophobicContact CD2-CG 3.82Å; L429-F449 HydrophobicContact CD1-CB 3.72Å
430	M	97	Very high	96.6	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-70.8	-24.5	-175.9	-68.2	-178.2	75.8	0	0	113.2	V122 M134 L138 R143 W426 N432 I433 L436	V122-M430 HydrophobicContact CG2-CE 3.94Å; M134-M430 HydrophobicContact CE-SD 3.84Å; L138-M430 HydrophobicContact CD1-CE 4.32Å; L138-M430 HydrophobicContact CD1-SD 4.23Å; L138-M430 HydrophobicContact CD2-CB 4.27Å; L138-M430 HydrophobicContact CD2-CE 4.4Å; L138-M430 HydrophobicContact CD2-SD 3.94Å; R143-M430 PolarHBondContact NH2-O 3.31Å; W426-M430 HydrophobicContact CE3-CG 4.07Å; W426-M430 HydrophobicContact CE3-SD 4.37Å; W426-M430 WeakPolarHBondContact O-CB 3.4Å; W426-M430 WeakPolarHBondContact O-CG 3.42Å; W426-M430 PolarHBondContact O-N 2.86Å; M430-N432 PolarHBondContact O-N 2.89Å; M430-I433 PolarHBondContact O-N 3.45Å; M430-L436 HydrophobicContact CE-CD1 3.62Å; M430-L436 HydrophobicContact CE-CD2 3.78Å; M430-L436 HydrophobicContact CE-CG 4.39Å
431	K	95.3	Very high	96.5	Very high	138 Å²	138	52.8 Å²	52.8	60%	0.6	28%	0.278	S	S	*	.	H	α-helix	trans	-62.6	-27.5	172.2	-172.8	169.2	-176.4	168	0	112.6	R427 L429	R427-K431 VanDerWaalsContact O-CB 3.27Å; R427-K431 WeakPolarHBondContact O-CB 3.43Å; R427-K431 PolarHBondContact O-N 3.18Å; L429-K431 VanDerWaalsContact C-N 3.3Å; L429-K431 PolarHBondContact O-N 3.32Å
432	N	94.7	Very high	96.4	Very high	121 Å²	121	51.7 Å²	51.7	65%	0.647	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	4.7	180	-66.3	-55.2	0	0	0	113.8	S428 L429 M430	S428-N432 PolarHBondContact O-ND2 3.39Å; L429-N432 PolarHBondContact O-N 3.38Å; L429-N432 VanDerWaalsContact O-N 3.15Å; M430-N432 PolarHBondContact O-N 2.89Å
433	I	96.9	Very high	96.2	Very high	14 Å²	14	54.2 Å²	54.2	7%	0.072	29%	0.285	C	S	.	.			trans	-121.8	85.5	-177.9	-58.2	175.3	0	0	0	108.3	R143 M430 D435 L436 A441 M442 A445	R143-I433 PolarHBondContact NH2-O 2.98Å; M430-I433 PolarHBondContact O-N 3.45Å; I433-D435 VanDerWaalsContact C-N 3.33Å; I433-D435 VanDerWaalsContact CG2-O 3.26Å; I433-D435 WeakPolarHBondContact CG2-O 3.35Å; I433-D435 PolarHBondContact O-N 3.12Å; I433-L436 HydrophobicContact CB-CD2 4.34Å; I433-L436 HydrophobicContact CG2-CD2 4.12Å; I433-A441 HydrophobicContact CD1-CB 4.13Å; I433-A441 HydrophobicContact CG1-CB 4.17Å; I433-A441 HydrophobicContact CG2-CB 3.95Å; I433-M442 HydrophobicContact CD1-SD 3.83Å; I433-M442 HydrophobicContact CG2-SD 4.36Å; I433-A445 HydrophobicContact CD1-CB 3.75Å
434	P	94.2	Very high	96	Very high	112 Å²	112	60.3 Å²	60.3	73%	0.727	31%	0.314	S	S	*	.	S	Bend	trans	-56.8	-45.4	-174.7	-25.8	34.7	0	0	0	113	R143	R143-P434 PolarHBondContact NH1-O 3.49Å
435	D	96.1	Very high	95.9	Very high	90 Å²	90	59 Å²	59	48%	0.481	31%	0.307	S	S	.	.			trans	-100.7	110.6	176.3	-178.7	11.2	0	0	0	110.8	I433 Y437 D438	I433-D435 VanDerWaalsContact C-N 3.33Å; I433-D435 VanDerWaalsContact CG2-O 3.26Å; I433-D435 WeakPolarHBondContact CG2-O 3.35Å; I433-D435 PolarHBondContact O-N 3.12Å; D435-Y437 PolarHBondContact O-N 3.12Å; D435-Y437 WeakPolarHBondContact OD1-CB 3.08Å; D435-Y437 WeakPolarHBondContact OD1-CD2 3.18Å; D435-Y437 PolarHBondContact OD1-N 3.29Å; D435-D438 PolarHBondContact O-N 3.49Å
436	L	96.4	Very high	95.8	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10	-179.9	-64.1	-178.4	0	0	0	113.1	D121 V122 A274 V275 M430 I433 D438 M442	D121-L436 HydrophobicContact CB-CD1 4.35Å; V122-L436 HydrophobicContact CG2-CD1 3.6Å; A274-L436 HydrophobicContact CB-CB 3.62Å; V275-L436 HydrophobicContact CG2-CB 3.98Å; V275-L436 HydrophobicContact CG2-CD1 4.42Å; M430-L436 HydrophobicContact CE-CD1 3.62Å; M430-L436 HydrophobicContact CE-CD2 3.78Å; M430-L436 HydrophobicContact CE-CG 4.39Å; I433-L436 HydrophobicContact CB-CD2 4.34Å; I433-L436 HydrophobicContact CG2-CD2 4.12Å; L436-D438 PolarHBondContact O-N 2.91Å; L436-M442 HydrophobicContact CD2-SD 3.93Å
437	Y	95.1	Very high	95.6	Very high	141 Å²	141	62.3 Å²	62.3	55%	0.553	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.5	170.5	-69.7	-82.6	0	0	0	112.7	A274 D435 N439	A274-Y437 HydrophobicContact CB-CD1 4.01Å; A274-Y437 HydrophobicContact CB-CD2 3.72Å; A274-Y437 HydrophobicContact CB-CE1 3.93Å; A274-Y437 HydrophobicContact CB-CE2 3.62Å; A274-Y437 HydrophobicContact CB-CG 3.91Å; D435-Y437 PolarHBondContact O-N 3.12Å; D435-Y437 WeakPolarHBondContact OD1-CB 3.08Å; D435-Y437 WeakPolarHBondContact OD1-CD2 3.18Å; D435-Y437 PolarHBondContact OD1-N 3.29Å; Y437-N439 VanDerWaalsContact C-N 3.33Å; Y437-N439 PolarHBondContact O-N 2.79Å
438	D	96	Very high	95.5	Very high	72 Å²	72	64.4 Å²	64.4	39%	0.385	33%	0.332	S	S	.	.			trans	-70.2	89.5	171.9	-174.2	-12.2	0	0	0	111	D435 L436 T440 A441 M442	D435-D438 PolarHBondContact O-N 3.49Å; L436-D438 PolarHBondContact O-N 2.91Å; D438-T440 PolarHBondContact O-N 2.77Å; D438-T440 WeakPolarHBondContact OD1-CA 3.29Å; D438-T440 WeakPolarHBondContact OD1-CB 3.48Å; D438-T440 PolarHBondContact OD1-N 3.37Å; D438-A441 HydrophobicContact CB-CB 3.98Å; D438-A441 PolarHBondContact O-N 2.89Å; D438-A441 PolarHBondContact OD1-N 3.39Å; D438-A441 WeakPolarHBondContact OD2-CB 3.35Å; D438-M442 WeakPolarHBondContact O-CG 3.33Å; D438-M442 PolarHBondContact O-N 3.09Å
439	N	91.6	Very high	95.4	Very high	76 Å²	76	61.6 Å²	61.6	41%	0.406	31%	0.312	S	S	.	.	H	α-helix	trans	-58.3	-27.9	177.2	-77.2	-47.1	0	0	0	113.2	P396 Y437 L443	P396-N439 WeakPolarHBondContact CB-OD1 3.29Å; Y437-N439 VanDerWaalsContact C-N 3.33Å; Y437-N439 PolarHBondContact O-N 2.79Å; N439-L443 VanDerWaalsContact O-CB 3.26Å; N439-L443 WeakPolarHBondContact O-CB 3.38Å; N439-L443 PolarHBondContact O-N 2.95Å
440	T	94.3	Very high	95.2	Very high	92 Å²	92	61.6 Å²	61.6	56%	0.564	31%	0.312	S	S	*	.	H	α-helix	trans	-73.8	-47.6	179.2	-54.6	0	0	0	0	110.1	D438 M442 L443 Q444	D438-T440 PolarHBondContact O-N 2.77Å; D438-T440 WeakPolarHBondContact OD1-CA 3.29Å; D438-T440 WeakPolarHBondContact OD1-CB 3.48Å; D438-T440 PolarHBondContact OD1-N 3.37Å; T440-M442 VanDerWaalsContact C-N 3.34Å; T440-L443 PolarHBondContact O-N 2.82Å; T440-Q444 WeakPolarHBondContact O-CG 3.49Å; T440-Q444 PolarHBondContact O-N 2.67Å
441	A	96	Very high	95	Very high	19 Å²	19	69.1 Å²	69.1	16%	0.157	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-43.1	174.9	0	0	0	0	0	111.3	I433 D438 L443 Q444 A445	I433-A441 HydrophobicContact CD1-CB 4.13Å; I433-A441 HydrophobicContact CG1-CB 4.17Å; I433-A441 HydrophobicContact CG2-CB 3.95Å; D438-A441 HydrophobicContact CB-CB 3.98Å; D438-A441 PolarHBondContact O-N 2.89Å; D438-A441 PolarHBondContact OD1-N 3.39Å; D438-A441 WeakPolarHBondContact OD2-CB 3.35Å; A441-L443 PolarHBondContact O-N 3.28Å; A441-Q444 PolarHBondContact O-N 3.15Å; A441-A445 PolarHBondContact O-N 2.9Å
442	M	96.2	Very high	95	Very high	11 Å²	11	65.7 Å²	65.7	5%	0.054	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-38.8	176.7	-73.6	-57.2	-61.6	0	0	112.6	V275 L399 W426 I433 L436 D438 T440 A445 K446	V275-M442 HydrophobicContact CG1-CE 4.49Å; V275-M442 HydrophobicContact CG2-CE 3.89Å; V275-M442 HydrophobicContact CG2-SD 4.45Å; L399-M442 HydrophobicContact CD2-CE 4.37Å; W426-M442 HydrophobicContact CZ3-CE 4.35Å; I433-M442 HydrophobicContact CD1-SD 3.83Å; I433-M442 HydrophobicContact CG2-SD 4.36Å; L436-M442 HydrophobicContact CD2-SD 3.93Å; D438-M442 WeakPolarHBondContact O-CG 3.33Å; D438-M442 PolarHBondContact O-N 3.09Å; T440-M442 VanDerWaalsContact C-N 3.34Å; M442-A445 PolarHBondContact O-N 3.45Å; M442-K446 WeakPolarHBondContact O-CG 3.43Å; M442-K446 PolarHBondContact O-N 3.3Å
443	L	94.5	Very high	95	Very high	55 Å²	55	59.9 Å²	59.9	29%	0.288	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-40.7	174	-178	62.3	0	0	0	111.9	N439 T440 A441 K446 K447 V568	N439-L443 VanDerWaalsContact O-CB 3.26Å; N439-L443 WeakPolarHBondContact O-CB 3.38Å; N439-L443 PolarHBondContact O-N 2.95Å; T440-L443 PolarHBondContact O-N 2.82Å; A441-L443 PolarHBondContact O-N 3.28Å; L443-K446 WeakPolarHBondContact O-CB 3.4Å; L443-K446 PolarHBondContact O-N 3Å; L443-K447 WeakPolarHBondContact O-CG 3.37Å; L443-K447 PolarHBondContact O-N 2.9Å; L443-V568 HydrophobicContact CD1-CG1 4.43Å
444	Q	94.9	Very high	94.7	Very high	130 Å²	130	59.8 Å²	59.8	61%	0.607	29%	0.294	S	S	*	.	H	α-helix	trans	-63.4	-40.9	174.2	-70.8	180	5.1	0	0	111.7	T440 A441 K447 K448	T440-Q444 WeakPolarHBondContact O-CG 3.49Å; T440-Q444 PolarHBondContact O-N 2.67Å; A441-Q444 PolarHBondContact O-N 3.15Å; Q444-K447 WeakPolarHBondContact O-CB 3.06Å; Q444-K447 PolarHBondContact O-N 2.97Å; Q444-K448 PolarHBondContact O-N 3.16Å
445	A	96.4	Very high	94.6	Very high	6 Å²	6	57.6 Å²	57.6	5%	0.05	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-44.6	173.3	0	0	0	0	0	111.8	W426 L429 I433 A441 M442 K447 K448 F449	W426-A445 HydrophobicContact CZ3-CB 3.99Å; L429-A445 HydrophobicContact CB-CB 4.08Å; L429-A445 HydrophobicContact CD1-CB 4.26Å; L429-A445 WeakPolarHBondContact CD1-O 3.19Å; I433-A445 HydrophobicContact CD1-CB 3.75Å; A441-A445 PolarHBondContact O-N 2.9Å; M442-A445 PolarHBondContact O-N 3.45Å; A445-K447 VanDerWaalsContact C-N 3.33Å; A445-K447 PolarHBondContact O-N 3.38Å; A445-K448 PolarHBondContact O-N 3.47Å; A445-F449 WeakPolarHBondContact O-CB 3.4Å; A445-F449 PolarHBondContact O-N 2.74Å
446	K	95.5	Very high	94.5	Very high	13 Å²	13	54.8 Å²	54.8	6%	0.057	27%	0.269	C	S	.	.	H	α-helix	trans	-55.2	-48.1	173.2	-72.8	173.6	174.4	-169.3	0	111.2	V393 K395 V398 L399 W426 M442 L443 K448 F449 H450	V393-K446 WeakPolarHBondContact O-CD 3.49Å; V393-K446 PolarHBondContact O-NZ 3.1Å; K395-K446 PolarHBondContact O-NZ 3.4Å; V398-K446 WeakPolarHBondContact O-CE 3.42Å; V398-K446 PolarHBondContact O-NZ 3.17Å; L399-K446 HydrophobicContact CD2-CD 4.43Å; L399-K446 VanDerWaalsContact CD2-CE 3.42Å; L399-K446 HydrophobicContact CD2-CG 4.14Å; W426-K446 HydrophobicContact CH2-CB 4.42Å; W426-K446 HydrophobicContact CH2-CG 3.75Å; W426-K446 HydrophobicContact CZ2-CG 4.38Å; M442-K446 WeakPolarHBondContact O-CG 3.43Å; M442-K446 PolarHBondContact O-N 3.3Å; L443-K446 WeakPolarHBondContact O-CB 3.4Å; L443-K446 PolarHBondContact O-N 3Å; K446-K448 VanDerWaalsContact C-N 3.35Å; K446-K448 PolarHBondContact O-N 3.17Å; K446-F449 PolarHBondContact O-N 3.13Å; K446-H450 WeakPolarHBondContact O-CB 3.37Å; K446-H450 PolarHBondContact O-CD2 3.27Å; K446-H450 PolarHBondContact O-N 2.77Å
447	K	94.1	Very high	94.4	Very high	81 Å²	81	54.9 Å²	54.9	35%	0.352	27%	0.269	S	S	.	.	H	α-helix	trans	-56.5	-47.8	177.1	-72.8	175.3	177	-176.6	0	111.7	L443 Q444 A445 H450 W451 V568 Y569	L443-K447 WeakPolarHBondContact O-CG 3.37Å; L443-K447 PolarHBondContact O-N 2.9Å; Q444-K447 WeakPolarHBondContact O-CB 3.06Å; Q444-K447 PolarHBondContact O-N 2.97Å; A445-K447 VanDerWaalsContact C-N 3.33Å; A445-K447 PolarHBondContact O-N 3.38Å; K447-H450 PolarHBondContact O-N 2.7Å; K447-W451 PolarHBondContact O-N 3.15Å; K447-W451 VanDerWaalsContact O-N 3.15Å; K447-V568 HydrophobicContact CD-CG1 4.49Å; K447-V568 WeakPolarHBondContact CE-O 3.29Å; K447-V568 HydrophobicContact CG-CB 3.75Å; K447-V568 HydrophobicContact CG-CG1 3.49Å; K447-V568 VanDerWaalsContact CG-CG1 3.49Å; K447-Y569 VanDerWaalsContact CE-OXT 3.24Å; K447-Y569 WeakPolarHBondContact CE-OXT 3.39Å; K447-Y569 PolarHBondContact NZ-OXT 3.23Å
448	K	95.3	Very high	94.4	Very high	103 Å²	103	48.2 Å²	48.2	45%	0.448	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-46.2	179.4	-173.3	167.1	166.2	-175.8	0	112.2	L429 Q444 A445 K446 H450 W451 E452	L429-K448 HydrophobicContact CD2-CB 4.04Å; L429-K448 HydrophobicContact CD2-CD 3.52Å; L429-K448 HydrophobicContact CD2-CG 3.82Å; Q444-K448 PolarHBondContact O-N 3.16Å; A445-K448 PolarHBondContact O-N 3.47Å; K446-K448 VanDerWaalsContact C-N 3.35Å; K446-K448 PolarHBondContact O-N 3.17Å; K448-H450 VanDerWaalsContact C-N 3.31Å; K448-H450 PolarHBondContact O-N 3.41Å; K448-W451 PolarHBondContact O-N 3.33Å; K448-W451 VanDerWaalsContact O-N 3.11Å; K448-E452 WeakPolarHBondContact CE-OE1 3.37Å; K448-E452 HydrophobicContact CG-CG 4.33Å; K448-E452 WeakPolarHBondContact CG-OE1 3.38Å; K448-E452 IonicContact NZ-OE1 3.24Å; K448-E452 WeakPolarHBondContact O-CG 3.29Å; K448-E452 PolarHBondContact O-N 3.42Å
449	F	96	Very high	94.3	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-53.2	-48.6	173.9	168.6	-106.6	0	0	0	111.7	L401 Y405 D422 I425 W426 L429 A445 K446 W451 E452 R453	L401-F449 HydrophobicContact CD2-CE1 4.07Å; L401-F449 HydrophobicContact CD2-CZ 3.87Å; Y405-F449 HydrophobicContact CE1-CE1 4.43Å; D422-F449 HydrophobicContact CB-CE2 3.79Å; D422-F449 HydrophobicContact CB-CZ 4.03Å; I425-F449 HydrophobicContact CB-CD2 4.08Å; I425-F449 HydrophobicContact CG2-CB 4.31Å; I425-F449 HydrophobicContact CG2-CD2 3.7Å; W426-F449 AromaticContact CD1-CD2 3.63Å; W426-F449 AromaticContact CD1-CE2 3.47Å; W426-F449 VanDerWaalsContact CD1-CE2 3.47Å; W426-F449 HydrophobicContact CD2-CD2 4.36Å; W426-F449 HydrophobicContact CD2-CG 4.49Å; W426-F449 AromaticContact CE2-CD1 3.88Å; W426-F449 AromaticContact CE2-CD2 3.72Å; W426-F449 AromaticContact CE2-CG 3.59Å; W426-F449 HydrophobicContact CG-CD2 4.31Å; W426-F449 HydrophobicContact CG-CE2 4.5Å; W426-F449 HydrophobicContact CH2-CB 4.28Å; W426-F449 HydrophobicContact CZ2-CB 3.8Å; W426-F449 AromaticContact CZ2-CD1 3.69Å; W426-F449 HydrophobicContact CZ2-CD1 3.69Å; W426-F449 HydrophobicContact CZ2-CD2 4.26Å; W426-F449 HydrophobicContact CZ2-CE1 4.32Å; W426-F449 AromaticContact CZ2-CG 3.65Å; W426-F449 HydrophobicContact CZ2-CG 3.65Å; W426-F449 AromaticContact NE1-CD1 3.66Å; W426-F449 AromaticContact NE1-CD2 3.2Å; W426-F449 AromaticContact NE1-CE1 3.6Å; W426-F449 AromaticContact NE1-CE2 3.16Å; W426-F449 AromaticContact NE1-CG 3.46Å; W426-F449 AromaticContact NE1-CZ 3.36Å; L429-F449 HydrophobicContact CD1-CB 3.72Å; A445-F449 WeakPolarHBondContact O-CB 3.4Å; A445-F449 PolarHBondContact O-N 2.74Å; K446-F449 PolarHBondContact O-N 3.13Å; F449-W451 VanDerWaalsContact C-N 3.3Å; F449-W451 PolarHBondContact O-N 3.19Å; F449-E452 PolarHBondContact O-N 3.21Å; F449-R453 VanDerWaalsContact CE1-CD 3.42Å; F449-R453 VanDerWaalsContact CZ-CD 3.46Å; F449-R453 WeakPolarHBondContact O-CD 3.14Å; F449-R453 WeakPolarHBondContact O-CG 2.82Å; F449-R453 PolarHBondContact O-N 3.12Å; F449-R453 VanDerWaalsContact O-N 3.11Å
450	H	92.6	Very high	94.6	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-37.4	179.2	-89.7	-82.4	0	0	0	113.1	S391 Y405 K446 K447 K448 K454 V568	S391-H450 PolarHBondContact O-CE1 3.34Å; Y405-H450 PolarHBondContact OH-CE1 2.84Å; Y405-H450 PolarHBondContact OH-ND1 3.04Å; K446-H450 WeakPolarHBondContact O-CB 3.37Å; K446-H450 PolarHBondContact O-CD2 3.27Å; K446-H450 PolarHBondContact O-N 2.77Å; K447-H450 PolarHBondContact O-N 2.7Å; K448-H450 VanDerWaalsContact C-N 3.31Å; K448-H450 PolarHBondContact O-N 3.41Å; H450-K454 WeakPolarHBondContact O-CB 3.45Å; H450-K454 VanDerWaalsContact O-CD 3.28Å; H450-K454 WeakPolarHBondContact O-CD 3.34Å; H450-K454 WeakPolarHBondContact O-CG 3.32Å; H450-K454 PolarHBondContact O-N 3.26Å; H450-V568 HydrophobicContact CB-CG2 3.6Å; H450-V568 WeakPolarHBondContact CD2-CG2 3.42Å
451	W	92.9	Very high	94.7	Very high	159 Å²	159	37 Å²	37	60%	0.602	18%	0.18	S	C	*	.	H	α-helix	trans	-74.6	-48.5	178.9	-165	-114.5	0	0	0	111.9	K447 K448 F449 R453 K454 S455	K447-W451 PolarHBondContact O-N 3.15Å; K447-W451 VanDerWaalsContact O-N 3.15Å; K448-W451 PolarHBondContact O-N 3.33Å; K448-W451 VanDerWaalsContact O-N 3.11Å; F449-W451 VanDerWaalsContact C-N 3.3Å; F449-W451 PolarHBondContact O-N 3.19Å; W451-R453 PolarHBondContact O-N 2.92Å; W451-K454 PolarHBondContact O-N 3.34Å; W451-S455 PolarHBondContact O-N 3.4Å; W451-S455 PolarHBondContact O-OG 3.34Å
452	E	94.9	Very high	94.7	Very high	65 Å²	65	36.2 Å²	36.2	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-60.2	-42.5	-177.9	-73.5	-175.2	-171.9	0	0	112.7	I425 K448 F449 S455 S456	I425-E452 HydrophobicContact CD1-CB 3.99Å; I425-E452 WeakPolarHBondContact CG2-OE2 2.98Å; K448-E452 WeakPolarHBondContact CE-OE1 3.37Å; K448-E452 HydrophobicContact CG-CG 4.33Å; K448-E452 WeakPolarHBondContact CG-OE1 3.38Å; K448-E452 IonicContact NZ-OE1 3.24Å; K448-E452 WeakPolarHBondContact O-CG 3.29Å; K448-E452 PolarHBondContact O-N 3.42Å; F449-E452 PolarHBondContact O-N 3.21Å; E452-S455 PolarHBondContact O-OG 3.35Å; E452-S455 VanDerWaalsContact O-OG 3.05Å; E452-S456 PolarHBondContact O-OG 2.83Å
453	R	94.7	Very high	94.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.3	-36.2	177.8	72.7	-168.7	-64.8	-76.4	-3.4	112.8	N406 D422 I425 F449 W451 S456 H457 S458	N406-R453 PolarHBondContact OD1-NH2 2.99Å; D422-R453 IonicContact OD1-NE 2.65Å; D422-R453 PolarHBondContact OD1-NE 3.37Å; D422-R453 IonicContact OD2-NE 2.69Å; D422-R453 IonicContact OD2-NH2 3.86Å; I425-R453 HydrophobicContact CD1-CB 4.25Å; F449-R453 VanDerWaalsContact CE1-CD 3.42Å; F449-R453 VanDerWaalsContact CZ-CD 3.46Å; F449-R453 WeakPolarHBondContact O-CD 3.14Å; F449-R453 WeakPolarHBondContact O-CG 2.82Å; F449-R453 PolarHBondContact O-N 3.12Å; F449-R453 VanDerWaalsContact O-N 3.11Å; W451-R453 PolarHBondContact O-N 2.92Å; R453-S456 CarbonylContact O-C 3.51Å; R453-S456 PolarHBondContact O-N 3.07Å; R453-H457 PolarHBondContact O-N 3.48Å; R453-S458 VanDerWaalsContact CZ-OG 3.27Å; R453-S458 PolarHBondContact NH1-OG 3.32Å; R453-S458 PolarHBondContact NH2-OG 3.35Å; R453-S458 WeakPolarHBondContact O-CB 3.44Å; R453-S458 PolarHBondContact O-N 3.01Å
454	K	91.6	Very high	94.8	Very high	11 Å²	11	34.3 Å²	34.3	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-73.5	-31.4	-178.5	-76.6	178.4	-173.5	-153.8	0	112.2	H450 W451 S456 F459 E563 Y566	H450-K454 WeakPolarHBondContact O-CB 3.45Å; H450-K454 VanDerWaalsContact O-CD 3.28Å; H450-K454 WeakPolarHBondContact O-CD 3.34Å; H450-K454 WeakPolarHBondContact O-CG 3.32Å; H450-K454 PolarHBondContact O-N 3.26Å; W451-K454 PolarHBondContact O-N 3.34Å; K454-S456 PolarHBondContact O-N 3.44Å; K454-F459 WeakPolarHBondContact O-CB 3.42Å; K454-E563 VanDerWaalsContact CD-O 3.29Å; K454-E563 WeakPolarHBondContact CD-O 3.24Å; K454-E563 WeakPolarHBondContact CE-O 3.48Å; K454-E563 PolarHBondContact NZ-O 3.27Å; K454-Y566 PolarHBondContact NZ-O 3.02Å
455	S	91.3	Very high	94.9	Very high	67 Å²	67	28.1 Å²	28.1	47%	0.469	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-2.5	174.8	59.8	0	0	0	0	113.5	W451 E452	W451-S455 PolarHBondContact O-N 3.4Å; W451-S455 PolarHBondContact O-OG 3.34Å; E452-S455 PolarHBondContact O-OG 3.35Å; E452-S455 VanDerWaalsContact O-OG 3.05Å
456	S	93.4	Very high	94.8	Very high	31 Å²	31	28.1 Å²	28.1	22%	0.217	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.8	-113.1	-173.6	64.5	0	0	0	0	113	E452 R453 K454 V460	E452-S456 PolarHBondContact O-OG 2.83Å; R453-S456 CarbonylContact O-C 3.51Å; R453-S456 PolarHBondContact O-N 3.07Å; K454-S456 PolarHBondContact O-N 3.44Å; S456-V460 PolarHBondContact O-N 3.23Å
457	H	95.7	Very high	94.8	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.028	13%	0.132	C	C	.	.	H	α-helix	trans	-71.3	-36	-166.1	61.6	-78.3	0	0	0	114.3	D422 R453 F459 V461 V506 P509	D422-H457 IonicContact OD1-CD2 2.89Å; D422-H457 IonicContact OD1-CE1 3.93Å; D422-H457 IonicContact OD1-NE2 3.46Å; D422-H457 PolarHBondContact OD1-NE2 3.44Å; R453-H457 PolarHBondContact O-N 3.48Å; H457-F459 PolarHBondContact O-N 3.08Å; H457-V461 VanDerWaalsContact O-CB 3.26Å; H457-V461 WeakPolarHBondContact O-CB 3.33Å; H457-V461 VanDerWaalsContact O-CG2 3.22Å; H457-V461 WeakPolarHBondContact O-CG2 3.24Å; H457-V461 PolarHBondContact O-N 3.4Å; H457-V506 HydrophobicContact CB-CG1 3.92Å; H457-P509 HydrophobicContact CB-CB 4.46Å; H457-P509 HydrophobicContact CB-CG 4.45Å
458	S	94.1	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-50.7	-180	-179.7	0	0	0	0	110.4	R453 N462 E563	R453-S458 VanDerWaalsContact CZ-OG 3.27Å; R453-S458 PolarHBondContact NH1-OG 3.32Å; R453-S458 PolarHBondContact NH2-OG 3.35Å; R453-S458 WeakPolarHBondContact O-CB 3.44Å; R453-S458 PolarHBondContact O-N 3.01Å; S458-N462 WeakPolarHBondContact O-CB 3.39Å; S458-N462 PolarHBondContact O-N 2.84Å; S458-N462 PolarHBondContact O-ND2 3.24Å; S458-N462 PolarHBondContact OG-ND2 2.69Å; S458-E563 PolarHBondContact OG-OE2 2.8Å
459	F	95.3	Very high	94.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-60.8	-53.3	-177.8	179.4	-82.1	0	0	0	110.8	K454 H457 V463 P511 L514 I515 I560 E563 F564	K454-F459 WeakPolarHBondContact O-CB 3.42Å; H457-F459 PolarHBondContact O-N 3.08Å; F459-V463 HydrophobicContact CD1-CG2 4.41Å; F459-V463 HydrophobicContact CD2-CG2 4.25Å; F459-V463 HydrophobicContact CE1-CG2 4.33Å; F459-V463 HydrophobicContact CE2-CG2 4.14Å; F459-V463 HydrophobicContact CG-CG2 4.38Å; F459-V463 HydrophobicContact CZ-CG2 4.21Å; F459-V463 VanDerWaalsContact O-CB 3.24Å; F459-V463 WeakPolarHBondContact O-CB 3.38Å; F459-V463 WeakPolarHBondContact O-CG2 3.38Å; F459-V463 PolarHBondContact O-N 3.05Å; F459-P511 HydrophobicContact CB-CG 4.27Å; F459-P511 HydrophobicContact CD1-CB 3.46Å; F459-P511 VanDerWaalsContact CD1-CB 3.46Å; F459-P511 HydrophobicContact CD1-CG 3.7Å; F459-P511 HydrophobicContact CE1-CB 3.51Å; F459-P511 HydrophobicContact CE1-CG 4.28Å; F459-P511 HydrophobicContact CG-CB 4.12Å; F459-P511 HydrophobicContact CG-CG 4.05Å; F459-P511 HydrophobicContact CZ-CB 4.19Å; F459-L514 HydrophobicContact CD1-CD2 4.36Å; F459-L514 HydrophobicContact CE1-CD2 4.07Å; F459-I515 HydrophobicContact CZ-CD1 4.2Å; F459-I515 HydrophobicContact CZ-CG1 4.49Å; F459-I560 HydrophobicContact CE2-CB 4.35Å; F459-I560 HydrophobicContact CE2-CG1 4.18Å; F459-I560 HydrophobicContact CE2-CG2 4.11Å; F459-I560 HydrophobicContact CZ-CG1 3.88Å; F459-I560 HydrophobicContact CZ-CG2 4.44Å; F459-E563 HydrophobicContact CD2-CB 3.81Å; F459-E563 HydrophobicContact CD2-CG 3.97Å; F459-E563 HydrophobicContact CE2-CB 4.45Å; F459-F564 HydrophobicContact CD2-CD2 4.48Å; F459-F564 AromaticContact CD2-CE2 3.76Å; F459-F564 HydrophobicContact CD2-CE2 3.76Å; F459-F564 HydrophobicContact CD2-CZ 4.35Å; F459-F564 HydrophobicContact CE2-CD2 4.22Å; F459-F564 AromaticContact CE2-CE2 3.55Å; F459-F564 HydrophobicContact CE2-CE2 3.55Å; F459-F564 HydrophobicContact CE2-CZ 4.46Å
460	V	96.7	Very high	94.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-50.6	-175.4	172	0	0	0	0	111	S456 N462 L464 L503 P509	S456-V460 PolarHBondContact O-N 3.23Å; V460-N462 PolarHBondContact O-N 3.3Å; V460-L464 WeakPolarHBondContact O-CB 3.35Å; V460-L464 PolarHBondContact O-N 3.19Å; V460-L503 HydrophobicContact CG1-CB 3.78Å; V460-L503 HydrophobicContact CG1-CD2 3.7Å; V460-L503 HydrophobicContact CG1-CG 4.31Å; V460-L503 HydrophobicContact CG2-CD2 4.17Å; V460-P509 HydrophobicContact CB-CB 4.02Å; V460-P509 HydrophobicContact CG1-CB 4.36Å; V460-P509 HydrophobicContact CG2-CB 4.02Å
461	V	96.8	Very high	94.9	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.024	11%	0.111	C	C	.	.	H	α-helix	trans	-66.8	-41.3	-175	176.6	0	0	0	0	111.4	R408 V418 H457 A465 V506	R408-V461 HydrophobicContact CG-CG1 4.21Å; V418-V461 HydrophobicContact CG2-CB 3.84Å; V418-V461 HydrophobicContact CG2-CG1 3.73Å; V418-V461 HydrophobicContact CG2-CG2 4.07Å; H457-V461 VanDerWaalsContact O-CB 3.26Å; H457-V461 WeakPolarHBondContact O-CB 3.33Å; H457-V461 VanDerWaalsContact O-CG2 3.22Å; H457-V461 WeakPolarHBondContact O-CG2 3.24Å; H457-V461 PolarHBondContact O-N 3.4Å; V461-A465 WeakPolarHBondContact O-CB 3.48Å; V461-A465 PolarHBondContact O-N 3.38Å; V461-A465 VanDerWaalsContact O-N 3.09Å; V461-V506 HydrophobicContact CG2-CB 4.44Å; V461-V506 HydrophobicContact CG2-CG1 3.91Å; V461-V506 HydrophobicContact CG2-CG2 3.59Å
462	N	96.2	Very high	94.9	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-71.2	-49.2	-178	-64.8	-12.6	0	0	0	111.8	N406 R408 S458 V460 Q466 E563	N406-N462 PolarHBondContact ND2-ND2 2.71Å; N406-N462 PolarHBondContact OD1-ND2 3.39Å; R408-N462 PolarHBondContact NE-OD1 3.12Å; R408-N462 PolarHBondContact NH2-OD1 3.36Å; S458-N462 WeakPolarHBondContact O-CB 3.39Å; S458-N462 PolarHBondContact O-N 2.84Å; S458-N462 PolarHBondContact O-ND2 3.24Å; S458-N462 PolarHBondContact OG-ND2 2.69Å; V460-N462 PolarHBondContact O-N 3.3Å; N462-Q466 PolarHBondContact O-N 3.48Å; N462-E563 VanDerWaalsContact CB-OE1 3.25Å; N462-E563 WeakPolarHBondContact CB-OE1 3.34Å; N462-E563 PolarHBondContact ND2-OE1 2.98Å
463	V	96.4	Very high	94.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-67.6	-45.3	-177.8	176.8	0	0	0	0	110.1	F459 A465 Q466 A467 L514 M556 L559 E563	F459-V463 HydrophobicContact CD1-CG2 4.41Å; F459-V463 HydrophobicContact CD2-CG2 4.25Å; F459-V463 HydrophobicContact CE1-CG2 4.33Å; F459-V463 HydrophobicContact CE2-CG2 4.14Å; F459-V463 HydrophobicContact CG-CG2 4.38Å; F459-V463 HydrophobicContact CZ-CG2 4.21Å; F459-V463 VanDerWaalsContact O-CB 3.24Å; F459-V463 WeakPolarHBondContact O-CB 3.38Å; F459-V463 WeakPolarHBondContact O-CG2 3.38Å; F459-V463 PolarHBondContact O-N 3.05Å; V463-A465 PolarHBondContact O-N 3.29Å; V463-Q466 PolarHBondContact O-N 3.44Å; V463-A467 WeakPolarHBondContact O-CB 3.42Å; V463-A467 PolarHBondContact O-N 2.87Å; V463-L514 HydrophobicContact CB-CD2 3.82Å; V463-L514 HydrophobicContact CG1-CD2 3.82Å; V463-M556 HydrophobicContact CG1-CE 4.2Å; V463-M556 HydrophobicContact CG1-SD 3.52Å; V463-M556 VanDerWaalsContact CG1-SD 3.52Å; V463-L559 HydrophobicContact CG1-CB 4.07Å; V463-L559 HydrophobicContact CG1-CD1 4.5Å; V463-L559 HydrophobicContact CG2-CB 4.24Å; V463-E563 HydrophobicContact CG2-CG 3.98Å
464	L	96.6	Very high	94.5	Very high	26 Å²	26	12.9 Å²	12.9	14%	0.136	8%	0.077	C	C	.	.	H	α-helix	trans	-60.6	-46.7	177.6	179.2	61.9	0	0	0	111.3	T412 V460 Q466 A467 L468 L503 L504 L514	T412-L464 HydrophobicContact CG2-CG 4.42Å; V460-L464 WeakPolarHBondContact O-CB 3.35Å; V460-L464 PolarHBondContact O-N 3.19Å; L464-Q466 PolarHBondContact O-N 2.93Å; L464-A467 PolarHBondContact O-N 3.34Å; L464-L468 HydrophobicContact CD1-CB 4.47Å; L464-L468 WeakPolarHBondContact O-CB 3.28Å; L464-L468 PolarHBondContact O-N 2.99Å; L464-L503 HydrophobicContact CD2-CB 4.08Å; L464-L504 HydrophobicContact CD2-CB 4.27Å; L464-L504 HydrophobicContact CD2-CD1 4.45Å; L464-L514 HydrophobicContact CB-CD1 4.05Å; L464-L514 HydrophobicContact CB-CD2 4.3Å; L464-L514 HydrophobicContact CD1-CD1 3.83Å; L464-L514 HydrophobicContact CG-CD1 4.46Å
465	A	96.1	Very high	94.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.3	-46	-178.5	0	0	0	0	0	112.6	R408 H409 T412 V461 V463 Y469	R408-A465 HydrophobicContact CB-CB 3.96Å; R408-A465 HydrophobicContact CG-CB 3.91Å; H409-A465 HydrophobicContact CB-CB 4.4Å; H409-A465 WeakPolarHBondContact O-CB 3.41Å; T412-A465 HydrophobicContact CG2-CB 4.24Å; T412-A465 WeakPolarHBondContact OG1-CB 3.35Å; V461-A465 WeakPolarHBondContact O-CB 3.48Å; V461-A465 PolarHBondContact O-N 3.38Å; V461-A465 VanDerWaalsContact O-N 3.09Å; V463-A465 PolarHBondContact O-N 3.29Å; A465-Y469 WeakPolarHBondContact O-CB 3.43Å; A465-Y469 PolarHBondContact O-N 2.93Å; A465-Y469 VanDerWaalsContact O-N 3.12Å
466	Q	95.8	Very high	94.3	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.028	9%	0.088	C	C	.	.	H	α-helix	trans	-74.7	-44.4	-179.4	-64.3	-57.7	-16.3	0	0	112.4	F387 N462 V463 L464 L468 Y469 E470 L559	F387-Q466 VanDerWaalsContact CB-NE2 3.29Å; F387-Q466 HydrophobicContact CD2-CG 3.76Å; F387-Q466 HydrophobicContact CE2-CG 3.82Å; F387-Q466 HydrophobicContact CG-CG 4.25Å; F387-Q466 VanDerWaalsContact CG-NE2 3.34Å; F387-Q466 HydrophobicContact CZ-CG 4.37Å; N462-Q466 PolarHBondContact O-N 3.48Å; V463-Q466 PolarHBondContact O-N 3.44Å; L464-Q466 PolarHBondContact O-N 2.93Å; Q466-L468 VanDerWaalsContact C-N 3.34Å; Q466-L468 PolarHBondContact O-N 3.35Å; Q466-Y469 PolarHBondContact O-N 3.39Å; Q466-E470 WeakPolarHBondContact O-CG 3.29Å; Q466-E470 PolarHBondContact O-N 2.97Å; Q466-L559 HydrophobicContact CB-CD1 3.68Å; Q466-L559 HydrophobicContact CB-CD2 3.52Å; Q466-L559 HydrophobicContact CB-CG 4.26Å; Q466-L559 HydrophobicContact CG-CD2 3.93Å
467	A	95.4	Very high	94.1	Very high	3 Å²	3	20.1 Å²	20.1	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-42.8	-179.8	0	0	0	0	0	111.4	V463 L464 L471 F518 V555 M556 L559	V463-A467 WeakPolarHBondContact O-CB 3.42Å; V463-A467 PolarHBondContact O-N 2.87Å; L464-A467 PolarHBondContact O-N 3.34Å; A467-L471 PolarHBondContact O-N 3.33Å; A467-L471 VanDerWaalsContact O-N 3.12Å; A467-F518 HydrophobicContact CB-CD2 4.33Å; A467-F518 HydrophobicContact CB-CE2 3.97Å; A467-V555 HydrophobicContact CB-CG1 4.05Å; A467-M556 HydrophobicContact CB-CE 4.41Å; A467-L559 HydrophobicContact CB-CD1 3.91Å
468	L	94.8	Very high	94	Very high	29 Å²	29	20.7 Å²	20.7	15%	0.152	12%	0.116	C	C	.	.	H	α-helix	trans	-69.2	-37.8	178.6	-164.5	65.9	0	0	0	111.6	L411 T412 L464 Q466 L471 F472	L411-L468 HydrophobicContact CD2-CB 4.44Å; L411-L468 HydrophobicContact CD2-CD2 4.44Å; L411-L468 HydrophobicContact CD2-CG 4.29Å; T412-L468 HydrophobicContact CG2-CD2 4.13Å; L464-L468 HydrophobicContact CD1-CB 4.47Å; L464-L468 WeakPolarHBondContact O-CB 3.28Å; L464-L468 PolarHBondContact O-N 2.99Å; Q466-L468 VanDerWaalsContact C-N 3.34Å; Q466-L468 PolarHBondContact O-N 3.35Å; L468-L471 PolarHBondContact O-N 3.18Å; L468-F472 HydrophobicContact CD1-CD1 4.38Å; L468-F472 HydrophobicContact CD1-CD2 4.26Å; L468-F472 HydrophobicContact CD1-CE1 3.8Å; L468-F472 HydrophobicContact CD1-CE2 3.63Å; L468-F472 HydrophobicContact CD1-CZ 3.39Å; L468-F472 HydrophobicContact CD2-CD2 4.42Å; L468-F472 HydrophobicContact CD2-CE2 3.8Å; L468-F472 HydrophobicContact CD2-CZ 4.33Å; L468-F472 HydrophobicContact CG-CD2 3.86Å; L468-F472 HydrophobicContact CG-CE1 4.44Å; L468-F472 HydrophobicContact CG-CE2 3.52Å; L468-F472 HydrophobicContact CG-CG 4.45Å; L468-F472 HydrophobicContact CG-CZ 3.87Å; L468-F472 WeakPolarHBondContact O-CB 3.27Å; L468-F472 WeakPolarHBondContact O-CG 3.14Å; L468-F472 PolarHBondContact O-N 2.98Å
469	Y	95.9	Very high	94	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-48.1	174.7	171.3	-108	0	0	0	112.3	S299 D342 H409 A465 Q466 L471 F472 A473	S299-Y469 WeakPolarHBondContact CB-OH 3.43Å; S299-Y469 PolarHBondContact OG-OH 2.89Å; D342-Y469 WeakPolarHBondContact OD2-CE2 3.16Å; H409-Y469 HydrophobicContact CB-CG 4.46Å; H409-Y469 AromaticContact CD2-CD1 3.65Å; H409-Y469 AromaticContact CD2-CD2 3.65Å; H409-Y469 AromaticContact CD2-CE1 3.94Å; H409-Y469 AromaticContact CD2-CE2 3.94Å; H409-Y469 AromaticContact CD2-CG 3.49Å; H409-Y469 VanDerWaalsContact CD2-CG 3.49Å; H409-Y469 AromaticContact CE1-CD2 3.34Å; H409-Y469 WeakPolarHBondContact CE1-CD2 3.48Å; H409-Y469 AromaticContact CE1-CE2 3.76Å; H409-Y469 AromaticContact CE1-CG 3.87Å; H409-Y469 AromaticContact CG-CD2 3.97Å; H409-Y469 AromaticContact CG-CG 3.67Å; H409-Y469 AromaticContact ND1-CD2 3.77Å; H409-Y469 AromaticContact ND1-CG 3.88Å; H409-Y469 AromaticContact NE2-CD2 3.26Å; H409-Y469 VanDerWaalsContact NE2-CD2 3.26Å; H409-Y469 WeakPolarHBondContact NE2-CD2 3.23Å; H409-Y469 AromaticContact NE2-CE2 3.32Å; H409-Y469 VanDerWaalsContact NE2-CE2 3.32Å; H409-Y469 WeakPolarHBondContact NE2-CE2 3.44Å; H409-Y469 AromaticContact NE2-CG 3.66Å; H409-Y469 AromaticContact NE2-CZ 3.76Å; A465-Y469 WeakPolarHBondContact O-CB 3.43Å; A465-Y469 PolarHBondContact O-N 2.93Å; A465-Y469 VanDerWaalsContact O-N 3.12Å; Q466-Y469 PolarHBondContact O-N 3.39Å; Y469-L471 PolarHBondContact O-N 2.98Å; Y469-F472 PolarHBondContact O-N 2.9Å; Y469-A473 HydrophobicContact CD2-CB 4.08Å; Y469-A473 HydrophobicContact CE2-CB 3.56Å; Y469-A473 WeakPolarHBondContact O-CB 3.49Å; Y469-A473 PolarHBondContact O-N 2.85Å
470	E	94.3	Very high	93.9	Very high	53 Å²	53	22.9 Å²	22.9	25%	0.248	13%	0.127	C	C	.	.	H	α-helix	trans	-62.8	-30.2	177.6	-69.5	-70.8	-173.1	0	0	112.5	R344 Q466 V555	R344-E470 IonicContact CZ-OE2 3.22Å; R344-E470 IonicContact NH1-OE2 3.87Å; R344-E470 PolarHBondContact NH1-OE2 3.14Å; R344-E470 IonicContact NH2-OE1 3.92Å; R344-E470 IonicContact NH2-OE2 3.98Å; R344-E470 PolarHBondContact NH2-OE2 3.14Å; Q466-E470 WeakPolarHBondContact O-CG 3.29Å; Q466-E470 PolarHBondContact O-N 2.97Å; E470-V555 HydrophobicContact CB-CG1 4.37Å; E470-V555 HydrophobicContact CB-CG2 4.48Å
471	L	93.5	Very high	93.7	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-50.3	170.9	-104.4	64.2	0	0	0	111.9	A467 L468 Y469 A474 L479 L482 R483 C486 F518	A467-L471 PolarHBondContact O-N 3.33Å; A467-L471 VanDerWaalsContact O-N 3.12Å; L468-L471 PolarHBondContact O-N 3.18Å; Y469-L471 PolarHBondContact O-N 2.98Å; L471-A474 WeakPolarHBondContact O-CB 3.34Å; L471-A474 PolarHBondContact O-N 3.38Å; L471-L479 HydrophobicContact CD1-CD2 4.13Å; L471-L482 HydrophobicContact CD1-CB 4.22Å; L471-L482 HydrophobicContact CD1-CD1 4.26Å; L471-L482 HydrophobicContact CD2-CB 4.09Å; L471-L482 HydrophobicContact CG-CB 3.89Å; L471-R483 WeakPolarHBondContact O-CB 3.22Å; L471-C486 HydrophobicContact CD2-CB 4.4Å; L471-F518 HydrophobicContact CD1-CE2 4.22Å
472	F	93.4	Very high	93.7	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.013	14%	0.14	C	C	.	.	H	α-helix	trans	-75.4	-32.9	-172.8	-70	-8.6	0	0	0	113.1	L319 L321 P326 L411 L468 Y469 A474 R483	L319-F472 HydrophobicContact CD2-CD2 4.03Å; L319-F472 HydrophobicContact CD2-CE2 3.53Å; L319-F472 HydrophobicContact CD2-CZ 4.38Å; L321-F472 HydrophobicContact CD2-CB 4.34Å; L321-F472 HydrophobicContact CD2-CD1 3.89Å; L321-F472 HydrophobicContact CD2-CD2 3.76Å; L321-F472 HydrophobicContact CD2-CE1 4.03Å; L321-F472 HydrophobicContact CD2-CE2 3.93Å; L321-F472 HydrophobicContact CD2-CG 3.74Å; L321-F472 HydrophobicContact CD2-CZ 4.04Å; P326-F472 HydrophobicContact CB-CB 4.43Å; P326-F472 HydrophobicContact CG-CB 4.2Å; L411-F472 HydrophobicContact CD2-CD2 4.04Å; L468-F472 HydrophobicContact CD1-CD1 4.38Å; L468-F472 HydrophobicContact CD1-CD2 4.26Å; L468-F472 HydrophobicContact CD1-CE1 3.8Å; L468-F472 HydrophobicContact CD1-CE2 3.63Å; L468-F472 HydrophobicContact CD1-CZ 3.39Å; L468-F472 HydrophobicContact CD2-CD2 4.42Å; L468-F472 HydrophobicContact CD2-CE2 3.8Å; L468-F472 HydrophobicContact CD2-CZ 4.33Å; L468-F472 HydrophobicContact CG-CD2 3.86Å; L468-F472 HydrophobicContact CG-CE1 4.44Å; L468-F472 HydrophobicContact CG-CE2 3.52Å; L468-F472 HydrophobicContact CG-CG 4.45Å; L468-F472 HydrophobicContact CG-CZ 3.87Å; L468-F472 WeakPolarHBondContact O-CB 3.27Å; L468-F472 WeakPolarHBondContact O-CG 3.14Å; L468-F472 PolarHBondContact O-N 2.98Å; Y469-F472 PolarHBondContact O-N 2.9Å; F472-A474 VanDerWaalsContact C-N 3.28Å; F472-A474 PolarHBondContact O-N 3.41Å; F472-R483 HydrophobicContact CD1-CG 4.1Å; F472-R483 PolarHBondContact O-NH1 3.1Å
473	A	93	Very high	93.6	Very high	2 Å²	2	26 Å²	26	2%	0.017	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	44.4	170.2	0	0	0	0	0	111.5	P324 R344 Y469 T475	P324-A473 WeakPolarHBondContact O-CA 3.39Å; R344-A473 PolarHBondContact NH1-O 3.32Å; Y469-A473 HydrophobicContact CD2-CB 4.08Å; Y469-A473 HydrophobicContact CE2-CB 3.56Å; Y469-A473 WeakPolarHBondContact O-CB 3.49Å; Y469-A473 PolarHBondContact O-N 2.85Å; A473-T475 PolarHBondContact O-N 2.66Å
474	A	88.4	Confident	93.6	Very high	20 Å²	20	29.8 Å²	29.8	17%	0.165	16%	0.157	C	C	.	.			trans	-54.7	127.9	-175.3	0	0	0	0	0	112.3	L471 F472 L479 H480	L471-A474 WeakPolarHBondContact O-CB 3.34Å; L471-A474 PolarHBondContact O-N 3.38Å; F472-A474 VanDerWaalsContact C-N 3.28Å; F472-A474 PolarHBondContact O-N 3.41Å; A474-L479 HydrophobicContact CB-CB 3.56Å; A474-H480 HydrophobicContact CB-CB 4.16Å
475	T	86.6	Confident	93.5	Very high	90 Å²	90	28.7 Å²	28.7	55%	0.552	15%	0.152	S	C	*	.			trans	-102.3	-8.7	-179.9	52.3	0	0	0	0	113.6	A473	A473-T475 PolarHBondContact O-N 2.66Å
476	D	91.1	Very high	93.6	Very high	35 Å²	35	29 Å²	29	19%	0.187	15%	0.154	C	C	.	.	S	Bend	trans	-140.5	166	179.8	70.4	64.8	0	0	0	111.9	S478 L479 H480 R551	D476-S478 VanDerWaalsContact C-N 3.29Å; D476-S478 PolarHBondContact O-N 2.82Å; D476-S478 WeakPolarHBondContact OD1-CA 3.34Å; D476-S478 VanDerWaalsContact OD1-CB 3.29Å; D476-S478 WeakPolarHBondContact OD1-CB 3.36Å; D476-S478 PolarHBondContact OD1-N 3.45Å; D476-L479 PolarHBondContact O-N 3.1Å; D476-L479 PolarHBondContact OD1-N 3.47Å; D476-L479 WeakPolarHBondContact OD2-CD1 3.42Å; D476-H480 WeakPolarHBondContact O-CB 3.28Å; D476-H480 PolarHBondContact O-N 3.15Å; D476-R551 IonicContact OD1-NE 2.82Å; D476-R551 IonicContact OD2-CZ 2.78Å; D476-R551 IonicContact OD2-NE 2.68Å; D476-R551 PolarHBondContact OD2-NE 3.41Å; D476-R551 IonicContact OD2-NH2 3.8Å; D476-R551 PolarHBondContact OD2-NH2 2.84Å
477	N	90.8	Very high	93.6	Very high	136 Å²	136	28.9 Å²	28.9	73%	0.727	15%	0.154	S	C	*	.	H	α-helix	trans	-61.6	-33.7	-176.1	-69.3	-16	0	0	0	113.6	H480 Q481	N477-H480 PolarHBondContact O-N 3.14Å; N477-Q481 WeakPolarHBondContact O-CG 3.38Å; N477-Q481 PolarHBondContact O-N 3.26Å
478	S	93.1	Very high	93.6	Very high	18 Å²	18	31.1 Å²	31.1	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-72.6	-42.6	-179.7	-59.9	0	0	0	0	111	D476 H480 Q481 L482	D476-S478 VanDerWaalsContact C-N 3.29Å; D476-S478 PolarHBondContact O-N 2.82Å; D476-S478 WeakPolarHBondContact OD1-CA 3.34Å; D476-S478 VanDerWaalsContact OD1-CB 3.29Å; D476-S478 WeakPolarHBondContact OD1-CB 3.36Å; D476-S478 PolarHBondContact OD1-N 3.45Å; S478-H480 VanDerWaalsContact C-N 3.27Å; S478-H480 PolarHBondContact O-N 2.77Å; S478-Q481 PolarHBondContact O-N 2.89Å; S478-L482 WeakPolarHBondContact O-CG 3.43Å; S478-L482 PolarHBondContact O-N 3.48Å
479	L	93.4	Very high	93.7	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-63.4	-37.8	172.5	-70.3	174.1	0	0	0	111.1	L471 A474 D476 L482 R483 V555	L471-L479 HydrophobicContact CD1-CD2 4.13Å; A474-L479 HydrophobicContact CB-CB 3.56Å; D476-L479 PolarHBondContact O-N 3.1Å; D476-L479 PolarHBondContact OD1-N 3.47Å; D476-L479 WeakPolarHBondContact OD2-CD1 3.42Å; L479-L482 HydrophobicContact CD2-CD1 4.27Å; L479-L482 WeakPolarHBondContact O-CB 3.44Å; L479-L482 PolarHBondContact O-N 2.91Å; L479-R483 PolarHBondContact O-N 3.45Å; L479-V555 HydrophobicContact CD2-CG2 3.94Å
480	H	93.7	Very high	93.7	Very high	42 Å²	42	32 Å²	32	19%	0.194	17%	0.167	C	C	.	.	H	α-helix	trans	-64.8	-39.3	176	-175	73.6	0	0	0	112.2	E197 A474 D476 N477 S478 R483 K484	E197-H480 IonicContact OE1-CE1 2.69Å; E197-H480 PolarHBondContact OE1-CE1 3.48Å; E197-H480 IonicContact OE1-NE2 3.32Å; E197-H480 IonicContact OE2-CE1 3.12Å; E197-H480 PolarHBondContact OE2-CE1 2.93Å; E197-H480 IonicContact OE2-NE2 3.97Å; E197-H480 PolarHBondContact OE2-NE2 3.37Å; A474-H480 HydrophobicContact CB-CB 4.16Å; D476-H480 WeakPolarHBondContact O-CB 3.28Å; D476-H480 PolarHBondContact O-N 3.15Å; N477-H480 PolarHBondContact O-N 3.14Å; S478-H480 VanDerWaalsContact C-N 3.27Å; S478-H480 PolarHBondContact O-N 2.77Å; H480-R483 WeakPolarHBondContact O-CB 3.35Å; H480-R483 PolarHBondContact O-N 2.9Å; H480-K484 WeakPolarHBondContact NE2-CE 3.38Å; H480-K484 PolarHBondContact NE2-NZ 2.97Å; H480-K484 PolarHBondContact O-N 2.87Å
481	Q	93.4	Very high	93.8	Very high	64 Å²	64	33.7 Å²	33.7	30%	0.299	17%	0.174	S	C	.	.	H	α-helix	trans	-64.9	-39.3	171	-75.5	175.5	-17.8	0	0	112.4	N477 S478 K484 A485 I548	N477-Q481 WeakPolarHBondContact O-CG 3.38Å; N477-Q481 PolarHBondContact O-N 3.26Å; S478-Q481 PolarHBondContact O-N 2.89Å; Q481-K484 PolarHBondContact O-N 3.33Å; Q481-A485 WeakPolarHBondContact O-CB 3.44Å; Q481-A485 PolarHBondContact O-N 2.86Å; Q481-I548 HydrophobicContact CB-CD1 4.47Å; Q481-I548 HydrophobicContact CB-CG1 4.48Å; Q481-I548 VanDerWaalsContact OE1-CD1 3.28Å
482	L	95.4	Very high	93.9	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-40.8	174.1	-74.8	167.9	0	0	0	112	L471 S478 L479 A485 C486 A522 A525 I548 A552	L471-L482 HydrophobicContact CD1-CB 4.22Å; L471-L482 HydrophobicContact CD1-CD1 4.26Å; L471-L482 HydrophobicContact CD2-CB 4.09Å; L471-L482 HydrophobicContact CG-CB 3.89Å; S478-L482 WeakPolarHBondContact O-CG 3.43Å; S478-L482 PolarHBondContact O-N 3.48Å; L479-L482 HydrophobicContact CD2-CD1 4.27Å; L479-L482 WeakPolarHBondContact O-CB 3.44Å; L479-L482 PolarHBondContact O-N 2.91Å; L482-A485 PolarHBondContact O-N 3.39Å; L482-C486 VanDerWaalsContact O-CB 3.29Å; L482-C486 WeakPolarHBondContact O-CB 3.33Å; L482-C486 PolarHBondContact O-N 3.28Å; L482-A522 HydrophobicContact CD2-CB 3.96Å; L482-A525 HydrophobicContact CD2-CB 4.07Å; L482-I548 HydrophobicContact CD2-CG2 3.75Å; L482-I548 HydrophobicContact CG-CG2 4.08Å; L482-A552 HydrophobicContact CD1-CB 4.3Å
483	R	95.8	Very high	93.9	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-58.6	-50	173.3	175	178.5	159.4	174.7	-18.5	111.7	L321 A322 N323 L471 F472 L479 H480 A485 C486 F487	L321-R483 PolarHBondContact O-NH2 2.81Å; A322-R483 PolarHBondContact O-NH1 3.35Å; A322-R483 PolarHBondContact O-NH2 2.98Å; N323-R483 PolarHBondContact OD1-NH1 3.23Å; N323-R483 PolarHBondContact OD1-NH2 3.22Å; L471-R483 WeakPolarHBondContact O-CB 3.22Å; F472-R483 HydrophobicContact CD1-CG 4.1Å; F472-R483 PolarHBondContact O-NH1 3.1Å; L479-R483 PolarHBondContact O-N 3.45Å; H480-R483 WeakPolarHBondContact O-CB 3.35Å; H480-R483 PolarHBondContact O-N 2.9Å; R483-A485 PolarHBondContact O-N 3.39Å; R483-C486 WeakPolarHBondContact O-CB 3.29Å; R483-C486 PolarHBondContact O-N 2.89Å; R483-F487 PolarHBondContact O-N 3.06Å
484	K	94.6	Very high	94	Very high	81 Å²	81	41.3 Å²	41.3	35%	0.352	23%	0.232	S	C	.	.	H	α-helix	trans	-58.3	-47.5	176.2	-77.8	177	163.5	159.8	0	111.9	E197 H480 Q481 C486 F487 L488	E197-K484 WeakPolarHBondContact OE2-CE 3.42Å; E197-K484 IonicContact OE2-NZ 2.66Å; E197-K484 PolarHBondContact OE2-NZ 3.26Å; H480-K484 WeakPolarHBondContact NE2-CE 3.38Å; H480-K484 PolarHBondContact NE2-NZ 2.97Å; H480-K484 PolarHBondContact O-N 2.87Å; Q481-K484 PolarHBondContact O-N 3.33Å; K484-C486 VanDerWaalsContact C-N 3.32Å; K484-C486 PolarHBondContact O-N 3.44Å; K484-F487 PolarHBondContact O-N 3.46Å; K484-L488 WeakPolarHBondContact O-CG 3.38Å; K484-L488 PolarHBondContact O-N 2.96Å
485	A	95.9	Very high	94.3	Very high	3 Å²	3	46.3 Å²	46.3	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-63.4	-37.7	177.9	0	0	0	0	0	112.2	Q481 L482 R483 L488 Y489 V521 Y524 A525	Q481-A485 WeakPolarHBondContact O-CB 3.44Å; Q481-A485 PolarHBondContact O-N 2.86Å; L482-A485 PolarHBondContact O-N 3.39Å; R483-A485 PolarHBondContact O-N 3.39Å; A485-L488 PolarHBondContact O-N 3.2Å; A485-Y489 WeakPolarHBondContact O-CB 3.45Å; A485-Y489 PolarHBondContact O-N 2.85Å; A485-V521 HydrophobicContact CB-CG1 4.28Å; A485-Y524 HydrophobicContact CB-CD1 4.47Å; A485-A525 HydrophobicContact CB-CB 3.47Å; A485-A525 VanDerWaalsContact CB-CB 3.47Å
486	C	96.7	Very high	94.7	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-46.7	176.1	-175.3	0	0	0	0	111.5	L471 L482 R483 K484 Y489 F490 V521	L471-C486 HydrophobicContact CD2-CB 4.4Å; L482-C486 VanDerWaalsContact O-CB 3.29Å; L482-C486 WeakPolarHBondContact O-CB 3.33Å; L482-C486 PolarHBondContact O-N 3.28Å; R483-C486 WeakPolarHBondContact O-CB 3.29Å; R483-C486 PolarHBondContact O-N 2.89Å; K484-C486 VanDerWaalsContact C-N 3.32Å; K484-C486 PolarHBondContact O-N 3.44Å; C486-Y489 WeakPolarHBondContact O-CB 3.43Å; C486-Y489 PolarHBondContact O-N 3.21Å; C486-F490 VanDerWaalsContact O-CD2 3.28Å; C486-F490 WeakPolarHBondContact O-CD2 3.27Å; C486-F490 PolarHBondContact O-N 2.91Å; C486-F490 VanDerWaalsContact SG-CE2 3.59Å; C486-V521 HydrophobicContact CB-CG1 3.84Å
487	F	96.5	Very high	94.9	Very high	3 Å²	3	42 Å²	42	1%	0.013	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-46.2	175.8	178.1	-102.1	0	0	0	112.3	I193 D195 T200 V202 L321 R483 K484 Y489 F490 K491	I193-F487 HydrophobicContact CB-CE2 4.48Å; I193-F487 HydrophobicContact CG2-CD2 3.96Å; I193-F487 HydrophobicContact CG2-CE2 4.17Å; D195-F487 HydrophobicContact CB-CD1 3.9Å; D195-F487 HydrophobicContact CB-CD2 3.91Å; D195-F487 HydrophobicContact CB-CE1 3.63Å; D195-F487 HydrophobicContact CB-CE2 3.65Å; D195-F487 HydrophobicContact CB-CG 4.02Å; D195-F487 HydrophobicContact CB-CZ 3.51Å; T200-F487 WeakPolarHBondContact O-CZ 3.45Å; T200-F487 WeakPolarHBondContact OG1-CE1 3.49Å; V202-F487 HydrophobicContact CB-CE2 4.27Å; V202-F487 HydrophobicContact CG1-CD2 3.93Å; V202-F487 HydrophobicContact CG1-CE2 3.64Å; V202-F487 HydrophobicContact CG1-CZ 4.43Å; L321-F487 HydrophobicContact CD1-CB 4.25Å; L321-F487 HydrophobicContact CD1-CD2 4.11Å; L321-F487 HydrophobicContact CD1-CG 4.47Å; R483-F487 PolarHBondContact O-N 3.06Å; K484-F487 PolarHBondContact O-N 3.46Å; F487-Y489 VanDerWaalsContact C-N 3.29Å; F487-Y489 PolarHBondContact O-N 3.38Å; F487-F490 PolarHBondContact O-N 3.37Å; F487-K491 HydrophobicContact CE1-CD 4.25Å; F487-K491 VanDerWaalsContact CZ-CE 3.48Å; F487-K491 PolarHBondContact O-N 3.3Å
488	L	95.7	Very high	95	Very high	51 Å²	51	39.4 Å²	39.4	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-67	-31.2	177.2	-66	172.4	0	0	0	112.6	K484 A485 F490 K491 L492 Y524 Y528	K484-L488 WeakPolarHBondContact O-CG 3.38Å; K484-L488 PolarHBondContact O-N 2.96Å; A485-L488 PolarHBondContact O-N 3.2Å; L488-F490 VanDerWaalsContact C-N 3.33Å; L488-K491 WeakPolarHBondContact O-CB 3.41Å; L488-K491 PolarHBondContact O-N 3.32Å; L488-K491 VanDerWaalsContact O-N 3.15Å; L488-L492 PolarHBondContact O-N 3.42Å; L488-Y524 HydrophobicContact CB-CE1 3.85Å; L488-Y528 HydrophobicContact CB-CE2 4.05Å; L488-Y528 HydrophobicContact CD1-CD2 4.13Å; L488-Y528 HydrophobicContact CD1-CE1 4.19Å; L488-Y528 HydrophobicContact CD1-CE2 3.57Å; L488-Y528 HydrophobicContact CG-CE2 4.44Å
489	Y	96.8	Very high	95.1	Very high	21 Å²	21	38.9 Å²	38.9	8%	0.082	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-41.8	176.7	-177.6	-98.3	0	0	0	110.6	A485 C486 F487 K491 L492 C496 P500 H517 A520 V521 Y524	A485-Y489 WeakPolarHBondContact O-CB 3.45Å; A485-Y489 PolarHBondContact O-N 2.85Å; C486-Y489 WeakPolarHBondContact O-CB 3.43Å; C486-Y489 PolarHBondContact O-N 3.21Å; F487-Y489 VanDerWaalsContact C-N 3.29Å; F487-Y489 PolarHBondContact O-N 3.38Å; Y489-K491 VanDerWaalsContact C-N 3.26Å; Y489-K491 PolarHBondContact O-N 2.79Å; Y489-L492 HydrophobicContact CD2-CD1 4.13Å; Y489-L492 VanDerWaalsContact O-CB 3.29Å; Y489-L492 WeakPolarHBondContact O-CB 3.48Å; Y489-L492 PolarHBondContact O-N 2.93Å; Y489-L492 VanDerWaalsContact O-N 3.1Å; Y489-C496 HydrophobicContact CD1-CB 3.83Å; Y489-C496 HydrophobicContact CD2-CB 4.4Å; Y489-C496 VanDerWaalsContact CE1-CA 3.49Å; Y489-C496 HydrophobicContact CE1-CB 3.5Å; Y489-C496 WeakPolarHBondContact CE1-O 3.31Å; Y489-C496 HydrophobicContact CE2-CB 4.1Å; Y489-C496 HydrophobicContact CG-CB 4.26Å; Y489-C496 VanDerWaalsContact CZ-SG 3.53Å; Y489-C496 WeakPolarHBondContact O-CB 3.43Å; Y489-P500 HydrophobicContact CE1-CG 4.41Å; Y489-H517 AromaticContact CE1-ND1 3.84Å; Y489-H517 AromaticContact CZ-ND1 3.78Å; Y489-H517 PolarHBondContact OH-ND1 3.12Å; Y489-A520 HydrophobicContact CE2-CB 4.01Å; Y489-V521 HydrophobicContact CD1-CG2 3.78Å; Y489-V521 HydrophobicContact CD2-CG2 4.22Å; Y489-V521 HydrophobicContact CE1-CG2 4.27Å; Y489-V521 HydrophobicContact CG-CG2 3.75Å; Y489-Y524 HydrophobicContact CD2-CD1 4.21Å; Y489-Y524 HydrophobicContact CD2-CG 4.49Å
490	F	96.6	Very high	95.2	Very high	25 Å²	25	39.7 Å²	39.7	11%	0.11	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-34.5	173.4	-62.3	-43.4	0	0	0	112.7	I193 V202 I204 C486 F487 L488 L492 G493 C496 V497 P500	I193-F490 HydrophobicContact CD1-CD2 3.88Å; I193-F490 HydrophobicContact CD1-CE2 3.83Å; V202-F490 HydrophobicContact CG1-CB 4.03Å; V202-F490 HydrophobicContact CG2-CB 3.98Å; I204-F490 HydrophobicContact CD1-CB 3.77Å; I204-F490 HydrophobicContact CD1-CD1 4.14Å; I204-F490 HydrophobicContact CD1-CD2 4.22Å; I204-F490 HydrophobicContact CD1-CG 3.8Å; C486-F490 VanDerWaalsContact O-CD2 3.28Å; C486-F490 WeakPolarHBondContact O-CD2 3.27Å; C486-F490 PolarHBondContact O-N 2.91Å; C486-F490 VanDerWaalsContact SG-CE2 3.59Å; F487-F490 PolarHBondContact O-N 3.37Å; L488-F490 VanDerWaalsContact C-N 3.33Å; F490-L492 PolarHBondContact O-N 2.98Å; F490-G493 PolarHBondContact O-N 3.37Å; F490-G493 VanDerWaalsContact O-N 3.1Å; F490-C496 WeakPolarHBondContact CD1-O 3.46Å; F490-V497 HydrophobicContact CB-CG2 4.36Å; F490-V497 WeakPolarHBondContact O-CG2 3.33Å; F490-P500 HydrophobicContact CE1-CB 3.83Å; F490-P500 HydrophobicContact CE1-CG 4.08Å
491	K	95.4	Very high	95.3	Very high	89 Å²	89	37.8 Å²	37.8	39%	0.387	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.5	176.3	-68.8	-167.5	172.9	-173.4	0	114.4	T200 E201 V202 F487 L488 Y489 G493	T200-K491 PolarHBondContact OG1-NZ 2.83Å; E201-K491 WeakPolarHBondContact O-CE 3.21Å; V202-K491 HydrophobicContact CB-CG 4.08Å; V202-K491 HydrophobicContact CG2-CG 4.05Å; F487-K491 HydrophobicContact CE1-CD 4.25Å; F487-K491 VanDerWaalsContact CZ-CE 3.48Å; F487-K491 PolarHBondContact O-N 3.3Å; L488-K491 WeakPolarHBondContact O-CB 3.41Å; L488-K491 PolarHBondContact O-N 3.32Å; L488-K491 VanDerWaalsContact O-N 3.15Å; Y489-K491 VanDerWaalsContact C-N 3.26Å; Y489-K491 PolarHBondContact O-N 2.79Å; K491-G493 PolarHBondContact O-N 3.1Å
492	L	95.4	Very high	95.4	Very high	95 Å²	95	34.8 Å²	34.8	50%	0.497	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.2	173.1	-62	177.2	0	0	0	112.6	L488 Y489 F490 C496 Y524	L488-L492 PolarHBondContact O-N 3.42Å; Y489-L492 HydrophobicContact CD2-CD1 4.13Å; Y489-L492 VanDerWaalsContact O-CB 3.29Å; Y489-L492 WeakPolarHBondContact O-CB 3.48Å; Y489-L492 PolarHBondContact O-N 2.93Å; Y489-L492 VanDerWaalsContact O-N 3.1Å; F490-L492 PolarHBondContact O-N 2.98Å; L492-C496 HydrophobicContact CB-CB 4.07Å; L492-Y524 HydrophobicContact CD1-CE1 4.09Å; L492-Y524 HydrophobicContact CD1-CE2 4.13Å
493	G	93.8	Very high	95.5	Very high	28 Å²	28	34.8 Å²	34.8	29%	0.289	19%	0.194	S	C	.	.			trans	67.2	-169.4	-179.5	0	0	0	0	0	113.9	F490 K491 E495 C496	F490-G493 PolarHBondContact O-N 3.37Å; F490-G493 VanDerWaalsContact O-N 3.1Å; K491-G493 PolarHBondContact O-N 3.1Å; G493-E495 PolarHBondContact O-N 3Å; G493-C496 WeakPolarHBondContact O-CB 3.49Å; G493-C496 PolarHBondContact O-N 3.39Å; G493-C496 VanDerWaalsContact O-N 3.15Å
494	G	94.8	Very high	95.5	Very high	48 Å²	48	36.2 Å²	36.2	50%	0.495	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-133.6	-179.3	0	0	0	0	0	112.5	C496 V497 N498	G494-C496 PolarHBondContact O-N 2.9Å; G494-C496 VanDerWaalsContact O-N 3.16Å; G494-V497 PolarHBondContact O-N 3.31Å; G494-N498 PolarHBondContact O-N 2.97Å
495	E	94.8	Very high	95.6	Very high	125 Å²	125	32.3 Å²	32.3	58%	0.584	19%	0.185	S	C	*	.	H	α-helix	trans	-63.2	-20.4	179.6	-67.4	-52.8	111.3	0	0	114	G493 V497 N498 G499 P500 H517	G493-E495 PolarHBondContact O-N 3Å; E495-V497 PolarHBondContact O-N 3.15Å; E495-N498 PolarHBondContact OE1-ND2 3.33Å; E495-G499 PolarHBondContact O-N 3.31Å; E495-P500 WeakPolarHBondContact O-CD 3.48Å; E495-H517 PolarHBondContact O-CE1 3.17Å
496	C	94.8	Very high	95.6	Very high	23 Å²	23	32.6 Å²	32.6	16%	0.155	19%	0.186	C	C	.	.	H	α-helix	trans	-68.6	-14.8	174.1	-54.9	0	0	0	0	112.4	Y489 F490 L492 G493 G494 P500	Y489-C496 HydrophobicContact CD1-CB 3.83Å; Y489-C496 HydrophobicContact CD2-CB 4.4Å; Y489-C496 VanDerWaalsContact CE1-CA 3.49Å; Y489-C496 HydrophobicContact CE1-CB 3.5Å; Y489-C496 WeakPolarHBondContact CE1-O 3.31Å; Y489-C496 HydrophobicContact CE2-CB 4.1Å; Y489-C496 HydrophobicContact CG-CB 4.26Å; Y489-C496 VanDerWaalsContact CZ-SG 3.53Å; Y489-C496 WeakPolarHBondContact O-CB 3.43Å; F490-C496 WeakPolarHBondContact CD1-O 3.46Å; L492-C496 HydrophobicContact CB-CB 4.07Å; G493-C496 WeakPolarHBondContact O-CB 3.49Å; G493-C496 PolarHBondContact O-N 3.39Å; G493-C496 VanDerWaalsContact O-N 3.15Å; G494-C496 PolarHBondContact O-N 2.9Å; G494-C496 VanDerWaalsContact O-N 3.16Å; C496-P500 WeakPolarHBondContact O-CG 3.44Å
497	V	95.1	Very high	95.5	Very high	11 Å²	11	32.8 Å²	32.8	7%	0.067	19%	0.187	C	C	.	.	H	α-helix	trans	-110.4	-50	172.8	177.9	0	0	0	0	110.8	I204 F490 G494 E495 G499 P500 I501	I204-V497 HydrophobicContact CD1-CG1 4.12Å; I204-V497 HydrophobicContact CD1-CG2 4.38Å; I204-V497 HydrophobicContact CG2-CG1 4.15Å; F490-V497 HydrophobicContact CB-CG2 4.36Å; F490-V497 WeakPolarHBondContact O-CG2 3.33Å; G494-V497 PolarHBondContact O-N 3.31Å; E495-V497 PolarHBondContact O-N 3.15Å; V497-G499 PolarHBondContact O-N 3.5Å; V497-P500 WeakPolarHBondContact O-CD 3.4Å; V497-I501 WeakPolarHBondContact O-CB 3.48Å; V497-I501 VanDerWaalsContact O-CG2 3.23Å; V497-I501 WeakPolarHBondContact O-CG2 3.33Å; V497-I501 PolarHBondContact O-N 2.92Å
498	N	93.6	Very high	95.4	Very high	81 Å²	81	36.9 Å²	36.9	43%	0.433	21%	0.212	S	C	.	.	H	α-helix	trans	-59.5	-42.9	-174.9	-66.5	-21.5	0	0	0	113.1	G494 E495 I501 G502	G494-N498 PolarHBondContact O-N 2.97Å; E495-N498 PolarHBondContact OE1-ND2 3.33Å; N498-I501 WeakPolarHBondContact O-CG2 3.46Å; N498-G502 PolarHBondContact O-N 3.07Å
499	G	94.8	Very high	95.3	Very high	8 Å²	8	36 Å²	36	8%	0.082	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-58.5	178.1	0	0	0	0	0	111.7	E495 V497 I501 G502 L503	E495-G499 PolarHBondContact O-N 3.31Å; V497-G499 PolarHBondContact O-N 3.5Å; G499-I501 VanDerWaalsContact C-N 3.34Å; G499-I501 PolarHBondContact O-N 3.47Å; G499-G502 PolarHBondContact O-N 3.42Å; G499-L503 WeakPolarHBondContact O-CG 3.4Å; G499-L503 PolarHBondContact O-N 3.32Å
500	P	95.8	Very high	95.2	Very high	23 Å²	23	37 Å²	37	15%	0.149	22%	0.22	C	C	.	.	H	α-helix	trans	-57.2	-39.9	177.5	-30.3	38.7	0	0	0	114.5	Y489 F490 E495 C496 V497 L503 L504 H517	Y489-P500 HydrophobicContact CE1-CG 4.41Å; F490-P500 HydrophobicContact CE1-CB 3.83Å; F490-P500 HydrophobicContact CE1-CG 4.08Å; E495-P500 WeakPolarHBondContact O-CD 3.48Å; C496-P500 WeakPolarHBondContact O-CG 3.44Å; V497-P500 WeakPolarHBondContact O-CD 3.4Å; P500-L503 WeakPolarHBondContact O-CB 3.47Å; P500-L503 PolarHBondContact O-N 3.35Å; P500-L504 PolarHBondContact O-N 2.87Å; P500-H517 HydrophobicContact CG-CB 4.3Å
501	I	95.4	Very high	95.1	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-32.3	178.7	-164.7	53	0	0	0	112.1	Y191 I204 P205 Y206 P207 V497 N498 G499 L503 L504 S505	Y191-I501 HydrophobicContact CD2-CD1 4.38Å; I204-I501 HydrophobicContact CG2-CB 3.95Å; I204-I501 HydrophobicContact CG2-CD1 3.63Å; I204-I501 HydrophobicContact CG2-CG1 3.86Å; P205-I501 WeakPolarHBondContact O-CG1 3.28Å; Y206-I501 HydrophobicContact CD1-CD1 3.68Å; Y206-I501 HydrophobicContact CD1-CG1 3.8Å; Y206-I501 HydrophobicContact CE1-CD1 3.74Å; Y206-I501 HydrophobicContact CE1-CG1 4.36Å; P207-I501 HydrophobicContact CG-CG2 4.08Å; V497-I501 WeakPolarHBondContact O-CB 3.48Å; V497-I501 VanDerWaalsContact O-CG2 3.23Å; V497-I501 WeakPolarHBondContact O-CG2 3.33Å; V497-I501 PolarHBondContact O-N 2.92Å; N498-I501 WeakPolarHBondContact O-CG2 3.46Å; G499-I501 VanDerWaalsContact C-N 3.34Å; G499-I501 PolarHBondContact O-N 3.47Å; I501-L503 VanDerWaalsContact C-N 3.26Å; I501-L503 PolarHBondContact O-N 2.9Å; I501-L504 HydrophobicContact CD1-CB 4.21Å; I501-L504 HydrophobicContact CD1-CD2 3.85Å; I501-L504 HydrophobicContact CD1-CG 4.41Å; I501-L504 PolarHBondContact O-N 3.32Å; I501-S505 WeakPolarHBondContact O-CB 3.25Å; I501-S505 PolarHBondContact O-N 2.87Å; I501-S505 PolarHBondContact O-OG 3.37Å
502	G	95.5	Very high	95.1	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-35.2	171.4	0	0	0	0	0	113.1	N498 G499 S505 V506 L507 T508	N498-G502 PolarHBondContact O-N 3.07Å; G499-G502 PolarHBondContact O-N 3.42Å; G502-S505 PolarHBondContact O-OG 3.06Å; G502-V506 PolarHBondContact O-N 3.11Å; G502-L507 PolarHBondContact O-N 3.38Å; G502-L507 VanDerWaalsContact O-N 3.15Å; G502-T508 VanDerWaalsContact CA-OG1 3.32Å; G502-T508 WeakPolarHBondContact CA-OG1 3.23Å; G502-T508 PolarHBondContact O-N 3.04Å
503	L	96.7	Very high	95.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-73.5	-48.2	174.3	-58.5	170.5	0	0	0	111.9	V460 L464 G499 P500 I501 S505 V506 T513 L514	V460-L503 HydrophobicContact CG1-CB 3.78Å; V460-L503 HydrophobicContact CG1-CD2 3.7Å; V460-L503 HydrophobicContact CG1-CG 4.31Å; V460-L503 HydrophobicContact CG2-CD2 4.17Å; L464-L503 HydrophobicContact CD2-CB 4.08Å; G499-L503 WeakPolarHBondContact O-CG 3.4Å; G499-L503 PolarHBondContact O-N 3.32Å; P500-L503 WeakPolarHBondContact O-CB 3.47Å; P500-L503 PolarHBondContact O-N 3.35Å; I501-L503 VanDerWaalsContact C-N 3.26Å; I501-L503 PolarHBondContact O-N 2.9Å; L503-S505 PolarHBondContact O-N 3.08Å; L503-V506 PolarHBondContact O-N 2.83Å; L503-V506 VanDerWaalsContact O-N 3.16Å; L503-T513 HydrophobicContact CD1-CG2 4.32Å; L503-T513 HydrophobicContact CD2-CG2 4.39Å; L503-L514 VanDerWaalsContact CD1-CA 3.49Å; L503-L514 HydrophobicContact CD1-CB 3.81Å; L503-L514 HydrophobicContact CD1-CD1 4.02Å; L503-L514 HydrophobicContact CD2-CB 4.33Å
504	L	95.9	Very high	95.2	Very high	33 Å²	33	36.8 Å²	36.8	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-43.8	-179.5	179.1	64.9	0	0	0	111.9	Y191 T412 L464 P500 I501 V506	Y191-L504 HydrophobicContact CD2-CD2 4.13Å; Y191-L504 HydrophobicContact CE2-CD2 3.8Å; T412-L504 HydrophobicContact CG2-CD1 3.66Å; L464-L504 HydrophobicContact CD2-CB 4.27Å; L464-L504 HydrophobicContact CD2-CD1 4.45Å; P500-L504 PolarHBondContact O-N 2.87Å; I501-L504 HydrophobicContact CD1-CB 4.21Å; I501-L504 HydrophobicContact CD1-CD2 3.85Å; I501-L504 HydrophobicContact CD1-CG 4.41Å; I501-L504 PolarHBondContact O-N 3.32Å; L504-V506 PolarHBondContact O-N 2.86Å
505	S	96.6	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.7	177.9	62.4	0	0	0	0	113.7	G166 I501 G502 L503 L507	G166-S505 WeakPolarHBondContact CA-O 3.35Å; G166-S505 PolarHBondContact N-O 3.44Å; I501-S505 WeakPolarHBondContact O-CB 3.25Å; I501-S505 PolarHBondContact O-N 2.87Å; I501-S505 PolarHBondContact O-OG 3.37Å; G502-S505 PolarHBondContact O-OG 3.06Å; L503-S505 PolarHBondContact O-N 3.08Å; S505-L507 PolarHBondContact O-N 3.37Å; S505-L507 WeakPolarHBondContact OG-CD1 3.3Å; S505-L507 WeakPolarHBondContact OG-CG 3.38Å
506	V	96.6	Very high	95.3	Very high	8 Å²	8	32.6 Å²	32.6	5%	0.048	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	25.4	-175.9	-154.8	0	0	0	0	112.6	Q164 H457 V461 G502 L503 L504 P509	Q164-V506 HydrophobicContact CB-CG2 4.49Å; H457-V506 HydrophobicContact CB-CG1 3.92Å; V461-V506 HydrophobicContact CG2-CB 4.44Å; V461-V506 HydrophobicContact CG2-CG1 3.91Å; V461-V506 HydrophobicContact CG2-CG2 3.59Å; G502-V506 PolarHBondContact O-N 3.11Å; L503-V506 PolarHBondContact O-N 2.83Å; L503-V506 VanDerWaalsContact O-N 3.16Å; L504-V506 PolarHBondContact O-N 2.86Å; V506-P509 HydrophobicContact CG1-CB 4.34Å; V506-P509 HydrophobicContact CG1-CG 4.41Å
507	L	95	Very high	95.5	Very high	12 Å²	12	33 Å²	33	6%	0.063	20%	0.198	C	C	.	.	S	Bend	trans	-83.1	-34.2	177.7	-68.1	167.7	0	0	0	111.9	P165 R169 P207 Q214 G502 S505	P165-L507 HydrophobicContact CB-CD1 3.78Å; P165-L507 HydrophobicContact CB-CD2 3.76Å; P165-L507 HydrophobicContact CB-CG 3.87Å; P165-L507 HydrophobicContact CG-CD1 4.43Å; R169-L507 PolarHBondContact NH1-O 3.44Å; P207-L507 HydrophobicContact CB-CD1 4.26Å; P207-L507 HydrophobicContact CG-CD1 3.86Å; Q214-L507 HydrophobicContact CB-CD1 3.74Å; Q214-L507 HydrophobicContact CB-CD2 4.32Å; G502-L507 PolarHBondContact O-N 3.38Å; G502-L507 VanDerWaalsContact O-N 3.15Å; S505-L507 PolarHBondContact O-N 3.37Å; S505-L507 WeakPolarHBondContact OG-CD1 3.3Å; S505-L507 WeakPolarHBondContact OG-CG 3.38Å
508	T	93.8	Very high	95.5	Very high	88 Å²	88	33.5 Å²	33.5	54%	0.54	20%	0.199	S	C	.	.	S	Bend	trans	-133	63.3	179.4	49.9	0	0	0	0	110.9	G502 S510	G502-T508 VanDerWaalsContact CA-OG1 3.32Å; G502-T508 WeakPolarHBondContact CA-OG1 3.23Å; G502-T508 PolarHBondContact O-N 3.04Å; T508-S510 PolarHBondContact O-N 3.17Å
509	P	93.9	Very high	95.7	Very high	34 Å²	34	31.9 Å²	31.9	22%	0.221	19%	0.189	C	C	.	.			trans	-71.6	88.5	-175.8	31.3	-35.5	0	0	0	111.7	H457 V460 V506	H457-P509 HydrophobicContact CB-CB 4.46Å; H457-P509 HydrophobicContact CB-CG 4.45Å; V460-P509 HydrophobicContact CB-CB 4.02Å; V460-P509 HydrophobicContact CG1-CB 4.36Å; V460-P509 HydrophobicContact CG2-CB 4.02Å; V506-P509 HydrophobicContact CG1-CB 4.34Å; V506-P509 HydrophobicContact CG1-CG 4.41Å
510	S	95.6	Very high	95.8	Very high	42 Å²	42	33 Å²	33	29%	0.294	20%	0.197	S	C	.	.			trans	-108.9	115.5	176.6	168.6	0	0	0	0	111.7	T508 M512 T513 L514	T508-S510 PolarHBondContact O-N 3.17Å; S510-M512 VanDerWaalsContact C-N 3.32Å; S510-M512 PolarHBondContact O-N 2.84Å; S510-T513 WeakPolarHBondContact CB-OG1 3.28Å; S510-T513 PolarHBondContact O-N 3.4Å; S510-T513 PolarHBondContact OG-N 3.47Å; S510-T513 PolarHBondContact OG-OG1 2.9Å; S510-L514 PolarHBondContact O-N 3.37Å; S510-L514 VanDerWaalsContact O-N 3.12Å
511	P	94.4	Very high	95.9	Very high	27 Å²	27	32.5 Å²	32.5	18%	0.175	19%	0.193	C	C	.	.	H	α-helix	trans	-53.7	-42.6	175.5	-31.7	38.2	0	0	0	114.4	F459 L514 I515	F459-P511 HydrophobicContact CB-CG 4.27Å; F459-P511 HydrophobicContact CD1-CB 3.46Å; F459-P511 VanDerWaalsContact CD1-CB 3.46Å; F459-P511 HydrophobicContact CD1-CG 3.7Å; F459-P511 HydrophobicContact CE1-CB 3.51Å; F459-P511 HydrophobicContact CE1-CG 4.28Å; F459-P511 HydrophobicContact CG-CB 4.12Å; F459-P511 HydrophobicContact CG-CG 4.05Å; F459-P511 HydrophobicContact CZ-CB 4.19Å; P511-L514 PolarHBondContact O-N 2.98Å; P511-I515 WeakPolarHBondContact O-CG1 3.22Å; P511-I515 PolarHBondContact O-N 2.91Å; P511-I515 VanDerWaalsContact O-N 3.08Å
512	M	94.9	Very high	95.9	Very high	143 Å²	143	32.4 Å²	32.4	70%	0.704	19%	0.193	S	C	*	.	H	α-helix	trans	-69.1	-36.8	-178.1	-67.3	-56	-64.3	0	0	112	S510 I515 G516	S510-M512 VanDerWaalsContact C-N 3.32Å; S510-M512 PolarHBondContact O-N 2.84Å; M512-I515 PolarHBondContact O-N 2.98Å; M512-G516 PolarHBondContact O-N 3.49Å
513	T	95.3	Very high	95.9	Very high	55 Å²	55	37.5 Å²	37.5	34%	0.337	22%	0.219	S	C	.	.	H	α-helix	trans	-64.6	-42	175.5	-56.3	0	0	0	0	110.7	L503 S510 G516 H517	L503-T513 HydrophobicContact CD1-CG2 4.32Å; L503-T513 HydrophobicContact CD2-CG2 4.39Å; S510-T513 WeakPolarHBondContact CB-OG1 3.28Å; S510-T513 PolarHBondContact O-N 3.4Å; S510-T513 PolarHBondContact OG-N 3.47Å; S510-T513 PolarHBondContact OG-OG1 2.9Å; T513-G516 PolarHBondContact O-N 2.89Å; T513-H517 PolarHBondContact O-CD2 3.45Å; T513-H517 PolarHBondContact O-N 3.33Å
514	L	96.2	Very high	95.9	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.037	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-50.5	174.9	174.6	60.3	0	0	0	112.2	F459 V463 L464 L503 S510 P511 G516 H517 F518	F459-L514 HydrophobicContact CD1-CD2 4.36Å; F459-L514 HydrophobicContact CE1-CD2 4.07Å; V463-L514 HydrophobicContact CB-CD2 3.82Å; V463-L514 HydrophobicContact CG1-CD2 3.82Å; L464-L514 HydrophobicContact CB-CD1 4.05Å; L464-L514 HydrophobicContact CB-CD2 4.3Å; L464-L514 HydrophobicContact CD1-CD1 3.83Å; L464-L514 HydrophobicContact CG-CD1 4.46Å; L503-L514 VanDerWaalsContact CD1-CA 3.49Å; L503-L514 HydrophobicContact CD1-CB 3.81Å; L503-L514 HydrophobicContact CD1-CD1 4.02Å; L503-L514 HydrophobicContact CD2-CB 4.33Å; S510-L514 PolarHBondContact O-N 3.37Å; S510-L514 VanDerWaalsContact O-N 3.12Å; P511-L514 PolarHBondContact O-N 2.98Å; L514-G516 VanDerWaalsContact C-N 3.31Å; L514-G516 PolarHBondContact O-N 2.86Å; L514-H517 PolarHBondContact O-N 2.88Å; L514-F518 WeakPolarHBondContact O-CB 3.24Å; L514-F518 PolarHBondContact O-N 3.31Å
515	I	95.4	Very high	95.8	Very high	41 Å²	41	37.9 Å²	37.9	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-44.8	179.1	-65.7	168.8	0	0	0	110.1	F459 P511 M512 F518 F519 I560	F459-I515 HydrophobicContact CZ-CD1 4.2Å; F459-I515 HydrophobicContact CZ-CG1 4.49Å; P511-I515 WeakPolarHBondContact O-CG1 3.22Å; P511-I515 PolarHBondContact O-N 2.91Å; P511-I515 VanDerWaalsContact O-N 3.08Å; M512-I515 PolarHBondContact O-N 2.98Å; I515-F518 PolarHBondContact O-N 3.42Å; I515-F519 HydrophobicContact CG2-CD2 3.8Å; I515-F519 HydrophobicContact CG2-CE2 3.98Å; I515-F519 WeakPolarHBondContact O-CD2 3.37Å; I515-F519 PolarHBondContact O-N 2.9Å; I515-I560 HydrophobicContact CD1-CD1 3.84Å; I515-I560 HydrophobicContact CG1-CD1 4Å
516	G	97	Very high	95.7	Very high	43 Å²	43	39.1 Å²	39.1	44%	0.443	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-53	178.7	0	0	0	0	0	112.9	M512 T513 L514 F518 F519 A520	M512-G516 PolarHBondContact O-N 3.49Å; T513-G516 PolarHBondContact O-N 2.89Å; L514-G516 VanDerWaalsContact C-N 3.31Å; L514-G516 PolarHBondContact O-N 2.86Å; G516-F518 PolarHBondContact O-N 2.99Å; G516-F519 PolarHBondContact O-N 3.26Å; G516-A520 WeakPolarHBondContact O-CB 3.47Å; G516-A520 PolarHBondContact O-N 3.48Å
517	H	97.4	Very high	95.6	Very high	31 Å²	31	44.6 Å²	44.6	14%	0.144	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-37.7	179	-76.3	-67.1	0	0	0	112.7	Y489 E495 P500 T513 L514 A520 V521	Y489-H517 AromaticContact CE1-ND1 3.84Å; Y489-H517 AromaticContact CZ-ND1 3.78Å; Y489-H517 PolarHBondContact OH-ND1 3.12Å; E495-H517 PolarHBondContact O-CE1 3.17Å; P500-H517 HydrophobicContact CG-CB 4.3Å; T513-H517 PolarHBondContact O-CD2 3.45Å; T513-H517 PolarHBondContact O-N 3.33Å; L514-H517 PolarHBondContact O-N 2.88Å; H517-A520 WeakPolarHBondContact O-CB 3.46Å; H517-A520 PolarHBondContact O-N 2.62Å; H517-V521 WeakPolarHBondContact O-CG2 3.21Å; H517-V521 PolarHBondContact O-N 3.28Å
518	F	96.7	Very high	95.3	Very high	23 Å²	23	47.3 Å²	47.3	10%	0.101	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-47.1	177.9	-178	-91.5	0	0	0	112	A467 L471 L514 I515 G516 A520 V521 A522 A552 V555 M556	A467-F518 HydrophobicContact CB-CD2 4.33Å; A467-F518 HydrophobicContact CB-CE2 3.97Å; L471-F518 HydrophobicContact CD1-CE2 4.22Å; L514-F518 WeakPolarHBondContact O-CB 3.24Å; L514-F518 PolarHBondContact O-N 3.31Å; I515-F518 PolarHBondContact O-N 3.42Å; G516-F518 PolarHBondContact O-N 2.99Å; F518-A520 VanDerWaalsContact C-N 3.35Å; F518-V521 PolarHBondContact O-N 2.85Å; F518-A522 PolarHBondContact O-N 3.35Å; F518-A522 VanDerWaalsContact O-N 3.1Å; F518-A552 HydrophobicContact CE1-CB 3.87Å; F518-A552 WeakPolarHBondContact CE1-O 3.46Å; F518-A552 HydrophobicContact CZ-CB 4.33Å; F518-V555 HydrophobicContact CZ-CB 4.35Å; F518-V555 HydrophobicContact CZ-CG1 4.25Å; F518-M556 HydrophobicContact CB-CE 3.45Å; F518-M556 VanDerWaalsContact CB-CE 3.45Å; F518-M556 HydrophobicContact CD1-CB 4.09Å; F518-M556 HydrophobicContact CD1-CE 3.36Å; F518-M556 HydrophobicContact CD1-CG 4.23Å; F518-M556 HydrophobicContact CD2-CE 3.35Å; F518-M556 HydrophobicContact CE1-CB 3.66Å; F518-M556 HydrophobicContact CE1-CE 3.86Å; F518-M556 HydrophobicContact CE1-CG 4.31Å; F518-M556 HydrophobicContact CE2-CE 3.84Å; F518-M556 HydrophobicContact CG-CE 3.07Å; F518-M556 HydrophobicContact CZ-CB 4.14Å; F518-M556 HydrophobicContact CZ-CE 4.08Å
519	F	96.4	Very high	95.2	Very high	47 Å²	47	43.3 Å²	43.3	21%	0.206	23%	0.232	C	C	.	.	H	α-helix	trans	-72.5	-28.1	176.7	-78.6	-73	0	0	0	112.6	I515 G516 V521 A522 L523 L549 M556 F557	I515-F519 HydrophobicContact CG2-CD2 3.8Å; I515-F519 HydrophobicContact CG2-CE2 3.98Å; I515-F519 WeakPolarHBondContact O-CD2 3.37Å; I515-F519 PolarHBondContact O-N 2.9Å; G516-F519 PolarHBondContact O-N 3.26Å; F519-V521 VanDerWaalsContact C-N 3.34Å; F519-A522 PolarHBondContact O-N 2.62Å; F519-L523 WeakPolarHBondContact O-CB 3.37Å; F519-L523 VanDerWaalsContact O-CG 3.31Å; F519-L523 WeakPolarHBondContact O-CG 3.24Å; F519-L523 PolarHBondContact O-N 3.21Å; F519-L549 HydrophobicContact CE1-CD1 4.49Å; F519-M556 HydrophobicContact CE2-CG 4.25Å; F519-F557 HydrophobicContact CE2-CE1 4.3Å; F519-F557 AromaticContact CZ-CE1 3.86Å; F519-F557 HydrophobicContact CZ-CE1 3.86Å; F519-F557 HydrophobicContact CZ-CZ 4.27Å
520	A	97.4	Very high	95	Very high	32 Å²	32	45 Å²	45	26%	0.264	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-43	170	0	0	0	0	0	111.5	Y489 G516 H517 F518 L523 Y524	Y489-A520 HydrophobicContact CE2-CB 4.01Å; G516-A520 WeakPolarHBondContact O-CB 3.47Å; G516-A520 PolarHBondContact O-N 3.48Å; H517-A520 WeakPolarHBondContact O-CB 3.46Å; H517-A520 PolarHBondContact O-N 2.62Å; F518-A520 VanDerWaalsContact C-N 3.35Å; A520-L523 PolarHBondContact O-N 3.02Å; A520-Y524 VanDerWaalsContact O-CB 3.28Å; A520-Y524 WeakPolarHBondContact O-CB 3.25Å; A520-Y524 PolarHBondContact O-N 2.84Å
521	V	97	Very high	94.7	Very high	11 Å²	11	49 Å²	49	7%	0.067	25%	0.248	C	C	.	.	H	α-helix	trans	-62.1	-42.1	173.1	170.5	0	0	0	0	111.3	A485 C486 Y489 H517 F518 F519 Y524 A525	A485-V521 HydrophobicContact CB-CG1 4.28Å; C486-V521 HydrophobicContact CB-CG1 3.84Å; Y489-V521 HydrophobicContact CD1-CG2 3.78Å; Y489-V521 HydrophobicContact CD2-CG2 4.22Å; Y489-V521 HydrophobicContact CE1-CG2 4.27Å; Y489-V521 HydrophobicContact CG-CG2 3.75Å; H517-V521 WeakPolarHBondContact O-CG2 3.21Å; H517-V521 PolarHBondContact O-N 3.28Å; F518-V521 PolarHBondContact O-N 2.85Å; F519-V521 VanDerWaalsContact C-N 3.34Å; V521-Y524 PolarHBondContact O-N 3.32Å; V521-A525 PolarHBondContact O-N 3.42Å
522	A	95.8	Very high	94.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-43.5	177.1	0	0	0	0	0	112.5	L482 F518 F519 Y524 A525 I526 A552	L482-A522 HydrophobicContact CD2-CB 3.96Å; F518-A522 PolarHBondContact O-N 3.35Å; F518-A522 VanDerWaalsContact O-N 3.1Å; F519-A522 PolarHBondContact O-N 2.62Å; A522-Y524 VanDerWaalsContact C-N 3.29Å; A522-Y524 PolarHBondContact O-N 2.65Å; A522-A525 WeakPolarHBondContact O-CB 3.29Å; A522-A525 PolarHBondContact O-N 3.35Å; A522-I526 WeakPolarHBondContact O-CG1 3.24Å; A522-I526 PolarHBondContact O-N 3.44Å; A522-A552 HydrophobicContact CB-CB 3.81Å
523	L	96.4	Very high	93.9	Very high	108 Å²	108	47.6 Å²	47.6	57%	0.565	25%	0.248	S	C	*	.	H	α-helix	trans	-65.1	-34.9	174	-69.6	174.5	0	0	0	111.7	F519 A520 I526 Y527	F519-L523 WeakPolarHBondContact O-CB 3.37Å; F519-L523 VanDerWaalsContact O-CG 3.31Å; F519-L523 WeakPolarHBondContact O-CG 3.24Å; F519-L523 PolarHBondContact O-N 3.21Å; A520-L523 PolarHBondContact O-N 3.02Å; L523-I526 HydrophobicContact CD2-CD1 4.36Å; L523-I526 WeakPolarHBondContact O-CB 3.26Å; L523-I526 PolarHBondContact O-N 3Å; L523-Y527 PolarHBondContact O-N 2.83Å
524	Y	96.2	Very high	93.5	Very high	39 Å²	39	48.3 Å²	48.3	15%	0.153	26%	0.255	C	S	.	.	H	α-helix	trans	-69.3	-36.7	176.1	-165.3	-131.6	0	0	0	112.3	A485 L488 Y489 L492 A520 V521 A522 I526 Y527 Y528	A485-Y524 HydrophobicContact CB-CD1 4.47Å; L488-Y524 HydrophobicContact CB-CE1 3.85Å; Y489-Y524 HydrophobicContact CD2-CD1 4.21Å; Y489-Y524 HydrophobicContact CD2-CG 4.49Å; L492-Y524 HydrophobicContact CD1-CE1 4.09Å; L492-Y524 HydrophobicContact CD1-CE2 4.13Å; A520-Y524 VanDerWaalsContact O-CB 3.28Å; A520-Y524 WeakPolarHBondContact O-CB 3.25Å; A520-Y524 PolarHBondContact O-N 2.84Å; V521-Y524 PolarHBondContact O-N 3.32Å; A522-Y524 VanDerWaalsContact C-N 3.29Å; A522-Y524 PolarHBondContact O-N 2.65Å; Y524-I526 VanDerWaalsContact C-N 3.35Å; Y524-Y527 HydrophobicContact CD2-CD1 4.05Å; Y524-Y527 AromaticContact CE2-CD1 3.96Å; Y524-Y527 HydrophobicContact CE2-CD1 3.96Å; Y524-Y527 HydrophobicContact CE2-CE1 4.33Å; Y524-Y527 WeakPolarHBondContact O-CB 3.06Å; Y524-Y527 PolarHBondContact O-N 3.31Å; Y524-Y528 HydrophobicContact CD1-CD2 4.18Å; Y524-Y528 HydrophobicContact CD1-CE2 4.02Å; Y524-Y528 HydrophobicContact CD2-CD2 4.38Å; Y524-Y528 HydrophobicContact CD2-CE2 4.35Å; Y524-Y528 HydrophobicContact CE1-CD2 4Å; Y524-Y528 AromaticContact CE1-CE2 3.38Å; Y524-Y528 HydrophobicContact CE1-CE2 3.38Å; Y524-Y528 HydrophobicContact CE2-CD2 4.17Å; Y524-Y528 AromaticContact CE2-CE2 3.73Å; Y524-Y528 HydrophobicContact CE2-CE2 3.73Å; Y524-Y528 HydrophobicContact CG-CD2 4.38Å; Y524-Y528 HydrophobicContact CG-CE2 4.47Å; Y524-Y528 AromaticContact CZ-CD2 3.98Å; Y524-Y528 AromaticContact CZ-CE2 3.19Å; Y524-Y528 AromaticContact CZ-CZ 3.98Å; Y524-Y528 WeakPolarHBondContact O-CD2 3.42Å; Y524-Y528 PolarHBondContact O-N 3.24Å; Y524-Y528 VanDerWaalsContact OH-CE2 3.27Å; Y524-Y528 WeakPolarHBondContact OH-CE2 3.45Å; Y524-Y528 PolarHBondContact OH-OH 3.27Å; Y524-Y528 VanDerWaalsContact OH-OH 3.14Å
525	A	94.8	Very high	92.9	Very high	4 Å²	4	57.9 Å²	57.9	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-42.4	170.5	0	0	0	0	0	111.8	L482 A485 V521 A522 Y528 S529 I548	L482-A525 HydrophobicContact CD2-CB 4.07Å; A485-A525 HydrophobicContact CB-CB 3.47Å; A485-A525 VanDerWaalsContact CB-CB 3.47Å; V521-A525 PolarHBondContact O-N 3.42Å; A522-A525 WeakPolarHBondContact O-CB 3.29Å; A522-A525 PolarHBondContact O-N 3.35Å; A525-Y528 PolarHBondContact O-N 2.84Å; A525-S529 PolarHBondContact O-N 2.85Å; A525-I548 HydrophobicContact CB-CD1 4.21Å; A525-I548 HydrophobicContact CB-CG2 3.93Å
526	I	94.3	Very high	92.3	Very high	27 Å²	27	65 Å²	65	14%	0.138	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-49.4	174.3	-71.3	167.9	0	0	0	110.3	A522 L523 Y524 Y528 S529 F530 I548 L549	A522-I526 WeakPolarHBondContact O-CG1 3.24Å; A522-I526 PolarHBondContact O-N 3.44Å; L523-I526 HydrophobicContact CD2-CD1 4.36Å; L523-I526 WeakPolarHBondContact O-CB 3.26Å; L523-I526 PolarHBondContact O-N 3Å; Y524-I526 VanDerWaalsContact C-N 3.35Å; I526-Y528 VanDerWaalsContact C-N 3.3Å; I526-Y528 PolarHBondContact O-N 3.37Å; I526-S529 WeakPolarHBondContact O-CB 3.22Å; I526-S529 PolarHBondContact O-N 3.34Å; I526-S529 VanDerWaalsContact O-N 3.11Å; I526-F530 HydrophobicContact CG2-CD2 4.04Å; I526-F530 HydrophobicContact CG2-CE2 4Å; I526-F530 WeakPolarHBondContact O-CD2 3.36Å; I526-F530 PolarHBondContact O-N 2.84Å; I526-I548 HydrophobicContact CG1-CB 4.37Å; I526-I548 HydrophobicContact CG1-CD1 4.44Å; I526-I548 HydrophobicContact CG1-CG2 4.18Å; I526-L549 HydrophobicContact CD1-CB 4.25Å
527	Y	93.8	Very high	91.8	Very high	123 Å²	123	65.5 Å²	65.5	48%	0.482	32%	0.316	S	S	.	.	H	α-helix	trans	-53.7	-47.1	175.7	165.9	-98	0	0	0	111.8	L523 Y524 F530 K531	L523-Y527 PolarHBondContact O-N 2.83Å; Y524-Y527 HydrophobicContact CD2-CD1 4.05Å; Y524-Y527 AromaticContact CE2-CD1 3.96Å; Y524-Y527 HydrophobicContact CE2-CD1 3.96Å; Y524-Y527 HydrophobicContact CE2-CE1 4.33Å; Y524-Y527 WeakPolarHBondContact O-CB 3.06Å; Y524-Y527 PolarHBondContact O-N 3.31Å; Y527-F530 PolarHBondContact O-N 3.49Å; Y527-K531 HydrophobicContact CE1-CD 4.01Å; Y527-K531 WeakPolarHBondContact O-CB 3.21Å; Y527-K531 PolarHBondContact O-N 3.02Å
528	Y	89.8	Confident	91.3	Very high	68 Å²	68	66.9 Å²	66.9	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-65.7	-38.1	177.3	-91.8	-68.1	0	0	0	113.2	L488 Y524 A525 I526 F530 K531 S532	L488-Y528 HydrophobicContact CB-CE2 4.05Å; L488-Y528 HydrophobicContact CD1-CD2 4.13Å; L488-Y528 HydrophobicContact CD1-CE1 4.19Å; L488-Y528 HydrophobicContact CD1-CE2 3.57Å; L488-Y528 HydrophobicContact CG-CE2 4.44Å; Y524-Y528 HydrophobicContact CD1-CD2 4.18Å; Y524-Y528 HydrophobicContact CD1-CE2 4.02Å; Y524-Y528 HydrophobicContact CD2-CD2 4.38Å; Y524-Y528 HydrophobicContact CD2-CE2 4.35Å; Y524-Y528 HydrophobicContact CE1-CD2 4Å; Y524-Y528 AromaticContact CE1-CE2 3.38Å; Y524-Y528 HydrophobicContact CE1-CE2 3.38Å; Y524-Y528 HydrophobicContact CE2-CD2 4.17Å; Y524-Y528 AromaticContact CE2-CE2 3.73Å; Y524-Y528 HydrophobicContact CE2-CE2 3.73Å; Y524-Y528 HydrophobicContact CG-CD2 4.38Å; Y524-Y528 HydrophobicContact CG-CE2 4.47Å; Y524-Y528 AromaticContact CZ-CD2 3.98Å; Y524-Y528 AromaticContact CZ-CE2 3.19Å; Y524-Y528 AromaticContact CZ-CZ 3.98Å; Y524-Y528 WeakPolarHBondContact O-CD2 3.42Å; Y524-Y528 PolarHBondContact O-N 3.24Å; Y524-Y528 VanDerWaalsContact OH-CE2 3.27Å; Y524-Y528 WeakPolarHBondContact OH-CE2 3.45Å; Y524-Y528 PolarHBondContact OH-OH 3.27Å; Y524-Y528 VanDerWaalsContact OH-OH 3.14Å; A525-Y528 PolarHBondContact O-N 2.84Å; I526-Y528 VanDerWaalsContact C-N 3.3Å; I526-Y528 PolarHBondContact O-N 3.37Å; Y528-F530 VanDerWaalsContact C-N 3.26Å; Y528-F530 PolarHBondContact O-N 2.84Å; Y528-K531 HydrophobicContact CD1-CD 4.26Å; Y528-K531 HydrophobicContact CE1-CD 4.22Å; Y528-K531 PolarHBondContact O-N 3.45Å; Y528-K531 VanDerWaalsContact O-N 3.08Å; Y528-S532 WeakPolarHBondContact O-CB 3.35Å; Y528-S532 PolarHBondContact O-N 2.79Å; Y528-S532 PolarHBondContact O-OG 3.45Å; Y528-S532 VanDerWaalsContact O-OG 3.07Å
529	S	89.9	Confident	90.9	Very high	5 Å²	5	70.3 Å²	70.3	4%	0.035	35%	0.346	C	S	.	.	H	α-helix	trans	-59.9	-38.4	174.5	-176.7	0	0	0	0	111.6	A525 I526 S532 E533 T544	A525-S529 PolarHBondContact O-N 2.85Å; I526-S529 WeakPolarHBondContact O-CB 3.22Å; I526-S529 PolarHBondContact O-N 3.34Å; I526-S529 VanDerWaalsContact O-N 3.11Å; S529-S532 PolarHBondContact O-OG 2.84Å; S529-E533 VanDerWaalsContact O-CG 3.25Å; S529-E533 WeakPolarHBondContact O-CG 3.04Å; S529-T544 WeakPolarHBondContact OG-CG2 3.18Å
530	F	89.7	Confident	90.5	Very high	68 Å²	68	76.1 Å²	76.1	30%	0.298	37%	0.366	S	S	.	.	H	α-helix	trans	-69.9	-41.9	171.9	-83.5	-83.3	0	0	0	111.6	I526 Y527 Y528 S532 K538 A541 L542 S545	I526-F530 HydrophobicContact CG2-CD2 4.04Å; I526-F530 HydrophobicContact CG2-CE2 4Å; I526-F530 WeakPolarHBondContact O-CD2 3.36Å; I526-F530 PolarHBondContact O-N 2.84Å; Y527-F530 PolarHBondContact O-N 3.49Å; Y528-F530 VanDerWaalsContact C-N 3.26Å; Y528-F530 PolarHBondContact O-N 2.84Å; F530-S532 PolarHBondContact O-N 3.17Å; F530-K538 HydrophobicContact CD1-CD 4.38Å; F530-K538 PolarHBondContact O-NZ 2.93Å; F530-A541 HydrophobicContact CD1-CB 3.79Å; F530-A541 HydrophobicContact CD2-CB 4.45Å; F530-A541 HydrophobicContact CE1-CB 3.92Å; F530-A541 HydrophobicContact CG-CB 4.08Å; F530-A541 HydrophobicContact CZ-CB 4.31Å; F530-L542 HydrophobicContact CE1-CD2 4.33Å; F530-L542 HydrophobicContact CE1-CG 4.31Å; F530-L542 HydrophobicContact CZ-CD2 3.69Å; F530-L542 HydrophobicContact CZ-CG 4.01Å; F530-S545 WeakPolarHBondContact CE2-OG 3.3Å
531	K	89.6	Confident	90.1	Very high	127 Å²	127	74.6 Å²	74.6	55%	0.552	35%	0.353	S	S	*	.	H	α-helix	trans	-64.9	-37.3	-177.8	-174	177.7	179.1	175.4	0	113.1	Y527 Y528	Y527-K531 HydrophobicContact CE1-CD 4.01Å; Y527-K531 WeakPolarHBondContact O-CB 3.21Å; Y527-K531 PolarHBondContact O-N 3.02Å; Y528-K531 HydrophobicContact CD1-CD 4.26Å; Y528-K531 HydrophobicContact CE1-CD 4.22Å; Y528-K531 PolarHBondContact O-N 3.45Å; Y528-K531 VanDerWaalsContact O-N 3.08Å
532	S	86.1	Confident	89.8	Confident	97 Å²	97	79.5 Å²	79.5	68%	0.678	38%	0.379	S	S	*	.	H	α-helix	trans	-81.2	-21.5	-175.9	61.6	0	0	0	0	114.2	Y528 S529 F530	Y528-S532 WeakPolarHBondContact O-CB 3.35Å; Y528-S532 PolarHBondContact O-N 2.79Å; Y528-S532 PolarHBondContact O-OG 3.45Å; Y528-S532 VanDerWaalsContact O-OG 3.07Å; S529-S532 PolarHBondContact O-OG 2.84Å; F530-S532 PolarHBondContact O-N 3.17Å
533	E	87.6	Confident	89.5	Confident	44 Å²	44	87.4 Å²	87.4	21%	0.206	41%	0.413	C	S	.	.	S	Bend	trans	-81.7	135.6	-177.8	-76.4	-76.9	-175	0	0	112.1	S529 T537 K538 A541	S529-E533 VanDerWaalsContact O-CG 3.25Å; S529-E533 WeakPolarHBondContact O-CG 3.04Å; E533-T537 VanDerWaalsContact OE2-CB 3.29Å; E533-T537 WeakPolarHBondContact OE2-CB 3.46Å; E533-T537 PolarHBondContact OE2-OG1 3.48Å; E533-K538 WeakPolarHBondContact O-CE 3.34Å; E533-A541 HydrophobicContact CB-CB 4.2Å; E533-A541 HydrophobicContact CG-CB 4.01Å
534	S	86.8	Confident	89.2	Confident	69 Å²	69	83.3 Å²	83.3	48%	0.483	39%	0.393	S	S	.	.			trans	-62.9	155.2	174.4	-177.1	0	0	0	0	110.9	F536 T537 K538	S534-F536 PolarHBondContact O-N 3.07Å; S534-T537 PolarHBondContact N-OG1 2.78Å; S534-T537 CarbonylContact O-C 3.5Å; S534-T537 PolarHBondContact O-N 3.41Å; S534-T537 PolarHBondContact O-OG1 3.45Å; S534-K538 PolarHBondContact O-N 3.44Å; S534-K538 VanDerWaalsContact O-N 3.17Å
535	W	82.9	Confident	89	Confident	209 Å²	209	82 Å²	82	79%	0.792	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-54.8	-39.1	-178.3	-169.3	-102.8	0	0	0	112.6	T537 K538	W535-T537 VanDerWaalsContact C-N 3.3Å; W535-T537 PolarHBondContact O-N 3.5Å; W535-K538 HydrophobicContact CE3-CG 4.43Å; W535-K538 WeakPolarHBondContact O-CG 3.26Å
536	F	82.4	Confident	88.9	Confident	191 Å²	191	83.9 Å²	83.9	84%	0.838	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-70.2	-22.9	179.3	-59.7	-76.5	0	0	0	114	S534	S534-F536 PolarHBondContact O-N 3.07Å
537	T	87.9	Confident	88.9	Confident	53 Å²	53	84 Å²	84	33%	0.325	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-107.8	9.6	-178.1	54.7	0	0	0	0	113	E533 S534 W535 P539 R540	E533-T537 VanDerWaalsContact OE2-CB 3.29Å; E533-T537 WeakPolarHBondContact OE2-CB 3.46Å; E533-T537 PolarHBondContact OE2-OG1 3.48Å; S534-T537 PolarHBondContact N-OG1 2.78Å; S534-T537 CarbonylContact O-C 3.5Å; S534-T537 PolarHBondContact O-N 3.41Å; S534-T537 PolarHBondContact O-OG1 3.45Å; W535-T537 VanDerWaalsContact C-N 3.3Å; W535-T537 PolarHBondContact O-N 3.5Å; T537-P539 VanDerWaalsContact C-N 3.3Å; T537-P539 VanDerWaalsContact O-N 3.17Å; T537-R540 WeakPolarHBondContact O-CA 3.33Å; T537-R540 WeakPolarHBondContact O-CB 3.1Å; T537-R540 PolarHBondContact O-N 2.9Å
538	K	85.3	Confident	88.9	Confident	59 Å²	59	78.1 Å²	78.1	26%	0.257	39%	0.391	S	S	.	.	H	α-helix	trans	-51.1	-35.9	176.8	-72.8	-71.2	-179.1	177.6	0	115.4	F530 E533 S534 W535 R540 A541 L542	F530-K538 HydrophobicContact CD1-CD 4.38Å; F530-K538 PolarHBondContact O-NZ 2.93Å; E533-K538 WeakPolarHBondContact O-CE 3.34Å; S534-K538 PolarHBondContact O-N 3.44Å; S534-K538 VanDerWaalsContact O-N 3.17Å; W535-K538 HydrophobicContact CE3-CG 4.43Å; W535-K538 WeakPolarHBondContact O-CG 3.26Å; K538-R540 PolarHBondContact O-N 3.46Å; K538-A541 VanDerWaalsContact O-CB 3.24Å; K538-A541 WeakPolarHBondContact O-CB 3.28Å; K538-A541 PolarHBondContact O-N 2.82Å; K538-L542 PolarHBondContact O-N 3.4Å
539	P	89.6	Confident	89.2	Confident	95 Å²	95	77.7 Å²	77.7	62%	0.617	39%	0.393	S	S	*	.	H	α-helix	trans	-58.7	-29	173.1	-26.7	36.4	0	0	0	113.5	T537 A541 L542 F543	T537-P539 VanDerWaalsContact C-N 3.3Å; T537-P539 VanDerWaalsContact O-N 3.17Å; P539-A541 VanDerWaalsContact C-N 3.34Å; P539-L542 WeakPolarHBondContact O-CB 3.13Å; P539-L542 PolarHBondContact O-N 3.33Å; P539-F543 PolarHBondContact O-N 2.99Å
540	R	87.8	Confident	89.4	Confident	169 Å²	169	83.2 Å²	83.2	64%	0.638	41%	0.414	S	S	*	.	H	α-helix	trans	-66.5	-37.1	174.2	-155.3	-178.1	-170.8	170.7	2.1	111.6	T537 K538 L542 F543 T544	T537-R540 WeakPolarHBondContact O-CA 3.33Å; T537-R540 WeakPolarHBondContact O-CB 3.1Å; T537-R540 PolarHBondContact O-N 2.9Å; K538-R540 PolarHBondContact O-N 3.46Å; R540-L542 VanDerWaalsContact C-N 3.27Å; R540-L542 PolarHBondContact O-N 3.4Å; R540-F543 PolarHBondContact O-N 3.18Å; R540-F543 VanDerWaalsContact O-N 3.17Å; R540-T544 PolarHBondContact O-N 3.21Å; R540-T544 PolarHBondContact O-OG1 3.42Å; R540-T544 VanDerWaalsContact O-OG1 3.04Å
541	A	88.8	Confident	89.6	Confident	0 Å²	0	84.2 Å²	84.2	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-59.8	-36.6	174.9	0	0	0	0	0	112.1	F530 E533 K538 P539 T544 S545	F530-A541 HydrophobicContact CD1-CB 3.79Å; F530-A541 HydrophobicContact CD2-CB 4.45Å; F530-A541 HydrophobicContact CE1-CB 3.92Å; F530-A541 HydrophobicContact CG-CB 4.08Å; F530-A541 HydrophobicContact CZ-CB 4.31Å; E533-A541 HydrophobicContact CB-CB 4.2Å; E533-A541 HydrophobicContact CG-CB 4.01Å; K538-A541 VanDerWaalsContact O-CB 3.24Å; K538-A541 WeakPolarHBondContact O-CB 3.28Å; K538-A541 PolarHBondContact O-N 2.82Å; P539-A541 VanDerWaalsContact C-N 3.34Å; A541-T544 PolarHBondContact O-N 2.77Å; A541-S545 VanDerWaalsContact O-CB 3.22Å; A541-S545 WeakPolarHBondContact O-CB 3.37Å; A541-S545 PolarHBondContact O-N 3.14Å; A541-S545 PolarHBondContact O-OG 3.46Å
542	L	89.9	Confident	89.8	Confident	115 Å²	115	78.2 Å²	78.2	60%	0.602	39%	0.39	S	S	*	.	H	α-helix	trans	-62.1	-45.9	175	-73.7	164.6	0	0	0	111.5	F530 K538 P539 R540 S545 G546	F530-L542 HydrophobicContact CE1-CD2 4.33Å; F530-L542 HydrophobicContact CE1-CG 4.31Å; F530-L542 HydrophobicContact CZ-CD2 3.69Å; F530-L542 HydrophobicContact CZ-CG 4.01Å; K538-L542 PolarHBondContact O-N 3.4Å; P539-L542 WeakPolarHBondContact O-CB 3.13Å; P539-L542 PolarHBondContact O-N 3.33Å; R540-L542 VanDerWaalsContact C-N 3.27Å; R540-L542 PolarHBondContact O-N 3.4Å; L542-S545 PolarHBondContact O-N 3.33Å; L542-G546 PolarHBondContact O-N 3.21Å
543	F	89.8	Confident	90.2	Very high	165 Å²	165	75 Å²	75	72%	0.724	37%	0.367	S	S	*	.	H	α-helix	trans	-63.5	-48.1	177.5	-176.9	-94.6	0	0	0	111.7	P539 R540 S545 G546 A547	P539-F543 PolarHBondContact O-N 2.99Å; R540-F543 PolarHBondContact O-N 3.18Å; R540-F543 VanDerWaalsContact O-N 3.17Å; F543-S545 VanDerWaalsContact C-N 3.29Å; F543-S545 PolarHBondContact O-N 2.9Å; F543-G546 PolarHBondContact O-N 3.08Å; F543-A547 PolarHBondContact O-N 3.17Å
544	T	90.4	Very high	90.5	Very high	23 Å²	23	75.2 Å²	75.2	14%	0.141	37%	0.371	C	S	.	.	H	α-helix	trans	-58.9	-41.1	176.4	-55.7	0	0	0	0	111.3	S529 R540 A541 A547 I548	S529-T544 WeakPolarHBondContact OG-CG2 3.18Å; R540-T544 PolarHBondContact O-N 3.21Å; R540-T544 PolarHBondContact O-OG1 3.42Å; R540-T544 VanDerWaalsContact O-OG1 3.04Å; A541-T544 PolarHBondContact O-N 2.77Å; T544-A547 WeakPolarHBondContact O-CB 3.33Å; T544-A547 PolarHBondContact O-N 3.33Å; T544-A547 VanDerWaalsContact O-N 3.17Å; T544-I548 HydrophobicContact CG2-CD1 4.04Å; T544-I548 HydrophobicContact CG2-CG1 4.46Å; T544-I548 WeakPolarHBondContact O-CG1 3.24Å; T544-I548 PolarHBondContact O-N 3.14Å
545	S	92.6	Very high	90.8	Very high	11 Å²	11	72.9 Å²	72.9	8%	0.077	35%	0.354	C	S	.	.	H	α-helix	trans	-63.5	-43.1	177.8	-61	0	0	0	0	112.3	F530 A541 L542 F543 A547 I548 L549	F530-S545 WeakPolarHBondContact CE2-OG 3.3Å; A541-S545 VanDerWaalsContact O-CB 3.22Å; A541-S545 WeakPolarHBondContact O-CB 3.37Å; A541-S545 PolarHBondContact O-N 3.14Å; A541-S545 PolarHBondContact O-OG 3.46Å; L542-S545 PolarHBondContact O-N 3.33Å; F543-S545 VanDerWaalsContact C-N 3.29Å; F543-S545 PolarHBondContact O-N 2.9Å; S545-A547 VanDerWaalsContact C-N 3.31Å; S545-A547 PolarHBondContact O-N 2.9Å; S545-I548 PolarHBondContact O-N 3.47Å; S545-L549 WeakPolarHBondContact O-CB 3.19Å; S545-L549 PolarHBondContact O-N 2.88Å
546	G	93.1	Very high	91.3	Very high	43 Å²	43	62.9 Å²	62.9	44%	0.443	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-41.2	172.6	0	0	0	0	0	112.1	L542 F543 L549 Y550	L542-G546 PolarHBondContact O-N 3.21Å; F543-G546 PolarHBondContact O-N 3.08Å; G546-L549 PolarHBondContact O-N 2.82Å; G546-Y550 VanDerWaalsContact O-CB 3.23Å; G546-Y550 WeakPolarHBondContact O-CB 3.36Å; G546-Y550 PolarHBondContact O-N 2.87Å
547	A	93.9	Very high	91.9	Very high	29 Å²	29	57 Å²	57	24%	0.24	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-41.6	177.4	0	0	0	0	0	112.9	F543 T544 S545 R551	F543-A547 PolarHBondContact O-N 3.17Å; T544-A547 WeakPolarHBondContact O-CB 3.33Å; T544-A547 PolarHBondContact O-N 3.33Å; T544-A547 VanDerWaalsContact O-N 3.17Å; S545-A547 VanDerWaalsContact C-N 3.31Å; S545-A547 PolarHBondContact O-N 2.9Å; A547-R551 WeakPolarHBondContact O-CB 3.5Å; A547-R551 WeakPolarHBondContact O-CG 3.48Å; A547-R551 PolarHBondContact O-N 3.44Å
548	I	94.1	Very high	92.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-51.5	173.7	-70.6	161.4	0	0	0	109.9	Q481 L482 A525 I526 T544 S545 R551 A552	Q481-I548 HydrophobicContact CB-CD1 4.47Å; Q481-I548 HydrophobicContact CB-CG1 4.48Å; Q481-I548 VanDerWaalsContact OE1-CD1 3.28Å; L482-I548 HydrophobicContact CD2-CG2 3.75Å; L482-I548 HydrophobicContact CG-CG2 4.08Å; A525-I548 HydrophobicContact CB-CD1 4.21Å; A525-I548 HydrophobicContact CB-CG2 3.93Å; I526-I548 HydrophobicContact CG1-CB 4.37Å; I526-I548 HydrophobicContact CG1-CD1 4.44Å; I526-I548 HydrophobicContact CG1-CG2 4.18Å; T544-I548 HydrophobicContact CG2-CD1 4.04Å; T544-I548 HydrophobicContact CG2-CG1 4.46Å; T544-I548 WeakPolarHBondContact O-CG1 3.24Å; T544-I548 PolarHBondContact O-N 3.14Å; S545-I548 PolarHBondContact O-N 3.47Å; I548-R551 PolarHBondContact O-N 3.49Å; I548-A552 WeakPolarHBondContact O-CB 3.44Å; I548-A552 PolarHBondContact O-N 3.49Å
549	L	94.8	Very high	92.6	Very high	59 Å²	59	56 Å²	56	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-64.2	-44.6	-177.3	-174.8	60.6	0	0	0	111.4	F519 I526 S545 G546 R551 A552 C553	F519-L549 HydrophobicContact CE1-CD1 4.49Å; I526-L549 HydrophobicContact CD1-CB 4.25Å; S545-L549 WeakPolarHBondContact O-CB 3.19Å; S545-L549 PolarHBondContact O-N 2.88Å; G546-L549 PolarHBondContact O-N 2.82Å; L549-R551 VanDerWaalsContact C-N 3.31Å; L549-R551 PolarHBondContact O-N 2.96Å; L549-A552 PolarHBondContact O-N 3.3Å; L549-C553 PolarHBondContact O-N 3.2Å; L549-C553 PolarHBondContact O-SG 2.86Å; L549-C553 VanDerWaalsContact O-SG 3.33Å
550	Y	94.6	Very high	92.7	Very high	121 Å²	121	53.1 Å²	53.1	48%	0.475	27%	0.269	S	S	.	.	H	α-helix	trans	-55.8	-48.3	173.9	177.2	-100.8	0	0	0	110.6	G546 C553 T554	G546-Y550 VanDerWaalsContact O-CB 3.23Å; G546-Y550 WeakPolarHBondContact O-CB 3.36Å; G546-Y550 PolarHBondContact O-N 2.87Å; Y550-C553 PolarHBondContact O-N 3.48Å; Y550-T554 HydrophobicContact CD1-CG2 4.14Å; Y550-T554 HydrophobicContact CD2-CG2 4.4Å; Y550-T554 HydrophobicContact CE1-CG2 3.71Å; Y550-T554 HydrophobicContact CE2-CG2 4Å; Y550-T554 HydrophobicContact CG-CG2 4.46Å; Y550-T554 WeakPolarHBondContact O-CG2 3.32Å; Y550-T554 PolarHBondContact O-N 3.03Å; Y550-T554 PolarHBondContact O-OG1 3.48Å
551	R	93.6	Very high	92.9	Very high	90 Å²	90	52.1 Å²	52.1	34%	0.34	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-45.2	178.9	-80.4	-52.9	-138	-174.1	7.1	112.9	D476 A547 I548 L549 C553 T554 V555	D476-R551 IonicContact OD1-NE 2.82Å; D476-R551 IonicContact OD2-CZ 2.78Å; D476-R551 IonicContact OD2-NE 2.68Å; D476-R551 PolarHBondContact OD2-NE 3.41Å; D476-R551 IonicContact OD2-NH2 3.8Å; D476-R551 PolarHBondContact OD2-NH2 2.84Å; A547-R551 WeakPolarHBondContact O-CB 3.5Å; A547-R551 WeakPolarHBondContact O-CG 3.48Å; A547-R551 PolarHBondContact O-N 3.44Å; I548-R551 PolarHBondContact O-N 3.49Å; L549-R551 VanDerWaalsContact C-N 3.31Å; L549-R551 PolarHBondContact O-N 2.96Å; R551-C553 VanDerWaalsContact C-N 3.31Å; R551-C553 PolarHBondContact O-N 3.45Å; R551-T554 WeakPolarHBondContact CA-OG1 3.4Å; R551-T554 PolarHBondContact O-N 3.06Å; R551-T554 VanDerWaalsContact O-N 3.12Å; R551-T554 PolarHBondContact O-OG1 3.19Å; R551-V555 WeakPolarHBondContact O-CG2 3.41Å; R551-V555 PolarHBondContact O-N 3.46Å
552	A	94	Very high	93	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.1	-46.7	175.3	0	0	0	0	0	111.5	L482 F518 A522 I548 L549 V555 M556	L482-A552 HydrophobicContact CD1-CB 4.3Å; F518-A552 HydrophobicContact CE1-CB 3.87Å; F518-A552 WeakPolarHBondContact CE1-O 3.46Å; F518-A552 HydrophobicContact CZ-CB 4.33Å; A522-A552 HydrophobicContact CB-CB 3.81Å; I548-A552 WeakPolarHBondContact O-CB 3.44Å; I548-A552 PolarHBondContact O-N 3.49Å; L549-A552 PolarHBondContact O-N 3.3Å; A552-V555 PolarHBondContact O-N 2.91Å; A552-M556 WeakPolarHBondContact O-CB 3.5Å; A552-M556 PolarHBondContact O-N 3.42Å
553	C	95.1	Very high	93	Very high	30 Å²	30	47.4 Å²	47.4	20%	0.203	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-41.8	175.7	-67.5	0	0	0	0	112.6	L549 Y550 R551 V555 M556 F557	L549-C553 PolarHBondContact O-N 3.2Å; L549-C553 PolarHBondContact O-SG 2.86Å; L549-C553 VanDerWaalsContact O-SG 3.33Å; Y550-C553 PolarHBondContact O-N 3.48Å; R551-C553 VanDerWaalsContact C-N 3.31Å; R551-C553 PolarHBondContact O-N 3.45Å; C553-V555 VanDerWaalsContact C-N 3.25Å; C553-V555 PolarHBondContact O-N 2.86Å; C553-M556 PolarHBondContact O-N 2.84Å; C553-F557 HydrophobicContact CB-CD2 4.21Å; C553-F557 HydrophobicContact CB-CE2 4.03Å; C553-F557 HydrophobicContact CB-CZ 4.42Å; C553-F557 WeakPolarHBondContact O-CB 3.18Å; C553-F557 PolarHBondContact O-N 3.07Å
554	T	93.6	Very high	92.9	Very high	49 Å²	49	44.2 Å²	44.2	30%	0.301	23%	0.229	S	C	.	.	H	α-helix	trans	-67.5	-23.8	178.8	59.1	0	0	0	0	113.7	Y550 R551 P558	Y550-T554 HydrophobicContact CD1-CG2 4.14Å; Y550-T554 HydrophobicContact CD2-CG2 4.4Å; Y550-T554 HydrophobicContact CE1-CG2 3.71Å; Y550-T554 HydrophobicContact CE2-CG2 4Å; Y550-T554 HydrophobicContact CG-CG2 4.46Å; Y550-T554 WeakPolarHBondContact O-CG2 3.32Å; Y550-T554 PolarHBondContact O-N 3.03Å; Y550-T554 PolarHBondContact O-OG1 3.48Å; R551-T554 WeakPolarHBondContact CA-OG1 3.4Å; R551-T554 PolarHBondContact O-N 3.06Å; R551-T554 VanDerWaalsContact O-N 3.12Å; R551-T554 PolarHBondContact O-OG1 3.19Å; T554-P558 VanDerWaalsContact O-CD 3.24Å; T554-P558 WeakPolarHBondContact O-CD 3.43Å; T554-P558 VanDerWaalsContact O-CG 3.28Å; T554-P558 WeakPolarHBondContact O-CG 3.25Å
555	V	93.3	Very high	92.4	Very high	19 Å²	19	47.9 Å²	47.9	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-80.3	-51.2	171.7	172.4	0	0	0	0	110	A467 E470 L479 F518 R551 A552 C553 L559	A467-V555 HydrophobicContact CB-CG1 4.05Å; E470-V555 HydrophobicContact CB-CG1 4.37Å; E470-V555 HydrophobicContact CB-CG2 4.48Å; L479-V555 HydrophobicContact CD2-CG2 3.94Å; F518-V555 HydrophobicContact CZ-CB 4.35Å; F518-V555 HydrophobicContact CZ-CG1 4.25Å; R551-V555 WeakPolarHBondContact O-CG2 3.41Å; R551-V555 PolarHBondContact O-N 3.46Å; A552-V555 PolarHBondContact O-N 2.91Å; C553-V555 VanDerWaalsContact C-N 3.25Å; C553-V555 PolarHBondContact O-N 2.86Å; V555-L559 HydrophobicContact CG1-CD1 4.26Å; V555-L559 WeakPolarHBondContact O-CD1 3.4Å; V555-L559 VanDerWaalsContact O-CG 3.29Å; V555-L559 WeakPolarHBondContact O-CG 3.4Å
556	M	93.8	Very high	91.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-74.4	-47.6	-169.1	-175.8	56.2	73.1	0	0	113.6	V463 A467 F518 F519 A552 C553 L559 I560	V463-M556 HydrophobicContact CG1-CE 4.2Å; V463-M556 HydrophobicContact CG1-SD 3.52Å; V463-M556 VanDerWaalsContact CG1-SD 3.52Å; A467-M556 HydrophobicContact CB-CE 4.41Å; F518-M556 HydrophobicContact CB-CE 3.45Å; F518-M556 VanDerWaalsContact CB-CE 3.45Å; F518-M556 HydrophobicContact CD1-CB 4.09Å; F518-M556 HydrophobicContact CD1-CE 3.36Å; F518-M556 HydrophobicContact CD1-CG 4.23Å; F518-M556 HydrophobicContact CD2-CE 3.35Å; F518-M556 HydrophobicContact CE1-CB 3.66Å; F518-M556 HydrophobicContact CE1-CE 3.86Å; F518-M556 HydrophobicContact CE1-CG 4.31Å; F518-M556 HydrophobicContact CE2-CE 3.84Å; F518-M556 HydrophobicContact CG-CE 3.07Å; F518-M556 HydrophobicContact CZ-CB 4.14Å; F518-M556 HydrophobicContact CZ-CE 4.08Å; F519-M556 HydrophobicContact CE2-CG 4.25Å; A552-M556 WeakPolarHBondContact O-CB 3.5Å; A552-M556 PolarHBondContact O-N 3.42Å; C553-M556 PolarHBondContact O-N 2.84Å; M556-L559 PolarHBondContact O-N 3.37Å; M556-I560 HydrophobicContact CG-CD1 3.61Å; M556-I560 HydrophobicContact CG-CG1 4.1Å; M556-I560 WeakPolarHBondContact O-CG1 3.23Å; M556-I560 PolarHBondContact O-N 3.23Å; M556-I560 HydrophobicContact SD-CD1 3.84Å; M556-I560 HydrophobicContact SD-CG1 3.84Å
557	F	94.7	Very high	89.8	Confident	67 Å²	67	54.2 Å²	54.2	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-41.5	-171.1	-67.4	-11.5	0	0	0	114.4	L36 F519 C553 L559 I560 Y561	L36-F557 HydrophobicContact CD2-CE2 3.88Å; L36-F557 HydrophobicContact CD2-CZ 3.47Å; L36-F557 VanDerWaalsContact CD2-CZ 3.47Å; F519-F557 HydrophobicContact CE2-CE1 4.3Å; F519-F557 AromaticContact CZ-CE1 3.86Å; F519-F557 HydrophobicContact CZ-CE1 3.86Å; F519-F557 HydrophobicContact CZ-CZ 4.27Å; C553-F557 HydrophobicContact CB-CD2 4.21Å; C553-F557 HydrophobicContact CB-CE2 4.03Å; C553-F557 HydrophobicContact CB-CZ 4.42Å; C553-F557 WeakPolarHBondContact O-CB 3.18Å; C553-F557 PolarHBondContact O-N 3.07Å; F557-L559 VanDerWaalsContact C-N 3.28Å; F557-L559 PolarHBondContact O-N 3.25Å; F557-I560 HydrophobicContact CD1-CD1 4.48Å; F557-I560 PolarHBondContact O-N 2.64Å; F557-Y561 WeakPolarHBondContact O-CB 3.46Å; F557-Y561 PolarHBondContact O-N 2.95Å
558	P	93.5	Very high	88	Confident	72 Å²	72	53.9 Å²	53.9	47%	0.468	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-36.1	174.5	-25.4	37.2	0	0	0	112.9	T554 Y561 S562	T554-P558 VanDerWaalsContact O-CD 3.24Å; T554-P558 WeakPolarHBondContact O-CD 3.43Å; T554-P558 VanDerWaalsContact O-CG 3.28Å; T554-P558 WeakPolarHBondContact O-CG 3.25Å; P558-Y561 PolarHBondContact O-N 3.47Å; P558-S562 WeakPolarHBondContact O-CB 3.34Å; P558-S562 PolarHBondContact O-N 3Å
559	L	93.4	Very high	86.2	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-46.4	178	-65.5	174.6	0	0	0	111.4	F387 V463 Q466 A467 V555 M556 F557 Y561 S562 E563	F387-L559 HydrophobicContact CE1-CD2 4.49Å; F387-L559 HydrophobicContact CZ-CD2 4.19Å; V463-L559 HydrophobicContact CG1-CB 4.07Å; V463-L559 HydrophobicContact CG1-CD1 4.5Å; V463-L559 HydrophobicContact CG2-CB 4.24Å; Q466-L559 HydrophobicContact CB-CD1 3.68Å; Q466-L559 HydrophobicContact CB-CD2 3.52Å; Q466-L559 HydrophobicContact CB-CG 4.26Å; Q466-L559 HydrophobicContact CG-CD2 3.93Å; A467-L559 HydrophobicContact CB-CD1 3.91Å; V555-L559 HydrophobicContact CG1-CD1 4.26Å; V555-L559 WeakPolarHBondContact O-CD1 3.4Å; V555-L559 VanDerWaalsContact O-CG 3.29Å; V555-L559 WeakPolarHBondContact O-CG 3.4Å; M556-L559 PolarHBondContact O-N 3.37Å; F557-L559 VanDerWaalsContact C-N 3.28Å; F557-L559 PolarHBondContact O-N 3.25Å; L559-Y561 VanDerWaalsContact C-N 3.33Å; L559-Y561 PolarHBondContact O-N 3.12Å; L559-S562 WeakPolarHBondContact O-CB 3.22Å; L559-S562 PolarHBondContact O-N 3.43Å; L559-S562 VanDerWaalsContact O-N 3.15Å; L559-S562 PolarHBondContact O-OG 3.48Å; L559-E563 PolarHBondContact O-N 3.49Å
560	I	93.2	Very high	85.8	Confident	34 Å²	34	63.5 Å²	63.5	17%	0.174	29%	0.291	C	S	.	.	H	α-helix	trans	-57	-49.6	173.3	-66.1	179	0	0	0	110.1	F459 I515 M556 F557 S562 E563 F564	F459-I560 HydrophobicContact CE2-CB 4.35Å; F459-I560 HydrophobicContact CE2-CG1 4.18Å; F459-I560 HydrophobicContact CE2-CG2 4.11Å; F459-I560 HydrophobicContact CZ-CG1 3.88Å; F459-I560 HydrophobicContact CZ-CG2 4.44Å; I515-I560 HydrophobicContact CD1-CD1 3.84Å; I515-I560 HydrophobicContact CG1-CD1 4Å; M556-I560 HydrophobicContact CG-CD1 3.61Å; M556-I560 HydrophobicContact CG-CG1 4.1Å; M556-I560 WeakPolarHBondContact O-CG1 3.23Å; M556-I560 PolarHBondContact O-N 3.23Å; M556-I560 HydrophobicContact SD-CD1 3.84Å; M556-I560 HydrophobicContact SD-CG1 3.84Å; F557-I560 HydrophobicContact CD1-CD1 4.48Å; F557-I560 PolarHBondContact O-N 2.64Å; I560-S562 PolarHBondContact O-N 2.94Å; I560-E563 PolarHBondContact O-N 3.46Å; I560-F564 HydrophobicContact CG2-CD2 4.05Å; I560-F564 HydrophobicContact CG2-CE2 4.34Å; I560-F564 WeakPolarHBondContact O-CD2 3.45Å; I560-F564 PolarHBondContact O-N 3.45Å
561	Y	91.8	Very high	85.3	Confident	148 Å²	148	60.5 Å²	60.5	58%	0.58	28%	0.281	S	S	*	.	H	α-helix	trans	-59.2	-38	179	-179.7	-104.6	0	0	0	111.6	F557 P558 L559 E563 F564 K565	F557-Y561 WeakPolarHBondContact O-CB 3.46Å; F557-Y561 PolarHBondContact O-N 2.95Å; P558-Y561 PolarHBondContact O-N 3.47Å; L559-Y561 VanDerWaalsContact C-N 3.33Å; L559-Y561 PolarHBondContact O-N 3.12Å; Y561-E563 VanDerWaalsContact C-N 3.28Å; Y561-E563 PolarHBondContact O-N 2.99Å; Y561-F564 CarbonylContact O-C 3.58Å; Y561-F564 PolarHBondContact O-N 3.26Å; Y561-F564 VanDerWaalsContact O-N 3.12Å; Y561-K565 HydrophobicContact CE1-CB 4.24Å; Y561-K565 HydrophobicContact CE1-CD 4.12Å; Y561-K565 HydrophobicContact CE1-CG 3.97Å; Y561-K565 WeakPolarHBondContact O-CA 3.3Å; Y561-K565 WeakPolarHBondContact O-CB 3.44Å; Y561-K565 PolarHBondContact O-N 3.47Å
562	S	90.5	Very high	84.8	Confident	16 Å²	16	58.8 Å²	58.8	11%	0.112	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-32.3	179.8	79.4	0	0	0	0	113.7	P558 L559 I560	P558-S562 WeakPolarHBondContact O-CB 3.34Å; P558-S562 PolarHBondContact O-N 3Å; L559-S562 WeakPolarHBondContact O-CB 3.22Å; L559-S562 PolarHBondContact O-N 3.43Å; L559-S562 VanDerWaalsContact O-N 3.15Å; L559-S562 PolarHBondContact O-OG 3.48Å; I560-S562 PolarHBondContact O-N 2.94Å
563	E	90.1	Very high	84.3	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-76.6	-32.1	175.3	-68.6	-65.6	131.2	0	0	112.1	P390 K454 S458 F459 N462 V463 L559 I560 Y561	P390-E563 WeakPolarHBondContact CD-OE1 3.5Å; K454-E563 VanDerWaalsContact CD-O 3.29Å; K454-E563 WeakPolarHBondContact CD-O 3.24Å; K454-E563 WeakPolarHBondContact CE-O 3.48Å; K454-E563 PolarHBondContact NZ-O 3.27Å; S458-E563 PolarHBondContact OG-OE2 2.8Å; F459-E563 HydrophobicContact CD2-CB 3.81Å; F459-E563 HydrophobicContact CD2-CG 3.97Å; F459-E563 HydrophobicContact CE2-CB 4.45Å; N462-E563 VanDerWaalsContact CB-OE1 3.25Å; N462-E563 WeakPolarHBondContact CB-OE1 3.34Å; N462-E563 PolarHBondContact ND2-OE1 2.98Å; V463-E563 HydrophobicContact CG2-CG 3.98Å; L559-E563 PolarHBondContact O-N 3.49Å; I560-E563 PolarHBondContact O-N 3.46Å; Y561-E563 VanDerWaalsContact C-N 3.28Å; Y561-E563 PolarHBondContact O-N 2.99Å
564	F	86.1	Confident	83.6	Confident	98 Å²	98	64.3 Å²	64.3	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-96.1	-7.1	-178.7	-72.5	-72.6	0	0	0	115	F459 I560 Y561 Y566	F459-F564 HydrophobicContact CD2-CD2 4.48Å; F459-F564 AromaticContact CD2-CE2 3.76Å; F459-F564 HydrophobicContact CD2-CE2 3.76Å; F459-F564 HydrophobicContact CD2-CZ 4.35Å; F459-F564 HydrophobicContact CE2-CD2 4.22Å; F459-F564 AromaticContact CE2-CE2 3.55Å; F459-F564 HydrophobicContact CE2-CE2 3.55Å; F459-F564 HydrophobicContact CE2-CZ 4.46Å; I560-F564 HydrophobicContact CG2-CD2 4.05Å; I560-F564 HydrophobicContact CG2-CE2 4.34Å; I560-F564 WeakPolarHBondContact O-CD2 3.45Å; I560-F564 PolarHBondContact O-N 3.45Å; Y561-F564 CarbonylContact O-C 3.58Å; Y561-F564 PolarHBondContact O-N 3.26Å; Y561-F564 VanDerWaalsContact O-N 3.12Å; F564-Y566 PolarHBondContact O-N 3.03Å
565	K	80.6	Confident	83	Confident	100 Å²	100	65.3 Å²	65.3	44%	0.435	30%	0.3	S	S	.	.	S	Bend	trans	-52	-34.8	-171.6	-178	175.3	178.7	-166.3	0	114	Y561	Y561-K565 HydrophobicContact CE1-CB 4.24Å; Y561-K565 HydrophobicContact CE1-CD 4.12Å; Y561-K565 HydrophobicContact CE1-CG 3.97Å; Y561-K565 WeakPolarHBondContact O-CA 3.3Å; Y561-K565 WeakPolarHBondContact O-CB 3.44Å; Y561-K565 PolarHBondContact O-N 3.47Å
566	Y	70.6	Confident	82.2	Confident	73 Å²	73	68.6 Å²	68.6	29%	0.286	31%	0.313	S	S	.	.			trans	-119.7	126.8	-172.3	-60.8	-71.7	0	0	0	112.3	P392 K454 F564	P392-Y566 HydrophobicContact CG-CG 4.21Å; K454-Y566 PolarHBondContact NZ-O 3.02Å; F564-Y566 PolarHBondContact O-N 3.03Å
567	L	60.7	Low	81.3	Confident	113 Å²	113	73.9 Å²	73.9	59%	0.592	34%	0.337	S	S	*	.			trans	-89.4	140.8	157.9	-65.1	168.2	0	0	0	107.7	Y569	L567-Y569 WeakPolarHBondContact O-CD2 3.39Å; L567-Y569 WeakPolarHBondContact O-CE2 3.45Å
568	V	56	Low	80.2	Confident	23 Å²	23	74.5 Å²	74.5	14%	0.139	34%	0.341	C	S	.	.			trans	-76.2	124.9	174.3	179.6	0	0	0	0	107.5	P392 L443 K447 H450	P392-V568 HydrophobicContact CB-CG2 4.13Å; P392-V568 HydrophobicContact CG-CG2 4.17Å; L443-V568 HydrophobicContact CD1-CG1 4.43Å; K447-V568 HydrophobicContact CD-CG1 4.49Å; K447-V568 WeakPolarHBondContact CE-O 3.29Å; K447-V568 HydrophobicContact CG-CB 3.75Å; K447-V568 HydrophobicContact CG-CG1 3.49Å; K447-V568 VanDerWaalsContact CG-CG1 3.49Å; H450-V568 HydrophobicContact CB-CG2 3.6Å; H450-V568 WeakPolarHBondContact CD2-CG2 3.42Å
569	Y	56.3	Low	79	Confident	197 Å²	197	74.7 Å²	74.7	77%	0.773	33%	0.33	S	S	*	.			trans	-90.8	0	-177.7	-69.6	-79.2	0	0	0	111.5	K447 L567	K447-Y569 VanDerWaalsContact CE-OXT 3.24Å; K447-Y569 WeakPolarHBondContact CE-OXT 3.39Å; K447-Y569 PolarHBondContact NZ-OXT 3.23Å; L567-Y569 WeakPolarHBondContact O-CD2 3.39Å; L567-Y569 WeakPolarHBondContact O-CE2 3.45Å

Retrieved 569 of 569 residues in 303.7 ms (Link to these results)

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