A0A087XDJ1_POEFO Loading...

Steroid 21-hydroxylase

AlphaFold DB , UniProt , Accession A0A087XDJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 523 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	33.8	Very low	33.7	Very low	203 Å²	203	145.6 Å²	145.6	100%	1	73%	0.73	S	S	*	*				0	-34.5	0	-129.9	176	70.2	0	0	115.7	D4	M1-D4 PolarHBondContact N-OD2 3Å
2	R	21.8	Very low	34.4	Very low	240 Å²	240	142.8 Å²	142.8	91%	0.906	72%	0.718	S	S	*	*			trans	-93	-25.2	170.9	-128.2	178.5	-168.8	-176	2.8	113.8
3	E	27.2	Very low	34.8	Very low	171 Å²	171	140.5 Å²	140.5	80%	0.799	72%	0.715	S	S	*	*	S	Bend	trans	-82.8	-27.1	177.5	-69.8	-178.2	152	0	0	113.5	K5 M6	E3-K5 VanDerWaalsContact C-N 3.29Å; E3-K5 PolarHBondContact O-N 3.49Å; E3-M6 PolarHBondContact O-N 2.66Å
4	D	31.8	Very low	35.8	Very low	114 Å²	114	132.7 Å²	132.7	61%	0.61	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-21.1	-179.1	-58.1	-61.7	0	0	0	113.9	M1	M1-D4 PolarHBondContact N-OD2 3Å
5	K	30.6	Very low	36.7	Very low	171 Å²	171	127.6 Å²	127.6	74%	0.743	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-20.7	176	-86.7	-174.3	172.2	-175.8	0	113.4	E3	E3-K5 VanDerWaalsContact C-N 3.29Å; E3-K5 PolarHBondContact O-N 3.49Å
6	M	29.8	Very low	37.1	Very low	168 Å²	168	122.1 Å²	122.1	83%	0.828	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-18.2	-175.2	-128.3	178.4	74.3	0	0	113.2	E3	E3-M6 PolarHBondContact O-N 2.66Å
7	A	35.8	Very low	37.7	Very low	82 Å²	82	117.5 Å²	117.5	68%	0.678	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-13.3	-178	0	0	0	0	0	114.2
8	V	39.6	Very low	38.8	Very low	124 Å²	124	115.7 Å²	115.7	75%	0.752	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-18.2	-171.2	-178.3	0	0	0	0	113.1
9	E	36.2	Very low	39.8	Very low	172 Å²	172	112 Å²	112	80%	0.804	59%	0.593	S	S	*	*			trans	-106.2	52.5	177.7	-75.3	-168.6	157.6	0	0	113.4	S11	E9-S11 VanDerWaalsContact C-N 3.26Å; E9-S11 PolarHBondContact O-N 3.02Å; E9-S11 VanDerWaalsContact O-N 3.08Å
10	M	42.6	Very low	40.8	Very low	91 Å²	91	113.4 Å²	113.4	45%	0.448	59%	0.594	S	S	.	*			trans	-73.7	92.8	150.2	-91.2	-174.4	62.3	0	0	107.3	S14 V15 L18	M10-S14 WeakPolarHBondContact CA-OG 3.37Å; M10-S14 WeakPolarHBondContact CB-OG 3.42Å; M10-V15 HydrophobicContact CE-CG2 4.46Å; M10-L18 HydrophobicContact CE-CD1 3.42Å; M10-L18 VanDerWaalsContact CE-CD1 3.42Å
11	S	42.1	Very low	42	Very low	66 Å²	66	112.6 Å²	112.6	46%	0.462	59%	0.59	S	S	.	*			trans	-50	150.3	-176.3	82.7	0	0	0	0	111.8	E9 V13 S14 V15	E9-S11 VanDerWaalsContact C-N 3.26Å; E9-S11 PolarHBondContact O-N 3.02Å; E9-S11 VanDerWaalsContact O-N 3.08Å; S11-V13 PolarHBondContact O-N 3Å; S11-V13 PolarHBondContact OG-N 3.4Å; S11-S14 PolarHBondContact N-OG 2.94Å; S11-S14 WeakPolarHBondContact O-CA 3.29Å; S11-S14 WeakPolarHBondContact O-CB 3.47Å; S11-S14 PolarHBondContact O-N 2.9Å; S11-S14 PolarHBondContact O-OG 3.37Å; S11-S14 PolarHBondContact OG-N 2.81Å; S11-V15 PolarHBondContact O-N 2.72Å
12	L	41.4	Very low	43.5	Very low	112 Å²	112	104 Å²	104	59%	0.586	55%	0.551	S	S	*	*	H	α-helix	trans	-46.3	-28.4	173.6	-80.8	135.6	0	0	0	113.3	G16 M78	L12-G16 PolarHBondContact O-N 2.98Å; L12-G16 VanDerWaalsContact O-N 3.11Å; L12-M78 HydrophobicContact CD2-CE 3.76Å
13	V	39.5	Very low	45.4	Very low	112 Å²	112	95.2 Å²	95.2	68%	0.679	52%	0.522	S	S	*	.	H	α-helix	trans	-71.6	-37.6	175.9	-176.1	0	0	0	0	111.6	S11 A17	S11-V13 PolarHBondContact O-N 3Å; S11-V13 PolarHBondContact OG-N 3.4Å; V13-A17 WeakPolarHBondContact O-CB 3.35Å; V13-A17 PolarHBondContact O-N 3.09Å
14	S	48.6	Very low	47.1	Very low	32 Å²	32	91.4 Å²	91.4	22%	0.224	51%	0.506	C	S	.	.	H	α-helix	trans	-70.1	-38.4	178	72.7	0	0	0	0	112.9	M10 S11 A17 L18	M10-S14 WeakPolarHBondContact CA-OG 3.37Å; M10-S14 WeakPolarHBondContact CB-OG 3.42Å; S11-S14 PolarHBondContact N-OG 2.94Å; S11-S14 WeakPolarHBondContact O-CA 3.29Å; S11-S14 WeakPolarHBondContact O-CB 3.47Å; S11-S14 PolarHBondContact O-N 2.9Å; S11-S14 PolarHBondContact O-OG 3.37Å; S11-S14 PolarHBondContact OG-N 2.81Å; S14-A17 PolarHBondContact O-N 3.27Å; S14-L18 VanDerWaalsContact O-CB 3.25Å; S14-L18 WeakPolarHBondContact O-CB 3.38Å; S14-L18 WeakPolarHBondContact O-CD1 3.17Å; S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.07Å; S14-L18 PolarHBondContact O-N 3.19Å
15	V	49.3	Very low	48.7	Very low	56 Å²	56	90.8 Å²	90.8	34%	0.339	50%	0.502	S	S	.	.	H	α-helix	trans	-69.8	-44	175.5	175.7	0	0	0	0	110.4	M10 S11 F19 W247	M10-V15 HydrophobicContact CE-CG2 4.46Å; S11-V15 PolarHBondContact O-N 2.72Å; V15-F19 WeakPolarHBondContact O-CB 3.34Å; V15-F19 PolarHBondContact O-N 3.19Å; V15-W247 HydrophobicContact CG1-CE3 4Å; V15-W247 HydrophobicContact CG1-CZ3 3.99Å; V15-W247 HydrophobicContact CG2-CE3 4.23Å
16	G	44.3	Very low	50.1	Low	39 Å²	39	86.5 Å²	86.5	40%	0.402	49%	0.488	S	S	.	.	H	α-helix	trans	-61.3	-43.8	173.1	0	0	0	0	0	112.4	L12 F19 F20	L12-G16 PolarHBondContact O-N 2.98Å; L12-G16 VanDerWaalsContact O-N 3.11Å; G16-F19 PolarHBondContact O-N 3.19Å; G16-F20 WeakPolarHBondContact O-CB 3.44Å; G16-F20 PolarHBondContact O-N 2.95Å
17	A	47.7	Very low	51.6	Low	45 Å²	45	82.7 Å²	82.7	37%	0.372	47%	0.473	S	S	.	.	H	α-helix	trans	-69.5	-43	180	0	0	0	0	0	112.6	V13 S14 F19 F20 L21	V13-A17 WeakPolarHBondContact O-CB 3.35Å; V13-A17 PolarHBondContact O-N 3.09Å; S14-A17 PolarHBondContact O-N 3.27Å; A17-F19 VanDerWaalsContact C-N 3.33Å; A17-F20 PolarHBondContact O-N 3.02Å; A17-L21 VanDerWaalsContact O-CB 3.32Å; A17-L21 WeakPolarHBondContact O-CB 3.36Å; A17-L21 PolarHBondContact O-N 3.19Å
18	L	56.4	Low	52.6	Low	84 Å²	84	83.9 Å²	83.9	44%	0.44	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-37.4	175	-78.8	163.1	0	0	0	111.5	M10 S14 L21 A22	M10-L18 HydrophobicContact CE-CD1 3.42Å; M10-L18 VanDerWaalsContact CE-CD1 3.42Å; S14-L18 VanDerWaalsContact O-CB 3.25Å; S14-L18 WeakPolarHBondContact O-CB 3.38Å; S14-L18 WeakPolarHBondContact O-CD1 3.17Å; S14-L18 VanDerWaalsContact O-CG 3.31Å; S14-L18 WeakPolarHBondContact O-CG 3.07Å; S14-L18 PolarHBondContact O-N 3.19Å; L18-L21 PolarHBondContact O-N 3.34Å; L18-A22 VanDerWaalsContact O-CB 3.24Å; L18-A22 WeakPolarHBondContact O-CB 3.43Å; L18-A22 PolarHBondContact O-N 3.43Å
19	F	58.5	Low	53.8	Low	46 Å²	46	82.2 Å²	82.2	20%	0.202	45%	0.454	C	S	.	.	H	α-helix	trans	-65.4	-42.2	172.7	-170.4	-94	0	0	0	111.3	V15 G16 A17 A22 L23 I74 F254	V15-F19 WeakPolarHBondContact O-CB 3.34Å; V15-F19 PolarHBondContact O-N 3.19Å; G16-F19 PolarHBondContact O-N 3.19Å; A17-F19 VanDerWaalsContact C-N 3.33Å; F19-A22 PolarHBondContact O-N 3.1Å; F19-L23 HydrophobicContact CD1-CD1 4.25Å; F19-L23 HydrophobicContact CE1-CD1 3.61Å; F19-L23 HydrophobicContact CZ-CD1 4.02Å; F19-L23 WeakPolarHBondContact O-CB 3Å; F19-L23 PolarHBondContact O-N 3.45Å; F19-I74 HydrophobicContact CD1-CG2 4.12Å; F19-I74 HydrophobicContact CE1-CG2 3.34Å; F19-I74 HydrophobicContact CZ-CG2 3.6Å; F19-F254 HydrophobicContact CE2-CD1 4.35Å; F19-F254 HydrophobicContact CE2-CD2 4.42Å; F19-F254 HydrophobicContact CE2-CE1 4.35Å; F19-F254 HydrophobicContact CE2-CE2 4.41Å; F19-F254 HydrophobicContact CE2-CG 4.39Å; F19-F254 HydrophobicContact CE2-CZ 4.39Å; F19-F254 HydrophobicContact CZ-CE1 4.23Å; F19-F254 HydrophobicContact CZ-CZ 4.38Å
20	F	59.7	Low	54.3	Low	139 Å²	139	76.7 Å²	76.7	61%	0.61	44%	0.437	S	S	*	.	H	α-helix	trans	-65.1	-41.7	175.8	-130.5	-89.4	0	0	0	112.2	G16 A17 L23 L24	G16-F20 WeakPolarHBondContact O-CB 3.44Å; G16-F20 PolarHBondContact O-N 2.95Å; A17-F20 PolarHBondContact O-N 3.02Å; F20-L23 PolarHBondContact O-N 2.82Å; F20-L24 HydrophobicContact CD1-CD1 4.04Å; F20-L24 WeakPolarHBondContact O-CB 3.28Å; F20-L24 WeakPolarHBondContact O-CG 3.4Å; F20-L24 PolarHBondContact O-N 3.29Å
21	L	65.6	Low	54.3	Low	98 Å²	98	75.9 Å²	75.9	51%	0.513	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-42.8	174.6	-93.8	148.3	0	0	0	111.5	A17 L18 L23 L24 L25	A17-L21 VanDerWaalsContact O-CB 3.32Å; A17-L21 WeakPolarHBondContact O-CB 3.36Å; A17-L21 PolarHBondContact O-N 3.19Å; L18-L21 PolarHBondContact O-N 3.34Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L21-L24 PolarHBondContact O-N 2.94Å; L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 PolarHBondContact O-N 3.19Å
22	A	65.6	Low	54.5	Low	21 Å²	21	80.1 Å²	80.1	17%	0.174	45%	0.453	C	S	.	.	H	α-helix	trans	-65	-37.6	174.2	0	0	0	0	0	111.7	L18 F19 L25 L26 L260	L18-A22 VanDerWaalsContact O-CB 3.24Å; L18-A22 WeakPolarHBondContact O-CB 3.43Å; L18-A22 PolarHBondContact O-N 3.43Å; F19-A22 PolarHBondContact O-N 3.1Å; A22-L25 PolarHBondContact O-N 2.99Å; A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 VanDerWaalsContact O-CG 3.27Å; A22-L26 WeakPolarHBondContact O-CG 3.5Å; A22-L26 PolarHBondContact O-N 3.02Å; A22-L260 HydrophobicContact CB-CD1 4.41Å
23	L	62.3	Low	54.6	Low	57 Å²	57	85 Å²	85	30%	0.298	46%	0.464	S	S	.	.	H	α-helix	trans	-66.8	-43.3	175.2	-140.2	107.5	0	0	0	111.4	F19 F20 L21 L26 V27 L73	F19-L23 HydrophobicContact CD1-CD1 4.25Å; F19-L23 HydrophobicContact CE1-CD1 3.61Å; F19-L23 HydrophobicContact CZ-CD1 4.02Å; F19-L23 WeakPolarHBondContact O-CB 3Å; F19-L23 PolarHBondContact O-N 3.45Å; F20-L23 PolarHBondContact O-N 2.82Å; L21-L23 VanDerWaalsContact C-N 3.33Å; L23-L26 PolarHBondContact O-N 2.91Å; L23-V27 WeakPolarHBondContact O-CB 3.22Å; L23-V27 VanDerWaalsContact O-CG2 3.27Å; L23-V27 WeakPolarHBondContact O-CG2 3.22Å; L23-V27 PolarHBondContact O-N 2.97Å; L23-L73 HydrophobicContact CD1-CD1 4.12Å; L23-L73 HydrophobicContact CD2-CD1 3.96Å
24	L	62	Low	54.6	Low	90 Å²	90	86.1 Å²	86.1	47%	0.471	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-43.6	174.6	-86.8	159.5	0	0	0	111.3	F20 L21 L26 V27 L28	F20-L24 HydrophobicContact CD1-CD1 4.04Å; F20-L24 WeakPolarHBondContact O-CB 3.28Å; F20-L24 WeakPolarHBondContact O-CG 3.4Å; F20-L24 PolarHBondContact O-N 3.29Å; L21-L24 PolarHBondContact O-N 2.94Å; L24-L26 PolarHBondContact O-N 3.08Å; L24-V27 PolarHBondContact O-N 3.12Å; L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 WeakPolarHBondContact O-CD1 3.49Å; L24-L28 WeakPolarHBondContact O-CG 3.1Å; L24-L28 PolarHBondContact O-N 3.38Å
25	L	65.4	Low	54.1	Low	101 Å²	101	89.9 Å²	89.9	53%	0.529	49%	0.488	S	S	.	.	H	α-helix	trans	-62.6	-41.6	174.3	-108.5	122.5	0	0	0	111.8	L21 A22 L28 I29	L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 PolarHBondContact O-N 3.19Å; A22-L25 PolarHBondContact O-N 2.99Å; L25-L28 PolarHBondContact O-N 3.41Å; L25-I29 HydrophobicContact CD2-CD1 4.3Å; L25-I29 WeakPolarHBondContact O-CB 3.34Å; L25-I29 WeakPolarHBondContact O-CD1 3.36Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.32Å
26	L	60.7	Low	53.7	Low	82 Å²	82	96 Å²	96	43%	0.429	51%	0.512	S	S	.	.	H	α-helix	trans	-66.5	-38.6	176.3	-76.8	166	0	0	0	112.2	A22 L23 L24 A30 L256	A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 VanDerWaalsContact O-CG 3.27Å; A22-L26 WeakPolarHBondContact O-CG 3.5Å; A22-L26 PolarHBondContact O-N 3.02Å; L23-L26 PolarHBondContact O-N 2.91Å; L24-L26 PolarHBondContact O-N 3.08Å; L26-A30 WeakPolarHBondContact O-CB 3.46Å; L26-A30 PolarHBondContact O-N 3.17Å; L26-L256 HydrophobicContact CD1-CD1 3.99Å; L26-L256 HydrophobicContact CD2-CD1 4.49Å
27	V	60.7	Low	53.3	Low	87 Å²	87	99.2 Å²	99.2	53%	0.527	53%	0.529	S	S	.	.	H	α-helix	trans	-66.7	-39.7	174	170.2	0	0	0	0	110.8	L23 L24 A30 S31	L23-V27 WeakPolarHBondContact O-CB 3.22Å; L23-V27 VanDerWaalsContact O-CG2 3.27Å; L23-V27 WeakPolarHBondContact O-CG2 3.22Å; L23-V27 PolarHBondContact O-N 2.97Å; L24-V27 PolarHBondContact O-N 3.12Å; V27-A30 PolarHBondContact O-N 3.15Å; V27-S31 WeakPolarHBondContact O-CB 3.47Å; V27-S31 PolarHBondContact O-N 2.93Å
28	L	56.3	Low	52.7	Low	107 Å²	107	106.8 Å²	106.8	56%	0.56	56%	0.556	S	S	*	*	H	α-helix	trans	-66.6	-42.6	176	-74.6	165	0	0	0	111.8	L24 L25 S31 Q32	L24-L28 WeakPolarHBondContact O-CB 3.47Å; L24-L28 WeakPolarHBondContact O-CD1 3.49Å; L24-L28 WeakPolarHBondContact O-CG 3.1Å; L24-L28 PolarHBondContact O-N 3.38Å; L25-L28 PolarHBondContact O-N 3.41Å; L28-S31 PolarHBondContact O-N 2.86Å; L28-Q32 WeakPolarHBondContact O-CG 3.28Å; L28-Q32 PolarHBondContact O-N 3.37Å
29	I	64.1	Low	51.5	Low	89 Å²	89	106.2 Å²	106.2	46%	0.456	57%	0.57	S	S	.	*	H	α-helix	trans	-66.6	-39.4	175.8	-67.4	163.4	0	0	0	110.9	L25 Q32 R33	L25-I29 HydrophobicContact CD2-CD1 4.3Å; L25-I29 WeakPolarHBondContact O-CB 3.34Å; L25-I29 WeakPolarHBondContact O-CD1 3.36Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.32Å; I29-Q32 PolarHBondContact O-N 3.15Å; I29-R33 PolarHBondContact O-N 3.11Å
30	A	46.8	Very low	50.2	Low	56 Å²	56	113.7 Å²	113.7	46%	0.463	60%	0.603	S	S	.	*	H	α-helix	trans	-69.4	-36.1	175.1	0	0	0	0	0	112.1	L26 V27 R33 N34	L26-A30 WeakPolarHBondContact O-CB 3.46Å; L26-A30 PolarHBondContact O-N 3.17Å; V27-A30 PolarHBondContact O-N 3.15Å; A30-R33 PolarHBondContact O-N 3.47Å; A30-N34 PolarHBondContact O-N 3.11Å
31	S	43.1	Very low	48.9	Very low	74 Å²	74	114 Å²	114	52%	0.517	61%	0.611	S	S	.	*	H	α-helix	trans	-67.6	-36.3	175.3	-174.9	0	0	0	0	111.9	V27 L28 R33 N34	V27-S31 WeakPolarHBondContact O-CB 3.47Å; V27-S31 PolarHBondContact O-N 2.93Å; L28-S31 PolarHBondContact O-N 2.86Å; S31-R33 VanDerWaalsContact C-N 3.31Å; S31-N34 PolarHBondContact O-N 3.22Å
32	Q	46.5	Very low	47.6	Very low	156 Å²	156	119.1 Å²	119.1	73%	0.729	63%	0.629	S	S	*	*	H	α-helix	trans	-72.4	-22.5	174.9	-77.5	-172.8	-21.1	0	0	113.3	L28 I29 T35	L28-Q32 WeakPolarHBondContact O-CG 3.28Å; L28-Q32 PolarHBondContact O-N 3.37Å; I29-Q32 PolarHBondContact O-N 3.15Å; Q32-T35 PolarHBondContact O-OG1 3.46Å
33	R	44.2	Very low	46.2	Very low	214 Å²	214	127.7 Å²	127.7	81%	0.808	66%	0.662	S	S	*	*	H	α-helix	trans	-83.2	-18.9	175.3	-110.4	178.2	172.4	175.1	-2.5	114	I29 A30 S31	I29-R33 PolarHBondContact O-N 3.11Å; A30-R33 PolarHBondContact O-N 3.47Å; S31-R33 VanDerWaalsContact C-N 3.31Å
34	N	39.9	Very low	44.8	Very low	135 Å²	135	135.6 Å²	135.6	72%	0.722	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	4.4	-174.4	-110.3	1.7	0	0	0	114.6	A30 S31 H36	A30-N34 PolarHBondContact O-N 3.11Å; S31-N34 PolarHBondContact O-N 3.22Å; N34-H36 VanDerWaalsContact C-N 3.29Å; N34-H36 PolarHBondContact O-N 3.07Å
35	T	38.1	Very low	43.9	Very low	112 Å²	112	135.5 Å²	135.5	69%	0.687	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-0.2	175.3	42.9	0	0	0	0	114.2	Q32	Q32-T35 PolarHBondContact O-OG1 3.46Å
36	H	39.5	Very low	42.5	Very low	184 Å²	184	139 Å²	139	85%	0.852	70%	0.702	S	S	*	*	S	Bend	trans	-129.1	67.6	174.1	-91.5	-64.7	0	0	0	112.2	N34	N34-H36 VanDerWaalsContact C-N 3.29Å; N34-H36 PolarHBondContact O-N 3.07Å
37	S	36.8	Very low	41.6	Very low	106 Å²	106	140 Å²	140	74%	0.741	71%	0.711	S	S	*	*			trans	178.4	93.5	154	173	0	0	0	0	109.7
38	Q	33.8	Very low	40.8	Very low	205 Å²	205	137.3 Å²	137.3	96%	0.958	70%	0.702	S	S	*	*			trans	-120.2	123.5	160.1	-89.4	-162.6	-0.5	0	0	109.1
39	G	31.7	Very low	40.2	Very low	71 Å²	71	137.2 Å²	137.2	73%	0.732	70%	0.701	S	S	*	*			trans	177.8	90.8	169.6	0	0	0	0	0	115
40	K	31.4	Very low	39.2	Very low	204 Å²	204	138.7 Å²	138.7	89%	0.887	71%	0.709	S	S	*	*			trans	62	105.9	150.3	-61.5	177.9	178.6	176.5	0	119.3
41	D	32.8	Very low	39	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	72%	0.718	S	S	*	*				-176.3	104.1	120.1	-109.2	-24.1	0	0	0	112.2
42	K	37.9	Very low	39	Very low	206 Å²	206	145.5 Å²	145.5	90%	0.896	72%	0.723	S	S	*	*			trans	-105.5	9.2	-171.1	-113.4	-178	-176.4	178.7	0	115.4
43	K	35.7	Very low	38.8	Very low	202 Å²	202	142.8 Å²	142.8	88%	0.878	71%	0.713	S	S	*	*	S	Bend	trans	-119.1	-7	-174.9	-84.2	-174.5	175.4	-179.5	0	117.2
44	R	33.8	Very low	38.5	Very low	223 Å²	223	142 Å²	142	84%	0.842	71%	0.711	S	S	*	*	S	Bend	trans	-98.5	-7.8	178.7	-141.1	173.9	-174.8	179.9	0.5	115.1
45	V	42.3	Very low	38.5	Very low	88 Å²	88	142.3 Å²	142.3	53%	0.533	71%	0.709	S	S	.	*	H	α-helix	trans	-85.2	-24.4	-170.9	-178.9	0	0	0	0	113.5	T47 L49	V45-T47 PolarHBondContact O-N 2.82Å; V45-L49 HydrophobicContact CG1-CD1 3.79Å; V45-L49 PolarHBondContact O-N 3.26Å
46	K	36.8	Very low	38.5	Very low	175 Å²	175	146 Å²	146	76%	0.761	72%	0.716	S	S	*	*	H	α-helix	trans	-71.9	-27.9	-174.4	-77.2	-172.5	174.1	-174.4	0	114
47	T	42.6	Very low	38.3	Very low	101 Å²	101	142.5 Å²	142.5	62%	0.62	71%	0.707	S	S	*	*	H	α-helix	trans	-81.9	-32.9	179.5	11.6	0	0	0	0	113	V45 Q51	V45-T47 PolarHBondContact O-N 2.82Å; T47-Q51 PolarHBondContact O-N 3.49Å
48	G	42.7	Very low	38.2	Very low	32 Å²	32	148.1 Å²	148.1	33%	0.33	71%	0.712	S	S	.	*	H	α-helix	trans	-73.2	-32.7	175.6	0	0	0	0	0	113.8	Q51 H52	G48-Q51 PolarHBondContact O-N 3.38Å; G48-H52 WeakPolarHBondContact O-CB 3.41Å; G48-H52 PolarHBondContact O-CD2 2.96Å; G48-H52 PolarHBondContact O-N 3.1Å
49	L	44.8	Very low	38.5	Very low	104 Å²	104	143.7 Å²	143.7	55%	0.545	70%	0.703	S	S	.	*	H	α-helix	trans	-67.4	-40.4	176.9	-117.3	120.2	0	0	0	112.2	V45 H52 L53	V45-L49 HydrophobicContact CG1-CD1 3.79Å; V45-L49 PolarHBondContact O-N 3.26Å; L49-H52 PolarHBondContact O-N 2.82Å; L49-L53 HydrophobicContact CD2-CD1 4.44Å; L49-L53 WeakPolarHBondContact O-CB 3.43Å; L49-L53 WeakPolarHBondContact O-CD1 3.49Å; L49-L53 PolarHBondContact O-N 3.04Å
50	L	41.9	Very low	39	Very low	120 Å²	120	144.2 Å²	144.2	63%	0.628	70%	0.696	S	S	*	*	H	α-helix	trans	-68.2	-35.6	176.4	-82.7	159.6	0	0	0	112	L53 Y54	L50-L53 PolarHBondContact O-N 3.38Å; L50-Y54 WeakPolarHBondContact O-CB 3.24Å; L50-Y54 PolarHBondContact O-N 3.31Å
51	Q	43.6	Very low	40	Very low	139 Å²	139	140.2 Å²	140.2	65%	0.65	69%	0.694	S	S	*	*	H	α-helix	trans	-72.5	-35.3	176	-140.3	167.1	6.4	0	0	112.1	T47 G48 Y54 Q55	T47-Q51 PolarHBondContact O-N 3.49Å; G48-Q51 PolarHBondContact O-N 3.38Å; Q51-Y54 PolarHBondContact O-N 3.38Å; Q51-Q55 WeakPolarHBondContact O-CG 3.31Å; Q51-Q55 PolarHBondContact O-N 2.93Å
52	H	42.8	Very low	41.1	Very low	135 Å²	135	138.7 Å²	138.7	63%	0.625	68%	0.68	S	S	*	*	H	α-helix	trans	-68.5	-37.7	170	-91.1	-60.1	0	0	0	112.9	G48 L49 Y54 Q55 F56	G48-H52 WeakPolarHBondContact O-CB 3.41Å; G48-H52 PolarHBondContact O-CD2 2.96Å; G48-H52 PolarHBondContact O-N 3.1Å; L49-H52 PolarHBondContact O-N 2.82Å; H52-Y54 VanDerWaalsContact C-N 3.35Å; H52-Q55 PolarHBondContact O-N 3.06Å; H52-F56 WeakPolarHBondContact O-CB 3.49Å; H52-F56 PolarHBondContact O-N 3.18Å
53	L	42.2	Very low	42.5	Very low	98 Å²	98	132.7 Å²	132.7	51%	0.513	66%	0.663	S	S	.	*	H	α-helix	trans	-63.9	-39.3	171.8	-95.9	144.9	0	0	0	111.5	L49 L50 F56 V57	L49-L53 HydrophobicContact CD2-CD1 4.44Å; L49-L53 WeakPolarHBondContact O-CB 3.43Å; L49-L53 WeakPolarHBondContact O-CD1 3.49Å; L49-L53 PolarHBondContact O-N 3.04Å; L50-L53 PolarHBondContact O-N 3.38Å; L53-F56 WeakPolarHBondContact O-CB 3.42Å; L53-F56 PolarHBondContact O-N 3.39Å; L53-V57 WeakPolarHBondContact O-CG2 3.21Å; L53-V57 PolarHBondContact O-N 3.47Å; L53-V57 VanDerWaalsContact O-N 3.1Å
54	Y	38.6	Very low	44.9	Very low	197 Å²	197	127.9 Å²	127.9	77%	0.773	65%	0.654	S	S	*	*	H	α-helix	trans	-69.6	-31.8	177	-142.8	-95	0	0	0	112.8	L50 Q51 H52	L50-Y54 WeakPolarHBondContact O-CB 3.24Å; L50-Y54 PolarHBondContact O-N 3.31Å; Q51-Y54 PolarHBondContact O-N 3.38Å; H52-Y54 VanDerWaalsContact C-N 3.35Å
55	Q	40	Very low	47.6	Very low	143 Å²	143	118 Å²	118	67%	0.668	62%	0.618	S	S	*	*	H	α-helix	trans	-73.7	-26	170.5	-74.2	-178.1	-11.3	0	0	112.9	Q51 H52	Q51-Q55 WeakPolarHBondContact O-CG 3.31Å; Q51-Q55 PolarHBondContact O-N 2.93Å; H52-Q55 PolarHBondContact O-N 3.06Å
56	F	37.9	Very low	50.2	Low	189 Å²	189	115.5 Å²	115.5	83%	0.829	60%	0.604	S	S	*	*	H	α-helix	trans	-77.6	-22.6	175.4	-142.8	-94.6	0	0	0	113	H52 L53	H52-F56 WeakPolarHBondContact O-CB 3.49Å; H52-F56 PolarHBondContact O-N 3.18Å; L53-F56 WeakPolarHBondContact O-CB 3.42Å; L53-F56 PolarHBondContact O-N 3.39Å
57	V	35.2	Very low	52.9	Low	111 Å²	111	108.2 Å²	108.2	67%	0.673	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	9.8	179.9	178.7	0	0	0	0	112.3	L53 S59	L53-V57 WeakPolarHBondContact O-CG2 3.21Å; L53-V57 PolarHBondContact O-N 3.47Å; L53-V57 VanDerWaalsContact O-N 3.1Å; V57-S59 PolarHBondContact O-N 3.2Å
58	R	32.9	Very low	55.3	Low	224 Å²	224	103.9 Å²	103.9	85%	0.845	55%	0.551	S	S	*	*			trans	-70.1	87.1	166.5	-128.9	-179	-179.4	168.8	0.1	108.8	S60	R58-S60 PolarHBondContact O-N 3.03Å
59	S	40	Very low	57.5	Low	111 Å²	111	107.6 Å²	107.6	78%	0.776	57%	0.57	S	S	*	*			trans	-43.4	97.4	165.2	155.2	0	0	0	0	109.1	V57 S61	V57-S59 PolarHBondContact O-N 3.2Å; S59-S61 PolarHBondContact O-N 2.9Å
60	S	43.1	Very low	59.4	Low	82 Å²	82	105.4 Å²	105.4	57%	0.573	56%	0.563	S	S	*	*			trans	-61.4	118.8	160.1	169.4	0	0	0	0	106.3	R58 K62	R58-S60 PolarHBondContact O-N 3.03Å; S60-K62 PolarHBondContact O-N 2.95Å; S60-K62 PolarHBondContact OG-N 2.85Å
61	S	52.8	Low	61.5	Low	121 Å²	121	106.8 Å²	106.8	85%	0.846	56%	0.56	S	S	*	*	S	Bend	trans	-63.3	6	174.7	52.5	0	0	0	0	114	S59	S59-S61 PolarHBondContact O-N 2.9Å
62	K	56.1	Low	63.1	Low	112 Å²	112	109 Å²	109	49%	0.487	57%	0.568	S	S	.	*	S	Bend	trans	-93.8	137.8	178.8	-58.1	-174.2	-176.9	177.6	0	110.1	S60 S64 F414	S60-K62 PolarHBondContact O-N 2.95Å; S60-K62 PolarHBondContact OG-N 2.85Å; K62-S64 PolarHBondContact O-N 2.78Å; K62-F414 HydrophobicContact CD-CB 3.9Å; K62-F414 HydrophobicContact CD-CG 4.34Å
63	P	67.6	Low	64.6	Low	80 Å²	80	106.9 Å²	106.9	52%	0.519	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-57.8	131.4	177.9	23.5	-31.9	0	0	0	110.2	Y413	P63-Y413 HydrophobicContact CB-CD1 4.14Å; P63-Y413 HydrophobicContact CB-CE1 3.88Å; P63-Y413 HydrophobicContact CG-CD1 4.2Å; P63-Y413 HydrophobicContact CG-CE1 4.29Å; P63-Y413 WeakPolarHBondContact O-CD1 3.18Å
64	S	84.3	Confident	66.5	Low	100 Å²	100	104 Å²	104	70%	0.699	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-76.2	137.3	175.6	60.4	0	0	0	0	110.1	K62	K62-S64 PolarHBondContact O-N 2.78Å
65	L	92.4	Very high	68.8	Low	16 Å²	16	95 Å²	95	8%	0.084	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-56.7	127.4	173.8	-77.3	162	0	0	0	110.9	V99 R101 V110 Y413 I415	L65-V99 HydrophobicContact CD2-CG1 3.77Å; L65-R101 HydrophobicContact CB-CB 3.98Å; L65-R101 HydrophobicContact CD1-CB 4.45Å; L65-V110 HydrophobicContact CD1-CG2 3.64Å; L65-V110 HydrophobicContact CD2-CG1 4.43Å; L65-Y413 HydrophobicContact CD2-CD1 3.91Å; L65-Y413 HydrophobicContact CD2-CD2 4.01Å; L65-Y413 HydrophobicContact CD2-CG 3.55Å; L65-Y413 HydrophobicContact CG-CD1 4.12Å; L65-Y413 HydrophobicContact CG-CG 4.14Å; L65-I415 HydrophobicContact CD1-CD1 3.92Å; L65-I415 HydrophobicContact CD2-CD1 4.37Å
66	P	94.9	Very high	71.3	Confident	36 Å²	36	88.4 Å²	88.4	23%	0.234	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-68.8	165.6	173.8	31.6	-35.3	0	0	0	110.3	Y96 V99 Y100 R101	P66-Y96 WeakPolarHBondContact CG-O 3.25Å; P66-V99 VanDerWaalsContact CG-O 3.26Å; P66-V99 WeakPolarHBondContact CG-O 3.36Å; P66-Y100 CarbonylContact O-C 3.57Å; P66-Y100 VanDerWaalsContact O-CA 3.3Å; P66-Y100 WeakPolarHBondContact O-CA 3.4Å; P66-Y100 WeakPolarHBondContact O-CB 3.45Å; P66-R101 PolarHBondContact O-N 2.88Å
67	G	94	Very high	73.5	Confident	21 Å²	21	80.5 Å²	80.5	22%	0.216	45%	0.448	C	S	.	.			trans	161.2	166.5	174.5	0	0	0	0	0	112.9	Y96	G67-Y96 VanDerWaalsContact C-CE1 3.48Å
68	P	92.9	Very high	75.9	Confident	10 Å²	10	78.3 Å²	78.3	7%	0.065	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-62.2	146.1	-179.6	24.2	-33	0	0	0	112.3	S70 N76 E79 Y96 L102	P68-S70 PolarHBondContact O-N 2.98Å; P68-N76 PolarHBondContact O-ND2 2.95Å; P68-E79 HydrophobicContact CG-CG 4.49Å; P68-Y96 WeakPolarHBondContact CA-OH 3.23Å; P68-Y96 HydrophobicContact CB-CE2 4.03Å; P68-Y96 HydrophobicContact CG-CE2 4.33Å; P68-L102 HydrophobicContact CG-CD2 3.5Å; P68-L102 VanDerWaalsContact CG-CD2 3.5Å
69	P	88.9	Confident	78.6	Confident	110 Å²	110	69.2 Å²	69.2	71%	0.714	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-59.9	133.2	177.5	26	-33.7	0	0	0	110.3	N76	P69-N76 PolarHBondContact O-ND2 3.37Å
70	S	85.8	Confident	80.8	Confident	59 Å²	59	65.6 Å²	65.6	41%	0.413	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-79.7	128.2	-178.9	-58.8	0	0	0	0	110.9	P68 N76	P68-S70 PolarHBondContact O-N 2.98Å; S70-N76 PolarHBondContact OG-OD1 3.19Å
71	R	84.9	Confident	82.8	Confident	149 Å²	149	63 Å²	63	56%	0.562	35%	0.351	S	S	*	.	B	Isolated β-bridge	trans	-70.1	152.9	171.9	-58.9	-178.9	-176	-174.2	2.7	110.5	L73 I74 G75	R71-L73 PolarHBondContact O-N 2.87Å; R71-I74 HydrophobicContact CB-CD1 4.35Å; R71-I74 HydrophobicContact CB-CG1 3.91Å; R71-G75 WeakPolarHBondContact CB-O 3.27Å; R71-G75 PolarHBondContact N-O 3.17Å; R71-G75 VanDerWaalsContact O-CA 3.26Å; R71-G75 WeakPolarHBondContact O-CA 3.33Å; R71-G75 PolarHBondContact O-N 3.23Å
72	F	77.9	Confident	84.3	Confident	184 Å²	184	61.2 Å²	61.2	81%	0.807	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	132.8	178.6	-173.3	-111.4	0	0	0	111	I74	F72-I74 PolarHBondContact O-N 3.35Å
73	L	74.9	Confident	85.4	Confident	92 Å²	92	62.3 Å²	62.3	48%	0.482	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	-50.4	-177.8	-61.4	167.6	0	0	0	117	L23 R71	L23-L73 HydrophobicContact CD1-CD1 4.12Å; L23-L73 HydrophobicContact CD2-CD1 3.96Å; R71-L73 PolarHBondContact O-N 2.87Å
74	I	81.4	Confident	86.3	Confident	38 Å²	38	61.8 Å²	61.8	20%	0.195	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-18	-176.4	62.8	174.2	0	0	0	113.4	F19 R71 F72 N76 M77 M78	F19-I74 HydrophobicContact CD1-CG2 4.12Å; F19-I74 HydrophobicContact CE1-CG2 3.34Å; F19-I74 HydrophobicContact CZ-CG2 3.6Å; R71-I74 HydrophobicContact CB-CD1 4.35Å; R71-I74 HydrophobicContact CB-CG1 3.91Å; F72-I74 PolarHBondContact O-N 3.35Å; I74-N76 PolarHBondContact O-N 3.32Å; I74-M77 WeakPolarHBondContact O-CB 3.47Å; I74-M77 PolarHBondContact O-N 3.42Å; I74-M78 HydrophobicContact CD1-CG 4.35Å
75	G	87.9	Confident	86.5	Confident	7 Å²	7	58.8 Å²	58.8	7%	0.072	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	63	-121.3	-178.7	0	0	0	0	0	112.5	R71 K103	R71-G75 WeakPolarHBondContact CB-O 3.27Å; R71-G75 PolarHBondContact N-O 3.17Å; R71-G75 VanDerWaalsContact O-CA 3.26Å; R71-G75 WeakPolarHBondContact O-CA 3.33Å; R71-G75 PolarHBondContact O-N 3.23Å; G75-K103 CarbonylContact C-O 3.58Å; G75-K103 VanDerWaalsContact CA-O 3.22Å; G75-K103 WeakPolarHBondContact CA-O 3.48Å
76	N	90.4	Very high	86.6	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	21.5	-178.8	-55.4	108.1	0	0	0	112.1	P68 P69 S70 I74 M78 E79 L102 K103	P68-N76 PolarHBondContact O-ND2 2.95Å; P69-N76 PolarHBondContact O-ND2 3.37Å; S70-N76 PolarHBondContact OG-OD1 3.19Å; I74-N76 PolarHBondContact O-N 3.32Å; N76-M78 PolarHBondContact O-N 2.7Å; N76-E79 HydrophobicContact CB-CG 3.93Å; N76-E79 VanDerWaalsContact O-CB 3.26Å; N76-E79 WeakPolarHBondContact O-CB 3.38Å; N76-E79 WeakPolarHBondContact O-CG 3.02Å; N76-E79 PolarHBondContact O-N 3.42Å; N76-L102 HydrophobicContact CB-CB 4.21Å; N76-L102 HydrophobicContact CB-CD2 3.98Å; N76-K103 PolarHBondContact N-O 3.49Å; N76-K103 PolarHBondContact OD1-N 3.38Å; N76-K103 PolarHBondContact OD1-O 2.81Å
77	M	84.7	Confident	86.5	Confident	23 Å²	23	59.7 Å²	59.7	11%	0.113	31%	0.309	C	S	.	.	H	α-helix	trans	-54.7	-37.9	-178.1	-175.6	59.5	77.9	0	0	112.7	I74 E79 L80 T81 C104 S253 F254	I74-M77 WeakPolarHBondContact O-CB 3.47Å; I74-M77 PolarHBondContact O-N 3.42Å; M77-E79 PolarHBondContact O-N 3.49Å; M77-L80 WeakPolarHBondContact O-CB 3.34Å; M77-L80 PolarHBondContact O-N 3.02Å; M77-L80 HydrophobicContact SD-CD1 4.38Å; M77-T81 PolarHBondContact O-N 3.2Å; M77-C104 HydrophobicContact CE-CB 3.99Å; M77-S253 WeakPolarHBondContact CE-OG 3.31Å; M77-F254 HydrophobicContact CE-CD2 4.4Å; M77-F254 HydrophobicContact CE-CE2 3.62Å; M77-F254 HydrophobicContact CE-CZ 4.4Å
78	M	86.1	Confident	86.5	Confident	66 Å²	66	60.3 Å²	60.3	33%	0.325	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-26.8	177.8	-60	-56.3	-60.8	0	0	113	L12 I74 N76 L80 T81 H82	L12-M78 HydrophobicContact CD2-CE 3.76Å; I74-M78 HydrophobicContact CD1-CG 4.35Å; N76-M78 PolarHBondContact O-N 2.7Å; M78-L80 PolarHBondContact O-N 2.96Å; M78-T81 PolarHBondContact O-N 3.29Å; M78-T81 PolarHBondContact O-OG1 2.77Å; M78-H82 PolarHBondContact O-CE1 3.34Å; M78-H82 PolarHBondContact O-ND1 2.84Å
79	E	89.8	Confident	86.6	Confident	33 Å²	33	59.9 Å²	59.9	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-68.8	-27.1	174.9	-51.2	-58.7	160.4	0	0	111.4	P68 N76 M77 H82 L85 H88 L92 L102	P68-E79 HydrophobicContact CG-CG 4.49Å; N76-E79 HydrophobicContact CB-CG 3.93Å; N76-E79 VanDerWaalsContact O-CB 3.26Å; N76-E79 WeakPolarHBondContact O-CB 3.38Å; N76-E79 WeakPolarHBondContact O-CG 3.02Å; N76-E79 PolarHBondContact O-N 3.42Å; M77-E79 PolarHBondContact O-N 3.49Å; E79-H82 PolarHBondContact O-ND1 2.69Å; E79-L85 VanDerWaalsContact O-CD1 3.22Å; E79-L85 WeakPolarHBondContact O-CD1 3.24Å; E79-H88 PolarHBondContact O-CD2 2.9Å; E79-H88 VanDerWaalsContact O-CD2 3.25Å; E79-H88 IonicContact OE2-CD2 3.59Å; E79-H88 IonicContact OE2-CE1 2.78Å; E79-H88 PolarHBondContact OE2-CE1 3.33Å; E79-H88 IonicContact OE2-NE2 3.96Å; E79-H88 PolarHBondContact OE2-NE2 3.22Å; E79-L92 HydrophobicContact CB-CD1 4.37Å; E79-L102 HydrophobicContact CB-CD2 4.41Å; E79-L102 HydrophobicContact CG-CD2 4.36Å
80	L	86.3	Confident	87	Confident	34 Å²	34	55.2 Å²	55.2	18%	0.178	27%	0.273	C	S	.	.	H	α-helix	trans	-87.7	-12.1	-178.6	-60.3	177.5	0	0	0	113.7	M77 M78 L85 L102 C104 M109	M77-L80 WeakPolarHBondContact O-CB 3.34Å; M77-L80 PolarHBondContact O-N 3.02Å; M77-L80 HydrophobicContact SD-CD1 4.38Å; M78-L80 PolarHBondContact O-N 2.96Å; L80-L85 HydrophobicContact CD2-CD1 4.41Å; L80-L102 HydrophobicContact CD2-CD1 3.84Å; L80-C104 VanDerWaalsContact CD1-SG 3.52Å; L80-M109 HydrophobicContact CD1-CE 4Å; L80-M109 HydrophobicContact CD1-SD 3.72Å
81	T	83.8	Confident	87.4	Confident	29 Å²	29	55.2 Å²	55.2	18%	0.178	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	12.3	-177.3	62.7	0	0	0	0	113.7	M77 M78	M77-T81 PolarHBondContact O-N 3.2Å; M78-T81 PolarHBondContact O-N 3.29Å; M78-T81 PolarHBondContact O-OG1 2.77Å
82	H	86.4	Confident	87.9	Confident	83 Å²	83	48.5 Å²	48.5	38%	0.384	24%	0.244	S	C	.	.			trans	-75.7	138.2	177.7	-75.2	70.7	0	0	0	110.9	M78 E79 H84 L85 H88	M78-H82 PolarHBondContact O-CE1 3.34Å; M78-H82 PolarHBondContact O-ND1 2.84Å; E79-H82 PolarHBondContact O-ND1 2.69Å; H82-H84 VanDerWaalsContact C-N 3.26Å; H82-H84 PolarHBondContact O-N 3Å; H82-L85 PolarHBondContact O-N 2.98Å; H82-H88 HydrophobicContact CB-CB 4.13Å; H82-H88 AromaticContact CD2-CE1 3.87Å; H82-H88 AromaticContact CD2-CG 3.94Å; H82-H88 AromaticContact CD2-ND1 3.74Å; H82-H88 AromaticContact CE1-CE1 3.67Å; H82-H88 AromaticContact CE1-NE2 3.54Å; H82-H88 AromaticContact CG-CD2 3.8Å; H82-H88 AromaticContact CG-CG 3.81Å; H82-H88 AromaticContact ND1-CD2 3.7Å; H82-H88 AromaticContact ND1-NE2 3.62Å; H82-H88 AromaticContact NE2-CE1 3.58Å; H82-H88 AromaticContact NE2-ND1 3.9Å; H82-H88 AromaticContact NE2-NE2 3.91Å
83	D	77.9	Confident	88.7	Confident	135 Å²	135	40.2 Å²	40.2	72%	0.722	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.7	-175.5	-62.3	-26	0	0	0	113.3
84	H	85.7	Confident	89.5	Confident	69 Å²	69	42.5 Å²	42.5	32%	0.319	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	54.9	174.9	-64.8	-80.2	0	0	0	111.3	H82 P86 I87 H88 G504	H82-H84 VanDerWaalsContact C-N 3.26Å; H82-H84 PolarHBondContact O-N 3Å; H84-P86 VanDerWaalsContact C-N 3.32Å; H84-P86 VanDerWaalsContact O-N 3.12Å; H84-I87 HydrophobicContact CB-CB 4.32Å; H84-I87 HydrophobicContact CB-CD1 4.14Å; H84-I87 HydrophobicContact CB-CG1 4.46Å; H84-I87 PolarHBondContact O-N 3.34Å; H84-H88 PolarHBondContact O-N 3.45Å; H84-G504 PolarHBondContact CE1-O 3.28Å; H84-G504 VanDerWaalsContact CE1-O 3.31Å
85	L	90.4	Very high	90.1	Very high	37 Å²	37	50 Å²	50	19%	0.194	24%	0.244	C	C	.	.	H	α-helix	trans	-46.1	-44.6	-174.3	-175.6	62	0	0	0	114.7	E79 L80 H82 I87 H88 L89 L398	E79-L85 VanDerWaalsContact O-CD1 3.22Å; E79-L85 WeakPolarHBondContact O-CD1 3.24Å; L80-L85 HydrophobicContact CD2-CD1 4.41Å; H82-L85 PolarHBondContact O-N 2.98Å; L85-I87 VanDerWaalsContact C-N 3.35Å; L85-I87 PolarHBondContact O-N 2.66Å; L85-H88 PolarHBondContact O-N 2.92Å; L85-L89 HydrophobicContact CD1-CD1 4.08Å; L85-L89 HydrophobicContact CD1-CD2 4.06Å; L85-L89 HydrophobicContact CD1-CG 3.82Å; L85-L89 HydrophobicContact CG-CD1 4.01Å; L85-L89 HydrophobicContact CG-CG 4.14Å; L85-L89 WeakPolarHBondContact O-CB 3.3Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.41Å; L85-L89 PolarHBondContact O-N 3.44Å; L85-L398 HydrophobicContact CB-CD1 4.44Å; L85-L398 HydrophobicContact CD2-CD1 3.71Å; L85-L398 HydrophobicContact CG-CD1 3.83Å
86	P	92.8	Very high	90.5	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-37	179.7	-17.4	29.2	0	0	0	114.3	H84 T90 P397 L398 N424 F426 A506	H84-P86 VanDerWaalsContact C-N 3.32Å; H84-P86 VanDerWaalsContact O-N 3.12Å; P86-T90 PolarHBondContact O-N 3.01Å; P86-T90 VanDerWaalsContact O-N 3.13Å; P86-T90 PolarHBondContact O-OG1 3.21Å; P86-P397 HydrophobicContact CB-CB 3.8Å; P86-P397 HydrophobicContact CB-CG 4.17Å; P86-P397 HydrophobicContact CG-CB 3.73Å; P86-P397 HydrophobicContact CG-CG 3.5Å; P86-L398 HydrophobicContact CB-CD2 4.05Å; P86-L398 HydrophobicContact CB-CG 4.16Å; P86-L398 HydrophobicContact CG-CD1 4.24Å; P86-L398 HydrophobicContact CG-CD2 4.43Å; P86-L398 HydrophobicContact CG-CG 4Å; P86-N424 PolarHBondContact O-ND2 3.1Å; P86-F426 HydrophobicContact CB-CB 3.96Å; P86-F426 HydrophobicContact CB-CD1 4.45Å; P86-F426 HydrophobicContact CB-CG 4.21Å; P86-A506 HydrophobicContact CG-CB 4.33Å
87	I	93.1	Very high	90.6	Very high	62 Å²	62	54.5 Å²	54.5	32%	0.318	27%	0.269	S	S	.	.	H	α-helix	trans	-68.8	-48.5	175.9	-60.1	174.4	0	0	0	108.8	H84 L85 L89 T90 D91 F426	H84-I87 HydrophobicContact CB-CB 4.32Å; H84-I87 HydrophobicContact CB-CD1 4.14Å; H84-I87 HydrophobicContact CB-CG1 4.46Å; H84-I87 PolarHBondContact O-N 3.34Å; L85-I87 VanDerWaalsContact C-N 3.35Å; L85-I87 PolarHBondContact O-N 2.66Å; I87-L89 VanDerWaalsContact C-N 3.32Å; I87-L89 PolarHBondContact O-N 3.45Å; I87-T90 CarbonylContact O-C 3.52Å; I87-T90 WeakPolarHBondContact O-CA 3.47Å; I87-T90 VanDerWaalsContact O-CB 3.23Å; I87-T90 WeakPolarHBondContact O-CB 3.35Å; I87-T90 PolarHBondContact O-N 2.97Å; I87-D91 PolarHBondContact O-N 3.08Å; I87-F426 HydrophobicContact CB-CE1 4.5Å; I87-F426 HydrophobicContact CD1-CZ 4.46Å; I87-F426 HydrophobicContact CG1-CD1 4.43Å; I87-F426 HydrophobicContact CG1-CE1 3.71Å; I87-F426 HydrophobicContact CG1-CZ 3.84Å
88	H	94.8	Very high	91.1	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-43.4	178.1	-177.4	64.8	0	0	0	113	E79 H82 H84 L85 T90 D91 L92	E79-H88 PolarHBondContact O-CD2 2.9Å; E79-H88 VanDerWaalsContact O-CD2 3.25Å; E79-H88 IonicContact OE2-CD2 3.59Å; E79-H88 IonicContact OE2-CE1 2.78Å; E79-H88 PolarHBondContact OE2-CE1 3.33Å; E79-H88 IonicContact OE2-NE2 3.96Å; E79-H88 PolarHBondContact OE2-NE2 3.22Å; H82-H88 HydrophobicContact CB-CB 4.13Å; H82-H88 AromaticContact CD2-CE1 3.87Å; H82-H88 AromaticContact CD2-CG 3.94Å; H82-H88 AromaticContact CD2-ND1 3.74Å; H82-H88 AromaticContact CE1-CE1 3.67Å; H82-H88 AromaticContact CE1-NE2 3.54Å; H82-H88 AromaticContact CG-CD2 3.8Å; H82-H88 AromaticContact CG-CG 3.81Å; H82-H88 AromaticContact ND1-CD2 3.7Å; H82-H88 AromaticContact ND1-NE2 3.62Å; H82-H88 AromaticContact NE2-CE1 3.58Å; H82-H88 AromaticContact NE2-ND1 3.9Å; H82-H88 AromaticContact NE2-NE2 3.91Å; H84-H88 PolarHBondContact O-N 3.45Å; L85-H88 PolarHBondContact O-N 2.92Å; H88-T90 VanDerWaalsContact C-N 3.28Å; H88-T90 PolarHBondContact O-N 3.49Å; H88-D91 PolarHBondContact O-N 2.72Å; H88-L92 WeakPolarHBondContact O-CG 3.13Å; H88-L92 PolarHBondContact O-N 2.97Å
89	L	95.7	Very high	91.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-66.1	-31.1	175.4	-66.7	-176.2	0	0	0	112.3	L85 I87 L92 G93 Y100 L102 V111 N113 L398 I422	L85-L89 HydrophobicContact CD1-CD1 4.08Å; L85-L89 HydrophobicContact CD1-CD2 4.06Å; L85-L89 HydrophobicContact CD1-CG 3.82Å; L85-L89 HydrophobicContact CG-CD1 4.01Å; L85-L89 HydrophobicContact CG-CG 4.14Å; L85-L89 WeakPolarHBondContact O-CB 3.3Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.41Å; L85-L89 PolarHBondContact O-N 3.44Å; I87-L89 VanDerWaalsContact C-N 3.32Å; I87-L89 PolarHBondContact O-N 3.45Å; L89-L92 HydrophobicContact CD2-CD1 4.21Å; L89-G93 PolarHBondContact O-N 2.76Å; L89-Y100 VanDerWaalsContact CA-OH 3.24Å; L89-Y100 WeakPolarHBondContact CA-OH 3.28Å; L89-Y100 WeakPolarHBondContact CB-OH 3.17Å; L89-Y100 VanDerWaalsContact CD2-OH 3.28Å; L89-Y100 WeakPolarHBondContact CD2-OH 3.41Å; L89-Y100 PolarHBondContact O-OH 2.98Å; L89-L102 HydrophobicContact CD2-CD1 3.82Å; L89-V111 HydrophobicContact CB-CG1 4.36Å; L89-V111 HydrophobicContact CD1-CG1 4.35Å; L89-V111 HydrophobicContact CD2-CG2 4.41Å; L89-N113 PolarHBondContact O-OD1 3.43Å; L89-L398 HydrophobicContact CD1-CD1 3.9Å; L89-L398 HydrophobicContact CD1-CD2 3.81Å; L89-I422 HydrophobicContact CD1-CG2 4.44Å
90	T	95.6	Very high	92	Very high	12 Å²	12	51.3 Å²	51.3	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-67.4	-44.1	173.2	-52.9	0	0	0	0	110.9	P86 I87 H88 L92 G93 Q94 N424 G427	P86-T90 PolarHBondContact O-N 3.01Å; P86-T90 VanDerWaalsContact O-N 3.13Å; P86-T90 PolarHBondContact O-OG1 3.21Å; I87-T90 CarbonylContact O-C 3.52Å; I87-T90 WeakPolarHBondContact O-CA 3.47Å; I87-T90 VanDerWaalsContact O-CB 3.23Å; I87-T90 WeakPolarHBondContact O-CB 3.35Å; I87-T90 PolarHBondContact O-N 2.97Å; H88-T90 VanDerWaalsContact C-N 3.28Å; H88-T90 PolarHBondContact O-N 3.49Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 3.22Å; T90-G93 CarbonylContact O-C 3.19Å; T90-G93 VanDerWaalsContact O-CA 3.31Å; T90-G93 WeakPolarHBondContact O-CA 3.43Å; T90-G93 PolarHBondContact O-N 2.83Å; T90-Q94 PolarHBondContact O-N 2.78Å; T90-N424 PolarHBondContact N-ND2 3.02Å; T90-N424 PolarHBondContact OG1-ND2 3.23Å; T90-G427 VanDerWaalsContact OG1-CA 3.28Å; T90-G427 WeakPolarHBondContact OG1-CA 3.38Å
91	D	95.3	Very high	92.4	Very high	60 Å²	60	54.3 Å²	54.3	32%	0.321	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-37.7	177.9	-64.9	-17.6	0	0	0	111.9	I87 H88 G93 Q94 R95	I87-D91 PolarHBondContact O-N 3.08Å; H88-D91 PolarHBondContact O-N 2.72Å; D91-G93 VanDerWaalsContact C-N 3.29Å; D91-G93 PolarHBondContact O-N 3.37Å; D91-Q94 WeakPolarHBondContact O-CB 3.27Å; D91-Q94 PolarHBondContact O-N 2.75Å; D91-R95 PolarHBondContact O-N 2.95Å
92	L	95.8	Very high	93	Very high	8 Å²	8	53 Å²	53	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-37.6	169.8	-70.5	177.2	0	0	0	111.6	E79 H88 L89 T90 Q94 R95 Y96 Y100	E79-L92 HydrophobicContact CB-CD1 4.37Å; H88-L92 WeakPolarHBondContact O-CG 3.13Å; H88-L92 PolarHBondContact O-N 2.97Å; L89-L92 HydrophobicContact CD2-CD1 4.21Å; T90-L92 VanDerWaalsContact C-N 3.33Å; T90-L92 PolarHBondContact O-N 3.22Å; L92-Q94 VanDerWaalsContact C-N 3.28Å; L92-Q94 PolarHBondContact O-N 2.77Å; L92-R95 PolarHBondContact O-N 3.34Å; L92-R95 VanDerWaalsContact O-N 3.08Å; L92-Y96 HydrophobicContact CB-CD2 4.4Å; L92-Y96 HydrophobicContact CD2-CD2 4.3Å; L92-Y96 HydrophobicContact CD2-CE2 3.9Å; L92-Y96 WeakPolarHBondContact O-CD2 3.35Å; L92-Y96 PolarHBondContact O-N 2.99Å; L92-Y100 HydrophobicContact CB-CE1 4.01Å; L92-Y100 HydrophobicContact CB-CE2 4.08Å; L92-Y100 HydrophobicContact CD1-CE2 4.23Å
93	G	94.9	Very high	93.2	Very high	9 Å²	9	53.4 Å²	53.4	9%	0.093	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-35	173.9	0	0	0	0	0	113.2	L89 T90 D91 R95 G97	L89-G93 PolarHBondContact O-N 2.76Å; T90-G93 CarbonylContact O-C 3.19Å; T90-G93 VanDerWaalsContact O-CA 3.31Å; T90-G93 WeakPolarHBondContact O-CA 3.43Å; T90-G93 PolarHBondContact O-N 2.83Å; D91-G93 VanDerWaalsContact C-N 3.29Å; D91-G93 PolarHBondContact O-N 3.37Å; G93-R95 VanDerWaalsContact C-N 3.29Å; G93-R95 PolarHBondContact O-N 3.26Å; G93-G97 WeakPolarHBondContact CA-O 3.1Å; G93-G97 CarbonylContact O-C 3.52Å; G93-G97 WeakPolarHBondContact O-CA 3.48Å; G93-G97 PolarHBondContact O-N 3.44Å; G93-G97 VanDerWaalsContact O-O 3.06Å
94	Q	91.8	Very high	93.6	Very high	140 Å²	140	47 Å²	47	65%	0.654	23%	0.226	S	C	*	.	H	α-helix	trans	-66.1	-31.4	173.9	-63.3	176.2	5.7	0	0	112.4	T90 D91 L92	T90-Q94 PolarHBondContact O-N 2.78Å; D91-Q94 WeakPolarHBondContact O-CB 3.27Å; D91-Q94 PolarHBondContact O-N 2.75Å; L92-Q94 VanDerWaalsContact C-N 3.28Å; L92-Q94 PolarHBondContact O-N 2.77Å
95	R	93.6	Very high	93.4	Very high	195 Å²	195	44.9 Å²	44.9	74%	0.736	22%	0.223	S	C	*	.	H	α-helix	trans	-85.8	-39.2	-179.3	-61.8	-178	-164.9	-176.8	5.6	113.6	D91 L92 G93	D91-R95 PolarHBondContact O-N 2.95Å; L92-R95 PolarHBondContact O-N 3.34Å; L92-R95 VanDerWaalsContact O-N 3.08Å; G93-R95 VanDerWaalsContact C-N 3.29Å; G93-R95 PolarHBondContact O-N 3.26Å
96	Y	95	Very high	92.9	Very high	73 Å²	73	53.1 Å²	53.1	29%	0.286	26%	0.257	S	S	.	.	H	α-helix	trans	-108.1	-2.4	-172.2	-62.4	-72.2	0	0	0	113.6	P66 G67 P68 L92	P66-Y96 WeakPolarHBondContact CG-O 3.25Å; G67-Y96 VanDerWaalsContact C-CE1 3.48Å; P68-Y96 WeakPolarHBondContact CA-OH 3.23Å; P68-Y96 HydrophobicContact CB-CE2 4.03Å; P68-Y96 HydrophobicContact CG-CE2 4.33Å; L92-Y96 HydrophobicContact CB-CD2 4.4Å; L92-Y96 HydrophobicContact CD2-CD2 4.3Å; L92-Y96 HydrophobicContact CD2-CE2 3.9Å; L92-Y96 WeakPolarHBondContact O-CD2 3.35Å; L92-Y96 PolarHBondContact O-N 2.99Å
97	G	94.3	Very high	92.7	Very high	33 Å²	33	54.7 Å²	54.7	34%	0.34	27%	0.267	S	S	.	.			trans	93	174.8	-176.9	0	0	0	0	0	113.3	G93 V99	G93-G97 WeakPolarHBondContact CA-O 3.1Å; G93-G97 CarbonylContact O-C 3.52Å; G93-G97 WeakPolarHBondContact O-CA 3.48Å; G93-G97 PolarHBondContact O-N 3.44Å; G93-G97 VanDerWaalsContact O-O 3.06Å; G97-V99 PolarHBondContact O-N 2.93Å
98	S	93.8	Very high	92.6	Very high	52 Å²	52	53.9 Å²	53.9	36%	0.364	27%	0.265	S	S	.	.	S	Bend	trans	-62.8	-16.4	-174.7	65.7	0	0	0	0	114.5	N113	S98-N113 PolarHBondContact O-N 3.42Å
99	V	97.2	Very high	92.7	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	117.5	178	-170.4	0	0	0	0	109.3	L65 P66 G97 V110 V111 L112 V117 A411 Y413	L65-V99 HydrophobicContact CD2-CG1 3.77Å; P66-V99 VanDerWaalsContact CG-O 3.26Å; P66-V99 WeakPolarHBondContact CG-O 3.36Å; G97-V99 PolarHBondContact O-N 2.93Å; V99-V110 HydrophobicContact CG1-CG1 3.63Å; V99-V111 WeakPolarHBondContact CA-O 3.33Å; V99-L112 HydrophobicContact CG1-CD2 3.99Å; V99-L112 HydrophobicContact CG2-CD2 4.42Å; V99-V117 HydrophobicContact CG2-CB 4.29Å; V99-V117 HydrophobicContact CG2-CG1 3.47Å; V99-V117 VanDerWaalsContact CG2-CG1 3.47Å; V99-V117 HydrophobicContact CG2-CG2 3.95Å; V99-A411 HydrophobicContact CG2-CB 3.97Å; V99-Y413 HydrophobicContact CB-CD2 4.49Å; V99-Y413 HydrophobicContact CG1-CD2 4.44Å
100	Y	97.3	Very high	92.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162	177.2	68.3	-95.6	0	0	0	112.2	P66 L89 L92 L102 V110 V111 N113	P66-Y100 CarbonylContact O-C 3.57Å; P66-Y100 VanDerWaalsContact O-CA 3.3Å; P66-Y100 WeakPolarHBondContact O-CA 3.4Å; P66-Y100 WeakPolarHBondContact O-CB 3.45Å; L89-Y100 VanDerWaalsContact CA-OH 3.24Å; L89-Y100 WeakPolarHBondContact CA-OH 3.28Å; L89-Y100 WeakPolarHBondContact CB-OH 3.17Å; L89-Y100 VanDerWaalsContact CD2-OH 3.28Å; L89-Y100 WeakPolarHBondContact CD2-OH 3.41Å; L89-Y100 PolarHBondContact O-OH 2.98Å; L92-Y100 HydrophobicContact CB-CE1 4.01Å; L92-Y100 HydrophobicContact CB-CE2 4.08Å; L92-Y100 HydrophobicContact CD1-CE2 4.23Å; Y100-L102 HydrophobicContact CD2-CD2 4.27Å; Y100-L102 HydrophobicContact CD2-CG 4.3Å; Y100-L102 HydrophobicContact CE2-CD1 4.19Å; Y100-L102 HydrophobicContact CE2-CD2 3.91Å; Y100-L102 HydrophobicContact CE2-CG 3.87Å; Y100-V110 CarbonylContact O-C 3.56Å; Y100-V110 WeakPolarHBondContact O-CA 3.47Å; Y100-V111 HydrophobicContact CD1-CB 4.4Å; Y100-V111 HydrophobicContact CD2-CB 4.4Å; Y100-V111 HydrophobicContact CD2-CG2 4.39Å; Y100-V111 HydrophobicContact CE1-CB 3.89Å; Y100-V111 HydrophobicContact CE1-CG1 4.12Å; Y100-V111 HydrophobicContact CE2-CB 3.86Å; Y100-V111 HydrophobicContact CE2-CG2 3.66Å; Y100-V111 PolarHBondContact N-O 2.91Å; Y100-V111 PolarHBondContact O-N 2.98Å; Y100-N113 WeakPolarHBondContact CE1-ND2 3.35Å
101	R	96.5	Very high	92.9	Very high	98 Å²	98	52.9 Å²	52.9	37%	0.37	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.4	-176	-179.8	-175	63.8	-154.2	-7.7	111.6	L65 P66 T108 M109	L65-R101 HydrophobicContact CB-CB 3.98Å; L65-R101 HydrophobicContact CD1-CB 4.45Å; P66-R101 PolarHBondContact O-N 2.88Å; R101-T108 HydrophobicContact CG-CG2 3.81Å; R101-M109 CarbonylContact C-O 3.28Å; R101-M109 VanDerWaalsContact CA-O 3.3Å; R101-M109 WeakPolarHBondContact CA-O 3.41Å
102	L	95	Very high	93.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	147.3	161.5	-59	176.4	0	0	0	109.2	P68 N76 E79 L80 L89 Y100 M109 V111	P68-L102 HydrophobicContact CG-CD2 3.5Å; P68-L102 VanDerWaalsContact CG-CD2 3.5Å; N76-L102 HydrophobicContact CB-CB 4.21Å; N76-L102 HydrophobicContact CB-CD2 3.98Å; E79-L102 HydrophobicContact CB-CD2 4.41Å; E79-L102 HydrophobicContact CG-CD2 4.36Å; L80-L102 HydrophobicContact CD2-CD1 3.84Å; L89-L102 HydrophobicContact CD2-CD1 3.82Å; Y100-L102 HydrophobicContact CD2-CD2 4.27Å; Y100-L102 HydrophobicContact CD2-CG 4.3Å; Y100-L102 HydrophobicContact CE2-CD1 4.19Å; Y100-L102 HydrophobicContact CE2-CD2 3.91Å; Y100-L102 HydrophobicContact CE2-CG 3.87Å; L102-M109 HydrophobicContact CB-CB 4.31Å; L102-M109 PolarHBondContact N-O 3.32Å; L102-M109 PolarHBondContact O-N 3.3Å; L102-M109 VanDerWaalsContact O-O 3.07Å; L102-V111 HydrophobicContact CD1-CG2 3.97Å; L102-V111 HydrophobicContact CG-CG2 4.33Å
103	K	90.4	Very high	93.1	Very high	93 Å²	93	50.2 Å²	50.2	40%	0.404	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.2	178.8	-172.5	177.6	-178.2	179	0	110.5	G75 N76 T107	G75-K103 CarbonylContact C-O 3.58Å; G75-K103 VanDerWaalsContact CA-O 3.22Å; G75-K103 WeakPolarHBondContact CA-O 3.48Å; N76-K103 PolarHBondContact N-O 3.49Å; N76-K103 PolarHBondContact OD1-N 3.38Å; N76-K103 PolarHBondContact OD1-O 2.81Å; K103-T107 WeakPolarHBondContact CA-O 3.46Å
104	C	86.1	Confident	93.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	109.1	179.9	-65.2	0	0	0	0	109	M77 L80 K106 T107 M109	M77-C104 HydrophobicContact CE-CB 3.99Å; L80-C104 VanDerWaalsContact CD1-SG 3.52Å; C104-K106 PolarHBondContact O-N 2.87Å; C104-K106 VanDerWaalsContact O-N 3.11Å; C104-T107 PolarHBondContact N-O 3.09Å; C104-T107 WeakPolarHBondContact O-CB 3Å; C104-T107 PolarHBondContact O-N 3.49Å; C104-M109 HydrophobicContact CB-CE 4.5Å
105	G	81.6	Confident	93.3	Very high	25 Å²	25	43.8 Å²	43.8	26%	0.258	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	-116.6	-171.7	0	0	0	0	0	111.9
106	K	80.6	Confident	93.4	Very high	209 Å²	209	40.1 Å²	40.1	91%	0.909	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-10.9	176.5	-63.6	-177.7	-179	-179.8	0	113.4	C104	C104-K106 PolarHBondContact O-N 2.87Å; C104-K106 VanDerWaalsContact O-N 3.11Å
107	T	87.6	Confident	93.5	Very high	43 Å²	43	37.2 Å²	37.2	26%	0.264	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125	-175.4	-54.7	0	0	0	0	109.9	K103 C104 M109 V420	K103-T107 WeakPolarHBondContact CA-O 3.46Å; C104-T107 PolarHBondContact N-O 3.09Å; C104-T107 WeakPolarHBondContact O-CB 3Å; C104-T107 PolarHBondContact O-N 3.49Å; T107-M109 HydrophobicContact CG2-CE 3.83Å; T107-M109 HydrophobicContact CG2-CG 4.12Å; T107-V420 HydrophobicContact CG2-CG2 3.87Å
108	T	92.6	Very high	93.7	Very high	45 Å²	45	35.7 Å²	35.7	28%	0.276	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.7	170	-58.1	0	0	0	0	108.5	R101 T419 V420	R101-T108 HydrophobicContact CG-CG2 3.81Å; T108-T419 HydrophobicContact CG2-CG2 4.23Å; T108-V420 PolarHBondContact O-N 2.78Å
109	M	96	Very high	93.9	Very high	24 Å²	24	35.4 Å²	35.4	12%	0.118	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.9	178.9	-57	173.1	-179.2	0	0	109.1	L80 R101 L102 C104 T107 V420 I422	L80-M109 HydrophobicContact CD1-CE 4Å; L80-M109 HydrophobicContact CD1-SD 3.72Å; R101-M109 CarbonylContact C-O 3.28Å; R101-M109 VanDerWaalsContact CA-O 3.3Å; R101-M109 WeakPolarHBondContact CA-O 3.41Å; L102-M109 HydrophobicContact CB-CB 4.31Å; L102-M109 PolarHBondContact N-O 3.32Å; L102-M109 PolarHBondContact O-N 3.3Å; L102-M109 VanDerWaalsContact O-O 3.07Å; C104-M109 HydrophobicContact CB-CE 4.5Å; T107-M109 HydrophobicContact CG2-CE 3.83Å; T107-M109 HydrophobicContact CG2-CG 4.12Å; M109-V420 CarbonylContact C-O 3.48Å; M109-V420 VanDerWaalsContact CA-O 3.23Å; M109-V420 WeakPolarHBondContact CA-O 3.39Å; M109-V420 HydrophobicContact CB-CB 4.4Å; M109-V420 HydrophobicContact CG-CB 3.94Å; M109-V420 HydrophobicContact CG-CG1 4.19Å; M109-I422 HydrophobicContact CB-CD1 4.2Å; M109-I422 HydrophobicContact CG-CD1 4.49Å; M109-I422 HydrophobicContact SD-CD1 4.05Å
110	V	98.1	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.7	173.9	175.4	0	0	0	0	108.3	L65 V99 Y100 L112 I415 T419 V420 I421 I422	L65-V110 HydrophobicContact CD1-CG2 3.64Å; L65-V110 HydrophobicContact CD2-CG1 4.43Å; V99-V110 HydrophobicContact CG1-CG1 3.63Å; Y100-V110 CarbonylContact O-C 3.56Å; Y100-V110 WeakPolarHBondContact O-CA 3.47Å; V110-L112 HydrophobicContact CG1-CD2 3.84Å; V110-I415 HydrophobicContact CG1-CD1 4.46Å; V110-I415 HydrophobicContact CG2-CD1 4.26Å; V110-T419 HydrophobicContact CB-CG2 4.3Å; V110-T419 HydrophobicContact CG2-CG2 3.61Å; V110-V420 PolarHBondContact N-O 3.34Å; V110-I421 HydrophobicContact CB-CD1 4.01Å; V110-I421 CarbonylContact O-C 3.43Å; V110-I421 WeakPolarHBondContact O-CA 3.22Å; V110-I422 PolarHBondContact O-N 2.78Å
111	V	98.3	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.7	-179.9	-171	0	0	0	0	109	L89 V99 Y100 L102 I422 N424	L89-V111 HydrophobicContact CB-CG1 4.36Å; L89-V111 HydrophobicContact CD1-CG1 4.35Å; L89-V111 HydrophobicContact CD2-CG2 4.41Å; V99-V111 WeakPolarHBondContact CA-O 3.33Å; Y100-V111 HydrophobicContact CD1-CB 4.4Å; Y100-V111 HydrophobicContact CD2-CB 4.4Å; Y100-V111 HydrophobicContact CD2-CG2 4.39Å; Y100-V111 HydrophobicContact CE1-CB 3.89Å; Y100-V111 HydrophobicContact CE1-CG1 4.12Å; Y100-V111 HydrophobicContact CE2-CB 3.86Å; Y100-V111 HydrophobicContact CE2-CG2 3.66Å; Y100-V111 PolarHBondContact N-O 2.91Å; Y100-V111 PolarHBondContact O-N 2.98Å; L102-V111 HydrophobicContact CD1-CG2 3.97Å; L102-V111 HydrophobicContact CG-CG2 4.33Å; V111-I422 WeakPolarHBondContact CA-O 3.27Å; V111-I422 HydrophobicContact CG2-CB 4.33Å; V111-I422 HydrophobicContact CG2-CD1 4.37Å; V111-N424 HydrophobicContact CG1-CB 4.06Å
112	L	98.3	Very high	94	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.4	179.5	-45.8	-177.1	0	0	0	109.1	V99 V110 V117 I118 A121 I410 I421 I422 N424	V99-L112 HydrophobicContact CG1-CD2 3.99Å; V99-L112 HydrophobicContact CG2-CD2 4.42Å; V110-L112 HydrophobicContact CG1-CD2 3.84Å; L112-V117 HydrophobicContact CB-CG1 4.08Å; L112-V117 HydrophobicContact CD1-CG1 4.2Å; L112-V117 HydrophobicContact CD2-CG1 3.72Å; L112-V117 HydrophobicContact CG-CG1 4.21Å; L112-I118 HydrophobicContact CB-CG1 3.63Å; L112-I118 HydrophobicContact CD1-CG1 4.34Å; L112-A121 HydrophobicContact CD1-CB 3.7Å; L112-I410 HydrophobicContact CD1-CD1 4.36Å; L112-I410 HydrophobicContact CD2-CD1 4.28Å; L112-I410 HydrophobicContact CD2-CG2 4Å; L112-I421 HydrophobicContact CD1-CG2 3.47Å; L112-I421 VanDerWaalsContact CD1-CG2 3.47Å; L112-I421 HydrophobicContact CD2-CG2 4.36Å; L112-I421 HydrophobicContact CG-CG2 3.8Å; L112-I422 PolarHBondContact N-O 2.85Å; L112-N424 WeakPolarHBondContact O-CA 3.49Å; L112-N424 WeakPolarHBondContact O-CB 3.45Å; L112-N424 PolarHBondContact O-N 3.43Å
113	N	97	Very high	94.1	Very high	13 Å²	13	35.7 Å²	35.7	7%	0.07	18%	0.18	C	C	.	.			trans	-114.6	4.9	-171.7	-66.2	-84.1	0	0	0	114.6	L89 S98 Y100 N424 G427 A428	L89-N113 PolarHBondContact O-OD1 3.43Å; S98-N113 PolarHBondContact O-N 3.42Å; Y100-N113 WeakPolarHBondContact CE1-ND2 3.35Å; N113-N424 WeakPolarHBondContact OD1-CB 3.21Å; N113-N424 PolarHBondContact OD1-ND2 2.87Å; N113-G427 CarbonylContact O-C 3.48Å; N113-A428 VanDerWaalsContact O-CA 3.24Å; N113-A428 WeakPolarHBondContact O-CA 3.4Å; N113-A428 PolarHBondContact O-N 3.21Å
114	S	95.6	Very high	94.4	Very high	13 Å²	13	38.9 Å²	38.9	9%	0.091	19%	0.194	C	C	.	.	S	Bend	trans	-127	147.5	176	75.4	0	0	0	0	112.2	E116 V117 I118	S114-E116 PolarHBondContact O-N 3.03Å; S114-V117 PolarHBondContact O-N 2.97Å; S114-V117 VanDerWaalsContact OG-CG2 3.25Å; S114-V117 WeakPolarHBondContact OG-CG2 3.48Å; S114-I118 VanDerWaalsContact O-CG1 3.31Å; S114-I118 WeakPolarHBondContact O-CG1 3.27Å; S114-I118 PolarHBondContact O-N 3.24Å
115	C	95.5	Very high	95	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-33.2	-177.1	-74	0	0	0	0	112.8	R119 A428 F456 M458	C115-R119 WeakPolarHBondContact O-CB 3.45Å; C115-R119 PolarHBondContact O-N 2.63Å; C115-A428 PolarHBondContact SG-O 3.18Å; C115-F456 HydrophobicContact CB-CB 4.4Å; C115-F456 HydrophobicContact CB-CD1 3.92Å; C115-F456 PolarHBondContact SG-O 3.11Å; C115-M458 HydrophobicContact CB-CE 4.02Å; C115-M458 WeakPolarHBondContact O-CE 3.32Å
116	E	95.4	Very high	95.7	Very high	118 Å²	118	44.7 Å²	44.7	55%	0.551	21%	0.21	S	C	*	.	H	α-helix	trans	-69.8	-45.1	-179.4	-60.1	-163.4	140.8	0	0	112.5	S114 R119 E120 F456	S114-E116 PolarHBondContact O-N 3.03Å; E116-R119 PolarHBondContact O-N 2.89Å; E116-E120 PolarHBondContact O-N 3.35Å; E116-F456 HydrophobicContact CG-CE1 4.17Å
117	V	96.9	Very high	96.5	Very high	12 Å²	12	36.8 Å²	36.8	7%	0.073	18%	0.181	C	C	.	.	H	α-helix	trans	-68.3	-42.6	178.4	175.7	0	0	0	0	110.4	V99 L112 S114 R119 E120 A121 I410 A411	V99-V117 HydrophobicContact CG2-CB 4.29Å; V99-V117 HydrophobicContact CG2-CG1 3.47Å; V99-V117 VanDerWaalsContact CG2-CG1 3.47Å; V99-V117 HydrophobicContact CG2-CG2 3.95Å; L112-V117 HydrophobicContact CB-CG1 4.08Å; L112-V117 HydrophobicContact CD1-CG1 4.2Å; L112-V117 HydrophobicContact CD2-CG1 3.72Å; L112-V117 HydrophobicContact CG-CG1 4.21Å; S114-V117 PolarHBondContact O-N 2.97Å; S114-V117 VanDerWaalsContact OG-CG2 3.25Å; S114-V117 WeakPolarHBondContact OG-CG2 3.48Å; V117-R119 VanDerWaalsContact C-N 3.28Å; V117-R119 PolarHBondContact O-N 3.48Å; V117-E120 WeakPolarHBondContact O-CB 3.38Å; V117-E120 PolarHBondContact O-N 3.02Å; V117-A121 PolarHBondContact O-N 2.89Å; V117-I410 HydrophobicContact CG1-CG2 3.34Å; V117-A411 HydrophobicContact CG2-CB 4.2Å
118	I	97.9	Very high	97	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-42.6	174.3	-67.8	172.4	0	0	0	110	L112 S114 A121 L122 P423 L425 A428 M458	L112-I118 HydrophobicContact CB-CG1 3.63Å; L112-I118 HydrophobicContact CD1-CG1 4.34Å; S114-I118 VanDerWaalsContact O-CG1 3.31Å; S114-I118 WeakPolarHBondContact O-CG1 3.27Å; S114-I118 PolarHBondContact O-N 3.24Å; I118-A121 PolarHBondContact O-N 3.33Å; I118-L122 HydrophobicContact CG2-CD1 3.66Å; I118-L122 HydrophobicContact CG2-CG 4Å; I118-L122 WeakPolarHBondContact O-CB 3.29Å; I118-L122 WeakPolarHBondContact O-CG 3.44Å; I118-L122 PolarHBondContact O-N 2.72Å; I118-P423 HydrophobicContact CD1-CB 4.3Å; I118-P423 HydrophobicContact CG1-CB 4.3Å; I118-P423 HydrophobicContact CG2-CB 4.16Å; I118-L425 HydrophobicContact CD1-CD2 4.16Å; I118-L425 HydrophobicContact CG2-CD2 4.34Å; I118-A428 HydrophobicContact CD1-CB 3.66Å; I118-M458 HydrophobicContact CB-CE 3.84Å; I118-M458 HydrophobicContact CG2-CE 3.58Å
119	R	97.2	Very high	97.3	Very high	46 Å²	46	33.9 Å²	33.9	17%	0.174	16%	0.162	C	C	.	.	H	α-helix	trans	-66.7	-36.6	176.5	-173.7	177.4	-61.8	113.7	7.4	112.8	C115 E116 V117 V123 K124 R455 M458	C115-R119 WeakPolarHBondContact O-CB 3.45Å; C115-R119 PolarHBondContact O-N 2.63Å; E116-R119 PolarHBondContact O-N 2.89Å; V117-R119 VanDerWaalsContact C-N 3.28Å; V117-R119 PolarHBondContact O-N 3.48Å; R119-V123 HydrophobicContact CG-CB 3.95Å; R119-V123 HydrophobicContact CG-CG2 4.02Å; R119-V123 WeakPolarHBondContact O-CA 3.48Å; R119-V123 VanDerWaalsContact O-CB 3.3Å; R119-V123 WeakPolarHBondContact O-CB 3.49Å; R119-V123 PolarHBondContact O-N 2.89Å; R119-K124 PolarHBondContact O-N 3.41Å; R119-R455 PolarHBondContact NH2-O 3.33Å; R119-M458 HydrophobicContact CB-SD 4.3Å; R119-M458 PolarHBondContact NH2-SD 3.03Å
120	E	98	Very high	97.4	Very high	36 Å²	36	32.8 Å²	32.8	17%	0.168	16%	0.157	C	C	.	.	I	π-helix	trans	-56.7	-52.4	172.8	-172.4	-168.4	164.8	0	0	110.4	E116 V117 K124 K125 A411	E116-E120 PolarHBondContact O-N 3.35Å; V117-E120 WeakPolarHBondContact O-CB 3.38Å; V117-E120 PolarHBondContact O-N 3.02Å; E120-K124 WeakPolarHBondContact O-CB 3.2Å; E120-K124 PolarHBondContact O-N 3.26Å; E120-K125 HydrophobicContact CG-CD 4.27Å; E120-K125 WeakPolarHBondContact O-CB 3.29Å; E120-K125 PolarHBondContact O-N 3.17Å; E120-K125 IonicContact OE1-NZ 3.36Å; E120-K125 PolarHBondContact OE1-NZ 2.94Å; E120-A411 PolarHBondContact OE1-N 2.86Å; E120-A411 PolarHBondContact OE2-N 2.68Å
121	A	98.1	Very high	97.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-68.6	-50.8	-177.9	0	0	0	0	0	112.6	L112 V117 I118 K125 W126 F129 I410	L112-A121 HydrophobicContact CD1-CB 3.7Å; V117-A121 PolarHBondContact O-N 2.89Å; I118-A121 PolarHBondContact O-N 3.33Å; A121-K125 CarbonylContact O-C 3.45Å; A121-K125 VanDerWaalsContact O-C 3.28Å; A121-W126 PolarHBondContact O-N 3.34Å; A121-F129 HydrophobicContact CB-CD2 4.03Å; A121-F129 HydrophobicContact CB-CE2 4.45Å; A121-F129 HydrophobicContact CB-CG 4.42Å; A121-F129 WeakPolarHBondContact O-CD2 3.05Å; A121-I410 HydrophobicContact CB-CD1 3.8Å; A121-I410 HydrophobicContact CB-CG1 4.22Å
122	L	97.7	Very high	97.3	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	16%	0.16	C	C	.	.	I	π-helix	trans	-82.8	-30.6	-169.7	-58.9	-167.3	0	0	0	113.4	I118 W126 P423 G463	I118-L122 HydrophobicContact CG2-CD1 3.66Å; I118-L122 HydrophobicContact CG2-CG 4Å; I118-L122 WeakPolarHBondContact O-CB 3.29Å; I118-L122 WeakPolarHBondContact O-CG 3.44Å; I118-L122 PolarHBondContact O-N 2.72Å; L122-W126 WeakPolarHBondContact O-CB 3.39Å; L122-P423 HydrophobicContact CD1-CB 4.27Å; L122-P423 HydrophobicContact CD1-CG 4.08Å; L122-P423 HydrophobicContact CD2-CG 4.26Å; L122-G463 VanDerWaalsContact O-CA 3.26Å; L122-G463 WeakPolarHBondContact O-CA 3.22Å
123	V	96.9	Very high	97.1	Very high	63 Å²	63	35.7 Å²	35.7	38%	0.382	17%	0.173	S	C	.	.	I	π-helix	trans	-110.2	-54.6	-174.2	-176.2	0	0	0	0	111.4	R119 W126	R119-V123 HydrophobicContact CG-CB 3.95Å; R119-V123 HydrophobicContact CG-CG2 4.02Å; R119-V123 WeakPolarHBondContact O-CA 3.48Å; R119-V123 VanDerWaalsContact O-CB 3.3Å; R119-V123 WeakPolarHBondContact O-CB 3.49Å; R119-V123 PolarHBondContact O-N 2.89Å; V123-W126 VanDerWaalsContact O-CD1 3.3Å
124	K	97.8	Very high	96.7	Very high	161 Å²	161	41.7 Å²	41.7	70%	0.7	20%	0.204	S	C	*	.	I	π-helix	trans	-71.7	-41.3	-175.4	-60.8	-176.6	179.4	177.6	0	112	R119 E120	R119-K124 PolarHBondContact O-N 3.41Å; E120-K124 WeakPolarHBondContact O-CB 3.2Å; E120-K124 PolarHBondContact O-N 3.26Å
125	K	97.9	Very high	96.5	Very high	47 Å²	47	42 Å²	42	20%	0.204	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	32.4	-179.3	-64.4	177.8	173.2	166	0	111.7	E120 A121 S127 D128 F129 S409	E120-K125 HydrophobicContact CG-CD 4.27Å; E120-K125 WeakPolarHBondContact O-CB 3.29Å; E120-K125 PolarHBondContact O-N 3.17Å; E120-K125 IonicContact OE1-NZ 3.36Å; E120-K125 PolarHBondContact OE1-NZ 2.94Å; A121-K125 CarbonylContact O-C 3.45Å; A121-K125 VanDerWaalsContact O-C 3.28Å; K125-S127 PolarHBondContact O-N 3.05Å; K125-S127 VanDerWaalsContact O-N 3.07Å; K125-D128 HydrophobicContact CB-CB 4.45Å; K125-D128 WeakPolarHBondContact O-CB 3.24Å; K125-D128 PolarHBondContact O-N 3.01Å; K125-F129 HydrophobicContact CB-CD2 3.83Å; K125-F129 HydrophobicContact CB-CE2 3.77Å; K125-F129 HydrophobicContact CD-CE2 4.09Å; K125-F129 WeakPolarHBondContact O-CD2 3.32Å; K125-F129 PolarHBondContact O-N 2.75Å; K125-S409 WeakPolarHBondContact CD-O 2.98Å; K125-S409 PolarHBondContact NZ-O 3.29Å; K125-S409 PolarHBondContact NZ-OG 3.31Å
126	W	97	Very high	96.3	Very high	100 Å²	100	46.1 Å²	46.1	38%	0.379	22%	0.222	S	C	.	.	H	α-helix	trans	-53	-37.4	-176	73.7	-100.3	0	0	0	111.7	A121 L122 V123 D128 F129 A130 Y153 A464	A121-W126 PolarHBondContact O-N 3.34Å; L122-W126 WeakPolarHBondContact O-CB 3.39Å; V123-W126 VanDerWaalsContact O-CD1 3.3Å; W126-D128 PolarHBondContact O-N 2.97Å; W126-F129 PolarHBondContact O-N 3.37Å; W126-A130 HydrophobicContact CE3-CB 4.32Å; W126-A130 WeakPolarHBondContact O-CB 3.48Å; W126-A130 PolarHBondContact O-N 2.87Å; W126-Y153 WeakPolarHBondContact CH2-OH 3.47Å; W126-Y153 AromaticContact CZ3-CE1 3.96Å; W126-Y153 HydrophobicContact CZ3-CE1 3.96Å; W126-Y153 HydrophobicContact CZ3-CE2 4.18Å; W126-Y153 AromaticContact CZ3-CZ 3.48Å; W126-Y153 VanDerWaalsContact CZ3-CZ 3.48Å; W126-Y153 WeakPolarHBondContact CZ3-OH 3.33Å; W126-A464 HydrophobicContact CD2-CB 4.14Å; W126-A464 HydrophobicContact CE3-CB 3.52Å; W126-A464 HydrophobicContact CZ3-CB 4.1Å
127	S	97	Very high	96	Very high	42 Å²	42	40.6 Å²	40.6	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-67.6	-14.2	-179.3	58.8	0	0	0	0	114.1	K125 I405 R406	K125-S127 PolarHBondContact O-N 3.05Å; K125-S127 VanDerWaalsContact O-N 3.07Å; S127-I405 WeakPolarHBondContact O-CD1 3.49Å; S127-I405 WeakPolarHBondContact O-CG1 3.45Å; S127-R406 PolarHBondContact O-NH2 3.18Å
128	D	98.3	Very high	95.8	Very high	26 Å²	26	40.2 Å²	40.2	14%	0.139	20%	0.195	C	C	.	.	H	α-helix	trans	-98.4	-27.9	178.6	-61.9	-9.2	0	0	0	111.2	K125 W126 A404 I405 R406 S408	K125-D128 HydrophobicContact CB-CB 4.45Å; K125-D128 WeakPolarHBondContact O-CB 3.24Å; K125-D128 PolarHBondContact O-N 3.01Å; W126-D128 PolarHBondContact O-N 2.97Å; D128-A404 CarbonylContact O-C 3.49Å; D128-A404 VanDerWaalsContact O-CA 3.3Å; D128-A404 WeakPolarHBondContact O-CA 3.37Å; D128-I405 WeakPolarHBondContact O-CG1 3.49Å; D128-I405 PolarHBondContact O-N 3.43Å; D128-R406 HydrophobicContact CB-CG 4.31Å; D128-R406 WeakPolarHBondContact OD1-CD 3.15Å; D128-R406 IonicContact OD1-CZ 2.66Å; D128-R406 IonicContact OD1-NE 3.27Å; D128-R406 PolarHBondContact OD1-NE 2.87Å; D128-S408 WeakPolarHBondContact OD2-CB 3.37Å; D128-S408 PolarHBondContact OD2-OG 3.42Å
129	F	98.3	Very high	95.5	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-119.2	12	-172.1	-57	-69.3	0	0	0	114	A121 K125 W126 G131 H402 A404 I410 I415 I421	A121-F129 HydrophobicContact CB-CD2 4.03Å; A121-F129 HydrophobicContact CB-CE2 4.45Å; A121-F129 HydrophobicContact CB-CG 4.42Å; A121-F129 WeakPolarHBondContact O-CD2 3.05Å; K125-F129 HydrophobicContact CB-CD2 3.83Å; K125-F129 HydrophobicContact CB-CE2 3.77Å; K125-F129 HydrophobicContact CD-CE2 4.09Å; K125-F129 WeakPolarHBondContact O-CD2 3.32Å; K125-F129 PolarHBondContact O-N 2.75Å; W126-F129 PolarHBondContact O-N 3.37Å; F129-G131 PolarHBondContact O-N 3.37Å; F129-H402 WeakPolarHBondContact O-CB 3.5Å; F129-H402 PolarHBondContact O-ND1 3.26Å; F129-A404 HydrophobicContact CD1-CB 3.9Å; F129-A404 HydrophobicContact CE1-CB 3.84Å; F129-I410 HydrophobicContact CD1-CD1 4.37Å; F129-I410 HydrophobicContact CE1-CD1 3.81Å; F129-I410 HydrophobicContact CE1-CG1 4.24Å; F129-I410 HydrophobicContact CE2-CD1 4Å; F129-I410 HydrophobicContact CE2-CG1 3.76Å; F129-I410 HydrophobicContact CZ-CD1 3.6Å; F129-I410 HydrophobicContact CZ-CG1 3.51Å; F129-I415 HydrophobicContact CE1-CB 4.3Å; F129-I415 HydrophobicContact CE1-CG2 3.91Å; F129-I415 HydrophobicContact CZ-CB 4.43Å; F129-I421 HydrophobicContact CD1-CD1 4.29Å; F129-I421 HydrophobicContact CD1-CG1 3.76Å; F129-I421 HydrophobicContact CE1-CD1 4.27Å; F129-I421 HydrophobicContact CE1-CG1 4.24Å
130	A	97.6	Very high	95.3	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.017	22%	0.216	C	C	.	.			trans	-74.8	-8.2	179.5	0	0	0	0	0	114.6	W126 Y153 A464 R465	W126-A130 HydrophobicContact CE3-CB 4.32Å; W126-A130 WeakPolarHBondContact O-CB 3.48Å; W126-A130 PolarHBondContact O-N 2.87Å; A130-Y153 HydrophobicContact CB-CD1 4.26Å; A130-Y153 HydrophobicContact CB-CD2 3.55Å; A130-Y153 HydrophobicContact CB-CE2 4Å; A130-Y153 HydrophobicContact CB-CG 3.69Å; A130-A464 HydrophobicContact CB-CB 4.31Å; A130-R465 VanDerWaalsContact O-CZ 3.31Å; A130-R465 PolarHBondContact O-NE 2.72Å; A130-R465 PolarHBondContact O-NH2 2.85Å
131	G	97.5	Very high	95	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-67.9	162.6	-179.9	0	0	0	0	0	112.7	F129 D152 H402 R403	F129-G131 PolarHBondContact O-N 3.37Å; G131-D152 WeakPolarHBondContact CA-OD1 3.39Å; G131-H402 CarbonylContact O-C 3.23Å; G131-H402 WeakPolarHBondContact O-CA 3.15Å; G131-R403 WeakPolarHBondContact CA-O 3.3Å; G131-R403 PolarHBondContact N-O 3.46Å; G131-R403 PolarHBondContact O-N 3.26Å
132	R	96.5	Very high	94.8	Very high	18 Å²	18	42.5 Å²	42.5	7%	0.068	21%	0.212	C	C	.	.			trans	-108.1	149.9	169.4	-71.1	-63.3	-168.9	-147.9	-2.7	111.1	S149 L150 G151 D152 V400 P401 H402 R403	R132-S149 PolarHBondContact NE-O 3.48Å; R132-S149 PolarHBondContact NH2-O 2.84Å; R132-L150 VanDerWaalsContact CB-O 3.25Å; R132-L150 WeakPolarHBondContact CB-O 3.37Å; R132-L150 WeakPolarHBondContact CG-O 3.27Å; R132-G151 WeakPolarHBondContact CG-O 3.38Å; R132-D152 PolarHBondContact N-OD1 3Å; R132-V400 VanDerWaalsContact CZ-CG1 3.45Å; R132-V400 PolarHBondContact NH1-O 3.39Å; R132-P401 WeakPolarHBondContact CD-O 3.19Å; R132-P401 PolarHBondContact NH1-O 3.2Å; R132-H402 PolarHBondContact NH1-CD2 3.4Å; R132-H402 VanDerWaalsContact NH1-CD2 3.29Å; R132-H402 PolarHBondContact NH1-NE2 2.9Å; R132-R403 WeakPolarHBondContact O-CB 3.35Å; R132-R403 WeakPolarHBondContact O-CD 3.33Å; R132-R403 PolarHBondContact O-NE 3.18Å
133	P	94	Very high	94.5	Very high	42 Å²	42	43.2 Å²	43.2	27%	0.273	22%	0.22	S	C	.	.			trans	-57.9	140.6	173.7	-24	34.3	0	0	0	111.2	S135 P401 V420	P133-S135 PolarHBondContact O-N 3.06Å; P133-P401 WeakPolarHBondContact CD-O 3.42Å; P133-P401 HydrophobicContact CG-CB 3.86Å; P133-V420 HydrophobicContact CB-CG2 4.02Å; P133-V420 HydrophobicContact CG-CG1 4Å; P133-V420 HydrophobicContact CG-CG2 4.03Å
134	I	89.5	Confident	94.3	Very high	140 Å²	140	42.4 Å²	42.4	72%	0.718	23%	0.225	S	C	*	.			trans	-72.4	116	173	-57.6	169.2	0	0	0	107.2
135	S	90.8	Very high	93.9	Very high	19 Å²	19	35.7 Å²	35.7	13%	0.133	20%	0.201	C	C	.	.			trans	-135.7	121.3	-173.3	170.5	0	0	0	0	110	P133 T137 G138 D139 D252	P133-S135 PolarHBondContact O-N 3.06Å; S135-T137 VanDerWaalsContact C-N 3.35Å; S135-T137 PolarHBondContact OG-OG1 3.01Å; S135-G138 PolarHBondContact O-N 3.21Å; S135-G138 WeakPolarHBondContact OG-CA 3.22Å; S135-G138 PolarHBondContact OG-N 3.16Å; S135-D139 PolarHBondContact O-N 3.43Å; S135-D252 PolarHBondContact OG-OD1 3.02Å; S135-D252 PolarHBondContact OG-OD2 3.41Å
136	Y	91	Very high	93.7	Very high	88 Å²	88	38.2 Å²	38.2	35%	0.345	21%	0.21	S	C	.	.	H	α-helix	trans	-64.9	-42.1	176.1	167.9	-101.9	0	0	0	111	I140 D252 R258 F265	Y136-I140 HydrophobicContact CD1-CD1 4.41Å; Y136-I140 HydrophobicContact CE1-CD1 3.9Å; Y136-I140 HydrophobicContact CE2-CD1 4.19Å; Y136-I140 WeakPolarHBondContact O-CG1 3.31Å; Y136-D252 WeakPolarHBondContact CA-OD1 3.4Å; Y136-D252 WeakPolarHBondContact CB-OD1 3.36Å; Y136-D252 PolarHBondContact N-OD1 3.45Å; Y136-R258 VanDerWaalsContact CB-CZ 3.49Å; Y136-R258 HydrophobicContact CD1-CG 4.25Å; Y136-R258 HydrophobicContact CE1-CG 4.2Å; Y136-F265 HydrophobicContact CE1-CE1 4.26Å; Y136-F265 HydrophobicContact CE1-CE2 4.15Å; Y136-F265 AromaticContact CE1-CZ 3.59Å; Y136-F265 HydrophobicContact CE1-CZ 3.59Å
137	T	91.1	Very high	93.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-73.7	-36.6	178.8	69.8	0	0	0	0	111.4	S135 I140 V141 W243 I248 L251 D252	S135-T137 VanDerWaalsContact C-N 3.35Å; S135-T137 PolarHBondContact OG-OG1 3.01Å; T137-I140 PolarHBondContact O-N 2.81Å; T137-V141 PolarHBondContact O-N 3.38Å; T137-W243 PolarHBondContact OG1-NE1 2.63Å; T137-I248 HydrophobicContact CG2-CG2 3.66Å; T137-L251 HydrophobicContact CG2-CB 3.93Å; T137-L251 HydrophobicContact CG2-CD1 4.15Å; T137-D252 PolarHBondContact N-OD1 3.35Å; T137-D252 PolarHBondContact OG1-OD2 2.83Å
138	G	90.9	Very high	93.4	Very high	4 Å²	4	32.2 Å²	32.2	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-45.8	174.5	0	0	0	0	0	112.4	S135 I140 V141 S142	S135-G138 PolarHBondContact O-N 3.21Å; S135-G138 WeakPolarHBondContact OG-CA 3.22Å; S135-G138 PolarHBondContact OG-N 3.16Å; G138-I140 VanDerWaalsContact C-N 3.29Å; G138-I140 PolarHBondContact O-N 3.05Å; G138-V141 VanDerWaalsContact O-CG2 3.27Å; G138-V141 WeakPolarHBondContact O-CG2 3.45Å; G138-V141 PolarHBondContact O-N 3.35Å; G138-S142 VanDerWaalsContact O-CB 3.22Å; G138-S142 WeakPolarHBondContact O-CB 3.18Å; G138-S142 PolarHBondContact O-N 3.47Å; G138-S142 PolarHBondContact O-OG 3.01Å
139	D	92.8	Very high	93.2	Very high	75 Å²	75	32.9 Å²	32.9	40%	0.401	19%	0.188	S	C	.	.	H	α-helix	trans	-59.6	-40.8	177.4	-72.8	-15.8	0	0	0	111.6	S135 S142 G143 G144	S135-D139 PolarHBondContact O-N 3.43Å; D139-S142 WeakPolarHBondContact CA-OG 3.5Å; D139-S142 PolarHBondContact O-N 3.43Å; D139-S142 PolarHBondContact O-OG 3.4Å; D139-G143 PolarHBondContact O-N 2.63Å; D139-G144 WeakPolarHBondContact O-CA 3.48Å; D139-G144 PolarHBondContact O-N 3.24Å
140	I	92.1	Very high	93	Very high	45 Å²	45	34.5 Å²	34.5	23%	0.231	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-48	179.3	-69.9	169.5	0	0	0	111.3	Y136 T137 G138 S142 F265 L269	Y136-I140 HydrophobicContact CD1-CD1 4.41Å; Y136-I140 HydrophobicContact CE1-CD1 3.9Å; Y136-I140 HydrophobicContact CE2-CD1 4.19Å; Y136-I140 WeakPolarHBondContact O-CG1 3.31Å; T137-I140 PolarHBondContact O-N 2.81Å; G138-I140 VanDerWaalsContact C-N 3.29Å; G138-I140 PolarHBondContact O-N 3.05Å; I140-S142 PolarHBondContact O-N 3.43Å; I140-F265 HydrophobicContact CD1-CE2 3.89Å; I140-F265 HydrophobicContact CD1-CZ 3.52Å; I140-L269 HydrophobicContact CD1-CD2 4.35Å; I140-L269 HydrophobicContact CG2-CD2 3.57Å
141	V	93	Very high	92.8	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	20%	0.196	C	C	.	.	H	α-helix	trans	-72.7	-17.2	-179.2	-58.8	0	0	0	0	112.6	T137 G138 L150 I239 L268 V272 R275	T137-V141 PolarHBondContact O-N 3.38Å; G138-V141 VanDerWaalsContact O-CG2 3.27Å; G138-V141 WeakPolarHBondContact O-CG2 3.45Å; G138-V141 PolarHBondContact O-N 3.35Å; V141-L150 HydrophobicContact CG2-CD1 3.85Å; V141-I239 HydrophobicContact CG1-CG2 4.21Å; V141-L268 HydrophobicContact CG1-CD1 4.07Å; V141-L268 HydrophobicContact CG1-CD2 4.28Å; V141-L268 HydrophobicContact CG1-CG 4.41Å; V141-V272 HydrophobicContact CB-CG2 4.46Å; V141-V272 HydrophobicContact CG1-CG2 3.91Å; V141-R275 PolarHBondContact O-NH1 3.3Å; V141-R275 PolarHBondContact O-NH2 2.93Å; V141-R275 VanDerWaalsContact O-NH2 3.15Å
142	S	92.9	Very high	92.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	13.6	-173.8	63.9	0	0	0	0	115.3	G138 D139 I140 G144 G145 R146 N147	G138-S142 VanDerWaalsContact O-CB 3.22Å; G138-S142 WeakPolarHBondContact O-CB 3.18Å; G138-S142 PolarHBondContact O-N 3.47Å; G138-S142 PolarHBondContact O-OG 3.01Å; D139-S142 WeakPolarHBondContact CA-OG 3.5Å; D139-S142 PolarHBondContact O-N 3.43Å; D139-S142 PolarHBondContact O-OG 3.4Å; I140-S142 PolarHBondContact O-N 3.43Å; S142-G144 VanDerWaalsContact C-N 3.32Å; S142-G144 PolarHBondContact O-N 2.9Å; S142-G145 PolarHBondContact O-N 3.38Å; S142-G145 VanDerWaalsContact OG-CA 3.26Å; S142-G145 WeakPolarHBondContact OG-CA 3.49Å; S142-G145 PolarHBondContact OG-N 3.08Å; S142-R146 PolarHBondContact O-N 3.41Å; S142-N147 PolarHBondContact O-N 3.05Å
143	G	92.1	Very high	92.6	Very high	21 Å²	21	38.9 Å²	38.9	22%	0.216	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	32.9	180	0	0	0	0	0	113.5	D139 R146	D139-G143 PolarHBondContact O-N 2.63Å; G143-R146 PolarHBondContact O-NH1 3.27Å
144	G	91.6	Very high	92.6	Very high	46 Å²	46	39.7 Å²	39.7	47%	0.474	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	34.4	-175.2	0	0	0	0	0	113.5	D139 S142	D139-G144 WeakPolarHBondContact O-CA 3.48Å; D139-G144 PolarHBondContact O-N 3.24Å; S142-G144 VanDerWaalsContact C-N 3.32Å; S142-G144 PolarHBondContact O-N 2.9Å
145	G	91.1	Very high	92.7	Very high	20 Å²	20	38.2 Å²	38.2	21%	0.206	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	17.5	-178.1	0	0	0	0	0	114.2	S142 N147 G151	S142-G145 PolarHBondContact O-N 3.38Å; S142-G145 VanDerWaalsContact OG-CA 3.26Å; S142-G145 WeakPolarHBondContact OG-CA 3.49Å; S142-G145 PolarHBondContact OG-N 3.08Å; G145-N147 VanDerWaalsContact C-N 3.34Å; G145-G151 WeakPolarHBondContact O-CA 3.43Å
146	R	92.9	Very high	92.7	Very high	101 Å²	101	41 Å²	41	38%	0.381	22%	0.223	S	C	.	.			trans	-93	9.8	-176.1	-64.2	-176.1	-173.7	108.2	-5.6	113.9	S142 G143 H160 V320	S142-R146 PolarHBondContact O-N 3.41Å; G143-R146 PolarHBondContact O-NH1 3.27Å; R146-H160 PolarHBondContact O-CE1 3.08Å; R146-H160 PolarHBondContact O-ND1 3.37Å; R146-H160 VanDerWaalsContact O-ND1 3.16Å; R146-V320 HydrophobicContact CB-CG1 4.19Å
147	N	93.1	Very high	92.9	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.032	21%	0.209	C	C	.	.	S	Bend	trans	-88.7	171.4	170.5	81.7	-15.6	0	0	0	111.6	S142 G145 S149 L150 G151 M324 D328	S142-N147 PolarHBondContact O-N 3.05Å; G145-N147 VanDerWaalsContact C-N 3.34Å; N147-S149 PolarHBondContact ND2-OG 2.97Å; N147-L150 WeakPolarHBondContact OD1-CA 3.16Å; N147-L150 VanDerWaalsContact OD1-CB 3.31Å; N147-L150 WeakPolarHBondContact OD1-CB 3.33Å; N147-L150 PolarHBondContact OD1-N 3.27Å; N147-G151 PolarHBondContact O-N 2.8Å; N147-G151 PolarHBondContact OD1-N 3.24Å; N147-M324 HydrophobicContact CB-CB 3.77Å; N147-M324 HydrophobicContact CB-CE 3.96Å; N147-D328 WeakPolarHBondContact CB-OD2 3.28Å; N147-D328 PolarHBondContact ND2-OD1 2.91Å
148	I	95.3	Very high	93	Very high	9 Å²	9	41 Å²	41	5%	0.046	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-38.7	179.4	-57	-57.2	0	0	0	111.1	W157 H160 R161 V164 D328 R465 L468	I148-W157 PolarHBondContact O-NE1 2.93Å; I148-H160 HydrophobicContact CD1-CB 4.1Å; I148-H160 VanDerWaalsContact CD1-CG 3.49Å; I148-H160 VanDerWaalsContact CD1-ND1 3.33Å; I148-H160 WeakPolarHBondContact CD1-ND1 3.44Å; I148-R161 HydrophobicContact CD1-CB 4.05Å; I148-R161 HydrophobicContact CG2-CG 4.33Å; I148-V164 HydrophobicContact CD1-CG2 4.09Å; I148-V164 HydrophobicContact CG1-CG2 4.21Å; I148-D328 VanDerWaalsContact CA-OD2 3.3Å; I148-D328 WeakPolarHBondContact CA-OD2 3.14Å; I148-D328 WeakPolarHBondContact CB-OD2 3.46Å; I148-D328 PolarHBondContact N-OD2 3.4Å; I148-R465 PolarHBondContact O-NH1 3.48Å; I148-L468 HydrophobicContact CG2-CD2 4.48Å
149	S	93.3	Very high	93.1	Very high	40 Å²	40	41.1 Å²	41.1	28%	0.28	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-45.2	-171.1	61.7	0	0	0	0	113.3	R132 N147 D328	R132-S149 PolarHBondContact NE-O 3.48Å; R132-S149 PolarHBondContact NH2-O 2.84Å; N147-S149 PolarHBondContact ND2-OG 2.97Å; S149-D328 PolarHBondContact N-OD2 3.49Å; S149-D328 PolarHBondContact OG-OD1 3.44Å; S149-D328 PolarHBondContact OG-OD2 2.92Å
150	L	94.3	Very high	93.1	Very high	36 Å²	36	37.7 Å²	37.7	19%	0.188	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-18.6	-174.2	-57	178.9	0	0	0	114	R132 V141 N147 W243 V400	R132-L150 VanDerWaalsContact CB-O 3.25Å; R132-L150 WeakPolarHBondContact CB-O 3.37Å; R132-L150 WeakPolarHBondContact CG-O 3.27Å; V141-L150 HydrophobicContact CG2-CD1 3.85Å; N147-L150 WeakPolarHBondContact OD1-CA 3.16Å; N147-L150 VanDerWaalsContact OD1-CB 3.31Å; N147-L150 WeakPolarHBondContact OD1-CB 3.33Å; N147-L150 PolarHBondContact OD1-N 3.27Å; L150-W243 HydrophobicContact CD1-CH2 4.18Å; L150-W243 HydrophobicContact CD1-CZ2 4.04Å; L150-W243 HydrophobicContact CD2-CH2 3.78Å; L150-W243 HydrophobicContact CD2-CZ2 4.15Å; L150-V400 HydrophobicContact CD2-CG1 4.11Å
151	G	94	Very high	93.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.01	20%	0.201	C	C	.	.	S	Bend	trans	-59.1	142.6	177.5	0	0	0	0	0	113.8	R132 G145 N147 R465	R132-G151 WeakPolarHBondContact CG-O 3.38Å; G145-G151 WeakPolarHBondContact O-CA 3.43Å; N147-G151 PolarHBondContact O-N 2.8Å; N147-G151 PolarHBondContact OD1-N 3.24Å; G151-R465 VanDerWaalsContact O-CZ 3.22Å; G151-R465 PolarHBondContact O-NH1 3.39Å; G151-R465 PolarHBondContact O-NH2 2.91Å
152	D	95.1	Very high	93.2	Very high	58 Å²	58	43.8 Å²	43.8	31%	0.31	22%	0.223	S	C	.	.			trans	-73.7	163.7	-177.5	-160.8	20.3	0	0	0	112.5	G131 R132 T154 W157 R403 R465	G131-D152 WeakPolarHBondContact CA-OD1 3.39Å; R132-D152 PolarHBondContact N-OD1 3Å; D152-T154 PolarHBondContact O-N 2.91Å; D152-W157 WeakPolarHBondContact O-CB 3.41Å; D152-W157 VanDerWaalsContact O-CG 3.25Å; D152-R403 VanDerWaalsContact CG-NH2 3.32Å; D152-R403 IonicContact OD1-NH2 3.38Å; D152-R403 PolarHBondContact OD1-NH2 2.84Å; D152-R403 IonicContact OD2-CZ 2.8Å; D152-R403 IonicContact OD2-NH2 3.13Å; D152-R403 PolarHBondContact OD2-NH2 3.01Å; D152-R465 VanDerWaalsContact C-NH2 3.29Å
153	Y	94.8	Very high	93.1	Very high	53 Å²	53	44.6 Å²	44.6	21%	0.208	23%	0.227	C	C	.	.	S	Bend	trans	-79.7	89.8	-175.5	-167.7	-96.6	0	0	0	111.7	W126 A130 W157 R158 A464 R465	W126-Y153 WeakPolarHBondContact CH2-OH 3.47Å; W126-Y153 AromaticContact CZ3-CE1 3.96Å; W126-Y153 HydrophobicContact CZ3-CE1 3.96Å; W126-Y153 HydrophobicContact CZ3-CE2 4.18Å; W126-Y153 AromaticContact CZ3-CZ 3.48Å; W126-Y153 VanDerWaalsContact CZ3-CZ 3.48Å; W126-Y153 WeakPolarHBondContact CZ3-OH 3.33Å; A130-Y153 HydrophobicContact CB-CD1 4.26Å; A130-Y153 HydrophobicContact CB-CD2 3.55Å; A130-Y153 HydrophobicContact CB-CE2 4Å; A130-Y153 HydrophobicContact CB-CG 3.69Å; Y153-W157 AromaticContact CD2-CE3 3.6Å; Y153-W157 HydrophobicContact CD2-CE3 3.6Å; Y153-W157 HydrophobicContact CD2-CH2 4.15Å; Y153-W157 AromaticContact CD2-CZ3 3.35Å; Y153-W157 HydrophobicContact CD2-CZ3 3.35Å; Y153-W157 AromaticContact CE2-CE3 3.94Å; Y153-W157 HydrophobicContact CE2-CE3 3.94Å; Y153-W157 HydrophobicContact CE2-CH2 4.31Å; Y153-W157 AromaticContact CE2-CZ3 3.4Å; Y153-W157 HydrophobicContact CE2-CZ3 3.4Å; Y153-W157 HydrophobicContact CG-CE3 4.48Å; Y153-R158 HydrophobicContact CE2-CG 4.04Å; Y153-R158 WeakPolarHBondContact OH-CD 3.47Å; Y153-A464 HydrophobicContact CE2-CB 3.93Å; Y153-R465 VanDerWaalsContact N-NH2 3.19Å
154	T	93	Very high	93.2	Very high	59 Å²	59	43.6 Å²	43.6	36%	0.362	22%	0.217	S	C	.	.	S	Bend	trans	-120.6	175.5	-180	62.7	0	0	0	0	112.1	D152 W157 R158	D152-T154 PolarHBondContact O-N 2.91Å; T154-W157 WeakPolarHBondContact OG1-CB 3.21Å; T154-W157 PolarHBondContact OG1-N 2.92Å; T154-R158 WeakPolarHBondContact O-CG 3.45Å; T154-R158 PolarHBondContact O-N 3.36Å; T154-R158 VanDerWaalsContact O-N 3.1Å; T154-R158 PolarHBondContact O-NE 3.4Å
155	E	91.5	Very high	93.3	Very high	108 Å²	108	45 Å²	45	51%	0.505	21%	0.211	S	C	.	.	H	α-helix	trans	-62.1	-46.6	170.1	-43.6	-132.8	101.7	0	0	110.4	W157 R158 A159 E315	E155-W157 PolarHBondContact O-N 3.46Å; E155-R158 VanDerWaalsContact CD-NH2 3.33Å; E155-R158 WeakPolarHBondContact O-CB 3.44Å; E155-R158 PolarHBondContact O-N 2.74Å; E155-R158 VanDerWaalsContact O-N 3.12Å; E155-R158 IonicContact OE1-CZ 2.63Å; E155-R158 IonicContact OE1-NH2 3.89Å; E155-R158 PolarHBondContact OE1-NH2 3.37Å; E155-A159 PolarHBondContact O-N 3.5Å; E155-E315 VanDerWaalsContact CB-OE1 3.31Å; E155-E315 WeakPolarHBondContact CB-OE1 2.99Å; E155-E315 WeakPolarHBondContact CB-OE2 3.43Å
156	E	91.2	Very high	93.2	Very high	79 Å²	79	46.7 Å²	46.7	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-52.3	-52.1	172.9	179.9	-175.2	-160.2	0	0	112.2	R158 A159 H160 H321	E156-R158 VanDerWaalsContact C-N 3.32Å; E156-R158 PolarHBondContact O-N 2.98Å; E156-A159 PolarHBondContact O-N 2.94Å; E156-H160 WeakPolarHBondContact O-CB 3.31Å; E156-H160 PolarHBondContact O-N 3.47Å; E156-H321 IonicContact OE1-CE1 3.03Å; E156-H321 PolarHBondContact OE1-CE1 2.92Å; E156-H321 IonicContact OE1-NE2 2.99Å; E156-H321 PolarHBondContact OE1-NE2 3.45Å
157	W	94.4	Very high	93.1	Very high	12 Å²	12	41.9 Å²	41.9	5%	0.045	20%	0.202	C	C	.	.	H	α-helix	trans	-63.4	-37.7	178.7	176.4	88.8	0	0	0	112.2	I148 D152 Y153 T154 E155 H160 R161 A464 R465	I148-W157 PolarHBondContact O-NE1 2.93Å; D152-W157 WeakPolarHBondContact O-CB 3.41Å; D152-W157 VanDerWaalsContact O-CG 3.25Å; Y153-W157 AromaticContact CD2-CE3 3.6Å; Y153-W157 HydrophobicContact CD2-CE3 3.6Å; Y153-W157 HydrophobicContact CD2-CH2 4.15Å; Y153-W157 AromaticContact CD2-CZ3 3.35Å; Y153-W157 HydrophobicContact CD2-CZ3 3.35Å; Y153-W157 AromaticContact CE2-CE3 3.94Å; Y153-W157 HydrophobicContact CE2-CE3 3.94Å; Y153-W157 HydrophobicContact CE2-CH2 4.31Å; Y153-W157 AromaticContact CE2-CZ3 3.4Å; Y153-W157 HydrophobicContact CE2-CZ3 3.4Å; Y153-W157 HydrophobicContact CG-CE3 4.48Å; T154-W157 WeakPolarHBondContact OG1-CB 3.21Å; T154-W157 PolarHBondContact OG1-N 2.92Å; E155-W157 PolarHBondContact O-N 3.46Å; W157-H160 PolarHBondContact O-N 3.16Å; W157-R161 HydrophobicContact CH2-CB 4.49Å; W157-R161 HydrophobicContact CH2-CG 4.43Å; W157-R161 HydrophobicContact CZ2-CB 4.38Å; W157-R161 HydrophobicContact CZ2-CG 4.44Å; W157-R161 VanDerWaalsContact O-CB 3.28Å; W157-R161 WeakPolarHBondContact O-CB 3.31Å; W157-R161 PolarHBondContact O-N 3.29Å; W157-A464 WeakPolarHBondContact CH2-O 3.39Å; W157-R465 VanDerWaalsContact CE2-CZ 3.46Å; W157-R465 VanDerWaalsContact CZ2-CD 3.47Å
158	R	94.3	Very high	92.9	Very high	76 Å²	76	41.7 Å²	41.7	29%	0.287	20%	0.201	S	C	.	.	H	α-helix	trans	-65.4	-43.2	175.9	-76.6	-178.4	-71.3	162.2	-0.7	111.2	Y153 T154 E155 E156 R162	Y153-R158 HydrophobicContact CE2-CG 4.04Å; Y153-R158 WeakPolarHBondContact OH-CD 3.47Å; T154-R158 WeakPolarHBondContact O-CG 3.45Å; T154-R158 PolarHBondContact O-N 3.36Å; T154-R158 VanDerWaalsContact O-N 3.1Å; T154-R158 PolarHBondContact O-NE 3.4Å; E155-R158 VanDerWaalsContact CD-NH2 3.33Å; E155-R158 WeakPolarHBondContact O-CB 3.44Å; E155-R158 PolarHBondContact O-N 2.74Å; E155-R158 VanDerWaalsContact O-N 3.12Å; E155-R158 IonicContact OE1-CZ 2.63Å; E155-R158 IonicContact OE1-NH2 3.89Å; E155-R158 PolarHBondContact OE1-NH2 3.37Å; E156-R158 VanDerWaalsContact C-N 3.32Å; E156-R158 PolarHBondContact O-N 2.98Å; R158-R162 WeakPolarHBondContact O-CB 3.18Å; R158-R162 VanDerWaalsContact O-CG 3.31Å; R158-R162 WeakPolarHBondContact O-CG 3.38Å; R158-R162 PolarHBondContact O-N 3.06Å
159	A	91.8	Very high	92.6	Very high	7 Å²	7	44 Å²	44	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-48.6	175.5	0	0	0	0	0	110.7	E155 E156 R161 R162 L163 L317	E155-A159 PolarHBondContact O-N 3.5Å; E156-A159 PolarHBondContact O-N 2.94Å; A159-R161 PolarHBondContact O-N 3.31Å; A159-R162 PolarHBondContact O-N 2.87Å; A159-L163 PolarHBondContact O-N 3.38Å; A159-L317 HydrophobicContact CB-CD1 4.45Å; A159-L317 HydrophobicContact CB-CD2 4.43Å
160	H	93.4	Very high	92.2	Very high	2 Å²	2	46 Å²	46	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-51.4	177.2	-173.1	-162.3	0	0	0	111.5	R146 I148 E156 W157 R162 L163 V164 L317 H321	R146-H160 PolarHBondContact O-CE1 3.08Å; R146-H160 PolarHBondContact O-ND1 3.37Å; R146-H160 VanDerWaalsContact O-ND1 3.16Å; I148-H160 HydrophobicContact CD1-CB 4.1Å; I148-H160 VanDerWaalsContact CD1-CG 3.49Å; I148-H160 VanDerWaalsContact CD1-ND1 3.33Å; I148-H160 WeakPolarHBondContact CD1-ND1 3.44Å; E156-H160 WeakPolarHBondContact O-CB 3.31Å; E156-H160 PolarHBondContact O-N 3.47Å; W157-H160 PolarHBondContact O-N 3.16Å; H160-R162 PolarHBondContact O-N 3.44Å; H160-L163 WeakPolarHBondContact O-CB 3.45Å; H160-L163 PolarHBondContact O-N 3.38Å; H160-V164 WeakPolarHBondContact O-CG2 3.25Å; H160-V164 PolarHBondContact O-N 3.18Å; H160-L317 HydrophobicContact CB-CD2 3.77Å; H160-H321 AromaticContact CE1-CD2 3.98Å; H160-H321 PolarHBondContact CE1-O 3.01Å; H160-H321 VanDerWaalsContact CE1-O 3.23Å; H160-H321 AromaticContact CG-CD2 3.75Å; H160-H321 AromaticContact ND1-CD2 3.5Å; H160-H321 PolarHBondContact ND1-CD2 2.84Å; H160-H321 PolarHBondContact NE2-O 2.98Å
161	R	95	Very high	91.5	Very high	40 Å²	40	44.5 Å²	44.5	15%	0.151	21%	0.205	C	C	.	.	H	α-helix	trans	-61.5	-41.3	179	-179.4	174	172.9	86.7	2.3	113	I148 W157 A159 L163 H165 A464 L466 L468	I148-R161 HydrophobicContact CD1-CB 4.05Å; I148-R161 HydrophobicContact CG2-CG 4.33Å; W157-R161 HydrophobicContact CH2-CB 4.49Å; W157-R161 HydrophobicContact CH2-CG 4.43Å; W157-R161 HydrophobicContact CZ2-CB 4.38Å; W157-R161 HydrophobicContact CZ2-CG 4.44Å; W157-R161 VanDerWaalsContact O-CB 3.28Å; W157-R161 WeakPolarHBondContact O-CB 3.31Å; W157-R161 PolarHBondContact O-N 3.29Å; A159-R161 PolarHBondContact O-N 3.31Å; R161-L163 VanDerWaalsContact C-N 3.32Å; R161-H165 WeakPolarHBondContact O-CB 3.49Å; R161-H165 PolarHBondContact O-N 3.28Å; R161-A464 PolarHBondContact NE-O 3.32Å; R161-L466 PolarHBondContact NH1-O 3.37Å; R161-L466 PolarHBondContact NH2-O 3.39Å; R161-L468 HydrophobicContact CG-CD1 4.44Å
162	R	93.1	Very high	90.9	Very high	144 Å²	144	44.9 Å²	44.9	54%	0.543	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-43.4	176	-78.8	-173.3	-60.6	-105.6	-0.4	111.1	R158 A159 H160 H165 S166	R158-R162 WeakPolarHBondContact O-CB 3.18Å; R158-R162 VanDerWaalsContact O-CG 3.31Å; R158-R162 WeakPolarHBondContact O-CG 3.38Å; R158-R162 PolarHBondContact O-N 3.06Å; A159-R162 PolarHBondContact O-N 2.87Å; H160-R162 PolarHBondContact O-N 3.44Å; R162-H165 PolarHBondContact O-N 3.31Å; R162-S166 WeakPolarHBondContact O-CB 3.11Å; R162-S166 PolarHBondContact O-N 2.96Å; R162-S166 PolarHBondContact O-OG 2.62Å
163	L	91	Very high	90.2	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.094	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-52	178.2	178.6	62	0	0	0	111.2	A159 H160 R161 H165 S166 A167 F300 L301 L317	A159-L163 PolarHBondContact O-N 3.38Å; H160-L163 WeakPolarHBondContact O-CB 3.45Å; H160-L163 PolarHBondContact O-N 3.38Å; R161-L163 VanDerWaalsContact C-N 3.32Å; L163-H165 PolarHBondContact O-N 3.22Å; L163-S166 PolarHBondContact O-N 3.33Å; L163-A167 PolarHBondContact O-N 3.25Å; L163-F300 HydrophobicContact CD1-CD1 4.22Å; L163-F300 HydrophobicContact CD1-CE1 3.94Å; L163-L301 HydrophobicContact CD2-CD2 4.12Å; L163-L301 HydrophobicContact CG-CD2 3.75Å; L163-L317 HydrophobicContact CB-CD1 4.41Å; L163-L317 HydrophobicContact CD2-CD1 3.74Å
164	V	93.1	Very high	89.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-40.9	179.5	-170	0	0	0	0	111.8	I148 H160 S166 A167 L168 L301 A325 L329 L468	I148-V164 HydrophobicContact CD1-CG2 4.09Å; I148-V164 HydrophobicContact CG1-CG2 4.21Å; H160-V164 WeakPolarHBondContact O-CG2 3.25Å; H160-V164 PolarHBondContact O-N 3.18Å; V164-S166 VanDerWaalsContact C-N 3.34Å; V164-S166 PolarHBondContact O-N 3.26Å; V164-A167 WeakPolarHBondContact O-CB 3.22Å; V164-A167 PolarHBondContact O-N 2.85Å; V164-L168 WeakPolarHBondContact O-CB 3.43Å; V164-L168 PolarHBondContact O-N 3.22Å; V164-L301 HydrophobicContact CB-CD2 4.32Å; V164-L301 HydrophobicContact CG2-CD2 3.88Å; V164-A325 HydrophobicContact CG1-CB 4.36Å; V164-A325 HydrophobicContact CG2-CB 3.58Å; V164-L329 HydrophobicContact CG1-CD1 4.22Å; V164-L329 HydrophobicContact CG1-CD2 4.38Å; V164-L329 HydrophobicContact CG1-CG 4.46Å; V164-L468 HydrophobicContact CB-CD2 4.21Å; V164-L468 HydrophobicContact CG1-CD2 3.62Å
165	H	93.1	Very high	88.8	Confident	75 Å²	75	52.7 Å²	52.7	35%	0.347	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-43.8	175.9	-179.6	-95.1	0	0	0	111.7	R161 R162 L163 A167 L168 Q169 L468	R161-H165 WeakPolarHBondContact O-CB 3.49Å; R161-H165 PolarHBondContact O-N 3.28Å; R162-H165 PolarHBondContact O-N 3.31Å; L163-H165 PolarHBondContact O-N 3.22Å; H165-A167 VanDerWaalsContact C-N 3.35Å; H165-L168 PolarHBondContact O-N 2.98Å; H165-Q169 VanDerWaalsContact CE1-CG 3.42Å; H165-Q169 WeakPolarHBondContact CE1-CG 3.16Å; H165-Q169 PolarHBondContact NE2-NE2 3.16Å; H165-Q169 WeakPolarHBondContact O-CB 3.15Å; H165-Q169 VanDerWaalsContact O-CG 3.31Å; H165-Q169 WeakPolarHBondContact O-CG 3.43Å; H165-Q169 PolarHBondContact O-N 3.3Å; H165-L468 HydrophobicContact CB-CD1 3.73Å
166	S	90.4	Very high	88.6	Confident	57 Å²	57	47.5 Å²	47.5	40%	0.399	21%	0.214	S	C	.	.	H	α-helix	trans	-65.5	-40.6	179.9	-56	0	0	0	0	111.4	R162 L163 V164 R170	R162-S166 WeakPolarHBondContact O-CB 3.11Å; R162-S166 PolarHBondContact O-N 2.96Å; R162-S166 PolarHBondContact O-OG 2.62Å; L163-S166 PolarHBondContact O-N 3.33Å; V164-S166 VanDerWaalsContact C-N 3.34Å; V164-S166 PolarHBondContact O-N 3.26Å; S166-R170 PolarHBondContact O-N 3.06Å; S166-R170 VanDerWaalsContact O-N 3.13Å
167	A	89.5	Confident	88.4	Confident	0 Å²	0	47 Å²	47	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-51.1	172.6	0	0	0	0	0	111	L163 V164 H165 Q169 R170 C171 I297 F300 L301	L163-A167 PolarHBondContact O-N 3.25Å; V164-A167 WeakPolarHBondContact O-CB 3.22Å; V164-A167 PolarHBondContact O-N 2.85Å; H165-A167 VanDerWaalsContact C-N 3.35Å; A167-Q169 PolarHBondContact O-N 3.44Å; A167-R170 PolarHBondContact O-N 3.18Å; A167-C171 PolarHBondContact O-N 2.87Å; A167-C171 VanDerWaalsContact O-N 3.14Å; A167-C171 PolarHBondContact O-SG 3.13Å; A167-I297 HydrophobicContact CB-CG2 3.83Å; A167-F300 HydrophobicContact CB-CB 4.02Å; A167-F300 HydrophobicContact CB-CD1 3.36Å; A167-F300 HydrophobicContact CB-CE1 4.06Å; A167-F300 HydrophobicContact CB-CG 3.91Å; A167-L301 HydrophobicContact CB-CD2 4.12Å; A167-L301 HydrophobicContact CB-CG 4.44Å
168	L	89.6	Confident	88.2	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-45.6	-178.6	-169.6	65.4	0	0	0	111.9	V164 H165 R170 C171 C172 I297 L329 L468 V472	V164-L168 WeakPolarHBondContact O-CB 3.43Å; V164-L168 PolarHBondContact O-N 3.22Å; H165-L168 PolarHBondContact O-N 2.98Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.31Å; L168-C171 PolarHBondContact O-N 3.04Å; L168-C172 WeakPolarHBondContact O-CB 3.47Å; L168-C172 PolarHBondContact O-N 2.87Å; L168-C172 PolarHBondContact O-SG 3.23Å; L168-I297 HydrophobicContact CD1-CD1 3.61Å; L168-L329 HydrophobicContact CD1-CD2 4.4Å; L168-L468 HydrophobicContact CD2-CG 4.18Å; L168-L468 WeakPolarHBondContact CD2-O 3.43Å; L168-V472 HydrophobicContact CD1-CG2 3.93Å; L168-V472 HydrophobicContact CD2-CG2 4.2Å; L168-V472 HydrophobicContact CG-CG2 4.09Å
169	Q	87.8	Confident	88.2	Confident	57 Å²	57	44.3 Å²	44.3	27%	0.266	21%	0.21	S	C	.	.	H	α-helix	trans	-61.3	-40.1	178.6	-72.7	-59.5	-33.6	0	0	112.4	H165 A167 C172 Q173 S471	H165-Q169 VanDerWaalsContact CE1-CG 3.42Å; H165-Q169 WeakPolarHBondContact CE1-CG 3.16Å; H165-Q169 PolarHBondContact NE2-NE2 3.16Å; H165-Q169 WeakPolarHBondContact O-CB 3.15Å; H165-Q169 VanDerWaalsContact O-CG 3.31Å; H165-Q169 WeakPolarHBondContact O-CG 3.43Å; H165-Q169 PolarHBondContact O-N 3.3Å; A167-Q169 PolarHBondContact O-N 3.44Å; Q169-C172 WeakPolarHBondContact O-CB 3.24Å; Q169-C172 PolarHBondContact O-N 3.02Å; Q169-Q173 WeakPolarHBondContact O-CG 3.41Å; Q169-Q173 PolarHBondContact O-N 3.39Å; Q169-Q173 VanDerWaalsContact O-N 3.12Å; Q169-S471 PolarHBondContact NE2-OG 3.45Å
170	R	85.1	Confident	88.3	Confident	83 Å²	83	44 Å²	44	31%	0.313	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-45.3	176.7	-175.6	179.3	176.1	101.6	-12.1	111.5	S166 A167 L168 Q173 R174	S166-R170 PolarHBondContact O-N 3.06Å; S166-R170 VanDerWaalsContact O-N 3.13Å; A167-R170 PolarHBondContact O-N 3.18Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.31Å; R170-Q173 PolarHBondContact O-N 3.34Å; R170-R174 PolarHBondContact O-N 3.39Å
171	C	81.3	Confident	88.3	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.027	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-39.9	176.4	-59.9	0	0	0	0	111.7	A167 L168 Q173 R174 S175 L176 L216 D295 I297	A167-C171 PolarHBondContact O-N 2.87Å; A167-C171 VanDerWaalsContact O-N 3.14Å; A167-C171 PolarHBondContact O-SG 3.13Å; L168-C171 PolarHBondContact O-N 3.04Å; C171-Q173 VanDerWaalsContact C-N 3.27Å; C171-Q173 PolarHBondContact O-N 3.03Å; C171-R174 PolarHBondContact O-N 3.38Å; C171-S175 PolarHBondContact O-N 3.26Å; C171-S175 PolarHBondContact O-OG 3.42Å; C171-L176 PolarHBondContact O-N 3.4Å; C171-L216 HydrophobicContact CB-CD2 4.14Å; C171-D295 PolarHBondContact SG-O 3.21Å; C171-I297 HydrophobicContact CB-CG1 4.24Å; C171-I297 VanDerWaalsContact SG-CG1 3.51Å
172	C	79.6	Confident	88.3	Confident	9 Å²	9	50.3 Å²	50.3	6%	0.061	23%	0.234	C	C	.	.	H	α-helix	trans	-55.4	-41.2	175.4	-70.4	0	0	0	0	112.8	L168 Q169 L176 V472	L168-C172 WeakPolarHBondContact O-CB 3.47Å; L168-C172 PolarHBondContact O-N 2.87Å; L168-C172 PolarHBondContact O-SG 3.23Å; Q169-C172 WeakPolarHBondContact O-CB 3.24Å; Q169-C172 PolarHBondContact O-N 3.02Å; C172-L176 HydrophobicContact CB-CD2 4.03Å; C172-L176 WeakPolarHBondContact O-CB 3.44Å; C172-V472 WeakPolarHBondContact SG-CG2 3.19Å
173	Q	80.7	Confident	88.4	Confident	156 Å²	156	43.6 Å²	43.6	73%	0.729	21%	0.208	S	C	*	.	H	α-helix	trans	-74.6	-33.2	-178	-71	172.9	2.7	0	0	113.1	Q169 R170 C171	Q169-Q173 WeakPolarHBondContact O-CG 3.41Å; Q169-Q173 PolarHBondContact O-N 3.39Å; Q169-Q173 VanDerWaalsContact O-N 3.12Å; R170-Q173 PolarHBondContact O-N 3.34Å; C171-Q173 VanDerWaalsContact C-N 3.27Å; C171-Q173 PolarHBondContact O-N 3.03Å
174	R	79.2	Confident	88.7	Confident	141 Å²	141	42.8 Å²	42.8	53%	0.532	21%	0.205	S	C	.	.	H	α-helix	trans	-93.9	-48.2	-171.6	-70.1	-175.7	173.8	-165.9	-7.3	114.1	R170 C171 D295	R170-R174 PolarHBondContact O-N 3.39Å; C171-R174 PolarHBondContact O-N 3.38Å; R174-D295 WeakPolarHBondContact CD-OD1 3.46Å; R174-D295 IonicContact CZ-OD1 2.72Å; R174-D295 IonicContact NE-OD1 3.42Å; R174-D295 IonicContact NH1-OD1 2.63Å; R174-D295 PolarHBondContact NH1-OD1 3.47Å
175	S	79.3	Confident	88.8	Confident	36 Å²	36	46.2 Å²	46.2	25%	0.252	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-24.9	-162.7	56.1	0	0	0	0	114.1	C171 H177 G178 V179	C171-S175 PolarHBondContact O-N 3.26Å; C171-S175 PolarHBondContact O-OG 3.42Å; S175-H177 PolarHBondContact O-N 2.81Å; S175-G178 PolarHBondContact O-N 3.18Å; S175-V179 VanDerWaalsContact O-CG2 3.3Å; S175-V179 WeakPolarHBondContact O-CG2 3.27Å; S175-V179 PolarHBondContact O-N 2.92Å
176	L	87.2	Confident	88.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-53.6	-48	-170	177.8	69.2	0	0	0	114.5	C171 C172 G178 V179 I180 V212 L216 V472 I475	C171-L176 PolarHBondContact O-N 3.4Å; C172-L176 HydrophobicContact CB-CD2 4.03Å; C172-L176 WeakPolarHBondContact O-CB 3.44Å; L176-G178 PolarHBondContact O-N 2.88Å; L176-V179 PolarHBondContact O-N 2.91Å; L176-I180 HydrophobicContact CD1-CD1 3.6Å; L176-I180 HydrophobicContact CD1-CG1 4.03Å; L176-I180 HydrophobicContact CD2-CD1 4.41Å; L176-I180 HydrophobicContact CG-CD1 3.68Å; L176-I180 HydrophobicContact CG-CG1 4.42Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-I180 PolarHBondContact O-N 3.48Å; L176-V212 HydrophobicContact CD1-CG1 4.08Å; L176-L216 HydrophobicContact CB-CD2 4.37Å; L176-L216 HydrophobicContact CD1-CD1 3.53Å; L176-L216 HydrophobicContact CD1-CD2 4.27Å; L176-L216 HydrophobicContact CD1-CG 4.45Å; L176-V472 HydrophobicContact CD1-CG1 4.03Å; L176-V472 HydrophobicContact CD2-CG2 4.22Å; L176-I475 HydrophobicContact CD2-CB 4.31Å; L176-I475 HydrophobicContact CD2-CD1 3.54Å; L176-I475 HydrophobicContact CD2-CG1 4.49Å; L176-I475 HydrophobicContact CD2-CG2 4.46Å
177	H	88.5	Confident	89.2	Confident	69 Å²	69	43.6 Å²	43.6	32%	0.319	20%	0.204	S	C	.	.	H	α-helix	trans	-58.8	-51.6	-179	-71	78.3	0	0	0	111.1	S175 V179 I180 E181 Y373	S175-H177 PolarHBondContact O-N 2.81Å; H177-V179 VanDerWaalsContact C-N 3.3Å; H177-V179 PolarHBondContact O-N 2.92Å; H177-I180 PolarHBondContact O-N 2.89Å; H177-E181 WeakPolarHBondContact O-CB 3.33Å; H177-E181 VanDerWaalsContact O-CG 3.27Å; H177-E181 WeakPolarHBondContact O-CG 3.44Å; H177-E181 PolarHBondContact O-N 2.97Å; H177-Y373 WeakPolarHBondContact NE2-CB 3.2Å
178	G	90.1	Very high	89.5	Confident	28 Å²	28	47.9 Å²	47.9	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-65.1	-32.2	179.3	0	0	0	0	0	113.3	S175 L176 R182	S175-G178 PolarHBondContact O-N 3.18Å; L176-G178 PolarHBondContact O-N 2.88Å; G178-R182 WeakPolarHBondContact O-CB 3.28Å; G178-R182 VanDerWaalsContact O-CG 3.3Å; G178-R182 WeakPolarHBondContact O-CG 3.36Å; G178-R182 PolarHBondContact O-N 3.3Å; G178-R182 VanDerWaalsContact O-N 3.1Å; G178-R182 PolarHBondContact O-NH1 2.92Å
179	V	92.6	Very high	89.9	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-50.3	174.1	174.1	0	0	0	0	110.4	S175 L176 H177 E181 R182 Q183 V212 T215	S175-V179 VanDerWaalsContact O-CG2 3.3Å; S175-V179 WeakPolarHBondContact O-CG2 3.27Å; S175-V179 PolarHBondContact O-N 2.92Å; L176-V179 PolarHBondContact O-N 2.91Å; H177-V179 VanDerWaalsContact C-N 3.3Å; H177-V179 PolarHBondContact O-N 2.92Å; V179-E181 PolarHBondContact O-N 3.43Å; V179-R182 PolarHBondContact O-N 3.35Å; V179-Q183 WeakPolarHBondContact O-CG 3.37Å; V179-Q183 PolarHBondContact O-N 3.13Å; V179-V212 HydrophobicContact CG1-CB 4.34Å; V179-V212 HydrophobicContact CG1-CG1 4.08Å; V179-V212 HydrophobicContact CG1-CG2 4.38Å; V179-T215 HydrophobicContact CG1-CG2 3.97Å; V179-T215 HydrophobicContact CG2-CG2 3.67Å
180	I	94.3	Very high	90.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-43.4	-179.6	-62.7	165.2	0	0	0	110.8	L176 H177 R182 Q183 A184 V212 I475 E476 L479 F480	L176-I180 HydrophobicContact CD1-CD1 3.6Å; L176-I180 HydrophobicContact CD1-CG1 4.03Å; L176-I180 HydrophobicContact CD2-CD1 4.41Å; L176-I180 HydrophobicContact CG-CD1 3.68Å; L176-I180 HydrophobicContact CG-CG1 4.42Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-I180 PolarHBondContact O-N 3.48Å; H177-I180 PolarHBondContact O-N 2.89Å; I180-R182 VanDerWaalsContact C-N 3.34Å; I180-R182 PolarHBondContact O-N 3.03Å; I180-Q183 PolarHBondContact O-N 2.75Å; I180-A184 WeakPolarHBondContact O-CB 3.45Å; I180-A184 PolarHBondContact O-N 3.35Å; I180-V212 HydrophobicContact CG1-CG1 3.89Å; I180-V212 HydrophobicContact CG1-CG2 4.08Å; I180-I475 HydrophobicContact CD1-CB 4.12Å; I180-I475 HydrophobicContact CD1-CG2 3.53Å; I180-E476 HydrophobicContact CD1-CB 4.34Å; I180-E476 HydrophobicContact CD1-CG 3.55Å; I180-E476 HydrophobicContact CG1-CG 3.88Å; I180-L479 HydrophobicContact CB-CD1 4.03Å; I180-L479 HydrophobicContact CD1-CD1 4.37Å; I180-L479 HydrophobicContact CG2-CB 3.64Å; I180-L479 HydrophobicContact CG2-CD1 3.76Å; I180-L479 HydrophobicContact CG2-CG 4.34Å; I180-F480 HydrophobicContact CG2-CD2 4.37Å; I180-F480 HydrophobicContact CG2-CE2 4.2Å; I180-F480 HydrophobicContact CG2-CZ 4.44Å
181	E	93.9	Very high	90.8	Very high	54 Å²	54	48.6 Å²	48.6	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-58.8	-44.6	177.2	-71.9	175.2	-175.4	0	0	111.4	H177 V179 A184 L185	H177-E181 WeakPolarHBondContact O-CB 3.33Å; H177-E181 VanDerWaalsContact O-CG 3.27Å; H177-E181 WeakPolarHBondContact O-CG 3.44Å; H177-E181 PolarHBondContact O-N 2.97Å; V179-E181 PolarHBondContact O-N 3.43Å; E181-A184 PolarHBondContact O-N 2.97Å; E181-L185 VanDerWaalsContact O-CG 3.31Å; E181-L185 WeakPolarHBondContact O-CG 3.47Å; E181-L185 PolarHBondContact O-N 2.95Å
182	R	94.7	Very high	91.6	Very high	120 Å²	120	52 Å²	52	45%	0.453	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-45.2	174.9	-75.5	-166.4	-48.3	-86.3	6.2	112.1	G178 V179 I180 L185 H186 E221	G178-R182 WeakPolarHBondContact O-CB 3.28Å; G178-R182 VanDerWaalsContact O-CG 3.3Å; G178-R182 WeakPolarHBondContact O-CG 3.36Å; G178-R182 PolarHBondContact O-N 3.3Å; G178-R182 VanDerWaalsContact O-N 3.1Å; G178-R182 PolarHBondContact O-NH1 2.92Å; V179-R182 PolarHBondContact O-N 3.35Å; I180-R182 VanDerWaalsContact C-N 3.34Å; I180-R182 PolarHBondContact O-N 3.03Å; R182-L185 PolarHBondContact O-N 3.35Å; R182-H186 WeakPolarHBondContact O-CB 3.28Å; R182-H186 PolarHBondContact O-N 3.39Å; R182-E221 IonicContact CZ-OE1 3.46Å; R182-E221 IonicContact NE-OE1 3.92Å; R182-E221 PolarHBondContact NE-OE1 2.7Å; R182-E221 IonicContact NH2-OE1 3.74Å; R182-E221 PolarHBondContact NH2-OE1 3.36Å
183	Q	95.8	Very high	92.4	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.014	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-34.3	179.7	-65.2	-50.7	-47.1	0	0	112.3	V179 I180 H186 L187 N211 V212 E221 F480	V179-Q183 WeakPolarHBondContact O-CG 3.37Å; V179-Q183 PolarHBondContact O-N 3.13Å; I180-Q183 PolarHBondContact O-N 2.75Å; Q183-H186 PolarHBondContact O-N 3.42Å; Q183-L187 WeakPolarHBondContact O-CB 3.23Å; Q183-L187 PolarHBondContact O-N 2.86Å; Q183-N211 VanDerWaalsContact CD-CB 3.41Å; Q183-N211 HydrophobicContact CG-CB 3.96Å; Q183-N211 PolarHBondContact OE1-ND2 2.95Å; Q183-V212 HydrophobicContact CB-CG2 4.13Å; Q183-V212 HydrophobicContact CG-CG2 3.97Å; Q183-E221 PolarHBondContact NE2-OE2 2.99Å; Q183-E221 VanDerWaalsContact NE2-OE2 3.15Å; Q183-F480 HydrophobicContact CB-CE1 4.2Å; Q183-F480 HydrophobicContact CB-CZ 3.99Å
184	A	96.3	Very high	93.1	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-41.5	174	0	0	0	0	0	111.8	I180 E181 L187 R188 F480 Y483	I180-A184 WeakPolarHBondContact O-CB 3.45Å; I180-A184 PolarHBondContact O-N 3.35Å; E181-A184 PolarHBondContact O-N 2.97Å; A184-L187 PolarHBondContact O-N 3.18Å; A184-R188 WeakPolarHBondContact O-CB 3.46Å; A184-R188 PolarHBondContact O-N 3.23Å; A184-F480 HydrophobicContact CB-CD1 3.97Å; A184-F480 HydrophobicContact CB-CE1 4.09Å; A184-Y483 HydrophobicContact CB-CD1 3.6Å; A184-Y483 HydrophobicContact CB-CD2 4.24Å; A184-Y483 HydrophobicContact CB-CE1 4.1Å; A184-Y483 HydrophobicContact CB-CG 3.68Å
185	L	95.9	Very high	93.8	Very high	72 Å²	72	53.1 Å²	53.1	38%	0.377	26%	0.255	S	S	.	.	H	α-helix	trans	-67.3	-36.2	173.9	-70.6	171.5	0	0	0	112.5	E181 R182 R188 K189 Y370 Y483	E181-L185 VanDerWaalsContact O-CG 3.31Å; E181-L185 WeakPolarHBondContact O-CG 3.47Å; E181-L185 PolarHBondContact O-N 2.95Å; R182-L185 PolarHBondContact O-N 3.35Å; L185-R188 WeakPolarHBondContact O-CB 3.43Å; L185-R188 PolarHBondContact O-N 3.39Å; L185-K189 PolarHBondContact O-N 2.89Å; L185-K189 VanDerWaalsContact O-N 3.08Å; L185-Y370 HydrophobicContact CD2-CE1 3.91Å; L185-Y370 HydrophobicContact CD2-CE2 4.22Å; L185-Y483 HydrophobicContact CD2-CD1 4.32Å; L185-Y483 HydrophobicContact CD2-CE1 3.86Å; L185-Y483 HydrophobicContact CG-CE1 3.93Å
186	H	95.8	Very high	94.5	Very high	72 Å²	72	56.8 Å²	56.8	33%	0.333	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-48.1	173.5	-178.9	76.1	0	0	0	111.1	R182 Q183 R188 K189 V190	R182-H186 WeakPolarHBondContact O-CB 3.28Å; R182-H186 PolarHBondContact O-N 3.39Å; Q183-H186 PolarHBondContact O-N 3.42Å; H186-R188 VanDerWaalsContact C-N 3.3Å; H186-R188 PolarHBondContact O-N 3.21Å; H186-K189 WeakPolarHBondContact O-CA 3.33Å; H186-K189 WeakPolarHBondContact O-CB 3.36Å; H186-K189 PolarHBondContact O-N 3.29Å; H186-V190 PolarHBondContact O-N 3.27Å
187	L	96.4	Very high	94.9	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-58.6	-42	175.8	-179.8	59.5	0	0	0	111.5	Q183 A184 K189 V190 L191 D204 F205 A208 F480 L484	Q183-L187 WeakPolarHBondContact O-CB 3.23Å; Q183-L187 PolarHBondContact O-N 2.86Å; A184-L187 PolarHBondContact O-N 3.18Å; L187-K189 VanDerWaalsContact C-N 3.31Å; L187-K189 PolarHBondContact O-N 2.79Å; L187-V190 WeakPolarHBondContact O-CB 3.42Å; L187-V190 PolarHBondContact O-N 3.4Å; L187-L191 HydrophobicContact CD1-CG 4.48Å; L187-L191 WeakPolarHBondContact O-CG 3.31Å; L187-L191 PolarHBondContact O-N 2.87Å; L187-D204 HydrophobicContact CD1-CB 3.91Å; L187-F205 HydrophobicContact CD2-CD1 3.97Å; L187-F205 HydrophobicContact CD2-CE1 4.04Å; L187-A208 HydrophobicContact CD2-CB 4.18Å; L187-F480 HydrophobicContact CD2-CD1 4.25Å; L187-F480 HydrophobicContact CD2-CE1 4.43Å; L187-L484 HydrophobicContact CD2-CD1 4.33Å; L187-L484 HydrophobicContact CD2-CD2 3.93Å; L187-L484 HydrophobicContact CD2-CG 4.49Å; L187-L484 HydrophobicContact CG-CD2 4.23Å
188	R	96.5	Very high	95.3	Very high	89 Å²	89	58.4 Å²	58.4	34%	0.336	29%	0.29	S	S	.	.	H	α-helix	trans	-54.4	-46.2	171.6	175.8	-161.4	-177.8	-88.6	-6.8	111.7	A184 L185 H186 L191 M192 Y370 D487 F488	A184-R188 WeakPolarHBondContact O-CB 3.46Å; A184-R188 PolarHBondContact O-N 3.23Å; L185-R188 WeakPolarHBondContact O-CB 3.43Å; L185-R188 PolarHBondContact O-N 3.39Å; H186-R188 VanDerWaalsContact C-N 3.3Å; H186-R188 PolarHBondContact O-N 3.21Å; R188-L191 PolarHBondContact O-N 3.42Å; R188-M192 WeakPolarHBondContact O-CG 3.38Å; R188-M192 PolarHBondContact O-N 3.37Å; R188-Y370 PolarHBondContact NE-OH 2.99Å; R188-D487 WeakPolarHBondContact CD-OD2 3.48Å; R188-D487 IonicContact CZ-OD2 3.89Å; R188-D487 IonicContact NE-OD2 2.71Å; R188-D487 PolarHBondContact NE-OD2 3.44Å; R188-F488 HydrophobicContact CB-CE2 4.21Å; R188-F488 HydrophobicContact CG-CE2 3.83Å; R188-F488 HydrophobicContact CG-CZ 4.01Å
189	K	96.4	Very high	95.5	Very high	126 Å²	126	58.2 Å²	58.2	55%	0.548	28%	0.283	S	S	.	.	H	α-helix	trans	-60.1	-46.3	177.3	-176.8	-177.5	173.7	-175.1	0	111.2	L185 H186 L187 L191 M192 D193	L185-K189 PolarHBondContact O-N 2.89Å; L185-K189 VanDerWaalsContact O-N 3.08Å; H186-K189 WeakPolarHBondContact O-CA 3.33Å; H186-K189 WeakPolarHBondContact O-CB 3.36Å; H186-K189 PolarHBondContact O-N 3.29Å; L187-K189 VanDerWaalsContact C-N 3.31Å; L187-K189 PolarHBondContact O-N 2.79Å; K189-L191 VanDerWaalsContact C-N 3.31Å; K189-L191 PolarHBondContact O-N 3.3Å; K189-M192 WeakPolarHBondContact O-CB 3.44Å; K189-M192 PolarHBondContact O-N 3.31Å; K189-D193 VanDerWaalsContact O-CG 3.25Å; K189-D193 PolarHBondContact O-N 2.99Å
190	V	95.9	Very high	95.7	Very high	29 Å²	29	61 Å²	61	18%	0.176	30%	0.298	C	S	.	.	H	α-helix	trans	-57.2	-44.3	176.6	174.8	0	0	0	0	111.3	H186 L187 D193 Y194	H186-V190 PolarHBondContact O-N 3.27Å; L187-V190 WeakPolarHBondContact O-CB 3.42Å; L187-V190 PolarHBondContact O-N 3.4Å; V190-D193 PolarHBondContact O-N 2.98Å; V190-Y194 HydrophobicContact CG1-CE2 3.82Å; V190-Y194 PolarHBondContact O-N 3.25Å
191	L	97.1	Very high	95.8	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-37	178.1	-64.9	-175.1	0	0	0	113	L187 R188 K189 D193 Y194 L201 L484 F488 F490 A519	L187-L191 HydrophobicContact CD1-CG 4.48Å; L187-L191 WeakPolarHBondContact O-CG 3.31Å; L187-L191 PolarHBondContact O-N 2.87Å; R188-L191 PolarHBondContact O-N 3.42Å; K189-L191 VanDerWaalsContact C-N 3.31Å; K189-L191 PolarHBondContact O-N 3.3Å; L191-D193 VanDerWaalsContact C-N 3.32Å; L191-Y194 HydrophobicContact CD2-CD2 4.14Å; L191-Y194 HydrophobicContact CD2-CE2 4.33Å; L191-Y194 PolarHBondContact O-N 2.87Å; L191-L201 HydrophobicContact CD2-CD1 4.05Å; L191-L201 HydrophobicContact CD2-CD2 3.39Å; L191-L201 HydrophobicContact CD2-CG 4.38Å; L191-L484 HydrophobicContact CD1-CD2 3.52Å; L191-F488 HydrophobicContact CB-CE1 3.87Å; L191-F488 HydrophobicContact CB-CE2 3.98Å; L191-F488 HydrophobicContact CB-CZ 3.55Å; L191-F488 HydrophobicContact CD1-CD2 3.97Å; L191-F488 HydrophobicContact CD1-CE2 3.88Å; L191-F488 HydrophobicContact CD1-CG 4.47Å; L191-F488 HydrophobicContact CD1-CZ 4.3Å; L191-F490 HydrophobicContact CD1-CE1 4.47Å; L191-A519 HydrophobicContact CB-CB 4.4Å; L191-A519 HydrophobicContact CD1-CB 4.32Å; L191-A519 HydrophobicContact CD2-CB 4.47Å
192	M	97	Very high	95.8	Very high	77 Å²	77	60.9 Å²	60.9	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-64	-38.7	172.6	-68.7	-63.9	-63.2	0	0	111.8	R188 K189 Y194 Q195 F488 P521	R188-M192 WeakPolarHBondContact O-CG 3.38Å; R188-M192 PolarHBondContact O-N 3.37Å; K189-M192 WeakPolarHBondContact O-CB 3.44Å; K189-M192 PolarHBondContact O-N 3.31Å; M192-Y194 PolarHBondContact O-N 3.03Å; M192-Q195 PolarHBondContact O-N 3.39Å; M192-F488 HydrophobicContact CG-CE1 4.32Å; M192-F488 HydrophobicContact CG-CZ 4Å; M192-F488 HydrophobicContact SD-CE1 3.76Å; M192-F488 HydrophobicContact SD-CZ 3.94Å; M192-P521 HydrophobicContact CE-CB 4.49Å; M192-P521 HydrophobicContact CE-CG 4.11Å; M192-P521 HydrophobicContact SD-CB 4.04Å; M192-P521 HydrophobicContact SD-CG 3.68Å
193	D	96.5	Very high	95.6	Very high	104 Å²	104	59.4 Å²	59.4	56%	0.556	30%	0.301	S	S	*	.	H	α-helix	trans	-66.8	-20.4	-179.5	-68	-19.4	0	0	0	112.3	K189 V190 L191 Q195	K189-D193 VanDerWaalsContact O-CG 3.25Å; K189-D193 PolarHBondContact O-N 2.99Å; V190-D193 PolarHBondContact O-N 2.98Å; L191-D193 VanDerWaalsContact C-N 3.32Å; D193-Q195 PolarHBondContact O-N 3.4Å
194	Y	96	Very high	95.6	Very high	57 Å²	57	59.5 Å²	59.5	22%	0.224	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-12.2	171.4	-68.4	-42.2	0	0	0	114.2	V190 L191 M192 E196 S197 V199 L201 D204 K224	V190-Y194 HydrophobicContact CG1-CE2 3.82Å; V190-Y194 PolarHBondContact O-N 3.25Å; L191-Y194 HydrophobicContact CD2-CD2 4.14Å; L191-Y194 HydrophobicContact CD2-CE2 4.33Å; L191-Y194 PolarHBondContact O-N 2.87Å; M192-Y194 PolarHBondContact O-N 3.03Å; Y194-E196 VanDerWaalsContact C-N 3.26Å; Y194-E196 PolarHBondContact O-N 2.96Å; Y194-S197 WeakPolarHBondContact O-CB 3.44Å; Y194-S197 PolarHBondContact O-N 2.92Å; Y194-S197 PolarHBondContact O-OG 3.41Å; Y194-V199 HydrophobicContact CD1-CG1 3.85Å; Y194-V199 HydrophobicContact CD2-CB 4.42Å; Y194-V199 HydrophobicContact CD2-CG1 4.2Å; Y194-V199 HydrophobicContact CD2-CG2 3.71Å; Y194-V199 HydrophobicContact CE1-CG1 4.12Å; Y194-V199 HydrophobicContact CE2-CB 4.43Å; Y194-V199 HydrophobicContact CE2-CG1 4.43Å; Y194-V199 HydrophobicContact CE2-CG2 3.94Å; Y194-V199 HydrophobicContact CG-CG1 3.92Å; Y194-V199 HydrophobicContact CG-CG2 4.2Å; Y194-L201 HydrophobicContact CD2-CD2 4.46Å; Y194-L201 HydrophobicContact CE2-CD2 4.1Å; Y194-D204 PolarHBondContact OH-OD1 3.14Å; Y194-D204 PolarHBondContact OH-OD2 2.72Å; Y194-K224 PolarHBondContact OH-NZ 2.89Å
195	Q	94.5	Very high	95.6	Very high	167 Å²	167	59.4 Å²	59.4	78%	0.78	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	47.7	174.6	-59.6	-179.7	-5	0	0	112.7	M192 D193 S197	M192-Q195 PolarHBondContact O-N 3.39Å; D193-Q195 PolarHBondContact O-N 3.4Å; Q195-S197 PolarHBondContact O-N 3.04Å
196	E	94	Very high	95.5	Very high	113 Å²	113	56.8 Å²	56.8	53%	0.528	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	24.8	-179.2	-55.3	179.9	-123.1	0	0	114.3	Y194 V518 C520	Y194-E196 VanDerWaalsContact C-N 3.26Å; Y194-E196 PolarHBondContact O-N 2.96Å; E196-V518 HydrophobicContact CB-CG1 3.89Å; E196-V518 WeakPolarHBondContact O-CG1 3.34Å; E196-C520 PolarHBondContact OE2-SG 3.49Å; E196-C520 VanDerWaalsContact OE2-SG 3.37Å
197	S	94.9	Very high	95.3	Very high	63 Å²	63	53.8 Å²	53.8	44%	0.441	28%	0.275	S	S	.	.			trans	-74.6	149	172.1	-61	0	0	0	0	112	Y194 Q195 V199	Y194-S197 WeakPolarHBondContact O-CB 3.44Å; Y194-S197 PolarHBondContact O-N 2.92Å; Y194-S197 PolarHBondContact O-OG 3.41Å; Q195-S197 PolarHBondContact O-N 3.04Å; S197-V199 PolarHBondContact O-N 3.02Å
198	A	95.9	Very high	95.3	Very high	40 Å²	40	53.8 Å²	53.8	33%	0.331	28%	0.275	S	S	.	.			trans	-74.8	112	174	0	0	0	0	0	111.4	P493 K516 V518	A198-P493 HydrophobicContact CB-CB 3.68Å; A198-P493 HydrophobicContact CB-CG 3.6Å; A198-K516 HydrophobicContact CB-CB 4.42Å; A198-K516 HydrophobicContact CB-CD 4.37Å; A198-V518 HydrophobicContact CB-CG2 4.13Å
199	V	95.6	Very high	95.2	Very high	25 Å²	25	49.5 Å²	49.5	15%	0.152	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-133.6	156	-173.7	-64.7	0	0	0	0	112.3	Y194 S197 L201 K516 V517	Y194-V199 HydrophobicContact CD1-CG1 3.85Å; Y194-V199 HydrophobicContact CD2-CB 4.42Å; Y194-V199 HydrophobicContact CD2-CG1 4.2Å; Y194-V199 HydrophobicContact CD2-CG2 3.71Å; Y194-V199 HydrophobicContact CE1-CG1 4.12Å; Y194-V199 HydrophobicContact CE2-CB 4.43Å; Y194-V199 HydrophobicContact CE2-CG1 4.43Å; Y194-V199 HydrophobicContact CE2-CG2 3.94Å; Y194-V199 HydrophobicContact CG-CG1 3.92Å; Y194-V199 HydrophobicContact CG-CG2 4.2Å; S197-V199 PolarHBondContact O-N 3.02Å; V199-L201 HydrophobicContact CG2-CD2 3.52Å; V199-L201 HydrophobicContact CG2-CG 4.25Å; V199-K516 CarbonylContact O-C 3.59Å; V199-K516 VanDerWaalsContact O-CA 3.29Å; V199-K516 WeakPolarHBondContact O-CA 3.42Å; V199-V517 PolarHBondContact N-O 3.47Å; V199-V517 PolarHBondContact O-N 3.29Å
200	D	95.9	Very high	95	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	23%	0.233	S	C	.	.			trans	-91.5	115	167.2	-178.4	-16.4	0	0	0	108.8	S202 A514	D200-S202 VanDerWaalsContact C-N 3.29Å; D200-S202 PolarHBondContact O-N 3.14Å; D200-S202 WeakPolarHBondContact OD1-CB 3.27Å; D200-S202 PolarHBondContact OD1-N 3.18Å; D200-A514 WeakPolarHBondContact OD2-CB 3.34Å
201	L	96.2	Very high	94.9	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.9	-176.4	-61.3	-177.9	0	0	0	113.8	L191 Y194 V199 E203 D204 F205 F490 V517	L191-L201 HydrophobicContact CD2-CD1 4.05Å; L191-L201 HydrophobicContact CD2-CD2 3.39Å; L191-L201 HydrophobicContact CD2-CG 4.38Å; Y194-L201 HydrophobicContact CD2-CD2 4.46Å; Y194-L201 HydrophobicContact CE2-CD2 4.1Å; V199-L201 HydrophobicContact CG2-CD2 3.52Å; V199-L201 HydrophobicContact CG2-CG 4.25Å; L201-E203 VanDerWaalsContact C-N 3.28Å; L201-E203 PolarHBondContact O-N 3.42Å; L201-D204 PolarHBondContact O-N 2.72Å; L201-F205 HydrophobicContact CB-CD2 4.11Å; L201-F205 HydrophobicContact CB-CE1 4.36Å; L201-F205 HydrophobicContact CB-CE2 3.67Å; L201-F205 HydrophobicContact CB-CZ 3.8Å; L201-F205 HydrophobicContact CD1-CE1 4.42Å; L201-F205 HydrophobicContact CD1-CE2 4.32Å; L201-F205 HydrophobicContact CD1-CZ 3.77Å; L201-F205 HydrophobicContact CG-CZ 4.45Å; L201-F205 WeakPolarHBondContact O-CD2 3.45Å; L201-F205 WeakPolarHBondContact O-CG 3.3Å; L201-F205 PolarHBondContact O-N 3.36Å; L201-F490 HydrophobicContact CD1-CD1 4.44Å; L201-F490 HydrophobicContact CD1-CE1 3.87Å; L201-V517 HydrophobicContact CD1-CG1 3.51Å; L201-V517 HydrophobicContact CG-CG1 3.69Å
202	S	93.6	Very high	94.7	Very high	49 Å²	49	42.2 Å²	42.2	34%	0.343	23%	0.225	S	C	.	.	H	α-helix	trans	-59.4	-38.5	-175	-170.5	0	0	0	0	112.8	D200 T206 N342	D200-S202 VanDerWaalsContact C-N 3.29Å; D200-S202 PolarHBondContact O-N 3.14Å; D200-S202 WeakPolarHBondContact OD1-CB 3.27Å; D200-S202 PolarHBondContact OD1-N 3.18Å; S202-T206 WeakPolarHBondContact O-CB 3.46Å; S202-T206 PolarHBondContact O-N 3.17Å; S202-T206 VanDerWaalsContact O-N 3.17Å; S202-T206 PolarHBondContact O-OG1 3.24Å; S202-N342 VanDerWaalsContact CB-ND2 3.31Å; S202-N342 WeakPolarHBondContact CB-ND2 3.32Å; S202-N342 PolarHBondContact OG-ND2 2.98Å
203	E	92.1	Very high	94.4	Very high	89 Å²	89	38.8 Å²	38.8	42%	0.416	21%	0.208	S	C	.	.	H	α-helix	trans	-74.6	-38.7	178.5	-166.7	-179.1	179.9	0	0	110.9	L201 F205 T206 V207 K224	L201-E203 VanDerWaalsContact C-N 3.28Å; L201-E203 PolarHBondContact O-N 3.42Å; E203-F205 PolarHBondContact O-N 3.46Å; E203-T206 WeakPolarHBondContact O-CB 3.18Å; E203-T206 PolarHBondContact O-N 3.47Å; E203-T206 VanDerWaalsContact O-N 3.14Å; E203-V207 WeakPolarHBondContact O-CG2 3.42Å; E203-V207 PolarHBondContact O-N 3.19Å; E203-K224 WeakPolarHBondContact OE2-CE 3.49Å; E203-K224 IonicContact OE2-NZ 2.68Å
204	D	94.8	Very high	94.1	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.032	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-41.4	179.2	-56.6	-60.1	0	0	0	111.7	L187 Y194 L201 V207 A208 K224	L187-D204 HydrophobicContact CD1-CB 3.91Å; Y194-D204 PolarHBondContact OH-OD1 3.14Å; Y194-D204 PolarHBondContact OH-OD2 2.72Å; L201-D204 PolarHBondContact O-N 2.72Å; D204-V207 PolarHBondContact O-N 2.76Å; D204-A208 WeakPolarHBondContact O-CB 3.38Å; D204-A208 PolarHBondContact O-N 3.17Å; D204-K224 IonicContact OD1-NZ 2.78Å; D204-K224 PolarHBondContact OD1-NZ 3.28Å; D204-K224 IonicContact OD2-NZ 3.8Å; D204-K224 PolarHBondContact OD2-NZ 2.85Å
205	F	96.4	Very high	93.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-37	172.7	-63.2	-30.7	0	0	0	112.5	L187 L201 E203 A209 A338 L341 N342 V345 L484	L187-F205 HydrophobicContact CD2-CD1 3.97Å; L187-F205 HydrophobicContact CD2-CE1 4.04Å; L201-F205 HydrophobicContact CB-CD2 4.11Å; L201-F205 HydrophobicContact CB-CE1 4.36Å; L201-F205 HydrophobicContact CB-CE2 3.67Å; L201-F205 HydrophobicContact CB-CZ 3.8Å; L201-F205 HydrophobicContact CD1-CE1 4.42Å; L201-F205 HydrophobicContact CD1-CE2 4.32Å; L201-F205 HydrophobicContact CD1-CZ 3.77Å; L201-F205 HydrophobicContact CG-CZ 4.45Å; L201-F205 WeakPolarHBondContact O-CD2 3.45Å; L201-F205 WeakPolarHBondContact O-CG 3.3Å; L201-F205 PolarHBondContact O-N 3.36Å; E203-F205 PolarHBondContact O-N 3.46Å; F205-A209 VanDerWaalsContact O-CB 3.3Å; F205-A209 WeakPolarHBondContact O-CB 3.36Å; F205-A209 PolarHBondContact O-N 2.95Å; F205-A338 HydrophobicContact CB-CB 4.15Å; F205-L341 HydrophobicContact CB-CB 4.36Å; F205-L341 HydrophobicContact CB-CD1 4.42Å; F205-L341 HydrophobicContact CD1-CB 4.22Å; F205-L341 HydrophobicContact CD1-CD1 4.22Å; F205-L341 HydrophobicContact CD2-CB 3.93Å; F205-L341 HydrophobicContact CE2-CB 4.25Å; F205-L341 HydrophobicContact CG-CB 3.92Å; F205-L341 HydrophobicContact CG-CD1 4.38Å; F205-N342 HydrophobicContact CD2-CB 3.98Å; F205-N342 HydrophobicContact CE2-CB 4.38Å; F205-V345 HydrophobicContact CE2-CG2 4.1Å; F205-V345 HydrophobicContact CZ-CG2 3.84Å; F205-L484 HydrophobicContact CE1-CD1 3.93Å; F205-L484 HydrophobicContact CZ-CD1 4.43Å
206	T	93.4	Very high	93.4	Very high	17 Å²	17	24.1 Å²	24.1	10%	0.104	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-45.9	174.4	-60	0	0	0	0	111.2	S202 E203 S210 T334	S202-T206 WeakPolarHBondContact O-CB 3.46Å; S202-T206 PolarHBondContact O-N 3.17Å; S202-T206 VanDerWaalsContact O-N 3.17Å; S202-T206 PolarHBondContact O-OG1 3.24Å; E203-T206 WeakPolarHBondContact O-CB 3.18Å; E203-T206 PolarHBondContact O-N 3.47Å; E203-T206 VanDerWaalsContact O-N 3.14Å; T206-S210 WeakPolarHBondContact O-CB 3.13Å; T206-S210 PolarHBondContact O-N 3.23Å; T206-T334 HydrophobicContact CG2-CG2 3.69Å
207	V	92.9	Very high	92.9	Very high	9 Å²	9	18.8 Å²	18.8	6%	0.055	12%	0.115	C	C	.	.	H	α-helix	trans	-64.9	-46	178.1	172.6	0	0	0	0	110.9	E203 D204 S210 N211 K224 L229	E203-V207 WeakPolarHBondContact O-CG2 3.42Å; E203-V207 PolarHBondContact O-N 3.19Å; D204-V207 PolarHBondContact O-N 2.76Å; V207-S210 PolarHBondContact O-N 2.87Å; V207-N211 WeakPolarHBondContact O-CB 3.36Å; V207-N211 PolarHBondContact O-N 3.42Å; V207-K224 HydrophobicContact CG1-CB 4.44Å; V207-K224 HydrophobicContact CG2-CB 4.09Å; V207-K224 HydrophobicContact CG2-CG 4.07Å; V207-L229 HydrophobicContact CG1-CD2 4.36Å; V207-L229 HydrophobicContact CG2-CD2 4.11Å
208	A	94.8	Very high	92.2	Very high	4 Å²	4	16.8 Å²	16.8	3%	0.033	10%	0.099	C	C	.	.	H	α-helix	trans	-60.7	-48.6	179	0	0	0	0	0	112.1	L187 D204 N211 V212 F480	L187-A208 HydrophobicContact CD2-CB 4.18Å; D204-A208 WeakPolarHBondContact O-CB 3.38Å; D204-A208 PolarHBondContact O-N 3.17Å; A208-N211 PolarHBondContact O-N 3.27Å; A208-V212 PolarHBondContact O-N 3.01Å; A208-F480 HydrophobicContact CB-CE1 4Å; A208-F480 HydrophobicContact CB-CZ 4.03Å
209	A	94.6	Very high	91.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.2	-43.2	177	0	0	0	0	0	111.9	F205 N211 V212 I213 T334 A337 A338	F205-A209 VanDerWaalsContact O-CB 3.3Å; F205-A209 WeakPolarHBondContact O-CB 3.36Å; F205-A209 PolarHBondContact O-N 2.95Å; A209-N211 VanDerWaalsContact C-N 3.35Å; A209-N211 PolarHBondContact O-N 2.72Å; A209-V212 PolarHBondContact O-N 3.27Å; A209-I213 PolarHBondContact O-N 2.84Å; A209-T334 WeakPolarHBondContact CB-O 3.49Å; A209-A337 HydrophobicContact CB-CB 3.96Å; A209-A338 HydrophobicContact CB-CB 4.29Å
210	S	93.3	Very high	90.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-44.6	177	-176.7	0	0	0	0	112.2	T206 V207 V212 I213 T214 L229 H233 T334	T206-S210 WeakPolarHBondContact O-CB 3.13Å; T206-S210 PolarHBondContact O-N 3.23Å; V207-S210 PolarHBondContact O-N 2.87Å; S210-V212 PolarHBondContact O-N 3.11Å; S210-I213 VanDerWaalsContact O-CG2 3.27Å; S210-I213 WeakPolarHBondContact O-CG2 3.26Å; S210-I213 PolarHBondContact O-N 3.47Å; S210-I213 VanDerWaalsContact O-N 3.12Å; S210-T214 WeakPolarHBondContact O-CG2 3.2Å; S210-T214 PolarHBondContact O-N 3.28Å; S210-T214 PolarHBondContact O-OG1 2.85Å; S210-T214 VanDerWaalsContact O-OG1 3.11Å; S210-L229 WeakPolarHBondContact OG-CD1 3.35Å; S210-H233 WeakPolarHBondContact CB-CE1 3.09Å; S210-H233 WeakPolarHBondContact CB-NE2 3.44Å; S210-H233 PolarHBondContact OG-CE1 3.2Å; S210-H233 PolarHBondContact OG-NE2 3.3Å; S210-T334 WeakPolarHBondContact CA-OG1 3.44Å; S210-T334 WeakPolarHBondContact CB-OG1 3.43Å
211	N	93.1	Very high	89.9	Confident	3 Å²	3	20.9 Å²	20.9	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-32.4	-179.3	-81.4	-18.7	0	0	0	112.1	Q183 V207 A208 A209 T214 T215 Y222	Q183-N211 VanDerWaalsContact CD-CB 3.41Å; Q183-N211 HydrophobicContact CG-CB 3.96Å; Q183-N211 PolarHBondContact OE1-ND2 2.95Å; V207-N211 WeakPolarHBondContact O-CB 3.36Å; V207-N211 PolarHBondContact O-N 3.42Å; A208-N211 PolarHBondContact O-N 3.27Å; A209-N211 VanDerWaalsContact C-N 3.35Å; A209-N211 PolarHBondContact O-N 2.72Å; N211-T214 WeakPolarHBondContact CA-OG1 3.36Å; N211-T214 PolarHBondContact O-OG1 3.4Å; N211-T215 WeakPolarHBondContact O-CB 3.49Å; N211-T215 PolarHBondContact O-N 2.94Å; N211-T215 PolarHBondContact O-OG1 3.06Å; N211-Y222 PolarHBondContact ND2-O 3.48Å; N211-Y222 WeakPolarHBondContact OD1-CB 3.38Å; N211-Y222 PolarHBondContact OD1-N 3.25Å; N211-Y222 PolarHBondContact OD1-O 2.64Å
212	V	93.4	Very high	89.2	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.9	-53.5	172.2	-178.8	0	0	0	0	109.8	L176 V179 I180 Q183 A208 A209 S210 T215 L216 E476 F480	L176-V212 HydrophobicContact CD1-CG1 4.08Å; V179-V212 HydrophobicContact CG1-CB 4.34Å; V179-V212 HydrophobicContact CG1-CG1 4.08Å; V179-V212 HydrophobicContact CG1-CG2 4.38Å; I180-V212 HydrophobicContact CG1-CG1 3.89Å; I180-V212 HydrophobicContact CG1-CG2 4.08Å; Q183-V212 HydrophobicContact CB-CG2 4.13Å; Q183-V212 HydrophobicContact CG-CG2 3.97Å; A208-V212 PolarHBondContact O-N 3.01Å; A209-V212 PolarHBondContact O-N 3.27Å; S210-V212 PolarHBondContact O-N 3.11Å; V212-T215 PolarHBondContact O-N 3.25Å; V212-L216 HydrophobicContact CG1-CD1 3.87Å; V212-L216 VanDerWaalsContact O-CG 3.23Å; V212-L216 WeakPolarHBondContact O-CG 3.46Å; V212-L216 PolarHBondContact O-N 3.2Å; V212-E476 HydrophobicContact CG1-CG 4.26Å; V212-E476 WeakPolarHBondContact CG1-OE1 3.26Å; V212-F480 HydrophobicContact CG2-CE2 4.05Å; V212-F480 HydrophobicContact CG2-CZ 3.93Å
213	I	91.1	Very high	88.8	Confident	6 Å²	6	23 Å²	23	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-71.8	-35.3	-176	-166.7	59.3	0	0	0	113.6	A209 S210 T215 L216 A217 L329 L330	A209-I213 PolarHBondContact O-N 2.84Å; S210-I213 VanDerWaalsContact O-CG2 3.27Å; S210-I213 WeakPolarHBondContact O-CG2 3.26Å; S210-I213 PolarHBondContact O-N 3.47Å; S210-I213 VanDerWaalsContact O-N 3.12Å; I213-T215 VanDerWaalsContact C-N 3.32Å; I213-T215 PolarHBondContact O-N 3.21Å; I213-L216 PolarHBondContact O-N 3.25Å; I213-A217 WeakPolarHBondContact O-CB 2.99Å; I213-A217 PolarHBondContact O-N 3.3Å; I213-L329 HydrophobicContact CD1-CB 4.17Å; I213-L329 HydrophobicContact CD1-CD2 4.37Å; I213-L329 HydrophobicContact CG1-CB 4.22Å; I213-L329 WeakPolarHBondContact CG1-O 3.28Å; I213-L330 HydrophobicContact CG2-CD2 4.26Å
214	T	89.8	Confident	88.1	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.2	-32.8	176.2	60.5	0	0	0	0	111.7	S210 N211 F218 G219 K220 Y222 L330	S210-T214 WeakPolarHBondContact O-CG2 3.2Å; S210-T214 PolarHBondContact O-N 3.28Å; S210-T214 PolarHBondContact O-OG1 2.85Å; S210-T214 VanDerWaalsContact O-OG1 3.11Å; N211-T214 WeakPolarHBondContact CA-OG1 3.36Å; N211-T214 PolarHBondContact O-OG1 3.4Å; T214-F218 WeakPolarHBondContact O-CA 3.3Å; T214-F218 WeakPolarHBondContact O-CB 3.45Å; T214-F218 PolarHBondContact O-N 3.34Å; T214-G219 PolarHBondContact O-N 2.87Å; T214-K220 CarbonylContact C-O 3.42Å; T214-K220 VanDerWaalsContact C-O 3.23Å; T214-K220 WeakPolarHBondContact CB-O 3.46Å; T214-K220 PolarHBondContact O-N 2.93Å; T214-K220 PolarHBondContact OG1-O 2.84Å; T214-Y222 HydrophobicContact CG2-CD2 4.13Å; T214-Y222 HydrophobicContact CG2-CE2 3.9Å; T214-L330 HydrophobicContact CG2-CD2 3.73Å
215	T	88.9	Confident	87.6	Confident	18 Å²	18	26 Å²	26	11%	0.11	15%	0.145	C	C	.	.	H	α-helix	trans	-68.9	-42.7	173.7	-56.6	0	0	0	0	111	V179 N211 V212 I213 G219 K220 E221	V179-T215 HydrophobicContact CG1-CG2 3.97Å; V179-T215 HydrophobicContact CG2-CG2 3.67Å; N211-T215 WeakPolarHBondContact O-CB 3.49Å; N211-T215 PolarHBondContact O-N 2.94Å; N211-T215 PolarHBondContact O-OG1 3.06Å; V212-T215 PolarHBondContact O-N 3.25Å; I213-T215 VanDerWaalsContact C-N 3.32Å; I213-T215 PolarHBondContact O-N 3.21Å; T215-G219 WeakPolarHBondContact O-CA 3.13Å; T215-G219 PolarHBondContact O-N 3.28Å; T215-K220 PolarHBondContact N-O 2.85Å; T215-E221 HydrophobicContact CG2-CG 4.33Å; T215-E221 WeakPolarHBondContact OG1-CG 3.29Å
216	L	87.1	Confident	87.2	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-68.5	-39.6	175.9	-63.5	168.7	0	0	0	111.7	C171 L176 V212 I213 A296 I297	C171-L216 HydrophobicContact CB-CD2 4.14Å; L176-L216 HydrophobicContact CB-CD2 4.37Å; L176-L216 HydrophobicContact CD1-CD1 3.53Å; L176-L216 HydrophobicContact CD1-CD2 4.27Å; L176-L216 HydrophobicContact CD1-CG 4.45Å; V212-L216 HydrophobicContact CG1-CD1 3.87Å; V212-L216 VanDerWaalsContact O-CG 3.23Å; V212-L216 WeakPolarHBondContact O-CG 3.46Å; V212-L216 PolarHBondContact O-N 3.2Å; I213-L216 PolarHBondContact O-N 3.25Å; L216-A296 WeakPolarHBondContact O-CA 3.49Å; L216-I297 HydrophobicContact CB-CD1 4.02Å; L216-I297 WeakPolarHBondContact O-CG1 3.43Å; L216-I297 PolarHBondContact O-N 2.86Å
217	A	83.7	Confident	86.8	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.008	18%	0.177	C	C	.	.	H	α-helix	trans	-73.9	-44.9	-176.4	0	0	0	0	0	112.6	I213 T298	I213-A217 WeakPolarHBondContact O-CB 2.99Å; I213-A217 PolarHBondContact O-N 3.3Å; A217-T298 VanDerWaalsContact O-CB 3.22Å; A217-T298 WeakPolarHBondContact O-CB 3.1Å; A217-T298 PolarHBondContact O-N 2.84Å; A217-T298 PolarHBondContact O-OG1 3.25Å
218	F	78.8	Confident	86.4	Confident	22 Å²	22	33 Å²	33	10%	0.096	19%	0.186	C	C	.	.	H	α-helix	trans	-127.9	-8.7	-168.1	-47.7	-61.4	0	0	0	114.3	T214 K220 T298 T326 L330	T214-F218 WeakPolarHBondContact O-CA 3.3Å; T214-F218 WeakPolarHBondContact O-CB 3.45Å; T214-F218 PolarHBondContact O-N 3.34Å; F218-K220 VanDerWaalsContact C-N 3.28Å; F218-K220 HydrophobicContact CB-CB 4.4Å; F218-T298 WeakPolarHBondContact CD1-OG1 3.38Å; F218-T326 HydrophobicContact CE1-CG2 3.4Å; F218-T326 HydrophobicContact CE2-CG2 4.35Å; F218-T326 HydrophobicContact CZ-CG2 3.15Å; F218-L330 HydrophobicContact CE2-CD1 4.18Å; F218-L330 HydrophobicContact CE2-CD2 4.07Å; F218-L330 HydrophobicContact CE2-CG 4.48Å; F218-L330 HydrophobicContact CZ-CD1 4.15Å
219	G	79.6	Confident	85.9	Confident	42 Å²	42	33 Å²	33	43%	0.433	19%	0.185	S	C	.	.	S	Bend	trans	71.2	22.1	-170.9	0	0	0	0	0	113.6	T214 T215	T214-G219 PolarHBondContact O-N 2.87Å; T215-G219 WeakPolarHBondContact O-CA 3.13Å; T215-G219 PolarHBondContact O-N 3.28Å
220	K	79.3	Confident	85.5	Confident	82 Å²	82	37.2 Å²	37.2	36%	0.357	21%	0.205	S	C	.	.			trans	-119.4	129.7	-177.4	-170.8	171.4	175.8	-175.4	0	111.7	T214 T215 F218 Y222 E228	T214-K220 CarbonylContact C-O 3.42Å; T214-K220 VanDerWaalsContact C-O 3.23Å; T214-K220 WeakPolarHBondContact CB-O 3.46Å; T214-K220 PolarHBondContact O-N 2.93Å; T214-K220 PolarHBondContact OG1-O 2.84Å; T215-K220 PolarHBondContact N-O 2.85Å; F218-K220 VanDerWaalsContact C-N 3.28Å; F218-K220 HydrophobicContact CB-CB 4.4Å; K220-Y222 HydrophobicContact CB-CE2 4.24Å; K220-Y222 HydrophobicContact CD-CE1 4.04Å; K220-Y222 HydrophobicContact CD-CE2 4.02Å; K220-Y222 VanDerWaalsContact CE-CE1 3.49Å; K220-Y222 HydrophobicContact CG-CD2 4.37Å; K220-Y222 HydrophobicContact CG-CE2 3.88Å; K220-E228 IonicContact NZ-OE1 3.67Å; K220-E228 IonicContact NZ-OE2 2.63Å; K220-E228 PolarHBondContact NZ-OE2 3.06Å
221	E	82.1	Confident	85.2	Confident	87 Å²	87	40.8 Å²	40.8	41%	0.407	22%	0.222	S	C	.	.			trans	-101.8	145.9	170.4	-66.9	178.1	-166.1	0	0	108.7	R182 Q183 T215	R182-E221 IonicContact CZ-OE1 3.46Å; R182-E221 IonicContact NE-OE1 3.92Å; R182-E221 PolarHBondContact NE-OE1 2.7Å; R182-E221 IonicContact NH2-OE1 3.74Å; R182-E221 PolarHBondContact NH2-OE1 3.36Å; Q183-E221 PolarHBondContact NE2-OE2 2.99Å; Q183-E221 VanDerWaalsContact NE2-OE2 3.15Å; T215-E221 HydrophobicContact CG2-CG 4.33Å; T215-E221 WeakPolarHBondContact OG1-CG 3.29Å
222	Y	81.5	Confident	85	Confident	12 Å²	12	40.7 Å²	40.7	5%	0.047	22%	0.222	C	C	.	.			trans	-123.3	142.4	-178.1	-68.1	-92.9	0	0	0	111.1	N211 T214 K220 S226 E228 L229 H282	N211-Y222 PolarHBondContact ND2-O 3.48Å; N211-Y222 WeakPolarHBondContact OD1-CB 3.38Å; N211-Y222 PolarHBondContact OD1-N 3.25Å; N211-Y222 PolarHBondContact OD1-O 2.64Å; T214-Y222 HydrophobicContact CG2-CD2 4.13Å; T214-Y222 HydrophobicContact CG2-CE2 3.9Å; K220-Y222 HydrophobicContact CB-CE2 4.24Å; K220-Y222 HydrophobicContact CD-CE1 4.04Å; K220-Y222 HydrophobicContact CD-CE2 4.02Å; K220-Y222 VanDerWaalsContact CE-CE1 3.49Å; K220-Y222 HydrophobicContact CG-CD2 4.37Å; K220-Y222 HydrophobicContact CG-CE2 3.88Å; Y222-S226 WeakPolarHBondContact CD1-OG 3.32Å; Y222-E228 HydrophobicContact CE1-CB 4.22Å; Y222-E228 HydrophobicContact CE1-CG 4.05Å; Y222-E228 VanDerWaalsContact CE1-OE2 3.29Å; Y222-E228 WeakPolarHBondContact CE1-OE2 3.34Å; Y222-L229 HydrophobicContact CD1-CB 3.92Å; Y222-L229 HydrophobicContact CD2-CD1 3.98Å; Y222-L229 HydrophobicContact CG-CB 4.01Å; Y222-L229 HydrophobicContact CG-CD1 3.96Å; Y222-L229 HydrophobicContact CG-CG 4.37Å; Y222-H282 PolarHBondContact OH-CE1 2.96Å
223	D	83.3	Confident	84.6	Confident	84 Å²	84	41.6 Å²	41.6	45%	0.449	23%	0.225	S	C	.	.			trans	-77.4	153.2	166.9	-169.8	-87.2	0	0	0	110.4	T225 S226	D223-T225 PolarHBondContact O-N 3.2Å; D223-T225 WeakPolarHBondContact OD1-CB 3.43Å; D223-T225 PolarHBondContact OD1-N 2.87Å; D223-T225 PolarHBondContact OD1-OG1 2.99Å; D223-S226 WeakPolarHBondContact O-CB 3.3Å; D223-S226 PolarHBondContact O-N 3.1Å
224	K	78.8	Confident	84.4	Confident	51 Å²	51	45.9 Å²	45.9	22%	0.222	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-34.5	174.6	-179.1	172.8	-172.9	172.5	0	112.4	Y194 E203 D204 V207 S226 Q230	Y194-K224 PolarHBondContact OH-NZ 2.89Å; E203-K224 WeakPolarHBondContact OE2-CE 3.49Å; E203-K224 IonicContact OE2-NZ 2.68Å; D204-K224 IonicContact OD1-NZ 2.78Å; D204-K224 PolarHBondContact OD1-NZ 3.28Å; D204-K224 IonicContact OD2-NZ 3.8Å; D204-K224 PolarHBondContact OD2-NZ 2.85Å; V207-K224 HydrophobicContact CG1-CB 4.44Å; V207-K224 HydrophobicContact CG2-CB 4.09Å; V207-K224 HydrophobicContact CG2-CG 4.07Å; K224-S226 PolarHBondContact O-N 2.76Å; K224-Q230 PolarHBondContact O-NE2 3.15Å
225	T	84.1	Confident	84.5	Confident	108 Å²	108	45.9 Å²	45.9	66%	0.663	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-0.4	178.8	62.5	0	0	0	0	113.8	D223 P227	D223-T225 PolarHBondContact O-N 3.2Å; D223-T225 WeakPolarHBondContact OD1-CB 3.43Å; D223-T225 PolarHBondContact OD1-N 2.87Å; D223-T225 PolarHBondContact OD1-OG1 2.99Å; T225-P227 VanDerWaalsContact O-CD 3.25Å; T225-P227 WeakPolarHBondContact O-CD 3.28Å
226	S	87	Confident	84.5	Confident	23 Å²	23	45.4 Å²	45.4	16%	0.161	24%	0.242	C	C	.	.			trans	-66.1	117.2	-178.6	-177.5	0	0	0	0	111	Y222 D223 K224 E228 L229 Q230	Y222-S226 WeakPolarHBondContact CD1-OG 3.32Å; D223-S226 WeakPolarHBondContact O-CB 3.3Å; D223-S226 PolarHBondContact O-N 3.1Å; K224-S226 PolarHBondContact O-N 2.76Å; S226-E228 PolarHBondContact O-N 3.17Å; S226-L229 PolarHBondContact O-N 2.63Å; S226-Q230 WeakPolarHBondContact O-CG 3.24Å; S226-Q230 PolarHBondContact O-N 3.44Å
227	P	85.9	Confident	84.5	Confident	96 Å²	96	47.5 Å²	47.5	62%	0.623	25%	0.253	S	S	*	.	H	α-helix	trans	-64.4	-31.5	179.5	23.4	-31	0	0	0	111.8	T225 E231	T225-P227 VanDerWaalsContact O-CD 3.25Å; T225-P227 WeakPolarHBondContact O-CD 3.28Å; P227-E231 WeakPolarHBondContact O-CB 3.47Å; P227-E231 PolarHBondContact O-N 2.98Å
228	E	84.7	Confident	84.8	Confident	54 Å²	54	50.7 Å²	50.7	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-44.5	177.1	-175.3	175.6	-148.6	0	0	111.6	K220 Y222 S226 L232 H282	K220-E228 IonicContact NZ-OE1 3.67Å; K220-E228 IonicContact NZ-OE2 2.63Å; K220-E228 PolarHBondContact NZ-OE2 3.06Å; Y222-E228 HydrophobicContact CE1-CB 4.22Å; Y222-E228 HydrophobicContact CE1-CG 4.05Å; Y222-E228 VanDerWaalsContact CE1-OE2 3.29Å; Y222-E228 WeakPolarHBondContact CE1-OE2 3.34Å; S226-E228 PolarHBondContact O-N 3.17Å; E228-L232 WeakPolarHBondContact O-CB 3.38Å; E228-L232 PolarHBondContact O-N 3.27Å; E228-H282 VanDerWaalsContact CD-CE1 3.5Å; E228-H282 IonicContact OE1-CE1 2.95Å; E228-H282 PolarHBondContact OE1-CE1 3.28Å; E228-H282 IonicContact OE1-ND1 3.97Å; E228-H282 IonicContact OE1-NE2 2.73Å; E228-H282 PolarHBondContact OE1-NE2 3.47Å
229	L	83.9	Confident	85.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-65.7	-47.5	176.7	-174.7	72.2	0	0	0	111.3	V207 S210 Y222 S226 E231 L232 H233	V207-L229 HydrophobicContact CG1-CD2 4.36Å; V207-L229 HydrophobicContact CG2-CD2 4.11Å; S210-L229 WeakPolarHBondContact OG-CD1 3.35Å; Y222-L229 HydrophobicContact CD1-CB 3.92Å; Y222-L229 HydrophobicContact CD2-CD1 3.98Å; Y222-L229 HydrophobicContact CG-CB 4.01Å; Y222-L229 HydrophobicContact CG-CD1 3.96Å; Y222-L229 HydrophobicContact CG-CG 4.37Å; S226-L229 PolarHBondContact O-N 2.63Å; L229-E231 VanDerWaalsContact C-N 3.32Å; L229-E231 PolarHBondContact O-N 3.29Å; L229-L232 PolarHBondContact O-N 3.24Å; L229-H233 VanDerWaalsContact CD1-CE1 3.43Å; L229-H233 WeakPolarHBondContact CD1-CE1 3.25Å; L229-H233 WeakPolarHBondContact O-CB 3.4Å; L229-H233 PolarHBondContact O-N 3.37Å
230	Q	86.1	Confident	85.7	Confident	89 Å²	89	49 Å²	49	42%	0.416	25%	0.25	S	C	.	.	H	α-helix	trans	-60.7	-43.1	179.5	-71.4	-179.7	-10.5	0	0	111.4	K224 S226 H234	K224-Q230 PolarHBondContact O-NE2 3.15Å; S226-Q230 WeakPolarHBondContact O-CG 3.24Å; S226-Q230 PolarHBondContact O-N 3.44Å; Q230-H234 WeakPolarHBondContact O-CB 3.3Å; Q230-H234 PolarHBondContact O-N 2.71Å
231	E	88.2	Confident	86	Confident	75 Å²	75	48.1 Å²	48.1	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-47.1	176.3	172.9	164.8	-154.2	0	0	111.8	P227 L229 H234 C235 R274 I278	P227-E231 WeakPolarHBondContact O-CB 3.47Å; P227-E231 PolarHBondContact O-N 2.98Å; L229-E231 VanDerWaalsContact C-N 3.32Å; L229-E231 PolarHBondContact O-N 3.29Å; E231-H234 PolarHBondContact O-N 3.24Å; E231-C235 VanDerWaalsContact O-CB 3.28Å; E231-C235 WeakPolarHBondContact O-CB 3.39Å; E231-C235 PolarHBondContact O-N 3.41Å; E231-R274 IonicContact OE1-CZ 2.64Å; E231-R274 IonicContact OE1-NE 3.72Å; E231-R274 PolarHBondContact OE1-NE 3.29Å; E231-R274 IonicContact OE1-NH2 3.58Å; E231-R274 PolarHBondContact OE1-NH2 2.6Å; E231-I278 HydrophobicContact CG-CD1 3.76Å
232	L	86.9	Confident	86.3	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-50.1	178.1	178	60.4	0	0	0	111.5	E228 L229 H234 C235 L236 I278 I279 L330	E228-L232 WeakPolarHBondContact O-CB 3.38Å; E228-L232 PolarHBondContact O-N 3.27Å; L229-L232 PolarHBondContact O-N 3.24Å; L232-H234 PolarHBondContact O-N 3.26Å; L232-C235 PolarHBondContact O-N 3.28Å; L232-L236 HydrophobicContact CD1-CD1 3.97Å; L232-L236 HydrophobicContact CD1-CG 4.1Å; L232-L236 HydrophobicContact CG-CD1 4.11Å; L232-L236 WeakPolarHBondContact O-CG 3.18Å; L232-L236 PolarHBondContact O-N 3.36Å; L232-I278 HydrophobicContact CD1-CG2 4.1Å; L232-I279 HydrophobicContact CD1-CD1 4.05Å; L232-L330 HydrophobicContact CD2-CD1 4.08Å
233	H	85.8	Confident	86.5	Confident	18 Å²	18	47.8 Å²	47.8	8%	0.083	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-43.8	178	-74.1	162.9	0	0	0	112.8	S210 L229 C235 L236 N237	S210-H233 WeakPolarHBondContact CB-CE1 3.09Å; S210-H233 WeakPolarHBondContact CB-NE2 3.44Å; S210-H233 PolarHBondContact OG-CE1 3.2Å; S210-H233 PolarHBondContact OG-NE2 3.3Å; L229-H233 VanDerWaalsContact CD1-CE1 3.43Å; L229-H233 WeakPolarHBondContact CD1-CE1 3.25Å; L229-H233 WeakPolarHBondContact O-CB 3.4Å; L229-H233 PolarHBondContact O-N 3.37Å; H233-C235 VanDerWaalsContact C-N 3.3Å; H233-C235 PolarHBondContact O-N 3.28Å; H233-L236 PolarHBondContact O-N 2.85Å; H233-N237 VanDerWaalsContact O-CB 3.28Å; H233-N237 WeakPolarHBondContact O-CB 3.22Å; H233-N237 PolarHBondContact O-N 2.87Å; H233-N237 PolarHBondContact O-ND2 3.43Å; H233-N237 VanDerWaalsContact O-ND2 3.12Å
234	H	87.9	Confident	86.5	Confident	97 Å²	97	45.8 Å²	45.8	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-58.9	-46.6	176.9	179.7	81.6	0	0	0	110.6	Q230 E231 L232 K238	Q230-H234 WeakPolarHBondContact O-CB 3.3Å; Q230-H234 PolarHBondContact O-N 2.71Å; E231-H234 PolarHBondContact O-N 3.24Å; L232-H234 PolarHBondContact O-N 3.26Å; H234-K238 WeakPolarHBondContact O-CB 3.48Å; H234-K238 PolarHBondContact O-N 2.86Å
235	C	91.3	Very high	86.6	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-49.4	179.5	-169.1	0	0	0	0	111.9	E231 L232 H233 K238 I239 E271	E231-C235 VanDerWaalsContact O-CB 3.28Å; E231-C235 WeakPolarHBondContact O-CB 3.39Å; E231-C235 PolarHBondContact O-N 3.41Å; L232-C235 PolarHBondContact O-N 3.28Å; H233-C235 VanDerWaalsContact C-N 3.3Å; H233-C235 PolarHBondContact O-N 3.28Å; C235-K238 PolarHBondContact O-N 3.17Å; C235-I239 VanDerWaalsContact O-CG1 3.31Å; C235-I239 WeakPolarHBondContact O-CG1 3.45Å; C235-I239 PolarHBondContact O-N 2.8Å; C235-E271 PolarHBondContact SG-O 3.12Å
236	L	89.2	Confident	86.4	Confident	7 Å²	7	42.6 Å²	42.6	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-46.7	179.5	-68.1	179	0	0	0	112.2	L232 H233 K238 I239 V240 R275 L330 I331	L232-L236 HydrophobicContact CD1-CD1 3.97Å; L232-L236 HydrophobicContact CD1-CG 4.1Å; L232-L236 HydrophobicContact CG-CD1 4.11Å; L232-L236 WeakPolarHBondContact O-CG 3.18Å; L232-L236 PolarHBondContact O-N 3.36Å; H233-L236 PolarHBondContact O-N 2.85Å; L236-K238 VanDerWaalsContact C-N 3.3Å; L236-K238 PolarHBondContact O-N 3.19Å; L236-I239 PolarHBondContact O-N 3.35Å; L236-V240 WeakPolarHBondContact O-CG2 3.26Å; L236-V240 PolarHBondContact O-N 3.44Å; L236-R275 HydrophobicContact CD2-CG 3.78Å; L236-L330 HydrophobicContact CD1-CB 3.99Å; L236-I331 HydrophobicContact CB-CG1 4.32Å; L236-I331 HydrophobicContact CD1-CG1 4.07Å; L236-I331 HydrophobicContact CD2-CD1 3.98Å; L236-I331 HydrophobicContact CD2-CG1 3.79Å; L236-I331 HydrophobicContact CG-CG1 4.28Å
237	N	86.4	Confident	86.2	Confident	45 Å²	45	43.9 Å²	43.9	24%	0.241	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-41.4	177.7	-87.6	-57	0	0	0	112.2	H233 V240 A241 E335 K511	H233-N237 VanDerWaalsContact O-CB 3.28Å; H233-N237 WeakPolarHBondContact O-CB 3.22Å; H233-N237 PolarHBondContact O-N 2.87Å; H233-N237 PolarHBondContact O-ND2 3.43Å; H233-N237 VanDerWaalsContact O-ND2 3.12Å; N237-V240 PolarHBondContact O-N 2.92Å; N237-A241 WeakPolarHBondContact O-CB 3.18Å; N237-A241 PolarHBondContact O-N 3.2Å; N237-E335 VanDerWaalsContact CG-OE1 3.31Å; N237-E335 PolarHBondContact ND2-OE1 3.27Å; N237-E335 PolarHBondContact OD1-OE1 3.33Å; N237-E335 VanDerWaalsContact OD1-OE1 3.12Å; N237-E335 PolarHBondContact OD1-OE2 3.01Å; N237-K511 PolarHBondContact OD1-NZ 2.97Å; N237-K511 VanDerWaalsContact OD1-NZ 3.08Å
238	K	89.7	Confident	86.2	Confident	68 Å²	68	39.3 Å²	39.3	30%	0.296	21%	0.214	S	C	.	.	H	α-helix	trans	-67.3	-39.1	178.6	-167.3	168.3	174.6	-167.1	0	111.9	H234 C235 L236 A241 L242 C267 E271	H234-K238 WeakPolarHBondContact O-CB 3.48Å; H234-K238 PolarHBondContact O-N 2.86Å; C235-K238 PolarHBondContact O-N 3.17Å; L236-K238 VanDerWaalsContact C-N 3.3Å; L236-K238 PolarHBondContact O-N 3.19Å; K238-A241 PolarHBondContact O-N 2.93Å; K238-L242 HydrophobicContact CG-CD1 3.88Å; K238-L242 HydrophobicContact CG-CG 4.3Å; K238-L242 VanDerWaalsContact O-CB 3.28Å; K238-L242 WeakPolarHBondContact O-CB 3.39Å; K238-L242 WeakPolarHBondContact O-CG 3.47Å; K238-L242 PolarHBondContact O-N 3.48Å; K238-C267 VanDerWaalsContact CE-SG 3.59Å; K238-E271 HydrophobicContact CB-CG 4.43Å; K238-E271 HydrophobicContact CD-CG 3.86Å; K238-E271 WeakPolarHBondContact CE-OE1 3.41Å; K238-E271 HydrophobicContact CG-CG 4.07Å; K238-E271 IonicContact NZ-OE1 3.82Å; K238-E271 PolarHBondContact NZ-OE1 3.48Å
239	I	91.4	Very high	86.1	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.036	22%	0.219	C	C	.	.	H	α-helix	trans	-59.4	-48.9	172.3	-69.7	166.2	0	0	0	110.4	V141 C235 L236 A241 L242 W243 L268 E271 V272 R275	V141-I239 HydrophobicContact CG1-CG2 4.21Å; C235-I239 VanDerWaalsContact O-CG1 3.31Å; C235-I239 WeakPolarHBondContact O-CG1 3.45Å; C235-I239 PolarHBondContact O-N 2.8Å; L236-I239 PolarHBondContact O-N 3.35Å; I239-A241 PolarHBondContact O-N 3.17Å; I239-L242 PolarHBondContact O-N 2.88Å; I239-W243 WeakPolarHBondContact O-CB 3.34Å; I239-W243 PolarHBondContact O-N 3.44Å; I239-L268 HydrophobicContact CB-CD1 4.44Å; I239-L268 HydrophobicContact CG1-CD1 4.46Å; I239-L268 HydrophobicContact CG2-CD1 4.1Å; I239-E271 HydrophobicContact CD1-CB 4.26Å; I239-E271 HydrophobicContact CG1-CB 3.67Å; I239-V272 HydrophobicContact CD1-CG2 4.24Å; I239-V272 HydrophobicContact CG1-CG2 4.35Å; I239-R275 HydrophobicContact CD1-CB 3.85Å; I239-R275 HydrophobicContact CD1-CG 4.35Å
240	V	86.8	Confident	86.1	Confident	22 Å²	22	39.7 Å²	39.7	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-45.1	-179.4	171.9	0	0	0	0	111.4	L236 N237 G244 I331 V508	L236-V240 WeakPolarHBondContact O-CG2 3.26Å; L236-V240 PolarHBondContact O-N 3.44Å; N237-V240 PolarHBondContact O-N 2.92Å; V240-G244 PolarHBondContact O-N 3.08Å; V240-I331 HydrophobicContact CG2-CG2 4.16Å; V240-V508 HydrophobicContact CG1-CB 3.74Å; V240-V508 HydrophobicContact CG1-CG1 4.47Å; V240-V508 HydrophobicContact CG1-CG2 3.87Å
241	A	85.9	Confident	86.2	Confident	63 Å²	63	35.5 Å²	35.5	52%	0.521	20%	0.204	S	C	.	.	H	α-helix	trans	-65.2	-46.7	178.8	0	0	0	0	0	112.4	N237 K238 I239 S245	N237-A241 WeakPolarHBondContact O-CB 3.18Å; N237-A241 PolarHBondContact O-N 3.2Å; K238-A241 PolarHBondContact O-N 2.93Å; I239-A241 PolarHBondContact O-N 3.17Å; A241-S245 PolarHBondContact O-N 2.99Å
242	L	87.4	Confident	86.2	Confident	31 Å²	31	33.8 Å²	33.8	16%	0.162	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-46.7	179	-71.1	171.6	0	0	0	111.3	K238 I239 G244 S245 I248 V264 C267 L268	K238-L242 HydrophobicContact CG-CD1 3.88Å; K238-L242 HydrophobicContact CG-CG 4.3Å; K238-L242 VanDerWaalsContact O-CB 3.28Å; K238-L242 WeakPolarHBondContact O-CB 3.39Å; K238-L242 WeakPolarHBondContact O-CG 3.47Å; K238-L242 PolarHBondContact O-N 3.48Å; I239-L242 PolarHBondContact O-N 2.88Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-G244 PolarHBondContact O-N 3.17Å; L242-S245 VanDerWaalsContact O-CB 3.3Å; L242-S245 WeakPolarHBondContact O-CB 3.43Å; L242-S245 PolarHBondContact O-N 2.83Å; L242-S245 VanDerWaalsContact O-N 3.15Å; L242-S245 PolarHBondContact O-OG 3.4Å; L242-I248 WeakPolarHBondContact O-CB 3.3Å; L242-I248 WeakPolarHBondContact O-CG1 3.13Å; L242-V264 HydrophobicContact CD2-CG1 3.74Å; L242-C267 HydrophobicContact CD1-CB 4.34Å; L242-L268 HydrophobicContact CB-CB 4.42Å; L242-L268 HydrophobicContact CB-CD1 4.09Å; L242-L268 HydrophobicContact CD1-CB 4.27Å
243	W	86.2	Confident	86.1	Confident	61 Å²	61	34.6 Å²	34.6	23%	0.231	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-39.1	-179.6	-179.8	64.2	0	0	0	112.3	T137 L150 I239 S245 V508	T137-W243 PolarHBondContact OG1-NE1 2.63Å; L150-W243 HydrophobicContact CD1-CH2 4.18Å; L150-W243 HydrophobicContact CD1-CZ2 4.04Å; L150-W243 HydrophobicContact CD2-CH2 3.78Å; L150-W243 HydrophobicContact CD2-CZ2 4.15Å; I239-W243 WeakPolarHBondContact O-CB 3.34Å; I239-W243 PolarHBondContact O-N 3.44Å; W243-S245 PolarHBondContact O-N 3.42Å; W243-V508 HydrophobicContact CE3-CG2 4.06Å; W243-V508 HydrophobicContact CZ3-CG2 3.99Å
244	G	81.8	Confident	86.1	Confident	43 Å²	43	35.4 Å²	35.4	44%	0.443	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.7	175.6	0	0	0	0	0	114.9	V240 L242	V240-G244 PolarHBondContact O-N 3.08Å; L242-G244 VanDerWaalsContact C-N 3.34Å; L242-G244 PolarHBondContact O-N 3.17Å
245	S	82.3	Confident	86	Confident	35 Å²	35	34.3 Å²	34.3	25%	0.245	21%	0.208	C	C	.	.	S	Bend	trans	-68.9	146.6	-178.7	73.3	0	0	0	0	112.7	A241 L242 W243 W247 I248 S249	A241-S245 PolarHBondContact O-N 2.99Å; L242-S245 VanDerWaalsContact O-CB 3.3Å; L242-S245 WeakPolarHBondContact O-CB 3.43Å; L242-S245 PolarHBondContact O-N 2.83Å; L242-S245 VanDerWaalsContact O-N 3.15Å; L242-S245 PolarHBondContact O-OG 3.4Å; W243-S245 PolarHBondContact O-N 3.42Å; S245-W247 PolarHBondContact O-N 2.65Å; S245-I248 PolarHBondContact O-N 3.49Å; S245-I248 WeakPolarHBondContact OG-CG1 3.41Å; S245-I248 PolarHBondContact OG-N 3.32Å; S245-S249 PolarHBondContact O-N 3.33Å; S245-S249 PolarHBondContact O-OG 3.14Å
246	S	80.4	Confident	85.8	Confident	57 Å²	57	39.3 Å²	39.3	40%	0.399	24%	0.235	S	C	.	.	H	α-helix	trans	-55.1	-35.5	176.1	-59.9	0	0	0	0	112.8	A250	S246-A250 PolarHBondContact O-N 3.48Å
247	W	82.1	Confident	85.7	Confident	50 Å²	50	39.7 Å²	39.7	19%	0.189	24%	0.237	C	C	.	.	H	α-helix	trans	-70.3	-41.7	-179	-171.9	-112.9	0	0	0	112.7	V15 S245 A250 N262	V15-W247 HydrophobicContact CG1-CE3 4Å; V15-W247 HydrophobicContact CG1-CZ3 3.99Å; V15-W247 HydrophobicContact CG2-CE3 4.23Å; S245-W247 PolarHBondContact O-N 2.65Å; W247-A250 WeakPolarHBondContact O-CB 3.26Å; W247-A250 PolarHBondContact O-N 2.73Å; W247-N262 VanDerWaalsContact NE1-CG 3.26Å; W247-N262 PolarHBondContact NE1-ND2 2.91Å; W247-N262 PolarHBondContact NE1-OD1 3.43Å; W247-N262 VanDerWaalsContact NE1-OD1 3.13Å
248	I	86.1	Confident	85.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-42	174.8	-64.5	-56.5	0	0	0	110.5	T137 L242 S245 A250 L251 V264 F265 L268	T137-I248 HydrophobicContact CG2-CG2 3.66Å; L242-I248 WeakPolarHBondContact O-CB 3.3Å; L242-I248 WeakPolarHBondContact O-CG1 3.13Å; S245-I248 PolarHBondContact O-N 3.49Å; S245-I248 WeakPolarHBondContact OG-CG1 3.41Å; S245-I248 PolarHBondContact OG-N 3.32Å; I248-A250 PolarHBondContact O-N 3.08Å; I248-L251 HydrophobicContact CD1-CD1 4.12Å; I248-L251 VanDerWaalsContact O-CB 3.28Å; I248-L251 WeakPolarHBondContact O-CB 3.41Å; I248-L251 PolarHBondContact O-N 3.27Å; I248-V264 HydrophobicContact CD1-CB 4.43Å; I248-V264 HydrophobicContact CD1-CG1 4.01Å; I248-V264 HydrophobicContact CG1-CG1 4.08Å; I248-F265 HydrophobicContact CD1-CB 3.87Å; I248-F265 HydrophobicContact CD1-CD2 4.12Å; I248-L268 HydrophobicContact CD1-CD2 4.46Å; I248-L268 HydrophobicContact CG2-CD2 4.13Å
249	S	82.7	Confident	85.8	Confident	51 Å²	51	47.5 Å²	47.5	36%	0.357	27%	0.266	S	S	.	.	H	α-helix	trans	-58.7	-31.7	174.9	-64.5	0	0	0	0	113.1	S245 L251 D252 S253	S245-S249 PolarHBondContact O-N 3.33Å; S245-S249 PolarHBondContact O-OG 3.14Å; S249-L251 VanDerWaalsContact C-N 3.27Å; S249-L251 PolarHBondContact O-N 3Å; S249-D252 PolarHBondContact O-N 2.91Å; S249-S253 PolarHBondContact O-N 3.44Å
250	A	84.5	Confident	85.7	Confident	12 Å²	12	51.3 Å²	51.3	10%	0.099	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-28.6	175.7	0	0	0	0	0	112.8	S246 W247 I248 D252 S253 F254 L257	S246-A250 PolarHBondContact O-N 3.48Å; W247-A250 WeakPolarHBondContact O-CB 3.26Å; W247-A250 PolarHBondContact O-N 2.73Å; I248-A250 PolarHBondContact O-N 3.08Å; A250-D252 PolarHBondContact O-N 3.05Å; A250-S253 PolarHBondContact O-N 3.33Å; A250-F254 HydrophobicContact CB-CD2 4.43Å; A250-F254 PolarHBondContact O-N 3.01Å; A250-L257 HydrophobicContact CB-CD1 3.92Å
251	L	88.4	Confident	85.7	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-65.7	-28.1	177.3	-57.7	-179.3	0	0	0	112.6	T137 I248 S249 L257 R258 F265	T137-L251 HydrophobicContact CG2-CB 3.93Å; T137-L251 HydrophobicContact CG2-CD1 4.15Å; I248-L251 HydrophobicContact CD1-CD1 4.12Å; I248-L251 VanDerWaalsContact O-CB 3.28Å; I248-L251 WeakPolarHBondContact O-CB 3.41Å; I248-L251 PolarHBondContact O-N 3.27Å; S249-L251 VanDerWaalsContact C-N 3.27Å; S249-L251 PolarHBondContact O-N 3Å; L251-L257 HydrophobicContact CD2-CB 3.71Å; L251-R258 HydrophobicContact CB-CG 4.42Å; L251-R258 PolarHBondContact O-NE 2.73Å; L251-R258 PolarHBondContact O-NH2 2.96Å; L251-F265 HydrophobicContact CD1-CB 4.15Å; L251-F265 HydrophobicContact CD1-CD2 3.78Å; L251-F265 HydrophobicContact CD1-CE2 4.33Å; L251-F265 HydrophobicContact CD1-CG 3.93Å
252	D	87.2	Confident	85.9	Confident	39 Å²	39	54.1 Å²	54.1	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-77.2	-39	175.3	-71.1	-34.6	0	0	0	111.6	S135 Y136 T137 S249 A250	S135-D252 PolarHBondContact OG-OD1 3.02Å; S135-D252 PolarHBondContact OG-OD2 3.41Å; Y136-D252 WeakPolarHBondContact CA-OD1 3.4Å; Y136-D252 WeakPolarHBondContact CB-OD1 3.36Å; Y136-D252 PolarHBondContact N-OD1 3.45Å; T137-D252 PolarHBondContact N-OD1 3.35Å; T137-D252 PolarHBondContact OG1-OD2 2.83Å; S249-D252 PolarHBondContact O-N 2.91Å; A250-D252 PolarHBondContact O-N 3.05Å
253	S	84.1	Confident	86	Confident	19 Å²	19	57.6 Å²	57.6	13%	0.133	32%	0.322	C	S	.	.	H	α-helix	trans	-78	-30.5	-179.7	-62.7	0	0	0	0	113.5	M77 S249 A250	M77-S253 WeakPolarHBondContact CE-OG 3.31Å; S249-S253 PolarHBondContact O-N 3.44Å; A250-S253 PolarHBondContact O-N 3.33Å
254	F	85.8	Confident	86.1	Confident	34 Å²	34	56.3 Å²	56.3	15%	0.149	32%	0.322	C	S	.	.			trans	-129.3	88.4	-174.6	-57.6	-77.8	0	0	0	111.5	F19 M77 A250 L256 L257	F19-F254 HydrophobicContact CE2-CD1 4.35Å; F19-F254 HydrophobicContact CE2-CD2 4.42Å; F19-F254 HydrophobicContact CE2-CE1 4.35Å; F19-F254 HydrophobicContact CE2-CE2 4.41Å; F19-F254 HydrophobicContact CE2-CG 4.39Å; F19-F254 HydrophobicContact CE2-CZ 4.39Å; F19-F254 HydrophobicContact CZ-CE1 4.23Å; F19-F254 HydrophobicContact CZ-CZ 4.38Å; M77-F254 HydrophobicContact CE-CD2 4.4Å; M77-F254 HydrophobicContact CE-CE2 3.62Å; M77-F254 HydrophobicContact CE-CZ 4.4Å; A250-F254 HydrophobicContact CB-CD2 4.43Å; A250-F254 PolarHBondContact O-N 3.01Å; F254-L256 PolarHBondContact O-N 2.94Å; F254-L257 HydrophobicContact CB-CD1 3.79Å; F254-L257 HydrophobicContact CB-CG 3.86Å; F254-L257 HydrophobicContact CD2-CD1 4.3Å; F254-L257 HydrophobicContact CG-CD1 4.41Å; F254-L257 WeakPolarHBondContact O-CB 3.44Å; F254-L257 PolarHBondContact O-N 3.42Å
255	P	87.3	Confident	86.6	Confident	75 Å²	75	55.7 Å²	55.7	49%	0.487	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-57.8	-24.4	-175.9	-27.9	35.3	0	0	0	115.5	L257 R258	P255-L257 VanDerWaalsContact C-N 3.27Å; P255-L257 PolarHBondContact O-N 3.38Å; P255-R258 WeakPolarHBondContact O-CB 3.41Å; P255-R258 WeakPolarHBondContact O-CG 3.34Å; P255-R258 PolarHBondContact O-N 3.33Å
256	L	87	Confident	87.2	Confident	105 Å²	105	56.7 Å²	56.7	55%	0.55	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-65.7	-29.5	177.5	-64.3	176.7	0	0	0	112.7	L26 F254 R258 K259	L26-L256 HydrophobicContact CD1-CD1 3.99Å; L26-L256 HydrophobicContact CD2-CD1 4.49Å; F254-L256 PolarHBondContact O-N 2.94Å; L256-R258 PolarHBondContact O-N 3.01Å; L256-K259 PolarHBondContact O-N 2.93Å
257	L	86.9	Confident	87.8	Confident	15 Å²	15	55.8 Å²	55.8	8%	0.079	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-65.1	-21.7	178.6	-63.5	-178.9	0	0	0	112.4	A250 L251 F254 P255 K259 L260	A250-L257 HydrophobicContact CB-CD1 3.92Å; L251-L257 HydrophobicContact CD2-CB 3.71Å; F254-L257 HydrophobicContact CB-CD1 3.79Å; F254-L257 HydrophobicContact CB-CG 3.86Å; F254-L257 HydrophobicContact CD2-CD1 4.3Å; F254-L257 HydrophobicContact CG-CD1 4.41Å; F254-L257 WeakPolarHBondContact O-CB 3.44Å; F254-L257 PolarHBondContact O-N 3.42Å; P255-L257 VanDerWaalsContact C-N 3.27Å; P255-L257 PolarHBondContact O-N 3.38Å; L257-K259 PolarHBondContact O-N 2.83Å; L257-L260 HydrophobicContact CD2-CD1 4.08Å; L257-L260 PolarHBondContact O-N 3.42Å
258	R	90.4	Very high	88.4	Confident	95 Å²	95	53.4 Å²	53.4	36%	0.358	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-65.6	-17.2	179	-56.5	175.3	-166.9	169.9	2.7	113.4	Y136 L251 P255 L256	Y136-R258 VanDerWaalsContact CB-CZ 3.49Å; Y136-R258 HydrophobicContact CD1-CG 4.25Å; Y136-R258 HydrophobicContact CE1-CG 4.2Å; L251-R258 HydrophobicContact CB-CG 4.42Å; L251-R258 PolarHBondContact O-NE 2.73Å; L251-R258 PolarHBondContact O-NH2 2.96Å; P255-R258 WeakPolarHBondContact O-CB 3.41Å; P255-R258 WeakPolarHBondContact O-CG 3.34Å; P255-R258 PolarHBondContact O-N 3.33Å; L256-R258 PolarHBondContact O-N 3.01Å
259	K	88.1	Confident	88.7	Confident	181 Å²	181	56.8 Å²	56.8	79%	0.787	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-87.3	-12.4	178.6	-62.1	-173.2	179	-174.5	0	113.4	L256 L257	L256-K259 PolarHBondContact O-N 2.93Å; L257-K259 PolarHBondContact O-N 2.83Å
260	L	88.7	Confident	89.4	Confident	87 Å²	87	61.6 Å²	61.6	46%	0.455	33%	0.333	S	S	.	.	S	Bend	trans	-87.8	146.9	-178.3	-61.3	176.2	0	0	0	110.3	A22 L257 N262	A22-L260 HydrophobicContact CB-CD1 4.41Å; L257-L260 HydrophobicContact CD2-CD1 4.08Å; L257-L260 PolarHBondContact O-N 3.42Å; L260-N262 PolarHBondContact O-N 2.98Å
261	P	87.1	Confident	89.9	Confident	128 Å²	128	61.2 Å²	61.2	83%	0.831	33%	0.33	S	S	*	.			trans	-56.6	123.9	170.4	-21.9	32.6	0	0	0	110.1
262	N	88.7	Confident	90.2	Very high	17 Å²	17	61.6 Å²	61.6	9%	0.091	33%	0.332	C	S	.	.			trans	-131.2	98.3	-176.7	-174.1	-20.1	0	0	0	109.8	W247 L260 V264 F265 A266	W247-N262 VanDerWaalsContact NE1-CG 3.26Å; W247-N262 PolarHBondContact NE1-ND2 2.91Å; W247-N262 PolarHBondContact NE1-OD1 3.43Å; W247-N262 VanDerWaalsContact NE1-OD1 3.13Å; L260-N262 PolarHBondContact O-N 2.98Å; N262-V264 VanDerWaalsContact C-N 3.29Å; N262-V264 PolarHBondContact O-N 3.44Å; N262-V264 WeakPolarHBondContact OD1-CB 3.45Å; N262-V264 PolarHBondContact OD1-N 2.67Å; N262-F265 HydrophobicContact CB-CB 3.79Å; N262-F265 VanDerWaalsContact CG-CB 3.42Å; N262-F265 PolarHBondContact O-N 3.06Å; N262-F265 PolarHBondContact OD1-N 3.49Å; N262-A266 PolarHBondContact O-N 3Å
263	P	89.6	Confident	90.6	Very high	103 Å²	103	62.7 Å²	62.7	67%	0.669	35%	0.346	S	S	*	.	H	α-helix	trans	-65.3	-33.4	-177.4	25.2	-33.2	0	0	0	112.4	A266 C267	P263-A266 PolarHBondContact O-N 3.25Å; P263-C267 WeakPolarHBondContact O-CB 3.33Å; P263-C267 PolarHBondContact O-N 3.19Å
264	V	89.8	Confident	91.1	Very high	35 Å²	35	66.2 Å²	66.2	21%	0.212	36%	0.357	C	S	.	.	H	α-helix	trans	-64.3	-44.3	176.2	-175.2	0	0	0	0	110.2	L242 I248 N262 C267 L268	L242-V264 HydrophobicContact CD2-CG1 3.74Å; I248-V264 HydrophobicContact CD1-CB 4.43Å; I248-V264 HydrophobicContact CD1-CG1 4.01Å; I248-V264 HydrophobicContact CG1-CG1 4.08Å; N262-V264 VanDerWaalsContact C-N 3.29Å; N262-V264 PolarHBondContact O-N 3.44Å; N262-V264 WeakPolarHBondContact OD1-CB 3.45Å; N262-V264 PolarHBondContact OD1-N 2.67Å; V264-C267 WeakPolarHBondContact O-CB 3.32Å; V264-C267 PolarHBondContact O-N 3.37Å; V264-L268 PolarHBondContact O-N 3.3Å
265	F	92.3	Very high	91.6	Very high	29 Å²	29	64.7 Å²	64.7	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-38.9	176.6	-176.7	-117.6	0	0	0	112.4	Y136 I140 I248 L251 N262 C267 L268 L269	Y136-F265 HydrophobicContact CE1-CE1 4.26Å; Y136-F265 HydrophobicContact CE1-CE2 4.15Å; Y136-F265 AromaticContact CE1-CZ 3.59Å; Y136-F265 HydrophobicContact CE1-CZ 3.59Å; I140-F265 HydrophobicContact CD1-CE2 3.89Å; I140-F265 HydrophobicContact CD1-CZ 3.52Å; I248-F265 HydrophobicContact CD1-CB 3.87Å; I248-F265 HydrophobicContact CD1-CD2 4.12Å; L251-F265 HydrophobicContact CD1-CB 4.15Å; L251-F265 HydrophobicContact CD1-CD2 3.78Å; L251-F265 HydrophobicContact CD1-CE2 4.33Å; L251-F265 HydrophobicContact CD1-CG 3.93Å; N262-F265 HydrophobicContact CB-CB 3.79Å; N262-F265 VanDerWaalsContact CG-CB 3.42Å; N262-F265 PolarHBondContact O-N 3.06Å; N262-F265 PolarHBondContact OD1-N 3.49Å; F265-C267 VanDerWaalsContact C-N 3.31Å; F265-C267 PolarHBondContact O-N 2.86Å; F265-L268 HydrophobicContact CD2-CD2 4.25Å; F265-L268 WeakPolarHBondContact O-CB 3.33Å; F265-L268 PolarHBondContact O-N 3.31Å; F265-L269 HydrophobicContact CD1-CD1 4.15Å; F265-L269 HydrophobicContact CE1-CD1 3.81Å; F265-L269 HydrophobicContact CE1-CG 4.28Å; F265-L269 HydrophobicContact CE2-CD2 4.45Å; F265-L269 HydrophobicContact CE2-CG 4.5Å; F265-L269 HydrophobicContact CZ-CD1 4.2Å; F265-L269 HydrophobicContact CZ-CD2 4.14Å; F265-L269 HydrophobicContact CZ-CG 4.25Å; F265-L269 WeakPolarHBondContact O-CG 3.35Å; F265-L269 PolarHBondContact O-N 2.82Å
266	A	93.1	Very high	91.9	Very high	57 Å²	57	62.7 Å²	62.7	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-40	173.3	0	0	0	0	0	111.8	N262 P263 L269 K270	N262-A266 PolarHBondContact O-N 3Å; P263-A266 PolarHBondContact O-N 3.25Å; A266-L269 PolarHBondContact O-N 3.28Å; A266-K270 PolarHBondContact O-N 3.47Å
267	C	94.1	Very high	92.2	Very high	37 Å²	37	60.4 Å²	60.4	25%	0.25	33%	0.332	C	S	.	.	H	α-helix	trans	-62.8	-44	173.1	-172.7	0	0	0	0	111.4	K238 L242 P263 V264 F265 L269 K270 E271	K238-C267 VanDerWaalsContact CE-SG 3.59Å; L242-C267 HydrophobicContact CD1-CB 4.34Å; P263-C267 WeakPolarHBondContact O-CB 3.33Å; P263-C267 PolarHBondContact O-N 3.19Å; V264-C267 WeakPolarHBondContact O-CB 3.32Å; V264-C267 PolarHBondContact O-N 3.37Å; F265-C267 VanDerWaalsContact C-N 3.31Å; F265-C267 PolarHBondContact O-N 2.86Å; C267-L269 PolarHBondContact O-N 3.06Å; C267-K270 WeakPolarHBondContact O-CB 3.45Å; C267-K270 PolarHBondContact O-N 2.77Å; C267-E271 WeakPolarHBondContact O-CG 3.45Å; C267-E271 PolarHBondContact O-N 2.82Å
268	L	93.5	Very high	92.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.4	-46.6	175	177.2	64.3	0	0	0	111.7	V141 I239 L242 I248 V264 F265 K270 E271 V272	V141-L268 HydrophobicContact CG1-CD1 4.07Å; V141-L268 HydrophobicContact CG1-CD2 4.28Å; V141-L268 HydrophobicContact CG1-CG 4.41Å; I239-L268 HydrophobicContact CB-CD1 4.44Å; I239-L268 HydrophobicContact CG1-CD1 4.46Å; I239-L268 HydrophobicContact CG2-CD1 4.1Å; L242-L268 HydrophobicContact CB-CB 4.42Å; L242-L268 HydrophobicContact CB-CD1 4.09Å; L242-L268 HydrophobicContact CD1-CB 4.27Å; I248-L268 HydrophobicContact CD1-CD2 4.46Å; I248-L268 HydrophobicContact CG2-CD2 4.13Å; V264-L268 PolarHBondContact O-N 3.3Å; F265-L268 HydrophobicContact CD2-CD2 4.25Å; F265-L268 WeakPolarHBondContact O-CB 3.33Å; F265-L268 PolarHBondContact O-N 3.31Å; L268-K270 VanDerWaalsContact C-N 3.31Å; L268-K270 PolarHBondContact O-N 3.3Å; L268-E271 PolarHBondContact O-N 3.16Å; L268-V272 HydrophobicContact CD1-CG2 4.28Å; L268-V272 HydrophobicContact CG-CG2 4.49Å; L268-V272 WeakPolarHBondContact O-CG2 3.23Å; L268-V272 PolarHBondContact O-N 2.83Å
269	L	94.5	Very high	92.4	Very high	72 Å²	72	56 Å²	56	38%	0.377	32%	0.315	S	S	.	.	H	α-helix	trans	-59.9	-40.9	177.2	-68.7	175.3	0	0	0	112.2	I140 F265 A266 C267 V272 A273	I140-L269 HydrophobicContact CD1-CD2 4.35Å; I140-L269 HydrophobicContact CG2-CD2 3.57Å; F265-L269 HydrophobicContact CD1-CD1 4.15Å; F265-L269 HydrophobicContact CE1-CD1 3.81Å; F265-L269 HydrophobicContact CE1-CG 4.28Å; F265-L269 HydrophobicContact CE2-CD2 4.45Å; F265-L269 HydrophobicContact CE2-CG 4.5Å; F265-L269 HydrophobicContact CZ-CD1 4.2Å; F265-L269 HydrophobicContact CZ-CD2 4.14Å; F265-L269 HydrophobicContact CZ-CG 4.25Å; F265-L269 WeakPolarHBondContact O-CG 3.35Å; F265-L269 PolarHBondContact O-N 2.82Å; A266-L269 PolarHBondContact O-N 3.28Å; C267-L269 PolarHBondContact O-N 3.06Å; L269-V272 PolarHBondContact O-N 2.79Å; L269-A273 WeakPolarHBondContact O-CB 3.45Å; L269-A273 PolarHBondContact O-N 2.93Å
270	K	96.1	Very high	92.6	Very high	151 Å²	151	52.9 Å²	52.9	66%	0.657	30%	0.301	S	S	*	.	H	α-helix	trans	-61.9	-45.8	176.5	-177.9	-178.6	176.6	-178.5	0	111.6	A266 C267 L268 A273 R274	A266-K270 PolarHBondContact O-N 3.47Å; C267-K270 WeakPolarHBondContact O-CB 3.45Å; C267-K270 PolarHBondContact O-N 2.77Å; L268-K270 VanDerWaalsContact C-N 3.31Å; L268-K270 PolarHBondContact O-N 3.3Å; K270-A273 PolarHBondContact O-N 2.85Å; K270-R274 WeakPolarHBondContact O-CB 3.5Å; K270-R274 PolarHBondContact O-N 3.39Å
271	E	95.4	Very high	92.6	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.023	31%	0.306	C	S	.	.	H	α-helix	trans	-68.3	-39.5	178.6	-60.1	-57.4	157.3	0	0	111.5	C235 K238 I239 C267 L268 A273 R274 R275	C235-E271 PolarHBondContact SG-O 3.12Å; K238-E271 HydrophobicContact CB-CG 4.43Å; K238-E271 HydrophobicContact CD-CG 3.86Å; K238-E271 WeakPolarHBondContact CE-OE1 3.41Å; K238-E271 HydrophobicContact CG-CG 4.07Å; K238-E271 IonicContact NZ-OE1 3.82Å; K238-E271 PolarHBondContact NZ-OE1 3.48Å; I239-E271 HydrophobicContact CD1-CB 4.26Å; I239-E271 HydrophobicContact CG1-CB 3.67Å; C267-E271 WeakPolarHBondContact O-CG 3.45Å; C267-E271 PolarHBondContact O-N 2.82Å; L268-E271 PolarHBondContact O-N 3.16Å; E271-A273 VanDerWaalsContact C-N 3.34Å; E271-A273 PolarHBondContact O-N 2.92Å; E271-R274 PolarHBondContact O-N 3.3Å; E271-R275 WeakPolarHBondContact O-CB 3.47Å; E271-R275 PolarHBondContact O-N 3.49Å
272	V	95	Very high	92.5	Very high	10 Å²	10	49.2 Å²	49.2	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-58.3	-46.1	173.5	168.8	0	0	0	0	111.3	V141 I239 L268 L269 R274 R275 D276	V141-V272 HydrophobicContact CB-CG2 4.46Å; V141-V272 HydrophobicContact CG1-CG2 3.91Å; I239-V272 HydrophobicContact CD1-CG2 4.24Å; I239-V272 HydrophobicContact CG1-CG2 4.35Å; L268-V272 HydrophobicContact CD1-CG2 4.28Å; L268-V272 HydrophobicContact CG-CG2 4.49Å; L268-V272 WeakPolarHBondContact O-CG2 3.23Å; L268-V272 PolarHBondContact O-N 2.83Å; L269-V272 PolarHBondContact O-N 2.79Å; V272-R274 VanDerWaalsContact C-N 3.33Å; V272-R274 PolarHBondContact O-N 2.78Å; V272-R275 PolarHBondContact O-N 3.12Å; V272-D276 WeakPolarHBondContact O-CB 3.42Å; V272-D276 VanDerWaalsContact O-CG 3.23Å; V272-D276 PolarHBondContact O-N 3.03Å
273	A	95.6	Very high	92.3	Very high	61 Å²	61	49 Å²	49	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-39.3	177	0	0	0	0	0	112.4	L269 K270 E271 D276 A277	L269-A273 WeakPolarHBondContact O-CB 3.45Å; L269-A273 PolarHBondContact O-N 2.93Å; K270-A273 PolarHBondContact O-N 2.85Å; E271-A273 VanDerWaalsContact C-N 3.34Å; E271-A273 PolarHBondContact O-N 2.92Å; A273-D276 PolarHBondContact O-N 3.49Å; A273-A277 PolarHBondContact O-N 3.18Å
274	R	94.9	Very high	92.2	Very high	93 Å²	93	48.9 Å²	48.9	35%	0.351	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-48.8	176.9	-173.8	-177.2	-173.4	176.4	4.1	111.6	E231 K270 E271 V272 D276 A277 I278	E231-R274 IonicContact OE1-CZ 2.64Å; E231-R274 IonicContact OE1-NE 3.72Å; E231-R274 PolarHBondContact OE1-NE 3.29Å; E231-R274 IonicContact OE1-NH2 3.58Å; E231-R274 PolarHBondContact OE1-NH2 2.6Å; K270-R274 WeakPolarHBondContact O-CB 3.5Å; K270-R274 PolarHBondContact O-N 3.39Å; E271-R274 PolarHBondContact O-N 3.3Å; V272-R274 VanDerWaalsContact C-N 3.33Å; V272-R274 PolarHBondContact O-N 2.78Å; R274-D276 VanDerWaalsContact C-N 3.31Å; R274-D276 PolarHBondContact O-N 3.41Å; R274-A277 WeakPolarHBondContact O-CB 3.3Å; R274-A277 PolarHBondContact O-N 2.88Å; R274-I278 HydrophobicContact CG-CD1 4.13Å; R274-I278 WeakPolarHBondContact O-CG1 3.3Å; R274-I278 PolarHBondContact O-N 3.42Å; R274-I278 VanDerWaalsContact O-N 3.08Å
275	R	94.8	Very high	91.9	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.011	27%	0.274	C	S	.	.	H	α-helix	trans	-52.9	-51.1	173.1	177.1	-160.1	69.4	-171	2.3	110.6	V141 L236 I239 E271 V272 A277 I278 I279 V327	V141-R275 PolarHBondContact O-NH1 3.3Å; V141-R275 PolarHBondContact O-NH2 2.93Å; V141-R275 VanDerWaalsContact O-NH2 3.15Å; L236-R275 HydrophobicContact CD2-CG 3.78Å; I239-R275 HydrophobicContact CD1-CB 3.85Å; I239-R275 HydrophobicContact CD1-CG 4.35Å; E271-R275 WeakPolarHBondContact O-CB 3.47Å; E271-R275 PolarHBondContact O-N 3.49Å; V272-R275 PolarHBondContact O-N 3.12Å; R275-A277 VanDerWaalsContact C-N 3.26Å; R275-A277 PolarHBondContact O-N 3.03Å; R275-I278 PolarHBondContact O-N 3.25Å; R275-I279 HydrophobicContact CG-CG1 4.31Å; R275-I279 WeakPolarHBondContact O-CG1 3.33Å; R275-I279 PolarHBondContact O-N 2.94Å; R275-V327 HydrophobicContact CG-CG2 4.32Å
276	D	94.3	Very high	91.2	Very high	33 Å²	33	49.3 Å²	49.3	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-32.4	-176.2	-68.8	-0.4	0	0	0	111.9	V272 A273 R274 K280 H323	V272-D276 WeakPolarHBondContact O-CB 3.42Å; V272-D276 VanDerWaalsContact O-CG 3.23Å; V272-D276 PolarHBondContact O-N 3.03Å; A273-D276 PolarHBondContact O-N 3.49Å; R274-D276 VanDerWaalsContact C-N 3.31Å; R274-D276 PolarHBondContact O-N 3.41Å; D276-K280 VanDerWaalsContact O-CB 3.22Å; D276-K280 WeakPolarHBondContact O-CB 3.27Å; D276-K280 WeakPolarHBondContact O-CD 3.03Å; D276-K280 WeakPolarHBondContact O-CG 3.43Å; D276-K280 PolarHBondContact O-N 2.95Å; D276-H323 PolarHBondContact O-CE1 3.04Å; D276-H323 IonicContact OD1-NE2 2.67Å; D276-H323 PolarHBondContact OD1-NE2 3.35Å
277	A	93.7	Very high	90.6	Very high	57 Å²	57	51 Å²	51	47%	0.471	27%	0.267	S	S	.	.	H	α-helix	trans	-65.3	-48.4	173.4	0	0	0	0	0	111.7	A273 R274 R275 K280 Q281	A273-A277 PolarHBondContact O-N 3.18Å; R274-A277 WeakPolarHBondContact O-CB 3.3Å; R274-A277 PolarHBondContact O-N 2.88Å; R275-A277 VanDerWaalsContact C-N 3.26Å; R275-A277 PolarHBondContact O-N 3.03Å; A277-K280 PolarHBondContact O-N 2.78Å; A277-Q281 WeakPolarHBondContact O-CB 3.33Å; A277-Q281 PolarHBondContact O-N 3Å
278	I	90.8	Very high	89.9	Confident	17 Å²	17	52.8 Å²	52.8	9%	0.087	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-49.7	179.4	-64.8	161.7	0	0	0	110.6	E231 L232 R274 R275 K280 Q281 H282	E231-I278 HydrophobicContact CG-CD1 3.76Å; L232-I278 HydrophobicContact CD1-CG2 4.1Å; R274-I278 HydrophobicContact CG-CD1 4.13Å; R274-I278 WeakPolarHBondContact O-CG1 3.3Å; R274-I278 PolarHBondContact O-N 3.42Å; R274-I278 VanDerWaalsContact O-N 3.08Å; R275-I278 PolarHBondContact O-N 3.25Å; I278-K280 PolarHBondContact O-N 3.12Å; I278-Q281 WeakPolarHBondContact O-CB 3.16Å; I278-Q281 PolarHBondContact O-N 3.14Å; I278-H282 PolarHBondContact O-CD2 3.18Å; I278-H282 VanDerWaalsContact O-CD2 3.22Å; I278-H282 PolarHBondContact O-N 3.34Å
279	I	90.8	Very high	89	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-38.6	-179.1	-60.4	-59.5	0	0	0	111.3	L232 R275 Q281 H282 L283 H323 T326 V327 L330	L232-I279 HydrophobicContact CD1-CD1 4.05Å; R275-I279 HydrophobicContact CG-CG1 4.31Å; R275-I279 WeakPolarHBondContact O-CG1 3.33Å; R275-I279 PolarHBondContact O-N 2.94Å; I279-Q281 VanDerWaalsContact C-N 3.34Å; I279-Q281 PolarHBondContact O-N 3.11Å; I279-H282 PolarHBondContact O-N 2.86Å; I279-L283 HydrophobicContact CG2-CD1 4.12Å; I279-L283 HydrophobicContact CG2-CG 4.37Å; I279-L283 WeakPolarHBondContact O-CG 3.3Å; I279-L283 PolarHBondContact O-N 2.99Å; I279-H323 VanDerWaalsContact CB-CE1 3.46Å; I279-H323 WeakPolarHBondContact CB-CE1 3.49Å; I279-H323 VanDerWaalsContact CG2-CE1 3.48Å; I279-H323 WeakPolarHBondContact CG2-CE1 3.32Å; I279-T326 HydrophobicContact CD1-CG2 4.3Å; I279-T326 HydrophobicContact CG2-CG2 4.03Å; I279-V327 HydrophobicContact CG1-CG2 4.02Å; I279-L330 HydrophobicContact CD1-CD1 3.5Å
280	K	91.3	Very high	87	Confident	115 Å²	115	62.9 Å²	62.9	50%	0.5	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-42.6	173.6	-79.2	169.1	-170.6	172.5	0	111.7	D276 A277 I278 H282 L283 N284	D276-K280 VanDerWaalsContact O-CB 3.22Å; D276-K280 WeakPolarHBondContact O-CB 3.27Å; D276-K280 WeakPolarHBondContact O-CD 3.03Å; D276-K280 WeakPolarHBondContact O-CG 3.43Å; D276-K280 PolarHBondContact O-N 2.95Å; A277-K280 PolarHBondContact O-N 2.78Å; I278-K280 PolarHBondContact O-N 3.12Å; K280-H282 VanDerWaalsContact C-N 3.35Å; K280-H282 PolarHBondContact O-N 3.32Å; K280-L283 PolarHBondContact O-N 3.48Å; K280-N284 WeakPolarHBondContact O-CB 3.21Å; K280-N284 PolarHBondContact O-N 2.91Å; K280-N284 PolarHBondContact O-ND2 3.18Å
281	Q	89.1	Confident	85.4	Confident	118 Å²	118	64.4 Å²	64.4	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-58.8	-48.2	176.1	-179.3	178.5	-17.6	0	0	110.7	A277 I278 I279 L283 N284 S285	A277-Q281 WeakPolarHBondContact O-CB 3.33Å; A277-Q281 PolarHBondContact O-N 3Å; I278-Q281 WeakPolarHBondContact O-CB 3.16Å; I278-Q281 PolarHBondContact O-N 3.14Å; I279-Q281 VanDerWaalsContact C-N 3.34Å; I279-Q281 PolarHBondContact O-N 3.11Å; Q281-L283 PolarHBondContact O-N 3.47Å; Q281-N284 PolarHBondContact O-N 3.12Å; Q281-S285 WeakPolarHBondContact O-CB 3.48Å; Q281-S285 PolarHBondContact O-N 2.91Å; Q281-S285 PolarHBondContact O-OG 3.43Å; Q281-S285 VanDerWaalsContact O-OG 3.11Å
282	H	84.6	Confident	83.8	Confident	20 Å²	20	67.5 Å²	67.5	9%	0.093	36%	0.358	C	S	.	.	H	α-helix	trans	-57.8	-48.4	176	-79.2	-59.8	0	0	0	113.4	Y222 E228 I278 I279 K280 N284 S285 Y286	Y222-H282 PolarHBondContact OH-CE1 2.96Å; E228-H282 VanDerWaalsContact CD-CE1 3.5Å; E228-H282 IonicContact OE1-CE1 2.95Å; E228-H282 PolarHBondContact OE1-CE1 3.28Å; E228-H282 IonicContact OE1-ND1 3.97Å; E228-H282 IonicContact OE1-NE2 2.73Å; E228-H282 PolarHBondContact OE1-NE2 3.47Å; I278-H282 PolarHBondContact O-CD2 3.18Å; I278-H282 VanDerWaalsContact O-CD2 3.22Å; I278-H282 PolarHBondContact O-N 3.34Å; I279-H282 PolarHBondContact O-N 2.86Å; K280-H282 VanDerWaalsContact C-N 3.35Å; K280-H282 PolarHBondContact O-N 3.32Å; H282-N284 VanDerWaalsContact C-N 3.33Å; H282-N284 PolarHBondContact O-N 2.77Å; H282-S285 PolarHBondContact O-N 3.45Å; H282-Y286 WeakPolarHBondContact O-CB 3.4Å; H282-Y286 PolarHBondContact O-N 2.89Å
283	L	85.5	Confident	82.4	Confident	13 Å²	13	70.2 Å²	70.2	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-62.8	-40.3	179.1	-69.6	176.2	0	0	0	111.8	I279 K280 Q281 Y286 K287 T298 V322 H323	I279-L283 HydrophobicContact CG2-CD1 4.12Å; I279-L283 HydrophobicContact CG2-CG 4.37Å; I279-L283 WeakPolarHBondContact O-CG 3.3Å; I279-L283 PolarHBondContact O-N 2.99Å; K280-L283 PolarHBondContact O-N 3.48Å; Q281-L283 PolarHBondContact O-N 3.47Å; L283-Y286 PolarHBondContact O-N 3.3Å; L283-K287 WeakPolarHBondContact O-CB 3.45Å; L283-K287 WeakPolarHBondContact O-CG 3.43Å; L283-K287 PolarHBondContact O-N 3.35Å; L283-T298 HydrophobicContact CD2-CG2 3.44Å; L283-T298 VanDerWaalsContact CD2-CG2 3.44Å; L283-V322 HydrophobicContact CD2-CG1 4.21Å; L283-H323 HydrophobicContact CD1-CB 4Å
284	N	87	Confident	80.8	Confident	100 Å²	100	72.2 Å²	72.2	54%	0.535	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-44.9	177.8	-70.5	-14.5	0	0	0	111.7	K280 Q281 H282 Y286 K287 A288	K280-N284 WeakPolarHBondContact O-CB 3.21Å; K280-N284 PolarHBondContact O-N 2.91Å; K280-N284 PolarHBondContact O-ND2 3.18Å; Q281-N284 PolarHBondContact O-N 3.12Å; H282-N284 VanDerWaalsContact C-N 3.33Å; H282-N284 PolarHBondContact O-N 2.77Å; N284-Y286 PolarHBondContact O-N 3.44Å; N284-K287 PolarHBondContact O-N 3.15Å; N284-A288 WeakPolarHBondContact O-CB 3.4Å; N284-A288 PolarHBondContact O-N 3.12Å
285	S	83.4	Confident	79.4	Confident	64 Å²	64	71 Å²	71	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-36.3	174.8	-65.1	0	0	0	0	112	Q281 H282 Q289	Q281-S285 WeakPolarHBondContact O-CB 3.48Å; Q281-S285 PolarHBondContact O-N 2.91Å; Q281-S285 PolarHBondContact O-OG 3.43Å; Q281-S285 VanDerWaalsContact O-OG 3.11Å; H282-S285 PolarHBondContact O-N 3.45Å; S285-Q289 WeakPolarHBondContact O-CG 3.41Å
286	Y	78.6	Confident	78.8	Confident	9 Å²	9	71 Å²	71	4%	0.035	37%	0.372	C	S	.	.	H	α-helix	trans	-69.2	-46.1	175.4	-173.3	-85.6	0	0	0	111.7	H282 L283 N284 A288 Q289 I292 N293 A296 T298 G299 L302	H282-Y286 WeakPolarHBondContact O-CB 3.4Å; H282-Y286 PolarHBondContact O-N 2.89Å; L283-Y286 PolarHBondContact O-N 3.3Å; N284-Y286 PolarHBondContact O-N 3.44Å; Y286-A288 PolarHBondContact O-N 2.91Å; Y286-Q289 PolarHBondContact O-N 2.91Å; Y286-I292 HydrophobicContact CE1-CG2 4.06Å; Y286-N293 HydrophobicContact CE2-CB 4.46Å; Y286-N293 PolarHBondContact OH-N 3.18Å; Y286-N293 PolarHBondContact OH-O 3.48Å; Y286-A296 HydrophobicContact CE2-CB 4.19Å; Y286-T298 HydrophobicContact CD1-CG2 3.8Å; Y286-T298 HydrophobicContact CE1-CG2 4.08Å; Y286-T298 HydrophobicContact CG-CG2 4.11Å; Y286-G299 WeakPolarHBondContact OH-CA 3.26Å; Y286-G299 PolarHBondContact OH-N 2.66Å; Y286-L302 HydrophobicContact CD1-CD1 3.97Å; Y286-L302 HydrophobicContact CE1-CD1 4.22Å
287	K	79.2	Confident	78.3	Confident	92 Å²	92	69.4 Å²	69.4	40%	0.4	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-31.1	175.4	-75.5	178.8	179.8	-170.4	0	113	L283 N284 Q289 L302 D319	L283-K287 WeakPolarHBondContact O-CB 3.45Å; L283-K287 WeakPolarHBondContact O-CG 3.43Å; L283-K287 PolarHBondContact O-N 3.35Å; N284-K287 PolarHBondContact O-N 3.15Å; K287-Q289 VanDerWaalsContact C-N 3.32Å; K287-L302 HydrophobicContact CG-CD1 3.76Å; K287-D319 IonicContact NZ-OD1 2.75Å; K287-D319 PolarHBondContact NZ-OD1 2.83Å; K287-D319 IonicContact NZ-OD2 3.39Å; K287-D319 PolarHBondContact NZ-OD2 2.82Å
288	A	80.4	Confident	77.8	Confident	76 Å²	76	66.7 Å²	66.7	63%	0.628	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-12.6	179.8	0	0	0	0	0	114.1	N284 Y286 N290	N284-A288 WeakPolarHBondContact O-CB 3.4Å; N284-A288 PolarHBondContact O-N 3.12Å; Y286-A288 PolarHBondContact O-N 2.91Å; A288-N290 PolarHBondContact O-N 3.35Å
289	Q	73.8	Confident	77.4	Confident	107 Å²	107	65.9 Å²	65.9	50%	0.5	34%	0.337	S	S	.	.	S	Bend	trans	-76.1	121.4	177.2	-69.4	169.9	29.2	0	0	109.7	S285 Y286 K287 K291	S285-Q289 WeakPolarHBondContact O-CG 3.41Å; Y286-Q289 PolarHBondContact O-N 2.91Å; K287-Q289 VanDerWaalsContact C-N 3.32Å; Q289-K291 PolarHBondContact O-N 3Å
290	N	53.7	Low	77	Confident	176 Å²	176	68.3 Å²	68.3	94%	0.941	35%	0.348	S	S	*	.	S	Bend	trans	-58	-11.2	-178	-82.4	-21.1	0	0	0	115.1	A288	A288-N290 PolarHBondContact O-N 3.35Å
291	K	60.9	Low	76.8	Confident	183 Å²	183	62.9 Å²	62.9	80%	0.796	32%	0.324	S	S	*	.	S	Bend	trans	-125	104.3	169.9	-71.5	-174.9	178.8	-178.4	0	108.5	Q289 N293	Q289-K291 PolarHBondContact O-N 3Å; K291-N293 PolarHBondContact O-N 2.88Å; K291-N293 VanDerWaalsContact O-N 3.1Å
292	I	62.2	Low	76.5	Confident	70 Å²	70	57.9 Å²	57.9	36%	0.359	30%	0.301	S	S	.	.			trans	-58.7	116.3	166.4	-65.7	173.6	0	0	0	106.7	Y286 E294	Y286-I292 HydrophobicContact CE1-CG2 4.06Å; I292-E294 VanDerWaalsContact C-N 3.32Å; I292-E294 PolarHBondContact O-N 3.03Å
293	N	65.3	Low	76.4	Confident	68 Å²	68	59.1 Å²	59.1	36%	0.364	31%	0.307	S	S	.	.			trans	-68.4	93.9	172.1	-178.3	-4.5	0	0	0	108.5	Y286 K291 D295 A296	Y286-N293 HydrophobicContact CE2-CB 4.46Å; Y286-N293 PolarHBondContact OH-N 3.18Å; Y286-N293 PolarHBondContact OH-O 3.48Å; K291-N293 PolarHBondContact O-N 2.88Å; K291-N293 VanDerWaalsContact O-N 3.1Å; N293-D295 PolarHBondContact O-N 3.29Å; N293-D295 WeakPolarHBondContact OD1-CB 3.28Å; N293-D295 PolarHBondContact OD1-N 3.24Å; N293-D295 VanDerWaalsContact OD1-N 3.12Å; N293-A296 HydrophobicContact CB-CB 4.43Å; N293-A296 PolarHBondContact O-N 3.11Å
294	E	62	Low	76	Confident	102 Å²	102	59 Å²	59	48%	0.477	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-14.2	-177.5	-53.9	-164.8	154.8	0	0	114	I292	I292-E294 VanDerWaalsContact C-N 3.32Å; I292-E294 PolarHBondContact O-N 3.03Å
295	D	66.1	Low	75.7	Confident	69 Å²	69	54.3 Å²	54.3	37%	0.369	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.3	177.3	-65.2	-37.9	0	0	0	113.2	C171 R174 N293	C171-D295 PolarHBondContact SG-O 3.21Å; R174-D295 WeakPolarHBondContact CD-OD1 3.46Å; R174-D295 IonicContact CZ-OD1 2.72Å; R174-D295 IonicContact NE-OD1 3.42Å; R174-D295 IonicContact NH1-OD1 2.63Å; R174-D295 PolarHBondContact NH1-OD1 3.47Å; N293-D295 PolarHBondContact O-N 3.29Å; N293-D295 WeakPolarHBondContact OD1-CB 3.28Å; N293-D295 PolarHBondContact OD1-N 3.24Å; N293-D295 VanDerWaalsContact OD1-N 3.12Å
296	A	81.7	Confident	75.3	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	29%	0.287	C	S	.	.	S	Bend	trans	-88.5	142.9	172.7	0	0	0	0	0	111.3	L216 Y286 N293 T298 G299 F300	L216-A296 WeakPolarHBondContact O-CA 3.49Å; Y286-A296 HydrophobicContact CE2-CB 4.19Å; N293-A296 HydrophobicContact CB-CB 4.43Å; N293-A296 PolarHBondContact O-N 3.11Å; A296-T298 VanDerWaalsContact C-N 3.26Å; A296-T298 PolarHBondContact O-N 2.75Å; A296-G299 PolarHBondContact O-N 3.07Å; A296-G299 VanDerWaalsContact O-N 3.1Å; A296-F300 PolarHBondContact O-N 2.8Å
297	I	83.4	Confident	74.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-55.9	-44	179.5	-63.6	165.7	0	0	0	110.3	A167 L168 C171 L216 G299 F300 L301 L329	A167-I297 HydrophobicContact CB-CG2 3.83Å; L168-I297 HydrophobicContact CD1-CD1 3.61Å; C171-I297 HydrophobicContact CB-CG1 4.24Å; C171-I297 VanDerWaalsContact SG-CG1 3.51Å; L216-I297 HydrophobicContact CB-CD1 4.02Å; L216-I297 WeakPolarHBondContact O-CG1 3.43Å; L216-I297 PolarHBondContact O-N 2.86Å; I297-G299 VanDerWaalsContact C-N 3.31Å; I297-G299 PolarHBondContact O-N 3.48Å; I297-F300 PolarHBondContact O-N 3.32Å; I297-F300 VanDerWaalsContact O-N 3.17Å; I297-L301 HydrophobicContact CG2-CD1 3.84Å; I297-L301 HydrophobicContact CG2-CG 3.93Å; I297-L301 WeakPolarHBondContact O-CB 3.45Å; I297-L301 VanDerWaalsContact O-CG 3.28Å; I297-L301 WeakPolarHBondContact O-CG 3.22Å; I297-L301 PolarHBondContact O-N 2.66Å; I297-L329 HydrophobicContact CD1-CD1 4.07Å; I297-L329 HydrophobicContact CG2-CD1 3.72Å
298	T	83.9	Confident	74.3	Confident	1 Å²	1	61.2 Å²	61.2	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-57.9	-42.7	179.9	-59.3	0	0	0	0	112	A217 F218 L283 Y286 A296 F300 L301 L302	A217-T298 VanDerWaalsContact O-CB 3.22Å; A217-T298 WeakPolarHBondContact O-CB 3.1Å; A217-T298 PolarHBondContact O-N 2.84Å; A217-T298 PolarHBondContact O-OG1 3.25Å; F218-T298 WeakPolarHBondContact CD1-OG1 3.38Å; L283-T298 HydrophobicContact CD2-CG2 3.44Å; L283-T298 VanDerWaalsContact CD2-CG2 3.44Å; Y286-T298 HydrophobicContact CD1-CG2 3.8Å; Y286-T298 HydrophobicContact CE1-CG2 4.08Å; Y286-T298 HydrophobicContact CG-CG2 4.11Å; A296-T298 VanDerWaalsContact C-N 3.26Å; A296-T298 PolarHBondContact O-N 2.75Å; T298-F300 PolarHBondContact O-N 3.47Å; T298-L301 PolarHBondContact O-N 3.33Å; T298-L302 HydrophobicContact CG2-CD1 4.06Å; T298-L302 HydrophobicContact CG2-CG 4.46Å; T298-L302 VanDerWaalsContact O-CG 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.3Å; T298-L302 PolarHBondContact O-N 3.1Å
299	G	82.8	Confident	73.5	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-45.2	177	0	0	0	0	0	112.2	Y286 A296 I297 L301 L302 Q303	Y286-G299 WeakPolarHBondContact OH-CA 3.26Å; Y286-G299 PolarHBondContact OH-N 2.66Å; A296-G299 PolarHBondContact O-N 3.07Å; A296-G299 VanDerWaalsContact O-N 3.1Å; I297-G299 VanDerWaalsContact C-N 3.31Å; I297-G299 PolarHBondContact O-N 3.48Å; G299-L301 PolarHBondContact O-N 3.07Å; G299-L302 PolarHBondContact O-N 3.12Å; G299-Q303 WeakPolarHBondContact O-CG 3.15Å; G299-Q303 PolarHBondContact O-N 3.33Å
300	F	82.9	Confident	72.7	Confident	51 Å²	51	62.2 Å²	62.2	22%	0.224	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-40.8	177	-170.8	-84.3	0	0	0	112.6	L163 A167 A296 I297 T298 Q303 G304	L163-F300 HydrophobicContact CD1-CD1 4.22Å; L163-F300 HydrophobicContact CD1-CE1 3.94Å; A167-F300 HydrophobicContact CB-CB 4.02Å; A167-F300 HydrophobicContact CB-CD1 3.36Å; A167-F300 HydrophobicContact CB-CE1 4.06Å; A167-F300 HydrophobicContact CB-CG 3.91Å; A296-F300 PolarHBondContact O-N 2.8Å; I297-F300 PolarHBondContact O-N 3.32Å; I297-F300 VanDerWaalsContact O-N 3.17Å; T298-F300 PolarHBondContact O-N 3.47Å; F300-Q303 PolarHBondContact O-N 2.89Å; F300-G304 PolarHBondContact O-N 2.74Å
301	L	85.8	Confident	72.7	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-61.6	-45.3	177.4	-72	-176.1	0	0	0	111.5	L163 V164 A167 I297 T298 G299 G304 L305 V322 A325	L163-L301 HydrophobicContact CD2-CD2 4.12Å; L163-L301 HydrophobicContact CG-CD2 3.75Å; V164-L301 HydrophobicContact CB-CD2 4.32Å; V164-L301 HydrophobicContact CG2-CD2 3.88Å; A167-L301 HydrophobicContact CB-CD2 4.12Å; A167-L301 HydrophobicContact CB-CG 4.44Å; I297-L301 HydrophobicContact CG2-CD1 3.84Å; I297-L301 HydrophobicContact CG2-CG 3.93Å; I297-L301 WeakPolarHBondContact O-CB 3.45Å; I297-L301 VanDerWaalsContact O-CG 3.28Å; I297-L301 WeakPolarHBondContact O-CG 3.22Å; I297-L301 PolarHBondContact O-N 2.66Å; T298-L301 PolarHBondContact O-N 3.33Å; G299-L301 PolarHBondContact O-N 3.07Å; L301-G304 PolarHBondContact O-N 2.86Å; L301-L305 PolarHBondContact O-N 2.92Å; L301-V322 HydrophobicContact CB-CG1 3.95Å; L301-V322 HydrophobicContact CB-CG2 3.93Å; L301-V322 HydrophobicContact CD1-CG1 4.14Å; L301-A325 HydrophobicContact CD1-CB 3.91Å
302	L	84.1	Confident	72.3	Confident	12 Å²	12	58.3 Å²	58.3	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-64.3	-46.3	177.8	-69	174	0	0	0	111.9	Y286 K287 T298 G299 G304 L305 D306 V322	Y286-L302 HydrophobicContact CD1-CD1 3.97Å; Y286-L302 HydrophobicContact CE1-CD1 4.22Å; K287-L302 HydrophobicContact CG-CD1 3.76Å; T298-L302 HydrophobicContact CG2-CD1 4.06Å; T298-L302 HydrophobicContact CG2-CG 4.46Å; T298-L302 VanDerWaalsContact O-CG 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.3Å; T298-L302 PolarHBondContact O-N 3.1Å; G299-L302 PolarHBondContact O-N 3.12Å; L302-G304 VanDerWaalsContact C-N 3.26Å; L302-G304 PolarHBondContact O-N 2.87Å; L302-L305 HydrophobicContact CD2-CD1 4.48Å; L302-L305 WeakPolarHBondContact O-CB 3.38Å; L302-L305 PolarHBondContact O-N 3.25Å; L302-L305 VanDerWaalsContact O-N 3.12Å; L302-D306 PolarHBondContact O-N 2.78Å; L302-D306 VanDerWaalsContact O-N 3.13Å; L302-V322 HydrophobicContact CD2-CG1 4.11Å; L302-V322 HydrophobicContact CG-CG1 4.44Å
303	Q	81.1	Confident	71.7	Confident	46 Å²	46	58.6 Å²	58.6	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-36.1	174.9	-70.1	179.8	14.5	0	0	112.6	G299 F300 L305 D306 K307	G299-Q303 WeakPolarHBondContact O-CG 3.15Å; G299-Q303 PolarHBondContact O-N 3.33Å; F300-Q303 PolarHBondContact O-N 2.89Å; Q303-L305 VanDerWaalsContact C-N 3.34Å; Q303-D306 PolarHBondContact O-N 3.3Å; Q303-K307 WeakPolarHBondContact O-CG 3.42Å; Q303-K307 PolarHBondContact O-N 2.9Å; Q303-K307 VanDerWaalsContact O-N 3.16Å
304	G	78.3	Confident	70.8	Confident	10 Å²	10	58.8 Å²	58.8	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-36	175.7	0	0	0	0	0	112.8	F300 L301 L302 H308	F300-G304 PolarHBondContact O-N 2.74Å; L301-G304 PolarHBondContact O-N 2.86Å; L302-G304 VanDerWaalsContact C-N 3.26Å; L302-G304 PolarHBondContact O-N 2.87Å; G304-H308 WeakPolarHBondContact O-CB 3.47Å; G304-H308 PolarHBondContact O-CD2 3.28Å; G304-H308 PolarHBondContact O-N 3.3Å; G304-H308 VanDerWaalsContact O-N 3.1Å
305	L	79.3	Confident	70.6	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.016	32%	0.321	C	S	.	.	H	α-helix	trans	-62.5	-48.9	171.8	-71.7	-173.2	0	0	0	111.5	L301 L302 Q303 K307 H308 Q309 L317 V322	L301-L305 PolarHBondContact O-N 2.92Å; L302-L305 HydrophobicContact CD2-CD1 4.48Å; L302-L305 WeakPolarHBondContact O-CB 3.38Å; L302-L305 PolarHBondContact O-N 3.25Å; L302-L305 VanDerWaalsContact O-N 3.12Å; Q303-L305 VanDerWaalsContact C-N 3.34Å; L305-K307 VanDerWaalsContact C-N 3.28Å; L305-K307 PolarHBondContact O-N 2.9Å; L305-H308 PolarHBondContact O-N 2.9Å; L305-Q309 WeakPolarHBondContact O-CG 3.25Å; L305-Q309 PolarHBondContact O-N 3.33Å; L305-L317 HydrophobicContact CD2-CB 3.31Å; L305-V322 HydrophobicContact CD1-CB 4.3Å; L305-V322 HydrophobicContact CD1-CG2 3.3Å; L305-V322 HydrophobicContact CD2-CG2 4.1Å; L305-V322 HydrophobicContact CG-CG2 3.61Å
306	D	75.7	Confident	70.7	Confident	97 Å²	97	60.4 Å²	60.4	52%	0.519	33%	0.332	S	S	.	.	H	α-helix	trans	-61.1	-38.8	-177.3	-63.3	-21.5	0	0	0	111.8	L302 Q303 Q309 S310	L302-D306 PolarHBondContact O-N 2.78Å; L302-D306 VanDerWaalsContact O-N 3.13Å; Q303-D306 PolarHBondContact O-N 3.3Å; D306-Q309 PolarHBondContact O-N 3.14Å; D306-S310 PolarHBondContact O-N 3.42Å; D306-S310 PolarHBondContact O-OG 3.13Å
307	K	71.2	Confident	70.8	Confident	142 Å²	142	60.5 Å²	60.5	62%	0.617	33%	0.332	S	S	*	.	H	α-helix	trans	-68	-35.5	174.5	-71.6	177.3	-176.4	176.1	0	112.9	Q303 L305 S310	Q303-K307 WeakPolarHBondContact O-CG 3.42Å; Q303-K307 PolarHBondContact O-N 2.9Å; Q303-K307 VanDerWaalsContact O-N 3.16Å; L305-K307 VanDerWaalsContact C-N 3.28Å; L305-K307 PolarHBondContact O-N 2.9Å; K307-S310 WeakPolarHBondContact CA-OG 3.06Å; K307-S310 PolarHBondContact O-OG 3.46Å
308	H	66.8	Low	71.1	Confident	71 Å²	71	63 Å²	63	33%	0.329	35%	0.347	S	S	.	.	H	α-helix	trans	-72.2	-34.1	176.3	-101.1	-77.9	0	0	0	112.6	G304 L305 S310 T311	G304-H308 WeakPolarHBondContact O-CB 3.47Å; G304-H308 PolarHBondContact O-CD2 3.28Å; G304-H308 PolarHBondContact O-N 3.3Å; G304-H308 VanDerWaalsContact O-N 3.1Å; L305-H308 PolarHBondContact O-N 2.9Å; H308-S310 VanDerWaalsContact C-N 3.27Å; H308-S310 PolarHBondContact O-N 3.29Å; H308-T311 PolarHBondContact O-OG1 3.3Å
309	Q	62.2	Low	71.3	Confident	108 Å²	108	67.2 Å²	67.2	51%	0.505	37%	0.37	S	S	.	.	H	α-helix	trans	-71.4	-21.5	176.8	-71.3	177	13.5	0	0	113.1	L305 D306 L316	L305-Q309 WeakPolarHBondContact O-CG 3.25Å; L305-Q309 PolarHBondContact O-N 3.33Å; D306-Q309 PolarHBondContact O-N 3.14Å; Q309-L316 HydrophobicContact CG-CD2 4.2Å
310	S	56.4	Low	71.8	Confident	96 Å²	96	69.9 Å²	69.9	67%	0.671	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.3	-179.5	42.7	0	0	0	0	114.4	D306 K307 H308	D306-S310 PolarHBondContact O-N 3.42Å; D306-S310 PolarHBondContact O-OG 3.13Å; K307-S310 WeakPolarHBondContact CA-OG 3.06Å; K307-S310 PolarHBondContact O-OG 3.46Å; H308-S310 VanDerWaalsContact C-N 3.27Å; H308-S310 PolarHBondContact O-N 3.29Å
311	T	55.4	Low	72.3	Confident	70 Å²	70	67.6 Å²	67.6	43%	0.429	38%	0.376	S	S	.	.	S	Bend	trans	-95.2	133.5	174	47.4	0	0	0	0	111.6	H308 S313	H308-T311 PolarHBondContact O-OG1 3.3Å; T311-S313 PolarHBondContact O-N 2.69Å; T311-S313 PolarHBondContact OG1-OG 2.92Å
312	E	50.9	Low	72.5	Confident	207 Å²	207	67.6 Å²	67.6	97%	0.967	38%	0.376	S	S	*	.	S	Bend	trans	-60.7	-4.6	178.8	-70.2	-176.1	157.6	0	0	114.9	G314	E312-G314 PolarHBondContact O-N 2.78Å
313	S	50.9	Low	73	Confident	76 Å²	76	67.6 Å²	67.6	53%	0.531	38%	0.376	S	S	.	.	S	Bend	trans	-75.9	97.7	172.3	46.1	0	0	0	0	110.9	T311 E315	T311-S313 PolarHBondContact O-N 2.69Å; T311-S313 PolarHBondContact OG1-OG 2.92Å; S313-E315 VanDerWaalsContact C-N 3.26Å; S313-E315 PolarHBondContact O-N 2.78Å
314	G	46.8	Very low	73.6	Confident	71 Å²	71	65.5 Å²	65.5	73%	0.732	37%	0.366	S	S	*	.			trans	-65.6	47.9	-171.8	0	0	0	0	0	118.9	E312	E312-G314 PolarHBondContact O-N 2.78Å
315	E	57.4	Low	74.4	Confident	91 Å²	91	65.1 Å²	65.1	43%	0.425	36%	0.362	S	S	.	.			trans	-115.2	93.3	169	-65.4	-164.6	149.7	0	0	111.1	E155 S313 L317	E155-E315 VanDerWaalsContact CB-OE1 3.31Å; E155-E315 WeakPolarHBondContact CB-OE1 2.99Å; E155-E315 WeakPolarHBondContact CB-OE2 3.43Å; S313-E315 VanDerWaalsContact C-N 3.26Å; S313-E315 PolarHBondContact O-N 2.78Å; E315-L317 PolarHBondContact O-N 3.29Å
316	L	67.7	Low	75	Confident	115 Å²	115	65 Å²	65	60%	0.602	36%	0.361	S	S	*	.			trans	-80.6	98.3	-171.7	-76.5	136.9	0	0	0	111.7	Q309	Q309-L316 HydrophobicContact CG-CD2 4.2Å
317	L	84.1	Confident	75.8	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.016	34%	0.337	C	S	.	.			trans	-61.9	140.4	153	-63	-179.9	0	0	0	108.5	A159 H160 L163 L305 E315	A159-L317 HydrophobicContact CB-CD1 4.45Å; A159-L317 HydrophobicContact CB-CD2 4.43Å; H160-L317 HydrophobicContact CB-CD2 3.77Å; L163-L317 HydrophobicContact CB-CD1 4.41Å; L163-L317 HydrophobicContact CD2-CD1 3.74Å; L305-L317 HydrophobicContact CD2-CB 3.31Å; E315-L317 PolarHBondContact O-N 3.29Å
318	T	89.1	Confident	76.9	Confident	51 Å²	51	54.9 Å²	54.9	31%	0.313	31%	0.314	S	S	.	.			trans	-123.6	169.4	-172.6	64.2	0	0	0	0	111.1	V320 H321 V322	T318-V320 PolarHBondContact O-N 2.86Å; T318-V320 VanDerWaalsContact O-N 3.08Å; T318-V320 PolarHBondContact OG1-N 3.3Å; T318-H321 PolarHBondContact N-ND1 3.37Å; T318-H321 VanDerWaalsContact O-CB 3.28Å; T318-H321 WeakPolarHBondContact O-CB 3.25Å; T318-H321 PolarHBondContact O-N 3.11Å; T318-H321 PolarHBondContact OG1-ND1 2.81Å; T318-V322 PolarHBondContact O-N 2.96Å
319	D	89.3	Confident	78.1	Confident	90 Å²	90	52.2 Å²	52.2	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-54	-28.8	171.9	-82.3	-39.2	0	0	0	113	K287 H321 V322 H323	K287-D319 IonicContact NZ-OD1 2.75Å; K287-D319 PolarHBondContact NZ-OD1 2.83Å; K287-D319 IonicContact NZ-OD2 3.39Å; K287-D319 PolarHBondContact NZ-OD2 2.82Å; D319-H321 VanDerWaalsContact C-N 3.27Å; D319-H321 PolarHBondContact O-N 2.92Å; D319-V322 PolarHBondContact O-N 2.98Å; D319-H323 WeakPolarHBondContact O-CB 3.47Å; D319-H323 PolarHBondContact O-N 3.28Å
320	V	91.9	Very high	79.5	Confident	57 Å²	57	47.2 Å²	47.2	35%	0.345	28%	0.279	S	S	.	.	H	α-helix	trans	-63.5	-35.1	175.5	-177.4	0	0	0	0	111.3	R146 T318 M324	R146-V320 HydrophobicContact CB-CG1 4.19Å; T318-V320 PolarHBondContact O-N 2.86Å; T318-V320 VanDerWaalsContact O-N 3.08Å; T318-V320 PolarHBondContact OG1-N 3.3Å; V320-M324 HydrophobicContact CG1-CG 4.2Å; V320-M324 WeakPolarHBondContact O-CB 3.38Å; V320-M324 VanDerWaalsContact O-CG 3.29Å; V320-M324 WeakPolarHBondContact O-CG 3.31Å; V320-M324 PolarHBondContact O-N 3.39Å
321	H	93.1	Very high	81.1	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-46.9	177.3	-68.2	87.2	0	0	0	111	E156 H160 T318 D319 H323 M324 A325	E156-H321 IonicContact OE1-CE1 3.03Å; E156-H321 PolarHBondContact OE1-CE1 2.92Å; E156-H321 IonicContact OE1-NE2 2.99Å; E156-H321 PolarHBondContact OE1-NE2 3.45Å; H160-H321 AromaticContact CE1-CD2 3.98Å; H160-H321 PolarHBondContact CE1-O 3.01Å; H160-H321 VanDerWaalsContact CE1-O 3.23Å; H160-H321 AromaticContact CG-CD2 3.75Å; H160-H321 AromaticContact ND1-CD2 3.5Å; H160-H321 PolarHBondContact ND1-CD2 2.84Å; H160-H321 PolarHBondContact NE2-O 2.98Å; T318-H321 PolarHBondContact N-ND1 3.37Å; T318-H321 VanDerWaalsContact O-CB 3.28Å; T318-H321 WeakPolarHBondContact O-CB 3.25Å; T318-H321 PolarHBondContact O-N 3.11Å; T318-H321 PolarHBondContact OG1-ND1 2.81Å; D319-H321 VanDerWaalsContact C-N 3.27Å; D319-H321 PolarHBondContact O-N 2.92Å; H321-H323 VanDerWaalsContact C-N 3.33Å; H321-H323 PolarHBondContact O-N 3.42Å; H321-M324 PolarHBondContact O-N 2.89Å; H321-A325 WeakPolarHBondContact O-CB 3.43Å; H321-A325 PolarHBondContact O-N 2.76Å
322	V	91.8	Very high	82.8	Confident	2 Å²	2	43 Å²	43	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-41.8	177.7	175.9	0	0	0	0	111.3	L283 L301 L302 L305 T318 D319 T326	L283-V322 HydrophobicContact CD2-CG1 4.21Å; L301-V322 HydrophobicContact CB-CG1 3.95Å; L301-V322 HydrophobicContact CB-CG2 3.93Å; L301-V322 HydrophobicContact CD1-CG1 4.14Å; L302-V322 HydrophobicContact CD2-CG1 4.11Å; L302-V322 HydrophobicContact CG-CG1 4.44Å; L305-V322 HydrophobicContact CD1-CB 4.3Å; L305-V322 HydrophobicContact CD1-CG2 3.3Å; L305-V322 HydrophobicContact CD2-CG2 4.1Å; L305-V322 HydrophobicContact CG-CG2 3.61Å; T318-V322 PolarHBondContact O-N 2.96Å; D319-V322 PolarHBondContact O-N 2.98Å; V322-T326 WeakPolarHBondContact O-CB 3.14Å; V322-T326 PolarHBondContact O-N 3.35Å; V322-T326 PolarHBondContact O-OG1 2.85Å
323	H	93.1	Very high	84.7	Confident	12 Å²	12	33.9 Å²	33.9	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-55.9	-51.8	171.8	-174	109.3	0	0	0	112	D276 I279 L283 D319 H321 T326 V327	D276-H323 PolarHBondContact O-CE1 3.04Å; D276-H323 IonicContact OD1-NE2 2.67Å; D276-H323 PolarHBondContact OD1-NE2 3.35Å; I279-H323 VanDerWaalsContact CB-CE1 3.46Å; I279-H323 WeakPolarHBondContact CB-CE1 3.49Å; I279-H323 VanDerWaalsContact CG2-CE1 3.48Å; I279-H323 WeakPolarHBondContact CG2-CE1 3.32Å; L283-H323 HydrophobicContact CD1-CB 4Å; D319-H323 WeakPolarHBondContact O-CB 3.47Å; D319-H323 PolarHBondContact O-N 3.28Å; H321-H323 VanDerWaalsContact C-N 3.33Å; H321-H323 PolarHBondContact O-N 3.42Å; H323-T326 VanDerWaalsContact O-CB 3.28Å; H323-T326 WeakPolarHBondContact O-CB 3.04Å; H323-T326 PolarHBondContact O-N 3.46Å; H323-V327 PolarHBondContact O-N 3.32Å; H323-V327 VanDerWaalsContact O-N 3.08Å
324	M	94.9	Very high	86.6	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-74.6	-28.8	-175.7	-69.8	-49.5	-45.8	0	0	113.5	N147 V320 H321 T326 V327 D328	N147-M324 HydrophobicContact CB-CB 3.77Å; N147-M324 HydrophobicContact CB-CE 3.96Å; V320-M324 HydrophobicContact CG1-CG 4.2Å; V320-M324 WeakPolarHBondContact O-CB 3.38Å; V320-M324 VanDerWaalsContact O-CG 3.29Å; V320-M324 WeakPolarHBondContact O-CG 3.31Å; V320-M324 PolarHBondContact O-N 3.39Å; H321-M324 PolarHBondContact O-N 2.89Å; M324-T326 VanDerWaalsContact C-N 3.3Å; M324-V327 HydrophobicContact CE-CB 4.01Å; M324-V327 HydrophobicContact CE-CG1 4.03Å; M324-V327 HydrophobicContact CE-CG2 4.32Å; M324-V327 PolarHBondContact O-N 3.45Å; M324-D328 PolarHBondContact O-N 2.84Å
325	A	94	Very high	88.7	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.008	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-43	167.4	0	0	0	0	0	111.2	V164 L301 H321 D328 L329	V164-A325 HydrophobicContact CG1-CB 4.36Å; V164-A325 HydrophobicContact CG2-CB 3.58Å; L301-A325 HydrophobicContact CD1-CB 3.91Å; H321-A325 WeakPolarHBondContact O-CB 3.43Å; H321-A325 PolarHBondContact O-N 2.76Å; A325-D328 PolarHBondContact O-N 2.73Å; A325-L329 WeakPolarHBondContact O-CB 3.46Å; A325-L329 VanDerWaalsContact O-CG 3.23Å; A325-L329 WeakPolarHBondContact O-CG 3.39Å; A325-L329 PolarHBondContact O-N 2.9Å
326	T	92.2	Very high	90.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-45.2	178.4	-58.7	0	0	0	0	111.1	F218 I279 V322 H323 M324 L329 L330	F218-T326 HydrophobicContact CE1-CG2 3.4Å; F218-T326 HydrophobicContact CE2-CG2 4.35Å; F218-T326 HydrophobicContact CZ-CG2 3.15Å; I279-T326 HydrophobicContact CD1-CG2 4.3Å; I279-T326 HydrophobicContact CG2-CG2 4.03Å; V322-T326 WeakPolarHBondContact O-CB 3.14Å; V322-T326 PolarHBondContact O-N 3.35Å; V322-T326 PolarHBondContact O-OG1 2.85Å; H323-T326 VanDerWaalsContact O-CB 3.28Å; H323-T326 WeakPolarHBondContact O-CB 3.04Å; H323-T326 PolarHBondContact O-N 3.46Å; M324-T326 VanDerWaalsContact C-N 3.3Å; T326-L329 PolarHBondContact O-N 3.11Å; T326-L330 HydrophobicContact CG2-CD1 4.14Å; T326-L330 WeakPolarHBondContact O-CG 3.4Å; T326-L330 PolarHBondContact O-N 3.39Å
327	V	93.1	Very high	91.8	Very high	1 Å²	1	20 Å²	20	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-48	174	172	0	0	0	0	111.5	R275 I279 H323 M324 L329 L330 I331	R275-V327 HydrophobicContact CG-CG2 4.32Å; I279-V327 HydrophobicContact CG1-CG2 4.02Å; H323-V327 PolarHBondContact O-N 3.32Å; H323-V327 VanDerWaalsContact O-N 3.08Å; M324-V327 HydrophobicContact CE-CB 4.01Å; M324-V327 HydrophobicContact CE-CG1 4.03Å; M324-V327 HydrophobicContact CE-CG2 4.32Å; M324-V327 PolarHBondContact O-N 3.45Å; V327-L329 VanDerWaalsContact C-N 3.34Å; V327-L329 PolarHBondContact O-N 3Å; V327-L330 PolarHBondContact O-N 2.95Å; V327-I331 HydrophobicContact CG1-CD1 3.7Å; V327-I331 HydrophobicContact CG1-CG1 4.4Å; V327-I331 WeakPolarHBondContact O-CG1 3.36Å; V327-I331 PolarHBondContact O-N 2.83Å
328	D	93.2	Very high	92.4	Very high	26 Å²	26	20 Å²	20	14%	0.139	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-39.7	179.5	-89.3	-6	0	0	0	112.3	N147 I148 S149 M324 A325 G332	N147-D328 WeakPolarHBondContact CB-OD2 3.28Å; N147-D328 PolarHBondContact ND2-OD1 2.91Å; I148-D328 VanDerWaalsContact CA-OD2 3.3Å; I148-D328 WeakPolarHBondContact CA-OD2 3.14Å; I148-D328 WeakPolarHBondContact CB-OD2 3.46Å; I148-D328 PolarHBondContact N-OD2 3.4Å; S149-D328 PolarHBondContact N-OD2 3.49Å; S149-D328 PolarHBondContact OG-OD1 3.44Å; S149-D328 PolarHBondContact OG-OD2 2.92Å; M324-D328 PolarHBondContact O-N 2.84Å; A325-D328 PolarHBondContact O-N 2.73Å; D328-G332 PolarHBondContact O-N 3.43Å
329	L	93	Very high	92.7	Very high	15 Å²	15	18 Å²	18	8%	0.079	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-46.7	176.8	-72.7	168.6	0	0	0	110.9	V164 L168 I213 I297 A325 T326 V327 G332 G333 L468	V164-L329 HydrophobicContact CG1-CD1 4.22Å; V164-L329 HydrophobicContact CG1-CD2 4.38Å; V164-L329 HydrophobicContact CG1-CG 4.46Å; L168-L329 HydrophobicContact CD1-CD2 4.4Å; I213-L329 HydrophobicContact CD1-CB 4.17Å; I213-L329 HydrophobicContact CD1-CD2 4.37Å; I213-L329 HydrophobicContact CG1-CB 4.22Å; I213-L329 WeakPolarHBondContact CG1-O 3.28Å; I297-L329 HydrophobicContact CD1-CD1 4.07Å; I297-L329 HydrophobicContact CG2-CD1 3.72Å; A325-L329 WeakPolarHBondContact O-CB 3.46Å; A325-L329 VanDerWaalsContact O-CG 3.23Å; A325-L329 WeakPolarHBondContact O-CG 3.39Å; A325-L329 PolarHBondContact O-N 2.9Å; T326-L329 PolarHBondContact O-N 3.11Å; V327-L329 VanDerWaalsContact C-N 3.34Å; V327-L329 PolarHBondContact O-N 3Å; L329-G332 PolarHBondContact O-N 3.25Å; L329-G333 WeakPolarHBondContact O-CA 3.42Å; L329-G333 PolarHBondContact O-N 3.18Å; L329-L468 HydrophobicContact CD2-CD2 4.41Å
330	L	91.3	Very high	93.1	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-63.9	-49.2	179.3	-70.7	165.9	0	0	0	112.5	I213 T214 F218 L232 L236 I279 T326 V327 G332 T334	I213-L330 HydrophobicContact CG2-CD2 4.26Å; T214-L330 HydrophobicContact CG2-CD2 3.73Å; F218-L330 HydrophobicContact CE2-CD1 4.18Å; F218-L330 HydrophobicContact CE2-CD2 4.07Å; F218-L330 HydrophobicContact CE2-CG 4.48Å; F218-L330 HydrophobicContact CZ-CD1 4.15Å; L232-L330 HydrophobicContact CD2-CD1 4.08Å; L236-L330 HydrophobicContact CD1-CB 3.99Å; I279-L330 HydrophobicContact CD1-CD1 3.5Å; T326-L330 HydrophobicContact CG2-CD1 4.14Å; T326-L330 WeakPolarHBondContact O-CG 3.4Å; T326-L330 PolarHBondContact O-N 3.39Å; V327-L330 PolarHBondContact O-N 2.95Å; L330-G332 PolarHBondContact O-N 3.36Å; L330-T334 VanDerWaalsContact O-CB 3.32Å; L330-T334 WeakPolarHBondContact O-CB 3.31Å; L330-T334 PolarHBondContact O-N 3.02Å; L330-T334 VanDerWaalsContact O-N 3.14Å; L330-T334 PolarHBondContact O-OG1 3.26Å; L330-T334 VanDerWaalsContact O-OG1 3.12Å
331	I	89.2	Confident	93.4	Very high	44 Å²	44	11.3 Å²	11.3	23%	0.226	7%	0.074	C	C	.	.	H	α-helix	trans	-62.5	-46.3	178.5	-64.7	172.8	0	0	0	110.3	L236 V240 V327	L236-I331 HydrophobicContact CB-CG1 4.32Å; L236-I331 HydrophobicContact CD1-CG1 4.07Å; L236-I331 HydrophobicContact CD2-CD1 3.98Å; L236-I331 HydrophobicContact CD2-CG1 3.79Å; L236-I331 HydrophobicContact CG-CG1 4.28Å; V240-I331 HydrophobicContact CG2-CG2 4.16Å; V327-I331 HydrophobicContact CG1-CD1 3.7Å; V327-I331 HydrophobicContact CG1-CG1 4.4Å; V327-I331 WeakPolarHBondContact O-CG1 3.36Å; V327-I331 PolarHBondContact O-N 2.83Å
332	G	91.6	Very high	93.6	Very high	35 Å²	35	11.5 Å²	11.5	36%	0.361	8%	0.076	S	C	.	.	H	α-helix	trans	-69.4	-42.8	-176.5	0	0	0	0	0	113.4	D328 L329 L330 T336	D328-G332 PolarHBondContact O-N 3.43Å; L329-G332 PolarHBondContact O-N 3.25Å; L330-G332 PolarHBondContact O-N 3.36Å; G332-T336 WeakPolarHBondContact O-CG2 3.42Å; G332-T336 PolarHBondContact O-OG1 3.39Å
333	G	91.1	Very high	94	Very high	14 Å²	14	11.5 Å²	11.5	14%	0.144	8%	0.075	C	C	.	.	H	α-helix	trans	-77.1	-34.2	-175.3	0	0	0	0	0	114	L329	L329-G333 WeakPolarHBondContact O-CA 3.42Å; L329-G333 PolarHBondContact O-N 3.18Å
334	T	91.9	Very high	94.2	Very high	3 Å²	3	11.1 Å²	11.1	2%	0.018	7%	0.074	C	C	.	.	H	α-helix	trans	-80.9	-63.5	-177.1	-59.8	0	0	0	0	112.1	T206 A209 S210 L330 T336 A338	T206-T334 HydrophobicContact CG2-CG2 3.69Å; A209-T334 WeakPolarHBondContact CB-O 3.49Å; S210-T334 WeakPolarHBondContact CA-OG1 3.44Å; S210-T334 WeakPolarHBondContact CB-OG1 3.43Å; L330-T334 VanDerWaalsContact O-CB 3.32Å; L330-T334 WeakPolarHBondContact O-CB 3.31Å; L330-T334 PolarHBondContact O-N 3.02Å; L330-T334 VanDerWaalsContact O-N 3.14Å; L330-T334 PolarHBondContact O-OG1 3.26Å; L330-T334 VanDerWaalsContact O-OG1 3.12Å; T334-T336 PolarHBondContact O-N 3.45Å; T334-A338 VanDerWaalsContact O-CB 3.3Å; T334-A338 WeakPolarHBondContact O-CB 3.16Å; T334-A338 PolarHBondContact O-N 2.93Å
335	E	89.7	Confident	94.4	Very high	15 Å²	15	11.2 Å²	11.2	7%	0.07	8%	0.075	C	C	.	.	H	α-helix	trans	-70.6	-32.8	-164.4	-67.9	-64.3	145.9	0	0	112.8	N237 A339 V509 K511	N237-E335 VanDerWaalsContact CG-OE1 3.31Å; N237-E335 PolarHBondContact ND2-OE1 3.27Å; N237-E335 PolarHBondContact OD1-OE1 3.33Å; N237-E335 VanDerWaalsContact OD1-OE1 3.12Å; N237-E335 PolarHBondContact OD1-OE2 3.01Å; E335-A339 WeakPolarHBondContact O-CB 3.5Å; E335-A339 PolarHBondContact O-N 3.29Å; E335-V509 HydrophobicContact CB-CG2 4.38Å; E335-K511 WeakPolarHBondContact OE2-CE 3.37Å; E335-K511 IonicContact OE2-NZ 2.72Å; E335-K511 PolarHBondContact OE2-NZ 3Å
336	T	94.4	Very high	94.6	Very high	41 Å²	41	11.1 Å²	11.1	25%	0.252	7%	0.074	S	C	.	.	H	α-helix	trans	-73.4	-47.8	-175.7	67.3	0	0	0	0	112	G332 T334 W340 V395 V509	G332-T336 WeakPolarHBondContact O-CG2 3.42Å; G332-T336 PolarHBondContact O-OG1 3.39Å; T334-T336 PolarHBondContact O-N 3.45Å; T336-W340 WeakPolarHBondContact O-CB 3.19Å; T336-W340 PolarHBondContact O-N 2.87Å; T336-V395 HydrophobicContact CG2-CG2 4.35Å; T336-V395 WeakPolarHBondContact O-CG1 3.37Å; T336-V509 HydrophobicContact CG2-CG2 4.49Å
337	A	96.1	Very high	94.9	Very high	2 Å²	2	11.4 Å²	11.4	2%	0.017	8%	0.075	C	C	.	.	H	α-helix	trans	-66.5	-42.7	178.4	0	0	0	0	0	111.2	A209 W340 L341 L477	A209-A337 HydrophobicContact CB-CB 3.96Å; A337-W340 PolarHBondContact O-N 3.26Å; A337-L341 WeakPolarHBondContact O-CG 3.36Å; A337-L341 PolarHBondContact O-N 3.37Å; A337-L477 HydrophobicContact CB-CD2 4.32Å
338	A	95.8	Very high	95.1	Very high	5 Å²	5	11.4 Å²	11.4	4%	0.041	8%	0.075	C	C	.	.	H	α-helix	trans	-61.8	-47.1	177.1	0	0	0	0	0	112.4	F205 A209 T334 W340 L341 N342	F205-A338 HydrophobicContact CB-CB 4.15Å; A209-A338 HydrophobicContact CB-CB 4.29Å; T334-A338 VanDerWaalsContact O-CB 3.3Å; T334-A338 WeakPolarHBondContact O-CB 3.16Å; T334-A338 PolarHBondContact O-N 2.93Å; A338-W340 VanDerWaalsContact C-N 3.29Å; A338-W340 PolarHBondContact O-N 3.49Å; A338-L341 PolarHBondContact O-N 3.37Å; A338-N342 WeakPolarHBondContact O-CB 3.43Å; A338-N342 PolarHBondContact O-N 3.22Å
339	A	96.2	Very high	95.3	Very high	9 Å²	9	10.7 Å²	10.7	7%	0.074	7%	0.071	C	C	.	.	H	α-helix	trans	-60.6	-40.9	176.5	0	0	0	0	0	111.6	E335 N342 W343 V509 K511	E335-A339 WeakPolarHBondContact O-CB 3.5Å; E335-A339 PolarHBondContact O-N 3.29Å; A339-N342 PolarHBondContact O-N 3.19Å; A339-W343 PolarHBondContact O-N 3.09Å; A339-V509 HydrophobicContact CB-CG1 3.79Å; A339-K511 HydrophobicContact CB-CG 4.37Å
340	W	98	Very high	95.5	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-65.1	-44	178.3	-172.5	96	0	0	0	112.6	T336 A337 A338 N342 W343 T344 I386 M389 V395 L477 T481	T336-W340 WeakPolarHBondContact O-CB 3.19Å; T336-W340 PolarHBondContact O-N 2.87Å; A337-W340 PolarHBondContact O-N 3.26Å; A338-W340 VanDerWaalsContact C-N 3.29Å; A338-W340 PolarHBondContact O-N 3.49Å; W340-N342 VanDerWaalsContact C-N 3.3Å; W340-N342 PolarHBondContact O-N 2.63Å; W340-W343 PolarHBondContact O-N 3.05Å; W340-T344 VanDerWaalsContact CE3-OG1 3.26Å; W340-T344 HydrophobicContact CH2-CG2 4.27Å; W340-T344 WeakPolarHBondContact CH2-OG1 3.39Å; W340-T344 HydrophobicContact CZ3-CG2 4.2Å; W340-T344 WeakPolarHBondContact CZ3-OG1 3.2Å; W340-T344 WeakPolarHBondContact O-CB 3.21Å; W340-T344 PolarHBondContact O-N 3.01Å; W340-T344 PolarHBondContact O-OG1 2.86Å; W340-I386 HydrophobicContact CH2-CB 4.36Å; W340-I386 HydrophobicContact CH2-CG1 3.93Å; W340-I386 HydrophobicContact CH2-CG2 4.32Å; W340-I386 HydrophobicContact CZ2-CB 4.2Å; W340-I386 HydrophobicContact CZ2-CG1 4.28Å; W340-I386 HydrophobicContact CZ2-CG2 3.94Å; W340-M389 HydrophobicContact CH2-CB 4.42Å; W340-M389 HydrophobicContact CZ2-CB 3.51Å; W340-M389 HydrophobicContact CZ2-CG 4.26Å; W340-V395 HydrophobicContact CB-CG1 3.91Å; W340-L477 HydrophobicContact CB-CD2 4.04Å; W340-L477 HydrophobicContact CD2-CD1 3.77Å; W340-L477 HydrophobicContact CD2-CD2 3.66Å; W340-L477 HydrophobicContact CD2-CG 4.14Å; W340-L477 HydrophobicContact CE3-CB 4.23Å; W340-L477 HydrophobicContact CE3-CD1 4.27Å; W340-L477 HydrophobicContact CE3-CD2 3.49Å; W340-L477 VanDerWaalsContact CE3-CD2 3.49Å; W340-L477 HydrophobicContact CE3-CG 4.15Å; W340-L477 HydrophobicContact CG-CD1 3.97Å; W340-L477 HydrophobicContact CG-CD2 3.92Å; W340-L477 HydrophobicContact CH2-CB 4.22Å; W340-L477 HydrophobicContact CZ2-CB 4.5Å; W340-L477 HydrophobicContact CZ2-CD1 4.25Å; W340-L477 HydrophobicContact CZ3-CB 4.07Å; W340-L477 HydrophobicContact CZ3-CD2 4.18Å; W340-T481 VanDerWaalsContact CZ3-OG1 3.27Å; W340-T481 WeakPolarHBondContact CZ3-OG1 3.34Å
341	L	98.4	Very high	95.8	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.016	10%	0.095	C	C	.	.	H	α-helix	trans	-61.8	-42.5	176.3	-73.5	169.6	0	0	0	110.8	F205 A337 A338 T344 V345 F480 L484	F205-L341 HydrophobicContact CB-CB 4.36Å; F205-L341 HydrophobicContact CB-CD1 4.42Å; F205-L341 HydrophobicContact CD1-CB 4.22Å; F205-L341 HydrophobicContact CD1-CD1 4.22Å; F205-L341 HydrophobicContact CD2-CB 3.93Å; F205-L341 HydrophobicContact CE2-CB 4.25Å; F205-L341 HydrophobicContact CG-CB 3.92Å; F205-L341 HydrophobicContact CG-CD1 4.38Å; A337-L341 WeakPolarHBondContact O-CG 3.36Å; A337-L341 PolarHBondContact O-N 3.37Å; A338-L341 PolarHBondContact O-N 3.37Å; L341-T344 WeakPolarHBondContact O-CB 3.43Å; L341-T344 PolarHBondContact O-N 2.97Å; L341-T344 VanDerWaalsContact O-N 3.16Å; L341-V345 PolarHBondContact O-N 3.4Å; L341-F480 HydrophobicContact CD1-CB 4.13Å; L341-F480 HydrophobicContact CD1-CD2 4.19Å; L341-F480 HydrophobicContact CD1-CG 4.16Å; L341-F480 HydrophobicContact CD2-CB 3.75Å; L341-L484 HydrophobicContact CD2-CD1 4.45Å
342	N	97.6	Very high	96.1	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-64.3	-42.8	178.4	-157.5	-12.2	0	0	0	112	S202 F205 A338 A339 W340 T344 A346 I512 Y515	S202-N342 VanDerWaalsContact CB-ND2 3.31Å; S202-N342 WeakPolarHBondContact CB-ND2 3.32Å; S202-N342 PolarHBondContact OG-ND2 2.98Å; F205-N342 HydrophobicContact CD2-CB 3.98Å; F205-N342 HydrophobicContact CE2-CB 4.38Å; A338-N342 WeakPolarHBondContact O-CB 3.43Å; A338-N342 PolarHBondContact O-N 3.22Å; A339-N342 PolarHBondContact O-N 3.19Å; W340-N342 VanDerWaalsContact C-N 3.3Å; W340-N342 PolarHBondContact O-N 2.63Å; N342-T344 VanDerWaalsContact C-N 3.32Å; N342-T344 PolarHBondContact O-N 3.02Å; N342-A346 PolarHBondContact O-N 3.46Å; N342-I512 HydrophobicContact CB-CG2 4.15Å; N342-Y515 PolarHBondContact O-OH 2.7Å; N342-Y515 WeakPolarHBondContact OD1-CE1 3.48Å; N342-Y515 VanDerWaalsContact OD1-CZ 3.22Å; N342-Y515 PolarHBondContact OD1-OH 3.45Å
343	W	98.3	Very high	96.4	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	11%	0.106	C	C	.	.	H	α-helix	trans	-60.4	-42.5	171.2	-85.4	115.8	0	0	0	112.2	A339 W340 A346 F347 M389 R393 L502 L510 I512	A339-W343 PolarHBondContact O-N 3.09Å; W340-W343 PolarHBondContact O-N 3.05Å; W343-A346 WeakPolarHBondContact O-CB 3.23Å; W343-A346 PolarHBondContact O-N 2.94Å; W343-F347 AromaticContact CE3-CD2 3.97Å; W343-F347 HydrophobicContact CE3-CD2 3.97Å; W343-F347 AromaticContact CE3-CE2 3.5Å; W343-F347 HydrophobicContact CE3-CE2 3.5Å; W343-F347 VanDerWaalsContact CE3-CE2 3.5Å; W343-F347 AromaticContact CZ3-CE2 3.81Å; W343-F347 HydrophobicContact CZ3-CE2 3.81Å; W343-F347 WeakPolarHBondContact O-CD2 3.36Å; W343-F347 PolarHBondContact O-N 2.96Å; W343-M389 HydrophobicContact CB-CE 3.64Å; W343-R393 HydrophobicContact CD2-CB 4.1Å; W343-R393 HydrophobicContact CD2-CG 3.74Å; W343-R393 HydrophobicContact CE3-CG 3.76Å; W343-R393 HydrophobicContact CG-CB 4.07Å; W343-R393 HydrophobicContact CG-CG 4.18Å; W343-R393 HydrophobicContact CH2-CG 4.4Å; W343-R393 HydrophobicContact CZ2-CG 4.41Å; W343-R393 HydrophobicContact CZ3-CG 4.09Å; W343-L502 WeakPolarHBondContact CH2-O 3.4Å; W343-L502 HydrophobicContact CZ3-CB 4.31Å; W343-L502 HydrophobicContact CZ3-CD2 4.13Å; W343-L510 HydrophobicContact CZ2-CD1 4.35Å; W343-L510 HydrophobicContact CZ2-CD2 4.39Å; W343-L510 HydrophobicContact CZ2-CG 4.01Å; W343-L510 PolarHBondContact NE1-O 2.93Å; W343-I512 HydrophobicContact CD2-CB 3.88Å; W343-I512 HydrophobicContact CD2-CD1 4.41Å; W343-I512 HydrophobicContact CD2-CG1 4.44Å; W343-I512 HydrophobicContact CE3-CB 4.03Å; W343-I512 HydrophobicContact CE3-CD1 3.74Å; W343-I512 HydrophobicContact CE3-CG1 4.07Å; W343-I512 HydrophobicContact CH2-CB 4.13Å; W343-I512 HydrophobicContact CH2-CD1 4.43Å; W343-I512 HydrophobicContact CH2-CG1 4.02Å; W343-I512 HydrophobicContact CZ2-CB 3.95Å; W343-I512 HydrophobicContact CZ2-CG1 4.36Å; W343-I512 HydrophobicContact CZ3-CB 4.16Å; W343-I512 HydrophobicContact CZ3-CD1 3.78Å; W343-I512 HydrophobicContact CZ3-CG1 3.87Å
344	T	98.6	Very high	96.7	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.025	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-49.3	-178.1	-61.1	0	0	0	0	110.9	W340 L341 N342 A346 F347 L348 M389 T481	W340-T344 VanDerWaalsContact CE3-OG1 3.26Å; W340-T344 HydrophobicContact CH2-CG2 4.27Å; W340-T344 WeakPolarHBondContact CH2-OG1 3.39Å; W340-T344 HydrophobicContact CZ3-CG2 4.2Å; W340-T344 WeakPolarHBondContact CZ3-OG1 3.2Å; W340-T344 WeakPolarHBondContact O-CB 3.21Å; W340-T344 PolarHBondContact O-N 3.01Å; W340-T344 PolarHBondContact O-OG1 2.86Å; L341-T344 WeakPolarHBondContact O-CB 3.43Å; L341-T344 PolarHBondContact O-N 2.97Å; L341-T344 VanDerWaalsContact O-N 3.16Å; N342-T344 VanDerWaalsContact C-N 3.32Å; N342-T344 PolarHBondContact O-N 3.02Å; T344-A346 VanDerWaalsContact C-N 3.32Å; T344-A346 PolarHBondContact O-N 2.89Å; T344-F347 PolarHBondContact O-N 3.26Å; T344-L348 HydrophobicContact CG2-CD1 3.86Å; T344-L348 HydrophobicContact CG2-CG 4.38Å; T344-L348 WeakPolarHBondContact O-CB 3.27Å; T344-L348 WeakPolarHBondContact O-CG 3.37Å; T344-L348 PolarHBondContact O-N 2.87Å; T344-M389 HydrophobicContact CG2-CG 4.34Å; T344-T481 HydrophobicContact CG2-CG2 4.46Å
345	V	98.4	Very high	97	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.024	10%	0.099	C	C	.	.	H	α-helix	trans	-59.4	-43.2	176.4	173	0	0	0	0	111.5	F205 L341 F347 L348 L349 F490 Y515 V517	F205-V345 HydrophobicContact CE2-CG2 4.1Å; F205-V345 HydrophobicContact CZ-CG2 3.84Å; L341-V345 PolarHBondContact O-N 3.4Å; V345-F347 PolarHBondContact O-N 2.8Å; V345-L348 PolarHBondContact O-N 2.67Å; V345-L349 WeakPolarHBondContact O-CG 3.45Å; V345-L349 PolarHBondContact O-N 2.82Å; V345-F490 HydrophobicContact CG1-CB 4.17Å; V345-F490 HydrophobicContact CG1-CD1 3.95Å; V345-F490 HydrophobicContact CG1-CE1 4.5Å; V345-F490 HydrophobicContact CG1-CG 3.95Å; V345-F490 HydrophobicContact CG2-CD1 4.44Å; V345-F490 HydrophobicContact CG2-CD2 4.27Å; V345-F490 HydrophobicContact CG2-CE1 4.29Å; V345-F490 HydrophobicContact CG2-CE2 4.12Å; V345-F490 HydrophobicContact CG2-CG 4.42Å; V345-F490 HydrophobicContact CG2-CZ 4.13Å; V345-Y515 WeakPolarHBondContact CB-OH 3.4Å; V345-Y515 HydrophobicContact CG1-CE2 4.29Å; V345-V517 HydrophobicContact CG1-CB 4.45Å; V345-V517 HydrophobicContact CG1-CG1 4.28Å; V345-V517 HydrophobicContact CG1-CG2 4.01Å
346	A	98.1	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-46.7	178.3	0	0	0	0	0	112.5	N342 W343 T344 L348 L349 H350 P500 L502 I512 Y515	N342-A346 PolarHBondContact O-N 3.46Å; W343-A346 WeakPolarHBondContact O-CB 3.23Å; W343-A346 PolarHBondContact O-N 2.94Å; T344-A346 VanDerWaalsContact C-N 3.32Å; T344-A346 PolarHBondContact O-N 2.89Å; A346-L348 VanDerWaalsContact C-N 3.3Å; A346-L348 PolarHBondContact O-N 3.5Å; A346-L349 WeakPolarHBondContact O-CB 3.23Å; A346-L349 PolarHBondContact O-N 2.85Å; A346-H350 PolarHBondContact O-CD2 2.71Å; A346-H350 VanDerWaalsContact O-CD2 3.31Å; A346-H350 PolarHBondContact O-N 3.19Å; A346-P500 HydrophobicContact CB-CB 4.1Å; A346-P500 HydrophobicContact CB-CG 4.29Å; A346-L502 HydrophobicContact CB-CD2 4.18Å; A346-I512 HydrophobicContact CB-CD1 3.15Å; A346-Y515 HydrophobicContact CB-CE1 3.79Å; A346-Y515 HydrophobicContact CB-CE2 4.42Å; A346-Y515 PolarHBondContact N-OH 3.13Å; A346-Y515 VanDerWaalsContact N-OH 3.11Å
347	F	98.4	Very high	97.6	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-66	-33.7	177.7	-88.9	-78.8	0	0	0	112.9	W343 T344 V345 L349 H350 R351 M389 L392 R393 F441 L502	W343-F347 AromaticContact CE3-CD2 3.97Å; W343-F347 HydrophobicContact CE3-CD2 3.97Å; W343-F347 AromaticContact CE3-CE2 3.5Å; W343-F347 HydrophobicContact CE3-CE2 3.5Å; W343-F347 VanDerWaalsContact CE3-CE2 3.5Å; W343-F347 AromaticContact CZ3-CE2 3.81Å; W343-F347 HydrophobicContact CZ3-CE2 3.81Å; W343-F347 WeakPolarHBondContact O-CD2 3.36Å; W343-F347 PolarHBondContact O-N 2.96Å; T344-F347 PolarHBondContact O-N 3.26Å; V345-F347 PolarHBondContact O-N 2.8Å; F347-L349 VanDerWaalsContact C-N 3.3Å; F347-L349 PolarHBondContact O-N 3.25Å; F347-H350 WeakPolarHBondContact O-CB 3.34Å; F347-H350 PolarHBondContact O-N 3.46Å; F347-R351 PolarHBondContact O-N 2.73Å; F347-M389 HydrophobicContact CB-SD 3.82Å; F347-M389 HydrophobicContact CD2-CE 3.62Å; F347-M389 HydrophobicContact CD2-SD 3.79Å; F347-M389 HydrophobicContact CE2-CE 4.22Å; F347-M389 HydrophobicContact CG-CE 4.33Å; F347-M389 HydrophobicContact CG-SD 3.89Å; F347-L392 HydrophobicContact CD1-CD2 3.98Å; F347-L392 HydrophobicContact CE1-CD2 3.32Å; F347-L392 HydrophobicContact CE1-CG 4.39Å; F347-L392 HydrophobicContact CE2-CD2 4.21Å; F347-L392 HydrophobicContact CZ-CD2 3.45Å; F347-L392 VanDerWaalsContact CZ-CD2 3.45Å; F347-L392 HydrophobicContact CZ-CG 4.09Å; F347-R393 HydrophobicContact CE2-CG 3.57Å; F347-R393 HydrophobicContact CZ-CG 4.14Å; F347-F441 HydrophobicContact CB-CD1 3.88Å; F347-F441 HydrophobicContact CB-CD2 4.47Å; F347-F441 HydrophobicContact CB-CE1 3.83Å; F347-F441 HydrophobicContact CB-CE2 4.4Å; F347-F441 HydrophobicContact CB-CG 4.23Å; F347-F441 HydrophobicContact CB-CZ 4.09Å; F347-F441 HydrophobicContact CD1-CB 3.52Å; F347-F441 AromaticContact CD1-CD1 3.79Å; F347-F441 HydrophobicContact CD1-CD1 3.79Å; F347-F441 HydrophobicContact CD1-CD2 4.11Å; F347-F441 AromaticContact CD1-CG 3.55Å; F347-F441 HydrophobicContact CD1-CG 3.55Å; F347-F441 HydrophobicContact CE1-CB 3.8Å; F347-F441 HydrophobicContact CE1-CG 4.27Å; F347-F441 HydrophobicContact CG-CD1 4.25Å; F347-F441 HydrophobicContact CG-CD2 4.41Å; F347-F441 HydrophobicContact CG-CG 4.17Å; F347-L502 HydrophobicContact CD1-CD1 4.13Å; F347-L502 HydrophobicContact CD2-CD2 4.34Å; F347-L502 HydrophobicContact CE1-CD1 3.67Å; F347-L502 HydrophobicContact CE1-CD2 4.5Å; F347-L502 HydrophobicContact CE2-CD2 4.16Å; F347-L502 HydrophobicContact CZ-CB 4.45Å; F347-L502 HydrophobicContact CZ-CD1 3.98Å; F347-L502 HydrophobicContact CZ-CD2 4.26Å; F347-L502 HydrophobicContact CZ-CG 4.47Å
348	L	98.3	Very high	97.7	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-68.8	-26.7	175.2	-71.1	175.4	0	0	0	113	T344 V345 A346 H350 R351 V354 Q355 L385 L485	T344-L348 HydrophobicContact CG2-CD1 3.86Å; T344-L348 HydrophobicContact CG2-CG 4.38Å; T344-L348 WeakPolarHBondContact O-CB 3.27Å; T344-L348 WeakPolarHBondContact O-CG 3.37Å; T344-L348 PolarHBondContact O-N 2.87Å; V345-L348 PolarHBondContact O-N 2.67Å; A346-L348 VanDerWaalsContact C-N 3.3Å; A346-L348 PolarHBondContact O-N 3.5Å; L348-H350 VanDerWaalsContact C-N 3.35Å; L348-R351 CarbonylContact O-C 3.15Å; L348-R351 PolarHBondContact O-N 3.47Å; L348-V354 HydrophobicContact CD2-CB 3.97Å; L348-V354 HydrophobicContact CD2-CG1 3.64Å; L348-Q355 HydrophobicContact CB-CG 3.58Å; L348-Q355 HydrophobicContact CD1-CG 4.05Å; L348-Q355 HydrophobicContact CD2-CG 3.69Å; L348-Q355 HydrophobicContact CG-CG 3.95Å; L348-Q355 PolarHBondContact O-NE2 2.79Å; L348-L385 HydrophobicContact CD2-CD1 4.13Å; L348-L385 HydrophobicContact CD2-CD2 4.3Å; L348-L485 HydrophobicContact CD1-CD1 3.99Å; L348-L485 HydrophobicContact CD1-CD2 3.69Å; L348-L485 HydrophobicContact CD1-CG 4.41Å
349	L	97.4	Very high	97.8	Very high	10 Å²	10	23.2 Å²	23.2	5%	0.052	12%	0.121	C	C	.	.	H	α-helix	trans	-68.8	-34	170.1	-68.5	171.1	0	0	0	112.2	V345 A346 F347 R351 F490 V491 L492 L499 P500 Y515 V517	V345-L349 WeakPolarHBondContact O-CG 3.45Å; V345-L349 PolarHBondContact O-N 2.82Å; A346-L349 WeakPolarHBondContact O-CB 3.23Å; A346-L349 PolarHBondContact O-N 2.85Å; F347-L349 VanDerWaalsContact C-N 3.3Å; F347-L349 PolarHBondContact O-N 3.25Å; L349-R351 VanDerWaalsContact C-N 3.34Å; L349-F490 HydrophobicContact CD2-CB 4.3Å; L349-V491 VanDerWaalsContact CD2-C 3.42Å; L349-L492 HydrophobicContact CD1-CD2 4.22Å; L349-L492 HydrophobicContact CD2-CD2 4.48Å; L349-L492 HydrophobicContact CD2-CG 4.45Å; L349-L499 HydrophobicContact CB-CD2 4.18Å; L349-L499 VanDerWaalsContact O-CD2 3.31Å; L349-L499 WeakPolarHBondContact O-CD2 3.44Å; L349-P500 HydrophobicContact CD1-CG 3.73Å; L349-Y515 HydrophobicContact CD1-CD2 4.1Å; L349-Y515 HydrophobicContact CD1-CE2 3.78Å; L349-V517 HydrophobicContact CD1-CB 4.26Å; L349-V517 HydrophobicContact CD1-CG2 3.98Å; L349-V517 HydrophobicContact CD2-CG2 3.98Å; L349-V517 HydrophobicContact CG-CG2 4.38Å
350	H	96.8	Very high	97.9	Very high	66 Å²	66	28.5 Å²	28.5	31%	0.306	15%	0.145	S	C	.	.	H	α-helix	trans	-74.6	-23.9	173.8	-78	-106.1	0	0	0	113	A346 F347 L348 P500 L502	A346-H350 PolarHBondContact O-CD2 2.71Å; A346-H350 VanDerWaalsContact O-CD2 3.31Å; A346-H350 PolarHBondContact O-N 3.19Å; F347-H350 WeakPolarHBondContact O-CB 3.34Å; F347-H350 PolarHBondContact O-N 3.46Å; L348-H350 VanDerWaalsContact C-N 3.35Å; H350-P500 PolarHBondContact NE2-O 2.71Å; H350-L502 WeakPolarHBondContact NE2-CG 3.31Å
351	R	96.7	Very high	97.9	Very high	74 Å²	74	28.6 Å²	28.6	28%	0.279	15%	0.145	S	C	.	.			trans	-134.2	70.7	-177	-74.2	-85.1	-67.2	-170.1	-2.7	111.9	F347 L348 L349 E353 V354 F441 E444	F347-R351 PolarHBondContact O-N 2.73Å; L348-R351 CarbonylContact O-C 3.15Å; L348-R351 PolarHBondContact O-N 3.47Å; L349-R351 VanDerWaalsContact C-N 3.34Å; R351-E353 WeakPolarHBondContact CA-OE2 3.44Å; R351-E353 WeakPolarHBondContact CD-OE1 3.09Å; R351-E353 IonicContact CZ-OE1 3.02Å; R351-E353 IonicContact NE-OE1 2.72Å; R351-E353 PolarHBondContact NE-OE1 2.8Å; R351-E353 IonicContact NH1-OE1 3.7Å; R351-E353 PolarHBondContact NH1-OE1 3.24Å; R351-E353 IonicContact NH2-OE1 2.94Å; R351-E353 PolarHBondContact O-N 2.99Å; R351-V354 HydrophobicContact CB-CB 4.45Å; R351-V354 HydrophobicContact CB-CG2 3.91Å; R351-V354 WeakPolarHBondContact O-CB 3.46Å; R351-V354 PolarHBondContact O-N 3.4Å; R351-V354 VanDerWaalsContact O-N 3.09Å; R351-F441 HydrophobicContact CB-CD1 4.01Å; R351-F441 HydrophobicContact CB-CE1 4.02Å; R351-F441 HydrophobicContact CG-CD1 3.82Å; R351-F441 HydrophobicContact CG-CE1 4.34Å; R351-E444 IonicContact NH2-OE1 3.82Å; R351-E444 PolarHBondContact NH2-OE1 3.31Å; R351-E444 IonicContact NH2-OE2 2.89Å
352	P	96.4	Very high	97.9	Very high	64 Å²	64	28.5 Å²	28.5	42%	0.416	15%	0.145	S	C	.	.	H	α-helix	trans	-58.4	-29.3	-178.3	-23.8	34.9	0	0	0	114.2	V354 Q355 T356	P352-V354 PolarHBondContact O-N 3.3Å; P352-Q355 WeakPolarHBondContact O-CB 3.12Å; P352-Q355 PolarHBondContact O-N 3.19Å; P352-Q355 VanDerWaalsContact O-N 3.1Å; P352-T356 PolarHBondContact O-N 2.88Å; P352-T356 PolarHBondContact O-OG1 3.36Å
353	E	97.8	Very high	97.9	Very high	85 Å²	85	30.8 Å²	30.8	40%	0.397	16%	0.161	S	C	.	.	H	α-helix	trans	-61	-29.1	177.3	70	-85.6	-143.9	0	0	113	R351 S357	R351-E353 WeakPolarHBondContact CA-OE2 3.44Å; R351-E353 WeakPolarHBondContact CD-OE1 3.09Å; R351-E353 IonicContact CZ-OE1 3.02Å; R351-E353 IonicContact NE-OE1 2.72Å; R351-E353 PolarHBondContact NE-OE1 2.8Å; R351-E353 IonicContact NH1-OE1 3.7Å; R351-E353 PolarHBondContact NH1-OE1 3.24Å; R351-E353 IonicContact NH2-OE1 2.94Å; R351-E353 PolarHBondContact O-N 2.99Å; E353-S357 WeakPolarHBondContact O-CB 3.22Å; E353-S357 PolarHBondContact O-N 2.99Å; E353-S357 PolarHBondContact O-OG 2.93Å
354	V	98.2	Very high	97.8	Very high	5 Å²	5	39 Å²	39	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-70.4	-40.2	176	175.4	0	0	0	0	110.1	L348 R351 P352 T356 S357 V358 L385 F441 P443	L348-V354 HydrophobicContact CD2-CB 3.97Å; L348-V354 HydrophobicContact CD2-CG1 3.64Å; R351-V354 HydrophobicContact CB-CB 4.45Å; R351-V354 HydrophobicContact CB-CG2 3.91Å; R351-V354 WeakPolarHBondContact O-CB 3.46Å; R351-V354 PolarHBondContact O-N 3.4Å; R351-V354 VanDerWaalsContact O-N 3.09Å; P352-V354 PolarHBondContact O-N 3.3Å; V354-T356 VanDerWaalsContact C-N 3.34Å; V354-T356 PolarHBondContact O-N 2.96Å; V354-S357 PolarHBondContact O-N 3.45Å; V354-V358 WeakPolarHBondContact O-CG2 3.38Å; V354-V358 PolarHBondContact O-N 3.47Å; V354-L385 HydrophobicContact CG1-CD1 4.12Å; V354-F441 HydrophobicContact CG1-CZ 4.42Å; V354-F441 HydrophobicContact CG2-CE1 4.33Å; V354-P443 HydrophobicContact CG1-CG 3.89Å; V354-P443 HydrophobicContact CG2-CG 4.08Å
355	Q	97.4	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.3	-46.4	175.2	-60.4	-172.8	54.5	0	0	111	L348 P352 V358 Y359 L485 F490	L348-Q355 HydrophobicContact CB-CG 3.58Å; L348-Q355 HydrophobicContact CD1-CG 4.05Å; L348-Q355 HydrophobicContact CD2-CG 3.69Å; L348-Q355 HydrophobicContact CG-CG 3.95Å; L348-Q355 PolarHBondContact O-NE2 2.79Å; P352-Q355 WeakPolarHBondContact O-CB 3.12Å; P352-Q355 PolarHBondContact O-N 3.19Å; P352-Q355 VanDerWaalsContact O-N 3.1Å; Q355-V358 PolarHBondContact O-N 3.5Å; Q355-Y359 WeakPolarHBondContact O-CB 3.32Å; Q355-Y359 PolarHBondContact O-N 3Å; Q355-L485 HydrophobicContact CG-CD2 4.41Å; Q355-F490 PolarHBondContact NE2-O 2.99Å
356	T	97.9	Very high	97.6	Very high	50 Å²	50	40.1 Å²	40.1	31%	0.307	20%	0.198	S	C	.	.	H	α-helix	trans	-61	-46.9	178.8	-58.1	0	0	0	0	111.3	P352 V354 V358 Y359 E360	P352-T356 PolarHBondContact O-N 2.88Å; P352-T356 PolarHBondContact O-OG1 3.36Å; V354-T356 VanDerWaalsContact C-N 3.34Å; V354-T356 PolarHBondContact O-N 2.96Å; T356-V358 VanDerWaalsContact C-N 3.32Å; T356-V358 PolarHBondContact O-N 3.47Å; T356-Y359 PolarHBondContact O-N 2.84Å; T356-E360 HydrophobicContact CG2-CG 4.42Å; T356-E360 WeakPolarHBondContact O-CG 3.32Å; T356-E360 PolarHBondContact O-N 3.01Å
357	S	98.1	Very high	97.4	Very high	54 Å²	54	48.4 Å²	48.4	38%	0.378	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-40.3	179.4	-57.7	0	0	0	0	112.5	E353 V354 E361	E353-S357 WeakPolarHBondContact O-CB 3.22Å; E353-S357 PolarHBondContact O-N 2.99Å; E353-S357 PolarHBondContact O-OG 2.93Å; V354-S357 PolarHBondContact O-N 3.45Å; S357-E361 WeakPolarHBondContact O-CB 3.5Å; S357-E361 PolarHBondContact O-N 3.26Å; S357-E361 VanDerWaalsContact O-N 3.12Å
358	V	98.2	Very high	96.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-43.6	175.9	173.3	0	0	0	0	111.1	V354 Q355 T356 E361 L362 V381 L382 L385 L485	V354-V358 WeakPolarHBondContact O-CG2 3.38Å; V354-V358 PolarHBondContact O-N 3.47Å; Q355-V358 PolarHBondContact O-N 3.5Å; T356-V358 VanDerWaalsContact C-N 3.32Å; T356-V358 PolarHBondContact O-N 3.47Å; V358-E361 PolarHBondContact O-N 3.1Å; V358-L362 HydrophobicContact CG1-CD1 3.76Å; V358-L362 HydrophobicContact CG1-CG 4.26Å; V358-L362 VanDerWaalsContact O-CG 3.22Å; V358-L362 WeakPolarHBondContact O-CG 3.44Å; V358-L362 PolarHBondContact O-N 3.16Å; V358-V381 HydrophobicContact CG2-CG1 3.84Å; V358-L382 HydrophobicContact CG1-CB 4.24Å; V358-L382 HydrophobicContact CG1-CD1 4.12Å; V358-L385 HydrophobicContact CG2-CD2 4.06Å; V358-L485 HydrophobicContact CB-CD1 4.11Å; V358-L485 HydrophobicContact CG1-CB 4.13Å; V358-L485 HydrophobicContact CG1-CD1 3.71Å; V358-L485 HydrophobicContact CG2-CD1 4.45Å
359	Y	98.3	Very high	96.7	Very high	41 Å²	41	54.9 Å²	54.9	16%	0.161	28%	0.279	C	S	.	.	H	α-helix	trans	-60	-46.6	176.9	175	-106.7	0	0	0	111.9	Q355 T356 E361 L362 C363 L485 R486 R522	Q355-Y359 WeakPolarHBondContact O-CB 3.32Å; Q355-Y359 PolarHBondContact O-N 3Å; T356-Y359 PolarHBondContact O-N 2.84Å; Y359-E361 VanDerWaalsContact C-N 3.33Å; Y359-E361 PolarHBondContact O-N 3.17Å; Y359-L362 WeakPolarHBondContact O-CB 3.44Å; Y359-L362 PolarHBondContact O-N 2.79Å; Y359-L362 VanDerWaalsContact O-N 3.15Å; Y359-C363 WeakPolarHBondContact CE2-SG 3.15Å; Y359-C363 PolarHBondContact O-N 2.87Å; Y359-C363 PolarHBondContact O-SG 3.12Å; Y359-C363 VanDerWaalsContact O-SG 3.38Å; Y359-L485 WeakPolarHBondContact CD2-O 3.45Å; Y359-R486 VanDerWaalsContact CE2-O 3.28Å; Y359-R486 WeakPolarHBondContact CE2-O 3.17Å; Y359-R522 VanDerWaalsContact CD1-NH1 3.27Å; Y359-R522 HydrophobicContact CE2-CB 3.97Å; Y359-R522 HydrophobicContact CE2-CG 4.26Å
360	E	98	Very high	96.6	Very high	120 Å²	120	57.8 Å²	57.8	56%	0.561	29%	0.289	S	S	*	.	H	α-helix	trans	-60.1	-42	177.1	-72.7	174.9	179.8	0	0	112.2	T356 C363 R364	T356-E360 HydrophobicContact CG2-CG 4.42Å; T356-E360 WeakPolarHBondContact O-CG 3.32Å; T356-E360 PolarHBondContact O-N 3.01Å; E360-C363 PolarHBondContact O-N 3.42Å; E360-R364 VanDerWaalsContact O-CB 3.29Å; E360-R364 WeakPolarHBondContact O-CB 3.18Å; E360-R364 PolarHBondContact O-N 2.92Å
361	E	98.2	Very high	96.5	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.019	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-47.5	173.3	-177.6	-178.1	-114.2	0	0	111.4	S357 V358 Y359 R364 V365 L379 P380 V381 L382	S357-E361 WeakPolarHBondContact O-CB 3.5Å; S357-E361 PolarHBondContact O-N 3.26Å; S357-E361 VanDerWaalsContact O-N 3.12Å; V358-E361 PolarHBondContact O-N 3.1Å; Y359-E361 VanDerWaalsContact C-N 3.33Å; Y359-E361 PolarHBondContact O-N 3.17Å; E361-R364 PolarHBondContact O-N 2.99Å; E361-V365 HydrophobicContact CG-CG2 4.37Å; E361-V365 WeakPolarHBondContact O-CB 3.28Å; E361-V365 WeakPolarHBondContact O-CG2 3.46Å; E361-V365 PolarHBondContact O-N 2.97Å; E361-L379 VanDerWaalsContact CD-CA 3.5Å; E361-L379 HydrophobicContact CG-CD2 3.7Å; E361-L379 VanDerWaalsContact OE2-C 3.3Å; E361-L379 WeakPolarHBondContact OE2-CA 3.49Å; E361-P380 WeakPolarHBondContact OE1-CD 3.37Å; E361-P380 WeakPolarHBondContact OE1-CG 3.34Å; E361-P380 VanDerWaalsContact OE1-N 3.11Å; E361-V381 HydrophobicContact CB-CB 4.42Å; E361-V381 HydrophobicContact CB-CG2 4.5Å; E361-V381 VanDerWaalsContact CD-CB 3.49Å; E361-V381 WeakPolarHBondContact OE1-CB 3.29Å; E361-V381 VanDerWaalsContact OE1-CG2 3.28Å; E361-V381 WeakPolarHBondContact OE1-CG2 3.47Å; E361-V381 PolarHBondContact OE1-N 3.31Å; E361-V381 WeakPolarHBondContact OE2-CB 3.42Å; E361-V381 PolarHBondContact OE2-N 2.65Å; E361-L382 PolarHBondContact OE2-N 3.37Å
362	L	98.2	Very high	96.4	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-46.8	179	-69.6	166.3	0	0	0	111.3	V358 Y359 R364 L366 L379 L382 A482 L485 R486	V358-L362 HydrophobicContact CG1-CD1 3.76Å; V358-L362 HydrophobicContact CG1-CG 4.26Å; V358-L362 VanDerWaalsContact O-CG 3.22Å; V358-L362 WeakPolarHBondContact O-CG 3.44Å; V358-L362 PolarHBondContact O-N 3.16Å; Y359-L362 WeakPolarHBondContact O-CB 3.44Å; Y359-L362 PolarHBondContact O-N 2.79Å; Y359-L362 VanDerWaalsContact O-N 3.15Å; L362-R364 PolarHBondContact O-N 3.23Å; L362-L366 HydrophobicContact CB-CD1 4.21Å; L362-L366 HydrophobicContact CD2-CD1 3.62Å; L362-L366 HydrophobicContact CD2-CG 4.44Å; L362-L366 WeakPolarHBondContact O-CB 3.5Å; L362-L366 WeakPolarHBondContact O-CG 3.37Å; L362-L366 PolarHBondContact O-N 2.84Å; L362-L379 HydrophobicContact CD2-CD1 3.79Å; L362-L379 HydrophobicContact CD2-CD2 4.15Å; L362-L382 HydrophobicContact CD2-CD2 4.44Å; L362-A482 HydrophobicContact CD2-CB 4.24Å; L362-L485 HydrophobicContact CD1-CB 4.35Å; L362-R486 HydrophobicContact CD1-CB 4.17Å
363	C	97.3	Very high	96.2	Very high	55 Å²	55	55.7 Å²	55.7	37%	0.372	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-48.6	177	-71.9	0	0	0	0	111.7	Y359 E360 E367	Y359-C363 WeakPolarHBondContact CE2-SG 3.15Å; Y359-C363 PolarHBondContact O-N 2.87Å; Y359-C363 PolarHBondContact O-SG 3.12Å; Y359-C363 VanDerWaalsContact O-SG 3.38Å; E360-C363 PolarHBondContact O-N 3.42Å; C363-E367 PolarHBondContact O-N 2.88Å; C363-E367 VanDerWaalsContact O-N 3.11Å
364	R	97.2	Very high	96.1	Very high	174 Å²	174	54.7 Å²	54.7	66%	0.657	28%	0.277	S	S	*	.	H	α-helix	trans	-64.2	-42.1	-177.9	-178	-176.4	63.7	-170.4	-3.9	112.9	E360 E361 L362	E360-R364 VanDerWaalsContact O-CB 3.29Å; E360-R364 WeakPolarHBondContact O-CB 3.18Å; E360-R364 PolarHBondContact O-N 2.92Å; E361-R364 PolarHBondContact O-N 2.99Å; L362-R364 PolarHBondContact O-N 3.23Å
365	V	97.5	Very high	96	Very high	27 Å²	27	54.7 Å²	54.7	16%	0.164	28%	0.276	C	S	.	.	H	α-helix	trans	-90.2	-28.7	-172.5	175	0	0	0	0	113.1	E361 R378 L379	E361-V365 HydrophobicContact CG-CG2 4.37Å; E361-V365 WeakPolarHBondContact O-CB 3.28Å; E361-V365 WeakPolarHBondContact O-CG2 3.46Å; E361-V365 PolarHBondContact O-N 2.97Å; V365-R378 HydrophobicContact CG1-CB 3.67Å; V365-L379 HydrophobicContact CB-CD2 3.77Å; V365-L379 HydrophobicContact CG1-CD2 3.86Å; V365-L379 HydrophobicContact CG1-CG 4.44Å; V365-L379 HydrophobicContact CG2-CD2 4.11Å
366	L	96.1	Very high	95.8	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-97.8	-19.5	-175.1	-53.4	-177.8	0	0	0	112.9	L362 G368 R369 P371 D375 L379	L362-L366 HydrophobicContact CB-CD1 4.21Å; L362-L366 HydrophobicContact CD2-CD1 3.62Å; L362-L366 HydrophobicContact CD2-CG 4.44Å; L362-L366 WeakPolarHBondContact O-CB 3.5Å; L362-L366 WeakPolarHBondContact O-CG 3.37Å; L362-L366 PolarHBondContact O-N 2.84Å; L366-G368 PolarHBondContact O-N 2.77Å; L366-R369 HydrophobicContact CB-CG 4.11Å; L366-R369 VanDerWaalsContact CD2-CZ 3.48Å; L366-R369 WeakPolarHBondContact O-CD 3.28Å; L366-R369 WeakPolarHBondContact O-CG 3.31Å; L366-R369 PolarHBondContact O-N 2.91Å; L366-R369 VanDerWaalsContact O-N 3.08Å; L366-R369 PolarHBondContact O-NE 3.26Å; L366-P371 HydrophobicContact CD1-CB 3.73Å; L366-P371 HydrophobicContact CD1-CG 4.3Å; L366-D375 HydrophobicContact CD2-CB 4.3Å; L366-L379 HydrophobicContact CD2-CD1 4.37Å
367	E	92.9	Very high	95.6	Very high	174 Å²	174	64.2 Å²	64.2	81%	0.813	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	44.7	176.4	-60.3	174.8	-159.6	0	0	111.9	C363 R369	C363-E367 PolarHBondContact O-N 2.88Å; C363-E367 VanDerWaalsContact O-N 3.11Å; E367-R369 VanDerWaalsContact C-N 3.35Å; E367-R369 PolarHBondContact O-N 2.77Å
368	G	87.7	Confident	95.6	Very high	57 Å²	57	67.1 Å²	67.1	59%	0.588	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-8.8	177.6	0	0	0	0	0	115.9	L366 R486	L366-G368 PolarHBondContact O-N 2.77Å; G368-R486 PolarHBondContact O-NH2 3.33Å
369	R	94.6	Very high	95.5	Very high	87 Å²	87	67.1 Å²	67.1	33%	0.328	32%	0.315	S	S	.	.	S	Bend	trans	-77.6	160.1	172.6	83.4	-157.6	164.2	69	-1.8	111.9	L366 E367 D375 R486	L366-R369 HydrophobicContact CB-CG 4.11Å; L366-R369 VanDerWaalsContact CD2-CZ 3.48Å; L366-R369 WeakPolarHBondContact O-CD 3.28Å; L366-R369 WeakPolarHBondContact O-CG 3.31Å; L366-R369 PolarHBondContact O-N 2.91Å; L366-R369 VanDerWaalsContact O-N 3.08Å; L366-R369 PolarHBondContact O-NE 3.26Å; E367-R369 VanDerWaalsContact C-N 3.35Å; E367-R369 PolarHBondContact O-N 2.77Å; R369-D375 IonicContact CZ-OD1 3.45Å; R369-D375 IonicContact CZ-OD2 2.7Å; R369-D375 IonicContact NH1-OD1 2.82Å; R369-D375 PolarHBondContact NH1-OD1 3.2Å; R369-D375 IonicContact NH1-OD2 3.28Å; R369-D375 PolarHBondContact NH1-OD2 2.96Å; R369-D375 IonicContact NH2-OD1 3.29Å; R369-D375 PolarHBondContact NH2-OD1 2.87Å; R369-D375 IonicContact NH2-OD2 3.55Å; R369-D375 PolarHBondContact NH2-OD2 3.17Å; R369-R486 PolarHBondContact O-NE 3.06Å
370	Y	94.8	Very high	95.5	Very high	71 Å²	71	68.4 Å²	68.4	28%	0.278	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-72.8	147.1	171.1	-80.6	-82.6	0	0	0	111.8	L185 R188 Y483 R486 D487	L185-Y370 HydrophobicContact CD2-CE1 3.91Å; L185-Y370 HydrophobicContact CD2-CE2 4.22Å; R188-Y370 PolarHBondContact NE-OH 2.99Å; Y370-Y483 WeakPolarHBondContact CB-OH 3.37Å; Y370-Y483 AromaticContact CD1-CD1 3.51Å; Y370-Y483 HydrophobicContact CD1-CD1 3.51Å; Y370-Y483 HydrophobicContact CD1-CD2 4.49Å; Y370-Y483 AromaticContact CD1-CE1 3.16Å; Y370-Y483 HydrophobicContact CD1-CE1 3.16Å; Y370-Y483 HydrophobicContact CD1-CE2 4.23Å; Y370-Y483 HydrophobicContact CD1-CG 4.18Å; Y370-Y483 AromaticContact CD1-CZ 3.57Å; Y370-Y483 AromaticContact CE1-CD1 3.65Å; Y370-Y483 HydrophobicContact CE1-CD1 3.65Å; Y370-Y483 AromaticContact CE1-CE1 3.59Å; Y370-Y483 HydrophobicContact CE1-CE1 3.59Å; Y370-Y483 AromaticContact CG-CE1 3.88Å; Y370-Y483 HydrophobicContact CG-CE1 3.88Å; Y370-Y483 AromaticContact CG-CZ 3.96Å; Y370-R486 VanDerWaalsContact CD1-NH1 3.29Å; Y370-D487 PolarHBondContact OH-OD2 3.13Å
371	P	94.8	Very high	95.4	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-68.6	141.3	-178.8	25.4	-30.7	0	0	0	111.5	L366 L479 A482 Y483	L366-P371 HydrophobicContact CD1-CB 3.73Å; L366-P371 HydrophobicContact CD1-CG 4.3Å; P371-L479 WeakPolarHBondContact O-CD2 3.13Å; P371-A482 HydrophobicContact CB-CB 3.75Å; P371-A482 HydrophobicContact CG-CB 3.43Å; P371-A482 VanDerWaalsContact CG-CB 3.43Å; P371-Y483 HydrophobicContact CG-CD2 3.48Å; P371-Y483 VanDerWaalsContact CG-CD2 3.48Å; P371-Y483 HydrophobicContact CG-CE2 3.59Å; P371-Y483 HydrophobicContact CG-CG 4.47Å; P371-Y483 WeakPolarHBondContact O-CE2 3.37Å
372	K	94.9	Very high	95.5	Very high	115 Å²	115	63.9 Å²	63.9	50%	0.5	31%	0.309	S	S	.	.			trans	-112.5	154.2	168.7	-65.3	-178.6	178.3	-179.2	0	109.2	S374 D375	K372-S374 PolarHBondContact O-N 3.34Å; K372-S374 VanDerWaalsContact O-N 3.13Å; K372-D375 PolarHBondContact N-OD2 2.75Å; K372-D375 VanDerWaalsContact O-CB 3.22Å; K372-D375 WeakPolarHBondContact O-CB 3.38Å; K372-D375 PolarHBondContact O-N 3.1Å
373	Y	93.3	Very high	95.4	Very high	45 Å²	45	65.4 Å²	65.4	18%	0.176	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-63.6	-23.8	178.9	-173.7	-112.4	0	0	0	113.1	H177 D375 R376 I475 F478	H177-Y373 WeakPolarHBondContact NE2-CB 3.2Å; Y373-D375 PolarHBondContact O-N 3.28Å; Y373-R376 WeakPolarHBondContact O-CD 3.42Å; Y373-R376 WeakPolarHBondContact O-CG 3.48Å; Y373-R376 PolarHBondContact O-N 3.22Å; Y373-R376 PolarHBondContact O-NH1 3.04Å; Y373-I475 HydrophobicContact CD1-CD1 4.25Å; Y373-I475 HydrophobicContact CD1-CG1 3.71Å; Y373-I475 HydrophobicContact CD2-CB 4.2Å; Y373-I475 HydrophobicContact CD2-CG1 3.92Å; Y373-I475 HydrophobicContact CD2-CG2 4.19Å; Y373-I475 HydrophobicContact CE1-CD1 4.25Å; Y373-I475 HydrophobicContact CE1-CG1 3.62Å; Y373-I475 HydrophobicContact CE2-CB 4.35Å; Y373-I475 HydrophobicContact CE2-CG1 3.85Å; Y373-I475 HydrophobicContact CG-CB 4.37Å; Y373-I475 HydrophobicContact CG-CG1 3.85Å; Y373-I475 HydrophobicContact CG-CG2 4.08Å; Y373-F478 HydrophobicContact CD2-CB 3.98Å; Y373-F478 AromaticContact CD2-CD1 3.75Å; Y373-F478 HydrophobicContact CD2-CD1 3.75Å; Y373-F478 HydrophobicContact CD2-CE1 4.43Å; Y373-F478 AromaticContact CD2-CG 3.91Å; Y373-F478 HydrophobicContact CD2-CG 3.91Å; Y373-F478 HydrophobicContact CE2-CB 4.04Å; Y373-F478 HydrophobicContact CE2-CG 4.21Å
374	S	94	Very high	95.4	Very high	65 Å²	65	63 Å²	63	46%	0.455	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-60.5	-24.2	170.7	51.2	0	0	0	0	112.8	K372 R376 H377	K372-S374 PolarHBondContact O-N 3.34Å; K372-S374 VanDerWaalsContact O-N 3.13Å; S374-R376 VanDerWaalsContact C-N 3.29Å; S374-R376 PolarHBondContact O-N 2.9Å; S374-H377 PolarHBondContact O-CE1 2.86Å; S374-H377 PolarHBondContact O-ND1 2.86Å
375	D	95.8	Very high	95.5	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-74.8	-12.6	-178.6	-63.2	-49.3	0	0	0	114.5	L366 R369 K372 Y373 H377 R378 L379	L366-D375 HydrophobicContact CD2-CB 4.3Å; R369-D375 IonicContact CZ-OD1 3.45Å; R369-D375 IonicContact CZ-OD2 2.7Å; R369-D375 IonicContact NH1-OD1 2.82Å; R369-D375 PolarHBondContact NH1-OD1 3.2Å; R369-D375 IonicContact NH1-OD2 3.28Å; R369-D375 PolarHBondContact NH1-OD2 2.96Å; R369-D375 IonicContact NH2-OD1 3.29Å; R369-D375 PolarHBondContact NH2-OD1 2.87Å; R369-D375 IonicContact NH2-OD2 3.55Å; R369-D375 PolarHBondContact NH2-OD2 3.17Å; K372-D375 PolarHBondContact N-OD2 2.75Å; K372-D375 VanDerWaalsContact O-CB 3.22Å; K372-D375 WeakPolarHBondContact O-CB 3.38Å; K372-D375 PolarHBondContact O-N 3.1Å; Y373-D375 PolarHBondContact O-N 3.28Å; D375-H377 PolarHBondContact O-N 3.43Å; D375-R378 WeakPolarHBondContact O-CA 3.37Å; D375-R378 PolarHBondContact O-N 2.68Å; D375-R378 IonicContact OD1-CZ 2.98Å; D375-R378 IonicContact OD1-NE 3.65Å; D375-R378 IonicContact OD1-NH2 3.83Å; D375-R378 PolarHBondContact OD1-NH2 3.45Å; D375-L379 HydrophobicContact CB-CD1 3.98Å; D375-L379 HydrophobicContact CB-CG 4.48Å; D375-L379 PolarHBondContact O-N 2.75Å
376	R	94.8	Very high	95.5	Very high	108 Å²	108	54.2 Å²	54.2	41%	0.408	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-49.8	-33.7	-173.5	71.1	-168.5	177.6	-77	-4.2	115.2	Y373 S374 R378 L379 S383 F478	Y373-R376 WeakPolarHBondContact O-CD 3.42Å; Y373-R376 WeakPolarHBondContact O-CG 3.48Å; Y373-R376 PolarHBondContact O-N 3.22Å; Y373-R376 PolarHBondContact O-NH1 3.04Å; S374-R376 VanDerWaalsContact C-N 3.29Å; S374-R376 PolarHBondContact O-N 2.9Å; R376-R378 VanDerWaalsContact C-N 3.27Å; R376-R378 PolarHBondContact O-N 2.79Å; R376-L379 PolarHBondContact O-N 3.04Å; R376-S383 PolarHBondContact O-OG 3.28Å; R376-F478 VanDerWaalsContact CA-CZ 3.47Å; R376-F478 HydrophobicContact CB-CD2 4.06Å; R376-F478 HydrophobicContact CB-CE1 4.46Å; R376-F478 HydrophobicContact CB-CE2 3.47Å; R376-F478 VanDerWaalsContact CB-CE2 3.47Å; R376-F478 HydrophobicContact CB-CZ 3.69Å
377	H	94.1	Very high	95.6	Very high	142 Å²	142	55.6 Å²	55.6	66%	0.657	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-73.1	-18.8	179.6	65.9	-78.1	0	0	0	113.6	S374 D375	S374-H377 PolarHBondContact O-CE1 2.86Å; S374-H377 PolarHBondContact O-ND1 2.86Å; D375-H377 PolarHBondContact O-N 3.43Å
378	R	96.7	Very high	95.8	Very high	115 Å²	115	47.3 Å²	47.3	43%	0.434	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-100.3	-1.6	175.8	-56.7	-171.5	-70.3	170.7	-8.2	112.9	V365 D375 R376 P380	V365-R378 HydrophobicContact CG1-CB 3.67Å; D375-R378 WeakPolarHBondContact O-CA 3.37Å; D375-R378 PolarHBondContact O-N 2.68Å; D375-R378 IonicContact OD1-CZ 2.98Å; D375-R378 IonicContact OD1-NE 3.65Å; D375-R378 IonicContact OD1-NH2 3.83Å; D375-R378 PolarHBondContact OD1-NH2 3.45Å; R376-R378 VanDerWaalsContact C-N 3.27Å; R376-R378 PolarHBondContact O-N 2.79Å; R378-P380 VanDerWaalsContact O-CD 3.27Å; R378-P380 WeakPolarHBondContact O-CD 2.99Å
379	L	97.4	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.212	C	C	.	.			trans	-118.9	62.2	-179.8	-61.7	175.9	0	0	0	110.6	E361 L362 V365 L366 D375 R376 V381 L382 S383 F478	E361-L379 VanDerWaalsContact CD-CA 3.5Å; E361-L379 HydrophobicContact CG-CD2 3.7Å; E361-L379 VanDerWaalsContact OE2-C 3.3Å; E361-L379 WeakPolarHBondContact OE2-CA 3.49Å; L362-L379 HydrophobicContact CD2-CD1 3.79Å; L362-L379 HydrophobicContact CD2-CD2 4.15Å; V365-L379 HydrophobicContact CB-CD2 3.77Å; V365-L379 HydrophobicContact CG1-CD2 3.86Å; V365-L379 HydrophobicContact CG1-CG 4.44Å; V365-L379 HydrophobicContact CG2-CD2 4.11Å; L366-L379 HydrophobicContact CD2-CD1 4.37Å; D375-L379 HydrophobicContact CB-CD1 3.98Å; D375-L379 HydrophobicContact CB-CG 4.48Å; D375-L379 PolarHBondContact O-N 2.75Å; R376-L379 PolarHBondContact O-N 3.04Å; L379-V381 PolarHBondContact O-N 3.29Å; L379-L382 HydrophobicContact CB-CB 4.18Å; L379-L382 HydrophobicContact CD1-CD2 4.22Å; L379-S383 WeakPolarHBondContact O-CB 3.32Å; L379-S383 PolarHBondContact O-N 3.37Å; L379-S383 PolarHBondContact O-OG 3.2Å; L379-F478 HydrophobicContact CD1-CZ 3.84Å
380	P	96.4	Very high	96.5	Very high	69 Å²	69	41 Å²	41	45%	0.448	20%	0.2	S	C	.	.	H	α-helix	trans	-63.6	-32.1	-179	26.1	-36.3	0	0	0	114.1	E361 R378 S383 S384	E361-P380 WeakPolarHBondContact OE1-CD 3.37Å; E361-P380 WeakPolarHBondContact OE1-CG 3.34Å; E361-P380 VanDerWaalsContact OE1-N 3.11Å; R378-P380 VanDerWaalsContact O-CD 3.27Å; R378-P380 WeakPolarHBondContact O-CD 2.99Å; P380-S383 PolarHBondContact O-N 2.68Å; P380-S384 VanDerWaalsContact O-CB 3.24Å; P380-S384 WeakPolarHBondContact O-CB 3.4Å; P380-S384 PolarHBondContact O-N 3.34Å; P380-S384 PolarHBondContact O-OG 2.77Å
381	V	97.8	Very high	96.6	Very high	28 Å²	28	37.7 Å²	37.7	17%	0.17	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-48.8	178.1	-176.9	0	0	0	0	109.9	V358 E361 L379 S383 S384 L385	V358-V381 HydrophobicContact CG2-CG1 3.84Å; E361-V381 HydrophobicContact CB-CB 4.42Å; E361-V381 HydrophobicContact CB-CG2 4.5Å; E361-V381 VanDerWaalsContact CD-CB 3.49Å; E361-V381 WeakPolarHBondContact OE1-CB 3.29Å; E361-V381 VanDerWaalsContact OE1-CG2 3.28Å; E361-V381 WeakPolarHBondContact OE1-CG2 3.47Å; E361-V381 PolarHBondContact OE1-N 3.31Å; E361-V381 WeakPolarHBondContact OE2-CB 3.42Å; E361-V381 PolarHBondContact OE2-N 2.65Å; L379-V381 PolarHBondContact O-N 3.29Å; V381-S383 VanDerWaalsContact C-N 3.34Å; V381-S383 PolarHBondContact O-N 2.6Å; V381-S384 WeakPolarHBondContact O-CB 3.31Å; V381-S384 PolarHBondContact O-N 3.03Å; V381-L385 PolarHBondContact O-N 3.08Å
382	L	98.4	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.4	-44.5	173.3	174.3	61.5	0	0	0	112	V358 E361 L362 L379 S384 L385 I386 F478 T481 A482	V358-L382 HydrophobicContact CG1-CB 4.24Å; V358-L382 HydrophobicContact CG1-CD1 4.12Å; E361-L382 PolarHBondContact OE2-N 3.37Å; L362-L382 HydrophobicContact CD2-CD2 4.44Å; L379-L382 HydrophobicContact CB-CB 4.18Å; L379-L382 HydrophobicContact CD1-CD2 4.22Å; L382-S384 PolarHBondContact O-N 3.46Å; L382-L385 HydrophobicContact CD1-CD2 4.43Å; L382-L385 WeakPolarHBondContact O-CB 3.04Å; L382-L385 PolarHBondContact O-N 2.84Å; L382-I386 HydrophobicContact CD1-CD1 4.03Å; L382-I386 HydrophobicContact CD1-CG1 4.31Å; L382-I386 HydrophobicContact CG-CD1 3.97Å; L382-I386 WeakPolarHBondContact O-CG1 3.38Å; L382-I386 PolarHBondContact O-N 2.84Å; L382-F478 HydrophobicContact CD2-CD2 3.91Å; L382-F478 HydrophobicContact CD2-CE2 3.54Å; L382-F478 HydrophobicContact CD2-CZ 3.91Å; L382-F478 HydrophobicContact CG-CD2 4.33Å; L382-F478 HydrophobicContact CG-CE2 4.16Å; L382-T481 HydrophobicContact CD1-CG2 3.63Å; L382-A482 HydrophobicContact CD2-CB 3.63Å
383	S	97.4	Very high	96.8	Very high	34 Å²	34	33.7 Å²	33.7	24%	0.238	17%	0.168	C	C	.	.	H	α-helix	trans	-62.8	-33.6	179.2	-61.4	0	0	0	0	112.3	R376 L379 P380 V381 S387	R376-S383 PolarHBondContact O-OG 3.28Å; L379-S383 WeakPolarHBondContact O-CB 3.32Å; L379-S383 PolarHBondContact O-N 3.37Å; L379-S383 PolarHBondContact O-OG 3.2Å; P380-S383 PolarHBondContact O-N 2.68Å; V381-S383 VanDerWaalsContact C-N 3.34Å; V381-S383 PolarHBondContact O-N 2.6Å; S383-S387 WeakPolarHBondContact O-CB 3.3Å; S383-S387 PolarHBondContact O-N 3.02Å; S383-S387 PolarHBondContact O-OG 2.77Å
384	S	97.5	Very high	96.9	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	16%	0.16	C	C	.	.	H	α-helix	trans	-71.8	-42	176.9	-61.7	0	0	0	0	112	P380 V381 L382 I386 S387 E388 P443 Q447	P380-S384 VanDerWaalsContact O-CB 3.24Å; P380-S384 WeakPolarHBondContact O-CB 3.4Å; P380-S384 PolarHBondContact O-N 3.34Å; P380-S384 PolarHBondContact O-OG 2.77Å; V381-S384 WeakPolarHBondContact O-CB 3.31Å; V381-S384 PolarHBondContact O-N 3.03Å; L382-S384 PolarHBondContact O-N 3.46Å; S384-I386 VanDerWaalsContact C-N 3.33Å; S384-I386 PolarHBondContact O-N 3.33Å; S384-S387 PolarHBondContact O-N 3.33Å; S384-E388 WeakPolarHBondContact O-CB 3.4Å; S384-E388 PolarHBondContact O-N 3.15Å; S384-P443 VanDerWaalsContact CB-O 3.3Å; S384-P443 WeakPolarHBondContact CB-O 3.27Å; S384-Q447 WeakPolarHBondContact OG-CG 3.44Å
385	L	98.3	Very high	96.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-54.4	-49.6	170.1	166.7	62.9	0	0	0	111	L348 V354 V358 V381 L382 S387 E388 M389 F441 P443 T481 L485	L348-L385 HydrophobicContact CD2-CD1 4.13Å; L348-L385 HydrophobicContact CD2-CD2 4.3Å; V354-L385 HydrophobicContact CG1-CD1 4.12Å; V358-L385 HydrophobicContact CG2-CD2 4.06Å; V381-L385 PolarHBondContact O-N 3.08Å; L382-L385 HydrophobicContact CD1-CD2 4.43Å; L382-L385 WeakPolarHBondContact O-CB 3.04Å; L382-L385 PolarHBondContact O-N 2.84Å; L385-S387 VanDerWaalsContact C-N 3.34Å; L385-S387 PolarHBondContact O-N 2.86Å; L385-E388 PolarHBondContact O-N 3.26Å; L385-M389 HydrophobicContact CD1-CG 4.02Å; L385-M389 WeakPolarHBondContact O-CG 3.34Å; L385-M389 PolarHBondContact O-N 3.35Å; L385-F441 HydrophobicContact CD1-CE2 3.96Å; L385-F441 HydrophobicContact CD1-CZ 3.49Å; L385-F441 VanDerWaalsContact CD1-CZ 3.49Å; L385-P443 HydrophobicContact CD1-CG 4.35Å; L385-T481 HydrophobicContact CD2-CG2 3.97Å; L385-L485 HydrophobicContact CD2-CD1 3.79Å
386	I	98.2	Very high	96.8	Very high	17 Å²	17	30.8 Å²	30.8	9%	0.087	16%	0.156	C	C	.	.	H	α-helix	trans	-62.1	-45.2	-177.8	-66.7	161.6	0	0	0	111	W340 L382 S384 M389 L390 F478	W340-I386 HydrophobicContact CH2-CB 4.36Å; W340-I386 HydrophobicContact CH2-CG1 3.93Å; W340-I386 HydrophobicContact CH2-CG2 4.32Å; W340-I386 HydrophobicContact CZ2-CB 4.2Å; W340-I386 HydrophobicContact CZ2-CG1 4.28Å; W340-I386 HydrophobicContact CZ2-CG2 3.94Å; L382-I386 HydrophobicContact CD1-CD1 4.03Å; L382-I386 HydrophobicContact CD1-CG1 4.31Å; L382-I386 HydrophobicContact CG-CD1 3.97Å; L382-I386 WeakPolarHBondContact O-CG1 3.38Å; L382-I386 PolarHBondContact O-N 2.84Å; S384-I386 VanDerWaalsContact C-N 3.33Å; S384-I386 PolarHBondContact O-N 3.33Å; I386-M389 PolarHBondContact O-N 3.05Å; I386-L390 HydrophobicContact CG2-CD1 4.04Å; I386-L390 WeakPolarHBondContact O-CB 3.36Å; I386-L390 WeakPolarHBondContact O-CG 3.48Å; I386-L390 PolarHBondContact O-N 2.99Å; I386-F478 HydrophobicContact CD1-CB 4Å; I386-F478 HydrophobicContact CD1-CD2 3.72Å; I386-F478 HydrophobicContact CD1-CG 4.29Å
387	S	97.8	Very high	96.8	Very high	31 Å²	31	25.8 Å²	25.8	22%	0.217	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-41.7	-180	-60.3	0	0	0	0	112	S383 S384 L385 L390 R391	S383-S387 WeakPolarHBondContact O-CB 3.3Å; S383-S387 PolarHBondContact O-N 3.02Å; S383-S387 PolarHBondContact O-OG 2.77Å; S384-S387 PolarHBondContact O-N 3.33Å; L385-S387 VanDerWaalsContact C-N 3.34Å; L385-S387 PolarHBondContact O-N 2.86Å; S387-L390 PolarHBondContact O-N 3.22Å; S387-R391 WeakPolarHBondContact O-CB 3.48Å; S387-R391 PolarHBondContact O-N 3.32Å
388	E	98.1	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.7	-40.4	177.4	-179.4	67.4	173.5	0	0	112.1	S384 L385 R391 L392 S440 F441 K442 R445 F446	S384-E388 WeakPolarHBondContact O-CB 3.4Å; S384-E388 PolarHBondContact O-N 3.15Å; L385-E388 PolarHBondContact O-N 3.26Å; E388-R391 WeakPolarHBondContact O-CB 3.37Å; E388-R391 PolarHBondContact O-N 3.18Å; E388-R391 IonicContact OE1-CZ 3.57Å; E388-R391 IonicContact OE1-NE 2.77Å; E388-R391 IonicContact OE1-NH2 3.51Å; E388-R391 PolarHBondContact OE1-NH2 3.22Å; E388-R391 IonicContact OE2-CZ 3.61Å; E388-R391 IonicContact OE2-NE 2.78Å; E388-R391 PolarHBondContact OE2-NE 3.32Å; E388-R391 IonicContact OE2-NH2 3.6Å; E388-L392 VanDerWaalsContact O-CB 3.24Å; E388-L392 WeakPolarHBondContact O-CB 3.28Å; E388-L392 PolarHBondContact O-N 3Å; E388-S440 VanDerWaalsContact OE1-O 3.1Å; E388-F441 HydrophobicContact CB-CE2 4.45Å; E388-F441 HydrophobicContact CG-CD2 3.67Å; E388-F441 HydrophobicContact CG-CE2 3.92Å; E388-K442 PolarHBondContact OE1-N 2.97Å; E388-R445 IonicContact OE1-NE 3.34Å; E388-R445 IonicContact OE2-NE 2.77Å; E388-R445 PolarHBondContact OE2-NE 3.4Å; E388-F446 HydrophobicContact CB-CD2 4.05Å; E388-F446 HydrophobicContact CB-CE2 4.13Å; E388-F446 WeakPolarHBondContact OE2-CE2 3.49Å
389	M	98	Very high	96.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64	-43.1	175.6	-78.1	-53.4	-48.6	0	0	112.3	W340 W343 T344 F347 L385 I386 R391 L392 R393 F441	W340-M389 HydrophobicContact CH2-CB 4.42Å; W340-M389 HydrophobicContact CZ2-CB 3.51Å; W340-M389 HydrophobicContact CZ2-CG 4.26Å; W343-M389 HydrophobicContact CB-CE 3.64Å; T344-M389 HydrophobicContact CG2-CG 4.34Å; F347-M389 HydrophobicContact CB-SD 3.82Å; F347-M389 HydrophobicContact CD2-CE 3.62Å; F347-M389 HydrophobicContact CD2-SD 3.79Å; F347-M389 HydrophobicContact CE2-CE 4.22Å; F347-M389 HydrophobicContact CG-CE 4.33Å; F347-M389 HydrophobicContact CG-SD 3.89Å; L385-M389 HydrophobicContact CD1-CG 4.02Å; L385-M389 WeakPolarHBondContact O-CG 3.34Å; L385-M389 PolarHBondContact O-N 3.35Å; I386-M389 PolarHBondContact O-N 3.05Å; M389-R391 VanDerWaalsContact C-N 3.25Å; M389-R391 PolarHBondContact O-N 2.95Å; M389-L392 PolarHBondContact O-N 3.22Å; M389-R393 HydrophobicContact CE-CB 4.42Å; M389-R393 PolarHBondContact O-N 3.45Å; M389-F441 HydrophobicContact CG-CE2 4.07Å; M389-F441 HydrophobicContact SD-CD2 4.11Å; M389-F441 HydrophobicContact SD-CE2 3.59Å; M389-F441 VanDerWaalsContact SD-CE2 3.59Å; M389-F441 HydrophobicContact SD-CZ 4.16Å
390	L	97.6	Very high	96.6	Very high	13 Å²	13	18.4 Å²	18.4	7%	0.068	12%	0.116	C	C	.	.	H	α-helix	trans	-62	-31.7	174.5	-75.4	171.5	0	0	0	113.1	I386 S387 L457 P459 F460 L477	I386-L390 HydrophobicContact CG2-CD1 4.04Å; I386-L390 WeakPolarHBondContact O-CB 3.36Å; I386-L390 WeakPolarHBondContact O-CG 3.48Å; I386-L390 PolarHBondContact O-N 2.99Å; S387-L390 PolarHBondContact O-N 3.22Å; L390-L457 HydrophobicContact CB-CD1 4.48Å; L390-P459 HydrophobicContact CB-CB 3.91Å; L390-P459 HydrophobicContact CB-CG 3.97Å; L390-P459 HydrophobicContact CD1-CG 4.15Å; L390-P459 HydrophobicContact CD2-CB 4.05Å; L390-P459 HydrophobicContact CD2-CG 4.34Å; L390-P459 HydrophobicContact CG-CB 4.44Å; L390-P459 HydrophobicContact CG-CG 4.39Å; L390-F460 HydrophobicContact CD1-CE2 4.23Å; L390-F460 HydrophobicContact CD1-CZ 4.47Å; L390-F460 HydrophobicContact CD2-CZ 4.22Å; L390-L477 HydrophobicContact CD2-CD1 3.89Å; L390-L477 HydrophobicContact CG-CD1 4.41Å
391	R	97.7	Very high	96.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-74.9	-52.5	175.3	-172.5	-161.4	66.3	76.8	-2.4	111.6	S387 E388 M389 P394 H429 W435 P438 S440 F446 L457	S387-R391 WeakPolarHBondContact O-CB 3.48Å; S387-R391 PolarHBondContact O-N 3.32Å; E388-R391 WeakPolarHBondContact O-CB 3.37Å; E388-R391 PolarHBondContact O-N 3.18Å; E388-R391 IonicContact OE1-CZ 3.57Å; E388-R391 IonicContact OE1-NE 2.77Å; E388-R391 IonicContact OE1-NH2 3.51Å; E388-R391 PolarHBondContact OE1-NH2 3.22Å; E388-R391 IonicContact OE2-CZ 3.61Å; E388-R391 IonicContact OE2-NE 2.78Å; E388-R391 PolarHBondContact OE2-NE 3.32Å; E388-R391 IonicContact OE2-NH2 3.6Å; M389-R391 VanDerWaalsContact C-N 3.25Å; M389-R391 PolarHBondContact O-N 2.95Å; R391-P394 WeakPolarHBondContact O-CD 3.46Å; R391-H429 HydrophobicContact CG-CB 3.86Å; R391-H429 PolarHBondContact NH1-O 3.28Å; R391-H429 WeakPolarHBondContact O-CB 3.34Å; R391-H429 PolarHBondContact O-ND1 3.2Å; R391-W435 VanDerWaalsContact CD-CE3 3.48Å; R391-W435 HydrophobicContact CG-CD2 4.43Å; R391-W435 HydrophobicContact CG-CH2 4.19Å; R391-W435 HydrophobicContact CG-CZ2 4.02Å; R391-W435 HydrophobicContact CG-CZ3 4.49Å; R391-P438 PolarHBondContact NH1-O 3.31Å; R391-P438 PolarHBondContact NH2-O 3.43Å; R391-S440 PolarHBondContact NH2-O 3.42Å; R391-F446 HydrophobicContact CB-CE2 4.43Å; R391-F446 HydrophobicContact CB-CZ 4.39Å; R391-L457 HydrophobicContact CB-CD1 3.73Å; R391-L457 HydrophobicContact CG-CD1 4.32Å
392	L	97.1	Very high	96.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-75.2	-34.6	-167.7	-175.4	66.4	0	0	0	111.9	F347 E388 M389 H430 F441	F347-L392 HydrophobicContact CD1-CD2 3.98Å; F347-L392 HydrophobicContact CE1-CD2 3.32Å; F347-L392 HydrophobicContact CE1-CG 4.39Å; F347-L392 HydrophobicContact CE2-CD2 4.21Å; F347-L392 HydrophobicContact CZ-CD2 3.45Å; F347-L392 VanDerWaalsContact CZ-CD2 3.45Å; F347-L392 HydrophobicContact CZ-CG 4.09Å; E388-L392 VanDerWaalsContact O-CB 3.24Å; E388-L392 WeakPolarHBondContact O-CB 3.28Å; E388-L392 PolarHBondContact O-N 3Å; M389-L392 PolarHBondContact O-N 3.22Å; L392-H430 PolarHBondContact O-CE1 3.5Å; L392-H430 VanDerWaalsContact O-CE1 3.24Å; L392-F441 HydrophobicContact CD2-CB 3.63Å; L392-F441 HydrophobicContact CD2-CD2 3.93Å; L392-F441 HydrophobicContact CD2-CG 4.18Å
393	R	96.4	Very high	96.5	Very high	32 Å²	32	17.6 Å²	17.6	12%	0.121	11%	0.108	C	C	.	.	S	Bend	trans	-130.5	75.5	176.4	-65.8	-62	179.4	-96.7	5.4	110.2	W343 F347 M389 V395 L502 L510	W343-R393 HydrophobicContact CD2-CB 4.1Å; W343-R393 HydrophobicContact CD2-CG 3.74Å; W343-R393 HydrophobicContact CE3-CG 3.76Å; W343-R393 HydrophobicContact CG-CB 4.07Å; W343-R393 HydrophobicContact CG-CG 4.18Å; W343-R393 HydrophobicContact CH2-CG 4.4Å; W343-R393 HydrophobicContact CZ2-CG 4.41Å; W343-R393 HydrophobicContact CZ3-CG 4.09Å; F347-R393 HydrophobicContact CE2-CG 3.57Å; F347-R393 HydrophobicContact CZ-CG 4.14Å; M389-R393 HydrophobicContact CE-CB 4.42Å; M389-R393 PolarHBondContact O-N 3.45Å; R393-V395 PolarHBondContact O-N 3.01Å; R393-L502 PolarHBondContact NH2-O 3.43Å; R393-L510 HydrophobicContact CB-CD2 4.49Å
394	P	95.3	Very high	96.5	Very high	1 Å²	1	16 Å²	16	1%	0.006	10%	0.096	C	C	.	.			trans	-62.9	124.6	174.7	26.4	-32.3	0	0	0	109.1	R391 A396 P397 F426	R391-P394 WeakPolarHBondContact O-CD 3.46Å; P394-A396 PolarHBondContact O-N 2.82Å; P394-P397 HydrophobicContact CG-CB 4.23Å; P394-P397 WeakPolarHBondContact O-CD 3.48Å; P394-F426 HydrophobicContact CG-CB 4.26Å; P394-F426 HydrophobicContact CG-CD2 4.37Å
395	V	93.6	Very high	96.5	Very high	20 Å²	20	17.6 Å²	17.6	12%	0.121	10%	0.104	C	C	.	.	S	Bend	trans	-58.1	-32.9	-176.1	-65.3	0	0	0	0	112.7	T336 W340 R393 P397 V509 L510	T336-V395 HydrophobicContact CG2-CG2 4.35Å; T336-V395 WeakPolarHBondContact O-CG1 3.37Å; W340-V395 HydrophobicContact CB-CG1 3.91Å; R393-V395 PolarHBondContact O-N 3.01Å; V395-P397 WeakPolarHBondContact O-CD 3.49Å; V395-V509 CarbonylContact O-C 3.58Å; V395-V509 VanDerWaalsContact O-CA 3.25Å; V395-V509 WeakPolarHBondContact O-CA 3.38Å; V395-L510 PolarHBondContact O-N 2.81Å
396	A	94	Very high	96.4	Very high	31 Å²	31	23.7 Å²	23.7	26%	0.256	13%	0.127	S	C	.	.	S	Bend	trans	-118.6	81.2	174	0	0	0	0	0	109.6	P394 L398 A399	P394-A396 PolarHBondContact O-N 2.82Å; A396-L398 VanDerWaalsContact C-N 3.26Å; A396-L398 PolarHBondContact O-N 3.02Å; A396-L398 VanDerWaalsContact O-N 3.17Å; A396-A399 PolarHBondContact O-N 3.43Å
397	P	95.1	Very high	96.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.019	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.6	-166.3	25.8	-36.3	0	0	0	114.3	P86 P394 V395 L425 F426 L510	P86-P397 HydrophobicContact CB-CB 3.8Å; P86-P397 HydrophobicContact CB-CG 4.17Å; P86-P397 HydrophobicContact CG-CB 3.73Å; P86-P397 HydrophobicContact CG-CG 3.5Å; P394-P397 HydrophobicContact CG-CB 4.23Å; P394-P397 WeakPolarHBondContact O-CD 3.48Å; V395-P397 WeakPolarHBondContact O-CD 3.49Å; P397-L425 WeakPolarHBondContact O-CA 3.46Å; P397-L425 WeakPolarHBondContact O-CB 3.44Å; P397-L425 PolarHBondContact O-N 3.37Å; P397-F426 HydrophobicContact CB-CB 3.78Å; P397-F426 PolarHBondContact O-N 3.46Å; P397-L510 HydrophobicContact CG-CB 4.12Å
398	L	95.1	Very high	96.4	Very high	29 Å²	29	26.8 Å²	26.8	15%	0.152	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	13.3	175.7	-62.9	179.2	0	0	0	113.5	L85 P86 L89 A396 I422 P423 N424	L85-L398 HydrophobicContact CB-CD1 4.44Å; L85-L398 HydrophobicContact CD2-CD1 3.71Å; L85-L398 HydrophobicContact CG-CD1 3.83Å; P86-L398 HydrophobicContact CB-CD2 4.05Å; P86-L398 HydrophobicContact CB-CG 4.16Å; P86-L398 HydrophobicContact CG-CD1 4.24Å; P86-L398 HydrophobicContact CG-CD2 4.43Å; P86-L398 HydrophobicContact CG-CG 4Å; L89-L398 HydrophobicContact CD1-CD1 3.9Å; L89-L398 HydrophobicContact CD1-CD2 3.81Å; A396-L398 VanDerWaalsContact C-N 3.26Å; A396-L398 PolarHBondContact O-N 3.02Å; A396-L398 VanDerWaalsContact O-N 3.17Å; L398-I422 HydrophobicContact CB-CG2 4.28Å; L398-I422 HydrophobicContact CD2-CG2 4.31Å; L398-P423 CarbonylContact C-O 3.56Å; L398-P423 VanDerWaalsContact CA-O 3.29Å; L398-P423 WeakPolarHBondContact CA-O 3.48Å; L398-N424 HydrophobicContact CD2-CB 3.9Å; L398-N424 WeakPolarHBondContact CD2-OD1 3.38Å
399	A	94.7	Very high	96.4	Very high	26 Å²	26	28.7 Å²	28.7	22%	0.215	16%	0.156	C	C	.	.			trans	46.6	-160.3	-167	0	0	0	0	0	111.7	A396 P423 L425	A396-A399 PolarHBondContact O-N 3.43Å; A399-P423 HydrophobicContact CB-CB 4.09Å; A399-P423 HydrophobicContact CB-CG 4.13Å; A399-L425 HydrophobicContact CB-CD1 3.99Å; A399-L425 HydrophobicContact CB-CG 4.2Å
400	V	93.3	Very high	96.4	Very high	48 Å²	48	28.7 Å²	28.7	29%	0.291	16%	0.156	S	C	.	.	S	Bend	trans	-97.6	129.8	165.5	-179.3	0	0	0	0	107.6	R132 L150 H402	R132-V400 VanDerWaalsContact CZ-CG1 3.45Å; R132-V400 PolarHBondContact NH1-O 3.39Å; L150-V400 HydrophobicContact CD2-CG1 4.11Å; V400-H402 PolarHBondContact O-CD2 2.95Å
401	P	95.1	Very high	96.3	Very high	47 Å²	47	30.1 Å²	30.1	31%	0.305	17%	0.17	S	C	.	.			trans	-54.4	145.8	-179.6	-29.4	36.4	0	0	0	113.8	R132 P133 V420 I421	R132-P401 WeakPolarHBondContact CD-O 3.19Å; R132-P401 PolarHBondContact NH1-O 3.2Å; P133-P401 WeakPolarHBondContact CD-O 3.42Å; P133-P401 HydrophobicContact CG-CB 3.86Å; P401-V420 HydrophobicContact CB-CG1 4.04Å; P401-I421 WeakPolarHBondContact CA-O 3.39Å
402	H	98.1	Very high	96.1	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.046	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	166.7	179.3	-78.5	-109.4	0	0	0	110.6	F129 G131 R132 V400 V420 I421	F129-H402 WeakPolarHBondContact O-CB 3.5Å; F129-H402 PolarHBondContact O-ND1 3.26Å; G131-H402 CarbonylContact O-C 3.23Å; G131-H402 WeakPolarHBondContact O-CA 3.15Å; R132-H402 PolarHBondContact NH1-CD2 3.4Å; R132-H402 VanDerWaalsContact NH1-CD2 3.29Å; R132-H402 PolarHBondContact NH1-NE2 2.9Å; V400-H402 PolarHBondContact O-CD2 2.95Å; H402-V420 CarbonylContact O-C 3.44Å; H402-V420 VanDerWaalsContact O-CA 3.27Å; H402-V420 WeakPolarHBondContact O-CA 3.37Å; H402-I421 HydrophobicContact CB-CB 4.02Å; H402-I421 PolarHBondContact N-O 3.05Å; H402-I421 PolarHBondContact O-N 3.19Å
403	R	97.6	Very high	96.1	Very high	22 Å²	22	35.6 Å²	35.6	8%	0.083	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.2	174.1	-176.8	180	62	87.9	6.2	110.2	G131 R132 D152 I405 N418 T419	G131-R403 WeakPolarHBondContact CA-O 3.3Å; G131-R403 PolarHBondContact N-O 3.46Å; G131-R403 PolarHBondContact O-N 3.26Å; R132-R403 WeakPolarHBondContact O-CB 3.35Å; R132-R403 WeakPolarHBondContact O-CD 3.33Å; R132-R403 PolarHBondContact O-NE 3.18Å; D152-R403 VanDerWaalsContact CG-NH2 3.32Å; D152-R403 IonicContact OD1-NH2 3.38Å; D152-R403 PolarHBondContact OD1-NH2 2.84Å; D152-R403 IonicContact OD2-CZ 2.8Å; D152-R403 IonicContact OD2-NH2 3.13Å; D152-R403 PolarHBondContact OD2-NH2 3.01Å; R403-I405 PolarHBondContact O-N 3.42Å; R403-N418 PolarHBondContact NH1-OD1 3.45Å; R403-T419 WeakPolarHBondContact CA-O 3.34Å
404	A	98.3	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.			trans	-64.7	114.5	169.4	0	0	0	0	0	110	D128 F129 R406 I415 N418 T419	D128-A404 CarbonylContact O-C 3.49Å; D128-A404 VanDerWaalsContact O-CA 3.3Å; D128-A404 WeakPolarHBondContact O-CA 3.37Å; F129-A404 HydrophobicContact CD1-CB 3.9Å; F129-A404 HydrophobicContact CE1-CB 3.84Å; A404-R406 VanDerWaalsContact C-N 3.32Å; A404-I415 HydrophobicContact CB-CG2 4.21Å; A404-N418 PolarHBondContact O-N 3.2Å; A404-T419 PolarHBondContact N-O 3.35Å
405	I	97.3	Very high	96.2	Very high	39 Å²	39	37.7 Å²	37.7	20%	0.2	22%	0.218	C	C	.	.	S	Bend	trans	-80.7	-18.6	-180	67.7	170.9	0	0	0	112.5	S127 D128 R403 K417	S127-I405 WeakPolarHBondContact O-CD1 3.49Å; S127-I405 WeakPolarHBondContact O-CG1 3.45Å; D128-I405 WeakPolarHBondContact O-CG1 3.49Å; D128-I405 PolarHBondContact O-N 3.43Å; R403-I405 PolarHBondContact O-N 3.42Å; I405-K417 WeakPolarHBondContact O-CD 3.28Å; I405-K417 WeakPolarHBondContact O-CE 3.28Å; I405-K417 WeakPolarHBondContact O-CG 3.33Å
406	R	97.3	Very high	96.3	Very high	128 Å²	128	39.4 Å²	39.4	48%	0.483	23%	0.23	S	C	.	.	S	Bend	trans	-145.6	166.3	175.8	69.1	-174.6	89.8	-164.3	5.5	109.8	S127 D128 A404 S408	S127-R406 PolarHBondContact O-NH2 3.18Å; D128-R406 HydrophobicContact CB-CG 4.31Å; D128-R406 WeakPolarHBondContact OD1-CD 3.15Å; D128-R406 IonicContact OD1-CZ 2.66Å; D128-R406 IonicContact OD1-NE 3.27Å; D128-R406 PolarHBondContact OD1-NE 2.87Å; A404-R406 VanDerWaalsContact C-N 3.32Å; R406-S408 PolarHBondContact O-N 3.01Å
407	D	98.2	Very high	96.5	Very high	96 Å²	96	43.3 Å²	43.3	51%	0.513	24%	0.241	S	C	.	.	S	Bend	trans	-61.5	132.7	170.9	-72.6	-1.8	0	0	0	109.8	F414 K417	D407-F414 HydrophobicContact CB-CE2 3.92Å; D407-F414 HydrophobicContact CB-CZ 3.97Å; D407-K417 WeakPolarHBondContact OD1-CB 3.44Å; D407-K417 PolarHBondContact OD1-N 2.91Å
408	S	97.8	Very high	96.5	Very high	17 Å²	17	47.1 Å²	47.1	12%	0.119	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	-160	-178.3	-168.9	0	0	0	0	110.5	D128 R406 F414 I415	D128-S408 WeakPolarHBondContact OD2-CB 3.37Å; D128-S408 PolarHBondContact OD2-OG 3.42Å; R406-S408 PolarHBondContact O-N 3.01Å; S408-F414 WeakPolarHBondContact O-CD2 3.35Å; S408-I415 PolarHBondContact N-O 3.4Å; S408-I415 PolarHBondContact O-N 3.2Å
409	S	97.4	Very high	96.6	Very high	41 Å²	41	46 Å²	46	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	154.1	175.1	62.5	0	0	0	0	112.1	K125 Y413	K125-S409 WeakPolarHBondContact CD-O 2.98Å; K125-S409 PolarHBondContact NZ-O 3.29Å; K125-S409 PolarHBondContact NZ-OG 3.31Å; S409-Y413 CarbonylContact C-O 3.58Å; S409-Y413 WeakPolarHBondContact CA-O 3.46Å; S409-Y413 WeakPolarHBondContact CB-O 3.25Å
410	I	97.4	Very high	96.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.8	172	-65.7	171.3	0	0	0	107.3	L112 V117 A121 F129 G412 Y413 I415 I421	L112-I410 HydrophobicContact CD1-CD1 4.36Å; L112-I410 HydrophobicContact CD2-CD1 4.28Å; L112-I410 HydrophobicContact CD2-CG2 4Å; V117-I410 HydrophobicContact CG1-CG2 3.34Å; A121-I410 HydrophobicContact CB-CD1 3.8Å; A121-I410 HydrophobicContact CB-CG1 4.22Å; F129-I410 HydrophobicContact CD1-CD1 4.37Å; F129-I410 HydrophobicContact CE1-CD1 3.81Å; F129-I410 HydrophobicContact CE1-CG1 4.24Å; F129-I410 HydrophobicContact CE2-CD1 4Å; F129-I410 HydrophobicContact CE2-CG1 3.76Å; F129-I410 HydrophobicContact CZ-CD1 3.6Å; F129-I410 HydrophobicContact CZ-CG1 3.51Å; I410-G412 PolarHBondContact O-N 2.92Å; I410-G412 VanDerWaalsContact O-N 3.14Å; I410-Y413 PolarHBondContact N-O 2.99Å; I410-Y413 WeakPolarHBondContact O-CB 3.33Å; I410-Y413 PolarHBondContact O-N 3.48Å; I410-I415 HydrophobicContact CB-CD1 4.36Å; I410-I415 HydrophobicContact CB-CG1 4.05Å; I410-I415 HydrophobicContact CD1-CG1 4.08Å; I410-I415 HydrophobicContact CG1-CG1 3.93Å; I410-I421 HydrophobicContact CD1-CD1 4.02Å; I410-I421 HydrophobicContact CD1-CG1 4.49Å; I410-I421 HydrophobicContact CD1-CG2 4.41Å
411	A	95.3	Very high	97	Very high	43 Å²	43	43.1 Å²	43.1	36%	0.355	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	37.6	-178	0	0	0	0	0	113.5	V99 V117 E120 Y413	V99-A411 HydrophobicContact CG2-CB 3.97Å; V117-A411 HydrophobicContact CG2-CB 4.2Å; E120-A411 PolarHBondContact OE1-N 2.86Å; E120-A411 PolarHBondContact OE2-N 2.68Å; A411-Y413 HydrophobicContact CB-CD2 4.28Å; A411-Y413 WeakPolarHBondContact O-CD2 3.31Å; A411-Y413 PolarHBondContact O-N 3.29Å
412	G	93.8	Very high	97.1	Very high	56 Å²	56	41.5 Å²	41.5	58%	0.577	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.8	-12.3	-177.5	0	0	0	0	0	115.5	I410	I410-G412 PolarHBondContact O-N 2.92Å; I410-G412 VanDerWaalsContact O-N 3.14Å
413	Y	96.5	Very high	97.1	Very high	59 Å²	59	41 Å²	41	23%	0.231	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.7	175.3	-64	-79.9	0	0	0	111.5	P63 L65 V99 S409 I410 A411	P63-Y413 HydrophobicContact CB-CD1 4.14Å; P63-Y413 HydrophobicContact CB-CE1 3.88Å; P63-Y413 HydrophobicContact CG-CD1 4.2Å; P63-Y413 HydrophobicContact CG-CE1 4.29Å; P63-Y413 WeakPolarHBondContact O-CD1 3.18Å; L65-Y413 HydrophobicContact CD2-CD1 3.91Å; L65-Y413 HydrophobicContact CD2-CD2 4.01Å; L65-Y413 HydrophobicContact CD2-CG 3.55Å; L65-Y413 HydrophobicContact CG-CD1 4.12Å; L65-Y413 HydrophobicContact CG-CG 4.14Å; V99-Y413 HydrophobicContact CB-CD2 4.49Å; V99-Y413 HydrophobicContact CG1-CD2 4.44Å; S409-Y413 CarbonylContact C-O 3.58Å; S409-Y413 WeakPolarHBondContact CA-O 3.46Å; S409-Y413 WeakPolarHBondContact CB-O 3.25Å; I410-Y413 PolarHBondContact N-O 2.99Å; I410-Y413 WeakPolarHBondContact O-CB 3.33Å; I410-Y413 PolarHBondContact O-N 3.48Å; A411-Y413 HydrophobicContact CB-CD2 4.28Å; A411-Y413 WeakPolarHBondContact O-CD2 3.31Å; A411-Y413 PolarHBondContact O-N 3.29Å
414	F	96.9	Very high	97.1	Very high	76 Å²	76	40 Å²	40	33%	0.333	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	129.5	173.4	179.8	-113.4	0	0	0	111.1	K62 D407 S408 P416	K62-F414 HydrophobicContact CD-CB 3.9Å; K62-F414 HydrophobicContact CD-CG 4.34Å; D407-F414 HydrophobicContact CB-CE2 3.92Å; D407-F414 HydrophobicContact CB-CZ 3.97Å; S408-F414 WeakPolarHBondContact O-CD2 3.35Å; F414-P416 HydrophobicContact CD1-CG 4.19Å; F414-P416 HydrophobicContact CE1-CB 4.4Å; F414-P416 HydrophobicContact CE1-CG 3.89Å
415	I	97.8	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.3	179.9	-51.3	-59.3	0	0	0	108.8	L65 V110 F129 A404 S408 I410 T419 I421	L65-I415 HydrophobicContact CD1-CD1 3.92Å; L65-I415 HydrophobicContact CD2-CD1 4.37Å; V110-I415 HydrophobicContact CG1-CD1 4.46Å; V110-I415 HydrophobicContact CG2-CD1 4.26Å; F129-I415 HydrophobicContact CE1-CB 4.3Å; F129-I415 HydrophobicContact CE1-CG2 3.91Å; F129-I415 HydrophobicContact CZ-CB 4.43Å; A404-I415 HydrophobicContact CB-CG2 4.21Å; S408-I415 PolarHBondContact N-O 3.4Å; S408-I415 PolarHBondContact O-N 3.2Å; I410-I415 HydrophobicContact CB-CD1 4.36Å; I410-I415 HydrophobicContact CB-CG1 4.05Å; I410-I415 HydrophobicContact CD1-CG1 4.08Å; I410-I415 HydrophobicContact CG1-CG1 3.93Å; I415-T419 HydrophobicContact CG2-CG2 3.98Å; I415-I421 HydrophobicContact CG2-CD1 3.97Å
416	P	96.6	Very high	97.1	Very high	56 Å²	56	38.8 Å²	38.8	36%	0.364	21%	0.212	S	C	.	.			trans	-64.3	150.3	176.4	-20.8	31.7	0	0	0	112.3	F414 T419	F414-P416 HydrophobicContact CD1-CG 4.19Å; F414-P416 HydrophobicContact CE1-CB 4.4Å; F414-P416 HydrophobicContact CE1-CG 3.89Å; P416-T419 WeakPolarHBondContact O-CB 3.36Å; P416-T419 PolarHBondContact O-N 3.26Å; P416-T419 VanDerWaalsContact O-N 3.16Å; P416-T419 PolarHBondContact O-OG1 3.4Å
417	K	97.1	Very high	97	Very high	113 Å²	113	32.8 Å²	32.8	49%	0.491	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	145.1	166.7	-180	174.1	178.1	174.9	0	110.5	I405 D407 T419	I405-K417 WeakPolarHBondContact O-CD 3.28Å; I405-K417 WeakPolarHBondContact O-CE 3.28Å; I405-K417 WeakPolarHBondContact O-CG 3.33Å; D407-K417 WeakPolarHBondContact OD1-CB 3.44Å; D407-K417 PolarHBondContact OD1-N 2.91Å; K417-T419 PolarHBondContact O-N 2.96Å
418	N	95.9	Very high	97	Very high	84 Å²	84	28.2 Å²	28.2	45%	0.449	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	3.9	-176.1	-55.8	-38.7	0	0	0	115.7	R403 A404 V420	R403-N418 PolarHBondContact NH1-OD1 3.45Å; A404-N418 PolarHBondContact O-N 3.2Å; N418-V420 PolarHBondContact O-N 2.89Å
419	T	97.3	Very high	97	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.031	16%	0.16	C	C	.	.			trans	-64.9	130.7	168.9	-58.2	0	0	0	0	109.8	T108 V110 R403 A404 I415 P416 K417 I421	T108-T419 HydrophobicContact CG2-CG2 4.23Å; V110-T419 HydrophobicContact CB-CG2 4.3Å; V110-T419 HydrophobicContact CG2-CG2 3.61Å; R403-T419 WeakPolarHBondContact CA-O 3.34Å; A404-T419 PolarHBondContact N-O 3.35Å; I415-T419 HydrophobicContact CG2-CG2 3.98Å; P416-T419 WeakPolarHBondContact O-CB 3.36Å; P416-T419 PolarHBondContact O-N 3.26Å; P416-T419 VanDerWaalsContact O-N 3.16Å; P416-T419 PolarHBondContact O-OG1 3.4Å; K417-T419 PolarHBondContact O-N 2.96Å; T419-I421 HydrophobicContact CG2-CD1 4.06Å
420	V	97.4	Very high	96.9	Very high	13 Å²	13	25.6 Å²	25.6	8%	0.079	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132.4	173.9	173.7	0	0	0	0	108.8	T107 T108 M109 V110 P133 P401 H402 N418 I422	T107-V420 HydrophobicContact CG2-CG2 3.87Å; T108-V420 PolarHBondContact O-N 2.78Å; M109-V420 CarbonylContact C-O 3.48Å; M109-V420 VanDerWaalsContact CA-O 3.23Å; M109-V420 WeakPolarHBondContact CA-O 3.39Å; M109-V420 HydrophobicContact CB-CB 4.4Å; M109-V420 HydrophobicContact CG-CB 3.94Å; M109-V420 HydrophobicContact CG-CG1 4.19Å; V110-V420 PolarHBondContact N-O 3.34Å; P133-V420 HydrophobicContact CB-CG2 4.02Å; P133-V420 HydrophobicContact CG-CG1 4Å; P133-V420 HydrophobicContact CG-CG2 4.03Å; P401-V420 HydrophobicContact CB-CG1 4.04Å; H402-V420 CarbonylContact O-C 3.44Å; H402-V420 VanDerWaalsContact O-CA 3.27Å; H402-V420 WeakPolarHBondContact O-CA 3.37Å; N418-V420 PolarHBondContact O-N 2.89Å; V420-I422 HydrophobicContact CG1-CG1 4.22Å
421	I	98.3	Very high	96.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126	177.6	-49.3	-57	0	0	0	107.9	V110 L112 F129 P401 H402 I410 I415 T419 P423	V110-I421 HydrophobicContact CB-CD1 4.01Å; V110-I421 CarbonylContact O-C 3.43Å; V110-I421 WeakPolarHBondContact O-CA 3.22Å; L112-I421 HydrophobicContact CD1-CG2 3.47Å; L112-I421 VanDerWaalsContact CD1-CG2 3.47Å; L112-I421 HydrophobicContact CD2-CG2 4.36Å; L112-I421 HydrophobicContact CG-CG2 3.8Å; F129-I421 HydrophobicContact CD1-CD1 4.29Å; F129-I421 HydrophobicContact CD1-CG1 3.76Å; F129-I421 HydrophobicContact CE1-CD1 4.27Å; F129-I421 HydrophobicContact CE1-CG1 4.24Å; P401-I421 WeakPolarHBondContact CA-O 3.39Å; H402-I421 HydrophobicContact CB-CB 4.02Å; H402-I421 PolarHBondContact N-O 3.05Å; H402-I421 PolarHBondContact O-N 3.19Å; I410-I421 HydrophobicContact CD1-CD1 4.02Å; I410-I421 HydrophobicContact CD1-CG1 4.49Å; I410-I421 HydrophobicContact CD1-CG2 4.41Å; I415-I421 HydrophobicContact CG2-CD1 3.97Å; T419-I421 HydrophobicContact CG2-CD1 4.06Å; I421-P423 WeakPolarHBondContact O-CD 3.22Å
422	I	97.8	Very high	96.7	Very high	13 Å²	13	30 Å²	30	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	102.9	178.8	-57.5	176.7	0	0	0	107.8	L89 M109 V110 V111 L112 L398 V420 N424	L89-I422 HydrophobicContact CD1-CG2 4.44Å; M109-I422 HydrophobicContact CB-CD1 4.2Å; M109-I422 HydrophobicContact CG-CD1 4.49Å; M109-I422 HydrophobicContact SD-CD1 4.05Å; V110-I422 PolarHBondContact O-N 2.78Å; V111-I422 WeakPolarHBondContact CA-O 3.27Å; V111-I422 HydrophobicContact CG2-CB 4.33Å; V111-I422 HydrophobicContact CG2-CD1 4.37Å; L112-I422 PolarHBondContact N-O 2.85Å; L398-I422 HydrophobicContact CB-CG2 4.28Å; L398-I422 HydrophobicContact CD2-CG2 4.31Å; V420-I422 HydrophobicContact CG1-CG1 4.22Å; I422-N424 PolarHBondContact O-N 3.38Å
423	P	97.9	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	104.3	172.8	-11.9	28.9	0	0	0	109.8	I118 L122 L398 A399 I421 L425	I118-P423 HydrophobicContact CD1-CB 4.3Å; I118-P423 HydrophobicContact CG1-CB 4.3Å; I118-P423 HydrophobicContact CG2-CB 4.16Å; L122-P423 HydrophobicContact CD1-CB 4.27Å; L122-P423 HydrophobicContact CD1-CG 4.08Å; L122-P423 HydrophobicContact CD2-CG 4.26Å; L398-P423 CarbonylContact C-O 3.56Å; L398-P423 VanDerWaalsContact CA-O 3.29Å; L398-P423 WeakPolarHBondContact CA-O 3.48Å; A399-P423 HydrophobicContact CB-CB 4.09Å; A399-P423 HydrophobicContact CB-CG 4.13Å; I421-P423 WeakPolarHBondContact O-CD 3.22Å; P423-L425 PolarHBondContact O-N 3.12Å
424	N	97.7	Very high	96.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.			trans	-81.1	85.8	173.4	-174.4	5.2	0	0	0	109.6	P86 T90 V111 L112 N113 L398 I422 F426 G427 A428	P86-N424 PolarHBondContact O-ND2 3.1Å; T90-N424 PolarHBondContact N-ND2 3.02Å; T90-N424 PolarHBondContact OG1-ND2 3.23Å; V111-N424 HydrophobicContact CG1-CB 4.06Å; L112-N424 WeakPolarHBondContact O-CA 3.49Å; L112-N424 WeakPolarHBondContact O-CB 3.45Å; L112-N424 PolarHBondContact O-N 3.43Å; N113-N424 WeakPolarHBondContact OD1-CB 3.21Å; N113-N424 PolarHBondContact OD1-ND2 2.87Å; L398-N424 HydrophobicContact CD2-CB 3.9Å; L398-N424 WeakPolarHBondContact CD2-OD1 3.38Å; I422-N424 PolarHBondContact O-N 3.38Å; N424-F426 VanDerWaalsContact C-N 3.28Å; N424-F426 PolarHBondContact O-N 2.63Å; N424-F426 PolarHBondContact OD1-N 3.45Å; N424-G427 PolarHBondContact O-N 3.3Å; N424-G427 PolarHBondContact OD1-N 3.01Å; N424-A428 WeakPolarHBondContact O-CB 3.28Å; N424-A428 PolarHBondContact O-N 2.9Å
425	L	97.6	Very high	96.2	Very high	3 Å²	3	27 Å²	27	2%	0.016	16%	0.162	C	C	.	.	H	α-helix	trans	-62.9	-36.3	177.1	-61.7	-177.5	0	0	0	111.4	I118 P397 A399 P423 A428 H429	I118-L425 HydrophobicContact CD1-CD2 4.16Å; I118-L425 HydrophobicContact CG2-CD2 4.34Å; P397-L425 WeakPolarHBondContact O-CA 3.46Å; P397-L425 WeakPolarHBondContact O-CB 3.44Å; P397-L425 PolarHBondContact O-N 3.37Å; A399-L425 HydrophobicContact CB-CD1 3.99Å; A399-L425 HydrophobicContact CB-CG 4.2Å; P423-L425 PolarHBondContact O-N 3.12Å; L425-A428 PolarHBondContact O-N 3.32Å; L425-H429 VanDerWaalsContact O-CB 3.32Å; L425-H429 WeakPolarHBondContact O-CB 3.5Å; L425-H429 VanDerWaalsContact O-CG 3.25Å; L425-H429 PolarHBondContact O-N 3.49Å
426	F	96.6	Very high	95.9	Very high	11 Å²	11	30.3 Å²	30.3	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-51.9	175.2	-178	-87.6	0	0	0	111.1	P86 I87 P394 P397 N424 A428 H429 H430 Y439	P86-F426 HydrophobicContact CB-CB 3.96Å; P86-F426 HydrophobicContact CB-CD1 4.45Å; P86-F426 HydrophobicContact CB-CG 4.21Å; I87-F426 HydrophobicContact CB-CE1 4.5Å; I87-F426 HydrophobicContact CD1-CZ 4.46Å; I87-F426 HydrophobicContact CG1-CD1 4.43Å; I87-F426 HydrophobicContact CG1-CE1 3.71Å; I87-F426 HydrophobicContact CG1-CZ 3.84Å; P394-F426 HydrophobicContact CG-CB 4.26Å; P394-F426 HydrophobicContact CG-CD2 4.37Å; P397-F426 HydrophobicContact CB-CB 3.78Å; P397-F426 PolarHBondContact O-N 3.46Å; N424-F426 VanDerWaalsContact C-N 3.28Å; N424-F426 PolarHBondContact O-N 2.63Å; N424-F426 PolarHBondContact OD1-N 3.45Å; F426-A428 VanDerWaalsContact C-N 3.32Å; F426-A428 PolarHBondContact O-N 3.3Å; F426-H429 PolarHBondContact O-N 3.04Å; F426-H430 AromaticContact CD1-ND1 3.99Å; F426-H430 AromaticContact CD2-CE1 3.59Å; F426-H430 AromaticContact CD2-ND1 3.8Å; F426-H430 AromaticContact CE1-ND1 3.93Å; F426-H430 AromaticContact CE2-CE1 3.28Å; F426-H430 WeakPolarHBondContact CE2-CE1 3.46Å; F426-H430 AromaticContact CE2-ND1 3.75Å; F426-H430 AromaticContact CE2-NE2 3.82Å; F426-H430 AromaticContact CG-ND1 3.92Å; F426-H430 AromaticContact CZ-CE1 3.63Å; F426-H430 AromaticContact CZ-ND1 3.81Å; F426-H430 AromaticContact CZ-NE2 3.87Å; F426-H430 WeakPolarHBondContact O-CB 3.44Å; F426-H430 PolarHBondContact O-N 3.38Å; F426-H430 PolarHBondContact O-ND1 2.66Å; F426-Y439 HydrophobicContact CE1-CE1 4.32Å; F426-Y439 HydrophobicContact CZ-CE1 4.25Å
427	G	96.6	Very high	95.8	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-43.2	177	0	0	0	0	0	112.4	T90 N113 N424 H429 H430 D431	T90-G427 VanDerWaalsContact OG1-CA 3.28Å; T90-G427 WeakPolarHBondContact OG1-CA 3.38Å; N113-G427 CarbonylContact O-C 3.48Å; N424-G427 PolarHBondContact O-N 3.3Å; N424-G427 PolarHBondContact OD1-N 3.01Å; G427-H429 VanDerWaalsContact C-N 3.34Å; G427-H429 PolarHBondContact O-N 2.85Å; G427-H430 CarbonylContact O-C 2.97Å; G427-H430 PolarHBondContact O-N 2.76Å; G427-H430 VanDerWaalsContact O-N 3.16Å; G427-D431 PolarHBondContact O-N 3.05Å
428	A	96.9	Very high	95.7	Very high	1 Å²	1	28 Å²	28	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-32.3	179.3	0	0	0	0	0	113.6	N113 C115 I118 N424 L425 F426 H430 W435	N113-A428 VanDerWaalsContact O-CA 3.24Å; N113-A428 WeakPolarHBondContact O-CA 3.4Å; N113-A428 PolarHBondContact O-N 3.21Å; C115-A428 PolarHBondContact SG-O 3.18Å; I118-A428 HydrophobicContact CD1-CB 3.66Å; N424-A428 WeakPolarHBondContact O-CB 3.28Å; N424-A428 PolarHBondContact O-N 2.9Å; L425-A428 PolarHBondContact O-N 3.32Å; F426-A428 VanDerWaalsContact C-N 3.32Å; F426-A428 PolarHBondContact O-N 3.3Å; A428-H430 VanDerWaalsContact C-N 3.34Å; A428-W435 PolarHBondContact O-NE1 3.4Å
429	H	97.3	Very high	95.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-82.9	-11.2	175.6	-69.6	172.2	0	0	0	113.5	R391 L425 F426 G427 W435 M458	R391-H429 HydrophobicContact CG-CB 3.86Å; R391-H429 PolarHBondContact NH1-O 3.28Å; R391-H429 WeakPolarHBondContact O-CB 3.34Å; R391-H429 PolarHBondContact O-ND1 3.2Å; L425-H429 VanDerWaalsContact O-CB 3.32Å; L425-H429 WeakPolarHBondContact O-CB 3.5Å; L425-H429 VanDerWaalsContact O-CG 3.25Å; L425-H429 PolarHBondContact O-N 3.49Å; F426-H429 PolarHBondContact O-N 3.04Å; G427-H429 VanDerWaalsContact C-N 3.34Å; G427-H429 PolarHBondContact O-N 2.85Å; H429-W435 VanDerWaalsContact C-CD1 3.5Å; H429-W435 PolarHBondContact O-NE1 3.33Å; H429-M458 PolarHBondContact NE2-N 3.38Å; H429-M458 VanDerWaalsContact NE2-N 3.16Å
430	H	95.9	Very high	95.7	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	19%	0.186	C	C	.	.	S	Bend	trans	-113.4	12.8	175.8	-65.7	79.3	0	0	0	113.4	L392 F426 G427 A428 P432 P438 Y439	L392-H430 PolarHBondContact O-CE1 3.5Å; L392-H430 VanDerWaalsContact O-CE1 3.24Å; F426-H430 AromaticContact CD1-ND1 3.99Å; F426-H430 AromaticContact CD2-CE1 3.59Å; F426-H430 AromaticContact CD2-ND1 3.8Å; F426-H430 AromaticContact CE1-ND1 3.93Å; F426-H430 AromaticContact CE2-CE1 3.28Å; F426-H430 WeakPolarHBondContact CE2-CE1 3.46Å; F426-H430 AromaticContact CE2-ND1 3.75Å; F426-H430 AromaticContact CE2-NE2 3.82Å; F426-H430 AromaticContact CG-ND1 3.92Å; F426-H430 AromaticContact CZ-CE1 3.63Å; F426-H430 AromaticContact CZ-ND1 3.81Å; F426-H430 AromaticContact CZ-NE2 3.87Å; F426-H430 WeakPolarHBondContact O-CB 3.44Å; F426-H430 PolarHBondContact O-N 3.38Å; F426-H430 PolarHBondContact O-ND1 2.66Å; G427-H430 CarbonylContact O-C 2.97Å; G427-H430 PolarHBondContact O-N 2.76Å; G427-H430 VanDerWaalsContact O-N 3.16Å; A428-H430 VanDerWaalsContact C-N 3.34Å; H430-P432 VanDerWaalsContact O-CD 3.27Å; H430-P432 WeakPolarHBondContact O-CD 3.43Å; H430-P438 HydrophobicContact CB-CB 4.09Å; H430-P438 PolarHBondContact CD2-O 2.87Å; H430-P438 VanDerWaalsContact CD2-O 3.26Å; H430-P438 VanDerWaalsContact O-CB 3.23Å; H430-P438 WeakPolarHBondContact O-CB 3.49Å; H430-P438 WeakPolarHBondContact O-CG 3.48Å; H430-Y439 HydrophobicContact CB-CE1 4.03Å; H430-Y439 AromaticContact CD2-CD1 3.28Å; H430-Y439 WeakPolarHBondContact CD2-CD1 3.27Å; H430-Y439 AromaticContact CD2-CE1 3.45Å; H430-Y439 VanDerWaalsContact CD2-CE1 3.45Å; H430-Y439 WeakPolarHBondContact CD2-CE1 3.47Å; H430-Y439 AromaticContact CD2-CG 3.91Å; H430-Y439 AromaticContact CG-CE1 3.9Å; H430-Y439 AromaticContact NE2-CD1 3.96Å
431	D	94.7	Very high	95.7	Very high	39 Å²	39	31.9 Å²	31.9	21%	0.209	19%	0.186	C	C	.	.			trans	-65.5	113.3	176.8	-175	-11.7	0	0	0	110.3	G427 A433 V434 W435	G427-D431 PolarHBondContact O-N 3.05Å; D431-A433 PolarHBondContact O-N 3.23Å; D431-A433 VanDerWaalsContact OD1-CB 3.31Å; D431-A433 WeakPolarHBondContact OD1-CB 3.43Å; D431-A433 PolarHBondContact OD1-N 3.09Å; D431-V434 HydrophobicContact CB-CB 4.43Å; D431-V434 HydrophobicContact CB-CG2 4.4Å; D431-V434 PolarHBondContact O-N 3.16Å; D431-W435 PolarHBondContact O-N 2.99Å
432	P	93.1	Very high	95.6	Very high	97 Å²	97	35 Å²	35	63%	0.63	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.8	-177.8	28.8	-35.7	0	0	0	113.2	H430 V434 P438	H430-P432 VanDerWaalsContact O-CD 3.27Å; H430-P432 WeakPolarHBondContact O-CD 3.43Å; P432-V434 PolarHBondContact O-N 3.01Å; P432-P438 HydrophobicContact CB-CG 4.22Å
433	A	91.1	Very high	95.5	Very high	92 Å²	92	34.6 Å²	34.6	76%	0.76	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.3	173.5	0	0	0	0	0	112.5	D431	D431-A433 PolarHBondContact O-N 3.23Å; D431-A433 VanDerWaalsContact OD1-CB 3.31Å; D431-A433 WeakPolarHBondContact OD1-CB 3.43Å; D431-A433 PolarHBondContact OD1-N 3.09Å
434	V	92.1	Very high	95.4	Very high	35 Å²	35	37.8 Å²	37.8	21%	0.212	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-36.2	-177.8	179.6	0	0	0	0	111.7	D431 P432 F456	D431-V434 HydrophobicContact CB-CB 4.43Å; D431-V434 HydrophobicContact CB-CG2 4.4Å; D431-V434 PolarHBondContact O-N 3.16Å; P432-V434 PolarHBondContact O-N 3.01Å; V434-F456 HydrophobicContact CG1-CB 3.56Å; V434-F456 HydrophobicContact CG1-CD1 4.02Å; V434-F456 HydrophobicContact CG1-CD2 3.41Å; V434-F456 VanDerWaalsContact CG1-CD2 3.41Å; V434-F456 HydrophobicContact CG1-CE2 4.07Å; V434-F456 HydrophobicContact CG1-CG 3.4Å
435	W	94.1	Very high	95.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	-120.9	105	-171.6	-56.5	106	0	0	0	110.4	R391 A428 H429 D431 E437 P438 F446 F456 L457	R391-W435 VanDerWaalsContact CD-CE3 3.48Å; R391-W435 HydrophobicContact CG-CD2 4.43Å; R391-W435 HydrophobicContact CG-CH2 4.19Å; R391-W435 HydrophobicContact CG-CZ2 4.02Å; R391-W435 HydrophobicContact CG-CZ3 4.49Å; A428-W435 PolarHBondContact O-NE1 3.4Å; H429-W435 VanDerWaalsContact C-CD1 3.5Å; H429-W435 PolarHBondContact O-NE1 3.33Å; D431-W435 PolarHBondContact O-N 2.99Å; W435-E437 PolarHBondContact O-N 3.5Å; W435-P438 HydrophobicContact CB-CB 4.08Å; W435-P438 VanDerWaalsContact O-CD 3.25Å; W435-P438 WeakPolarHBondContact O-CD 3.39Å; W435-F446 HydrophobicContact CH2-CE1 4.12Å; W435-F446 AromaticContact CH2-CZ 3.7Å; W435-F446 HydrophobicContact CH2-CZ 3.7Å; W435-F446 HydrophobicContact CZ3-CE1 4.2Å; W435-F446 HydrophobicContact CZ3-CE2 4.39Å; W435-F446 AromaticContact CZ3-CZ 3.71Å; W435-F446 HydrophobicContact CZ3-CZ 3.71Å; W435-F456 HydrophobicContact CH2-CB 4.3Å; W435-F456 HydrophobicContact CZ2-CB 3.71Å; W435-L457 HydrophobicContact CH2-CB 4.38Å
436	P	92.1	Very high	95.1	Very high	71 Å²	71	39.8 Å²	39.8	46%	0.461	22%	0.221	S	C	.	.	S	Bend	trans	-61.2	133.3	174.1	-23.9	33.4	0	0	0	111.3	R445	P436-R445 PolarHBondContact O-NH1 2.89Å; P436-R445 PolarHBondContact O-NH2 3.5Å
437	E	94.8	Very high	94.9	Very high	105 Å²	105	42.8 Å²	42.8	49%	0.491	24%	0.235	S	C	.	.	S	Bend	trans	48.9	61.6	-173.9	-61.9	162.7	63.4	0	0	112.1	W435 Y439 S440 K442 R445	W435-E437 PolarHBondContact O-N 3.5Å; E437-Y439 PolarHBondContact O-N 3.1Å; E437-Y439 VanDerWaalsContact O-N 3.15Å; E437-S440 PolarHBondContact O-N 3.44Å; E437-S440 VanDerWaalsContact O-N 3.11Å; E437-K442 HydrophobicContact CB-CD 4.38Å; E437-K442 IonicContact OE1-NZ 2.66Å; E437-K442 PolarHBondContact OE1-NZ 3.47Å; E437-K442 IonicContact OE2-NZ 3.25Å; E437-K442 PolarHBondContact OE2-NZ 3.43Å; E437-R445 PolarHBondContact O-NH2 2.94Å
438	P	95.2	Very high	94.4	Very high	14 Å²	14	52.4 Å²	52.4	9%	0.091	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-26.8	-165	19	-27.5	0	0	0	114.1	R391 H430 P432 W435	R391-P438 PolarHBondContact NH1-O 3.31Å; R391-P438 PolarHBondContact NH2-O 3.43Å; H430-P438 HydrophobicContact CB-CB 4.09Å; H430-P438 PolarHBondContact CD2-O 2.87Å; H430-P438 VanDerWaalsContact CD2-O 3.26Å; H430-P438 VanDerWaalsContact O-CB 3.23Å; H430-P438 WeakPolarHBondContact O-CB 3.49Å; H430-P438 WeakPolarHBondContact O-CG 3.48Å; P432-P438 HydrophobicContact CB-CG 4.22Å; W435-P438 HydrophobicContact CB-CB 4.08Å; W435-P438 VanDerWaalsContact O-CD 3.25Å; W435-P438 WeakPolarHBondContact O-CD 3.39Å
439	Y	95.6	Very high	93.7	Very high	115 Å²	115	56.3 Å²	56.3	45%	0.451	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-9.1	-178.4	-60.8	-82.5	0	0	0	113.5	F426 H430 E437	F426-Y439 HydrophobicContact CE1-CE1 4.32Å; F426-Y439 HydrophobicContact CZ-CE1 4.25Å; H430-Y439 HydrophobicContact CB-CE1 4.03Å; H430-Y439 AromaticContact CD2-CD1 3.28Å; H430-Y439 WeakPolarHBondContact CD2-CD1 3.27Å; H430-Y439 AromaticContact CD2-CE1 3.45Å; H430-Y439 VanDerWaalsContact CD2-CE1 3.45Å; H430-Y439 WeakPolarHBondContact CD2-CE1 3.47Å; H430-Y439 AromaticContact CD2-CG 3.91Å; H430-Y439 AromaticContact CG-CE1 3.9Å; H430-Y439 AromaticContact NE2-CD1 3.96Å; E437-Y439 PolarHBondContact O-N 3.1Å; E437-Y439 VanDerWaalsContact O-N 3.15Å
440	S	96.2	Very high	92.7	Very high	50 Å²	50	57.9 Å²	57.9	35%	0.35	34%	0.336	S	S	.	.	S	Bend	trans	-82.6	138	178.4	-59.8	0	0	0	0	110.7	E388 R391 E437 K442	E388-S440 VanDerWaalsContact OE1-O 3.1Å; R391-S440 PolarHBondContact NH2-O 3.42Å; E437-S440 PolarHBondContact O-N 3.44Å; E437-S440 VanDerWaalsContact O-N 3.11Å; S440-K442 PolarHBondContact O-N 3.46Å
441	F	97.6	Very high	91.8	Very high	19 Å²	19	60.5 Å²	60.5	8%	0.083	36%	0.363	C	S	.	.			trans	-78.4	101.6	172.2	177.1	-130.7	0	0	0	110.3	F347 R351 V354 L385 E388 M389 L392 P443	F347-F441 HydrophobicContact CB-CD1 3.88Å; F347-F441 HydrophobicContact CB-CD2 4.47Å; F347-F441 HydrophobicContact CB-CE1 3.83Å; F347-F441 HydrophobicContact CB-CE2 4.4Å; F347-F441 HydrophobicContact CB-CG 4.23Å; F347-F441 HydrophobicContact CB-CZ 4.09Å; F347-F441 HydrophobicContact CD1-CB 3.52Å; F347-F441 AromaticContact CD1-CD1 3.79Å; F347-F441 HydrophobicContact CD1-CD1 3.79Å; F347-F441 HydrophobicContact CD1-CD2 4.11Å; F347-F441 AromaticContact CD1-CG 3.55Å; F347-F441 HydrophobicContact CD1-CG 3.55Å; F347-F441 HydrophobicContact CE1-CB 3.8Å; F347-F441 HydrophobicContact CE1-CG 4.27Å; F347-F441 HydrophobicContact CG-CD1 4.25Å; F347-F441 HydrophobicContact CG-CD2 4.41Å; F347-F441 HydrophobicContact CG-CG 4.17Å; R351-F441 HydrophobicContact CB-CD1 4.01Å; R351-F441 HydrophobicContact CB-CE1 4.02Å; R351-F441 HydrophobicContact CG-CD1 3.82Å; R351-F441 HydrophobicContact CG-CE1 4.34Å; V354-F441 HydrophobicContact CG1-CZ 4.42Å; V354-F441 HydrophobicContact CG2-CE1 4.33Å; L385-F441 HydrophobicContact CD1-CE2 3.96Å; L385-F441 HydrophobicContact CD1-CZ 3.49Å; L385-F441 VanDerWaalsContact CD1-CZ 3.49Å; E388-F441 HydrophobicContact CB-CE2 4.45Å; E388-F441 HydrophobicContact CG-CD2 3.67Å; E388-F441 HydrophobicContact CG-CE2 3.92Å; M389-F441 HydrophobicContact CG-CE2 4.07Å; M389-F441 HydrophobicContact SD-CD2 4.11Å; M389-F441 HydrophobicContact SD-CE2 3.59Å; M389-F441 VanDerWaalsContact SD-CE2 3.59Å; M389-F441 HydrophobicContact SD-CZ 4.16Å; L392-F441 HydrophobicContact CD2-CB 3.63Å; L392-F441 HydrophobicContact CD2-CD2 3.93Å; L392-F441 HydrophobicContact CD2-CG 4.18Å; F441-P443 HydrophobicContact CD2-CG 4.33Å; F441-P443 HydrophobicContact CE1-CG 4.23Å; F441-P443 HydrophobicContact CE2-CG 3.69Å; F441-P443 HydrophobicContact CZ-CG 3.62Å
442	K	96.1	Very high	91.1	Very high	67 Å²	67	59.8 Å²	59.8	29%	0.291	37%	0.366	S	S	.	.			trans	-132.8	81.2	-175.5	-61.3	-178.9	73.1	159.5	0	110.7	E388 E437 S440 E444 R445	E388-K442 PolarHBondContact OE1-N 2.97Å; E437-K442 HydrophobicContact CB-CD 4.38Å; E437-K442 IonicContact OE1-NZ 2.66Å; E437-K442 PolarHBondContact OE1-NZ 3.47Å; E437-K442 IonicContact OE2-NZ 3.25Å; E437-K442 PolarHBondContact OE2-NZ 3.43Å; S440-K442 PolarHBondContact O-N 3.46Å; K442-E444 VanDerWaalsContact C-OE2 3.26Å; K442-E444 WeakPolarHBondContact CA-OE2 3.4Å; K442-E444 PolarHBondContact O-N 3.05Å; K442-E444 VanDerWaalsContact O-N 3.17Å; K442-R445 WeakPolarHBondContact O-CB 3.24Å; K442-R445 PolarHBondContact O-N 2.88Å; K442-R445 VanDerWaalsContact O-N 3.08Å
443	P	96.9	Very high	90.7	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.019	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-50.6	-36.8	175.1	-30.1	38.2	0	0	0	113.3	V354 S384 L385 F441 R445 F446	V354-P443 HydrophobicContact CG1-CG 3.89Å; V354-P443 HydrophobicContact CG2-CG 4.08Å; S384-P443 VanDerWaalsContact CB-O 3.3Å; S384-P443 WeakPolarHBondContact CB-O 3.27Å; L385-P443 HydrophobicContact CD1-CG 4.35Å; F441-P443 HydrophobicContact CD2-CG 4.33Å; F441-P443 HydrophobicContact CE1-CG 4.23Å; F441-P443 HydrophobicContact CE2-CG 3.69Å; F441-P443 HydrophobicContact CZ-CG 3.62Å; P443-R445 PolarHBondContact O-N 3.44Å; P443-F446 PolarHBondContact O-N 2.93Å
444	E	95.1	Very high	90.4	Very high	68 Å²	68	56.8 Å²	56.8	32%	0.318	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56.6	-20.8	-178.3	-50.5	78.8	-171.9	0	0	112.4	R351 K442 F446 Q447 G450	R351-E444 IonicContact NH2-OE1 3.82Å; R351-E444 PolarHBondContact NH2-OE1 3.31Å; R351-E444 IonicContact NH2-OE2 2.89Å; K442-E444 VanDerWaalsContact C-OE2 3.26Å; K442-E444 WeakPolarHBondContact CA-OE2 3.4Å; K442-E444 PolarHBondContact O-N 3.05Å; K442-E444 VanDerWaalsContact O-N 3.17Å; E444-F446 PolarHBondContact O-N 3.2Å; E444-Q447 WeakPolarHBondContact O-CB 3.4Å; E444-Q447 PolarHBondContact O-N 3.35Å; E444-G450 WeakPolarHBondContact O-CA 3.41Å
445	R	94.8	Very high	90.2	Very high	9 Å²	9	63 Å²	63	3%	0.034	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-52.4	-35.4	172.3	-177.1	-172.4	-52.9	-73.2	7.9	113.6	E388 P436 E437 K442 P443 G450 G452	E388-R445 IonicContact OE1-NE 3.34Å; E388-R445 IonicContact OE2-NE 2.77Å; E388-R445 PolarHBondContact OE2-NE 3.4Å; P436-R445 PolarHBondContact O-NH1 2.89Å; P436-R445 PolarHBondContact O-NH2 3.5Å; E437-R445 PolarHBondContact O-NH2 2.94Å; K442-R445 WeakPolarHBondContact O-CB 3.24Å; K442-R445 PolarHBondContact O-N 2.88Å; K442-R445 VanDerWaalsContact O-N 3.08Å; P443-R445 PolarHBondContact O-N 3.44Å; R445-G450 WeakPolarHBondContact CA-O 3.37Å; R445-G450 CarbonylContact O-C 3.45Å; R445-G452 WeakPolarHBondContact O-CA 3.17Å; R445-G452 PolarHBondContact O-N 3.17Å
446	F	95.3	Very high	90.2	Very high	35 Å²	35	64.8 Å²	64.8	15%	0.154	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-94	3.4	-178.7	-72.2	-82.5	0	0	0	113.5	E388 R391 W435 P443 E444 L457	E388-F446 HydrophobicContact CB-CD2 4.05Å; E388-F446 HydrophobicContact CB-CE2 4.13Å; E388-F446 WeakPolarHBondContact OE2-CE2 3.49Å; R391-F446 HydrophobicContact CB-CE2 4.43Å; R391-F446 HydrophobicContact CB-CZ 4.39Å; W435-F446 HydrophobicContact CH2-CE1 4.12Å; W435-F446 AromaticContact CH2-CZ 3.7Å; W435-F446 HydrophobicContact CH2-CZ 3.7Å; W435-F446 HydrophobicContact CZ3-CE1 4.2Å; W435-F446 HydrophobicContact CZ3-CE2 4.39Å; W435-F446 AromaticContact CZ3-CZ 3.71Å; W435-F446 HydrophobicContact CZ3-CZ 3.71Å; P443-F446 PolarHBondContact O-N 2.93Å; E444-F446 PolarHBondContact O-N 3.2Å; F446-L457 HydrophobicContact CE1-CB 4.37Å; F446-L457 HydrophobicContact CE1-CD2 3.88Å; F446-L457 HydrophobicContact CZ-CD2 3.93Å
447	Q	90.9	Very high	90.3	Very high	74 Å²	74	62.8 Å²	62.8	35%	0.346	36%	0.359	S	S	.	.	S	Bend	trans	-83	165.7	170.2	-61.6	177	-14.2	0	0	110.8	S384 E444 G449 G450	S384-Q447 WeakPolarHBondContact OG-CG 3.44Å; E444-Q447 WeakPolarHBondContact O-CB 3.4Å; E444-Q447 PolarHBondContact O-N 3.35Å; Q447-G449 PolarHBondContact O-N 3.5Å; Q447-G450 PolarHBondContact O-N 3.28Å
448	E	85.9	Confident	90.3	Very high	205 Å²	205	58.6 Å²	58.6	96%	0.958	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	127.3	176.1	-171	171.9	-171	0	0	110.5	G450	E448-G450 VanDerWaalsContact C-N 3.26Å; E448-G450 PolarHBondContact O-N 2.9Å
449	G	82.6	Confident	90.3	Very high	83 Å²	83	58.9 Å²	58.9	86%	0.856	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-2.8	-176	0	0	0	0	0	115.9	Q447 G451	Q447-G449 PolarHBondContact O-N 3.5Å; G449-G451 PolarHBondContact O-N 2.91Å
450	G	77.9	Confident	90.4	Very high	33 Å²	33	54.8 Å²	54.8	34%	0.34	33%	0.326	S	S	.	.	S	Bend	trans	-72.2	-4.9	-176.9	0	0	0	0	0	116.3	E444 R445 Q447 E448 G452	E444-G450 WeakPolarHBondContact O-CA 3.41Å; R445-G450 WeakPolarHBondContact CA-O 3.37Å; R445-G450 CarbonylContact O-C 3.45Å; Q447-G450 PolarHBondContact O-N 3.28Å; E448-G450 VanDerWaalsContact C-N 3.26Å; E448-G450 PolarHBondContact O-N 2.9Å; G450-G452 PolarHBondContact O-N 3.29Å
451	G	76.4	Confident	90.3	Very high	56 Å²	56	53.3 Å²	53.3	58%	0.577	32%	0.318	S	S	*	.	S	Bend	trans	77.4	-4.5	176.1	0	0	0	0	0	115.5	G449	G449-G451 PolarHBondContact O-N 2.91Å
452	G	80.3	Confident	90.1	Very high	25 Å²	25	52.7 Å²	52.7	26%	0.258	32%	0.317	S	S	.	.			trans	-77.8	151.6	168.5	0	0	0	0	0	112.7	R445 G450	R445-G452 WeakPolarHBondContact O-CA 3.17Å; R445-G452 PolarHBondContact O-N 3.17Å; G450-G452 PolarHBondContact O-N 3.29Å
453	S	83.1	Confident	90.1	Very high	49 Å²	49	51 Å²	51	34%	0.343	32%	0.319	S	S	.	.			trans	-127.3	121.4	171	-170.7	0	0	0	0	111.2	R455 F456	S453-R455 PolarHBondContact O-N 2.76Å; S453-R455 VanDerWaalsContact OG-CB 3.29Å; S453-R455 WeakPolarHBondContact OG-CB 3.5Å; S453-R455 PolarHBondContact OG-N 2.96Å; S453-F456 PolarHBondContact O-N 2.76Å
454	A	85.6	Confident	90	Very high	76 Å²	76	52.1 Å²	52.1	63%	0.628	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-22.9	169.8	0	0	0	0	0	112.2	F456 L457	A454-F456 PolarHBondContact O-N 3.28Å; A454-L457 PolarHBondContact O-N 3.34Å
455	R	88.6	Confident	90.1	Very high	166 Å²	166	49.8 Å²	49.8	63%	0.626	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-34.7	173	-176.3	-177.6	175.8	-169.8	-4.1	112.3	R119 S453	R119-R455 PolarHBondContact NH2-O 3.33Å; S453-R455 PolarHBondContact O-N 2.76Å; S453-R455 VanDerWaalsContact OG-CB 3.29Å; S453-R455 WeakPolarHBondContact OG-CB 3.5Å; S453-R455 PolarHBondContact OG-N 2.96Å
456	F	92.5	Very high	90.1	Very high	37 Å²	37	52 Å²	52	16%	0.162	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-6.5	-178.3	-62.2	-68.6	0	0	0	113.1	C115 E116 V434 W435 S453 A454 M458	C115-F456 HydrophobicContact CB-CB 4.4Å; C115-F456 HydrophobicContact CB-CD1 3.92Å; C115-F456 PolarHBondContact SG-O 3.11Å; E116-F456 HydrophobicContact CG-CE1 4.17Å; V434-F456 HydrophobicContact CG1-CB 3.56Å; V434-F456 HydrophobicContact CG1-CD1 4.02Å; V434-F456 HydrophobicContact CG1-CD2 3.41Å; V434-F456 VanDerWaalsContact CG1-CD2 3.41Å; V434-F456 HydrophobicContact CG1-CE2 4.07Å; V434-F456 HydrophobicContact CG1-CG 3.4Å; W435-F456 HydrophobicContact CH2-CB 4.3Å; W435-F456 HydrophobicContact CZ2-CB 3.71Å; S453-F456 PolarHBondContact O-N 2.76Å; A454-F456 PolarHBondContact O-N 3.28Å; F456-M458 PolarHBondContact O-N 3.45Å
457	L	95.4	Very high	90.2	Very high	30 Å²	30	53 Å²	53	16%	0.157	34%	0.339	C	S	.	.			trans	-77.7	114.4	174.2	-175.7	56.6	0	0	0	110.1	L390 R391 W435 F446 A454 P459	L390-L457 HydrophobicContact CB-CD1 4.48Å; R391-L457 HydrophobicContact CB-CD1 3.73Å; R391-L457 HydrophobicContact CG-CD1 4.32Å; W435-L457 HydrophobicContact CH2-CB 4.38Å; F446-L457 HydrophobicContact CE1-CB 4.37Å; F446-L457 HydrophobicContact CE1-CD2 3.88Å; F446-L457 HydrophobicContact CZ-CD2 3.93Å; A454-L457 PolarHBondContact O-N 3.34Å; L457-P459 VanDerWaalsContact C-CD 3.48Å; L457-P459 HydrophobicContact CD1-CG 4.2Å; L457-P459 HydrophobicContact CG-CG 4.22Å
458	M	95.3	Very high	90.5	Very high	17 Å²	17	50.7 Å²	50.7	8%	0.084	33%	0.329	C	S	.	.			trans	-133.6	56.7	179.9	-61	-165.2	-53.1	0	0	113.4	C115 I118 R119 H429 F456 F460 G461	C115-M458 HydrophobicContact CB-CE 4.02Å; C115-M458 WeakPolarHBondContact O-CE 3.32Å; I118-M458 HydrophobicContact CB-CE 3.84Å; I118-M458 HydrophobicContact CG2-CE 3.58Å; R119-M458 HydrophobicContact CB-SD 4.3Å; R119-M458 PolarHBondContact NH2-SD 3.03Å; H429-M458 PolarHBondContact NE2-N 3.38Å; H429-M458 VanDerWaalsContact NE2-N 3.16Å; F456-M458 PolarHBondContact O-N 3.45Å; M458-F460 PolarHBondContact O-N 3.38Å; M458-G461 PolarHBondContact O-N 3.32Å
459	P	95.2	Very high	90.9	Very high	20 Å²	20	42 Å²	42	13%	0.13	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.9	-174	29.7	-35.5	0	0	0	113.5	L390 L457	L390-P459 HydrophobicContact CB-CB 3.91Å; L390-P459 HydrophobicContact CB-CG 3.97Å; L390-P459 HydrophobicContact CD1-CG 4.15Å; L390-P459 HydrophobicContact CD2-CB 4.05Å; L390-P459 HydrophobicContact CD2-CG 4.34Å; L390-P459 HydrophobicContact CG-CB 4.44Å; L390-P459 HydrophobicContact CG-CG 4.39Å; L457-P459 VanDerWaalsContact C-CD 3.48Å; L457-P459 HydrophobicContact CD1-CG 4.2Å; L457-P459 HydrophobicContact CG-CG 4.22Å
460	F	96.5	Very high	91.5	Very high	29 Å²	29	40.2 Å²	40.2	13%	0.127	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	9.7	-177	-62.3	-70.3	0	0	0	113.7	L390 M458 L466 C467 E470 A473 K474	L390-F460 HydrophobicContact CD1-CE2 4.23Å; L390-F460 HydrophobicContact CD1-CZ 4.47Å; L390-F460 HydrophobicContact CD2-CZ 4.22Å; M458-F460 PolarHBondContact O-N 3.38Å; F460-L466 HydrophobicContact CB-CD1 4.23Å; F460-C467 HydrophobicContact CB-CB 3.75Å; F460-C467 HydrophobicContact CD1-CB 3.83Å; F460-C467 HydrophobicContact CG-CB 4.22Å; F460-C467 PolarHBondContact O-N 3.45Å; F460-E470 HydrophobicContact CB-CB 4.39Å; F460-E470 HydrophobicContact CB-CG 4.28Å; F460-E470 HydrophobicContact CD1-CB 4.24Å; F460-E470 HydrophobicContact CD1-CG 4.33Å; F460-E470 HydrophobicContact CD2-CB 4.43Å; F460-E470 HydrophobicContact CD2-CG 3.66Å; F460-E470 HydrophobicContact CE2-CG 4.06Å; F460-E470 HydrophobicContact CG-CB 4.1Å; F460-E470 HydrophobicContact CG-CG 3.83Å; F460-A473 HydrophobicContact CE1-CB 3.9Å; F460-A473 HydrophobicContact CZ-CB 4.11Å; F460-K474 HydrophobicContact CE2-CG 4.24Å; F460-K474 HydrophobicContact CZ-CG 4.46Å
461	G	94.7	Very high	92.1	Very high	18 Å²	18	40.4 Å²	40.4	19%	0.186	26%	0.26	C	S	.	.			trans	75.7	-144.8	-174.8	0	0	0	0	0	112.8	M458	M458-G461 PolarHBondContact O-N 3.32Å
462	G	94	Very high	92.9	Very high	7 Å²	7	38.1 Å²	38.1	7%	0.072	24%	0.236	C	C	.	.			trans	-170.8	167.7	-177.5	0	0	0	0	0	115.7	L466	G462-L466 PolarHBondContact O-N 2.95Å
463	G	95	Very high	93.7	Very high	32 Å²	32	37.6 Å²	37.6	33%	0.33	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	62.4	-144.1	176	0	0	0	0	0	114.2	L122 R465 L466	L122-G463 VanDerWaalsContact O-CA 3.26Å; L122-G463 WeakPolarHBondContact O-CA 3.22Å; G463-R465 PolarHBondContact O-N 3.37Å; G463-L466 WeakPolarHBondContact O-CB 3.44Å; G463-L466 PolarHBondContact O-N 3.46Å; G463-L466 VanDerWaalsContact O-N 3.1Å
464	A	95	Very high	94.3	Very high	25 Å²	25	39.2 Å²	39.2	21%	0.207	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-60.3	-22.5	-175.3	0	0	0	0	0	114.1	W126 A130 Y153 W157 R161	W126-A464 HydrophobicContact CD2-CB 4.14Å; W126-A464 HydrophobicContact CE3-CB 3.52Å; W126-A464 HydrophobicContact CZ3-CB 4.1Å; A130-A464 HydrophobicContact CB-CB 4.31Å; Y153-A464 HydrophobicContact CE2-CB 3.93Å; W157-A464 WeakPolarHBondContact CH2-O 3.39Å; R161-A464 PolarHBondContact NE-O 3.32Å
465	R	96.4	Very high	94.8	Very high	19 Å²	19	36.2 Å²	36.2	7%	0.072	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-107.4	16.6	-178.7	-62.8	-69.8	-172.8	159	-1.7	113.3	A130 I148 G151 D152 Y153 W157 G463	A130-R465 VanDerWaalsContact O-CZ 3.31Å; A130-R465 PolarHBondContact O-NE 2.72Å; A130-R465 PolarHBondContact O-NH2 2.85Å; I148-R465 PolarHBondContact O-NH1 3.48Å; G151-R465 VanDerWaalsContact O-CZ 3.22Å; G151-R465 PolarHBondContact O-NH1 3.39Å; G151-R465 PolarHBondContact O-NH2 2.91Å; D152-R465 VanDerWaalsContact C-NH2 3.29Å; Y153-R465 VanDerWaalsContact N-NH2 3.19Å; W157-R465 VanDerWaalsContact CE2-CZ 3.46Å; W157-R465 VanDerWaalsContact CZ2-CD 3.47Å; G463-R465 PolarHBondContact O-N 3.37Å
466	L	96.6	Very high	95.1	Very high	56 Å²	56	28.5 Å²	28.5	29%	0.293	17%	0.174	S	C	.	.			trans	-47.3	144.7	172.1	-177.6	68.4	0	0	0	110.6	R161 F460 G462 G463 L468 E470	R161-L466 PolarHBondContact NH1-O 3.37Å; R161-L466 PolarHBondContact NH2-O 3.39Å; F460-L466 HydrophobicContact CB-CD1 4.23Å; G462-L466 PolarHBondContact O-N 2.95Å; G463-L466 WeakPolarHBondContact O-CB 3.44Å; G463-L466 PolarHBondContact O-N 3.46Å; G463-L466 VanDerWaalsContact O-N 3.1Å; L466-L468 PolarHBondContact O-N 2.87Å; L466-E470 WeakPolarHBondContact CD2-OE2 3.34Å
467	C	97.2	Very high	95.3	Very high	55 Å²	55	27 Å²	27	37%	0.372	17%	0.168	S	C	.	.			trans	-49.6	127.6	178.4	-175.6	0	0	0	0	111.2	F460 G469 E470	F460-C467 HydrophobicContact CB-CB 3.75Å; F460-C467 HydrophobicContact CD1-CB 3.83Å; F460-C467 HydrophobicContact CG-CB 4.22Å; F460-C467 PolarHBondContact O-N 3.45Å; C467-G469 VanDerWaalsContact C-N 3.27Å; C467-G469 PolarHBondContact O-N 3.29Å; C467-G469 PolarHBondContact SG-N 2.9Å; C467-E470 HydrophobicContact CB-CB 4.35Å
468	L	95.4	Very high	95.5	Very high	26 Å²	26	25.9 Å²	25.9	14%	0.136	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-36.2	179.4	-173.4	71.3	0	0	0	111.4	I148 R161 V164 H165 L168 L329 L466	I148-L468 HydrophobicContact CG2-CD2 4.48Å; R161-L468 HydrophobicContact CG-CD1 4.44Å; V164-L468 HydrophobicContact CB-CD2 4.21Å; V164-L468 HydrophobicContact CG1-CD2 3.62Å; H165-L468 HydrophobicContact CB-CD1 3.73Å; L168-L468 HydrophobicContact CD2-CG 4.18Å; L168-L468 WeakPolarHBondContact CD2-O 3.43Å; L329-L468 HydrophobicContact CD2-CD2 4.41Å; L466-L468 PolarHBondContact O-N 2.87Å
469	G	94.5	Very high	95.6	Very high	24 Å²	24	25.1 Å²	25.1	25%	0.247	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	13.5	-176.7	0	0	0	0	0	115.2	C467 S471 V472 A473	C467-G469 VanDerWaalsContact C-N 3.27Å; C467-G469 PolarHBondContact O-N 3.29Å; C467-G469 PolarHBondContact SG-N 2.9Å; G469-S471 VanDerWaalsContact C-N 3.3Å; G469-S471 PolarHBondContact O-N 3.42Å; G469-V472 PolarHBondContact O-N 2.96Å; G469-V472 VanDerWaalsContact O-N 3.11Å; G469-A473 WeakPolarHBondContact O-CB 3.05Å; G469-A473 PolarHBondContact O-N 3.08Å
470	E	95.1	Very high	95.7	Very high	45 Å²	45	24.2 Å²	24.2	21%	0.21	15%	0.151	C	C	.	.	H	α-helix	trans	-53.8	-44.8	-176.1	175.6	178.3	-170.1	0	0	112.8	F460 L466 C467 V472 K474	F460-E470 HydrophobicContact CB-CB 4.39Å; F460-E470 HydrophobicContact CB-CG 4.28Å; F460-E470 HydrophobicContact CD1-CB 4.24Å; F460-E470 HydrophobicContact CD1-CG 4.33Å; F460-E470 HydrophobicContact CD2-CB 4.43Å; F460-E470 HydrophobicContact CD2-CG 3.66Å; F460-E470 HydrophobicContact CE2-CG 4.06Å; F460-E470 HydrophobicContact CG-CB 4.1Å; F460-E470 HydrophobicContact CG-CG 3.83Å; L466-E470 WeakPolarHBondContact CD2-OE2 3.34Å; C467-E470 HydrophobicContact CB-CB 4.35Å; E470-V472 VanDerWaalsContact C-N 3.35Å; E470-K474 HydrophobicContact CG-CD 4.21Å; E470-K474 WeakPolarHBondContact O-CG 3.28Å; E470-K474 PolarHBondContact O-N 3.43Å; E470-K474 WeakPolarHBondContact OE1-CE 3.29Å; E470-K474 IonicContact OE1-NZ 2.72Å; E470-K474 PolarHBondContact OE1-NZ 3.43Å
471	S	92.1	Very high	95.8	Very high	36 Å²	36	23 Å²	23	25%	0.252	15%	0.146	S	C	.	.	H	α-helix	trans	-66	-38.4	-179.8	54.6	0	0	0	0	112.4	Q169 G469 I475	Q169-S471 PolarHBondContact NE2-OG 3.45Å; G469-S471 VanDerWaalsContact C-N 3.3Å; G469-S471 PolarHBondContact O-N 3.42Å; S471-I475 WeakPolarHBondContact O-CD1 3.5Å; S471-I475 VanDerWaalsContact O-CG1 3.28Å; S471-I475 WeakPolarHBondContact O-CG1 3.48Å; S471-I475 PolarHBondContact O-N 3.41Å
472	V	93.3	Very high	96	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.055	14%	0.138	C	C	.	.	H	α-helix	trans	-65.6	-53.8	176.8	174	0	0	0	0	109.8	L168 C172 L176 G469 E470 K474 I475 E476	L168-V472 HydrophobicContact CD1-CG2 3.93Å; L168-V472 HydrophobicContact CD2-CG2 4.2Å; L168-V472 HydrophobicContact CG-CG2 4.09Å; C172-V472 WeakPolarHBondContact SG-CG2 3.19Å; L176-V472 HydrophobicContact CD1-CG1 4.03Å; L176-V472 HydrophobicContact CD2-CG2 4.22Å; G469-V472 PolarHBondContact O-N 2.96Å; G469-V472 VanDerWaalsContact O-N 3.11Å; E470-V472 VanDerWaalsContact C-N 3.35Å; V472-K474 PolarHBondContact O-N 3.2Å; V472-I475 PolarHBondContact O-N 3.5Å; V472-E476 HydrophobicContact CG1-CG 4.17Å; V472-E476 WeakPolarHBondContact CG1-OE1 3.36Å; V472-E476 PolarHBondContact O-N 3.37Å
473	A	95.6	Very high	96.2	Very high	13 Å²	13	22.3 Å²	22.3	11%	0.107	14%	0.136	C	C	.	.	H	α-helix	trans	-56.2	-47.7	-179.2	0	0	0	0	0	111.4	F460 G469 I475 E476 L477	F460-A473 HydrophobicContact CE1-CB 3.9Å; F460-A473 HydrophobicContact CZ-CB 4.11Å; G469-A473 WeakPolarHBondContact O-CB 3.05Å; G469-A473 PolarHBondContact O-N 3.08Å; A473-I475 PolarHBondContact O-N 2.94Å; A473-E476 PolarHBondContact O-N 2.99Å; A473-L477 WeakPolarHBondContact O-CB 3.29Å; A473-L477 WeakPolarHBondContact O-CG 3.32Å; A473-L477 PolarHBondContact O-N 3.36Å
474	K	95.5	Very high	96.3	Very high	83 Å²	83	21.2 Å²	21.2	36%	0.361	12%	0.123	S	C	.	.	H	α-helix	trans	-57.2	-36.5	178.9	-76.2	179.9	-178.1	173.3	0	113.4	F460 E470 V472 F478	F460-K474 HydrophobicContact CE2-CG 4.24Å; F460-K474 HydrophobicContact CZ-CG 4.46Å; E470-K474 HydrophobicContact CG-CD 4.21Å; E470-K474 WeakPolarHBondContact O-CG 3.28Å; E470-K474 PolarHBondContact O-N 3.43Å; E470-K474 WeakPolarHBondContact OE1-CE 3.29Å; E470-K474 IonicContact OE1-NZ 2.72Å; E470-K474 PolarHBondContact OE1-NZ 3.43Å; V472-K474 PolarHBondContact O-N 3.2Å; K474-F478 WeakPolarHBondContact O-CB 3.37Å; K474-F478 PolarHBondContact O-N 3.01Å
475	I	95.9	Very high	96.5	Very high	14 Å²	14	20.1 Å²	20.1	7%	0.072	11%	0.113	C	C	.	.	H	α-helix	trans	-75	-45.8	178.4	-61.4	167.8	0	0	0	110	L176 I180 Y373 S471 V472 A473 F478 L479	L176-I475 HydrophobicContact CD2-CB 4.31Å; L176-I475 HydrophobicContact CD2-CD1 3.54Å; L176-I475 HydrophobicContact CD2-CG1 4.49Å; L176-I475 HydrophobicContact CD2-CG2 4.46Å; I180-I475 HydrophobicContact CD1-CB 4.12Å; I180-I475 HydrophobicContact CD1-CG2 3.53Å; Y373-I475 HydrophobicContact CD1-CD1 4.25Å; Y373-I475 HydrophobicContact CD1-CG1 3.71Å; Y373-I475 HydrophobicContact CD2-CB 4.2Å; Y373-I475 HydrophobicContact CD2-CG1 3.92Å; Y373-I475 HydrophobicContact CD2-CG2 4.19Å; Y373-I475 HydrophobicContact CE1-CD1 4.25Å; Y373-I475 HydrophobicContact CE1-CG1 3.62Å; Y373-I475 HydrophobicContact CE2-CB 4.35Å; Y373-I475 HydrophobicContact CE2-CG1 3.85Å; Y373-I475 HydrophobicContact CG-CB 4.37Å; Y373-I475 HydrophobicContact CG-CG1 3.85Å; Y373-I475 HydrophobicContact CG-CG2 4.08Å; S471-I475 WeakPolarHBondContact O-CD1 3.5Å; S471-I475 VanDerWaalsContact O-CG1 3.28Å; S471-I475 WeakPolarHBondContact O-CG1 3.48Å; S471-I475 PolarHBondContact O-N 3.41Å; V472-I475 PolarHBondContact O-N 3.5Å; A473-I475 PolarHBondContact O-N 2.94Å; I475-F478 PolarHBondContact O-N 3.29Å; I475-L479 HydrophobicContact CG2-CD1 3.75Å; I475-L479 HydrophobicContact CG2-CG 4.33Å; I475-L479 WeakPolarHBondContact O-CB 3.47Å; I475-L479 WeakPolarHBondContact O-CG 3.45Å; I475-L479 PolarHBondContact O-N 3.41Å
476	E	95.8	Very high	96.5	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-55.8	177	-75.8	177.2	-177.9	0	0	111.9	I180 V212 V472 A473 F478 L479 F480	I180-E476 HydrophobicContact CD1-CB 4.34Å; I180-E476 HydrophobicContact CD1-CG 3.55Å; I180-E476 HydrophobicContact CG1-CG 3.88Å; V212-E476 HydrophobicContact CG1-CG 4.26Å; V212-E476 WeakPolarHBondContact CG1-OE1 3.26Å; V472-E476 HydrophobicContact CG1-CG 4.17Å; V472-E476 WeakPolarHBondContact CG1-OE1 3.36Å; V472-E476 PolarHBondContact O-N 3.37Å; A473-E476 PolarHBondContact O-N 2.99Å; E476-F478 PolarHBondContact O-N 3.22Å; E476-L479 PolarHBondContact O-N 2.97Å; E476-F480 HydrophobicContact CB-CD2 4.16Å; E476-F480 HydrophobicContact CB-CE2 4.33Å; E476-F480 HydrophobicContact CG-CE2 4.42Å; E476-F480 WeakPolarHBondContact O-CB 3.47Å; E476-F480 VanDerWaalsContact O-CD2 3.28Å; E476-F480 WeakPolarHBondContact O-CD2 3.44Å; E476-F480 PolarHBondContact O-N 2.87Å
477	L	97.8	Very high	96.5	Very high	6 Å²	6	19.3 Å²	19.3	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-39.1	-178.4	-59.6	-174.1	0	0	0	110.9	A337 W340 L390 A473 T481	A337-L477 HydrophobicContact CB-CD2 4.32Å; W340-L477 HydrophobicContact CB-CD2 4.04Å; W340-L477 HydrophobicContact CD2-CD1 3.77Å; W340-L477 HydrophobicContact CD2-CD2 3.66Å; W340-L477 HydrophobicContact CD2-CG 4.14Å; W340-L477 HydrophobicContact CE3-CB 4.23Å; W340-L477 HydrophobicContact CE3-CD1 4.27Å; W340-L477 HydrophobicContact CE3-CD2 3.49Å; W340-L477 VanDerWaalsContact CE3-CD2 3.49Å; W340-L477 HydrophobicContact CE3-CG 4.15Å; W340-L477 HydrophobicContact CG-CD1 3.97Å; W340-L477 HydrophobicContact CG-CD2 3.92Å; W340-L477 HydrophobicContact CH2-CB 4.22Å; W340-L477 HydrophobicContact CZ2-CB 4.5Å; W340-L477 HydrophobicContact CZ2-CD1 4.25Å; W340-L477 HydrophobicContact CZ3-CB 4.07Å; W340-L477 HydrophobicContact CZ3-CD2 4.18Å; L390-L477 HydrophobicContact CD2-CD1 3.89Å; L390-L477 HydrophobicContact CG-CD1 4.41Å; A473-L477 WeakPolarHBondContact O-CB 3.29Å; A473-L477 WeakPolarHBondContact O-CG 3.32Å; A473-L477 PolarHBondContact O-N 3.36Å; L477-T481 WeakPolarHBondContact O-CB 3.44Å; L477-T481 PolarHBondContact O-N 3.11Å; L477-T481 PolarHBondContact O-OG1 3.21Å
478	F	98.2	Very high	96.6	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.026	9%	0.09	C	C	.	.	H	α-helix	trans	-66.5	-54.8	177.3	-179.4	-88.7	0	0	0	112.4	Y373 R376 L379 L382 I386 K474 I475 E476 A482	Y373-F478 HydrophobicContact CD2-CB 3.98Å; Y373-F478 AromaticContact CD2-CD1 3.75Å; Y373-F478 HydrophobicContact CD2-CD1 3.75Å; Y373-F478 HydrophobicContact CD2-CE1 4.43Å; Y373-F478 AromaticContact CD2-CG 3.91Å; Y373-F478 HydrophobicContact CD2-CG 3.91Å; Y373-F478 HydrophobicContact CE2-CB 4.04Å; Y373-F478 HydrophobicContact CE2-CG 4.21Å; R376-F478 VanDerWaalsContact CA-CZ 3.47Å; R376-F478 HydrophobicContact CB-CD2 4.06Å; R376-F478 HydrophobicContact CB-CE1 4.46Å; R376-F478 HydrophobicContact CB-CE2 3.47Å; R376-F478 VanDerWaalsContact CB-CE2 3.47Å; R376-F478 HydrophobicContact CB-CZ 3.69Å; L379-F478 HydrophobicContact CD1-CZ 3.84Å; L382-F478 HydrophobicContact CD2-CD2 3.91Å; L382-F478 HydrophobicContact CD2-CE2 3.54Å; L382-F478 HydrophobicContact CD2-CZ 3.91Å; L382-F478 HydrophobicContact CG-CD2 4.33Å; L382-F478 HydrophobicContact CG-CE2 4.16Å; I386-F478 HydrophobicContact CD1-CB 4Å; I386-F478 HydrophobicContact CD1-CD2 3.72Å; I386-F478 HydrophobicContact CD1-CG 4.29Å; K474-F478 WeakPolarHBondContact O-CB 3.37Å; K474-F478 PolarHBondContact O-N 3.01Å; I475-F478 PolarHBondContact O-N 3.29Å; E476-F478 PolarHBondContact O-N 3.22Å; F478-A482 VanDerWaalsContact O-CB 3.22Å; F478-A482 WeakPolarHBondContact O-CB 3.22Å; F478-A482 PolarHBondContact O-N 2.86Å
479	L	97.8	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-68.8	-45.8	-174.5	-71.5	177.4	0	0	0	111.7	I180 P371 I475 E476 T481 A482 Y483	I180-L479 HydrophobicContact CB-CD1 4.03Å; I180-L479 HydrophobicContact CD1-CD1 4.37Å; I180-L479 HydrophobicContact CG2-CB 3.64Å; I180-L479 HydrophobicContact CG2-CD1 3.76Å; I180-L479 HydrophobicContact CG2-CG 4.34Å; P371-L479 WeakPolarHBondContact O-CD2 3.13Å; I475-L479 HydrophobicContact CG2-CD1 3.75Å; I475-L479 HydrophobicContact CG2-CG 4.33Å; I475-L479 WeakPolarHBondContact O-CB 3.47Å; I475-L479 WeakPolarHBondContact O-CG 3.45Å; I475-L479 PolarHBondContact O-N 3.41Å; E476-L479 PolarHBondContact O-N 2.97Å; L479-T481 PolarHBondContact O-N 3.17Å; L479-A482 PolarHBondContact O-N 2.83Å; L479-Y483 HydrophobicContact CD2-CE2 4.41Å; L479-Y483 WeakPolarHBondContact O-CB 3.32Å; L479-Y483 WeakPolarHBondContact O-CD2 3.44Å; L479-Y483 PolarHBondContact O-N 3.32Å
480	F	98.3	Very high	96.9	Very high	1 Å²	1	17.9 Å²	17.9	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-58.6	-48.5	176.8	-79.8	-61.4	0	0	0	111.2	I180 Q183 A184 L187 A208 V212 L341 E476 A482 Y483 L484	I180-F480 HydrophobicContact CG2-CD2 4.37Å; I180-F480 HydrophobicContact CG2-CE2 4.2Å; I180-F480 HydrophobicContact CG2-CZ 4.44Å; Q183-F480 HydrophobicContact CB-CE1 4.2Å; Q183-F480 HydrophobicContact CB-CZ 3.99Å; A184-F480 HydrophobicContact CB-CD1 3.97Å; A184-F480 HydrophobicContact CB-CE1 4.09Å; L187-F480 HydrophobicContact CD2-CD1 4.25Å; L187-F480 HydrophobicContact CD2-CE1 4.43Å; A208-F480 HydrophobicContact CB-CE1 4Å; A208-F480 HydrophobicContact CB-CZ 4.03Å; V212-F480 HydrophobicContact CG2-CE2 4.05Å; V212-F480 HydrophobicContact CG2-CZ 3.93Å; L341-F480 HydrophobicContact CD1-CB 4.13Å; L341-F480 HydrophobicContact CD1-CD2 4.19Å; L341-F480 HydrophobicContact CD1-CG 4.16Å; L341-F480 HydrophobicContact CD2-CB 3.75Å; E476-F480 HydrophobicContact CB-CD2 4.16Å; E476-F480 HydrophobicContact CB-CE2 4.33Å; E476-F480 HydrophobicContact CG-CE2 4.42Å; E476-F480 WeakPolarHBondContact O-CB 3.47Å; E476-F480 VanDerWaalsContact O-CD2 3.28Å; E476-F480 WeakPolarHBondContact O-CD2 3.44Å; E476-F480 PolarHBondContact O-N 2.87Å; F480-A482 PolarHBondContact O-N 3.34Å; F480-Y483 PolarHBondContact O-N 3.43Å; F480-L484 WeakPolarHBondContact O-CB 3.34Å; F480-L484 WeakPolarHBondContact O-CG 3.2Å; F480-L484 PolarHBondContact O-N 3.49Å
481	T	98.3	Very high	96.9	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.025	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-43.4	179.2	-53.1	0	0	0	0	111.8	W340 T344 L382 L385 L477 L479 L484 L485	W340-T481 VanDerWaalsContact CZ3-OG1 3.27Å; W340-T481 WeakPolarHBondContact CZ3-OG1 3.34Å; T344-T481 HydrophobicContact CG2-CG2 4.46Å; L382-T481 HydrophobicContact CD1-CG2 3.63Å; L385-T481 HydrophobicContact CD2-CG2 3.97Å; L477-T481 WeakPolarHBondContact O-CB 3.44Å; L477-T481 PolarHBondContact O-N 3.11Å; L477-T481 PolarHBondContact O-OG1 3.21Å; L479-T481 PolarHBondContact O-N 3.17Å; T481-L484 PolarHBondContact O-N 3.18Å; T481-L485 HydrophobicContact CG2-CD1 3.67Å; T481-L485 HydrophobicContact CG2-CG 4.18Å; T481-L485 WeakPolarHBondContact O-CB 3.48Å; T481-L485 WeakPolarHBondContact O-CG 3.12Å; T481-L485 PolarHBondContact O-N 3.27Å
482	A	98.1	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.2	-42.3	179.8	0	0	0	0	0	112.2	L362 P371 L382 F478 L479 F480 R486	L362-A482 HydrophobicContact CD2-CB 4.24Å; P371-A482 HydrophobicContact CB-CB 3.75Å; P371-A482 HydrophobicContact CG-CB 3.43Å; P371-A482 VanDerWaalsContact CG-CB 3.43Å; L382-A482 HydrophobicContact CD2-CB 3.63Å; F478-A482 VanDerWaalsContact O-CB 3.22Å; F478-A482 WeakPolarHBondContact O-CB 3.22Å; F478-A482 PolarHBondContact O-N 2.86Å; L479-A482 PolarHBondContact O-N 2.83Å; F480-A482 PolarHBondContact O-N 3.34Å; A482-R486 WeakPolarHBondContact O-CB 3.49Å; A482-R486 PolarHBondContact O-N 2.78Å
483	Y	97.9	Very high	97	Very high	11 Å²	11	18.9 Å²	18.9	4%	0.043	9%	0.093	C	C	.	.	H	α-helix	trans	-65.4	-47.8	176.2	-87.5	-116.4	0	0	0	111.2	A184 L185 Y370 P371 L479 F480 L485 R486 D487	A184-Y483 HydrophobicContact CB-CD1 3.6Å; A184-Y483 HydrophobicContact CB-CD2 4.24Å; A184-Y483 HydrophobicContact CB-CE1 4.1Å; A184-Y483 HydrophobicContact CB-CG 3.68Å; L185-Y483 HydrophobicContact CD2-CD1 4.32Å; L185-Y483 HydrophobicContact CD2-CE1 3.86Å; L185-Y483 HydrophobicContact CG-CE1 3.93Å; Y370-Y483 WeakPolarHBondContact CB-OH 3.37Å; Y370-Y483 AromaticContact CD1-CD1 3.51Å; Y370-Y483 HydrophobicContact CD1-CD1 3.51Å; Y370-Y483 HydrophobicContact CD1-CD2 4.49Å; Y370-Y483 AromaticContact CD1-CE1 3.16Å; Y370-Y483 HydrophobicContact CD1-CE1 3.16Å; Y370-Y483 HydrophobicContact CD1-CE2 4.23Å; Y370-Y483 HydrophobicContact CD1-CG 4.18Å; Y370-Y483 AromaticContact CD1-CZ 3.57Å; Y370-Y483 AromaticContact CE1-CD1 3.65Å; Y370-Y483 HydrophobicContact CE1-CD1 3.65Å; Y370-Y483 AromaticContact CE1-CE1 3.59Å; Y370-Y483 HydrophobicContact CE1-CE1 3.59Å; Y370-Y483 AromaticContact CG-CE1 3.88Å; Y370-Y483 HydrophobicContact CG-CE1 3.88Å; Y370-Y483 AromaticContact CG-CZ 3.96Å; P371-Y483 HydrophobicContact CG-CD2 3.48Å; P371-Y483 VanDerWaalsContact CG-CD2 3.48Å; P371-Y483 HydrophobicContact CG-CE2 3.59Å; P371-Y483 HydrophobicContact CG-CG 4.47Å; P371-Y483 WeakPolarHBondContact O-CE2 3.37Å; L479-Y483 HydrophobicContact CD2-CE2 4.41Å; L479-Y483 WeakPolarHBondContact O-CB 3.32Å; L479-Y483 WeakPolarHBondContact O-CD2 3.44Å; L479-Y483 PolarHBondContact O-N 3.32Å; F480-Y483 PolarHBondContact O-N 3.43Å; Y483-L485 PolarHBondContact O-N 3.1Å; Y483-R486 PolarHBondContact O-N 2.91Å; Y483-D487 WeakPolarHBondContact O-CB 3.15Å; Y483-D487 PolarHBondContact O-N 3.33Å; Y483-D487 VanDerWaalsContact O-N 3.09Å
484	L	98.2	Very high	96.4	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-45.3	-178.9	-70.2	174.4	0	0	0	111.9	L187 L191 F205 L341 F480 T481 D487 F488 F490	L187-L484 HydrophobicContact CD2-CD1 4.33Å; L187-L484 HydrophobicContact CD2-CD2 3.93Å; L187-L484 HydrophobicContact CD2-CG 4.49Å; L187-L484 HydrophobicContact CG-CD2 4.23Å; L191-L484 HydrophobicContact CD1-CD2 3.52Å; F205-L484 HydrophobicContact CE1-CD1 3.93Å; F205-L484 HydrophobicContact CZ-CD1 4.43Å; L341-L484 HydrophobicContact CD2-CD1 4.45Å; F480-L484 WeakPolarHBondContact O-CB 3.34Å; F480-L484 WeakPolarHBondContact O-CG 3.2Å; F480-L484 PolarHBondContact O-N 3.49Å; T481-L484 PolarHBondContact O-N 3.18Å; L484-D487 PolarHBondContact O-N 3.46Å; L484-F488 WeakPolarHBondContact O-CA 3.4Å; L484-F488 WeakPolarHBondContact O-CB 3.46Å; L484-F488 PolarHBondContact O-N 3.06Å; L484-F490 HydrophobicContact CB-CE2 4.09Å; L484-F490 HydrophobicContact CB-CZ 4.09Å; L484-F490 HydrophobicContact CD2-CZ 4.27Å
485	L	98.1	Very high	95.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-81.1	-19.2	-178.3	-60.8	-178	0	0	0	114	L348 Q355 V358 Y359 L362 L385 T481 Y483 F490	L348-L485 HydrophobicContact CD1-CD1 3.99Å; L348-L485 HydrophobicContact CD1-CD2 3.69Å; L348-L485 HydrophobicContact CD1-CG 4.41Å; Q355-L485 HydrophobicContact CG-CD2 4.41Å; V358-L485 HydrophobicContact CB-CD1 4.11Å; V358-L485 HydrophobicContact CG1-CB 4.13Å; V358-L485 HydrophobicContact CG1-CD1 3.71Å; V358-L485 HydrophobicContact CG2-CD1 4.45Å; Y359-L485 WeakPolarHBondContact CD2-O 3.45Å; L362-L485 HydrophobicContact CD1-CB 4.35Å; L385-L485 HydrophobicContact CD2-CD1 3.79Å; T481-L485 HydrophobicContact CG2-CD1 3.67Å; T481-L485 HydrophobicContact CG2-CG 4.18Å; T481-L485 WeakPolarHBondContact O-CB 3.48Å; T481-L485 WeakPolarHBondContact O-CG 3.12Å; T481-L485 PolarHBondContact O-N 3.27Å; Y483-L485 PolarHBondContact O-N 3.1Å; L485-F490 HydrophobicContact CD2-CD2 3.99Å; L485-F490 HydrophobicContact CD2-CE2 3.96Å
486	R	96.9	Very high	94.7	Very high	44 Å²	44	33.8 Å²	33.8	17%	0.166	17%	0.167	C	C	.	.	H	α-helix	trans	-68.8	-45.9	167.8	-178.9	178.4	169.1	-88.6	6.3	110.5	Y359 L362 G368 R369 Y370 A482 Y483	Y359-R486 VanDerWaalsContact CE2-O 3.28Å; Y359-R486 WeakPolarHBondContact CE2-O 3.17Å; L362-R486 HydrophobicContact CD1-CB 4.17Å; G368-R486 PolarHBondContact O-NH2 3.33Å; R369-R486 PolarHBondContact O-NE 3.06Å; Y370-R486 VanDerWaalsContact CD1-NH1 3.29Å; A482-R486 WeakPolarHBondContact O-CB 3.49Å; A482-R486 PolarHBondContact O-N 2.78Å; Y483-R486 PolarHBondContact O-N 2.91Å
487	D	97.3	Very high	93.4	Very high	15 Å²	15	40 Å²	40	8%	0.08	21%	0.209	C	C	.	.	H	α-helix	trans	-97.5	-18.8	-167.1	-69.6	12.8	0	0	0	113.4	R188 Y370 Y483 L484 P521 R522	R188-D487 WeakPolarHBondContact CD-OD2 3.48Å; R188-D487 IonicContact CZ-OD2 3.89Å; R188-D487 IonicContact NE-OD2 2.71Å; R188-D487 PolarHBondContact NE-OD2 3.44Å; Y370-D487 PolarHBondContact OH-OD2 3.13Å; Y483-D487 WeakPolarHBondContact O-CB 3.15Å; Y483-D487 PolarHBondContact O-N 3.33Å; Y483-D487 VanDerWaalsContact O-N 3.09Å; L484-D487 PolarHBondContact O-N 3.46Å; D487-P521 CarbonylContact O-C 3.44Å; D487-P521 WeakPolarHBondContact O-CA 3.35Å; D487-R522 PolarHBondContact O-N 3.16Å
488	F	98.3	Very high	92.9	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153.2	-176.8	-57.4	-85.5	0	0	0	113.2	R188 L191 M192 L484 F490 A519 C520 P521 R522	R188-F488 HydrophobicContact CB-CE2 4.21Å; R188-F488 HydrophobicContact CG-CE2 3.83Å; R188-F488 HydrophobicContact CG-CZ 4.01Å; L191-F488 HydrophobicContact CB-CE1 3.87Å; L191-F488 HydrophobicContact CB-CE2 3.98Å; L191-F488 HydrophobicContact CB-CZ 3.55Å; L191-F488 HydrophobicContact CD1-CD2 3.97Å; L191-F488 HydrophobicContact CD1-CE2 3.88Å; L191-F488 HydrophobicContact CD1-CG 4.47Å; L191-F488 HydrophobicContact CD1-CZ 4.3Å; M192-F488 HydrophobicContact CG-CE1 4.32Å; M192-F488 HydrophobicContact CG-CZ 4Å; M192-F488 HydrophobicContact SD-CE1 3.76Å; M192-F488 HydrophobicContact SD-CZ 3.94Å; L484-F488 WeakPolarHBondContact O-CA 3.4Å; L484-F488 WeakPolarHBondContact O-CB 3.46Å; L484-F488 PolarHBondContact O-N 3.06Å; F488-F490 HydrophobicContact CB-CZ 4.46Å; F488-A519 HydrophobicContact CB-CB 4.35Å; F488-A519 HydrophobicContact CD1-CB 3.85Å; F488-A519 HydrophobicContact CE1-CB 4.46Å; F488-A519 HydrophobicContact CG-CB 4.2Å; F488-C520 CarbonylContact C-O 3.38Å; F488-C520 VanDerWaalsContact CA-O 3.24Å; F488-C520 WeakPolarHBondContact CA-O 3.44Å; F488-P521 HydrophobicContact CD1-CG 4.42Å; F488-P521 HydrophobicContact CE1-CG 4.22Å; F488-R522 PolarHBondContact O-NE 3.26Å; F488-R522 VanDerWaalsContact O-NE 3.1Å
489	Q	97.9	Very high	92.7	Very high	69 Å²	69	47.1 Å²	47.1	32%	0.322	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.8	159.9	-175.9	173.7	3.6	0	0	108	V491 C520 R522	Q489-V491 HydrophobicContact CG-CG1 3.98Å; Q489-C520 HydrophobicContact CB-CB 4.46Å; Q489-C520 PolarHBondContact N-O 3.12Å; Q489-C520 PolarHBondContact O-N 3Å; Q489-R522 HydrophobicContact CB-CG 4.42Å
490	F	97.9	Very high	92.6	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.9	175.9	-63.7	-77.8	0	0	0	109.9	L191 L201 V345 L349 Q355 L484 L485 F488 V517 V518 A519	L191-F490 HydrophobicContact CD1-CE1 4.47Å; L201-F490 HydrophobicContact CD1-CD1 4.44Å; L201-F490 HydrophobicContact CD1-CE1 3.87Å; V345-F490 HydrophobicContact CG1-CB 4.17Å; V345-F490 HydrophobicContact CG1-CD1 3.95Å; V345-F490 HydrophobicContact CG1-CE1 4.5Å; V345-F490 HydrophobicContact CG1-CG 3.95Å; V345-F490 HydrophobicContact CG2-CD1 4.44Å; V345-F490 HydrophobicContact CG2-CD2 4.27Å; V345-F490 HydrophobicContact CG2-CE1 4.29Å; V345-F490 HydrophobicContact CG2-CE2 4.12Å; V345-F490 HydrophobicContact CG2-CG 4.42Å; V345-F490 HydrophobicContact CG2-CZ 4.13Å; L349-F490 HydrophobicContact CD2-CB 4.3Å; Q355-F490 PolarHBondContact NE2-O 2.99Å; L484-F490 HydrophobicContact CB-CE2 4.09Å; L484-F490 HydrophobicContact CB-CZ 4.09Å; L484-F490 HydrophobicContact CD2-CZ 4.27Å; L485-F490 HydrophobicContact CD2-CD2 3.99Å; L485-F490 HydrophobicContact CD2-CE2 3.96Å; F488-F490 HydrophobicContact CB-CZ 4.46Å; F490-V517 HydrophobicContact CB-CG2 3.87Å; F490-V517 HydrophobicContact CD1-CG2 3.88Å; F490-V517 HydrophobicContact CG-CG2 4.34Å; F490-V518 WeakPolarHBondContact CA-O 3.21Å; F490-A519 HydrophobicContact CD1-CB 4.14Å; F490-A519 HydrophobicContact CE1-CB 3.92Å
491	V	96.6	Very high	92.4	Very high	46 Å²	46	50.8 Å²	50.8	28%	0.279	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.5	-179.3	-56.8	0	0	0	0	111.3	L349 Q489 V517 V518	L349-V491 VanDerWaalsContact CD2-C 3.42Å; Q489-V491 HydrophobicContact CG-CG1 3.98Å; V491-V517 WeakPolarHBondContact O-CG2 3.38Å; V491-V518 HydrophobicContact CG2-CB 3.81Å; V491-V518 HydrophobicContact CG2-CG1 4.13Å; V491-V518 PolarHBondContact N-O 2.87Å; V491-V518 PolarHBondContact O-N 3.03Å
492	L	95.3	Very high	92.2	Very high	57 Å²	57	52.3 Å²	52.3	30%	0.298	28%	0.282	S	S	.	.			trans	-66.9	143.4	173	-71.7	172.6	0	0	0	110.4	L349 Q494 L499	L349-L492 HydrophobicContact CD1-CD2 4.22Å; L349-L492 HydrophobicContact CD2-CD2 4.48Å; L349-L492 HydrophobicContact CD2-CG 4.45Å; L492-Q494 PolarHBondContact O-N 3.09Å; L492-L499 HydrophobicContact CD1-CD2 3.74Å; L492-L499 HydrophobicContact CD1-CG 4.1Å; L492-L499 HydrophobicContact CD2-CD2 4.21Å; L492-L499 HydrophobicContact CG-CD2 4.25Å
493	P	91.8	Very high	91.8	Very high	8 Å²	8	55.5 Å²	55.5	5%	0.052	30%	0.301	C	S	.	.			trans	-54.8	136.1	167.8	-24.3	34.9	0	0	0	111.1	A198 N495 E496 K516 V518	A198-P493 HydrophobicContact CB-CB 3.68Å; A198-P493 HydrophobicContact CB-CG 3.6Å; P493-N495 PolarHBondContact O-N 2.99Å; P493-E496 HydrophobicContact CB-CB 4.12Å; P493-E496 HydrophobicContact CB-CG 4.14Å; P493-E496 HydrophobicContact CG-CB 4.33Å; P493-E496 HydrophobicContact CG-CG 4.29Å; P493-E496 PolarHBondContact O-N 3.42Å; P493-K516 HydrophobicContact CG-CB 3.99Å; P493-V518 HydrophobicContact CB-CG2 4.42Å; P493-V518 HydrophobicContact CG-CG2 4.36Å
494	Q	82.9	Confident	91.5	Very high	194 Å²	194	55 Å²	55	91%	0.907	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.4	-178.8	-66.1	-179.8	0.4	0	0	113.6	L492	L492-Q494 PolarHBondContact O-N 3.09Å
495	N	77.7	Confident	90.9	Very high	160 Å²	160	58.1 Å²	58.1	86%	0.856	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-5.3	-178.9	-61.7	-23.9	0	0	0	113.7	P493	P493-N495 PolarHBondContact O-N 2.99Å
496	E	77.1	Confident	90	Very high	69 Å²	69	59.4 Å²	59.4	32%	0.322	33%	0.33	S	S	.	.			trans	-105	119.8	177.8	-73.3	-173.2	-167.2	0	0	110.3	P493	P493-E496 HydrophobicContact CB-CB 4.12Å; P493-E496 HydrophobicContact CB-CG 4.14Å; P493-E496 HydrophobicContact CG-CB 4.33Å; P493-E496 HydrophobicContact CG-CG 4.29Å; P493-E496 PolarHBondContact O-N 3.42Å
497	C	69.4	Low	89.1	Confident	135 Å²	135	59.9 Å²	59.9	91%	0.912	34%	0.34	S	S	*	.			trans	-91.3	-8.3	-179.6	-66.9	0	0	0	0	113.7
498	S	86.9	Confident	88.3	Confident	85 Å²	85	62.2 Å²	62.2	59%	0.594	36%	0.355	S	S	*	.	S	Bend	trans	-111.7	126.7	-174.5	58.4	0	0	0	0	111.6
499	L	94.4	Very high	87.8	Confident	76 Å²	76	62.8 Å²	62.8	40%	0.398	36%	0.358	S	S	.	.			trans	-60	155.8	168.6	-75.8	160.8	0	0	0	111.7	L349 L492	L349-L499 HydrophobicContact CB-CD2 4.18Å; L349-L499 VanDerWaalsContact O-CD2 3.31Å; L349-L499 WeakPolarHBondContact O-CD2 3.44Å; L492-L499 HydrophobicContact CD1-CD2 3.74Å; L492-L499 HydrophobicContact CD1-CG 4.1Å; L492-L499 HydrophobicContact CD2-CD2 4.21Å; L492-L499 HydrophobicContact CG-CD2 4.25Å
500	P	95	Very high	87.6	Confident	9 Å²	9	60 Å²	60	6%	0.058	35%	0.346	C	S	.	.			trans	-56.3	142.1	177.4	-24.9	33.5	0	0	0	112.8	A346 L349 H350 L502 I512 Y515	A346-P500 HydrophobicContact CB-CB 4.1Å; A346-P500 HydrophobicContact CB-CG 4.29Å; L349-P500 HydrophobicContact CD1-CG 3.73Å; H350-P500 PolarHBondContact NE2-O 2.71Å; P500-L502 PolarHBondContact O-N 2.75Å; P500-I512 HydrophobicContact CB-CD1 4.3Å; P500-Y515 HydrophobicContact CB-CD1 4.04Å; P500-Y515 HydrophobicContact CB-CD2 4.16Å; P500-Y515 HydrophobicContact CB-CG 3.81Å; P500-Y515 HydrophobicContact CG-CD1 4.34Å; P500-Y515 HydrophobicContact CG-CD2 3.58Å; P500-Y515 HydrophobicContact CG-CE2 4.06Å; P500-Y515 HydrophobicContact CG-CG 3.76Å
501	D	94.7	Very high	87.3	Confident	69 Å²	69	63 Å²	63	37%	0.369	36%	0.359	S	S	.	.			trans	-72.9	114.7	174.5	179	-5	0	0	0	111	T503 K513	D501-T503 VanDerWaalsContact C-N 3.35Å; D501-T503 PolarHBondContact O-N 3.45Å; D501-T503 VanDerWaalsContact OD1-CB 3.27Å; D501-T503 WeakPolarHBondContact OD1-CB 3.14Å; D501-T503 WeakPolarHBondContact OD1-CG2 3.47Å; D501-T503 PolarHBondContact OD1-N 2.93Å; D501-T503 PolarHBondContact OD1-OG1 3.08Å; D501-T503 PolarHBondContact OD2-OG1 2.98Å; D501-T503 VanDerWaalsContact OD2-OG1 3.06Å; D501-K513 HydrophobicContact CB-CD 4.27Å; D501-K513 WeakPolarHBondContact OD2-CD 3.38Å; D501-K513 WeakPolarHBondContact OD2-CE 3.4Å; D501-K513 IonicContact OD2-NZ 3.23Å; D501-K513 PolarHBondContact OD2-NZ 3.39Å
502	L	94.5	Very high	87.2	Confident	36 Å²	36	61.6 Å²	61.6	19%	0.188	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	7.9	-175.6	-56	-179.9	0	0	0	114.6	W343 A346 F347 H350 R393 P500 I512	W343-L502 WeakPolarHBondContact CH2-O 3.4Å; W343-L502 HydrophobicContact CZ3-CB 4.31Å; W343-L502 HydrophobicContact CZ3-CD2 4.13Å; A346-L502 HydrophobicContact CB-CD2 4.18Å; F347-L502 HydrophobicContact CD1-CD1 4.13Å; F347-L502 HydrophobicContact CD2-CD2 4.34Å; F347-L502 HydrophobicContact CE1-CD1 3.67Å; F347-L502 HydrophobicContact CE1-CD2 4.5Å; F347-L502 HydrophobicContact CE2-CD2 4.16Å; F347-L502 HydrophobicContact CZ-CB 4.45Å; F347-L502 HydrophobicContact CZ-CD1 3.98Å; F347-L502 HydrophobicContact CZ-CD2 4.26Å; F347-L502 HydrophobicContact CZ-CG 4.47Å; H350-L502 WeakPolarHBondContact NE2-CG 3.31Å; R393-L502 PolarHBondContact NH2-O 3.43Å; P500-L502 PolarHBondContact O-N 2.75Å; L502-I512 HydrophobicContact CD2-CD1 4.23Å
503	T	90.1	Very high	87.1	Confident	67 Å²	67	63 Å²	63	41%	0.411	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-34.8	176	54	0	0	0	0	112.6	D501 K513	D501-T503 VanDerWaalsContact C-N 3.35Å; D501-T503 PolarHBondContact O-N 3.45Å; D501-T503 VanDerWaalsContact OD1-CB 3.27Å; D501-T503 WeakPolarHBondContact OD1-CB 3.14Å; D501-T503 WeakPolarHBondContact OD1-CG2 3.47Å; D501-T503 PolarHBondContact OD1-N 2.93Å; D501-T503 PolarHBondContact OD1-OG1 3.08Å; D501-T503 PolarHBondContact OD2-OG1 2.98Å; D501-T503 VanDerWaalsContact OD2-OG1 3.06Å; T503-K513 PolarHBondContact OG1-NZ 3.31Å
504	G	89.5	Confident	87.2	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.01	38%	0.384	C	S	.	.			trans	73.4	179.4	-178.6	0	0	0	0	0	114.4	H84 K511	H84-G504 PolarHBondContact CE1-O 3.28Å; H84-G504 VanDerWaalsContact CE1-O 3.31Å; G504-K511 CarbonylContact C-O 3.51Å; G504-K511 WeakPolarHBondContact CA-O 3.4Å
505	V	86.4	Confident	87.8	Confident	74 Å²	74	58.5 Å²	58.5	45%	0.448	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-124	110.4	174.6	-177.5	0	0	0	0	106.8	S507 K511 K513	V505-S507 PolarHBondContact O-N 3.47Å; V505-K511 PolarHBondContact N-O 3.3Å; V505-K511 PolarHBondContact O-N 3.23Å; V505-K513 HydrophobicContact CG2-CG 3.83Å
506	A	78.8	Confident	88.7	Confident	28 Å²	28	55.6 Å²	55.6	23%	0.231	33%	0.325	C	S	.	.			trans	-78.1	120.3	-178.5	0	0	0	0	0	110	P86	P86-A506 HydrophobicContact CG-CB 4.33Å
507	S	78.2	Confident	89.6	Confident	55 Å²	55	52.4 Å²	52.4	39%	0.385	31%	0.31	S	S	.	.	S	Bend	trans	-135.8	-156.5	166.7	79.1	0	0	0	0	108.3	V505 V509	V505-S507 PolarHBondContact O-N 3.47Å; S507-V509 PolarHBondContact N-O 3.33Å; S507-V509 PolarHBondContact O-N 3.5Å; S507-V509 PolarHBondContact OG-N 2.91Å; S507-V509 VanDerWaalsContact OG-N 3.12Å; S507-V509 PolarHBondContact OG-O 3.18Å
508	V	80.8	Confident	91	Very high	63 Å²	63	46.6 Å²	46.6	38%	0.382	27%	0.27	S	S	.	.	S	Bend	trans	-53.4	-37.6	165.6	179.6	0	0	0	0	110.8	V240 W243	V240-V508 HydrophobicContact CG1-CB 3.74Å; V240-V508 HydrophobicContact CG1-CG1 4.47Å; V240-V508 HydrophobicContact CG1-CG2 3.87Å; W243-V508 HydrophobicContact CE3-CG2 4.06Å; W243-V508 HydrophobicContact CZ3-CG2 3.99Å
509	V	88.8	Confident	91.5	Very high	13 Å²	13	43 Å²	43	8%	0.079	25%	0.245	C	C	.	.	S	Bend	trans	-111.6	131.7	171.3	-176.7	0	0	0	0	109.4	E335 T336 A339 V395 S507 K511	E335-V509 HydrophobicContact CB-CG2 4.38Å; T336-V509 HydrophobicContact CG2-CG2 4.49Å; A339-V509 HydrophobicContact CB-CG1 3.79Å; V395-V509 CarbonylContact O-C 3.58Å; V395-V509 VanDerWaalsContact O-CA 3.25Å; V395-V509 WeakPolarHBondContact O-CA 3.38Å; S507-V509 PolarHBondContact N-O 3.33Å; S507-V509 PolarHBondContact O-N 3.5Å; S507-V509 PolarHBondContact OG-N 2.91Å; S507-V509 VanDerWaalsContact OG-N 3.12Å; S507-V509 PolarHBondContact OG-O 3.18Å; V509-K511 HydrophobicContact CG1-CG 4.32Å; V509-K511 PolarHBondContact O-N 3.31Å
510	L	91.9	Very high	91.6	Very high	11 Å²	11	40.6 Å²	40.6	6%	0.058	24%	0.235	C	C	.	.			trans	-76.6	104.5	173.8	179.4	62	0	0	0	109.5	W343 R393 V395 P397	W343-L510 HydrophobicContact CZ2-CD1 4.35Å; W343-L510 HydrophobicContact CZ2-CD2 4.39Å; W343-L510 HydrophobicContact CZ2-CG 4.01Å; W343-L510 PolarHBondContact NE1-O 2.93Å; R393-L510 HydrophobicContact CB-CD2 4.49Å; V395-L510 PolarHBondContact O-N 2.81Å; P397-L510 HydrophobicContact CG-CB 4.12Å
511	K	92.1	Very high	91.7	Very high	68 Å²	68	42.9 Å²	42.9	30%	0.296	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-100.3	153.7	178.6	-64.6	-176.1	176.3	-172.8	0	110.4	N237 E335 A339 G504 V505 V509	N237-K511 PolarHBondContact OD1-NZ 2.97Å; N237-K511 VanDerWaalsContact OD1-NZ 3.08Å; E335-K511 WeakPolarHBondContact OE2-CE 3.37Å; E335-K511 IonicContact OE2-NZ 2.72Å; E335-K511 PolarHBondContact OE2-NZ 3Å; A339-K511 HydrophobicContact CB-CG 4.37Å; G504-K511 CarbonylContact C-O 3.51Å; G504-K511 WeakPolarHBondContact CA-O 3.4Å; V505-K511 PolarHBondContact N-O 3.3Å; V505-K511 PolarHBondContact O-N 3.23Å; V509-K511 HydrophobicContact CG1-CG 4.32Å; V509-K511 PolarHBondContact O-N 3.31Å
512	I	94.4	Very high	91.7	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.077	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-83	155	167.1	-165	170.5	0	0	0	109.8	N342 W343 A346 P500 L502 Y515	N342-I512 HydrophobicContact CB-CG2 4.15Å; W343-I512 HydrophobicContact CD2-CB 3.88Å; W343-I512 HydrophobicContact CD2-CD1 4.41Å; W343-I512 HydrophobicContact CD2-CG1 4.44Å; W343-I512 HydrophobicContact CE3-CB 4.03Å; W343-I512 HydrophobicContact CE3-CD1 3.74Å; W343-I512 HydrophobicContact CE3-CG1 4.07Å; W343-I512 HydrophobicContact CH2-CB 4.13Å; W343-I512 HydrophobicContact CH2-CD1 4.43Å; W343-I512 HydrophobicContact CH2-CG1 4.02Å; W343-I512 HydrophobicContact CZ2-CB 3.95Å; W343-I512 HydrophobicContact CZ2-CG1 4.36Å; W343-I512 HydrophobicContact CZ3-CB 4.16Å; W343-I512 HydrophobicContact CZ3-CD1 3.78Å; W343-I512 HydrophobicContact CZ3-CG1 3.87Å; A346-I512 HydrophobicContact CB-CD1 3.15Å; P500-I512 HydrophobicContact CB-CD1 4.3Å; L502-I512 HydrophobicContact CD2-CD1 4.23Å; I512-Y515 HydrophobicContact CD1-CD1 4.05Å; I512-Y515 HydrophobicContact CD1-CE1 3.82Å; I512-Y515 HydrophobicContact CG1-CD1 4.47Å; I512-Y515 HydrophobicContact CG1-CE1 4.46Å; I512-Y515 HydrophobicContact CG2-CD1 4.27Å; I512-Y515 HydrophobicContact CG2-CE1 3.79Å
513	K	93.7	Very high	91.2	Very high	88 Å²	88	48.3 Å²	48.3	38%	0.383	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-66	151.3	169.1	-66.6	177.5	-173.9	169.1	0	109.4	D501 T503 V505 Y515	D501-K513 HydrophobicContact CB-CD 4.27Å; D501-K513 WeakPolarHBondContact OD2-CD 3.38Å; D501-K513 WeakPolarHBondContact OD2-CE 3.4Å; D501-K513 IonicContact OD2-NZ 3.23Å; D501-K513 PolarHBondContact OD2-NZ 3.39Å; T503-K513 PolarHBondContact OG1-NZ 3.31Å; V505-K513 HydrophobicContact CG2-CG 3.83Å; K513-Y515 WeakPolarHBondContact O-CD1 3.33Å; K513-Y515 PolarHBondContact O-N 3.22Å
514	A	94.1	Very high	91.3	Very high	85 Å²	85	47.4 Å²	47.4	70%	0.702	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-57.1	135.6	177.3	0	0	0	0	0	111	D200	D200-A514 WeakPolarHBondContact OD2-CB 3.34Å
515	Y	95.7	Very high	91.3	Very high	21 Å²	21	49.8 Å²	49.8	8%	0.082	29%	0.293	C	S	.	.			trans	-147.5	161.5	174.7	67.8	-86	0	0	0	109.1	N342 V345 A346 L349 P500 I512 K513 V517	N342-Y515 PolarHBondContact O-OH 2.7Å; N342-Y515 WeakPolarHBondContact OD1-CE1 3.48Å; N342-Y515 VanDerWaalsContact OD1-CZ 3.22Å; N342-Y515 PolarHBondContact OD1-OH 3.45Å; V345-Y515 WeakPolarHBondContact CB-OH 3.4Å; V345-Y515 HydrophobicContact CG1-CE2 4.29Å; A346-Y515 HydrophobicContact CB-CE1 3.79Å; A346-Y515 HydrophobicContact CB-CE2 4.42Å; A346-Y515 PolarHBondContact N-OH 3.13Å; A346-Y515 VanDerWaalsContact N-OH 3.11Å; L349-Y515 HydrophobicContact CD1-CD2 4.1Å; L349-Y515 HydrophobicContact CD1-CE2 3.78Å; P500-Y515 HydrophobicContact CB-CD1 4.04Å; P500-Y515 HydrophobicContact CB-CD2 4.16Å; P500-Y515 HydrophobicContact CB-CG 3.81Å; P500-Y515 HydrophobicContact CG-CD1 4.34Å; P500-Y515 HydrophobicContact CG-CD2 3.58Å; P500-Y515 HydrophobicContact CG-CE2 4.06Å; P500-Y515 HydrophobicContact CG-CG 3.76Å; I512-Y515 HydrophobicContact CD1-CD1 4.05Å; I512-Y515 HydrophobicContact CD1-CE1 3.82Å; I512-Y515 HydrophobicContact CG1-CD1 4.47Å; I512-Y515 HydrophobicContact CG1-CE1 4.46Å; I512-Y515 HydrophobicContact CG2-CD1 4.27Å; I512-Y515 HydrophobicContact CG2-CE1 3.79Å; K513-Y515 WeakPolarHBondContact O-CD1 3.33Å; K513-Y515 PolarHBondContact O-N 3.22Å; Y515-V517 HydrophobicContact CE2-CB 4.2Å; Y515-V517 HydrophobicContact CE2-CG1 4.45Å
516	K	95.9	Very high	91.6	Very high	100 Å²	100	48.4 Å²	48.4	44%	0.435	29%	0.285	S	S	.	.			trans	-104.8	149.9	175.8	-66.6	-175.3	-179	-179.3	0	111.3	A198 V199 P493	A198-K516 HydrophobicContact CB-CB 4.42Å; A198-K516 HydrophobicContact CB-CD 4.37Å; V199-K516 CarbonylContact O-C 3.59Å; V199-K516 VanDerWaalsContact O-CA 3.29Å; V199-K516 WeakPolarHBondContact O-CA 3.42Å; P493-K516 HydrophobicContact CG-CB 3.99Å
517	V	96.9	Very high	92.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-143.5	152.5	178.6	62.5	0	0	0	0	109.7	V199 L201 V345 L349 F490 V491 Y515	V199-V517 PolarHBondContact N-O 3.47Å; V199-V517 PolarHBondContact O-N 3.29Å; L201-V517 HydrophobicContact CD1-CG1 3.51Å; L201-V517 HydrophobicContact CG-CG1 3.69Å; V345-V517 HydrophobicContact CG1-CB 4.45Å; V345-V517 HydrophobicContact CG1-CG1 4.28Å; V345-V517 HydrophobicContact CG1-CG2 4.01Å; L349-V517 HydrophobicContact CD1-CB 4.26Å; L349-V517 HydrophobicContact CD1-CG2 3.98Å; L349-V517 HydrophobicContact CD2-CG2 3.98Å; L349-V517 HydrophobicContact CG-CG2 4.38Å; F490-V517 HydrophobicContact CB-CG2 3.87Å; F490-V517 HydrophobicContact CD1-CG2 3.88Å; F490-V517 HydrophobicContact CG-CG2 4.34Å; V491-V517 WeakPolarHBondContact O-CG2 3.38Å; Y515-V517 HydrophobicContact CE2-CB 4.2Å; Y515-V517 HydrophobicContact CE2-CG1 4.45Å
518	V	97.6	Very high	93.3	Very high	14 Å²	14	49.3 Å²	49.3	9%	0.085	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.1	169.6	176.8	0	0	0	0	108.3	E196 A198 F490 V491 P493	E196-V518 HydrophobicContact CB-CG1 3.89Å; E196-V518 WeakPolarHBondContact O-CG1 3.34Å; A198-V518 HydrophobicContact CB-CG2 4.13Å; F490-V518 WeakPolarHBondContact CA-O 3.21Å; V491-V518 HydrophobicContact CG2-CB 3.81Å; V491-V518 HydrophobicContact CG2-CG1 4.13Å; V491-V518 PolarHBondContact N-O 2.87Å; V491-V518 PolarHBondContact O-N 3.03Å; P493-V518 HydrophobicContact CB-CG2 4.42Å; P493-V518 HydrophobicContact CG-CG2 4.36Å
519	A	97.8	Very high	94.1	Very high	8 Å²	8	48.4 Å²	48.4	7%	0.066	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	101.3	172.3	0	0	0	0	0	109.2	L191 F488 F490	L191-A519 HydrophobicContact CB-CB 4.4Å; L191-A519 HydrophobicContact CD1-CB 4.32Å; L191-A519 HydrophobicContact CD2-CB 4.47Å; F488-A519 HydrophobicContact CB-CB 4.35Å; F488-A519 HydrophobicContact CD1-CB 3.85Å; F488-A519 HydrophobicContact CE1-CB 4.46Å; F488-A519 HydrophobicContact CG-CB 4.2Å; F490-A519 HydrophobicContact CD1-CB 4.14Å; F490-A519 HydrophobicContact CE1-CB 3.92Å
520	C	97.4	Very high	94.5	Very high	26 Å²	26	50.9 Å²	50.9	18%	0.176	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.9	177.9	-67.9	0	0	0	0	110.1	E196 F488 Q489	E196-C520 PolarHBondContact OE2-SG 3.49Å; E196-C520 VanDerWaalsContact OE2-SG 3.37Å; F488-C520 CarbonylContact C-O 3.38Å; F488-C520 VanDerWaalsContact CA-O 3.24Å; F488-C520 WeakPolarHBondContact CA-O 3.44Å; Q489-C520 HydrophobicContact CB-CB 4.46Å; Q489-C520 PolarHBondContact N-O 3.12Å; Q489-C520 PolarHBondContact O-N 3Å
521	P	97.3	Very high	94.7	Very high	57 Å²	57	54 Å²	54	37%	0.37	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	142.6	177.8	-23.2	33.9	0	0	0	112.5	M192 D487 F488	M192-P521 HydrophobicContact CE-CB 4.49Å; M192-P521 HydrophobicContact CE-CG 4.11Å; M192-P521 HydrophobicContact SD-CB 4.04Å; M192-P521 HydrophobicContact SD-CG 3.68Å; D487-P521 CarbonylContact O-C 3.44Å; D487-P521 WeakPolarHBondContact O-CA 3.35Å; F488-P521 HydrophobicContact CD1-CG 4.42Å; F488-P521 HydrophobicContact CE1-CG 4.22Å
522	R	94.4	Very high	94.9	Very high	41 Å²	41	52.8 Å²	52.8	16%	0.155	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-96.9	157.1	173	-68.6	-173.5	177.5	-95.6	1.2	111.6	Y359 D487 F488 Q489	Y359-R522 VanDerWaalsContact CD1-NH1 3.27Å; Y359-R522 HydrophobicContact CE2-CB 3.97Å; Y359-R522 HydrophobicContact CE2-CG 4.26Å; D487-R522 PolarHBondContact O-N 3.16Å; F488-R522 PolarHBondContact O-NE 3.26Å; F488-R522 VanDerWaalsContact O-NE 3.1Å; Q489-R522 HydrophobicContact CB-CG 4.42Å
523	P	83.3	Confident	94.9	Very high	178 Å²	178	56.3 Å²	56.3	100%	1.156	33%	0.329	S	S	*	.			trans	-59.2	0	177.9	-23.2	34	0	0	0	114.9

Retrieved 523 of 523 residues in 576.9 ms (Link to these results)

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