A0A087XRB4_POEFO Loading...

Glycine receptor, alpha 1

AlphaFold DB , UniProt , Accession A0A087XRB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 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	44.4	Very low	44.7	Very low	219 Å²	219	159.8 Å²	159.8	100%	1.079	84%	0.835	S	S	*	*				0	135.2	0	172.1	165.1	148.6	0	0	108.7
2	K	42.9	Very low	45.5	Very low	177 Å²	177	158.7 Å²	158.7	77%	0.77	83%	0.83	S	S	*	*			trans	58.8	83.9	174.4	-65	174.9	176.9	179.8	0	118.1
3	L	38.8	Very low	46.2	Very low	185 Å²	185	149.7 Å²	149.7	97%	0.969	80%	0.799	S	S	*	*			trans	-155.4	38.4	144.6	-139.1	105.1	0	0	0	113.8
4	A	42.6	Very low	47.2	Very low	101 Å²	101	145.7 Å²	145.7	84%	0.835	78%	0.776	S	S	*	*	S	Bend	trans	-146.8	64.9	-177.4	0	0	0	0	0	111.8
5	K	44.4	Very low	47.8	Very low	207 Å²	207	147.2 Å²	147.2	90%	0.9	77%	0.769	S	S	*	*			trans	-153.4	16.3	175.9	-124.9	177.2	-174.1	-176.2	0	116
6	M	42.3	Very low	48.7	Very low	187 Å²	187	145.7 Å²	145.7	92%	0.921	76%	0.761	S	S	*	*	S	Bend	trans	-125.1	25.8	-164.5	-158.3	157.1	144.2	0	0	114.7
7	C	42	Very low	49.5	Very low	134 Å²	134	148.2 Å²	148.2	91%	0.905	76%	0.758	S	S	*	*	S	Bend	trans	-134.2	21.9	178.2	-98.9	0	0	0	0	114.8
8	R	43.9	Very low	50.4	Low	240 Å²	240	146.4 Å²	146.4	91%	0.906	75%	0.746	S	S	*	*	S	Bend	trans	-122.7	3.8	178.2	-118.6	-176.2	-172.4	-170.8	2.6	115.7
9	V	47.2	Very low	51.3	Low	118 Å²	118	142.4 Å²	142.4	72%	0.715	73%	0.73	S	S	*	*	S	Bend	trans	-102.8	-26.3	-175.5	-175.5	0	0	0	0	112.8	A11	V9-A11 PolarHBondContact O-N 3.5Å
10	N	50.6	Low	52.3	Low	130 Å²	130	139.8 Å²	139.8	70%	0.695	72%	0.72	S	S	*	*	H	α-helix	trans	-71.9	-29.8	-175.5	-96.9	14.7	0	0	0	115.2	I14	N10-I14 WeakPolarHBondContact O-CD1 3.45Å; N10-I14 WeakPolarHBondContact O-CG1 3.42Å; N10-I14 PolarHBondContact O-N 3.42Å
11	A	53	Low	52.9	Low	60 Å²	60	136.9 Å²	136.9	50%	0.496	71%	0.706	S	S	.	*	H	α-helix	trans	-67.5	-47.8	-174	0	0	0	0	0	112.8	V9 G13 I14 Y15	V9-A11 PolarHBondContact O-N 3.5Å; A11-G13 VanDerWaalsContact C-N 3.32Å; A11-G13 PolarHBondContact O-N 3.38Å; A11-I14 PolarHBondContact O-N 3.04Å; A11-Y15 WeakPolarHBondContact O-CD2 3.34Å; A11-Y15 PolarHBondContact O-N 3.47Å
12	L	54.3	Low	54	Low	146 Å²	146	134.1 Å²	134.1	76%	0.764	69%	0.688	S	S	*	*	H	α-helix	trans	-64	-37.7	179.1	-108.1	84.4	0	0	0	112.3	I14 L16	L12-I14 VanDerWaalsContact C-N 3.35Å; L12-I14 PolarHBondContact O-N 3.32Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 PolarHBondContact O-N 3.29Å
13	G	54	Low	55	Low	42 Å²	42	133.2 Å²	133.2	43%	0.433	68%	0.684	S	S	.	*	H	α-helix	trans	-61	-42.6	178.8	0	0	0	0	0	112.4	A11 L16 W17	A11-G13 VanDerWaalsContact C-N 3.32Å; A11-G13 PolarHBondContact O-N 3.38Å; G13-L16 PolarHBondContact O-N 2.95Å; G13-W17 WeakPolarHBondContact O-CB 3.22Å; G13-W17 PolarHBondContact O-N 3.44Å
14	I	60	Low	56.1	Low	94 Å²	94	128.1 Å²	128.1	48%	0.482	66%	0.664	S	S	.	*	H	α-helix	trans	-66.8	-47.3	-179.6	-65.9	164.7	0	0	0	111.1	N10 A11 L12 L16 W17 E18	N10-I14 WeakPolarHBondContact O-CD1 3.45Å; N10-I14 WeakPolarHBondContact O-CG1 3.42Å; N10-I14 PolarHBondContact O-N 3.42Å; A11-I14 PolarHBondContact O-N 3.04Å; L12-I14 VanDerWaalsContact C-N 3.35Å; L12-I14 PolarHBondContact O-N 3.32Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.14Å; I14-W17 PolarHBondContact O-N 3.39Å; I14-W17 VanDerWaalsContact O-N 3.14Å; I14-E18 PolarHBondContact O-N 3.1Å
15	Y	56.8	Low	56.9	Low	168 Å²	168	128.3 Å²	128.3	66%	0.659	65%	0.65	S	S	*	*	H	α-helix	trans	-63.6	-35.9	177.1	-73	-65.4	0	0	0	112.9	A11 T19	A11-Y15 WeakPolarHBondContact O-CD2 3.34Å; A11-Y15 PolarHBondContact O-N 3.47Å; Y15-T19 WeakPolarHBondContact O-CB 3.43Å; Y15-T19 WeakPolarHBondContact O-CG2 3.37Å; Y15-T19 PolarHBondContact O-N 2.87Å; Y15-T19 PolarHBondContact O-OG1 2.86Å
16	L	62.7	Low	57.7	Low	123 Å²	123	120.6 Å²	120.6	64%	0.644	63%	0.626	S	S	*	*	H	α-helix	trans	-68.1	-37.1	174.4	-152.1	80.2	0	0	0	111.5	L12 G13 I14 T19 V20	L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 PolarHBondContact O-N 3.29Å; G13-L16 PolarHBondContact O-N 2.95Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.14Å; L16-T19 WeakPolarHBondContact CA-OG1 3.24Å; L16-T19 PolarHBondContact O-OG1 3.44Å; L16-T19 VanDerWaalsContact O-OG1 3.1Å; L16-V20 WeakPolarHBondContact O-CB 3.36Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.01Å
17	W	62.1	Low	58.5	Low	188 Å²	188	114.4 Å²	114.4	71%	0.712	60%	0.604	S	S	*	*	H	α-helix	trans	-70.8	-43.1	178.2	-134.6	68.2	0	0	0	112.1	G13 I14 V20 L21	G13-W17 WeakPolarHBondContact O-CB 3.22Å; G13-W17 PolarHBondContact O-N 3.44Å; I14-W17 PolarHBondContact O-N 3.39Å; I14-W17 VanDerWaalsContact O-N 3.14Å; W17-V20 PolarHBondContact O-N 3.02Å; W17-L21 HydrophobicContact CD2-CD1 4.08Å; W17-L21 HydrophobicContact CE3-CD1 3.53Å; W17-L21 HydrophobicContact CH2-CD1 4.19Å; W17-L21 HydrophobicContact CZ3-CD1 3.6Å; W17-L21 WeakPolarHBondContact O-CB 3.22Å; W17-L21 PolarHBondContact O-N 3.32Å
18	E	65.8	Low	59.2	Low	117 Å²	117	111.7 Å²	111.7	55%	0.547	59%	0.586	S	S	.	*	H	α-helix	trans	-66.3	-39.8	175.9	-72.5	-155.8	160.7	0	0	112.6	I14 L21 F22	I14-E18 PolarHBondContact O-N 3.1Å; E18-L21 PolarHBondContact O-N 2.82Å; E18-F22 WeakPolarHBondContact O-CB 3.42Å; E18-F22 PolarHBondContact O-N 2.72Å
19	T	67.8	Low	59.8	Low	70 Å²	70	107.9 Å²	107.9	43%	0.429	58%	0.576	S	S	.	*	H	α-helix	trans	-66.4	-41.4	175.5	47.6	0	0	0	0	111.8	Y15 L16 F22 F23	Y15-T19 WeakPolarHBondContact O-CB 3.43Å; Y15-T19 WeakPolarHBondContact O-CG2 3.37Å; Y15-T19 PolarHBondContact O-N 2.87Å; Y15-T19 PolarHBondContact O-OG1 2.86Å; L16-T19 WeakPolarHBondContact CA-OG1 3.24Å; L16-T19 PolarHBondContact O-OG1 3.44Å; L16-T19 VanDerWaalsContact O-OG1 3.1Å; T19-F22 PolarHBondContact O-N 2.85Å; T19-F23 WeakPolarHBondContact O-CD2 3.35Å; T19-F23 PolarHBondContact O-N 3.34Å
20	V	69.8	Low	60	Low	90 Å²	90	109 Å²	109	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-63.9	-40.4	172.8	170.1	0	0	0	0	111.5	L16 W17 S24	L16-V20 WeakPolarHBondContact O-CB 3.36Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 3.01Å; W17-V20 PolarHBondContact O-N 3.02Å; V20-S24 VanDerWaalsContact O-CB 3.24Å; V20-S24 WeakPolarHBondContact O-CB 3.46Å; V20-S24 PolarHBondContact O-N 2.88Å
21	L	66.1	Low	60	Low	79 Å²	79	105.9 Å²	105.9	41%	0.414	57%	0.566	S	S	.	*	H	α-helix	trans	-62.4	-45.2	173.2	-113.9	99.5	0	0	0	111.5	W17 E18 S24 L25	W17-L21 HydrophobicContact CD2-CD1 4.08Å; W17-L21 HydrophobicContact CE3-CD1 3.53Å; W17-L21 HydrophobicContact CH2-CD1 4.19Å; W17-L21 HydrophobicContact CZ3-CD1 3.6Å; W17-L21 WeakPolarHBondContact O-CB 3.22Å; W17-L21 PolarHBondContact O-N 3.32Å; E18-L21 PolarHBondContact O-N 2.82Å; L21-S24 PolarHBondContact O-N 3.28Å; L21-L25 HydrophobicContact CD2-CD1 4.18Å; L21-L25 WeakPolarHBondContact O-CB 3.36Å; L21-L25 WeakPolarHBondContact O-CD1 3.09Å; L21-L25 PolarHBondContact O-N 3.42Å
22	F	66.6	Low	59.7	Low	160 Å²	160	105.4 Å²	105.4	70%	0.702	56%	0.562	S	S	*	*	H	α-helix	trans	-62.8	-44.7	178.3	-105.7	-88.1	0	0	0	112.1	E18 T19 L25 A26	E18-F22 WeakPolarHBondContact O-CB 3.42Å; E18-F22 PolarHBondContact O-N 2.72Å; T19-F22 PolarHBondContact O-N 2.85Å; F22-L25 PolarHBondContact O-N 2.81Å; F22-A26 VanDerWaalsContact O-CB 3.25Å; F22-A26 WeakPolarHBondContact O-CB 3.46Å; F22-A26 PolarHBondContact O-N 2.78Å
23	F	64	Low	59.2	Low	159 Å²	159	102.5 Å²	102.5	70%	0.697	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-37.9	174.6	-89.5	-75.9	0	0	0	112	T19 A26 A27	T19-F23 WeakPolarHBondContact O-CD2 3.35Å; T19-F23 PolarHBondContact O-N 3.34Å; F23-A26 PolarHBondContact O-N 3.39Å; F23-A27 VanDerWaalsContact O-CB 3.24Å; F23-A27 WeakPolarHBondContact O-CB 3.46Å; F23-A27 PolarHBondContact O-N 2.93Å
24	S	62.2	Low	58.7	Low	78 Å²	78	111.1 Å²	111.1	55%	0.545	58%	0.579	S	S	.	*	H	α-helix	trans	-71.1	-33	176.5	-161.4	0	0	0	0	112.6	V20 L21 S28	V20-S24 VanDerWaalsContact O-CB 3.24Å; V20-S24 WeakPolarHBondContact O-CB 3.46Å; V20-S24 PolarHBondContact O-N 2.88Å; L21-S24 PolarHBondContact O-N 3.28Å; S24-S28 WeakPolarHBondContact O-CB 3.25Å; S24-S28 PolarHBondContact O-N 2.85Å
25	L	60.1	Low	58	Low	104 Å²	104	114.6 Å²	114.6	55%	0.545	59%	0.59	S	S	.	*	H	α-helix	trans	-73.4	-35.9	171.8	-99.3	125.3	0	0	0	112.2	L21 F22 K29	L21-L25 HydrophobicContact CD2-CD1 4.18Å; L21-L25 WeakPolarHBondContact O-CB 3.36Å; L21-L25 WeakPolarHBondContact O-CD1 3.09Å; L21-L25 PolarHBondContact O-N 3.42Å; F22-L25 PolarHBondContact O-N 2.81Å; L25-K29 WeakPolarHBondContact O-CB 3.24Å; L25-K29 PolarHBondContact O-N 3.39Å
26	A	60.5	Low	57.6	Low	46 Å²	46	111 Å²	111	38%	0.38	60%	0.596	S	S	.	*	H	α-helix	trans	-66.7	-49.6	174	0	0	0	0	0	110.9	F22 F23 S28 K29 E30	F22-A26 VanDerWaalsContact O-CB 3.25Å; F22-A26 WeakPolarHBondContact O-CB 3.46Å; F22-A26 PolarHBondContact O-N 2.78Å; F23-A26 PolarHBondContact O-N 3.39Å; A26-S28 VanDerWaalsContact C-N 3.31Å; A26-S28 PolarHBondContact O-N 2.83Å; A26-K29 CarbonylContact O-C 3.55Å; A26-K29 WeakPolarHBondContact O-CA 3.25Å; A26-K29 WeakPolarHBondContact O-CB 3.4Å; A26-K29 PolarHBondContact O-N 2.84Å; A26-K29 VanDerWaalsContact O-N 3.07Å; A26-E30 PolarHBondContact O-N 2.84Å
27	A	59.4	Low	57.1	Low	56 Å²	56	109.7 Å²	109.7	46%	0.463	60%	0.602	S	S	.	*	H	α-helix	trans	-62.1	-37	174.6	0	0	0	0	0	112.2	F23 E30 A31	F23-A27 VanDerWaalsContact O-CB 3.24Å; F23-A27 WeakPolarHBondContact O-CB 3.46Å; F23-A27 PolarHBondContact O-N 2.93Å; A27-E30 PolarHBondContact O-N 3.42Å; A27-A31 VanDerWaalsContact O-CB 3.25Å; A27-A31 WeakPolarHBondContact O-CB 3.36Å; A27-A31 PolarHBondContact O-N 3.07Å
28	S	57.5	Low	56.9	Low	77 Å²	77	105.6 Å²	105.6	54%	0.538	60%	0.603	S	S	.	*	H	α-helix	trans	-69.9	-32.8	173.2	-168.2	0	0	0	0	112.3	S24 A26 A32	S24-S28 WeakPolarHBondContact O-CB 3.25Å; S24-S28 PolarHBondContact O-N 2.85Å; A26-S28 VanDerWaalsContact C-N 3.31Å; A26-S28 PolarHBondContact O-N 2.83Å; S28-A32 WeakPolarHBondContact O-CB 3.13Å; S28-A32 PolarHBondContact O-N 3.39Å
29	K	54.6	Low	57	Low	161 Å²	161	104.9 Å²	104.9	70%	0.7	61%	0.608	S	S	*	*	H	α-helix	trans	-67.8	-40.6	169.8	-98.1	-174.6	171.2	-177.6	0	112.6	L25 A26 A32 A33	L25-K29 WeakPolarHBondContact O-CB 3.24Å; L25-K29 PolarHBondContact O-N 3.39Å; A26-K29 CarbonylContact O-C 3.55Å; A26-K29 WeakPolarHBondContact O-CA 3.25Å; A26-K29 WeakPolarHBondContact O-CB 3.4Å; A26-K29 PolarHBondContact O-N 2.84Å; A26-K29 VanDerWaalsContact O-N 3.07Å; K29-A32 CarbonylContact O-C 3.59Å; K29-A32 PolarHBondContact O-N 2.78Å; K29-A33 VanDerWaalsContact O-CB 3.26Å; K29-A33 WeakPolarHBondContact O-CB 3.26Å; K29-A33 PolarHBondContact O-N 2.83Å
30	E	52.3	Low	57.4	Low	140 Å²	140	104.8 Å²	104.8	65%	0.654	60%	0.603	S	S	*	*	H	α-helix	trans	-70.6	-37.2	175.3	-75.3	-176.7	123.5	0	0	112	A26 A27 A33 R34	A26-E30 PolarHBondContact O-N 2.84Å; A27-E30 PolarHBondContact O-N 3.42Å; E30-A33 PolarHBondContact O-N 3.38Å; E30-R34 WeakPolarHBondContact O-CB 3.48Å; E30-R34 WeakPolarHBondContact O-CG 3.23Å; E30-R34 PolarHBondContact O-N 3.31Å
31	A	49.8	Very low	58	Low	65 Å²	65	103.5 Å²	103.5	54%	0.537	60%	0.597	S	S	.	*	H	α-helix	trans	-65.5	-37	170.5	0	0	0	0	0	112.2	A27 R34 K35	A27-A31 VanDerWaalsContact O-CB 3.25Å; A27-A31 WeakPolarHBondContact O-CB 3.36Å; A27-A31 PolarHBondContact O-N 3.07Å; A31-R34 CarbonylContact O-C 3.59Å; A31-R34 VanDerWaalsContact O-C 3.29Å; A31-R34 PolarHBondContact O-N 3.35Å; A31-K35 PolarHBondContact O-N 2.9Å
32	A	46.6	Very low	58.6	Low	50 Å²	50	102.9 Å²	102.9	41%	0.413	60%	0.598	S	S	.	*	H	α-helix	trans	-75.5	-28.1	174.9	0	0	0	0	0	113.3	S28 K29 R34 K35	S28-A32 WeakPolarHBondContact O-CB 3.13Å; S28-A32 PolarHBondContact O-N 3.39Å; K29-A32 CarbonylContact O-C 3.59Å; K29-A32 PolarHBondContact O-N 2.78Å; A32-R34 VanDerWaalsContact C-N 3.31Å; A32-K35 VanDerWaalsContact O-CB 3.23Å; A32-K35 WeakPolarHBondContact O-CB 3.3Å; A32-K35 VanDerWaalsContact O-CG 3.3Å; A32-K35 WeakPolarHBondContact O-CG 3.47Å; A32-K35 PolarHBondContact O-N 3.17Å; A32-K35 VanDerWaalsContact O-N 3.12Å
33	A	43.7	Very low	59.2	Low	85 Å²	85	99 Å²	99	70%	0.702	59%	0.59	S	S	*	*	H	α-helix	trans	-74.9	-23.6	169.5	0	0	0	0	0	112	K29 E30 K35	K29-A33 VanDerWaalsContact O-CB 3.26Å; K29-A33 WeakPolarHBondContact O-CB 3.26Å; K29-A33 PolarHBondContact O-N 2.83Å; E30-A33 PolarHBondContact O-N 3.38Å; A33-K35 VanDerWaalsContact C-N 3.25Å
34	R	45.2	Very low	60.2	Low	223 Å²	223	96.3 Å²	96.3	84%	0.842	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	19.5	162.1	-69.6	-176.2	178.5	-179.6	1.8	113.4	E30 A31 A32 A36	E30-R34 WeakPolarHBondContact O-CB 3.48Å; E30-R34 WeakPolarHBondContact O-CG 3.23Å; E30-R34 PolarHBondContact O-N 3.31Å; A31-R34 CarbonylContact O-C 3.59Å; A31-R34 VanDerWaalsContact O-C 3.29Å; A31-R34 PolarHBondContact O-N 3.35Å; A32-R34 VanDerWaalsContact C-N 3.31Å; R34-A36 PolarHBondContact O-N 3.12Å; R34-A36 VanDerWaalsContact O-N 3.17Å
35	K	43.9	Very low	61.4	Low	167 Å²	167	93 Å²	93	73%	0.726	56%	0.556	S	S	*	*	S	Bend	trans	-57.9	122.6	154.7	-84.5	-179.2	172.6	-176.3	0	106.9	A31 A32 A33 A37	A31-K35 PolarHBondContact O-N 2.9Å; A32-K35 VanDerWaalsContact O-CB 3.23Å; A32-K35 WeakPolarHBondContact O-CB 3.3Å; A32-K35 VanDerWaalsContact O-CG 3.3Å; A32-K35 WeakPolarHBondContact O-CG 3.47Å; A32-K35 PolarHBondContact O-N 3.17Å; A32-K35 VanDerWaalsContact O-N 3.12Å; A33-K35 VanDerWaalsContact C-N 3.25Å; K35-A37 PolarHBondContact O-N 3.28Å
36	A	48.4	Very low	62.6	Low	94 Å²	94	88.9 Å²	88.9	78%	0.777	53%	0.534	S	S	*	.			trans	-43.8	130.5	179.8	0	0	0	0	0	110.2	R34 S38	R34-A36 PolarHBondContact O-N 3.12Å; R34-A36 VanDerWaalsContact O-N 3.17Å; A36-S38 PolarHBondContact O-N 3.14Å; A36-S38 VanDerWaalsContact O-N 3.14Å
37	A	53.8	Low	63.8	Low	94 Å²	94	91.7 Å²	91.7	78%	0.777	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-49.6	125.7	163.2	0	0	0	0	0	106.8	K35	K35-A37 PolarHBondContact O-N 3.28Å
38	S	57.6	Low	65.1	Low	103 Å²	103	93.5 Å²	93.5	72%	0.72	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-51.5	129.2	174.2	46.8	0	0	0	0	107.8	A36 M40	A36-S38 PolarHBondContact O-N 3.14Å; A36-S38 VanDerWaalsContact O-N 3.14Å; S38-M40 PolarHBondContact O-N 3.21Å
39	P	68	Low	66.5	Low	102 Å²	102	90.8 Å²	90.8	66%	0.662	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-52.8	130.9	-178.7	21.1	-32	0	0	0	109
40	M	76.1	Confident	68	Low	67 Å²	67	84.1 Å²	84.1	33%	0.33	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-52	133.1	-177.4	178.5	176.1	-84.3	0	0	109.1	S38 E44 F45	S38-M40 PolarHBondContact O-N 3.21Å; M40-E44 HydrophobicContact CE-CG 4.24Å; M40-E44 HydrophobicContact CG-CB 3.92Å; M40-E44 HydrophobicContact CG-CG 4.05Å; M40-E44 HydrophobicContact SD-CB 4.31Å; M40-E44 HydrophobicContact SD-CG 4Å; M40-F45 HydrophobicContact CG-CB 4.28Å; M40-F45 HydrophobicContact SD-CB 4.07Å
41	P	81.8	Confident	69.5	Low	64 Å²	64	78.4 Å²	78.4	42%	0.416	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-58.5	140.5	-179.4	22.9	-32.4	0	0	0	110	S43 E44 F45	P41-S43 PolarHBondContact O-N 2.69Å; P41-E44 WeakPolarHBondContact CD-OE2 3.5Å; P41-E44 HydrophobicContact CG-CB 3.91Å; P41-E44 PolarHBondContact O-N 2.74Å; P41-F45 PolarHBondContact O-N 2.99Å
42	P	79.5	Confident	70.9	Confident	65 Å²	65	85.4 Å²	85.4	42%	0.422	49%	0.489	S	S	.	.	H	α-helix	trans	-52.9	-36.9	-173.2	-28.5	33.3	0	0	0	113.8	F45 L46	P42-F45 PolarHBondContact O-N 3.42Å; P42-L46 WeakPolarHBondContact O-CB 3.21Å; P42-L46 WeakPolarHBondContact O-CD1 3.47Å; P42-L46 WeakPolarHBondContact O-CG 3.24Å; P42-L46 PolarHBondContact O-N 2.97Å
43	S	79.2	Confident	72.6	Confident	79 Å²	79	89.6 Å²	89.6	55%	0.552	51%	0.509	S	S	*	.	H	α-helix	trans	-61.4	-46.3	177.9	53.6	0	0	0	0	113.2	P41 F45 L46 D47	P41-S43 PolarHBondContact O-N 2.69Å; S43-F45 VanDerWaalsContact C-N 3.32Å; S43-F45 PolarHBondContact O-N 2.64Å; S43-L46 PolarHBondContact O-N 3.47Å; S43-D47 PolarHBondContact O-N 2.9Å
44	E	84.9	Confident	74.4	Confident	102 Å²	102	88 Å²	88	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-67.2	-36.6	179.5	-174.2	-177.3	-177.8	0	0	111.1	M40 P41 K48	M40-E44 HydrophobicContact CE-CG 4.24Å; M40-E44 HydrophobicContact CG-CB 3.92Å; M40-E44 HydrophobicContact CG-CG 4.05Å; M40-E44 HydrophobicContact SD-CB 4.31Å; M40-E44 HydrophobicContact SD-CG 4Å; P41-E44 WeakPolarHBondContact CD-OE2 3.5Å; P41-E44 HydrophobicContact CG-CB 3.91Å; P41-E44 PolarHBondContact O-N 2.74Å; E44-K48 WeakPolarHBondContact O-CB 3.47Å; E44-K48 PolarHBondContact O-N 3.25Å
45	F	87.1	Confident	76.4	Confident	8 Å²	8	80.7 Å²	80.7	4%	0.035	49%	0.487	C	S	.	.	H	α-helix	trans	-63.6	-41.2	173.4	175.3	-95.9	0	0	0	112.1	M40 P41 P42 S43 K48 L49 Y107 E109 Y110 L115	M40-F45 HydrophobicContact CG-CB 4.28Å; M40-F45 HydrophobicContact SD-CB 4.07Å; P41-F45 PolarHBondContact O-N 2.99Å; P42-F45 PolarHBondContact O-N 3.42Å; S43-F45 VanDerWaalsContact C-N 3.32Å; S43-F45 PolarHBondContact O-N 2.64Å; F45-K48 WeakPolarHBondContact O-CB 3.43Å; F45-K48 PolarHBondContact O-N 2.7Å; F45-L49 HydrophobicContact CE1-CD1 4.36Å; F45-L49 HydrophobicContact CZ-CD1 4.02Å; F45-L49 PolarHBondContact O-N 3.46Å; F45-Y107 HydrophobicContact CE1-CD2 4.49Å; F45-Y107 HydrophobicContact CE1-CG 4.3Å; F45-Y107 HydrophobicContact CZ-CD1 4.39Å; F45-Y107 HydrophobicContact CZ-CD2 4Å; F45-Y107 AromaticContact CZ-CG 3.75Å; F45-Y107 HydrophobicContact CZ-CG 3.75Å; F45-E109 HydrophobicContact CE2-CB 4.44Å; F45-Y110 HydrophobicContact CD1-CD2 4.39Å; F45-Y110 HydrophobicContact CD2-CD2 4.48Å; F45-Y110 HydrophobicContact CG-CD2 4.17Å; F45-L115 HydrophobicContact CD1-CD1 3.86Å; F45-L115 HydrophobicContact CE1-CD1 3.44Å; F45-L115 VanDerWaalsContact CE1-CD1 3.44Å
46	L	85.2	Confident	78.7	Confident	19 Å²	19	73.9 Å²	73.9	10%	0.099	46%	0.457	C	S	.	.	H	α-helix	trans	-72.2	-37.2	178.2	-68	168.7	0	0	0	112.6	P42 S43 K48 L49 M50 L115 L117 M121	P42-L46 WeakPolarHBondContact O-CB 3.21Å; P42-L46 WeakPolarHBondContact O-CD1 3.47Å; P42-L46 WeakPolarHBondContact O-CG 3.24Å; P42-L46 PolarHBondContact O-N 2.97Å; S43-L46 PolarHBondContact O-N 3.47Å; L46-K48 VanDerWaalsContact C-N 3.29Å; L46-K48 PolarHBondContact O-N 2.97Å; L46-L49 PolarHBondContact O-N 2.84Å; L46-L49 VanDerWaalsContact O-N 3.15Å; L46-M50 HydrophobicContact CB-CE 4Å; L46-M50 HydrophobicContact CD2-CE 4.03Å; L46-M50 PolarHBondContact O-N 3.38Å; L46-L115 HydrophobicContact CD2-CD1 4.35Å; L46-L117 HydrophobicContact CD1-CD2 3.4Å; L46-L117 HydrophobicContact CD2-CD2 3.66Å; L46-L117 HydrophobicContact CG-CD2 4.11Å; L46-M121 HydrophobicContact CB-CE 3.76Å; L46-M121 HydrophobicContact CD1-CE 3.89Å; L46-M121 HydrophobicContact CG-CE 4.37Å
47	D	85.3	Confident	80.8	Confident	105 Å²	105	71.3 Å²	71.3	56%	0.561	43%	0.43	S	S	*	.	H	α-helix	trans	-63.9	-34.3	170.5	-75.7	-29.3	0	0	0	111.7	S43 G51	S43-D47 PolarHBondContact O-N 2.9Å; D47-G51 WeakPolarHBondContact O-CA 3.38Å; D47-G51 PolarHBondContact O-N 3.31Å
48	K	86.9	Confident	82.7	Confident	93 Å²	93	68.1 Å²	68.1	40%	0.404	40%	0.403	S	S	.	.	H	α-helix	trans	-68.1	-33.9	171.3	178.4	-179.9	171.1	-177	0	112.5	E44 F45 L46 S54 E109	E44-K48 WeakPolarHBondContact O-CB 3.47Å; E44-K48 PolarHBondContact O-N 3.25Å; F45-K48 WeakPolarHBondContact O-CB 3.43Å; F45-K48 PolarHBondContact O-N 2.7Å; L46-K48 VanDerWaalsContact C-N 3.29Å; L46-K48 PolarHBondContact O-N 2.97Å; K48-S54 WeakPolarHBondContact O-CB 3.35Å; K48-E109 IonicContact NZ-OE1 3.92Å; K48-E109 PolarHBondContact NZ-OE1 2.84Å; K48-E109 IonicContact NZ-OE2 3.17Å; K48-E109 PolarHBondContact NZ-OE2 2.83Å
49	L	86.6	Confident	84.3	Confident	21 Å²	21	72.9 Å²	72.9	11%	0.11	41%	0.405	C	S	.	.	H	α-helix	trans	-79.5	-39.8	-178.2	-161.9	98.8	0	0	0	113.1	F45 L46 S54 L105 I152	F45-L49 HydrophobicContact CE1-CD1 4.36Å; F45-L49 HydrophobicContact CZ-CD1 4.02Å; F45-L49 PolarHBondContact O-N 3.46Å; L46-L49 PolarHBondContact O-N 2.84Å; L46-L49 VanDerWaalsContact O-N 3.15Å; L49-S54 PolarHBondContact O-OG 3.47Å; L49-L105 HydrophobicContact CD2-CB 4.25Å; L49-L105 HydrophobicContact CD2-CD2 3.65Å; L49-L105 HydrophobicContact CG-CD2 4.3Å; L49-I152 HydrophobicContact CD2-CD1 4.41Å
50	M	86.2	Confident	85.6	Confident	20 Å²	20	71.2 Å²	71.2	10%	0.099	39%	0.39	C	S	.	.	H	α-helix	trans	-119.7	-11	-171.5	-63.3	176.8	-67.4	0	0	114.2	L46 L105 L117 M121 I125	L46-M50 HydrophobicContact CB-CE 4Å; L46-M50 HydrophobicContact CD2-CE 4.03Å; L46-M50 PolarHBondContact O-N 3.38Å; M50-L105 HydrophobicContact CG-CD2 4Å; M50-L117 HydrophobicContact CE-CD2 4.5Å; M50-M121 HydrophobicContact CE-CE 3.56Å; M50-M121 HydrophobicContact CE-SD 4.46Å; M50-I125 HydrophobicContact SD-CG2 3.45Å; M50-I125 WeakPolarHBondContact SD-CG2 3.34Å
51	G	83.4	Confident	86.6	Confident	21 Å²	21	68.4 Å²	68.4	22%	0.216	38%	0.376	C	S	.	.	S	Bend	trans	-71.5	164.2	179.2	0	0	0	0	0	112.9	D47 V53 S54	D47-G51 WeakPolarHBondContact O-CA 3.38Å; D47-G51 PolarHBondContact O-N 3.31Å; G51-V53 PolarHBondContact O-N 2.75Å; G51-S54 WeakPolarHBondContact O-CB 3.37Å; G51-S54 PolarHBondContact O-N 2.95Å; G51-S54 PolarHBondContact O-OG 3.22Å
52	K	80.5	Confident	87.3	Confident	212 Å²	212	65.4 Å²	65.4	92%	0.922	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.6	-172.8	-62.4	-178.4	-178.5	177	0	115.1
53	V	81.3	Confident	88	Confident	137 Å²	137	65.6 Å²	65.6	83%	0.83	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-20.2	178.7	-62.8	0	0	0	0	113.7	G51	G51-V53 PolarHBondContact O-N 2.75Å
54	S	81.8	Confident	88.7	Confident	52 Å²	52	67.9 Å²	67.9	36%	0.364	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22	179.8	66.8	0	0	0	0	113.7	K48 L49 G51 Y56	K48-S54 WeakPolarHBondContact O-CB 3.35Å; L49-S54 PolarHBondContact O-OG 3.47Å; G51-S54 WeakPolarHBondContact O-CB 3.37Å; G51-S54 PolarHBondContact O-N 2.95Å; G51-S54 PolarHBondContact O-OG 3.22Å; S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 VanDerWaalsContact OG-CB 3.26Å; S54-Y56 WeakPolarHBondContact OG-CB 3.4Å; S54-Y56 PolarHBondContact OG-N 3.39Å
55	G	87.3	Confident	89.2	Confident	70 Å²	70	71.7 Å²	71.7	72%	0.722	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	6.5	-166.7	0	0	0	0	0	114.5	D57	G55-D57 PolarHBondContact O-N 3.33Å
56	Y	92.8	Very high	89.6	Confident	24 Å²	24	73.1 Å²	73.1	9%	0.094	39%	0.386	C	S	.	.			trans	-66.1	129.8	173.1	-167.1	-88.7	0	0	0	111.1	S54 A58 D102 R104 L105 S124 W126	S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 VanDerWaalsContact OG-CB 3.26Å; S54-Y56 WeakPolarHBondContact OG-CB 3.4Å; S54-Y56 PolarHBondContact OG-N 3.39Å; Y56-A58 HydrophobicContact CE1-CB 4.12Å; Y56-D102 WeakPolarHBondContact CE2-OD2 3.41Å; Y56-D102 PolarHBondContact OH-OD2 3.09Å; Y56-R104 HydrophobicContact CD2-CB 3.78Å; Y56-R104 HydrophobicContact CE2-CB 3.89Å; Y56-R104 PolarHBondContact OH-NH2 2.73Å; Y56-L105 HydrophobicContact CD2-CD2 3.88Å; Y56-L105 HydrophobicContact CD2-CG 4.48Å; Y56-L105 HydrophobicContact CE2-CD1 4.29Å; Y56-L105 HydrophobicContact CE2-CD2 3.51Å; Y56-L105 HydrophobicContact CE2-CG 3.76Å; Y56-S124 VanDerWaalsContact CE1-O 3.31Å; Y56-S124 WeakPolarHBondContact CE1-O 3.44Å; Y56-W126 PolarHBondContact OH-N 2.82Å
57	D	92.6	Very high	90.2	Very high	40 Å²	40	76.2 Å²	76.2	21%	0.214	41%	0.407	C	S	.	.			trans	-128.3	108.2	173.9	-170.2	-18.5	0	0	0	109.6	G55 R59 I60 R104	G55-D57 PolarHBondContact O-N 3.33Å; D57-R59 PolarHBondContact O-N 3.46Å; D57-R59 VanDerWaalsContact O-N 3.13Å; D57-R59 VanDerWaalsContact OD1-CB 3.28Å; D57-R59 WeakPolarHBondContact OD1-CB 3.32Å; D57-R59 WeakPolarHBondContact OD1-CG 3.44Å; D57-R59 IonicContact OD1-CZ 2.75Å; D57-R59 PolarHBondContact OD1-N 2.92Å; D57-R59 IonicContact OD1-NE 3.55Å; D57-R59 PolarHBondContact OD1-NE 3.03Å; D57-R59 IonicContact OD1-NH2 2.83Å; D57-R59 IonicContact OD2-CZ 3.45Å; D57-R59 IonicContact OD2-NE 3.62Å; D57-R59 PolarHBondContact OD2-NE 3.06Å; D57-R59 IonicContact OD2-NH2 3.37Å; D57-R59 PolarHBondContact OD2-NH2 2.82Å; D57-I60 HydrophobicContact CB-CD1 4.2Å; D57-I60 HydrophobicContact CB-CG1 4.31Å; D57-I60 PolarHBondContact O-N 3.2Å; D57-I60 VanDerWaalsContact O-N 3.1Å; D57-R104 PolarHBondContact O-NH1 3.42Å
58	A	92.4	Very high	90.7	Very high	27 Å²	27	73 Å²	73	22%	0.223	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18	179.8	0	0	0	0	0	113.9	Y56 I60 W126	Y56-A58 HydrophobicContact CE1-CB 4.12Å; A58-I60 VanDerWaalsContact C-N 3.31Å; A58-W126 WeakPolarHBondContact O-CA 3.23Å; A58-W126 WeakPolarHBondContact O-CB 3.34Å
59	R	92.6	Very high	91.3	Very high	202 Å²	202	68.8 Å²	68.8	76%	0.762	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.1	178.6	-56	169.4	-65	177.7	4.1	112.5	D57	D57-R59 PolarHBondContact O-N 3.46Å; D57-R59 VanDerWaalsContact O-N 3.13Å; D57-R59 VanDerWaalsContact OD1-CB 3.28Å; D57-R59 WeakPolarHBondContact OD1-CB 3.32Å; D57-R59 WeakPolarHBondContact OD1-CG 3.44Å; D57-R59 IonicContact OD1-CZ 2.75Å; D57-R59 PolarHBondContact OD1-N 2.92Å; D57-R59 IonicContact OD1-NE 3.55Å; D57-R59 PolarHBondContact OD1-NE 3.03Å; D57-R59 IonicContact OD1-NH2 2.83Å; D57-R59 IonicContact OD2-CZ 3.45Å; D57-R59 IonicContact OD2-NE 3.62Å; D57-R59 PolarHBondContact OD2-NE 3.06Å; D57-R59 IonicContact OD2-NH2 3.37Å; D57-R59 PolarHBondContact OD2-NH2 2.82Å
60	I	94.8	Very high	91.8	Very high	67 Å²	67	71.4 Å²	71.4	34%	0.344	39%	0.388	S	S	.	.	S	Bend	trans	-105.8	126.4	-176.1	-58.1	178.8	0	0	0	109	D57 A58 F64 R104	D57-I60 HydrophobicContact CB-CD1 4.2Å; D57-I60 HydrophobicContact CB-CG1 4.31Å; D57-I60 PolarHBondContact O-N 3.2Å; D57-I60 VanDerWaalsContact O-N 3.1Å; A58-I60 VanDerWaalsContact C-N 3.31Å; I60-F64 HydrophobicContact CG2-CB 3.7Å; I60-F64 HydrophobicContact CG2-CD1 4.32Å; I60-F64 HydrophobicContact CG2-CD2 3.98Å; I60-F64 HydrophobicContact CG2-CG 3.75Å; I60-R104 PolarHBondContact O-NH1 3.02Å; I60-R104 PolarHBondContact O-NH2 3.1Å; I60-R104 VanDerWaalsContact O-NH2 3.08Å
61	R	95.8	Very high	92.4	Very high	9 Å²	9	70.4 Å²	70.4	3%	0.034	38%	0.383	C	S	.	.			trans	-60.9	150.9	177.9	71.2	166.4	-174.9	91.3	-15.8	112.1	N63 F64 G66 P67 W126 Y193 D197	R61-N63 PolarHBondContact NH1-O 3.09Å; R61-F64 HydrophobicContact CG-CD2 4.36Å; R61-G66 PolarHBondContact NH2-O 2.88Å; R61-P67 PolarHBondContact NH1-O 3.4Å; R61-P67 PolarHBondContact NH2-O 2.98Å; R61-W126 HydrophobicContact CB-CD2 4.48Å; R61-W126 HydrophobicContact CB-CZ2 3.88Å; R61-Y193 HydrophobicContact CB-CE1 4.35Å; R61-D197 IonicContact CZ-OD1 3.69Å; R61-D197 IonicContact NE-OD1 3.42Å; R61-D197 PolarHBondContact NE-OD1 2.88Å; R61-D197 IonicContact NH2-OD1 2.99Å; R61-D197 PolarHBondContact NH2-OD1 3.12Å
62	P	96.3	Very high	93.1	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	148.9	165.8	-23.9	31.7	0	0	0	111.8	F64 V69 D102 W126	P62-F64 VanDerWaalsContact C-N 3.26Å; P62-F64 PolarHBondContact O-N 3.47Å; P62-V69 HydrophobicContact CB-CG2 4.02Å; P62-V69 HydrophobicContact CG-CG2 4.32Å; P62-V69 WeakPolarHBondContact O-CG2 3.46Å; P62-D102 HydrophobicContact CB-CB 4.33Å; P62-D102 HydrophobicContact CG-CB 3.85Å; P62-W126 VanDerWaalsContact CD-CD2 3.45Å; P62-W126 HydrophobicContact CG-CD2 4.37Å; P62-W126 HydrophobicContact CG-CE3 3.83Å; P62-W126 HydrophobicContact CG-CZ3 4.11Å
63	N	94.6	Very high	93.9	Very high	70 Å²	70	61.4 Å²	61.4	37%	0.374	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	37.9	177.9	-56.5	-36.9	0	0	0	114.1	R61 K65 G66	R61-N63 PolarHBondContact NH1-O 3.09Å; N63-K65 PolarHBondContact O-N 3.01Å; N63-G66 CarbonylContact O-C 3.58Å; N63-G66 VanDerWaalsContact O-CA 3.26Å; N63-G66 WeakPolarHBondContact O-CA 3.44Å; N63-G66 PolarHBondContact O-N 3.43Å
64	F	95.3	Very high	94.6	Very high	127 Å²	127	55.2 Å²	55.2	56%	0.557	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	133.8	179.4	-173.8	-112.3	0	0	0	112.4	I60 R61 P62 G66	I60-F64 HydrophobicContact CG2-CB 3.7Å; I60-F64 HydrophobicContact CG2-CD1 4.32Å; I60-F64 HydrophobicContact CG2-CD2 3.98Å; I60-F64 HydrophobicContact CG2-CG 3.75Å; R61-F64 HydrophobicContact CG-CD2 4.36Å; P62-F64 VanDerWaalsContact C-N 3.26Å; P62-F64 PolarHBondContact O-N 3.47Å; F64-G66 PolarHBondContact O-N 2.87Å
65	K	94.5	Very high	95.4	Very high	182 Å²	182	52.7 Å²	52.7	79%	0.791	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	1.8	-169	-58.1	-65	-175.4	-179.5	0	116	N63	N63-K65 PolarHBondContact O-N 3.01Å
66	G	95.4	Very high	95.8	Very high	37 Å²	37	51.5 Å²	51.5	38%	0.381	26%	0.262	S	S	.	.	S	Bend	trans	-102.3	-155.8	170.1	0	0	0	0	0	112.4	R61 N63 F64	R61-G66 PolarHBondContact NH2-O 2.88Å; N63-G66 CarbonylContact O-C 3.58Å; N63-G66 VanDerWaalsContact O-CA 3.26Å; N63-G66 WeakPolarHBondContact O-CA 3.44Å; N63-G66 PolarHBondContact O-N 3.43Å; F64-G66 PolarHBondContact O-N 2.87Å
67	P	97.3	Very high	96.1	Very high	84 Å²	84	50.3 Å²	50.3	55%	0.545	26%	0.257	S	S	.	.	S	Bend	trans	-60.3	163.9	-177.1	26.8	-35.8	0	0	0	113	R61	R61-P67 PolarHBondContact NH1-O 3.4Å; R61-P67 PolarHBondContact NH2-O 2.98Å
68	P	97.4	Very high	96.2	Very high	38 Å²	38	51.3 Å²	51.3	25%	0.247	26%	0.262	C	S	.	.			trans	-59.8	153.6	170.4	26.1	-34.6	0	0	0	111.3	D197 I199	P68-D197 CarbonylContact C-O 3.57Å; P68-D197 WeakPolarHBondContact CA-O 3.5Å; P68-I199 HydrophobicContact CB-CD1 4.04Å; P68-I199 HydrophobicContact CB-CG1 4.02Å; P68-I199 HydrophobicContact CG-CD1 3.7Å; P68-I199 HydrophobicContact CG-CG1 4.26Å
69	V	98.1	Very high	96.3	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	113.4	169.8	-174.8	0	0	0	0	108	P62 V71 W100 W126 D197 L198 I199	P62-V69 HydrophobicContact CB-CG2 4.02Å; P62-V69 HydrophobicContact CG-CG2 4.32Å; P62-V69 WeakPolarHBondContact O-CG2 3.46Å; V69-V71 HydrophobicContact CG1-CG2 4.02Å; V69-W100 HydrophobicContact CG1-CB 4.06Å; V69-W126 HydrophobicContact CB-CH2 4.42Å; V69-W126 HydrophobicContact CG1-CH2 4.19Å; V69-W126 HydrophobicContact CG1-CZ3 4.19Å; V69-W126 HydrophobicContact CG2-CH2 4.5Å; V69-D197 PolarHBondContact N-O 2.9Å; V69-L198 WeakPolarHBondContact O-CA 3.42Å; V69-I199 PolarHBondContact O-N 3.12Å
70	N	97.8	Very high	96.5	Very high	76 Å²	76	43.6 Å²	43.6	41%	0.406	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	123.8	169.8	-68.7	18.9	0	0	0	108.5
71	V	98.1	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	108.8	178.7	-176.2	0	0	0	0	108.1	V69 Q98 Q99 W100 P128 L198 I199 F200 E201	V69-V71 HydrophobicContact CG1-CG2 4.02Å; V71-Q98 HydrophobicContact CG1-CB 4.1Å; V71-Q99 CarbonylContact C-O 3.56Å; V71-Q99 WeakPolarHBondContact CA-O 3.45Å; V71-W100 HydrophobicContact CG2-CB 4.1Å; V71-P128 HydrophobicContact CG1-CG 4.16Å; V71-P128 HydrophobicContact CG2-CB 4.17Å; V71-P128 HydrophobicContact CG2-CG 4.46Å; V71-L198 HydrophobicContact CG2-CD2 4.22Å; V71-L198 HydrophobicContact CG2-CG 4.24Å; V71-I199 PolarHBondContact N-O 2.69Å; V71-F200 HydrophobicContact CB-CD1 3.73Å; V71-F200 HydrophobicContact CB-CE1 3.86Å; V71-F200 HydrophobicContact CG1-CD1 3.98Å; V71-F200 HydrophobicContact CG1-CE1 3.84Å; V71-F200 HydrophobicContact CG2-CE1 4.35Å; V71-F200 WeakPolarHBondContact O-CA 3.15Å; V71-E201 PolarHBondContact O-N 2.95Å
72	T	97.9	Very high	96.2	Very high	43 Å²	43	44.9 Å²	44.9	26%	0.264	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.4	178	-48.3	0	0	0	0	109.9	Q99 E201 D203	T72-Q99 PolarHBondContact N-O 3.4Å; T72-Q99 PolarHBondContact O-N 2.9Å; T72-E201 CarbonylContact C-O 3.58Å; T72-E201 WeakPolarHBondContact CA-O 3.33Å; T72-D203 HydrophobicContact CG2-CB 3.87Å
73	C	97.8	Very high	96.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138	-176.4	-69.1	0	0	0	0	111.4	R97 E201 W202 D203 I242	C73-R97 WeakPolarHBondContact CA-O 3.43Å; C73-E201 PolarHBondContact N-O 2.72Å; C73-W202 HydrophobicContact CB-CE3 4.37Å; C73-W202 HydrophobicContact CB-CZ3 4.41Å; C73-D203 PolarHBondContact O-N 3.38Å; C73-I242 HydrophobicContact CB-CD1 3.7Å
74	N	96.6	Very high	96.2	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.9	160.1	68	66	0	0	0	111.1	R97 D203 A207	N74-R97 PolarHBondContact N-O 2.97Å; N74-R97 PolarHBondContact O-N 3.43Å; N74-R97 WeakPolarHBondContact OD1-CB 3.36Å; N74-R97 VanDerWaalsContact OD1-CD 3.24Å; N74-R97 WeakPolarHBondContact OD1-CD 3.35Å; N74-R97 VanDerWaalsContact OD1-CG 3.3Å; N74-R97 WeakPolarHBondContact OD1-CG 3.29Å; N74-R97 PolarHBondContact OD1-NH1 3.15Å; N74-D203 HydrophobicContact CB-CB 3.84Å; N74-D203 PolarHBondContact ND2-OD2 3.08Å; N74-A207 CarbonylContact C-O 3.6Å; N74-A207 WeakPolarHBondContact CA-O 3.42Å
75	I	97.4	Very high	96.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.9	179.3	60.9	173.8	0	0	0	110.6	I94 F95 L96 M186 W202 A207 V208 Q209 F246	I75-I94 HydrophobicContact CG2-CD1 4.33Å; I75-F95 WeakPolarHBondContact CA-O 3.45Å; I75-L96 HydrophobicContact CG2-CD1 3.84Å; I75-M186 HydrophobicContact CD1-CE 4.45Å; I75-M186 HydrophobicContact CD1-SD 3.81Å; I75-W202 HydrophobicContact CD1-CH2 4.42Å; I75-W202 HydrophobicContact CG1-CZ3 4.41Å; I75-W202 HydrophobicContact CG2-CZ3 4.43Å; I75-A207 PolarHBondContact N-O 2.93Å; I75-V208 HydrophobicContact CD1-CG1 4.32Å; I75-V208 HydrophobicContact CD1-CG2 3.98Å; I75-V208 HydrophobicContact CG1-CB 4.29Å; I75-V208 HydrophobicContact CG1-CG1 4.25Å; I75-V208 HydrophobicContact CG1-CG2 3.85Å; I75-Q209 PolarHBondContact O-N 2.88Å; I75-F246 HydrophobicContact CD1-CZ 4.19Å
76	F	97.3	Very high	96.1	Very high	44 Å²	44	33.7 Å²	33.7	19%	0.193	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.1	169.6	179.1	-86.1	0	0	0	109.3	N78 I94 F95 Q209 A211	F76-N78 HydrophobicContact CD1-CB 4.19Å; F76-N78 HydrophobicContact CE1-CB 4.05Å; F76-N78 PolarHBondContact O-N 3.02Å; F76-I94 CarbonylContact O-C 3.6Å; F76-I94 VanDerWaalsContact O-CA 3.23Å; F76-I94 WeakPolarHBondContact O-CA 3.43Å; F76-F95 HydrophobicContact CB-CB 4.21Å; F76-F95 HydrophobicContact CB-CD2 4.1Å; F76-F95 AromaticContact CD1-CD2 3.49Å; F76-F95 HydrophobicContact CD1-CD2 3.49Å; F76-F95 VanDerWaalsContact CD1-CD2 3.49Å; F76-F95 AromaticContact CD1-CE2 3.76Å; F76-F95 HydrophobicContact CD1-CE2 3.76Å; F76-F95 HydrophobicContact CD1-CG 4.38Å; F76-F95 HydrophobicContact CE1-CD2 4.26Å; F76-F95 HydrophobicContact CE1-CE2 4.07Å; F76-F95 HydrophobicContact CG-CD2 4.05Å; F76-F95 PolarHBondContact N-O 2.83Å; F76-F95 PolarHBondContact O-N 2.94Å; F76-Q209 WeakPolarHBondContact CA-O 3.16Å; F76-Q209 HydrophobicContact CB-CB 4.35Å; F76-Q209 HydrophobicContact CD2-CB 3.59Å; F76-Q209 HydrophobicContact CE2-CB 4.36Å; F76-Q209 HydrophobicContact CG-CB 4.38Å; F76-A211 HydrophobicContact CE1-CB 4.06Å; F76-A211 HydrophobicContact CZ-CB 3.79Å
77	I	97.3	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	102.1	179.1	-59.4	176.9	0	0	0	108.8	F80 V92 I94 V208 Q209 V210 A211 L214 F246	I77-F80 HydrophobicContact CG2-CB 4.1Å; I77-F80 HydrophobicContact CG2-CD2 4.28Å; I77-V92 HydrophobicContact CG2-CG2 3.94Å; I77-I94 HydrophobicContact CG1-CG2 4.22Å; I77-V208 HydrophobicContact CD1-CG1 4.18Å; I77-Q209 PolarHBondContact N-O 3.02Å; I77-V210 HydrophobicContact CD1-CG2 4.41Å; I77-A211 WeakPolarHBondContact O-CB 3.29Å; I77-A211 PolarHBondContact O-N 3.34Å; I77-L214 HydrophobicContact CG2-CD2 3.93Å; I77-F246 HydrophobicContact CD1-CD1 4.25Å; I77-F246 HydrophobicContact CD1-CE1 3.43Å; I77-F246 VanDerWaalsContact CD1-CE1 3.43Å; I77-F246 HydrophobicContact CD1-CZ 3.73Å
78	N	95.6	Very high	96	Very high	61 Å²	61	34 Å²	34	33%	0.326	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-30.9	177.5	179.9	63.3	0	0	0	112.1	F76 N93 F95	F76-N78 HydrophobicContact CD1-CB 4.19Å; F76-N78 HydrophobicContact CE1-CB 4.05Å; F76-N78 PolarHBondContact O-N 3.02Å; N78-N93 PolarHBondContact N-O 2.99Å; N78-N93 PolarHBondContact ND2-OD1 2.82Å; N78-F95 HydrophobicContact CB-CZ 4.42Å
79	S	95.3	Very high	96	Very high	59 Å²	59	33.2 Å²	33.2	41%	0.413	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	143.1	171.8	-175.4	0	0	0	0	110.5	V92 N93	S79-V92 CarbonylContact O-C 3.54Å; S79-V92 WeakPolarHBondContact O-CA 3.37Å; S79-V92 WeakPolarHBondContact O-CG2 3.44Å; S79-N93 PolarHBondContact N-O 2.84Å; S79-N93 PolarHBondContact O-N 2.9Å
80	F	95.9	Very high	96	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.7	173.8	-161.2	-73	0	0	0	106.5	I77 I83 Y90 V92 L214 L216 F246 L248	I77-F80 HydrophobicContact CG2-CB 4.1Å; I77-F80 HydrophobicContact CG2-CD2 4.28Å; F80-I83 HydrophobicContact CE1-CD1 4.08Å; F80-I83 HydrophobicContact CE1-CG1 4.21Å; F80-Y90 AromaticContact CE1-CD2 3.84Å; F80-Y90 HydrophobicContact CE1-CD2 3.84Å; F80-Y90 HydrophobicContact CE1-CE2 4.49Å; F80-Y90 HydrophobicContact CE1-CG 4.47Å; F80-Y90 AromaticContact CE2-CD2 3.81Å; F80-Y90 HydrophobicContact CE2-CD2 3.81Å; F80-Y90 AromaticContact CE2-CE2 3.68Å; F80-Y90 HydrophobicContact CE2-CE2 3.68Å; F80-Y90 AromaticContact CZ-CD2 3.37Å; F80-Y90 HydrophobicContact CZ-CD2 3.37Å; F80-Y90 AromaticContact CZ-CE2 3.59Å; F80-Y90 HydrophobicContact CZ-CE2 3.59Å; F80-Y90 HydrophobicContact CZ-CG 4.22Å; F80-V92 HydrophobicContact CD2-CB 4.38Å; F80-V92 HydrophobicContact CD2-CG2 3.83Å; F80-V92 HydrophobicContact CE2-CG2 4.47Å; F80-V92 HydrophobicContact CG-CG2 4.5Å; F80-L214 HydrophobicContact CB-CD2 3.97Å; F80-L216 HydrophobicContact CB-CD2 4.21Å; F80-L216 HydrophobicContact CD1-CD1 3.96Å; F80-L216 HydrophobicContact CD1-CD2 3.93Å; F80-L216 HydrophobicContact CE1-CD1 4.43Å; F80-L216 WeakPolarHBondContact O-CD2 3.35Å; F80-F246 HydrophobicContact CE2-CB 4.36Å; F80-F246 HydrophobicContact CE2-CD2 4.03Å; F80-F246 HydrophobicContact CE2-CG 4.04Å; F80-F246 HydrophobicContact CZ-CB 4.39Å; F80-L248 HydrophobicContact CE1-CD1 3.89Å; F80-L248 HydrophobicContact CE1-CD2 3.89Å; F80-L248 HydrophobicContact CZ-CD1 4.01Å; F80-L248 HydrophobicContact CZ-CD2 4.18Å
81	G	92.8	Very high	96	Very high	15 Å²	15	35.7 Å²	35.7	16%	0.155	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-164.8	-178.4	0	0	0	0	0	114.3	I83 R91	G81-I83 PolarHBondContact O-N 2.88Å; G81-I83 VanDerWaalsContact O-N 3.08Å; G81-R91 PolarHBondContact N-O 2.88Å; G81-R91 PolarHBondContact O-N 3.48Å
82	S	92.7	Very high	95.9	Very high	88 Å²	88	35.8 Å²	35.8	62%	0.615	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	45.3	41.4	-176.8	-53.6	0	0	0	0	113	A84	S82-A84 PolarHBondContact O-N 2.84Å
83	I	95.8	Very high	95.9	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.087	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	123.2	172	-56.7	159.4	0	0	0	106.4	F80 G81 M172 L216 F219 L248	F80-I83 HydrophobicContact CE1-CD1 4.08Å; F80-I83 HydrophobicContact CE1-CG1 4.21Å; G81-I83 PolarHBondContact O-N 2.88Å; G81-I83 VanDerWaalsContact O-N 3.08Å; I83-M172 HydrophobicContact CG2-CE 4.32Å; I83-M172 HydrophobicContact CG2-SD 4.41Å; I83-L216 HydrophobicContact CD1-CD1 4.45Å; I83-F219 HydrophobicContact CB-CE2 4.14Å; I83-F219 HydrophobicContact CD1-CB 4.42Å; I83-F219 HydrophobicContact CD1-CD2 3.43Å; I83-F219 VanDerWaalsContact CD1-CD2 3.43Å; I83-F219 HydrophobicContact CD1-CE2 3.79Å; I83-F219 HydrophobicContact CD1-CG 4.01Å; I83-F219 HydrophobicContact CG2-CE2 3.91Å; I83-F219 HydrophobicContact CG2-CZ 4.21Å; I83-L248 HydrophobicContact CD1-CD1 4.01Å
84	A	94.9	Very high	95.9	Very high	26 Å²	26	34.4 Å²	34.4	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	111.4	-177.1	0	0	0	0	0	109.9	S82 T86 T87 M88 D89	S82-A84 PolarHBondContact O-N 2.84Å; A84-T86 VanDerWaalsContact C-N 3.3Å; A84-T86 PolarHBondContact O-N 3.31Å; A84-T87 WeakPolarHBondContact CB-OG1 3.36Å; A84-M88 WeakPolarHBondContact O-CA 3.1Å; A84-M88 PolarHBondContact O-N 2.89Å; A84-D89 PolarHBondContact N-O 3.15Å; A84-D89 PolarHBondContact O-N 2.85Å
85	E	93.8	Very high	96	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.093	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-32.4	-178.6	-59.2	88.8	162.4	0	0	112.1	T87 M88 M172 R250 L306 P307	E85-T87 PolarHBondContact O-N 3.15Å; E85-M88 PolarHBondContact O-N 2.98Å; E85-M172 HydrophobicContact CG-CE 4.43Å; E85-M172 HydrophobicContact CG-SD 4.25Å; E85-R250 IonicContact OE1-CZ 3.22Å; E85-R250 IonicContact OE1-NH1 3.04Å; E85-R250 PolarHBondContact OE1-NH1 3.2Å; E85-R250 IonicContact OE1-NH2 2.64Å; E85-L306 HydrophobicContact CB-CD2 4.41Å; E85-P307 WeakPolarHBondContact O-CB 3.28Å; E85-P307 WeakPolarHBondContact O-CD 3.31Å; E85-P307 WeakPolarHBondContact O-CG 3.42Å
86	T	93.4	Very high	96	Very high	82 Å²	82	37 Å²	37	50%	0.503	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-37.2	-178.7	50.7	0	0	0	0	112.8	A84	A84-T86 VanDerWaalsContact C-N 3.3Å; A84-T86 PolarHBondContact O-N 3.31Å
87	T	95.2	Very high	96	Very high	73 Å²	73	37.9 Å²	37.9	45%	0.448	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-14.4	177.8	42.7	0	0	0	0	113.2	A84 E85 D89 K136	A84-T87 WeakPolarHBondContact CB-OG1 3.36Å; E85-T87 PolarHBondContact O-N 3.15Å; T87-D89 WeakPolarHBondContact CB-OD1 3.36Å; T87-D89 WeakPolarHBondContact CB-OD2 3.39Å; T87-D89 PolarHBondContact OG1-OD1 3.17Å; T87-D89 PolarHBondContact OG1-OD2 3.01Å; T87-K136 PolarHBondContact O-NZ 3.04Å
88	M	95.8	Very high	96	Very high	55 Å²	55	38.1 Å²	38.1	27%	0.271	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	52.7	-174.4	-65.3	-174.3	172	0	0	112.4	A84 E85 C170 P307 V309	A84-M88 WeakPolarHBondContact O-CA 3.1Å; A84-M88 PolarHBondContact O-N 2.89Å; E85-M88 PolarHBondContact O-N 2.98Å; M88-C170 CarbonylContact C-O 3.55Å; M88-C170 WeakPolarHBondContact CB-O 3.28Å; M88-C170 PolarHBondContact O-N 3.38Å; M88-P307 HydrophobicContact CE-CB 4.26Å; M88-P307 HydrophobicContact CE-CG 3.99Å; M88-V309 HydrophobicContact CE-CG1 4.47Å
89	D	97.1	Very high	96.1	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.112	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	166.6	173.9	44.4	40.5	0	0	0	112.9	A84 T87 K136 V167 L168	A84-D89 PolarHBondContact N-O 3.15Å; A84-D89 PolarHBondContact O-N 2.85Å; T87-D89 WeakPolarHBondContact CB-OD1 3.36Å; T87-D89 WeakPolarHBondContact CB-OD2 3.39Å; T87-D89 PolarHBondContact OG1-OD1 3.17Å; T87-D89 PolarHBondContact OG1-OD2 3.01Å; D89-K136 HydrophobicContact CB-CD 4.18Å; D89-K136 VanDerWaalsContact OD2-CD 3.31Å; D89-K136 WeakPolarHBondContact OD2-CD 3.36Å; D89-K136 WeakPolarHBondContact OD2-CE 3.41Å; D89-K136 IonicContact OD2-NZ 2.81Å; D89-K136 PolarHBondContact OD2-NZ 3.02Å; D89-V167 HydrophobicContact CB-CG1 3.99Å; D89-L168 WeakPolarHBondContact CA-O 3.43Å; D89-L168 WeakPolarHBondContact CB-O 3.39Å
90	Y	97.3	Very high	96.2	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.4	173.7	67.3	-75.3	0	0	0	109.9	F80 V92 V167 L168 C170 C184 I185	F80-Y90 AromaticContact CE1-CD2 3.84Å; F80-Y90 HydrophobicContact CE1-CD2 3.84Å; F80-Y90 HydrophobicContact CE1-CE2 4.49Å; F80-Y90 HydrophobicContact CE1-CG 4.47Å; F80-Y90 AromaticContact CE2-CD2 3.81Å; F80-Y90 HydrophobicContact CE2-CD2 3.81Å; F80-Y90 AromaticContact CE2-CE2 3.68Å; F80-Y90 HydrophobicContact CE2-CE2 3.68Å; F80-Y90 AromaticContact CZ-CD2 3.37Å; F80-Y90 HydrophobicContact CZ-CD2 3.37Å; F80-Y90 AromaticContact CZ-CE2 3.59Å; F80-Y90 HydrophobicContact CZ-CE2 3.59Å; F80-Y90 HydrophobicContact CZ-CG 4.22Å; Y90-V92 HydrophobicContact CD2-CB 4.49Å; Y90-V92 HydrophobicContact CE2-CB 4.39Å; Y90-V92 HydrophobicContact CE2-CG1 4.36Å; Y90-V167 WeakPolarHBondContact O-CA 3.24Å; Y90-L168 HydrophobicContact CD1-CB 4.08Å; Y90-L168 VanDerWaalsContact CD1-O 3.29Å; Y90-L168 WeakPolarHBondContact CD1-O 3.27Å; Y90-L168 HydrophobicContact CE1-CB 3.49Å; Y90-L168 VanDerWaalsContact CE1-CB 3.49Å; Y90-L168 HydrophobicContact CE1-CD1 4.44Å; Y90-L168 HydrophobicContact CE2-CB 4.28Å; Y90-L168 HydrophobicContact CE2-CD1 4.07Å; Y90-L168 PolarHBondContact N-O 2.85Å; Y90-L168 PolarHBondContact O-N 2.98Å; Y90-L168 VanDerWaalsContact OH-CD1 3.31Å; Y90-L168 WeakPolarHBondContact OH-CD1 3.3Å; Y90-C170 HydrophobicContact CD1-CB 3.63Å; Y90-C170 HydrophobicContact CE1-CB 3.87Å; Y90-C184 HydrophobicContact CD1-CB 4.07Å; Y90-C184 HydrophobicContact CE1-CB 3.74Å; Y90-I185 PolarHBondContact OH-O 3.09Å
91	R	97.6	Very high	96.3	Very high	131 Å²	131	38.8 Å²	38.8	49%	0.494	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136	176.2	-173.3	173.7	-73.9	178.6	-2.8	110.2	G81 T165 L166 V167	G81-R91 PolarHBondContact N-O 2.88Å; G81-R91 PolarHBondContact O-N 3.48Å; R91-T165 HydrophobicContact CG-CG2 3.79Å; R91-L166 WeakPolarHBondContact CA-O 3.33Å; R91-V167 HydrophobicContact CG-CG2 4.41Å
92	V	97.5	Very high	96.5	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.8	177.2	68.4	0	0	0	0	110.3	I77 S79 F80 Y90 I94 T165 L166 L168 M186	I77-V92 HydrophobicContact CG2-CG2 3.94Å; S79-V92 CarbonylContact O-C 3.54Å; S79-V92 WeakPolarHBondContact O-CA 3.37Å; S79-V92 WeakPolarHBondContact O-CG2 3.44Å; F80-V92 HydrophobicContact CD2-CB 4.38Å; F80-V92 HydrophobicContact CD2-CG2 3.83Å; F80-V92 HydrophobicContact CE2-CG2 4.47Å; F80-V92 HydrophobicContact CG-CG2 4.5Å; Y90-V92 HydrophobicContact CD2-CB 4.49Å; Y90-V92 HydrophobicContact CE2-CB 4.39Å; Y90-V92 HydrophobicContact CE2-CG1 4.36Å; V92-I94 HydrophobicContact CG1-CG2 4.27Å; V92-I94 HydrophobicContact CG2-CG2 3.69Å; V92-T165 CarbonylContact O-C 3.53Å; V92-T165 WeakPolarHBondContact O-CA 3.38Å; V92-L166 HydrophobicContact CG1-CB 3.98Å; V92-L166 HydrophobicContact CG1-CD1 4.33Å; V92-L166 PolarHBondContact N-O 3.11Å; V92-L166 PolarHBondContact O-N 3.04Å; V92-L168 HydrophobicContact CG1-CD1 3.97Å; V92-M186 HydrophobicContact CG1-CE 3.76Å
93	N	97.3	Very high	96.6	Very high	14 Å²	14	36.8 Å²	36.8	8%	0.075	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	114.2	171.7	-169	-93.6	0	0	0	107.2	N78 S79 H141 R163 I164 T165	N78-N93 PolarHBondContact N-O 2.99Å; N78-N93 PolarHBondContact ND2-OD1 2.82Å; S79-N93 PolarHBondContact N-O 2.84Å; S79-N93 PolarHBondContact O-N 2.9Å; N93-H141 PolarHBondContact ND2-CE1 3.19Å; N93-H141 VanDerWaalsContact ND2-CE1 3.26Å; N93-H141 PolarHBondContact ND2-NE2 3.42Å; N93-H141 VanDerWaalsContact ND2-NE2 3.13Å; N93-R163 PolarHBondContact OD1-NE 2.75Å; N93-R163 VanDerWaalsContact OD1-NE 3.12Å; N93-R163 PolarHBondContact OD1-NH2 2.89Å; N93-I164 WeakPolarHBondContact CA-O 3.44Å; N93-T165 PolarHBondContact ND2-OG1 3.18Å
94	I	97.7	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.7	-177	63.7	174.9	0	0	0	111.5	I75 F76 I77 V92 L96 F132 R163 I164 L166 M186	I75-I94 HydrophobicContact CG2-CD1 4.33Å; F76-I94 CarbonylContact O-C 3.6Å; F76-I94 VanDerWaalsContact O-CA 3.23Å; F76-I94 WeakPolarHBondContact O-CA 3.43Å; I77-I94 HydrophobicContact CG1-CG2 4.22Å; V92-I94 HydrophobicContact CG1-CG2 4.27Å; V92-I94 HydrophobicContact CG2-CG2 3.69Å; I94-L96 HydrophobicContact CD1-CB 4.24Å; I94-F132 HydrophobicContact CD1-CE1 4.13Å; I94-F132 HydrophobicContact CD1-CZ 3.81Å; I94-R163 WeakPolarHBondContact O-CA 3.45Å; I94-I164 PolarHBondContact N-O 3.27Å; I94-I164 PolarHBondContact O-N 3.37Å; I94-L166 HydrophobicContact CD1-CD1 3.76Å; I94-L166 HydrophobicContact CG1-CD1 4.34Å; I94-M186 HydrophobicContact CD1-CE 4.34Å; I94-M186 HydrophobicContact CD1-SD 4.36Å; I94-M186 HydrophobicContact CG2-CE 4.17Å
95	F	97.6	Very high	96.5	Very high	60 Å²	60	38.8 Å²	38.8	26%	0.263	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	112.6	150	-48.7	-40.5	0	0	0	107.5	I75 F76 N78 I162 R163	I75-F95 WeakPolarHBondContact CA-O 3.45Å; F76-F95 HydrophobicContact CB-CB 4.21Å; F76-F95 HydrophobicContact CB-CD2 4.1Å; F76-F95 AromaticContact CD1-CD2 3.49Å; F76-F95 HydrophobicContact CD1-CD2 3.49Å; F76-F95 VanDerWaalsContact CD1-CD2 3.49Å; F76-F95 AromaticContact CD1-CE2 3.76Å; F76-F95 HydrophobicContact CD1-CE2 3.76Å; F76-F95 HydrophobicContact CD1-CG 4.38Å; F76-F95 HydrophobicContact CE1-CD2 4.26Å; F76-F95 HydrophobicContact CE1-CE2 4.07Å; F76-F95 HydrophobicContact CG-CD2 4.05Å; F76-F95 PolarHBondContact N-O 2.83Å; F76-F95 PolarHBondContact O-N 2.94Å; N78-F95 HydrophobicContact CB-CZ 4.42Å; F95-I162 CarbonylContact C-O 3.53Å; F95-I162 WeakPolarHBondContact CA-O 3.39Å; F95-R163 HydrophobicContact CD1-CB 3.85Å; F95-R163 HydrophobicContact CD1-CG 3.82Å; F95-R163 HydrophobicContact CE1-CB 4.03Å; F95-R163 HydrophobicContact CE1-CG 3.69Å
96	L	97.9	Very high	96.5	Very high	2 Å²	2	40 Å²	40	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.2	170.5	170.9	64.9	0	0	0	107.8	I75 I94 Q98 L130 F132 S161 I162 I164 L188	I75-L96 HydrophobicContact CG2-CD1 3.84Å; I94-L96 HydrophobicContact CD1-CB 4.24Å; L96-Q98 HydrophobicContact CD1-CG 4.34Å; L96-Q98 HydrophobicContact CG-CG 4.21Å; L96-L130 HydrophobicContact CD1-CD1 4.47Å; L96-L130 HydrophobicContact CD2-CD1 4.22Å; L96-L130 HydrophobicContact CD2-CD2 3.86Å; L96-F132 HydrophobicContact CD2-CE2 4.46Å; L96-F132 HydrophobicContact CD2-CZ 4.12Å; L96-S161 CarbonylContact O-C 3.51Å; L96-S161 WeakPolarHBondContact O-CA 3.45Å; L96-I162 HydrophobicContact CB-CG1 4.16Å; L96-I162 HydrophobicContact CD2-CD1 4.39Å; L96-I162 HydrophobicContact CD2-CG1 4.5Å; L96-I162 PolarHBondContact N-O 3.48Å; L96-I162 PolarHBondContact O-N 2.9Å; L96-I164 HydrophobicContact CD2-CD1 4.35Å; L96-L188 HydrophobicContact CD1-CD2 3.77Å
97	R	97.7	Very high	96.5	Very high	62 Å²	62	37 Å²	37	23%	0.234	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133	173.4	-43.1	-165.9	-172.7	104.8	-9.1	109.6	C73 N74 L159 Y160	C73-R97 WeakPolarHBondContact CA-O 3.43Å; N74-R97 PolarHBondContact N-O 2.97Å; N74-R97 PolarHBondContact O-N 3.43Å; N74-R97 WeakPolarHBondContact OD1-CB 3.36Å; N74-R97 VanDerWaalsContact OD1-CD 3.24Å; N74-R97 WeakPolarHBondContact OD1-CD 3.35Å; N74-R97 VanDerWaalsContact OD1-CG 3.3Å; N74-R97 WeakPolarHBondContact OD1-CG 3.29Å; N74-R97 PolarHBondContact OD1-NH1 3.15Å; R97-L159 HydrophobicContact CB-CD1 4.27Å; R97-Y160 CarbonylContact C-O 3.4Å; R97-Y160 WeakPolarHBondContact CA-O 3.33Å
98	Q	97.9	Very high	96.3	Very high	5 Å²	5	39 Å²	39	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.2	178.7	-64.1	178.8	77.8	0	0	108.1	V71 L96 W100 P128 L130 Y160	V71-Q98 HydrophobicContact CG1-CB 4.1Å; L96-Q98 HydrophobicContact CD1-CG 4.34Å; L96-Q98 HydrophobicContact CG-CG 4.21Å; Q98-W100 HydrophobicContact CB-CE3 4.38Å; Q98-W100 HydrophobicContact CB-CZ3 4.16Å; Q98-P128 VanDerWaalsContact OE1-CG 3.26Å; Q98-L130 HydrophobicContact CG-CD1 4.35Å; Q98-Y160 PolarHBondContact N-O 2.66Å; Q98-Y160 PolarHBondContact O-N 2.93Å
99	Q	97.4	Very high	95.8	Very high	76 Å²	76	42.2 Å²	42.2	36%	0.355	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.3	179.3	-68.5	179	66.9	0	0	109.5	V71 T72 V158 L159	V71-Q99 CarbonylContact C-O 3.56Å; V71-Q99 WeakPolarHBondContact CA-O 3.45Å; T72-Q99 PolarHBondContact N-O 3.4Å; T72-Q99 PolarHBondContact O-N 2.9Å; Q99-V158 WeakPolarHBondContact CA-O 3.49Å; Q99-L159 HydrophobicContact CG-CB 4.45Å; Q99-L159 HydrophobicContact CG-CD1 3.59Å
100	W	97.7	Very high	95.3	Very high	9 Å²	9	42.8 Å²	42.8	3%	0.034	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	168.4	173.7	69	93	0	0	0	110.4	V69 V71 Q98 I125 W126 P128 N157 V158 Y160	V69-W100 HydrophobicContact CG1-CB 4.06Å; V71-W100 HydrophobicContact CG2-CB 4.1Å; Q98-W100 HydrophobicContact CB-CE3 4.38Å; Q98-W100 HydrophobicContact CB-CZ3 4.16Å; W100-I125 HydrophobicContact CZ2-CD1 4.36Å; W100-W126 HydrophobicContact CD2-CZ3 4.46Å; W100-W126 HydrophobicContact CG-CZ3 4.35Å; W100-W126 WeakPolarHBondContact CZ2-O 3.26Å; W100-W126 AromaticContact NE1-CE3 3.87Å; W100-W126 AromaticContact NE1-CZ3 3.96Å; W100-P128 HydrophobicContact CE3-CG 4.04Å; W100-P128 HydrophobicContact CH2-CG 4.48Å; W100-P128 HydrophobicContact CZ3-CG 3.94Å; W100-N157 CarbonylContact O-C 3.28Å; W100-N157 WeakPolarHBondContact O-CA 3.35Å; W100-V158 HydrophobicContact CD2-CB 4.16Å; W100-V158 HydrophobicContact CH2-CB 4.39Å; W100-V158 HydrophobicContact CH2-CG1 3.83Å; W100-V158 HydrophobicContact CZ2-CB 3.88Å; W100-V158 HydrophobicContact CZ2-CG1 3.58Å; W100-V158 HydrophobicContact CZ2-CG2 4.38Å; W100-V158 HydrophobicContact CZ3-CG1 4.45Å; W100-V158 PolarHBondContact N-O 3.2Å; W100-V158 PolarHBondContact O-N 3.12Å; W100-Y160 HydrophobicContact CH2-CD1 4.42Å; W100-Y160 HydrophobicContact CH2-CG 4.31Å; W100-Y160 HydrophobicContact CZ3-CD1 4.35Å; W100-Y160 HydrophobicContact CZ3-CG 4.39Å
101	N	97.7	Very high	94.8	Very high	56 Å²	56	46.9 Å²	46.9	30%	0.299	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.5	172.8	-173.8	-96.9	0	0	0	110.3	P103 N155 N157	N101-P103 WeakPolarHBondContact OD1-CD 3.26Å; N101-P103 WeakPolarHBondContact OD1-CG 3.22Å; N101-N155 PolarHBondContact ND2-O 2.78Å; N101-N157 PolarHBondContact ND2-OD1 3.5Å
102	D	96.9	Very high	94.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.			trans	-117.7	99.7	166.9	-170.5	-12.3	0	0	0	109	Y56 P62 R104 L105 G156 V158	Y56-D102 WeakPolarHBondContact CE2-OD2 3.41Å; Y56-D102 PolarHBondContact OH-OD2 3.09Å; P62-D102 HydrophobicContact CB-CB 4.33Å; P62-D102 HydrophobicContact CG-CB 3.85Å; D102-R104 PolarHBondContact O-N 3.5Å; D102-R104 WeakPolarHBondContact OD1-CB 3.31Å; D102-R104 WeakPolarHBondContact OD1-CG 3.19Å; D102-R104 IonicContact OD1-CZ 2.76Å; D102-R104 PolarHBondContact OD1-N 2.81Å; D102-R104 VanDerWaalsContact OD1-N 3.17Å; D102-R104 IonicContact OD1-NE 2.69Å; D102-R104 PolarHBondContact OD1-NE 3.17Å; D102-R104 IonicContact OD1-NH2 3.75Å; D102-R104 IonicContact OD2-CZ 2.78Å; D102-R104 IonicContact OD2-NE 2.63Å; D102-R104 PolarHBondContact OD2-NE 2.57Å; D102-R104 IonicContact OD2-NH2 3.53Å; D102-R104 PolarHBondContact OD2-NH2 3.04Å; D102-L105 HydrophobicContact CB-CB 4.46Å; D102-L105 HydrophobicContact CB-CD1 3.95Å; D102-L105 HydrophobicContact CB-CG 4.16Å; D102-L105 PolarHBondContact O-N 2.98Å; D102-G156 PolarHBondContact N-O 2.88Å; D102-V158 HydrophobicContact CB-CG2 4.42Å
103	P	95.3	Very high	93.9	Very high	62 Å²	62	50.4 Å²	50.4	40%	0.403	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-57.8	-20.7	-178.7	-26.9	34.9	0	0	0	114.4	N101 L105 A106	N101-P103 WeakPolarHBondContact OD1-CD 3.26Å; N101-P103 WeakPolarHBondContact OD1-CG 3.22Å; P103-L105 VanDerWaalsContact C-N 3.27Å; P103-L105 PolarHBondContact O-N 3.17Å; P103-A106 WeakPolarHBondContact O-CB 3.37Å; P103-A106 PolarHBondContact O-N 2.89Å
104	R	94.6	Very high	93.6	Very high	84 Å²	84	51.9 Å²	51.9	32%	0.317	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-73	-20.6	178.3	-54.7	171	-67.3	179.7	2.5	112.7	Y56 D57 I60 D102	Y56-R104 HydrophobicContact CD2-CB 3.78Å; Y56-R104 HydrophobicContact CE2-CB 3.89Å; Y56-R104 PolarHBondContact OH-NH2 2.73Å; D57-R104 PolarHBondContact O-NH1 3.42Å; I60-R104 PolarHBondContact O-NH1 3.02Å; I60-R104 PolarHBondContact O-NH2 3.1Å; I60-R104 VanDerWaalsContact O-NH2 3.08Å; D102-R104 PolarHBondContact O-N 3.5Å; D102-R104 WeakPolarHBondContact OD1-CB 3.31Å; D102-R104 WeakPolarHBondContact OD1-CG 3.19Å; D102-R104 IonicContact OD1-CZ 2.76Å; D102-R104 PolarHBondContact OD1-N 2.81Å; D102-R104 VanDerWaalsContact OD1-N 3.17Å; D102-R104 IonicContact OD1-NE 2.69Å; D102-R104 PolarHBondContact OD1-NE 3.17Å; D102-R104 IonicContact OD1-NH2 3.75Å; D102-R104 IonicContact OD2-CZ 2.78Å; D102-R104 IonicContact OD2-NE 2.63Å; D102-R104 PolarHBondContact OD2-NE 2.57Å; D102-R104 IonicContact OD2-NH2 3.53Å; D102-R104 PolarHBondContact OD2-NH2 3.04Å
105	L	93.7	Very high	93.3	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-98.2	3.9	179	-59.4	175.5	0	0	0	112.3	L49 M50 Y56 D102 P103 I125 I152 V158	L49-L105 HydrophobicContact CD2-CB 4.25Å; L49-L105 HydrophobicContact CD2-CD2 3.65Å; L49-L105 HydrophobicContact CG-CD2 4.3Å; M50-L105 HydrophobicContact CG-CD2 4Å; Y56-L105 HydrophobicContact CD2-CD2 3.88Å; Y56-L105 HydrophobicContact CD2-CG 4.48Å; Y56-L105 HydrophobicContact CE2-CD1 4.29Å; Y56-L105 HydrophobicContact CE2-CD2 3.51Å; Y56-L105 HydrophobicContact CE2-CG 3.76Å; D102-L105 HydrophobicContact CB-CB 4.46Å; D102-L105 HydrophobicContact CB-CD1 3.95Å; D102-L105 HydrophobicContact CB-CG 4.16Å; D102-L105 PolarHBondContact O-N 2.98Å; P103-L105 VanDerWaalsContact C-N 3.27Å; P103-L105 PolarHBondContact O-N 3.17Å; L105-I125 HydrophobicContact CD1-CG2 4.32Å; L105-I152 HydrophobicContact CB-CD1 4.37Å; L105-I152 HydrophobicContact CB-CG2 4.12Å; L105-I152 HydrophobicContact CD1-CD1 4.03Å; L105-V158 HydrophobicContact CD1-CG2 3.88Å
106	A	94	Very high	92.9	Very high	45 Å²	45	54.5 Å²	54.5	37%	0.372	30%	0.297	S	S	.	.			trans	-71.3	142.8	176.3	0	0	0	0	0	111.3	P103 K154	P103-A106 WeakPolarHBondContact O-CB 3.37Å; P103-A106 PolarHBondContact O-N 2.89Å; A106-K154 CarbonylContact C-O 3.29Å; A106-K154 WeakPolarHBondContact CA-O 3.42Å
107	Y	92.3	Very high	92.4	Very high	19 Å²	19	55.1 Å²	55.1	8%	0.075	30%	0.3	C	S	.	.			trans	-145.4	151.9	-175.2	65.3	-91.1	0	0	0	113.9	F45 D112 D113 S114 L115 I152 K154	F45-Y107 HydrophobicContact CE1-CD2 4.49Å; F45-Y107 HydrophobicContact CE1-CG 4.3Å; F45-Y107 HydrophobicContact CZ-CD1 4.39Å; F45-Y107 HydrophobicContact CZ-CD2 4Å; F45-Y107 AromaticContact CZ-CG 3.75Å; F45-Y107 HydrophobicContact CZ-CG 3.75Å; Y107-D112 WeakPolarHBondContact CE2-O 3.4Å; Y107-D112 PolarHBondContact OH-O 2.85Å; Y107-D113 PolarHBondContact OH-O 2.87Å; Y107-S114 WeakPolarHBondContact OH-CA 3.4Å; Y107-S114 PolarHBondContact OH-N 2.82Å; Y107-L115 HydrophobicContact CD1-CD1 4.46Å; Y107-L115 HydrophobicContact CE1-CD1 3.89Å; Y107-L115 HydrophobicContact CE1-CG 4.39Å; Y107-L115 HydrophobicContact CE2-CD1 4.18Å; Y107-L115 PolarHBondContact OH-N 2.95Å; Y107-I152 HydrophobicContact CE1-CG2 4.17Å; Y107-I152 PolarHBondContact OH-O 2.8Å; Y107-K154 HydrophobicContact CD2-CG 3.86Å; Y107-K154 HydrophobicContact CE1-CG 4.45Å; Y107-K154 HydrophobicContact CE2-CB 4.31Å; Y107-K154 HydrophobicContact CE2-CD 4.47Å; Y107-K154 HydrophobicContact CE2-CG 3.35Å; Y107-K154 PolarHBondContact N-O 3.04Å
108	S	90.5	Very high	91.9	Very high	114 Å²	114	56.9 Å²	56.9	80%	0.797	31%	0.314	S	S	*	.	S	Bend	trans	-132	-14.9	-178.1	55.5	0	0	0	0	114.3
109	E	86.4	Confident	91.4	Very high	124 Å²	124	58.1 Å²	58.1	58%	0.579	32%	0.322	S	S	*	.	S	Bend	trans	-78.7	-29.7	-177	-62.7	-180	179.7	0	0	113.2	F45 K48	F45-E109 HydrophobicContact CE2-CB 4.44Å; K48-E109 IonicContact NZ-OE1 3.92Å; K48-E109 PolarHBondContact NZ-OE1 2.84Å; K48-E109 IonicContact NZ-OE2 3.17Å; K48-E109 PolarHBondContact NZ-OE2 2.83Å
110	Y	85.9	Confident	90.9	Very high	33 Å²	33	59 Å²	59	13%	0.129	34%	0.336	C	S	.	.	S	Bend	trans	-90.3	134.8	-177	-153.3	-94.5	0	0	0	111.1	F45 D112 L115 K154	F45-Y110 HydrophobicContact CD1-CD2 4.39Å; F45-Y110 HydrophobicContact CD2-CD2 4.48Å; F45-Y110 HydrophobicContact CG-CD2 4.17Å; Y110-D112 HydrophobicContact CD1-CB 4.01Å; Y110-D112 HydrophobicContact CE1-CB 4.01Å; Y110-D112 WeakPolarHBondContact CE1-OD2 3.36Å; Y110-D112 PolarHBondContact O-N 3.04Å; Y110-L115 HydrophobicContact CD1-CD2 3.72Å; Y110-L115 HydrophobicContact CD1-CG 4.45Å; Y110-L115 HydrophobicContact CE1-CD2 3.69Å; Y110-L115 HydrophobicContact CG-CD2 4.47Å; Y110-K154 WeakPolarHBondContact O-CE 3.35Å
111	P	86.6	Confident	90.3	Very high	87 Å²	87	60.7 Å²	60.7	57%	0.565	35%	0.346	S	S	*	.	S	Bend	trans	-71.9	-25.9	-170.8	27.9	-36.2	0	0	0	114.2	K154	P111-K154 WeakPolarHBondContact O-CE 2.9Å; P111-K154 PolarHBondContact O-NZ 2.68Å
112	D	88.3	Confident	89.8	Confident	87 Å²	87	58.4 Å²	58.4	47%	0.465	33%	0.333	S	S	.	.	S	Bend	trans	-81.1	134.6	-174.7	-61.5	-20	0	0	0	112.3	Y107 Y110 S114 K154	Y107-D112 WeakPolarHBondContact CE2-O 3.4Å; Y107-D112 PolarHBondContact OH-O 2.85Å; Y110-D112 HydrophobicContact CD1-CB 4.01Å; Y110-D112 HydrophobicContact CE1-CB 4.01Å; Y110-D112 WeakPolarHBondContact CE1-OD2 3.36Å; Y110-D112 PolarHBondContact O-N 3.04Å; D112-S114 PolarHBondContact O-N 3.23Å; D112-K154 VanDerWaalsContact O-CE 3.24Å; D112-K154 WeakPolarHBondContact O-CE 3.49Å
113	D	89.4	Confident	89.4	Confident	119 Å²	119	64.7 Å²	64.7	64%	0.636	37%	0.367	S	S	*	.	S	Bend	trans	-66.5	-21.9	-175.8	-68	-32.3	0	0	0	114.2	Y107 S153 K154	Y107-D113 PolarHBondContact OH-O 2.87Å; D113-S153 WeakPolarHBondContact O-CA 3.29Å; D113-K154 PolarHBondContact O-N 2.96Å; D113-K154 WeakPolarHBondContact OD1-CE 3.43Å; D113-K154 IonicContact OD1-NZ 2.69Å; D113-K154 PolarHBondContact OD1-NZ 3.29Å
114	S	90.8	Very high	89.2	Confident	45 Å²	45	64.3 Å²	64.3	32%	0.315	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	138	174.8	64.7	0	0	0	0	112	Y107 D112 I152	Y107-S114 WeakPolarHBondContact OH-CA 3.4Å; Y107-S114 PolarHBondContact OH-N 2.82Å; D112-S114 PolarHBondContact O-N 3.23Å; S114-I152 CarbonylContact C-O 3.58Å; S114-I152 WeakPolarHBondContact CA-O 3.33Å
115	L	90.3	Very high	89.1	Confident	17 Å²	17	60.5 Å²	60.5	9%	0.089	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.6	173.3	-69.4	167.2	0	0	0	110	F45 L46 Y107 Y110 R151 I152	F45-L115 HydrophobicContact CD1-CD1 3.86Å; F45-L115 HydrophobicContact CE1-CD1 3.44Å; F45-L115 VanDerWaalsContact CE1-CD1 3.44Å; L46-L115 HydrophobicContact CD2-CD1 4.35Å; Y107-L115 HydrophobicContact CD1-CD1 4.46Å; Y107-L115 HydrophobicContact CE1-CD1 3.89Å; Y107-L115 HydrophobicContact CE1-CG 4.39Å; Y107-L115 HydrophobicContact CE2-CD1 4.18Å; Y107-L115 PolarHBondContact OH-N 2.95Å; Y110-L115 HydrophobicContact CD1-CD2 3.72Å; Y110-L115 HydrophobicContact CD1-CG 4.45Å; Y110-L115 HydrophobicContact CE1-CD2 3.69Å; Y110-L115 HydrophobicContact CG-CD2 4.47Å; L115-R151 CarbonylContact O-C 3.3Å; L115-R151 VanDerWaalsContact O-CA 3.29Å; L115-R151 WeakPolarHBondContact O-CA 3.49Å; L115-I152 PolarHBondContact N-O 2.83Å; L115-I152 PolarHBondContact O-N 2.75Å
116	D	89.6	Confident	89.2	Confident	98 Å²	98	60.8 Å²	60.8	52%	0.524	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.1	167.2	-78.9	-39.2	0	0	0	109.8	R151	D116-R151 VanDerWaalsContact CG-NH2 3.28Å; D116-R151 IonicContact OD1-CZ 2.64Å; D116-R151 VanDerWaalsContact OD1-CZ 3.26Å; D116-R151 IonicContact OD1-NE 2.75Å; D116-R151 PolarHBondContact OD1-NE 2.88Å; D116-R151 IonicContact OD1-NH2 3.62Å; D116-R151 PolarHBondContact OD1-NH2 3.25Å; D116-R151 IonicContact OD2-CZ 2.7Å; D116-R151 IonicContact OD2-NE 3.26Å; D116-R151 IonicContact OD2-NH2 2.7Å; D116-R151 PolarHBondContact OD2-NH2 2.91Å
117	L	88	Confident	89.3	Confident	15 Å²	15	62.1 Å²	62.1	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.3	-172.6	-79.6	164.8	0	0	0	112.4	L46 M50 M121 L150 I152	L46-L117 HydrophobicContact CD1-CD2 3.4Å; L46-L117 HydrophobicContact CD2-CD2 3.66Å; L46-L117 HydrophobicContact CG-CD2 4.11Å; M50-L117 HydrophobicContact CE-CD2 4.5Å; L117-M121 HydrophobicContact CD2-CE 4.13Å; L117-L150 HydrophobicContact CB-CB 4.03Å; L117-L150 HydrophobicContact CB-CD2 3.9Å; L117-L150 HydrophobicContact CB-CG 4.02Å; L117-L150 HydrophobicContact CD1-CD2 3.57Å; L117-L150 HydrophobicContact CD1-CG 3.89Å; L117-L150 HydrophobicContact CG-CD2 4.37Å; L117-L150 PolarHBondContact N-O 3.06Å; L117-I152 HydrophobicContact CD1-CD1 3.47Å; L117-I152 VanDerWaalsContact CD1-CD1 3.47Å; L117-I152 HydrophobicContact CD1-CG1 3.79Å
118	D	87.3	Confident	89.5	Confident	98 Å²	98	61.7 Å²	61.7	52%	0.524	35%	0.35	S	S	.	.			trans	-65.6	138.1	172.2	-173.1	-88.6	0	0	0	110.9	S120 M121	D118-S120 PolarHBondContact O-N 3.41Å; D118-S120 VanDerWaalsContact O-N 3.09Å; D118-S120 WeakPolarHBondContact OD1-CB 3.39Å; D118-S120 PolarHBondContact OD1-N 2.9Å; D118-S120 PolarHBondContact OD1-OG 3.08Å; D118-M121 WeakPolarHBondContact O-CB 3.39Å; D118-M121 PolarHBondContact O-N 2.8Å
119	P	87.3	Confident	89.7	Confident	32 Å²	32	58.4 Å²	58.4	21%	0.208	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-53.7	-28.2	179.1	-30.4	37.9	0	0	0	115.3	M121 L122 D146 K148	P119-M121 PolarHBondContact O-N 3.28Å; P119-L122 HydrophobicContact CB-CD1 4.38Å; P119-L122 VanDerWaalsContact O-CB 3.29Å; P119-L122 WeakPolarHBondContact O-CB 3.38Å; P119-L122 WeakPolarHBondContact O-CD1 3.47Å; P119-L122 WeakPolarHBondContact O-CG 3.27Å; P119-L122 PolarHBondContact O-N 3.1Å; P119-L122 VanDerWaalsContact O-N 3.15Å; P119-D146 HydrophobicContact CB-CB 4.11Å; P119-K148 HydrophobicContact CB-CB 4.29Å
120	S	85.9	Confident	90.2	Very high	93 Å²	93	53.9 Å²	53.9	65%	0.65	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.3	-22.3	177.5	60.3	0	0	0	0	113.8	D118 L122	D118-S120 PolarHBondContact O-N 3.41Å; D118-S120 VanDerWaalsContact O-N 3.09Å; D118-S120 WeakPolarHBondContact OD1-CB 3.39Å; D118-S120 PolarHBondContact OD1-N 2.9Å; D118-S120 PolarHBondContact OD1-OG 3.08Å; S120-L122 VanDerWaalsContact C-N 3.28Å; S120-L122 PolarHBondContact O-N 3.13Å
121	M	85.6	Confident	90.8	Very high	46 Å²	46	55 Å²	55	23%	0.227	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-79.8	-6.1	179.7	-62.6	-85.1	-102.9	0	0	113.3	L46 M50 L117 D118 P119 D123 S124	L46-M121 HydrophobicContact CB-CE 3.76Å; L46-M121 HydrophobicContact CD1-CE 3.89Å; L46-M121 HydrophobicContact CG-CE 4.37Å; M50-M121 HydrophobicContact CE-CE 3.56Å; M50-M121 HydrophobicContact CE-SD 4.46Å; L117-M121 HydrophobicContact CD2-CE 4.13Å; D118-M121 WeakPolarHBondContact O-CB 3.39Å; D118-M121 PolarHBondContact O-N 2.8Å; P119-M121 PolarHBondContact O-N 3.28Å; M121-D123 PolarHBondContact O-N 3.47Å; M121-S124 WeakPolarHBondContact O-CB 3.37Å; M121-S124 PolarHBondContact O-N 2.93Å
122	L	87.6	Confident	91.3	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.042	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.8	-15.8	-175.2	-83.5	163.8	0	0	0	115.3	P119 S120 I125 K127 K148 L150 Y160	P119-L122 HydrophobicContact CB-CD1 4.38Å; P119-L122 VanDerWaalsContact O-CB 3.29Å; P119-L122 WeakPolarHBondContact O-CB 3.38Å; P119-L122 WeakPolarHBondContact O-CD1 3.47Å; P119-L122 WeakPolarHBondContact O-CG 3.27Å; P119-L122 PolarHBondContact O-N 3.1Å; P119-L122 VanDerWaalsContact O-N 3.15Å; S120-L122 VanDerWaalsContact C-N 3.28Å; S120-L122 PolarHBondContact O-N 3.13Å; L122-I125 HydrophobicContact CD2-CD1 4.15Å; L122-I125 HydrophobicContact CD2-CG1 4.47Å; L122-K127 PolarHBondContact O-NZ 3.16Å; L122-K148 HydrophobicContact CD1-CB 3.63Å; L122-K148 HydrophobicContact CD1-CD 3.44Å; L122-K148 VanDerWaalsContact CD1-CD 3.44Å; L122-K148 HydrophobicContact CD1-CG 4.16Å; L122-L150 HydrophobicContact CD2-CB 4.11Å; L122-L150 HydrophobicContact CD2-CD1 4.18Å; L122-L150 HydrophobicContact CD2-CD2 3.9Å; L122-L150 HydrophobicContact CD2-CG 4.29Å; L122-L150 HydrophobicContact CG-CB 4.47Å; L122-L150 HydrophobicContact CG-CD2 4.28Å; L122-Y160 HydrophobicContact CD1-CE2 3.79Å; L122-Y160 HydrophobicContact CD2-CD2 3.65Å; L122-Y160 HydrophobicContact CD2-CE2 3.41Å; L122-Y160 VanDerWaalsContact CD2-CE2 3.41Å; L122-Y160 HydrophobicContact CG-CE2 4.28Å
123	D	87.8	Confident	91.7	Very high	131 Å²	131	48.8 Å²	48.8	70%	0.701	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-90.3	-9.6	173.4	-70.5	-30.4	0	0	0	113.5	M121 K127	M121-D123 PolarHBondContact O-N 3.47Å; D123-K127 IonicContact OD1-NZ 3.94Å; D123-K127 PolarHBondContact OD1-NZ 2.92Å
124	S	90.4	Very high	92	Very high	55 Å²	55	44.1 Å²	44.1	39%	0.385	25%	0.25	S	C	.	.	S	Bend	trans	-87.3	-7.6	172.8	-58.1	0	0	0	0	113.5	Y56 M121	Y56-S124 VanDerWaalsContact CE1-O 3.31Å; Y56-S124 WeakPolarHBondContact CE1-O 3.44Å; M121-S124 WeakPolarHBondContact O-CB 3.37Å; M121-S124 PolarHBondContact O-N 2.93Å
125	I	93.1	Very high	92.3	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	25%	0.254	C	S	.	.	S	Bend	trans	-113.5	151.4	177.1	63.6	155.1	0	0	0	112.9	M50 W100 L105 L122 L150	M50-I125 HydrophobicContact SD-CG2 3.45Å; M50-I125 WeakPolarHBondContact SD-CG2 3.34Å; W100-I125 HydrophobicContact CZ2-CD1 4.36Å; L105-I125 HydrophobicContact CD1-CG2 4.32Å; L122-I125 HydrophobicContact CD2-CD1 4.15Å; L122-I125 HydrophobicContact CD2-CG1 4.47Å; I125-L150 HydrophobicContact CD1-CD1 3.53Å; I125-L150 HydrophobicContact CD1-CD2 3.65Å; I125-L150 HydrophobicContact CD1-CG 4.25Å; I125-L150 HydrophobicContact CG1-CD2 4.25Å
126	W	95.9	Very high	92.5	Very high	7 Å²	7	50.6 Å²	50.6	3%	0.027	27%	0.273	C	S	.	.			trans	-66.8	134.9	165	-179.4	86.2	0	0	0	109.7	Y56 A58 R61 P62 V69 W100 P128 Y193 L198	Y56-W126 PolarHBondContact OH-N 2.82Å; A58-W126 WeakPolarHBondContact O-CA 3.23Å; A58-W126 WeakPolarHBondContact O-CB 3.34Å; R61-W126 HydrophobicContact CB-CD2 4.48Å; R61-W126 HydrophobicContact CB-CZ2 3.88Å; P62-W126 VanDerWaalsContact CD-CD2 3.45Å; P62-W126 HydrophobicContact CG-CD2 4.37Å; P62-W126 HydrophobicContact CG-CE3 3.83Å; P62-W126 HydrophobicContact CG-CZ3 4.11Å; V69-W126 HydrophobicContact CB-CH2 4.42Å; V69-W126 HydrophobicContact CG1-CH2 4.19Å; V69-W126 HydrophobicContact CG1-CZ3 4.19Å; V69-W126 HydrophobicContact CG2-CH2 4.5Å; W100-W126 HydrophobicContact CD2-CZ3 4.46Å; W100-W126 HydrophobicContact CG-CZ3 4.35Å; W100-W126 WeakPolarHBondContact CZ2-O 3.26Å; W100-W126 AromaticContact NE1-CE3 3.87Å; W100-W126 AromaticContact NE1-CZ3 3.96Å; W126-P128 HydrophobicContact CH2-CB 3.97Å; W126-P128 HydrophobicContact CZ3-CB 4.32Å; W126-Y193 HydrophobicContact CZ2-CD2 4.34Å; W126-Y193 AromaticContact CZ2-CE2 3.75Å; W126-Y193 HydrophobicContact CZ2-CE2 3.75Å; W126-Y193 AromaticContact NE1-CE2 3.85Å; W126-Y193 AromaticContact NE1-CZ 3.74Å; W126-Y193 PolarHBondContact NE1-OH 2.92Å; W126-L198 HydrophobicContact CH2-CD1 3.99Å; W126-L198 HydrophobicContact CZ2-CD1 4.13Å
127	K	95.4	Very high	92.8	Very high	73 Å²	73	47.5 Å²	47.5	32%	0.317	26%	0.264	S	S	.	.			trans	-130.5	137.7	176.9	47.2	-179.7	171.4	-77.1	0	109.9	L122 D123	L122-K127 PolarHBondContact O-NZ 3.16Å; D123-K127 IonicContact OD1-NZ 3.94Å; D123-K127 PolarHBondContact OD1-NZ 2.92Å
128	P	96.9	Very high	93.2	Very high	10 Å²	10	49.1 Å²	49.1	7%	0.065	28%	0.28	C	S	.	.			trans	-62.4	143.8	176.3	26.6	-35.3	0	0	0	111.5	V71 Q98 W100 W126 L130 L198 F200	V71-P128 HydrophobicContact CG1-CG 4.16Å; V71-P128 HydrophobicContact CG2-CB 4.17Å; V71-P128 HydrophobicContact CG2-CG 4.46Å; Q98-P128 VanDerWaalsContact OE1-CG 3.26Å; W100-P128 HydrophobicContact CE3-CG 4.04Å; W100-P128 HydrophobicContact CH2-CG 4.48Å; W100-P128 HydrophobicContact CZ3-CG 3.94Å; W126-P128 HydrophobicContact CH2-CB 3.97Å; W126-P128 HydrophobicContact CZ3-CB 4.32Å; P128-L130 VanDerWaalsContact C-N 3.26Å; P128-L130 PolarHBondContact O-N 2.9Å; P128-L130 VanDerWaalsContact O-N 3.12Å; P128-L198 HydrophobicContact CB-CD1 4Å; P128-F200 HydrophobicContact CB-CE1 4.41Å
129	D	95.4	Very high	93.5	Very high	44 Å²	44	49.9 Å²	49.9	24%	0.235	28%	0.284	C	S	.	.			trans	-89.7	49.7	-172	64.8	-18.3	0	0	0	112.7	F131 S190 F191 G192 Y193	D129-F131 PolarHBondContact O-N 2.89Å; D129-S190 WeakPolarHBondContact OD1-CB 3.46Å; D129-S190 PolarHBondContact OD1-OG 3.35Å; D129-S190 PolarHBondContact OD2-OG 2.65Å; D129-F191 PolarHBondContact O-N 2.88Å; D129-F191 PolarHBondContact OD2-N 3.32Å; D129-G192 VanDerWaalsContact OD2-CA 3.31Å; D129-G192 WeakPolarHBondContact OD2-CA 3.37Å; D129-G192 PolarHBondContact OD2-N 2.91Å; D129-Y193 WeakPolarHBondContact OD1-CD2 3.34Å; D129-Y193 PolarHBondContact OD2-N 2.88Å
130	L	97.4	Very high	93.8	Very high	29 Å²	29	53.6 Å²	53.6	15%	0.152	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.4	179.9	-166.8	155.4	0	0	0	110.9	L96 Q98 P128 F132 L188 E189 F200	L96-L130 HydrophobicContact CD1-CD1 4.47Å; L96-L130 HydrophobicContact CD2-CD1 4.22Å; L96-L130 HydrophobicContact CD2-CD2 3.86Å; Q98-L130 HydrophobicContact CG-CD1 4.35Å; P128-L130 VanDerWaalsContact C-N 3.26Å; P128-L130 PolarHBondContact O-N 2.9Å; P128-L130 VanDerWaalsContact O-N 3.12Å; L130-F132 HydrophobicContact CD2-CD2 4.47Å; L130-F132 HydrophobicContact CD2-CE2 4.1Å; L130-F132 HydrophobicContact CD2-CZ 4.22Å; L130-L188 HydrophobicContact CD1-CB 4.22Å; L130-L188 HydrophobicContact CD1-CD2 3.94Å; L130-L188 HydrophobicContact CD2-CB 4.12Å; L130-L188 HydrophobicContact CD2-CD2 4.1Å; L130-L188 HydrophobicContact CD2-CG 4.28Å; L130-L188 HydrophobicContact CG-CB 4.27Å; L130-E189 WeakPolarHBondContact CA-O 3.4Å; L130-F200 HydrophobicContact CB-CE1 4.38Å; L130-F200 HydrophobicContact CB-CE2 4.3Å; L130-F200 HydrophobicContact CB-CZ 3.69Å; L130-F200 HydrophobicContact CD1-CD1 4.44Å; L130-F200 HydrophobicContact CD1-CE1 3.89Å; L130-F200 HydrophobicContact CD1-CE2 4.2Å; L130-F200 HydrophobicContact CD1-CZ 3.78Å; L130-F200 HydrophobicContact CG-CE1 4.44Å; L130-F200 HydrophobicContact CG-CE2 4.08Å; L130-F200 HydrophobicContact CG-CZ 3.83Å
131	F	97	Very high	94.2	Very high	57 Å²	57	51.4 Å²	51.4	25%	0.25	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	163.5	164.3	79.6	-71	0	0	0	110.2	D129 A133 E189 F191	D129-F131 PolarHBondContact O-N 2.89Å; F131-A133 HydrophobicContact CE2-CB 4.32Å; F131-E189 HydrophobicContact CD1-CB 4.24Å; F131-E189 WeakPolarHBondContact CD1-O 3.5Å; F131-E189 HydrophobicContact CE1-CB 3.65Å; F131-E189 HydrophobicContact CE1-CG 3.67Å; F131-E189 HydrophobicContact CZ-CB 3.91Å; F131-E189 HydrophobicContact CZ-CG 3.94Å; F131-E189 PolarHBondContact N-O 3.38Å; F131-E189 PolarHBondContact O-N 2.59Å; F131-F191 HydrophobicContact CD1-CB 3.7Å; F131-F191 HydrophobicContact CD1-CD2 4.03Å; F131-F191 HydrophobicContact CD1-CG 4.39Å; F131-F191 HydrophobicContact CE1-CB 3.91Å; F131-F191 AromaticContact CE1-CD2 3.91Å; F131-F191 HydrophobicContact CE1-CD2 3.91Å; F131-F191 HydrophobicContact CE1-CG 4.41Å; F131-F191 HydrophobicContact CE2-CD2 4.43Å; F131-F191 HydrophobicContact CG-CD2 4.36Å; F131-F191 HydrophobicContact CZ-CD2 4.14Å
132	F	97.8	Very high	94.5	Very high	11 Å²	11	55.5 Å²	55.5	5%	0.048	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.7	171.4	-64.3	-93.4	0	0	0	107.5	I94 L96 L130 E135 I164 L166 L168 M186 Q187 L188	I94-F132 HydrophobicContact CD1-CE1 4.13Å; I94-F132 HydrophobicContact CD1-CZ 3.81Å; L96-F132 HydrophobicContact CD2-CE2 4.46Å; L96-F132 HydrophobicContact CD2-CZ 4.12Å; L130-F132 HydrophobicContact CD2-CD2 4.47Å; L130-F132 HydrophobicContact CD2-CE2 4.1Å; L130-F132 HydrophobicContact CD2-CZ 4.22Å; F132-E135 HydrophobicContact CB-CB 4.45Å; F132-E135 HydrophobicContact CB-CG 3.72Å; F132-E135 WeakPolarHBondContact O-CG 3.31Å; F132-I164 HydrophobicContact CE2-CD1 4.14Å; F132-L166 HydrophobicContact CD1-CD1 3.79Å; F132-L166 HydrophobicContact CD2-CD1 4.01Å; F132-L166 HydrophobicContact CD2-CD2 3.75Å; F132-L166 HydrophobicContact CE1-CD1 3.53Å; F132-L166 HydrophobicContact CE2-CD1 3.8Å; F132-L166 HydrophobicContact CE2-CD2 3.88Å; F132-L166 HydrophobicContact CE2-CG 4.45Å; F132-L166 HydrophobicContact CG-CD1 4.03Å; F132-L166 HydrophobicContact CG-CD2 4.3Å; F132-L166 HydrophobicContact CZ-CD1 3.56Å; F132-L166 HydrophobicContact CZ-CD2 4.49Å; F132-L168 HydrophobicContact CB-CD2 4.27Å; F132-M186 HydrophobicContact CD1-CG 3.9Å; F132-M186 HydrophobicContact CD1-SD 4.4Å; F132-M186 HydrophobicContact CE1-CG 3.98Å; F132-M186 HydrophobicContact CE1-SD 3.88Å; F132-Q187 CarbonylContact C-O 3.54Å; F132-Q187 VanDerWaalsContact CA-O 3.22Å; F132-Q187 WeakPolarHBondContact CA-O 3.43Å; F132-L188 HydrophobicContact CD1-CD1 4.39Å; F132-L188 HydrophobicContact CD1-CG 3.9Å; F132-L188 HydrophobicContact CE1-CD1 4.14Å; F132-L188 HydrophobicContact CE1-CD2 3.93Å; F132-L188 HydrophobicContact CE1-CG 3.61Å; F132-L188 HydrophobicContact CZ-CD2 4.32Å; F132-L188 HydrophobicContact CZ-CG 4.38Å
133	A	96.2	Very high	94.5	Very high	33 Å²	33	61 Å²	61	27%	0.273	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.1	-173.6	0	0	0	0	0	114.2	F131 Q187 E189	F131-A133 HydrophobicContact CE2-CB 4.32Å; A133-Q187 HydrophobicContact CB-CB 4.05Å; A133-Q187 PolarHBondContact N-O 3.41Å; A133-E189 HydrophobicContact CB-CB 4.34Å; A133-E189 WeakPolarHBondContact CB-OE2 3.4Å
134	N	96.1	Very high	94.6	Very high	21 Å²	21	61.2 Å²	61.2	11%	0.112	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	31.3	-178.6	69.8	-52.8	0	0	0	112.9	L168 A169 I185 Q187	N134-L168 CarbonylContact O-C 3.48Å; N134-L168 WeakPolarHBondContact O-CA 3.46Å; N134-A169 PolarHBondContact ND2-O 3.08Å; N134-A169 PolarHBondContact O-N 3.06Å; N134-I185 PolarHBondContact ND2-O 3.29Å; N134-Q187 PolarHBondContact OD1-N 3.24Å; N134-Q187 VanDerWaalsContact OD1-N 3.15Å
135	E	96.7	Very high	94.5	Very high	87 Å²	87	63.3 Å²	63.3	41%	0.407	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	147.1	171.9	21.3	62.2	98.3	0	0	112.5	F132 L168	F132-E135 HydrophobicContact CB-CB 4.45Å; F132-E135 HydrophobicContact CB-CG 3.72Å; F132-E135 WeakPolarHBondContact O-CG 3.31Å; E135-L168 HydrophobicContact CB-CD2 4.33Å
136	K	95.8	Very high	94.4	Very high	111 Å²	111	66.1 Å²	66.1	48%	0.483	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-14.6	160.2	-59.1	-175	-173.9	179	0	112.1	T87 D89 V167 A169	T87-K136 PolarHBondContact O-NZ 3.04Å; D89-K136 HydrophobicContact CB-CD 4.18Å; D89-K136 VanDerWaalsContact OD2-CD 3.31Å; D89-K136 WeakPolarHBondContact OD2-CD 3.36Å; D89-K136 WeakPolarHBondContact OD2-CE 3.41Å; D89-K136 IonicContact OD2-NZ 2.81Å; D89-K136 PolarHBondContact OD2-NZ 3.02Å; K136-V167 HydrophobicContact CB-CG1 4.39Å; K136-V167 PolarHBondContact N-O 2.93Å; K136-A169 HydrophobicContact CG-CB 4.4Å
137	G	95.1	Very high	94.2	Very high	33 Å²	33	68.4 Å²	68.4	34%	0.34	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	177.9	144.4	178.9	0	0	0	0	0	110.9	V167	G137-V167 PolarHBondContact O-N 2.83Å
138	A	95.8	Very high	94.1	Very high	49 Å²	49	67.3 Å²	67.3	41%	0.405	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.4	-178.5	0	0	0	0	0	109.4	I164 T165 L166	A138-I164 HydrophobicContact CB-CG2 4.42Å; A138-T165 WeakPolarHBondContact CA-O 3.36Å; A138-L166 HydrophobicContact CB-CD2 3.57Å
139	N	94.5	Very high	94	Very high	114 Å²	114	70.1 Å²	70.1	61%	0.61	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.3	179.2	-65.4	-8.5	0	0	0	110.3	I164 T165	N139-I164 WeakPolarHBondContact O-CG2 3.43Å; N139-T165 PolarHBondContact N-O 2.64Å; N139-T165 PolarHBondContact O-N 2.89Å
140	F	94.4	Very high	93.9	Very high	110 Å²	110	68 Å²	68	48%	0.482	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	165.3	167.3	-61.6	-70.4	0	0	0	111.2	I162 I164	F140-I162 HydrophobicContact CE1-CD1 4.29Å; F140-I164 HydrophobicContact CD1-CG1 4.14Å; F140-I164 HydrophobicContact CE1-CD1 4.09Å; F140-I164 HydrophobicContact CE1-CG1 4.07Å
141	H	93.3	Very high	93.8	Very high	47 Å²	47	70.8 Å²	70.8	22%	0.218	38%	0.379	C	S	.	.			trans	-115.6	112.8	178.9	-66.8	-107.4	0	0	0	109.8	N93 N147 R163 T165	N93-H141 PolarHBondContact ND2-CE1 3.19Å; N93-H141 VanDerWaalsContact ND2-CE1 3.26Å; N93-H141 PolarHBondContact ND2-NE2 3.42Å; N93-H141 VanDerWaalsContact ND2-NE2 3.13Å; H141-N147 HydrophobicContact CB-CB 4.06Å; H141-N147 WeakPolarHBondContact O-CB 3.47Å; H141-N147 PolarHBondContact O-N 3.14Å; H141-N147 PolarHBondContact O-ND2 2.82Å; H141-R163 HydrophobicContact CB-CG 4.42Å; H141-T165 PolarHBondContact CE1-OG1 2.79Å; H141-T165 VanDerWaalsContact CE1-OG1 3.27Å; H141-T165 PolarHBondContact NE2-N 3.22Å; H141-T165 PolarHBondContact NE2-OG1 3.15Å
142	E	91.6	Very high	93.7	Very high	131 Å²	131	68.1 Å²	68.1	61%	0.612	37%	0.368	S	S	*	.			trans	-109.4	1	-171.9	-58.6	172.1	-176.6	0	0	112.4	T144 T145	E142-T144 CarbonylContact O-C 3.6Å; E142-T145 CarbonylContact C-O 3.6Å; E142-T145 VanDerWaalsContact C-O 3.28Å; E142-T145 CarbonylContact O-C 3.59Å; E142-T145 VanDerWaalsContact O-C 3.3Å; E142-T145 WeakPolarHBondContact O-CA 3.39Å; E142-T145 PolarHBondContact O-N 2.87Å
143	V	88.6	Confident	93.6	Very high	125 Å²	125	69.3 Å²	69.3	76%	0.758	38%	0.378	S	S	*	.	S	Bend	trans	-103.9	132.5	-176.2	-178	0	0	0	0	110.7	T145 N147	V143-T145 VanDerWaalsContact C-N 3.29Å; V143-N147 PolarHBondContact O-ND2 3.14Å; V143-N147 VanDerWaalsContact O-ND2 3.14Å
144	T	88.9	Confident	93.5	Very high	135 Å²	135	70.9 Å²	70.9	83%	0.828	38%	0.378	S	S	*	.	S	Bend	cis	-78.3	-12	-12.5	47.3	0	0	0	0	113.4	E142	E142-T144 CarbonylContact O-C 3.6Å
145	T	88.9	Confident	93.5	Very high	98 Å²	98	74.2 Å²	74.2	60%	0.601	40%	0.396	S	S	*	.	S	Bend	trans	-138.2	167.3	172.4	50.7	0	0	0	0	108.1	E142 V143 N147	E142-T145 CarbonylContact C-O 3.6Å; E142-T145 VanDerWaalsContact C-O 3.28Å; E142-T145 CarbonylContact O-C 3.59Å; E142-T145 VanDerWaalsContact O-C 3.3Å; E142-T145 WeakPolarHBondContact O-CA 3.39Å; E142-T145 PolarHBondContact O-N 2.87Å; V143-T145 VanDerWaalsContact C-N 3.29Å; T145-N147 PolarHBondContact O-N 3.12Å; T145-N147 VanDerWaalsContact O-N 3.14Å; T145-N147 PolarHBondContact O-ND2 2.94Å; T145-N147 VanDerWaalsContact O-ND2 3.12Å
146	D	89.9	Confident	93.4	Very high	63 Å²	63	70.1 Å²	70.1	34%	0.337	38%	0.377	S	S	.	.			trans	-54	117.7	173.6	-88.9	16.2	0	0	0	111.7	P119 K148	P119-D146 HydrophobicContact CB-CB 4.11Å; D146-K148 HydrophobicContact CB-CD 4.24Å; D146-K148 HydrophobicContact CB-CG 4.2Å; D146-K148 PolarHBondContact O-N 3.33Å; D146-K148 WeakPolarHBondContact OD2-CE 3.41Å; D146-K148 IonicContact OD2-NZ 3.88Å
147	N	92.1	Very high	93.4	Very high	56 Å²	56	67.9 Å²	67.9	30%	0.299	37%	0.37	S	S	.	.			trans	-79.7	65.2	-179.8	-71.3	-98.6	0	0	0	110.4	H141 V143 T145 R163	H141-N147 HydrophobicContact CB-CB 4.06Å; H141-N147 WeakPolarHBondContact O-CB 3.47Å; H141-N147 PolarHBondContact O-N 3.14Å; H141-N147 PolarHBondContact O-ND2 2.82Å; V143-N147 PolarHBondContact O-ND2 3.14Å; V143-N147 VanDerWaalsContact O-ND2 3.14Å; T145-N147 PolarHBondContact O-N 3.12Å; T145-N147 VanDerWaalsContact O-N 3.14Å; T145-N147 PolarHBondContact O-ND2 2.94Å; T145-N147 VanDerWaalsContact O-ND2 3.12Å; N147-R163 HydrophobicContact CB-CB 3.77Å; N147-R163 PolarHBondContact O-N 3.26Å
148	K	94.2	Very high	93.5	Very high	50 Å²	50	66.4 Å²	66.4	22%	0.217	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	144.4	178.1	-46.7	176.6	-159.7	-81.7	0	108.1	P119 L122 D146 S161 I162	P119-K148 HydrophobicContact CB-CB 4.29Å; L122-K148 HydrophobicContact CD1-CB 3.63Å; L122-K148 HydrophobicContact CD1-CD 3.44Å; L122-K148 VanDerWaalsContact CD1-CD 3.44Å; L122-K148 HydrophobicContact CD1-CG 4.16Å; D146-K148 HydrophobicContact CB-CD 4.24Å; D146-K148 HydrophobicContact CB-CG 4.2Å; D146-K148 PolarHBondContact O-N 3.33Å; D146-K148 WeakPolarHBondContact OD2-CE 3.41Å; D146-K148 IonicContact OD2-NZ 3.88Å; K148-S161 CarbonylContact C-O 3.46Å; K148-S161 WeakPolarHBondContact CA-O 3.46Å; K148-I162 HydrophobicContact CB-CG2 3.95Å; K148-I162 HydrophobicContact CG-CG2 3.87Å
149	L	94	Very high	93.5	Very high	68 Å²	68	66.1 Å²	66.1	36%	0.356	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.8	174.2	175.7	157	0	0	0	107.5	R151 L159 Y160 S161	L149-R151 HydrophobicContact CD2-CB 4.23Å; L149-L159 HydrophobicContact CD2-CD2 4.33Å; L149-L159 HydrophobicContact CD2-CG 4.41Å; L149-Y160 WeakPolarHBondContact O-CA 3.41Å; L149-S161 PolarHBondContact N-O 2.99Å; L149-S161 PolarHBondContact O-N 2.85Å
150	L	94.6	Very high	93.6	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.8	174	178.8	64.3	0	0	0	108.6	L117 L122 I125 V158 L159	L117-L150 HydrophobicContact CB-CB 4.03Å; L117-L150 HydrophobicContact CB-CD2 3.9Å; L117-L150 HydrophobicContact CB-CG 4.02Å; L117-L150 HydrophobicContact CD1-CD2 3.57Å; L117-L150 HydrophobicContact CD1-CG 3.89Å; L117-L150 HydrophobicContact CG-CD2 4.37Å; L117-L150 PolarHBondContact N-O 3.06Å; L122-L150 HydrophobicContact CD2-CB 4.11Å; L122-L150 HydrophobicContact CD2-CD1 4.18Å; L122-L150 HydrophobicContact CD2-CD2 3.9Å; L122-L150 HydrophobicContact CD2-CG 4.29Å; L122-L150 HydrophobicContact CG-CB 4.47Å; L122-L150 HydrophobicContact CG-CD2 4.28Å; I125-L150 HydrophobicContact CD1-CD1 3.53Å; I125-L150 HydrophobicContact CD1-CD2 3.65Å; I125-L150 HydrophobicContact CD1-CG 4.25Å; I125-L150 HydrophobicContact CG1-CD2 4.25Å; L150-V158 HydrophobicContact CD1-CG1 3.46Å; L150-V158 VanDerWaalsContact CD1-CG1 3.46Å; L150-L159 WeakPolarHBondContact CA-O 3.28Å
151	R	95.1	Very high	93.7	Very high	86 Å²	86	57.3 Å²	57.3	33%	0.325	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129.4	176.6	177.7	177.1	-67.3	-179.3	-5.9	110.1	L115 D116 L149 V158 L159	L115-R151 CarbonylContact O-C 3.3Å; L115-R151 VanDerWaalsContact O-CA 3.29Å; L115-R151 WeakPolarHBondContact O-CA 3.49Å; D116-R151 VanDerWaalsContact CG-NH2 3.28Å; D116-R151 IonicContact OD1-CZ 2.64Å; D116-R151 VanDerWaalsContact OD1-CZ 3.26Å; D116-R151 IonicContact OD1-NE 2.75Å; D116-R151 PolarHBondContact OD1-NE 2.88Å; D116-R151 IonicContact OD1-NH2 3.62Å; D116-R151 PolarHBondContact OD1-NH2 3.25Å; D116-R151 IonicContact OD2-CZ 2.7Å; D116-R151 IonicContact OD2-NE 3.26Å; D116-R151 IonicContact OD2-NH2 2.7Å; D116-R151 PolarHBondContact OD2-NH2 2.91Å; L149-R151 HydrophobicContact CD2-CB 4.23Å; R151-V158 WeakPolarHBondContact O-CA 3.41Å; R151-L159 HydrophobicContact CB-CB 4.31Å; R151-L159 PolarHBondContact N-O 3.13Å; R151-L159 PolarHBondContact O-N 2.74Å
152	I	94.9	Very high	93.9	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.7	175.7	-56.2	177.6	0	0	0	108.7	L49 L105 Y107 S114 L115 L117 V158	L49-I152 HydrophobicContact CD2-CD1 4.41Å; L105-I152 HydrophobicContact CB-CD1 4.37Å; L105-I152 HydrophobicContact CB-CG2 4.12Å; L105-I152 HydrophobicContact CD1-CD1 4.03Å; Y107-I152 HydrophobicContact CE1-CG2 4.17Å; Y107-I152 PolarHBondContact OH-O 2.8Å; S114-I152 CarbonylContact C-O 3.58Å; S114-I152 WeakPolarHBondContact CA-O 3.33Å; L115-I152 PolarHBondContact N-O 2.83Å; L115-I152 PolarHBondContact O-N 2.75Å; L117-I152 HydrophobicContact CD1-CD1 3.47Å; L117-I152 VanDerWaalsContact CD1-CD1 3.47Å; L117-I152 HydrophobicContact CD1-CG1 3.79Å; I152-V158 HydrophobicContact CG1-CG2 4.38Å
153	S	95.9	Very high	94.1	Very high	37 Å²	37	52.8 Å²	52.8	26%	0.259	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	152.7	173.3	-57.8	0	0	0	0	111.2	D113 N155 G156 N157	D113-S153 WeakPolarHBondContact O-CA 3.29Å; S153-N155 WeakPolarHBondContact CB-OD1 3.31Å; S153-N155 PolarHBondContact O-N 2.87Å; S153-G156 PolarHBondContact O-N 3.2Å; S153-N157 PolarHBondContact N-O 2.97Å
154	K	94.3	Very high	94.5	Very high	65 Å²	65	47.2 Å²	47.2	28%	0.283	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-37.2	178.4	-83.5	177.6	-179.5	155.1	0	115.3	A106 Y107 Y110 P111 D112 D113 G156	A106-K154 CarbonylContact C-O 3.29Å; A106-K154 WeakPolarHBondContact CA-O 3.42Å; Y107-K154 HydrophobicContact CD2-CG 3.86Å; Y107-K154 HydrophobicContact CE1-CG 4.45Å; Y107-K154 HydrophobicContact CE2-CB 4.31Å; Y107-K154 HydrophobicContact CE2-CD 4.47Å; Y107-K154 HydrophobicContact CE2-CG 3.35Å; Y107-K154 PolarHBondContact N-O 3.04Å; Y110-K154 WeakPolarHBondContact O-CE 3.35Å; P111-K154 WeakPolarHBondContact O-CE 2.9Å; P111-K154 PolarHBondContact O-NZ 2.68Å; D112-K154 VanDerWaalsContact O-CE 3.24Å; D112-K154 WeakPolarHBondContact O-CE 3.49Å; D113-K154 PolarHBondContact O-N 2.96Å; D113-K154 WeakPolarHBondContact OD1-CE 3.43Å; D113-K154 IonicContact OD1-NZ 2.69Å; D113-K154 PolarHBondContact OD1-NZ 3.29Å; K154-G156 PolarHBondContact O-N 2.97Å
155	N	94.7	Very high	94.9	Very high	92 Å²	92	42 Å²	42	49%	0.492	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	6.3	-178.5	70.4	-18.4	0	0	0	114.8	N101 S153 N157	N101-N155 PolarHBondContact ND2-O 2.78Å; S153-N155 WeakPolarHBondContact CB-OD1 3.31Å; S153-N155 PolarHBondContact O-N 2.87Å; N155-N157 VanDerWaalsContact C-N 3.34Å; N155-N157 PolarHBondContact ND2-ND2 3Å; N155-N157 VanDerWaalsContact ND2-ND2 3.12Å; N155-N157 VanDerWaalsContact OD1-CB 3.29Å; N155-N157 WeakPolarHBondContact OD1-CB 3.47Å; N155-N157 PolarHBondContact OD1-N 3.19Å; N155-N157 VanDerWaalsContact OD1-N 3.09Å
156	G	94.4	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	81.3	7.1	-176.2	0	0	0	0	0	114.4	D102 S153 K154 V158	D102-G156 PolarHBondContact N-O 2.88Å; S153-G156 PolarHBondContact O-N 3.2Å; K154-G156 PolarHBondContact O-N 2.97Å; G156-V158 PolarHBondContact O-N 2.81Å
157	N	96.7	Very high	95.8	Very high	64 Å²	64	35.8 Å²	35.8	34%	0.342	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.4	170.3	-73.4	-3.3	0	0	0	109.8	W100 N101 S153 N155	W100-N157 CarbonylContact O-C 3.28Å; W100-N157 WeakPolarHBondContact O-CA 3.35Å; N101-N157 PolarHBondContact ND2-OD1 3.5Å; S153-N157 PolarHBondContact N-O 2.97Å; N155-N157 VanDerWaalsContact C-N 3.34Å; N155-N157 PolarHBondContact ND2-ND2 3Å; N155-N157 VanDerWaalsContact ND2-ND2 3.12Å; N155-N157 VanDerWaalsContact OD1-CB 3.29Å; N155-N157 WeakPolarHBondContact OD1-CB 3.47Å; N155-N157 PolarHBondContact OD1-N 3.19Å; N155-N157 VanDerWaalsContact OD1-N 3.09Å
158	V	96.7	Very high	96	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.6	177.3	-173	0	0	0	0	108.7	Q99 W100 D102 L105 L150 R151 I152 G156	Q99-V158 WeakPolarHBondContact CA-O 3.49Å; W100-V158 HydrophobicContact CD2-CB 4.16Å; W100-V158 HydrophobicContact CH2-CB 4.39Å; W100-V158 HydrophobicContact CH2-CG1 3.83Å; W100-V158 HydrophobicContact CZ2-CB 3.88Å; W100-V158 HydrophobicContact CZ2-CG1 3.58Å; W100-V158 HydrophobicContact CZ2-CG2 4.38Å; W100-V158 HydrophobicContact CZ3-CG1 4.45Å; W100-V158 PolarHBondContact N-O 3.2Å; W100-V158 PolarHBondContact O-N 3.12Å; D102-V158 HydrophobicContact CB-CG2 4.42Å; L105-V158 HydrophobicContact CD1-CG2 3.88Å; L150-V158 HydrophobicContact CD1-CG1 3.46Å; L150-V158 VanDerWaalsContact CD1-CG1 3.46Å; R151-V158 WeakPolarHBondContact O-CA 3.41Å; I152-V158 HydrophobicContact CG1-CG2 4.38Å; G156-V158 PolarHBondContact O-N 2.81Å
159	L	96.6	Very high	96.2	Very high	43 Å²	43	32.1 Å²	32.1	23%	0.225	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.7	167	170.5	67.5	0	0	0	108.5	R97 Q99 L149 L150 R151	R97-L159 HydrophobicContact CB-CD1 4.27Å; Q99-L159 HydrophobicContact CG-CB 4.45Å; Q99-L159 HydrophobicContact CG-CD1 3.59Å; L149-L159 HydrophobicContact CD2-CD2 4.33Å; L149-L159 HydrophobicContact CD2-CG 4.41Å; L150-L159 WeakPolarHBondContact CA-O 3.28Å; R151-L159 HydrophobicContact CB-CB 4.31Å; R151-L159 PolarHBondContact N-O 3.13Å; R151-L159 PolarHBondContact O-N 2.74Å
160	Y	96.5	Very high	96.3	Very high	20 Å²	20	28.9 Å²	28.9	8%	0.078	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.4	174	176.3	-131.9	0	0	0	109.2	R97 Q98 W100 L122 L149 I162	R97-Y160 CarbonylContact C-O 3.4Å; R97-Y160 WeakPolarHBondContact CA-O 3.33Å; Q98-Y160 PolarHBondContact N-O 2.66Å; Q98-Y160 PolarHBondContact O-N 2.93Å; W100-Y160 HydrophobicContact CH2-CD1 4.42Å; W100-Y160 HydrophobicContact CH2-CG 4.31Å; W100-Y160 HydrophobicContact CZ3-CD1 4.35Å; W100-Y160 HydrophobicContact CZ3-CG 4.39Å; L122-Y160 HydrophobicContact CD1-CE2 3.79Å; L122-Y160 HydrophobicContact CD2-CD2 3.65Å; L122-Y160 HydrophobicContact CD2-CE2 3.41Å; L122-Y160 VanDerWaalsContact CD2-CE2 3.41Å; L122-Y160 HydrophobicContact CG-CE2 4.28Å; L149-Y160 WeakPolarHBondContact O-CA 3.41Å; Y160-I162 HydrophobicContact CD2-CG2 4.1Å; Y160-I162 HydrophobicContact CE1-CD1 4.08Å; Y160-I162 HydrophobicContact CE1-CG2 4.02Å; Y160-I162 HydrophobicContact CE2-CG2 3.34Å; Y160-I162 WeakPolarHBondContact OH-CG2 3.47Å
161	S	96.6	Very high	96.4	Very high	19 Å²	19	33.9 Å²	33.9	13%	0.133	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.3	-179.5	170.8	0	0	0	0	110.5	L96 K148 L149	L96-S161 CarbonylContact O-C 3.51Å; L96-S161 WeakPolarHBondContact O-CA 3.45Å; K148-S161 CarbonylContact C-O 3.46Å; K148-S161 WeakPolarHBondContact CA-O 3.46Å; L149-S161 PolarHBondContact N-O 2.99Å; L149-S161 PolarHBondContact O-N 2.85Å
162	I	96.3	Very high	96.4	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.056	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	143	-177.3	55.7	178.6	0	0	0	112.7	F95 L96 F140 K148 Y160 I164	F95-I162 CarbonylContact C-O 3.53Å; F95-I162 WeakPolarHBondContact CA-O 3.39Å; L96-I162 HydrophobicContact CB-CG1 4.16Å; L96-I162 HydrophobicContact CD2-CD1 4.39Å; L96-I162 HydrophobicContact CD2-CG1 4.5Å; L96-I162 PolarHBondContact N-O 3.48Å; L96-I162 PolarHBondContact O-N 2.9Å; F140-I162 HydrophobicContact CE1-CD1 4.29Å; K148-I162 HydrophobicContact CB-CG2 3.95Å; K148-I162 HydrophobicContact CG-CG2 3.87Å; Y160-I162 HydrophobicContact CD2-CG2 4.1Å; Y160-I162 HydrophobicContact CE1-CD1 4.08Å; Y160-I162 HydrophobicContact CE1-CG2 4.02Å; Y160-I162 HydrophobicContact CE2-CG2 3.34Å; Y160-I162 WeakPolarHBondContact OH-CG2 3.47Å; I162-I164 HydrophobicContact CD1-CD1 3.64Å; I162-I164 HydrophobicContact CD1-CG1 4.12Å; I162-I164 HydrophobicContact CG1-CD1 3.98Å; I162-I164 HydrophobicContact CG1-CG1 4.09Å
163	R	96.8	Very high	96.3	Very high	72 Å²	72	33.7 Å²	33.7	27%	0.272	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.4	172.5	-170.9	-176.8	-169.2	-173.1	-2	111.1	N93 I94 F95 H141 N147	N93-R163 PolarHBondContact OD1-NE 2.75Å; N93-R163 VanDerWaalsContact OD1-NE 3.12Å; N93-R163 PolarHBondContact OD1-NH2 2.89Å; I94-R163 WeakPolarHBondContact O-CA 3.45Å; F95-R163 HydrophobicContact CD1-CB 3.85Å; F95-R163 HydrophobicContact CD1-CG 3.82Å; F95-R163 HydrophobicContact CE1-CB 4.03Å; F95-R163 HydrophobicContact CE1-CG 3.69Å; H141-R163 HydrophobicContact CB-CG 4.42Å; N147-R163 HydrophobicContact CB-CB 3.77Å; N147-R163 PolarHBondContact O-N 3.26Å
164	I	97.1	Very high	96.3	Very high	8 Å²	8	32 Å²	32	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.5	179.3	-43.2	176	0	0	0	109.6	N93 I94 L96 F132 A138 N139 F140 I162 L166	N93-I164 WeakPolarHBondContact CA-O 3.44Å; I94-I164 PolarHBondContact N-O 3.27Å; I94-I164 PolarHBondContact O-N 3.37Å; L96-I164 HydrophobicContact CD2-CD1 4.35Å; F132-I164 HydrophobicContact CE2-CD1 4.14Å; A138-I164 HydrophobicContact CB-CG2 4.42Å; N139-I164 WeakPolarHBondContact O-CG2 3.43Å; F140-I164 HydrophobicContact CD1-CG1 4.14Å; F140-I164 HydrophobicContact CE1-CD1 4.09Å; F140-I164 HydrophobicContact CE1-CG1 4.07Å; I162-I164 HydrophobicContact CD1-CD1 3.64Å; I162-I164 HydrophobicContact CD1-CG1 4.12Å; I162-I164 HydrophobicContact CG1-CD1 3.98Å; I162-I164 HydrophobicContact CG1-CG1 4.09Å; I164-L166 HydrophobicContact CG2-CD2 3.62Å; I164-L166 HydrophobicContact CG2-CG 4.08Å
165	T	97.8	Very high	96.2	Very high	27 Å²	27	34 Å²	34	17%	0.166	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	124.5	160.1	-64.5	0	0	0	0	108.8	R91 V92 N93 A138 N139 H141	R91-T165 HydrophobicContact CG-CG2 3.79Å; V92-T165 CarbonylContact O-C 3.53Å; V92-T165 WeakPolarHBondContact O-CA 3.38Å; N93-T165 PolarHBondContact ND2-OG1 3.18Å; A138-T165 WeakPolarHBondContact CA-O 3.36Å; N139-T165 PolarHBondContact N-O 2.64Å; N139-T165 PolarHBondContact O-N 2.89Å; H141-T165 PolarHBondContact CE1-OG1 2.79Å; H141-T165 VanDerWaalsContact CE1-OG1 3.27Å; H141-T165 PolarHBondContact NE2-N 3.22Å; H141-T165 PolarHBondContact NE2-OG1 3.15Å
166	L	97.7	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144.3	178	-56.9	169.2	0	0	0	110.1	R91 V92 I94 F132 A138 I164 L168 M186	R91-L166 WeakPolarHBondContact CA-O 3.33Å; V92-L166 HydrophobicContact CG1-CB 3.98Å; V92-L166 HydrophobicContact CG1-CD1 4.33Å; V92-L166 PolarHBondContact N-O 3.11Å; V92-L166 PolarHBondContact O-N 3.04Å; I94-L166 HydrophobicContact CD1-CD1 3.76Å; I94-L166 HydrophobicContact CG1-CD1 4.34Å; F132-L166 HydrophobicContact CD1-CD1 3.79Å; F132-L166 HydrophobicContact CD2-CD1 4.01Å; F132-L166 HydrophobicContact CD2-CD2 3.75Å; F132-L166 HydrophobicContact CE1-CD1 3.53Å; F132-L166 HydrophobicContact CE2-CD1 3.8Å; F132-L166 HydrophobicContact CE2-CD2 3.88Å; F132-L166 HydrophobicContact CE2-CG 4.45Å; F132-L166 HydrophobicContact CG-CD1 4.03Å; F132-L166 HydrophobicContact CG-CD2 4.3Å; F132-L166 HydrophobicContact CZ-CD1 3.56Å; F132-L166 HydrophobicContact CZ-CD2 4.49Å; A138-L166 HydrophobicContact CB-CD2 3.57Å; I164-L166 HydrophobicContact CG2-CD2 3.62Å; I164-L166 HydrophobicContact CG2-CG 4.08Å; L166-L168 HydrophobicContact CB-CD1 4.31Å; L166-L168 HydrophobicContact CB-CD2 4.27Å; L166-L168 HydrophobicContact CB-CG 3.93Å; L166-L168 HydrophobicContact CD1-CD1 4.19Å; L166-L168 HydrophobicContact CD1-CD2 4.44Å; L166-L168 HydrophobicContact CD1-CG 4.48Å; L166-M186 HydrophobicContact CD1-CE 4.35Å
167	V	98.1	Very high	96.2	Very high	30 Å²	30	31 Å²	31	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	108	160.5	179.9	0	0	0	0	106.7	D89 Y90 R91 K136 G137	D89-V167 HydrophobicContact CB-CG1 3.99Å; Y90-V167 WeakPolarHBondContact O-CA 3.24Å; R91-V167 HydrophobicContact CG-CG2 4.41Å; K136-V167 HydrophobicContact CB-CG1 4.39Å; K136-V167 PolarHBondContact N-O 2.93Å; G137-V167 PolarHBondContact O-N 2.83Å
168	L	98	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.2	-172.8	-67.2	172.2	0	0	0	110.4	D89 Y90 V92 F132 N134 E135 L166 M186	D89-L168 WeakPolarHBondContact CA-O 3.43Å; D89-L168 WeakPolarHBondContact CB-O 3.39Å; Y90-L168 HydrophobicContact CD1-CB 4.08Å; Y90-L168 VanDerWaalsContact CD1-O 3.29Å; Y90-L168 WeakPolarHBondContact CD1-O 3.27Å; Y90-L168 HydrophobicContact CE1-CB 3.49Å; Y90-L168 VanDerWaalsContact CE1-CB 3.49Å; Y90-L168 HydrophobicContact CE1-CD1 4.44Å; Y90-L168 HydrophobicContact CE2-CB 4.28Å; Y90-L168 HydrophobicContact CE2-CD1 4.07Å; Y90-L168 PolarHBondContact N-O 2.85Å; Y90-L168 PolarHBondContact O-N 2.98Å; Y90-L168 VanDerWaalsContact OH-CD1 3.31Å; Y90-L168 WeakPolarHBondContact OH-CD1 3.3Å; V92-L168 HydrophobicContact CG1-CD1 3.97Å; F132-L168 HydrophobicContact CB-CD2 4.27Å; N134-L168 CarbonylContact O-C 3.48Å; N134-L168 WeakPolarHBondContact O-CA 3.46Å; E135-L168 HydrophobicContact CB-CD2 4.33Å; L166-L168 HydrophobicContact CB-CD1 4.31Å; L166-L168 HydrophobicContact CB-CD2 4.27Å; L166-L168 HydrophobicContact CB-CG 3.93Å; L166-L168 HydrophobicContact CD1-CD1 4.19Å; L166-L168 HydrophobicContact CD1-CD2 4.44Å; L166-L168 HydrophobicContact CD1-CG 4.48Å; L168-M186 HydrophobicContact CD1-CB 3.97Å; L168-M186 HydrophobicContact CD1-CE 3.65Å; L168-M186 HydrophobicContact CD1-CG 3.78Å
169	A	97.8	Very high	95.9	Very high	28 Å²	28	28.4 Å²	28.4	23%	0.231	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.6	174.2	0	0	0	0	0	110.4	N134 K136	N134-A169 PolarHBondContact ND2-O 3.08Å; N134-A169 PolarHBondContact O-N 3.06Å; K136-A169 HydrophobicContact CG-CB 4.4Å
170	C	96.8	Very high	95.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.007	14%	0.143	C	C	.	.			trans	-129.8	99.6	174.3	176.3	0	0	0	0	109.2	M88 Y90 M172 C184	M88-C170 CarbonylContact C-O 3.55Å; M88-C170 WeakPolarHBondContact CB-O 3.28Å; M88-C170 PolarHBondContact O-N 3.38Å; Y90-C170 HydrophobicContact CD1-CB 3.63Å; Y90-C170 HydrophobicContact CE1-CB 3.87Å; C170-M172 PolarHBondContact O-N 2.9Å; C170-M172 VanDerWaalsContact O-N 3.11Å; C170-C184 HydrophobicContact CB-CB 3.76Å; C170-C184 WeakPolarHBondContact CB-SG 3.34Å; C170-C184 WeakPolarHBondContact SG-CA 3.36Å; C170-C184 WeakPolarHBondContact SG-CB 3.45Å; C170-C184 CovalentContact SG-SG 2.04Å; C170-C184 PolarHBondContact SG-SG 3.37Å
171	P	95.4	Very high	95.6	Very high	106 Å²	106	26.5 Å²	26.5	69%	0.688	14%	0.144	S	C	*	.			trans	-69.2	107.8	175.5	28.2	-32.4	0	0	0	109.6
172	M	94.8	Very high	95.6	Very high	10 Å²	10	26 Å²	26	5%	0.049	14%	0.14	C	C	.	.			trans	-91.8	141	-176	-73.8	177.2	-97.2	0	0	112.3	I83 E85 C170 L174 Q182	I83-M172 HydrophobicContact CG2-CE 4.32Å; I83-M172 HydrophobicContact CG2-SD 4.41Å; E85-M172 HydrophobicContact CG-CE 4.43Å; E85-M172 HydrophobicContact CG-SD 4.25Å; C170-M172 PolarHBondContact O-N 2.9Å; C170-M172 VanDerWaalsContact O-N 3.11Å; M172-L174 HydrophobicContact CB-CD2 4.25Å; M172-L174 HydrophobicContact CB-CG 4.46Å; M172-Q182 VanDerWaalsContact CA-OE1 3.26Å; M172-Q182 HydrophobicContact CB-CG 4.42Å; M172-Q182 VanDerWaalsContact CB-OE1 3.3Å; M172-Q182 HydrophobicContact CG-CB 4.34Å; M172-Q182 HydrophobicContact CG-CG 3.93Å; M172-Q182 HydrophobicContact SD-CG 4.11Å
173	D	94.2	Very high	95.5	Very high	72 Å²	72	27.5 Å²	27.5	39%	0.385	15%	0.15	S	C	.	.			trans	-97.9	110.5	170.6	-169.1	-8.8	0	0	0	110	K175 Q182	D173-K175 VanDerWaalsContact OD1-CD 3.3Å; D173-K175 WeakPolarHBondContact OD1-CD 3.48Å; D173-K175 WeakPolarHBondContact OD1-CE 3.31Å; D173-K175 WeakPolarHBondContact OD1-CG 3.22Å; D173-K175 PolarHBondContact OD1-N 2.92Å; D173-K175 IonicContact OD1-NZ 2.65Å; D173-K175 WeakPolarHBondContact OD2-CD 3.47Å; D173-K175 VanDerWaalsContact OD2-CE 3.29Å; D173-K175 WeakPolarHBondContact OD2-CE 3.22Å; D173-K175 IonicContact OD2-NZ 3.48Å; D173-K175 PolarHBondContact OD2-NZ 2.86Å; D173-Q182 VanDerWaalsContact N-OE1 3.08Å; D173-Q182 PolarHBondContact O-NE2 2.88Å
174	L	95	Very high	95.5	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	14%	0.137	C	C	.	.			trans	-100.2	10.1	-171.8	-60.9	177	0	0	0	113.5	M172 N176 F177 P307 V309 Y311 K313	M172-L174 HydrophobicContact CB-CD2 4.25Å; M172-L174 HydrophobicContact CB-CG 4.46Å; L174-N176 PolarHBondContact O-N 2.92Å; L174-F177 HydrophobicContact CB-CB 4.26Å; L174-F177 HydrophobicContact CD2-CD2 4.39Å; L174-F177 WeakPolarHBondContact O-CB 3.48Å; L174-F177 PolarHBondContact O-N 3.45Å; L174-P307 HydrophobicContact CD1-CG 3.46Å; L174-P307 VanDerWaalsContact CD1-CG 3.46Å; L174-V309 HydrophobicContact CD1-CG1 4.5Å; L174-Y311 HydrophobicContact CB-CE2 4.24Å; L174-Y311 PolarHBondContact N-OH 3.44Å; L174-K313 HydrophobicContact CB-CD 4.1Å; L174-K313 WeakPolarHBondContact O-CG 3.28Å
175	K	93.4	Very high	95.5	Very high	107 Å²	107	25.5 Å²	25.5	47%	0.465	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-46.2	179.1	-73	161.2	-163.2	151.6	0	112.5	D173 F177 Y311 K313 A314	D173-K175 VanDerWaalsContact OD1-CD 3.3Å; D173-K175 WeakPolarHBondContact OD1-CD 3.48Å; D173-K175 WeakPolarHBondContact OD1-CE 3.31Å; D173-K175 WeakPolarHBondContact OD1-CG 3.22Å; D173-K175 PolarHBondContact OD1-N 2.92Å; D173-K175 IonicContact OD1-NZ 2.65Å; D173-K175 WeakPolarHBondContact OD2-CD 3.47Å; D173-K175 VanDerWaalsContact OD2-CE 3.29Å; D173-K175 WeakPolarHBondContact OD2-CE 3.22Å; D173-K175 IonicContact OD2-NZ 3.48Å; D173-K175 PolarHBondContact OD2-NZ 2.86Å; K175-F177 VanDerWaalsContact C-N 3.34Å; K175-Y311 HydrophobicContact CG-CD2 3.95Å; K175-Y311 HydrophobicContact CG-CE2 4.03Å; K175-K313 CarbonylContact O-C 3.54Å; K175-K313 VanDerWaalsContact O-CA 3.29Å; K175-K313 WeakPolarHBondContact O-CA 3.48Å; K175-A314 PolarHBondContact O-N 2.63Å
176	N	94.1	Very high	95.5	Very high	31 Å²	31	24.2 Å²	24.2	17%	0.166	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	4.3	-175.5	-64.8	-23.1	0	0	0	113.5	L174 M179 I443 D447	L174-N176 PolarHBondContact O-N 2.92Å; N176-M179 CarbonylContact O-C 3.54Å; N176-M179 WeakPolarHBondContact O-CA 3.31Å; N176-M179 PolarHBondContact O-N 2.81Å; N176-I443 WeakPolarHBondContact ND2-CG2 3.38Å; N176-D447 PolarHBondContact ND2-OD2 3.04Å
177	F	94.4	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	128	-175.1	174.4	-86.9	0	0	0	112.6	L174 K175 Y255 L306 A314 I315	L174-F177 HydrophobicContact CB-CB 4.26Å; L174-F177 HydrophobicContact CD2-CD2 4.39Å; L174-F177 WeakPolarHBondContact O-CB 3.48Å; L174-F177 PolarHBondContact O-N 3.45Å; K175-F177 VanDerWaalsContact C-N 3.34Å; F177-Y255 HydrophobicContact CE1-CE1 4.31Å; F177-Y255 HydrophobicContact CE2-CE1 4.02Å; F177-Y255 AromaticContact CE2-CZ 3.96Å; F177-Y255 HydrophobicContact CZ-CD1 4.08Å; F177-Y255 AromaticContact CZ-CE1 3.43Å; F177-Y255 HydrophobicContact CZ-CE1 3.43Å; F177-Y255 VanDerWaalsContact CZ-CE1 3.43Å; F177-Y255 AromaticContact CZ-CZ 3.87Å; F177-L306 HydrophobicContact CD1-CD1 3.97Å; F177-L306 HydrophobicContact CD2-CD2 4.31Å; F177-L306 HydrophobicContact CE1-CD1 3.64Å; F177-L306 HydrophobicContact CE1-CD2 4.26Å; F177-L306 HydrophobicContact CE1-CG 4.49Å; F177-L306 HydrophobicContact CE2-CD2 3.81Å; F177-L306 HydrophobicContact CZ-CD1 3.99Å; F177-L306 HydrophobicContact CZ-CD2 3.77Å; F177-L306 HydrophobicContact CZ-CG 4.36Å; F177-A314 WeakPolarHBondContact O-CB 3.23Å; F177-I315 HydrophobicContact CD1-CB 4.15Å; F177-I315 HydrophobicContact CD1-CG2 3.66Å; F177-I315 HydrophobicContact CE1-CB 4.43Å; F177-I315 HydrophobicContact CE1-CG2 4.04Å; F177-I315 PolarHBondContact O-N 3.46Å; F177-I315 VanDerWaalsContact O-N 3.13Å
178	P	93.9	Very high	95.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.3	14.6	10.1	36	-32	0	0	0	115.6	D180 R250 M252 Y255 Y260	P178-D180 VanDerWaalsContact C-N 3.28Å; P178-D180 WeakPolarHBondContact CA-OD1 3.44Å; P178-D180 PolarHBondContact O-N 3.09Å; P178-R250 WeakPolarHBondContact O-CD 3.14Å; P178-M252 VanDerWaalsContact C-SD 3.58Å; P178-M252 HydrophobicContact CB-SD 4.03Å; P178-M252 HydrophobicContact CG-CE 4.09Å; P178-M252 HydrophobicContact CG-SD 3.79Å; P178-Y255 HydrophobicContact CB-CD1 4.06Å; P178-Y255 HydrophobicContact CB-CD2 3.59Å; P178-Y255 HydrophobicContact CB-CE1 4.39Å; P178-Y255 HydrophobicContact CB-CE2 3.95Å; P178-Y255 HydrophobicContact CB-CG 3.64Å; P178-Y255 HydrophobicContact CG-CD1 4.37Å; P178-Y255 HydrophobicContact CG-CD2 4.19Å; P178-Y255 HydrophobicContact CG-CG 3.85Å; P178-Y260 WeakPolarHBondContact CD-OH 3.45Å; P178-Y260 HydrophobicContact CG-CE2 4.07Å
179	M	93.1	Very high	95.4	Very high	10 Å²	10	23.9 Å²	23.9	5%	0.049	13%	0.133	C	C	.	.	S	Bend	trans	-94.2	41.6	178.8	-68.8	175.8	-83.2	0	0	111.9	N176 M252 Y436 W437 Y440	N176-M179 CarbonylContact O-C 3.54Å; N176-M179 WeakPolarHBondContact O-CA 3.31Å; N176-M179 PolarHBondContact O-N 2.81Å; M179-M252 HydrophobicContact CB-SD 4.37Å; M179-M252 HydrophobicContact CE-CE 4.5Å; M179-M252 HydrophobicContact CG-CE 3.42Å; M179-M252 VanDerWaalsContact CG-CE 3.42Å; M179-M252 HydrophobicContact CG-CG 4.28Å; M179-M252 HydrophobicContact CG-SD 3.38Å; M179-M252 WeakPolarHBondContact CG-SD 3.38Å; M179-M252 HydrophobicContact SD-CE 3.93Å; M179-Y436 HydrophobicContact CE-CE1 3.81Å; M179-W437 HydrophobicContact CE-CE3 4.43Å; M179-W437 HydrophobicContact CE-CZ3 4.13Å; M179-W437 HydrophobicContact SD-CE3 4.1Å; M179-W437 HydrophobicContact SD-CZ3 3.85Å; M179-Y440 HydrophobicContact CE-CD1 4.47Å; M179-Y440 HydrophobicContact CE-CD2 4.02Å; M179-Y440 HydrophobicContact CE-CG 3.7Å
180	D	93.6	Very high	95.4	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.021	12%	0.122	C	C	.	.			trans	-101.6	149.1	-173.7	53.8	-54.3	0	0	0	114	P178 Q182 R250	P178-D180 VanDerWaalsContact C-N 3.28Å; P178-D180 WeakPolarHBondContact CA-OD1 3.44Å; P178-D180 PolarHBondContact O-N 3.09Å; D180-Q182 PolarHBondContact OD2-NE2 2.96Å; D180-R250 VanDerWaalsContact CG-NE 3.32Å; D180-R250 PolarHBondContact O-N 2.92Å; D180-R250 WeakPolarHBondContact OD1-CD 3.31Å; D180-R250 IonicContact OD1-CZ 3.6Å; D180-R250 IonicContact OD1-NE 3.57Å; D180-R250 PolarHBondContact OD1-NE 2.88Å; D180-R250 IonicContact OD1-NH2 2.68Å; D180-R250 IonicContact OD2-CZ 2.69Å; D180-R250 IonicContact OD2-NE 3.7Å; D180-R250 PolarHBondContact OD2-NE 2.94Å; D180-R250 VanDerWaalsContact OD2-NE 3.12Å; D180-R250 IonicContact OD2-NH2 2.67Å; D180-R250 PolarHBondContact OD2-NH2 3.02Å
181	V	93.7	Very high	95.3	Very high	19 Å²	19	30 Å²	30	12%	0.115	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.8	165.8	-178.3	0	0	0	0	107.6	L248 E249 I448	V181-L248 WeakPolarHBondContact CA-O 3.33Å; V181-E249 HydrophobicContact CG2-CB 4.41Å; V181-E249 HydrophobicContact CG2-CG 4.23Å; V181-I448 HydrophobicContact CG2-CD1 4.36Å; V181-I448 HydrophobicContact CG2-CG1 3.96Å
182	Q	94.9	Very high	95.2	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.037	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	145.6	178.8	-60.6	-57.5	-27.6	0	0	110.4	M172 D173 D180 F219 H247 L248	M172-Q182 VanDerWaalsContact CA-OE1 3.26Å; M172-Q182 HydrophobicContact CB-CG 4.42Å; M172-Q182 VanDerWaalsContact CB-OE1 3.3Å; M172-Q182 HydrophobicContact CG-CB 4.34Å; M172-Q182 HydrophobicContact CG-CG 3.93Å; M172-Q182 HydrophobicContact SD-CG 4.11Å; D173-Q182 VanDerWaalsContact N-OE1 3.08Å; D173-Q182 PolarHBondContact O-NE2 2.88Å; D180-Q182 PolarHBondContact OD2-NE2 2.96Å; Q182-F219 HydrophobicContact CG-CE1 4.41Å; Q182-H247 WeakPolarHBondContact O-CA 3.33Å; Q182-L248 HydrophobicContact CB-CB 4.4Å; Q182-L248 PolarHBondContact N-O 2.94Å; Q182-L248 PolarHBondContact O-N 3.49Å
183	T	95.3	Very high	95.3	Very high	44 Å²	44	29.6 Å²	29.6	27%	0.27	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	98.5	174.1	-59.5	0	0	0	0	108.6	R245 F246 H247	T183-R245 HydrophobicContact CG2-CB 3.89Å; T183-F246 WeakPolarHBondContact CA-O 3.09Å; T183-H247 PolarHBondContact OG1-ND1 2.63Å; T183-H247 VanDerWaalsContact OG1-ND1 3.09Å
184	C	96.8	Very high	95.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	130	179.6	-68.3	0	0	0	0	110.6	Y90 C170 F246 L248	Y90-C184 HydrophobicContact CD1-CB 4.07Å; Y90-C184 HydrophobicContact CE1-CB 3.74Å; C170-C184 HydrophobicContact CB-CB 3.76Å; C170-C184 WeakPolarHBondContact CB-SG 3.34Å; C170-C184 WeakPolarHBondContact SG-CA 3.36Å; C170-C184 WeakPolarHBondContact SG-CB 3.45Å; C170-C184 CovalentContact SG-SG 2.04Å; C170-C184 PolarHBondContact SG-SG 3.37Å; C184-F246 PolarHBondContact N-O 2.87Å; C184-F246 WeakPolarHBondContact O-CD2 3.34Å; C184-F246 PolarHBondContact O-N 3.37Å; C184-L248 HydrophobicContact CB-CD1 4.16Å
185	I	96.8	Very high	95.5	Very high	36 Å²	36	30.2 Å²	30.2	19%	0.185	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	152.1	-176.5	68.3	179.9	0	0	0	111.6	Y90 N134 Q187 A244 R245	Y90-I185 PolarHBondContact OH-O 3.09Å; N134-I185 PolarHBondContact ND2-O 3.29Å; I185-Q187 HydrophobicContact CD1-CG 4.09Å; I185-Q187 HydrophobicContact CG1-CG 4.39Å; I185-A244 WeakPolarHBondContact CA-O 3.35Å; I185-R245 HydrophobicContact CG2-CB 4.29Å; I185-R245 HydrophobicContact CG2-CG 3.97Å
186	M	97.4	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.4	167.1	176.9	-170.8	-69.7	0	0	106.8	I75 V92 I94 F132 L166 L168 L188 E243 A244 F246	I75-M186 HydrophobicContact CD1-CE 4.45Å; I75-M186 HydrophobicContact CD1-SD 3.81Å; V92-M186 HydrophobicContact CG1-CE 3.76Å; I94-M186 HydrophobicContact CD1-CE 4.34Å; I94-M186 HydrophobicContact CD1-SD 4.36Å; I94-M186 HydrophobicContact CG2-CE 4.17Å; F132-M186 HydrophobicContact CD1-CG 3.9Å; F132-M186 HydrophobicContact CD1-SD 4.4Å; F132-M186 HydrophobicContact CE1-CG 3.98Å; F132-M186 HydrophobicContact CE1-SD 3.88Å; L166-M186 HydrophobicContact CD1-CE 4.35Å; L168-M186 HydrophobicContact CD1-CB 3.97Å; L168-M186 HydrophobicContact CD1-CE 3.65Å; L168-M186 HydrophobicContact CD1-CG 3.78Å; M186-L188 HydrophobicContact CG-CD1 3.87Å; M186-L188 HydrophobicContact SD-CD1 4.12Å; M186-E243 VanDerWaalsContact O-CA 3.27Å; M186-E243 WeakPolarHBondContact O-CA 3.22Å; M186-A244 PolarHBondContact N-O 3.01Å; M186-A244 PolarHBondContact O-N 2.88Å; M186-F246 HydrophobicContact CB-CE2 3.95Å; M186-F246 HydrophobicContact CE-CE2 4.18Å; M186-F246 HydrophobicContact CE-CZ 4.45Å
187	Q	97.3	Very high	95.8	Very high	23 Å²	23	32.2 Å²	32.2	11%	0.107	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.8	-179.8	-60.1	-166.2	-36.3	0	0	109.4	F132 A133 N134 I185 E243	F132-Q187 CarbonylContact C-O 3.54Å; F132-Q187 VanDerWaalsContact CA-O 3.22Å; F132-Q187 WeakPolarHBondContact CA-O 3.43Å; A133-Q187 HydrophobicContact CB-CB 4.05Å; A133-Q187 PolarHBondContact N-O 3.41Å; N134-Q187 PolarHBondContact OD1-N 3.24Å; N134-Q187 VanDerWaalsContact OD1-N 3.15Å; I185-Q187 HydrophobicContact CD1-CG 4.09Å; I185-Q187 HydrophobicContact CG1-CG 4.39Å; Q187-E243 HydrophobicContact CG-CB 3.93Å; Q187-E243 PolarHBondContact NE2-OE2 3.02Å
188	L	97.8	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.6	178.3	-59.5	77.6	0	0	0	107.6	L96 L130 F132 M186 W202 C241 I242	L96-L188 HydrophobicContact CD1-CD2 3.77Å; L130-L188 HydrophobicContact CD1-CB 4.22Å; L130-L188 HydrophobicContact CD1-CD2 3.94Å; L130-L188 HydrophobicContact CD2-CB 4.12Å; L130-L188 HydrophobicContact CD2-CD2 4.1Å; L130-L188 HydrophobicContact CD2-CG 4.28Å; L130-L188 HydrophobicContact CG-CB 4.27Å; F132-L188 HydrophobicContact CD1-CD1 4.39Å; F132-L188 HydrophobicContact CD1-CG 3.9Å; F132-L188 HydrophobicContact CE1-CD1 4.14Å; F132-L188 HydrophobicContact CE1-CD2 3.93Å; F132-L188 HydrophobicContact CE1-CG 3.61Å; F132-L188 HydrophobicContact CZ-CD2 4.32Å; F132-L188 HydrophobicContact CZ-CG 4.38Å; M186-L188 HydrophobicContact CG-CD1 3.87Å; M186-L188 HydrophobicContact SD-CD1 4.12Å; L188-W202 HydrophobicContact CD1-CH2 3.86Å; L188-W202 HydrophobicContact CD1-CZ2 4.22Å; L188-C241 VanDerWaalsContact O-CA 3.28Å; L188-C241 WeakPolarHBondContact O-CA 3.47Å; L188-I242 HydrophobicContact CB-CG1 3.97Å; L188-I242 PolarHBondContact N-O 3.3Å; L188-I242 PolarHBondContact O-N 2.96Å
189	E	97.1	Very high	96.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155	-169.7	-174.4	169.1	-177.1	0	0	111.2	L130 F131 A133 K232 Y234 F239 T240 C241	L130-E189 WeakPolarHBondContact CA-O 3.4Å; F131-E189 HydrophobicContact CD1-CB 4.24Å; F131-E189 WeakPolarHBondContact CD1-O 3.5Å; F131-E189 HydrophobicContact CE1-CB 3.65Å; F131-E189 HydrophobicContact CE1-CG 3.67Å; F131-E189 HydrophobicContact CZ-CB 3.91Å; F131-E189 HydrophobicContact CZ-CG 3.94Å; F131-E189 PolarHBondContact N-O 3.38Å; F131-E189 PolarHBondContact O-N 2.59Å; A133-E189 HydrophobicContact CB-CB 4.34Å; A133-E189 WeakPolarHBondContact CB-OE2 3.4Å; E189-K232 VanDerWaalsContact OE1-CB 3.25Å; E189-K232 WeakPolarHBondContact OE1-CB 3.47Å; E189-K232 WeakPolarHBondContact OE1-CG 3.44Å; E189-K232 VanDerWaalsContact OE2-CG 3.27Å; E189-K232 WeakPolarHBondContact OE2-CG 3.45Å; E189-Y234 WeakPolarHBondContact OE1-CE2 3.3Å; E189-F239 HydrophobicContact CG-CB 4.4Å; E189-T240 WeakPolarHBondContact CA-O 3.13Å; E189-T240 WeakPolarHBondContact CG-O 3.47Å; E189-C241 HydrophobicContact CB-CB 4.35Å; E189-C241 HydrophobicContact CG-CB 4.26Å
190	S	97.1	Very high	96.4	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.6	174	170.7	0	0	0	0	109.7	D129 Y193 F239 T240	D129-S190 WeakPolarHBondContact OD1-CB 3.46Å; D129-S190 PolarHBondContact OD1-OG 3.35Å; D129-S190 PolarHBondContact OD2-OG 2.65Å; S190-Y193 PolarHBondContact OG-N 2.78Å; S190-Y193 PolarHBondContact OG-O 2.8Å; S190-F239 VanDerWaalsContact O-CD1 3.29Å; S190-F239 WeakPolarHBondContact O-CD1 3.31Å; S190-T240 PolarHBondContact N-O 2.05Å
191	F	95	Very high	96.6	Very high	156 Å²	156	36.5 Å²	36.5	68%	0.684	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	-43	-172.1	-168.4	-91.6	0	0	0	113.7	D129 F131 F239	D129-F191 PolarHBondContact O-N 2.88Å; D129-F191 PolarHBondContact OD2-N 3.32Å; F131-F191 HydrophobicContact CD1-CB 3.7Å; F131-F191 HydrophobicContact CD1-CD2 4.03Å; F131-F191 HydrophobicContact CD1-CG 4.39Å; F131-F191 HydrophobicContact CE1-CB 3.91Å; F131-F191 AromaticContact CE1-CD2 3.91Å; F131-F191 HydrophobicContact CE1-CD2 3.91Å; F131-F191 HydrophobicContact CE1-CG 4.41Å; F131-F191 HydrophobicContact CE2-CD2 4.43Å; F131-F191 HydrophobicContact CG-CD2 4.36Å; F131-F191 HydrophobicContact CZ-CD2 4.14Å; F191-F239 WeakPolarHBondContact O-CE1 3.29Å
192	G	94	Very high	96.7	Very high	52 Å²	52	36.6 Å²	36.6	54%	0.536	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-24.7	-172.1	0	0	0	0	0	114.6	D129	D129-G192 VanDerWaalsContact OD2-CA 3.31Å; D129-G192 WeakPolarHBondContact OD2-CA 3.37Å; D129-G192 PolarHBondContact OD2-N 2.91Å
193	Y	96.6	Very high	96.8	Very high	56 Å²	56	37.7 Å²	37.7	22%	0.22	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.1	178.4	-64	-68.3	0	0	0	112.5	R61 W126 D129 S190 D197 L198 F239	R61-Y193 HydrophobicContact CB-CE1 4.35Å; W126-Y193 HydrophobicContact CZ2-CD2 4.34Å; W126-Y193 AromaticContact CZ2-CE2 3.75Å; W126-Y193 HydrophobicContact CZ2-CE2 3.75Å; W126-Y193 AromaticContact NE1-CE2 3.85Å; W126-Y193 AromaticContact NE1-CZ 3.74Å; W126-Y193 PolarHBondContact NE1-OH 2.92Å; D129-Y193 WeakPolarHBondContact OD1-CD2 3.34Å; D129-Y193 PolarHBondContact OD2-N 2.88Å; S190-Y193 PolarHBondContact OG-N 2.78Å; S190-Y193 PolarHBondContact OG-O 2.8Å; Y193-D197 HydrophobicContact CD1-CB 3.99Å; Y193-D197 HydrophobicContact CG-CB 4.48Å; Y193-L198 HydrophobicContact CD2-CD1 3.71Å; Y193-L198 HydrophobicContact CG-CB 4.29Å; Y193-L198 HydrophobicContact CG-CD1 4.22Å; Y193-F239 VanDerWaalsContact O-CD1 3.28Å; Y193-F239 WeakPolarHBondContact O-CD1 3.38Å
194	T	97.3	Very high	96.5	Very high	33 Å²	33	44.9 Å²	44.9	20%	0.202	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	166.2	174.1	72.1	0	0	0	0	111.5	N196 D197 L198 K238 F239	T194-N196 PolarHBondContact O-N 2.81Å; T194-N196 PolarHBondContact OG1-N 2.94Å; T194-D197 PolarHBondContact O-N 2.77Å; T194-L198 PolarHBondContact O-N 3.37Å; T194-K238 WeakPolarHBondContact CA-O 3.48Å; T194-K238 WeakPolarHBondContact CB-O 3.29Å; T194-F239 HydrophobicContact CG2-CE1 4.38Å; T194-F239 HydrophobicContact CG2-CZ 4.3Å
195	M	96.3	Very high	96.1	Very high	53 Å²	53	53.5 Å²	53.5	26%	0.261	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-20.7	172.3	-76.1	-69.7	-55.7	0	0	115.1	I199 T231 K238 T240	M195-I199 HydrophobicContact CE-CD1 4.46Å; M195-I199 HydrophobicContact CE-CG1 4.19Å; M195-T231 HydrophobicContact CG-CG2 4.15Å; M195-T231 HydrophobicContact SD-CG2 4.16Å; M195-K238 HydrophobicContact CG-CB 4.11Å; M195-K238 PolarHBondContact N-O 3.15Å; M195-T240 WeakPolarHBondContact SD-CA 3.21Å; M195-T240 WeakPolarHBondContact SD-CB 3.41Å
196	N	96.2	Very high	95.6	Very high	128 Å²	128	53.6 Å²	53.6	68%	0.684	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-17.9	177.6	-61.4	-24.2	0	0	0	113	T194	T194-N196 PolarHBondContact O-N 2.81Å; T194-N196 PolarHBondContact OG1-N 2.94Å
197	D	96.9	Very high	95.3	Very high	51 Å²	51	53.8 Å²	53.8	27%	0.273	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-30.1	-174.6	-73.6	-63.2	0	0	0	113.2	R61 P68 V69 Y193 T194	R61-D197 IonicContact CZ-OD1 3.69Å; R61-D197 IonicContact NE-OD1 3.42Å; R61-D197 PolarHBondContact NE-OD1 2.88Å; R61-D197 IonicContact NH2-OD1 2.99Å; R61-D197 PolarHBondContact NH2-OD1 3.12Å; P68-D197 CarbonylContact C-O 3.57Å; P68-D197 WeakPolarHBondContact CA-O 3.5Å; V69-D197 PolarHBondContact N-O 2.9Å; Y193-D197 HydrophobicContact CD1-CB 3.99Å; Y193-D197 HydrophobicContact CG-CB 4.48Å; T194-D197 PolarHBondContact O-N 2.77Å
198	L	97.8	Very high	95.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	134	-177.1	-163.4	157.9	0	0	0	110.6	V69 V71 W126 P128 Y193 T194 F200 T240	V69-L198 WeakPolarHBondContact O-CA 3.42Å; V71-L198 HydrophobicContact CG2-CD2 4.22Å; V71-L198 HydrophobicContact CG2-CG 4.24Å; W126-L198 HydrophobicContact CH2-CD1 3.99Å; W126-L198 HydrophobicContact CZ2-CD1 4.13Å; P128-L198 HydrophobicContact CB-CD1 4Å; Y193-L198 HydrophobicContact CD2-CD1 3.71Å; Y193-L198 HydrophobicContact CG-CB 4.29Å; Y193-L198 HydrophobicContact CG-CD1 4.22Å; T194-L198 PolarHBondContact O-N 3.37Å; L198-F200 HydrophobicContact CD2-CD1 3.96Å; L198-F200 HydrophobicContact CD2-CD2 4.31Å; L198-F200 HydrophobicContact CD2-CE1 3.68Å; L198-F200 HydrophobicContact CD2-CE2 4.07Å; L198-F200 HydrophobicContact CD2-CG 4.22Å; L198-F200 HydrophobicContact CD2-CZ 3.72Å; L198-T240 HydrophobicContact CD2-CG2 3.71Å; L198-T240 WeakPolarHBondContact O-CG2 3.23Å
199	I	98.1	Very high	95.1	Very high	37 Å²	37	56.9 Å²	56.9	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.5	176.3	-60.3	176	0	0	0	108.8	P68 V69 V71 M195 E201	P68-I199 HydrophobicContact CB-CD1 4.04Å; P68-I199 HydrophobicContact CB-CG1 4.02Å; P68-I199 HydrophobicContact CG-CD1 3.7Å; P68-I199 HydrophobicContact CG-CG1 4.26Å; V69-I199 PolarHBondContact O-N 3.12Å; V71-I199 PolarHBondContact N-O 2.69Å; M195-I199 HydrophobicContact CE-CD1 4.46Å; M195-I199 HydrophobicContact CE-CG1 4.19Å; I199-E201 HydrophobicContact CG2-CG 4.07Å
200	F	98.3	Very high	95	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.2	169.5	-71.8	-47.9	0	0	0	111.2	V71 P128 L130 L198 T240 I242	V71-F200 HydrophobicContact CB-CD1 3.73Å; V71-F200 HydrophobicContact CB-CE1 3.86Å; V71-F200 HydrophobicContact CG1-CD1 3.98Å; V71-F200 HydrophobicContact CG1-CE1 3.84Å; V71-F200 HydrophobicContact CG2-CE1 4.35Å; V71-F200 WeakPolarHBondContact O-CA 3.15Å; P128-F200 HydrophobicContact CB-CE1 4.41Å; L130-F200 HydrophobicContact CB-CE1 4.38Å; L130-F200 HydrophobicContact CB-CE2 4.3Å; L130-F200 HydrophobicContact CB-CZ 3.69Å; L130-F200 HydrophobicContact CD1-CD1 4.44Å; L130-F200 HydrophobicContact CD1-CE1 3.89Å; L130-F200 HydrophobicContact CD1-CE2 4.2Å; L130-F200 HydrophobicContact CD1-CZ 3.78Å; L130-F200 HydrophobicContact CG-CE1 4.44Å; L130-F200 HydrophobicContact CG-CE2 4.08Å; L130-F200 HydrophobicContact CG-CZ 3.83Å; L198-F200 HydrophobicContact CD2-CD1 3.96Å; L198-F200 HydrophobicContact CD2-CD2 4.31Å; L198-F200 HydrophobicContact CD2-CE1 3.68Å; L198-F200 HydrophobicContact CD2-CE2 4.07Å; L198-F200 HydrophobicContact CD2-CG 4.22Å; L198-F200 HydrophobicContact CD2-CZ 3.72Å; F200-T240 HydrophobicContact CB-CG2 4.3Å; F200-T240 HydrophobicContact CD2-CG2 3.55Å; F200-T240 HydrophobicContact CE2-CG2 4.06Å; F200-T240 HydrophobicContact CG-CG2 4.03Å; F200-T240 PolarHBondContact N-OG1 3.19Å; F200-I242 HydrophobicContact CB-CD1 4Å; F200-I242 HydrophobicContact CB-CG1 4.05Å; F200-I242 HydrophobicContact CB-CG2 3.97Å; F200-I242 VanDerWaalsContact O-CG2 3.31Å; F200-I242 WeakPolarHBondContact O-CG2 3.35Å
201	E	97.4	Very high	94.9	Very high	68 Å²	68	59.7 Å²	59.7	32%	0.318	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.7	177	-63.6	-179	150.6	0	0	109.8	V71 T72 C73 I199	V71-E201 PolarHBondContact O-N 2.95Å; T72-E201 CarbonylContact C-O 3.58Å; T72-E201 WeakPolarHBondContact CA-O 3.33Å; C73-E201 PolarHBondContact N-O 2.72Å; I199-E201 HydrophobicContact CG2-CG 4.07Å
202	W	97.2	Very high	94.8	Very high	20 Å²	20	60.4 Å²	60.4	8%	0.076	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	141.6	172.6	-76.2	121.1	0	0	0	110.6	C73 I75 L188 E204 A207 L227 I242 E243 A244	C73-W202 HydrophobicContact CB-CE3 4.37Å; C73-W202 HydrophobicContact CB-CZ3 4.41Å; I75-W202 HydrophobicContact CD1-CH2 4.42Å; I75-W202 HydrophobicContact CG1-CZ3 4.41Å; I75-W202 HydrophobicContact CG2-CZ3 4.43Å; L188-W202 HydrophobicContact CD1-CH2 3.86Å; L188-W202 HydrophobicContact CD1-CZ2 4.22Å; W202-E204 PolarHBondContact O-N 2.9Å; W202-A207 HydrophobicContact CB-CB 3.92Å; W202-A207 HydrophobicContact CD2-CB 4.12Å; W202-A207 HydrophobicContact CE3-CB 3.74Å; W202-A207 HydrophobicContact CG-CB 4.24Å; W202-L227 HydrophobicContact CB-CD1 4.45Å; W202-L227 HydrophobicContact CD2-CD2 4.22Å; W202-L227 HydrophobicContact CG-CB 4.41Å; W202-L227 HydrophobicContact CG-CD1 4.37Å; W202-L227 HydrophobicContact CG-CD2 4.42Å; W202-L227 HydrophobicContact CZ2-CD2 4.46Å; W202-I242 HydrophobicContact CD2-CD1 3.88Å; W202-I242 HydrophobicContact CE3-CD1 4.02Å; W202-I242 HydrophobicContact CG-CD1 4.46Å; W202-I242 HydrophobicContact CH2-CD1 4.14Å; W202-I242 HydrophobicContact CZ2-CB 4.18Å; W202-I242 HydrophobicContact CZ2-CD1 3.99Å; W202-I242 HydrophobicContact CZ2-CG1 4.07Å; W202-I242 HydrophobicContact CZ3-CD1 4.16Å; W202-E243 PolarHBondContact NE1-O 3.47Å; W202-A244 HydrophobicContact CH2-CB 4.11Å; W202-A244 HydrophobicContact CZ2-CB 3.82Å
203	D	95.2	Very high	94.6	Very high	32 Å²	32	61.4 Å²	61.4	17%	0.171	34%	0.335	C	S	.	.			trans	-64.1	119.3	172.6	-167.2	-21.6	0	0	0	111.1	T72 C73 N74 K205 A207	T72-D203 HydrophobicContact CG2-CB 3.87Å; C73-D203 PolarHBondContact O-N 3.38Å; N74-D203 HydrophobicContact CB-CB 3.84Å; N74-D203 PolarHBondContact ND2-OD2 3.08Å; D203-K205 PolarHBondContact O-N 2.99Å; D203-K205 VanDerWaalsContact O-N 3.15Å; D203-K205 PolarHBondContact OD1-N 2.86Å; D203-A207 WeakPolarHBondContact O-CB 3.38Å; D203-A207 PolarHBondContact O-N 3.43Å; D203-A207 VanDerWaalsContact O-N 3.1Å
204	E	90.7	Very high	94.4	Very high	195 Å²	195	61 Å²	61	91%	0.911	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.5	176.8	-63	-174.5	164.9	0	0	111.9	W202 G206	W202-E204 PolarHBondContact O-N 2.9Å; E204-G206 VanDerWaalsContact C-N 3.32Å; E204-G206 PolarHBondContact O-N 2.93Å; E204-G206 VanDerWaalsContact O-N 3.15Å
205	K	88.3	Confident	94.2	Very high	181 Å²	181	65.2 Å²	65.2	79%	0.787	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	62.5	-176.5	-66.7	-177.4	-177.9	174.7	0	111.6	D203	D203-K205 PolarHBondContact O-N 2.99Å; D203-K205 VanDerWaalsContact O-N 3.15Å; D203-K205 PolarHBondContact OD1-N 2.86Å
206	G	85.6	Confident	94.2	Very high	39 Å²	39	63.6 Å²	63.6	40%	0.402	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	63.1	173.4	0	0	0	0	0	112.7	E204 V208 Q209	E204-G206 VanDerWaalsContact C-N 3.32Å; E204-G206 PolarHBondContact O-N 2.93Å; E204-G206 VanDerWaalsContact O-N 3.15Å; G206-V208 PolarHBondContact O-N 2.9Å; G206-V208 VanDerWaalsContact O-N 3.11Å; G206-Q209 PolarHBondContact O-NE2 3.07Å; G206-Q209 VanDerWaalsContact O-NE2 3.09Å
207	A	92.1	Very high	94	Very high	4 Å²	4	63.1 Å²	63.1	3%	0.033	36%	0.359	C	S	.	.	S	Bend	trans	-46.3	-33.9	173.7	0	0	0	0	0	115.3	N74 I75 W202 D203 L227	N74-A207 CarbonylContact C-O 3.6Å; N74-A207 WeakPolarHBondContact CA-O 3.42Å; I75-A207 PolarHBondContact N-O 2.93Å; W202-A207 HydrophobicContact CB-CB 3.92Å; W202-A207 HydrophobicContact CD2-CB 4.12Å; W202-A207 HydrophobicContact CE3-CB 3.74Å; W202-A207 HydrophobicContact CG-CB 4.24Å; D203-A207 WeakPolarHBondContact O-CB 3.38Å; D203-A207 PolarHBondContact O-N 3.43Å; D203-A207 VanDerWaalsContact O-N 3.1Å; A207-L227 HydrophobicContact CB-CD1 3.64Å; A207-L227 HydrophobicContact CB-CD2 4.42Å
208	V	95.1	Very high	93.8	Very high	22 Å²	22	64.6 Å²	64.6	13%	0.133	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	102.7	-178.1	-178.9	0	0	0	0	109.8	I75 I77 G206 K225 L227 A244 F246	I75-V208 HydrophobicContact CD1-CG1 4.32Å; I75-V208 HydrophobicContact CD1-CG2 3.98Å; I75-V208 HydrophobicContact CG1-CB 4.29Å; I75-V208 HydrophobicContact CG1-CG1 4.25Å; I75-V208 HydrophobicContact CG1-CG2 3.85Å; I77-V208 HydrophobicContact CD1-CG1 4.18Å; G206-V208 PolarHBondContact O-N 2.9Å; G206-V208 VanDerWaalsContact O-N 3.11Å; V208-K225 HydrophobicContact CG1-CD 4.19Å; V208-K225 HydrophobicContact CG1-CG 4.26Å; V208-L227 HydrophobicContact CG2-CD2 3.66Å; V208-A244 HydrophobicContact CG2-CB 4.19Å; V208-F246 HydrophobicContact CG1-CE1 3.97Å
209	Q	94.9	Very high	93.7	Very high	65 Å²	65	64.8 Å²	64.8	30%	0.304	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	148.9	174.8	-66.2	155.4	25.2	0	0	109.4	I75 F76 I77 G206	I75-Q209 PolarHBondContact O-N 2.88Å; F76-Q209 WeakPolarHBondContact CA-O 3.16Å; F76-Q209 HydrophobicContact CB-CB 4.35Å; F76-Q209 HydrophobicContact CD2-CB 3.59Å; F76-Q209 HydrophobicContact CE2-CB 4.36Å; F76-Q209 HydrophobicContact CG-CB 4.38Å; I77-Q209 PolarHBondContact N-O 3.02Å; G206-Q209 PolarHBondContact O-NE2 3.07Å; G206-Q209 VanDerWaalsContact O-NE2 3.09Å
210	V	95.5	Very high	93.5	Very high	41 Å²	41	67.2 Å²	67.2	25%	0.248	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	139.1	-179.7	-174.9	0	0	0	0	108.1	I77 L214 L221	I77-V210 HydrophobicContact CD1-CG2 4.41Å; V210-L214 HydrophobicContact CG1-CB 4.04Å; V210-L214 HydrophobicContact CG1-CD2 3.45Å; V210-L214 VanDerWaalsContact CG1-CD2 3.45Å; V210-L214 HydrophobicContact CG1-CG 4.36Å; V210-L221 HydrophobicContact CG1-CD2 4.5Å
211	A	94.6	Very high	93.3	Very high	21 Å²	21	69 Å²	69	17%	0.174	39%	0.387	C	S	.	.			trans	-63.6	138	177.5	0	0	0	0	0	112.3	F76 I77 G213 L214	F76-A211 HydrophobicContact CE1-CB 4.06Å; F76-A211 HydrophobicContact CZ-CB 3.79Å; I77-A211 WeakPolarHBondContact O-CB 3.29Å; I77-A211 PolarHBondContact O-N 3.34Å; A211-G213 PolarHBondContact O-N 3.38Å; A211-L214 VanDerWaalsContact O-CB 3.27Å; A211-L214 WeakPolarHBondContact O-CB 3.41Å; A211-L214 PolarHBondContact O-N 2.89Å; A211-L214 VanDerWaalsContact O-N 3.16Å
212	D	91.9	Very high	93.1	Very high	171 Å²	171	67.4 Å²	67.4	91%	0.914	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	135	176.4	-65.1	-43.9	0	0	0	111.1	L214	D212-L214 VanDerWaalsContact C-N 3.27Å; D212-L214 PolarHBondContact O-N 3.1Å
213	G	90.4	Very high	92.7	Very high	72 Å²	72	75 Å²	75	74%	0.742	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	9.6	-177.8	0	0	0	0	0	115.3	A211 T215	A211-G213 PolarHBondContact O-N 3.38Å; G213-T215 PolarHBondContact O-N 3.07Å; G213-T215 VanDerWaalsContact O-N 3.08Å
214	L	93.4	Very high	92.2	Very high	49 Å²	49	80.8 Å²	80.8	26%	0.257	44%	0.441	S	S	.	.			trans	-61.4	112.8	172.1	-178.7	67.1	0	0	0	110.6	I77 F80 V210 A211 D212	I77-L214 HydrophobicContact CG2-CD2 3.93Å; F80-L214 HydrophobicContact CB-CD2 3.97Å; V210-L214 HydrophobicContact CG1-CB 4.04Å; V210-L214 HydrophobicContact CG1-CD2 3.45Å; V210-L214 VanDerWaalsContact CG1-CD2 3.45Å; V210-L214 HydrophobicContact CG1-CG 4.36Å; A211-L214 VanDerWaalsContact O-CB 3.27Å; A211-L214 WeakPolarHBondContact O-CB 3.41Å; A211-L214 PolarHBondContact O-N 2.89Å; A211-L214 VanDerWaalsContact O-N 3.16Å; D212-L214 VanDerWaalsContact C-N 3.27Å; D212-L214 PolarHBondContact O-N 3.1Å
215	T	93	Very high	92.1	Very high	121 Å²	121	74.4 Å²	74.4	74%	0.742	41%	0.41	S	S	*	.			trans	-121.6	144.8	177.6	52.1	0	0	0	0	111	G213	G213-T215 PolarHBondContact O-N 3.07Å; G213-T215 VanDerWaalsContact O-N 3.08Å
216	L	94.8	Very high	92.3	Very high	19 Å²	19	68 Å²	68	10%	0.099	39%	0.385	C	S	.	.			trans	-109.9	139.7	175.8	-66.9	173.5	0	0	0	109.3	F80 I83 F219 L221 L248	F80-L216 HydrophobicContact CB-CD2 4.21Å; F80-L216 HydrophobicContact CD1-CD1 3.96Å; F80-L216 HydrophobicContact CD1-CD2 3.93Å; F80-L216 HydrophobicContact CE1-CD1 4.43Å; F80-L216 WeakPolarHBondContact O-CD2 3.35Å; I83-L216 HydrophobicContact CD1-CD1 4.45Å; L216-F219 HydrophobicContact CB-CB 4.36Å; L216-F219 VanDerWaalsContact CB-O 3.31Å; L216-F219 WeakPolarHBondContact CB-O 3.25Å; L216-F219 HydrophobicContact CD1-CB 4.15Å; L216-L221 HydrophobicContact CD1-CB 4.28Å; L216-L248 HydrophobicContact CD1-CD2 3.77Å
217	P	92.1	Very high	92.8	Very high	117 Å²	117	69.9 Å²	69.9	76%	0.76	39%	0.385	S	S	*	.	S	Bend	trans	-80.2	-15.6	-173.3	30.8	-36.6	0	0	0	114.7
218	Q	93.1	Very high	92.9	Very high	83 Å²	83	75 Å²	75	39%	0.388	40%	0.404	S	S	.	.	S	Bend	trans	-125.8	-14	-176.2	-71.8	176.6	-25.7	0	0	113.5	Q251	Q218-Q251 PolarHBondContact O-N 2.93Å
219	F	95.6	Very high	92.9	Very high	3 Å²	3	80.8 Å²	80.8	1%	0.013	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	165.6	-172.9	-68.4	-91.2	0	0	0	109.9	I83 Q182 L216 L248 E249 R250	I83-F219 HydrophobicContact CB-CE2 4.14Å; I83-F219 HydrophobicContact CD1-CB 4.42Å; I83-F219 HydrophobicContact CD1-CD2 3.43Å; I83-F219 VanDerWaalsContact CD1-CD2 3.43Å; I83-F219 HydrophobicContact CD1-CE2 3.79Å; I83-F219 HydrophobicContact CD1-CG 4.01Å; I83-F219 HydrophobicContact CG2-CE2 3.91Å; I83-F219 HydrophobicContact CG2-CZ 4.21Å; Q182-F219 HydrophobicContact CG-CE1 4.41Å; L216-F219 HydrophobicContact CB-CB 4.36Å; L216-F219 VanDerWaalsContact CB-O 3.31Å; L216-F219 WeakPolarHBondContact CB-O 3.25Å; L216-F219 HydrophobicContact CD1-CB 4.15Å; F219-L248 HydrophobicContact CB-CB 4.47Å; F219-L248 HydrophobicContact CD1-CB 3.91Å; F219-L248 HydrophobicContact CG-CB 4.41Å; F219-E249 CarbonylContact C-O 3.57Å; F219-E249 VanDerWaalsContact CA-O 3.22Å; F219-E249 WeakPolarHBondContact CA-O 3.38Å; F219-R250 HydrophobicContact CD1-CB 4.15Å; F219-R250 HydrophobicContact CE1-CB 4.03Å; F219-R250 HydrophobicContact CE1-CG 4.24Å
220	I	94.8	Very high	92.9	Very high	88 Å²	88	78.6 Å²	78.6	45%	0.451	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.9	166.9	-59.7	173	0	0	0	105.9	L248 E249 Q251	I220-L248 WeakPolarHBondContact O-CA 3.22Å; I220-E249 PolarHBondContact N-O 2.96Å; I220-E249 PolarHBondContact O-N 3.3Å; I220-Q251 HydrophobicContact CD1-CG 4.16Å; I220-Q251 HydrophobicContact CG1-CG 3.88Å
221	L	94.5	Very high	93	Very high	37 Å²	37	79.3 Å²	79.3	19%	0.194	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.6	171.6	178.1	63.5	0	0	0	107.8	V210 L216 F246 L248	V210-L221 HydrophobicContact CG1-CD2 4.5Å; L216-L221 HydrophobicContact CD1-CB 4.28Å; L221-F246 HydrophobicContact CD1-CB 3.92Å; L221-F246 HydrophobicContact CD1-CD1 4.26Å; L221-L248 HydrophobicContact CB-CD2 4.27Å; L221-L248 HydrophobicContact CD1-CD2 3.83Å
222	K	92.8	Very high	93	Very high	36 Å²	36	80.7 Å²	80.7	16%	0.157	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	151.9	175.3	-68.3	-168.8	-179.4	174.5	0	111	H247	K222-H247 HydrophobicContact CB-CB 4.15Å; K222-H247 HydrophobicContact CD-CB 3.81Å; K222-H247 HydrophobicContact CG-CB 4.07Å; K222-H247 PolarHBondContact N-O 3.33Å
223	E	88.4	Confident	93.2	Very high	180 Å²	180	78.7 Å²	78.7	84%	0.841	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	-33.1	178.3	-68	-175.6	-177.9	0	0	112.6	K225	E223-K225 VanDerWaalsContact O-CD 3.31Å; E223-K225 WeakPolarHBondContact O-CD 3.44Å; E223-K225 WeakPolarHBondContact O-CE 3.15Å; E223-K225 PolarHBondContact O-NZ 3.42Å
224	E	85.4	Confident	93.4	Very high	152 Å²	152	80.9 Å²	80.9	71%	0.71	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.1	174.9	-65.7	168.2	170.2	0	0	110.5
225	K	88.7	Confident	93.5	Very high	61 Å²	61	87.2 Å²	87.2	27%	0.265	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125	172.6	-60.1	97	-168.5	169.7	0	109	V208 E223 F246	V208-K225 HydrophobicContact CG1-CD 4.19Å; V208-K225 HydrophobicContact CG1-CG 4.26Å; E223-K225 VanDerWaalsContact O-CD 3.31Å; E223-K225 WeakPolarHBondContact O-CD 3.44Å; E223-K225 WeakPolarHBondContact O-CE 3.15Å; E223-K225 PolarHBondContact O-NZ 3.42Å; K225-F246 HydrophobicContact CG-CD1 4.24Å; K225-F246 HydrophobicContact CG-CE1 4.43Å
226	D	92.6	Very high	93.6	Very high	48 Å²	48	87 Å²	87	26%	0.257	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.8	172.4	-90.4	1.6	0	0	0	110.9	R228 A244 R245	D226-R228 IonicContact OD2-CZ 3.19Å; D226-R228 IonicContact OD2-NE 3.39Å; D226-R228 PolarHBondContact OD2-NE 3.17Å; D226-R228 IonicContact OD2-NH2 2.75Å; D226-R228 PolarHBondContact OD2-NH2 3.5Å; D226-A244 CarbonylContact O-C 3.58Å; D226-A244 WeakPolarHBondContact O-CA 3.28Å; D226-R245 HydrophobicContact CB-CB 3.91Å; D226-R245 HydrophobicContact CB-CG 3.81Å; D226-R245 PolarHBondContact O-N 2.93Å
227	L	95.1	Very high	93.7	Very high	77 Å²	77	87.1 Å²	87.1	40%	0.403	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.1	170.5	-56.4	177.5	0	0	0	108.2	W202 A207 V208 A244	W202-L227 HydrophobicContact CB-CD1 4.45Å; W202-L227 HydrophobicContact CD2-CD2 4.22Å; W202-L227 HydrophobicContact CG-CB 4.41Å; W202-L227 HydrophobicContact CG-CD1 4.37Å; W202-L227 HydrophobicContact CG-CD2 4.42Å; W202-L227 HydrophobicContact CZ2-CD2 4.46Å; A207-L227 HydrophobicContact CB-CD1 3.64Å; A207-L227 HydrophobicContact CB-CD2 4.42Å; V208-L227 HydrophobicContact CG2-CD2 3.66Å; L227-A244 HydrophobicContact CD2-CB 4.09Å
228	R	94.4	Very high	93.9	Very high	112 Å²	112	87.2 Å²	87.2	42%	0.423	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.2	-178.4	-54	-175.5	-174.2	-150.5	-0.4	110.5	D226 E243	D226-R228 IonicContact OD2-CZ 3.19Å; D226-R228 IonicContact OD2-NE 3.39Å; D226-R228 PolarHBondContact OD2-NE 3.17Å; D226-R228 IonicContact OD2-NH2 2.75Å; D226-R228 PolarHBondContact OD2-NH2 3.5Å; R228-E243 HydrophobicContact CB-CG 3.8Å; R228-E243 PolarHBondContact N-O 3.07Å; R228-E243 WeakPolarHBondContact O-CG 3.5Å; R228-E243 PolarHBondContact O-N 2.83Å
229	Y	95.5	Very high	94.1	Very high	144 Å²	144	83.9 Å²	83.9	57%	0.565	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	138.8	171	-63.1	-86.8	0	0	0	109.3	I242	Y229-I242 HydrophobicContact CD1-CG2 3.71Å; Y229-I242 HydrophobicContact CE1-CG2 3.82Å
230	C	95.4	Very high	94.2	Very high	19 Å²	19	84 Å²	84	13%	0.128	41%	0.406	C	S	.	.			trans	-128.4	25.9	-170	50.5	0	0	0	0	113.8	K232 C241 I242 E243	C230-K232 WeakPolarHBondContact O-CD 3.15Å; C230-K232 WeakPolarHBondContact O-CE 3.27Å; C230-K232 PolarHBondContact O-N 2.7Å; C230-C241 VanDerWaalsContact C-CB 3.47Å; C230-C241 HydrophobicContact CB-CB 4.02Å; C230-C241 WeakPolarHBondContact CB-SG 3.46Å; C230-C241 PolarHBondContact N-O 2.85Å; C230-C241 WeakPolarHBondContact O-CB 3.03Å; C230-C241 PolarHBondContact O-SG 2.78Å; C230-C241 VanDerWaalsContact O-SG 3.41Å; C230-C241 WeakPolarHBondContact SG-CB 3.44Å; C230-C241 PolarHBondContact SG-O 2.04Å; C230-C241 VanDerWaalsContact SG-O 3.38Å; C230-C241 CovalentContact SG-SG 2.05Å; C230-C241 PolarHBondContact SG-SG 2.91Å; C230-I242 PolarHBondContact SG-N 3.2Å; C230-I242 VanDerWaalsContact SG-N 3.37Å; C230-E243 HydrophobicContact CB-CB 4.32Å; C230-E243 HydrophobicContact CB-CG 4.13Å
231	T	96.4	Very high	94.4	Very high	56 Å²	56	79.8 Å²	79.8	34%	0.344	39%	0.385	S	S	.	.			trans	-34.8	117.4	-175.4	-52.4	0	0	0	0	113.2	M195 F239	M195-T231 HydrophobicContact CG-CG2 4.15Å; M195-T231 HydrophobicContact SD-CG2 4.16Å; T231-F239 WeakPolarHBondContact CG2-O 3.05Å
232	K	94.1	Very high	94.5	Very high	50 Å²	50	78 Å²	78	22%	0.217	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	150.7	-178.6	-53.7	-61.9	178.3	155.8	0	111.4	E189 C230 Y234 K238 F239 C241	E189-K232 VanDerWaalsContact OE1-CB 3.25Å; E189-K232 WeakPolarHBondContact OE1-CB 3.47Å; E189-K232 WeakPolarHBondContact OE1-CG 3.44Å; E189-K232 VanDerWaalsContact OE2-CG 3.27Å; E189-K232 WeakPolarHBondContact OE2-CG 3.45Å; C230-K232 WeakPolarHBondContact O-CD 3.15Å; C230-K232 WeakPolarHBondContact O-CE 3.27Å; C230-K232 PolarHBondContact O-N 2.7Å; K232-Y234 HydrophobicContact CB-CD2 4.32Å; K232-Y234 HydrophobicContact CB-CE2 3.68Å; K232-Y234 HydrophobicContact CG-CE2 4.31Å; K232-K238 WeakPolarHBondContact O-CA 3.33Å; K232-F239 PolarHBondContact N-O 2.75Å; K232-F239 VanDerWaalsContact N-O 3.15Å; K232-F239 PolarHBondContact O-N 3.41Å; K232-C241 VanDerWaalsContact CE-SG 3.52Å; K232-C241 HydrophobicContact CG-CB 4.35Å
233	H	96.6	Very high	94.7	Very high	129 Å²	129	76.7 Å²	76.7	60%	0.597	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	109.2	178.7	-72.7	-124.2	0	0	0	108.4	K238	H233-K238 VanDerWaalsContact CE1-CE 3.46Å; H233-K238 WeakPolarHBondContact CE1-CE 3.05Å
234	Y	95.1	Very high	95.1	Very high	118 Å²	118	68.1 Å²	68.1	46%	0.463	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	167.6	174.9	-58.8	-59.2	0	0	0	110.4	E189 K232 T236 G237 F239	E189-Y234 WeakPolarHBondContact OE1-CE2 3.3Å; K232-Y234 HydrophobicContact CB-CD2 4.32Å; K232-Y234 HydrophobicContact CB-CE2 3.68Å; K232-Y234 HydrophobicContact CG-CE2 4.31Å; Y234-T236 PolarHBondContact O-N 3.23Å; Y234-T236 VanDerWaalsContact O-N 3.15Å; Y234-G237 PolarHBondContact N-O 3.03Å; Y234-G237 PolarHBondContact O-N 3.15Å; Y234-G237 VanDerWaalsContact O-N 3.07Å; Y234-G237 VanDerWaalsContact O-O 3.05Å; Y234-F239 AromaticContact CD2-CD2 3.63Å; Y234-F239 HydrophobicContact CD2-CD2 3.63Å; Y234-F239 AromaticContact CD2-CE2 3.99Å; Y234-F239 HydrophobicContact CD2-CE2 3.99Å; Y234-F239 HydrophobicContact CD2-CG 4.45Å; Y234-F239 HydrophobicContact CE2-CD2 4.32Å
235	N	95.6	Very high	95.6	Very high	182 Å²	182	64.2 Å²	64.2	97%	0.973	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.4	176.6	-62.6	-3.3	0	0	0	112.7
236	T	94.9	Very high	96	Very high	115 Å²	115	61.3 Å²	61.3	71%	0.706	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.2	176.8	45.3	0	0	0	0	113.7	Y234 F239	Y234-T236 PolarHBondContact O-N 3.23Å; Y234-T236 VanDerWaalsContact O-N 3.15Å; T236-F239 WeakPolarHBondContact OG1-CE2 3.19Å
237	G	95.6	Very high	96.1	Very high	23 Å²	23	59.7 Å²	59.7	24%	0.237	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.7	-172.4	-176.4	0	0	0	0	0	114.6	Y234	Y234-G237 PolarHBondContact N-O 3.03Å; Y234-G237 PolarHBondContact O-N 3.15Å; Y234-G237 VanDerWaalsContact O-N 3.07Å; Y234-G237 VanDerWaalsContact O-O 3.05Å
238	K	97.3	Very high	96.1	Very high	119 Å²	119	56 Å²	56	52%	0.517	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130	170.8	-60.9	-176.5	-171.7	-178.3	0	109.4	T194 M195 K232 H233	T194-K238 WeakPolarHBondContact CA-O 3.48Å; T194-K238 WeakPolarHBondContact CB-O 3.29Å; M195-K238 HydrophobicContact CG-CB 4.11Å; M195-K238 PolarHBondContact N-O 3.15Å; K232-K238 WeakPolarHBondContact O-CA 3.33Å; H233-K238 VanDerWaalsContact CE1-CE 3.46Å; H233-K238 WeakPolarHBondContact CE1-CE 3.05Å
239	F	97.8	Very high	96.1	Very high	13 Å²	13	52.6 Å²	52.6	6%	0.057	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.7	-175.1	-66.2	-95.5	0	0	0	110.5	E189 S190 F191 Y193 T194 T231 K232 Y234 T236	E189-F239 HydrophobicContact CG-CB 4.4Å; S190-F239 VanDerWaalsContact O-CD1 3.29Å; S190-F239 WeakPolarHBondContact O-CD1 3.31Å; F191-F239 WeakPolarHBondContact O-CE1 3.29Å; Y193-F239 VanDerWaalsContact O-CD1 3.28Å; Y193-F239 WeakPolarHBondContact O-CD1 3.38Å; T194-F239 HydrophobicContact CG2-CE1 4.38Å; T194-F239 HydrophobicContact CG2-CZ 4.3Å; T231-F239 WeakPolarHBondContact CG2-O 3.05Å; K232-F239 PolarHBondContact N-O 2.75Å; K232-F239 VanDerWaalsContact N-O 3.15Å; K232-F239 PolarHBondContact O-N 3.41Å; Y234-F239 AromaticContact CD2-CD2 3.63Å; Y234-F239 HydrophobicContact CD2-CD2 3.63Å; Y234-F239 AromaticContact CD2-CE2 3.99Å; Y234-F239 HydrophobicContact CD2-CE2 3.99Å; Y234-F239 HydrophobicContact CD2-CG 4.45Å; Y234-F239 HydrophobicContact CE2-CD2 4.32Å; T236-F239 WeakPolarHBondContact OG1-CE2 3.19Å
240	T	97.7	Very high	96	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.025	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.4	179.5	-174.9	0	0	0	0	110.1	E189 S190 M195 L198 F200	E189-T240 WeakPolarHBondContact CA-O 3.13Å; E189-T240 WeakPolarHBondContact CG-O 3.47Å; S190-T240 PolarHBondContact N-O 2.05Å; M195-T240 WeakPolarHBondContact SD-CA 3.21Å; M195-T240 WeakPolarHBondContact SD-CB 3.41Å; L198-T240 HydrophobicContact CD2-CG2 3.71Å; L198-T240 WeakPolarHBondContact O-CG2 3.23Å; F200-T240 HydrophobicContact CB-CG2 4.3Å; F200-T240 HydrophobicContact CD2-CG2 3.55Å; F200-T240 HydrophobicContact CE2-CG2 4.06Å; F200-T240 HydrophobicContact CG-CG2 4.03Å; F200-T240 PolarHBondContact N-OG1 3.19Å
241	C	97.8	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	130.3	-179.2	176.9	0	0	0	0	109.1	L188 E189 C230 K232	L188-C241 VanDerWaalsContact O-CA 3.28Å; L188-C241 WeakPolarHBondContact O-CA 3.47Å; E189-C241 HydrophobicContact CB-CB 4.35Å; E189-C241 HydrophobicContact CG-CB 4.26Å; C230-C241 VanDerWaalsContact C-CB 3.47Å; C230-C241 HydrophobicContact CB-CB 4.02Å; C230-C241 WeakPolarHBondContact CB-SG 3.46Å; C230-C241 PolarHBondContact N-O 2.85Å; C230-C241 WeakPolarHBondContact O-CB 3.03Å; C230-C241 PolarHBondContact O-SG 2.78Å; C230-C241 VanDerWaalsContact O-SG 3.41Å; C230-C241 WeakPolarHBondContact SG-CB 3.44Å; C230-C241 PolarHBondContact SG-O 2.04Å; C230-C241 VanDerWaalsContact SG-O 3.38Å; C230-C241 CovalentContact SG-SG 2.05Å; C230-C241 PolarHBondContact SG-SG 2.91Å; K232-C241 VanDerWaalsContact CE-SG 3.52Å; K232-C241 HydrophobicContact CG-CB 4.35Å
242	I	97.5	Very high	95.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.8	171.3	56.5	172.5	0	0	0	109.6	C73 L188 F200 W202 Y229 C230	C73-I242 HydrophobicContact CB-CD1 3.7Å; L188-I242 HydrophobicContact CB-CG1 3.97Å; L188-I242 PolarHBondContact N-O 3.3Å; L188-I242 PolarHBondContact O-N 2.96Å; F200-I242 HydrophobicContact CB-CD1 4Å; F200-I242 HydrophobicContact CB-CG1 4.05Å; F200-I242 HydrophobicContact CB-CG2 3.97Å; F200-I242 VanDerWaalsContact O-CG2 3.31Å; F200-I242 WeakPolarHBondContact O-CG2 3.35Å; W202-I242 HydrophobicContact CD2-CD1 3.88Å; W202-I242 HydrophobicContact CE3-CD1 4.02Å; W202-I242 HydrophobicContact CG-CD1 4.46Å; W202-I242 HydrophobicContact CH2-CD1 4.14Å; W202-I242 HydrophobicContact CZ2-CB 4.18Å; W202-I242 HydrophobicContact CZ2-CD1 3.99Å; W202-I242 HydrophobicContact CZ2-CG1 4.07Å; W202-I242 HydrophobicContact CZ3-CD1 4.16Å; Y229-I242 HydrophobicContact CD1-CG2 3.71Å; Y229-I242 HydrophobicContact CE1-CG2 3.82Å; C230-I242 PolarHBondContact SG-N 3.2Å; C230-I242 VanDerWaalsContact SG-N 3.37Å
243	E	96.7	Very high	95.9	Very high	9 Å²	9	47.2 Å²	47.2	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.8	178.3	67.4	170.7	-147.4	0	0	112.7	M186 Q187 W202 R228 C230 R245	M186-E243 VanDerWaalsContact O-CA 3.27Å; M186-E243 WeakPolarHBondContact O-CA 3.22Å; Q187-E243 HydrophobicContact CG-CB 3.93Å; Q187-E243 PolarHBondContact NE2-OE2 3.02Å; W202-E243 PolarHBondContact NE1-O 3.47Å; R228-E243 HydrophobicContact CB-CG 3.8Å; R228-E243 PolarHBondContact N-O 3.07Å; R228-E243 WeakPolarHBondContact O-CG 3.5Å; R228-E243 PolarHBondContact O-N 2.83Å; C230-E243 HydrophobicContact CB-CB 4.32Å; C230-E243 HydrophobicContact CB-CG 4.13Å; E243-R245 IonicContact OE1-CZ 3.7Å; E243-R245 IonicContact OE1-NE 3.29Å; E243-R245 PolarHBondContact OE1-NE 2.82Å; E243-R245 IonicContact OE1-NH2 3.66Å; E243-R245 PolarHBondContact OE1-NH2 3.16Å; E243-R245 IonicContact OE2-NH2 2.68Å
244	A	96.9	Very high	95.8	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.5	167.5	0	0	0	0	0	108.8	I185 M186 W202 V208 D226 L227 F246	I185-A244 WeakPolarHBondContact CA-O 3.35Å; M186-A244 PolarHBondContact N-O 3.01Å; M186-A244 PolarHBondContact O-N 2.88Å; W202-A244 HydrophobicContact CH2-CB 4.11Å; W202-A244 HydrophobicContact CZ2-CB 3.82Å; V208-A244 HydrophobicContact CG2-CB 4.19Å; D226-A244 CarbonylContact O-C 3.58Å; D226-A244 WeakPolarHBondContact O-CA 3.28Å; L227-A244 HydrophobicContact CD2-CB 4.09Å; A244-F246 HydrophobicContact CB-CZ 4.16Å
245	R	96.3	Very high	95.7	Very high	69 Å²	69	41.9 Å²	41.9	26%	0.26	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.1	177.3	-38.5	-174.5	157.2	-143	-8.9	110.9	T183 I185 D226 E243	T183-R245 HydrophobicContact CG2-CB 3.89Å; I185-R245 HydrophobicContact CG2-CB 4.29Å; I185-R245 HydrophobicContact CG2-CG 3.97Å; D226-R245 HydrophobicContact CB-CB 3.91Å; D226-R245 HydrophobicContact CB-CG 3.81Å; D226-R245 PolarHBondContact O-N 2.93Å; E243-R245 IonicContact OE1-CZ 3.7Å; E243-R245 IonicContact OE1-NE 3.29Å; E243-R245 PolarHBondContact OE1-NE 2.82Å; E243-R245 IonicContact OE1-NH2 3.66Å; E243-R245 PolarHBondContact OE1-NH2 3.16Å; E243-R245 IonicContact OE2-NH2 2.68Å
246	F	95.9	Very high	95.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.7	179	-55.5	-67.2	0	0	0	109.3	I75 I77 F80 T183 C184 M186 V208 L221 K225 A244	I75-F246 HydrophobicContact CD1-CZ 4.19Å; I77-F246 HydrophobicContact CD1-CD1 4.25Å; I77-F246 HydrophobicContact CD1-CE1 3.43Å; I77-F246 VanDerWaalsContact CD1-CE1 3.43Å; I77-F246 HydrophobicContact CD1-CZ 3.73Å; F80-F246 HydrophobicContact CE2-CB 4.36Å; F80-F246 HydrophobicContact CE2-CD2 4.03Å; F80-F246 HydrophobicContact CE2-CG 4.04Å; F80-F246 HydrophobicContact CZ-CB 4.39Å; T183-F246 WeakPolarHBondContact CA-O 3.09Å; C184-F246 PolarHBondContact N-O 2.87Å; C184-F246 WeakPolarHBondContact O-CD2 3.34Å; C184-F246 PolarHBondContact O-N 3.37Å; M186-F246 HydrophobicContact CB-CE2 3.95Å; M186-F246 HydrophobicContact CE-CE2 4.18Å; M186-F246 HydrophobicContact CE-CZ 4.45Å; V208-F246 HydrophobicContact CG1-CE1 3.97Å; L221-F246 HydrophobicContact CD1-CB 3.92Å; L221-F246 HydrophobicContact CD1-CD1 4.26Å; K225-F246 HydrophobicContact CG-CD1 4.24Å; K225-F246 HydrophobicContact CG-CE1 4.43Å; A244-F246 HydrophobicContact CB-CZ 4.16Å
247	H	95.1	Very high	95.7	Very high	14 Å²	14	37 Å²	37	7%	0.065	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.8	175.7	-56.1	-79.6	0	0	0	109.4	Q182 T183 K222	Q182-H247 WeakPolarHBondContact O-CA 3.33Å; T183-H247 PolarHBondContact OG1-ND1 2.63Å; T183-H247 VanDerWaalsContact OG1-ND1 3.09Å; K222-H247 HydrophobicContact CB-CB 4.15Å; K222-H247 HydrophobicContact CD-CB 3.81Å; K222-H247 HydrophobicContact CG-CB 4.07Å; K222-H247 PolarHBondContact N-O 3.33Å
248	L	95.2	Very high	95.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	108.7	-173.7	-64.9	169.6	0	0	0	109.2	F80 I83 V181 Q182 C184 L216 F219 I220 L221	F80-L248 HydrophobicContact CE1-CD1 3.89Å; F80-L248 HydrophobicContact CE1-CD2 3.89Å; F80-L248 HydrophobicContact CZ-CD1 4.01Å; F80-L248 HydrophobicContact CZ-CD2 4.18Å; I83-L248 HydrophobicContact CD1-CD1 4.01Å; V181-L248 WeakPolarHBondContact CA-O 3.33Å; Q182-L248 HydrophobicContact CB-CB 4.4Å; Q182-L248 PolarHBondContact N-O 2.94Å; Q182-L248 PolarHBondContact O-N 3.49Å; C184-L248 HydrophobicContact CB-CD1 4.16Å; L216-L248 HydrophobicContact CD1-CD2 3.77Å; F219-L248 HydrophobicContact CB-CB 4.47Å; F219-L248 HydrophobicContact CD1-CB 3.91Å; F219-L248 HydrophobicContact CG-CB 4.41Å; I220-L248 WeakPolarHBondContact O-CA 3.22Å; L221-L248 HydrophobicContact CB-CD2 4.27Å; L221-L248 HydrophobicContact CD1-CD2 3.83Å
249	E	93.9	Very high	95.4	Very high	40 Å²	40	36.1 Å²	36.1	19%	0.187	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.6	-179.2	-179.7	167.5	174.1	0	0	110.7	V181 F219 I220 R444	V181-E249 HydrophobicContact CG2-CB 4.41Å; V181-E249 HydrophobicContact CG2-CG 4.23Å; F219-E249 CarbonylContact C-O 3.57Å; F219-E249 VanDerWaalsContact CA-O 3.22Å; F219-E249 WeakPolarHBondContact CA-O 3.38Å; I220-E249 PolarHBondContact N-O 2.96Å; I220-E249 PolarHBondContact O-N 3.3Å; E249-R444 IonicContact OE1-CZ 2.84Å; E249-R444 IonicContact OE1-NE 2.87Å; E249-R444 IonicContact OE1-NH2 3.12Å; E249-R444 PolarHBondContact OE1-NH2 3.02Å
250	R	95.2	Very high	95.3	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.6	-175.3	-167.3	-179.2	-59.8	-87.7	-2	112.4	E85 P178 D180 F219 Y255	E85-R250 IonicContact OE1-CZ 3.22Å; E85-R250 IonicContact OE1-NH1 3.04Å; E85-R250 PolarHBondContact OE1-NH1 3.2Å; E85-R250 IonicContact OE1-NH2 2.64Å; P178-R250 WeakPolarHBondContact O-CD 3.14Å; D180-R250 VanDerWaalsContact CG-NE 3.32Å; D180-R250 PolarHBondContact O-N 2.92Å; D180-R250 WeakPolarHBondContact OD1-CD 3.31Å; D180-R250 IonicContact OD1-CZ 3.6Å; D180-R250 IonicContact OD1-NE 3.57Å; D180-R250 PolarHBondContact OD1-NE 2.88Å; D180-R250 IonicContact OD1-NH2 2.68Å; D180-R250 IonicContact OD2-CZ 2.69Å; D180-R250 IonicContact OD2-NE 3.7Å; D180-R250 PolarHBondContact OD2-NE 2.94Å; D180-R250 VanDerWaalsContact OD2-NE 3.12Å; D180-R250 IonicContact OD2-NH2 2.67Å; D180-R250 PolarHBondContact OD2-NH2 3.02Å; F219-R250 HydrophobicContact CD1-CB 4.15Å; F219-R250 HydrophobicContact CE1-CB 4.03Å; F219-R250 HydrophobicContact CE1-CG 4.24Å; R250-Y255 HydrophobicContact CG-CE2 4Å; R250-Y255 PolarHBondContact NH1-OH 3.37Å
251	Q	94.4	Very high	95.3	Very high	82 Å²	82	38.8 Å²	38.8	38%	0.383	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-79.4	120.8	174.4	-67.3	-169.8	-16.1	0	0	111.7	Q218 I220	Q218-Q251 PolarHBondContact O-N 2.93Å; I220-Q251 HydrophobicContact CD1-CG 4.16Å; I220-Q251 HydrophobicContact CG1-CG 3.88Å
252	M	93.4	Very high	95.2	Very high	29 Å²	29	40.9 Å²	40.9	14%	0.143	21%	0.205	C	C	.	.			trans	-78	-22	-173.4	-79	-66.4	-69.5	0	0	115.5	P178 M179 Y254 Y255 L256 Y260 W437	P178-M252 VanDerWaalsContact C-SD 3.58Å; P178-M252 HydrophobicContact CB-SD 4.03Å; P178-M252 HydrophobicContact CG-CE 4.09Å; P178-M252 HydrophobicContact CG-SD 3.79Å; M179-M252 HydrophobicContact CB-SD 4.37Å; M179-M252 HydrophobicContact CE-CE 4.5Å; M179-M252 HydrophobicContact CG-CE 3.42Å; M179-M252 VanDerWaalsContact CG-CE 3.42Å; M179-M252 HydrophobicContact CG-CG 4.28Å; M179-M252 HydrophobicContact CG-SD 3.38Å; M179-M252 WeakPolarHBondContact CG-SD 3.38Å; M179-M252 HydrophobicContact SD-CE 3.93Å; M252-Y254 PolarHBondContact O-N 3.07Å; M252-Y255 PolarHBondContact O-N 3.15Å; M252-L256 PolarHBondContact O-N 3.09Å; M252-Y260 HydrophobicContact CE-CE2 4.39Å; M252-W437 HydrophobicContact CE-CH2 4.19Å; M252-W437 HydrophobicContact CE-CZ3 3.9Å
253	G	94.1	Very high	95.2	Very high	43 Å²	43	40.9 Å²	40.9	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-58.3	-43.1	-167.1	0	0	0	0	0	114.1	L256 I257	G253-L256 PolarHBondContact O-N 3.5Å; G253-I257 WeakPolarHBondContact O-CG1 3.47Å; G253-I257 PolarHBondContact O-N 3.12Å; G253-I257 VanDerWaalsContact O-N 3.16Å
254	Y	94.4	Very high	95.2	Very high	123 Å²	123	42.6 Å²	42.6	48%	0.482	21%	0.214	S	C	.	.	H	α-helix	trans	-58.3	-51	176.8	172	-100.7	0	0	0	112.3	M252 L256 I257 Q258	M252-Y254 PolarHBondContact O-N 3.07Å; Y254-L256 VanDerWaalsContact C-N 3.32Å; Y254-L256 PolarHBondContact O-N 3.46Å; Y254-I257 PolarHBondContact O-N 2.83Å; Y254-Q258 VanDerWaalsContact CZ-OE1 3.29Å; Y254-Q258 WeakPolarHBondContact O-CB 3.4Å; Y254-Q258 PolarHBondContact O-N 2.76Å; Y254-Q258 PolarHBondContact OH-OE1 3.38Å
255	Y	94.6	Very high	95.2	Very high	12 Å²	12	47.6 Å²	47.6	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-35.8	-178.7	-57.6	-78.1	0	0	0	112	F177 P178 R250 M252 M259 Y260	F177-Y255 HydrophobicContact CE1-CE1 4.31Å; F177-Y255 HydrophobicContact CE2-CE1 4.02Å; F177-Y255 AromaticContact CE2-CZ 3.96Å; F177-Y255 HydrophobicContact CZ-CD1 4.08Å; F177-Y255 AromaticContact CZ-CE1 3.43Å; F177-Y255 HydrophobicContact CZ-CE1 3.43Å; F177-Y255 VanDerWaalsContact CZ-CE1 3.43Å; F177-Y255 AromaticContact CZ-CZ 3.87Å; P178-Y255 HydrophobicContact CB-CD1 4.06Å; P178-Y255 HydrophobicContact CB-CD2 3.59Å; P178-Y255 HydrophobicContact CB-CE1 4.39Å; P178-Y255 HydrophobicContact CB-CE2 3.95Å; P178-Y255 HydrophobicContact CB-CG 3.64Å; P178-Y255 HydrophobicContact CG-CD1 4.37Å; P178-Y255 HydrophobicContact CG-CD2 4.19Å; P178-Y255 HydrophobicContact CG-CG 3.85Å; R250-Y255 HydrophobicContact CG-CE2 4Å; R250-Y255 PolarHBondContact NH1-OH 3.37Å; M252-Y255 PolarHBondContact O-N 3.15Å; Y255-M259 HydrophobicContact CD1-CE 3.83Å; Y255-M259 HydrophobicContact CD1-SD 3.9Å; Y255-M259 HydrophobicContact CE1-CE 4.13Å; Y255-M259 WeakPolarHBondContact O-CA 3.37Å; Y255-M259 WeakPolarHBondContact O-CB 3.36Å; Y255-M259 PolarHBondContact O-N 2.78Å; Y255-Y260 WeakPolarHBondContact O-CD2 3.45Å; Y255-Y260 PolarHBondContact O-N 3.15Å; Y255-Y260 VanDerWaalsContact O-N 3.14Å
256	L	95	Very high	95.2	Very high	73 Å²	73	45.2 Å²	45.2	38%	0.382	23%	0.233	S	C	.	.	I	π-helix	trans	-58.8	-48.9	175.8	-161.1	162.4	0	0	0	110.7	M252 G253 Y254 Y260 I261	M252-L256 PolarHBondContact O-N 3.09Å; G253-L256 PolarHBondContact O-N 3.5Å; Y254-L256 VanDerWaalsContact C-N 3.32Å; Y254-L256 PolarHBondContact O-N 3.46Å; L256-Y260 PolarHBondContact O-N 3.02Å; L256-I261 HydrophobicContact CD2-CD1 3.51Å; L256-I261 HydrophobicContact CD2-CG1 3.9Å; L256-I261 PolarHBondContact O-N 2.82Å
257	I	95.4	Very high	95.3	Very high	121 Å²	121	45.2 Å²	45.2	62%	0.621	23%	0.233	S	C	*	.	I	π-helix	trans	-73.1	-42.2	-178.2	-63.7	170.2	0	0	0	112.3	G253 Y254 P262	G253-I257 WeakPolarHBondContact O-CG1 3.47Å; G253-I257 PolarHBondContact O-N 3.12Å; G253-I257 VanDerWaalsContact O-N 3.16Å; Y254-I257 PolarHBondContact O-N 2.83Å; I257-P262 VanDerWaalsContact O-CD 3.23Å; I257-P262 WeakPolarHBondContact O-CD 3.41Å
258	Q	92.4	Very high	95.3	Very high	109 Å²	109	48.2 Å²	48.2	51%	0.509	25%	0.249	S	C	.	.	I	π-helix	trans	-93.4	-22.3	-171.2	-169.8	158.1	-17.3	0	0	114.6	Y254	Y254-Q258 VanDerWaalsContact CZ-OE1 3.29Å; Y254-Q258 WeakPolarHBondContact O-CB 3.4Å; Y254-Q258 PolarHBondContact O-N 2.76Å; Y254-Q258 PolarHBondContact OH-OE1 3.38Å
259	M	93.3	Very high	95.3	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.069	27%	0.27	C	S	.	.	I	π-helix	trans	-115.1	-55.9	-178.8	-55.6	-171.2	-177.8	0	0	112.5	Y255 S263 Q298 I315	Y255-M259 HydrophobicContact CD1-CE 3.83Å; Y255-M259 HydrophobicContact CD1-SD 3.9Å; Y255-M259 HydrophobicContact CE1-CE 4.13Å; Y255-M259 WeakPolarHBondContact O-CA 3.37Å; Y255-M259 WeakPolarHBondContact O-CB 3.36Å; Y255-M259 PolarHBondContact O-N 2.78Å; M259-S263 WeakPolarHBondContact O-CB 3.41Å; M259-S263 PolarHBondContact O-N 3.12Å; M259-S263 PolarHBondContact O-OG 3.43Å; M259-Q298 PolarHBondContact O-NE2 3.36Å; M259-I315 HydrophobicContact CB-CD1 4.4Å; M259-I315 HydrophobicContact SD-CD1 4.21Å; M259-I315 HydrophobicContact SD-CG1 4.3Å
260	Y	96.3	Very high	95.4	Very high	2 Å²	2	50.5 Å²	50.5	1%	0.008	26%	0.261	C	S	.	.	I	π-helix	trans	-71	-51.2	-173.2	-69.4	-89.4	0	0	0	113	P178 M252 Y255 L256 S263 L264 I315 W318 Y436 W437	P178-Y260 WeakPolarHBondContact CD-OH 3.45Å; P178-Y260 HydrophobicContact CG-CE2 4.07Å; M252-Y260 HydrophobicContact CE-CE2 4.39Å; Y255-Y260 WeakPolarHBondContact O-CD2 3.45Å; Y255-Y260 PolarHBondContact O-N 3.15Å; Y255-Y260 VanDerWaalsContact O-N 3.14Å; L256-Y260 PolarHBondContact O-N 3.02Å; Y260-S263 PolarHBondContact O-N 3.11Å; Y260-S263 PolarHBondContact O-OG 2.77Å; Y260-L264 WeakPolarHBondContact O-CB 3.32Å; Y260-L264 VanDerWaalsContact O-CG 3.31Å; Y260-L264 WeakPolarHBondContact O-CG 3.21Å; Y260-L264 PolarHBondContact O-N 2.68Å; Y260-I315 HydrophobicContact CE2-CD1 4.31Å; Y260-W318 AromaticContact CD1-CD2 3.59Å; Y260-W318 HydrophobicContact CD1-CD2 3.59Å; Y260-W318 AromaticContact CD1-CE2 3.46Å; Y260-W318 VanDerWaalsContact CD1-CE2 3.46Å; Y260-W318 AromaticContact CD1-CE3 4Å; Y260-W318 HydrophobicContact CD1-CE3 4Å; Y260-W318 HydrophobicContact CD1-CG 4.04Å; Y260-W318 HydrophobicContact CD1-CH2 4.16Å; Y260-W318 AromaticContact CD1-CZ2 3.78Å; Y260-W318 HydrophobicContact CD1-CZ2 3.78Å; Y260-W318 HydrophobicContact CD1-CZ3 4.26Å; Y260-W318 AromaticContact CD1-NE1 3.76Å; Y260-W318 HydrophobicContact CE1-CB 4.29Å; Y260-W318 AromaticContact CE1-CD2 3.54Å; Y260-W318 HydrophobicContact CE1-CD2 3.54Å; Y260-W318 AromaticContact CE1-CE2 3.93Å; Y260-W318 AromaticContact CE1-CE3 3.85Å; Y260-W318 HydrophobicContact CE1-CE3 3.85Å; Y260-W318 AromaticContact CE1-CG 3.7Å; Y260-W318 HydrophobicContact CE1-CG 3.7Å; Y260-W318 HydrophobicContact CE1-CZ3 4.46Å; Y260-Y436 AromaticContact CE1-CE1 3.77Å; Y260-Y436 HydrophobicContact CE1-CE1 3.77Å; Y260-Y436 PolarHBondContact OH-OH 3.04Å; Y260-W437 AromaticContact CD1-CH2 3.84Å; Y260-W437 HydrophobicContact CD1-CH2 3.84Å; Y260-W437 AromaticContact CD1-CZ2 3.57Å; Y260-W437 HydrophobicContact CD1-CZ2 3.57Å; Y260-W437 HydrophobicContact CD2-CH2 4.23Å; Y260-W437 AromaticContact CE1-CH2 3.8Å; Y260-W437 HydrophobicContact CE1-CH2 3.8Å; Y260-W437 AromaticContact CE1-CZ2 3.83Å; Y260-W437 HydrophobicContact CE1-CZ2 3.83Å; Y260-W437 HydrophobicContact CE2-CH2 4.2Å; Y260-W437 HydrophobicContact CG-CH2 4.07Å; Y260-W437 HydrophobicContact CG-CZ2 4.02Å; Y260-W437 AromaticContact CZ-CH2 3.99Å
261	I	96.6	Very high	95.4	Very high	72 Å²	72	52.3 Å²	52.3	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-47.3	-179.7	-74.4	167.5	0	0	0	112.5	L256 S263 L264 L265	L256-I261 HydrophobicContact CD2-CD1 3.51Å; L256-I261 HydrophobicContact CD2-CG1 3.9Å; L256-I261 PolarHBondContact O-N 2.82Å; I261-S263 PolarHBondContact O-N 3.38Å; I261-L264 WeakPolarHBondContact O-CB 3.45Å; I261-L264 PolarHBondContact O-N 3.21Å; I261-L265 HydrophobicContact CG2-CD1 4Å; I261-L265 HydrophobicContact CG2-CG 4.47Å; I261-L265 WeakPolarHBondContact O-CG 3.31Å; I261-L265 PolarHBondContact O-N 3.38Å
262	P	97	Very high	95.3	Very high	44 Å²	44	51.5 Å²	51.5	29%	0.286	27%	0.269	S	S	.	.	H	α-helix	trans	-68.3	-33.8	-179.3	-21.8	34.6	0	0	0	113	I257 L265 I266	I257-P262 VanDerWaalsContact O-CD 3.23Å; I257-P262 WeakPolarHBondContact O-CD 3.41Å; P262-L265 PolarHBondContact O-N 2.85Å; P262-I266 WeakPolarHBondContact O-CD1 3.4Å; P262-I266 VanDerWaalsContact O-CG1 3.28Å; P262-I266 WeakPolarHBondContact O-CG1 3.23Å; P262-I266 PolarHBondContact O-N 2.84Å
263	S	96.9	Very high	95.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-70.3	-39.3	175.3	51.6	0	0	0	0	112.1	M259 Y260 I261 L265 I266 V267 W318	M259-S263 WeakPolarHBondContact O-CB 3.41Å; M259-S263 PolarHBondContact O-N 3.12Å; M259-S263 PolarHBondContact O-OG 3.43Å; Y260-S263 PolarHBondContact O-N 3.11Å; Y260-S263 PolarHBondContact O-OG 2.77Å; I261-S263 PolarHBondContact O-N 3.38Å; S263-L265 VanDerWaalsContact C-N 3.33Å; S263-L265 PolarHBondContact O-N 2.92Å; S263-I266 PolarHBondContact O-N 2.87Å; S263-V267 WeakPolarHBondContact O-CG2 3.33Å; S263-V267 PolarHBondContact O-N 3.32Å; S263-W318 PolarHBondContact OG-NE1 3.25Å
264	L	96.6	Very high	95.2	Very high	45 Å²	45	48.4 Å²	48.4	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-54.7	-47.7	168.3	-75	173.3	0	0	0	111.3	Y260 I261 I266 V267 I268 W318 F429	Y260-L264 WeakPolarHBondContact O-CB 3.32Å; Y260-L264 VanDerWaalsContact O-CG 3.31Å; Y260-L264 WeakPolarHBondContact O-CG 3.21Å; Y260-L264 PolarHBondContact O-N 2.68Å; I261-L264 WeakPolarHBondContact O-CB 3.45Å; I261-L264 PolarHBondContact O-N 3.21Å; L264-I266 PolarHBondContact O-N 2.94Å; L264-V267 PolarHBondContact O-N 2.67Å; L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.43Å; L264-I268 PolarHBondContact O-N 2.69Å; L264-W318 HydrophobicContact CD2-CH2 3.7Å; L264-W318 HydrophobicContact CD2-CZ2 3.81Å; L264-W318 HydrophobicContact CG-CH2 4.18Å; L264-W318 HydrophobicContact CG-CZ2 3.91Å; L264-F429 HydrophobicContact CD2-CE1 3.51Å; L264-F429 HydrophobicContact CD2-CZ 3.78Å
265	L	96.5	Very high	95.1	Very high	104 Å²	104	50.8 Å²	50.8	55%	0.545	25%	0.251	S	S	.	.	H	α-helix	trans	-64.5	-37.3	-179.9	-69.8	172.5	0	0	0	112.6	I261 P262 S263 I268 L269	I261-L265 HydrophobicContact CG2-CD1 4Å; I261-L265 HydrophobicContact CG2-CG 4.47Å; I261-L265 WeakPolarHBondContact O-CG 3.31Å; I261-L265 PolarHBondContact O-N 3.38Å; P262-L265 PolarHBondContact O-N 2.85Å; S263-L265 VanDerWaalsContact C-N 3.33Å; S263-L265 PolarHBondContact O-N 2.92Å; L265-I268 PolarHBondContact O-N 2.91Å; L265-L269 VanDerWaalsContact O-CB 3.27Å; L265-L269 WeakPolarHBondContact O-CB 3.34Å; L265-L269 PolarHBondContact O-N 3.19Å
266	I	97.1	Very high	95	Very high	20 Å²	20	52.4 Å²	52.4	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-65	-42	174.5	-67.1	159	0	0	0	111.1	P262 S263 L264 L269 S270 T291 T294 M295 V326	P262-I266 WeakPolarHBondContact O-CD1 3.4Å; P262-I266 VanDerWaalsContact O-CG1 3.28Å; P262-I266 WeakPolarHBondContact O-CG1 3.23Å; P262-I266 PolarHBondContact O-N 2.84Å; S263-I266 PolarHBondContact O-N 2.87Å; L264-I266 PolarHBondContact O-N 2.94Å; I266-L269 PolarHBondContact O-N 3.43Å; I266-S270 PolarHBondContact O-N 2.93Å; I266-T291 HydrophobicContact CG2-CG2 4.31Å; I266-T294 HydrophobicContact CD1-CG2 3.6Å; I266-T294 HydrophobicContact CG1-CG2 4.18Å; I266-M295 HydrophobicContact CG2-CB 4.22Å; I266-M295 HydrophobicContact CG2-SD 4.5Å; I266-V326 HydrophobicContact CG2-CG2 4.21Å
267	V	97.5	Very high	94.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-46.6	175.4	175.5	0	0	0	0	110.7	S263 L264 L269 S270 W271 C322 F325 V326 F429	S263-V267 WeakPolarHBondContact O-CG2 3.33Å; S263-V267 PolarHBondContact O-N 3.32Å; L264-V267 PolarHBondContact O-N 2.67Å; V267-L269 VanDerWaalsContact C-N 3.32Å; V267-L269 PolarHBondContact O-N 3Å; V267-S270 WeakPolarHBondContact O-CB 3.42Å; V267-S270 PolarHBondContact O-N 3.43Å; V267-S270 VanDerWaalsContact O-N 3.16Å; V267-S270 PolarHBondContact O-OG 3.14Å; V267-W271 HydrophobicContact CG1-CZ2 3.66Å; V267-W271 VanDerWaalsContact O-CD1 3.31Å; V267-W271 PolarHBondContact O-N 3.44Å; V267-W271 PolarHBondContact O-NE1 3.22Å; V267-C322 HydrophobicContact CG2-CB 3.72Å; V267-F325 HydrophobicContact CG1-CB 4.22Å; V267-V326 HydrophobicContact CG2-CG2 3.96Å; V267-F429 HydrophobicContact CB-CE1 4.2Å; V267-F429 HydrophobicContact CB-CZ 4.04Å; V267-F429 HydrophobicContact CG1-CD1 4.01Å; V267-F429 HydrophobicContact CG1-CD2 4.15Å; V267-F429 HydrophobicContact CG1-CE1 3.83Å; V267-F429 HydrophobicContact CG1-CE2 4Å; V267-F429 HydrophobicContact CG1-CG 4.15Å; V267-F429 HydrophobicContact CG1-CZ 3.83Å; V267-F429 HydrophobicContact CG2-CE2 4.23Å; V267-F429 HydrophobicContact CG2-CZ 3.98Å
268	I	96.1	Very high	94.1	Very high	77 Å²	77	50.9 Å²	50.9	40%	0.395	25%	0.253	S	S	.	.	H	α-helix	trans	-60.5	-41.9	176.2	-67.2	162.5	0	0	0	111.1	L264 L265 S270 W271	L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.43Å; L264-I268 PolarHBondContact O-N 2.69Å; L265-I268 PolarHBondContact O-N 2.91Å; I268-S270 VanDerWaalsContact C-N 3.29Å; I268-S270 PolarHBondContact O-N 3.47Å; I268-W271 HydrophobicContact CB-CE3 4.31Å; I268-W271 HydrophobicContact CB-CZ3 4.42Å; I268-W271 HydrophobicContact CG1-CE3 4.11Å; I268-W271 HydrophobicContact CG1-CH2 4.07Å; I268-W271 HydrophobicContact CG1-CZ3 3.72Å; I268-W271 HydrophobicContact CG2-CE3 4.36Å; I268-W271 WeakPolarHBondContact O-CB 3.46Å; I268-W271 PolarHBondContact O-N 2.64Å; I268-W271 VanDerWaalsContact O-N 3.08Å
269	L	95.2	Very high	93.7	Very high	87 Å²	87	52.8 Å²	52.8	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-37.5	177.3	-175.7	61.3	0	0	0	111.7	L265 I266 V267 W271 V272 T291	L265-L269 VanDerWaalsContact O-CB 3.27Å; L265-L269 WeakPolarHBondContact O-CB 3.34Å; L265-L269 PolarHBondContact O-N 3.19Å; I266-L269 PolarHBondContact O-N 3.43Å; V267-L269 VanDerWaalsContact C-N 3.32Å; V267-L269 PolarHBondContact O-N 3Å; L269-W271 PolarHBondContact O-N 3.01Å; L269-V272 HydrophobicContact CD1-CG2 4.33Å; L269-V272 VanDerWaalsContact O-CB 3.32Å; L269-V272 WeakPolarHBondContact O-CB 3.19Å; L269-V272 PolarHBondContact O-N 3.35Å; L269-V272 VanDerWaalsContact O-N 3.14Å; L269-T291 HydrophobicContact CB-CG2 4.32Å; L269-T291 HydrophobicContact CD2-CG2 3.98Å; L269-T291 HydrophobicContact CG-CG2 4.06Å
270	S	95.8	Very high	93.6	Very high	1 Å²	1	54 Å²	54	1%	0.007	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-33.7	174.9	81.8	0	0	0	0	112.7	I266 V267 I268 V272 S273	I266-S270 PolarHBondContact O-N 2.93Å; V267-S270 WeakPolarHBondContact O-CB 3.42Å; V267-S270 PolarHBondContact O-N 3.43Å; V267-S270 VanDerWaalsContact O-N 3.16Å; V267-S270 PolarHBondContact O-OG 3.14Å; I268-S270 VanDerWaalsContact C-N 3.29Å; I268-S270 PolarHBondContact O-N 3.47Å; S270-V272 VanDerWaalsContact C-N 3.3Å; S270-V272 PolarHBondContact O-N 2.85Å; S270-S273 WeakPolarHBondContact O-CB 3.31Å; S270-S273 PolarHBondContact O-N 3.48Å; S270-S273 PolarHBondContact O-OG 3.49Å
271	W	94.7	Very high	93.2	Very high	41 Å²	41	55.2 Å²	55.2	16%	0.155	29%	0.289	C	S	.	.	H	α-helix	trans	-71.6	-22.3	179	-50.8	-20.5	0	0	0	113.4	V267 I268 L269 S273 F274 P426 F429	V267-W271 HydrophobicContact CG1-CZ2 3.66Å; V267-W271 VanDerWaalsContact O-CD1 3.31Å; V267-W271 PolarHBondContact O-N 3.44Å; V267-W271 PolarHBondContact O-NE1 3.22Å; I268-W271 HydrophobicContact CB-CE3 4.31Å; I268-W271 HydrophobicContact CB-CZ3 4.42Å; I268-W271 HydrophobicContact CG1-CE3 4.11Å; I268-W271 HydrophobicContact CG1-CH2 4.07Å; I268-W271 HydrophobicContact CG1-CZ3 3.72Å; I268-W271 HydrophobicContact CG2-CE3 4.36Å; I268-W271 WeakPolarHBondContact O-CB 3.46Å; I268-W271 PolarHBondContact O-N 2.64Å; I268-W271 VanDerWaalsContact O-N 3.08Å; L269-W271 PolarHBondContact O-N 3.01Å; W271-S273 PolarHBondContact O-N 3.38Å; W271-F274 HydrophobicContact CB-CD2 4.05Å; W271-F274 HydrophobicContact CB-CE2 4.07Å; W271-F274 AromaticContact CD1-CE2 3.95Å; W271-F274 HydrophobicContact CG-CE2 4.27Å; W271-F274 WeakPolarHBondContact O-CB 3.25Å; W271-F274 WeakPolarHBondContact O-CD2 3.34Å; W271-F274 PolarHBondContact O-N 3.05Å; W271-F274 VanDerWaalsContact O-N 3.11Å; W271-P426 HydrophobicContact CD2-CG 3.96Å; W271-P426 HydrophobicContact CE3-CB 4.14Å; W271-P426 HydrophobicContact CE3-CG 3.73Å; W271-P426 HydrophobicContact CH2-CB 3.92Å; W271-P426 HydrophobicContact CH2-CG 4.32Å; W271-P426 HydrophobicContact CZ2-CB 4.39Å; W271-P426 HydrophobicContact CZ3-CB 3.78Å; W271-P426 HydrophobicContact CZ3-CG 3.92Å; W271-F429 HydrophobicContact CH2-CB 4.35Å; W271-F429 AromaticContact CH2-CD1 3.78Å; W271-F429 HydrophobicContact CH2-CD1 3.78Å; W271-F429 HydrophobicContact CH2-CG 4.44Å; W271-F429 HydrophobicContact CZ2-CB 3.8Å; W271-F429 AromaticContact CZ2-CD1 3.6Å; W271-F429 HydrophobicContact CZ2-CD1 3.6Å; W271-F429 HydrophobicContact CZ2-CE1 4.43Å; W271-F429 AromaticContact CZ2-CG 3.91Å; W271-F429 HydrophobicContact CZ2-CG 3.91Å
272	V	93.1	Very high	93	Very high	65 Å²	65	57 Å²	57	39%	0.394	31%	0.306	S	S	.	.	H	α-helix	trans	-59.6	-28.7	174	-177.8	0	0	0	0	110.6	L269 S270 F274 W275 L287	L269-V272 HydrophobicContact CD1-CG2 4.33Å; L269-V272 VanDerWaalsContact O-CB 3.32Å; L269-V272 WeakPolarHBondContact O-CB 3.19Å; L269-V272 PolarHBondContact O-N 3.35Å; L269-V272 VanDerWaalsContact O-N 3.14Å; S270-V272 VanDerWaalsContact C-N 3.3Å; S270-V272 PolarHBondContact O-N 2.85Å; V272-F274 PolarHBondContact O-N 3.46Å; V272-W275 WeakPolarHBondContact O-CB 3.33Å; V272-W275 PolarHBondContact O-N 3.27Å; V272-L287 HydrophobicContact CB-CD1 4.39Å
273	S	92.2	Very high	92.8	Very high	5 Å²	5	57.3 Å²	57.3	4%	0.035	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-58.3	-32.5	175.8	73	0	0	0	0	113.7	S270 W271 W275 I276 R284	S270-S273 WeakPolarHBondContact O-CB 3.31Å; S270-S273 PolarHBondContact O-N 3.48Å; S270-S273 PolarHBondContact O-OG 3.49Å; W271-S273 PolarHBondContact O-N 3.38Å; S273-W275 PolarHBondContact O-N 3.41Å; S273-I276 PolarHBondContact O-N 2.95Å; S273-I276 VanDerWaalsContact O-N 3.17Å; S273-R284 WeakPolarHBondContact O-CD 3.34Å; S273-R284 VanDerWaalsContact O-CZ 3.28Å; S273-R284 PolarHBondContact O-NE 2.87Å; S273-R284 VanDerWaalsContact O-NE 3.1Å
274	F	92.9	Very high	92.6	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-69.5	-16.9	178.3	-49.8	-42.5	0	0	0	113.3	W271 V272 A329 E332 R422 F425	W271-F274 HydrophobicContact CB-CD2 4.05Å; W271-F274 HydrophobicContact CB-CE2 4.07Å; W271-F274 AromaticContact CD1-CE2 3.95Å; W271-F274 HydrophobicContact CG-CE2 4.27Å; W271-F274 WeakPolarHBondContact O-CB 3.25Å; W271-F274 WeakPolarHBondContact O-CD2 3.34Å; W271-F274 PolarHBondContact O-N 3.05Å; W271-F274 VanDerWaalsContact O-N 3.11Å; V272-F274 PolarHBondContact O-N 3.46Å; F274-A329 HydrophobicContact CE1-CB 4.03Å; F274-A329 HydrophobicContact CZ-CB 3.78Å; F274-E332 HydrophobicContact CD1-CG 4.37Å; F274-E332 WeakPolarHBondContact CD1-OE2 3.48Å; F274-E332 HydrophobicContact CE1-CB 4.12Å; F274-E332 HydrophobicContact CE1-CG 3.85Å; F274-R422 HydrophobicContact CB-CG 3.75Å; F274-R422 VanDerWaalsContact O-CZ 3.25Å; F274-R422 PolarHBondContact O-NE 3.33Å; F274-R422 PolarHBondContact O-NH2 3.41Å; F274-F425 HydrophobicContact CE2-CB 3.87Å; F274-F425 HydrophobicContact CE2-CD1 4.12Å; F274-F425 HydrophobicContact CE2-CD2 4.01Å; F274-F425 AromaticContact CE2-CG 3.76Å; F274-F425 HydrophobicContact CE2-CG 3.76Å; F274-F425 HydrophobicContact CZ-CB 4.38Å; F274-F425 AromaticContact CZ-CD1 3.81Å; F274-F425 HydrophobicContact CZ-CD1 3.81Å; F274-F425 AromaticContact CZ-CD2 3.83Å; F274-F425 HydrophobicContact CZ-CD2 3.83Å; F274-F425 AromaticContact CZ-CE1 3.94Å; F274-F425 HydrophobicContact CZ-CE1 3.94Å; F274-F425 AromaticContact CZ-CE2 3.95Å; F274-F425 HydrophobicContact CZ-CE2 3.95Å; F274-F425 AromaticContact CZ-CG 3.76Å; F274-F425 HydrophobicContact CZ-CG 3.76Å; F274-F425 AromaticContact CZ-CZ 4Å; F274-F425 HydrophobicContact CZ-CZ 4Å
275	W	92.4	Very high	92.5	Very high	173 Å²	173	57.9 Å²	57.9	66%	0.655	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-91.3	-17.4	176	-65.2	87.9	0	0	0	112.5	V272 S273 R422	V272-W275 WeakPolarHBondContact O-CB 3.33Å; V272-W275 PolarHBondContact O-N 3.27Å; S273-W275 PolarHBondContact O-N 3.41Å; W275-R422 HydrophobicContact CZ2-CG 4.43Å
276	I	92.2	Very high	92.4	Very high	47 Å²	47	54.6 Å²	54.6	24%	0.241	31%	0.308	C	S	.	.	S	Bend	trans	-78.7	133.6	177.5	-60.3	174.4	0	0	0	109.8	S273 M278 A280 A283 R284 L287	S273-I276 PolarHBondContact O-N 2.95Å; S273-I276 VanDerWaalsContact O-N 3.17Å; I276-M278 PolarHBondContact O-N 3.21Å; I276-A280 HydrophobicContact CG2-CB 3.9Å; I276-A283 HydrophobicContact CG2-CB 4.35Å; I276-R284 HydrophobicContact CB-CG 3.86Å; I276-R284 HydrophobicContact CG2-CG 3.85Å; I276-R284 PolarHBondContact O-NH1 3.04Å; I276-L287 HydrophobicContact CD1-CD1 4.19Å
277	N	88.1	Confident	92.3	Very high	125 Å²	125	55 Å²	55	67%	0.668	31%	0.31	S	S	*	.			trans	-54.1	134.4	177.5	-69.3	-40.8	0	0	0	111.7	D279 A280	N277-D279 PolarHBondContact O-N 2.67Å; N277-D279 VanDerWaalsContact O-N 3.07Å; N277-A280 WeakPolarHBondContact O-CB 3.29Å; N277-A280 PolarHBondContact O-N 3.25Å
278	M	83.2	Confident	92.1	Very high	36 Å²	36	55.2 Å²	55.2	18%	0.177	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.9	-178.5	61.8	-177	60.3	0	0	114.5	I276 A280 V336 A414 K415 D418	I276-M278 PolarHBondContact O-N 3.21Å; M278-A280 VanDerWaalsContact C-N 3.32Å; M278-V336 HydrophobicContact CB-CG1 3.98Å; M278-V336 HydrophobicContact CE-CG1 4.08Å; M278-A414 HydrophobicContact CE-CB 3.78Å; M278-A414 HydrophobicContact SD-CB 4.18Å; M278-K415 HydrophobicContact CE-CG 3.93Å; M278-D418 WeakPolarHBondContact CE-OD2 3.48Å
279	D	84.1	Confident	92.1	Very high	150 Å²	150	56 Å²	56	80%	0.802	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-23.3	176	-59.1	-63.8	0	0	0	113.2	N277 A281	N277-D279 PolarHBondContact O-N 2.67Å; N277-D279 VanDerWaalsContact O-N 3.07Å; D279-A281 PolarHBondContact O-N 2.8Å
280	A	90.7	Very high	92.1	Very high	39 Å²	39	55.5 Å²	55.5	32%	0.322	32%	0.317	S	S	.	.			trans	-82.2	54.3	179.6	0	0	0	0	0	111.9	I276 N277 M278 P282 A283 R284	I276-A280 HydrophobicContact CG2-CB 3.9Å; N277-A280 WeakPolarHBondContact O-CB 3.29Å; N277-A280 PolarHBondContact O-N 3.25Å; M278-A280 VanDerWaalsContact C-N 3.32Å; A280-P282 VanDerWaalsContact C-CD 3.49Å; A280-A283 HydrophobicContact CB-CB 4.38Å; A280-A283 WeakPolarHBondContact O-CB 3.38Å; A280-A283 PolarHBondContact O-N 2.85Å; A280-R284 PolarHBondContact O-N 3.13Å
281	A	87.8	Confident	92.2	Very high	27 Å²	27	55.6 Å²	55.6	22%	0.223	32%	0.318	C	S	.	.	H	α-helix	trans	-51.4	-43.7	-173.7	0	0	0	0	0	115.1	D279 A283 V285 Y333	D279-A281 PolarHBondContact O-N 2.8Å; A281-A283 VanDerWaalsContact C-N 3.29Å; A281-A283 PolarHBondContact O-N 2.98Å; A281-V285 WeakPolarHBondContact O-CB 3.2Å; A281-V285 VanDerWaalsContact O-CG2 3.29Å; A281-V285 WeakPolarHBondContact O-CG2 3.38Å; A281-V285 PolarHBondContact O-N 3.02Å; A281-Y333 VanDerWaalsContact CA-OH 3.26Å; A281-Y333 WeakPolarHBondContact CA-OH 3.49Å; A281-Y333 WeakPolarHBondContact CB-OH 3.3Å
282	P	92.2	Very high	92.3	Very high	110 Å²	110	55.1 Å²	55.1	71%	0.714	32%	0.319	S	S	*	.	H	α-helix	trans	-62.1	-34.4	178.3	-23.4	35.3	0	0	0	113.4	A280 G286	A280-P282 VanDerWaalsContact C-CD 3.49Å; P282-G286 PolarHBondContact O-N 2.86Å
283	A	93.1	Very high	92.5	Very high	50 Å²	50	57 Å²	57	41%	0.413	33%	0.327	S	S	.	.	H	α-helix	trans	-71.4	-46.4	-178.8	0	0	0	0	0	112	I276 A280 A281 L287	I276-A283 HydrophobicContact CG2-CB 4.35Å; A280-A283 HydrophobicContact CB-CB 4.38Å; A280-A283 WeakPolarHBondContact O-CB 3.38Å; A280-A283 PolarHBondContact O-N 2.85Å; A281-A283 VanDerWaalsContact C-N 3.29Å; A281-A283 PolarHBondContact O-N 2.98Å; A283-L287 WeakPolarHBondContact O-CB 3.48Å; A283-L287 PolarHBondContact O-N 3.24Å
284	R	93.5	Very high	92.7	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.011	35%	0.346	C	S	.	.	H	α-helix	trans	-67.2	-41.3	177.4	-73.8	-178.3	75.9	158.1	-8	112.3	S273 I276 A280 G288 E332 Y333 D418	S273-R284 WeakPolarHBondContact O-CD 3.34Å; S273-R284 VanDerWaalsContact O-CZ 3.28Å; S273-R284 PolarHBondContact O-NE 2.87Å; S273-R284 VanDerWaalsContact O-NE 3.1Å; I276-R284 HydrophobicContact CB-CG 3.86Å; I276-R284 HydrophobicContact CG2-CG 3.85Å; I276-R284 PolarHBondContact O-NH1 3.04Å; A280-R284 PolarHBondContact O-N 3.13Å; R284-G288 PolarHBondContact O-N 3.17Å; R284-E332 IonicContact NH2-OE1 3.81Å; R284-E332 IonicContact NH2-OE2 2.78Å; R284-E332 PolarHBondContact NH2-OE2 3.04Å; R284-Y333 HydrophobicContact CB-CD1 4.28Å; R284-Y333 HydrophobicContact CB-CD2 3.66Å; R284-Y333 HydrophobicContact CB-CE1 4.43Å; R284-Y333 HydrophobicContact CB-CE2 3.79Å; R284-Y333 HydrophobicContact CB-CG 3.89Å; R284-Y333 HydrophobicContact CG-CD2 4.18Å; R284-Y333 HydrophobicContact CG-CE2 4.41Å; R284-D418 IonicContact CZ-OD1 3.24Å; R284-D418 VanDerWaalsContact CZ-OD1 3.24Å; R284-D418 IonicContact NH1-OD1 2.75Å; R284-D418 PolarHBondContact NH1-OD1 3.04Å; R284-D418 IonicContact NH1-OD2 3.84Å; R284-D418 IonicContact NH2-OD1 2.78Å; R284-D418 PolarHBondContact NH2-OD1 3.07Å
285	V	93.7	Very high	92.8	Very high	55 Å²	55	60.2 Å²	60.2	33%	0.333	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-47.5	174.8	175.4	0	0	0	0	111.1	A281 L287 G288 I289 Y333	A281-V285 WeakPolarHBondContact O-CB 3.2Å; A281-V285 VanDerWaalsContact O-CG2 3.29Å; A281-V285 WeakPolarHBondContact O-CG2 3.38Å; A281-V285 PolarHBondContact O-N 3.02Å; V285-L287 PolarHBondContact O-N 3.46Å; V285-G288 PolarHBondContact O-N 2.91Å; V285-I289 HydrophobicContact CG1-CD1 3.58Å; V285-I289 HydrophobicContact CG1-CG1 4.24Å; V285-I289 WeakPolarHBondContact O-CG1 3.3Å; V285-I289 PolarHBondContact O-N 3.27Å; V285-Y333 HydrophobicContact CG2-CD1 4.12Å; V285-Y333 HydrophobicContact CG2-CE1 3.33Å
286	G	94.9	Very high	93	Very high	34 Å²	34	55.1 Å²	55.1	35%	0.351	33%	0.334	S	S	.	.	H	α-helix	trans	-58.1	-50.9	-179.5	0	0	0	0	0	111.9	P282 I289 T290	P282-G286 PolarHBondContact O-N 2.86Å; G286-I289 PolarHBondContact O-N 3.47Å; G286-T290 WeakPolarHBondContact O-CG2 3.46Å; G286-T290 PolarHBondContact O-N 3.48Å; G286-T290 PolarHBondContact O-OG1 3.44Å
287	L	94.4	Very high	93.1	Very high	29 Å²	29	56.8 Å²	56.8	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-62.1	-43.8	177.3	-173.9	165.5	0	0	0	112.2	V272 I276 A283 V285 T290 T291	V272-L287 HydrophobicContact CB-CD1 4.39Å; I276-L287 HydrophobicContact CD1-CD1 4.19Å; A283-L287 WeakPolarHBondContact O-CB 3.48Å; A283-L287 PolarHBondContact O-N 3.24Å; V285-L287 PolarHBondContact O-N 3.46Å; L287-T290 PolarHBondContact O-OG1 3.36Å; L287-T291 HydrophobicContact CD2-CG2 4.11Å; L287-T291 WeakPolarHBondContact O-CB 3.29Å; L287-T291 WeakPolarHBondContact O-CG2 3.29Å; L287-T291 PolarHBondContact O-N 2.92Å; L287-T291 PolarHBondContact O-OG1 3.43Å
288	G	94.1	Very high	93.4	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-62.9	-44.4	177.7	0	0	0	0	0	113.3	R284 V285 T291 V292	R284-G288 PolarHBondContact O-N 3.17Å; V285-G288 PolarHBondContact O-N 2.91Å; G288-T291 PolarHBondContact O-OG1 3.35Å; G288-T291 VanDerWaalsContact O-OG1 3.11Å; G288-V292 WeakPolarHBondContact O-CG2 3.44Å; G288-V292 PolarHBondContact O-N 3.26Å
289	I	95.8	Very high	93.9	Very high	94 Å²	94	51.7 Å²	51.7	48%	0.482	32%	0.32	S	S	.	.	H	α-helix	trans	-69.9	-44	178.9	-67.3	176.2	0	0	0	111.3	V285 G286 V292 L293 L330	V285-I289 HydrophobicContact CG1-CD1 3.58Å; V285-I289 HydrophobicContact CG1-CG1 4.24Å; V285-I289 WeakPolarHBondContact O-CG1 3.3Å; V285-I289 PolarHBondContact O-N 3.27Å; G286-I289 PolarHBondContact O-N 3.47Å; I289-V292 PolarHBondContact O-N 2.99Å; I289-L293 WeakPolarHBondContact O-CB 3.17Å; I289-L293 PolarHBondContact O-N 2.68Å; I289-L330 HydrophobicContact CG1-CD1 4.5Å; I289-L330 HydrophobicContact CG1-CD2 4.49Å
290	T	96.3	Very high	94.3	Very high	76 Å²	76	47.5 Å²	47.5	47%	0.466	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-41.2	179.6	55.6	0	0	0	0	111.7	G286 L287 L293 T294	G286-T290 WeakPolarHBondContact O-CG2 3.46Å; G286-T290 PolarHBondContact O-N 3.48Å; G286-T290 PolarHBondContact O-OG1 3.44Å; L287-T290 PolarHBondContact O-OG1 3.36Å; T290-L293 PolarHBondContact O-N 3.34Å; T290-T294 WeakPolarHBondContact O-CB 3.47Å; T290-T294 PolarHBondContact O-N 3Å; T290-T294 PolarHBondContact O-OG1 3.39Å
291	T	96.5	Very high	94.3	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-42.3	176.4	48.9	0	0	0	0	112.5	I266 L269 L287 G288 M295 V326	I266-T291 HydrophobicContact CG2-CG2 4.31Å; L269-T291 HydrophobicContact CB-CG2 4.32Å; L269-T291 HydrophobicContact CD2-CG2 3.98Å; L269-T291 HydrophobicContact CG-CG2 4.06Å; L287-T291 HydrophobicContact CD2-CG2 4.11Å; L287-T291 WeakPolarHBondContact O-CB 3.29Å; L287-T291 WeakPolarHBondContact O-CG2 3.29Å; L287-T291 PolarHBondContact O-N 2.92Å; L287-T291 PolarHBondContact O-OG1 3.43Å; G288-T291 PolarHBondContact O-OG1 3.35Å; G288-T291 VanDerWaalsContact O-OG1 3.11Å; T291-M295 VanDerWaalsContact O-CB 3.31Å; T291-M295 WeakPolarHBondContact O-CB 3.34Å; T291-M295 PolarHBondContact O-N 2.92Å; T291-V326 VanDerWaalsContact CB-CG1 3.5Å; T291-V326 WeakPolarHBondContact OG1-CG1 3.31Å
292	V	96.9	Very high	94.4	Very high	30 Å²	30	46.7 Å²	46.7	18%	0.182	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-45.1	173.7	171.8	0	0	0	0	111.3	G288 I289 M295 T296 L323 V326 L330	G288-V292 WeakPolarHBondContact O-CG2 3.44Å; G288-V292 PolarHBondContact O-N 3.26Å; I289-V292 PolarHBondContact O-N 2.99Å; V292-M295 PolarHBondContact O-N 2.98Å; V292-T296 WeakPolarHBondContact O-CB 3.18Å; V292-T296 PolarHBondContact O-N 3.31Å; V292-T296 PolarHBondContact O-OG1 3.02Å; V292-L323 HydrophobicContact CG1-CD1 4.28Å; V292-V326 HydrophobicContact CB-CG1 4.46Å; V292-V326 HydrophobicContact CG2-CG1 3.77Å; V292-L330 HydrophobicContact CG2-CD2 4.47Å
293	L	96.7	Very high	94.2	Very high	106 Å²	106	47.3 Å²	47.3	56%	0.555	29%	0.288	S	S	*	.	H	α-helix	trans	-63.8	-48.8	179.6	179.3	60.5	0	0	0	111.6	I289 T290 M295 T296 T297	I289-L293 WeakPolarHBondContact O-CB 3.17Å; I289-L293 PolarHBondContact O-N 2.68Å; T290-L293 PolarHBondContact O-N 3.34Å; L293-M295 VanDerWaalsContact C-N 3.34Å; L293-M295 PolarHBondContact O-N 3.46Å; L293-T296 WeakPolarHBondContact O-CB 3.46Å; L293-T296 PolarHBondContact O-N 3.47Å; L293-T297 PolarHBondContact O-N 3.44Å; L293-T297 PolarHBondContact O-OG1 2.88Å; L293-T297 VanDerWaalsContact O-OG1 3.08Å
294	T	96.8	Very high	94	Very high	72 Å²	72	49 Å²	49	44%	0.442	30%	0.302	S	S	.	.	H	α-helix	trans	-60.8	-42.5	178.1	-56.8	0	0	0	0	111.3	I266 T290 T296 T297 Q298	I266-T294 HydrophobicContact CD1-CG2 3.6Å; I266-T294 HydrophobicContact CG1-CG2 4.18Å; T290-T294 WeakPolarHBondContact O-CB 3.47Å; T290-T294 PolarHBondContact O-N 3Å; T290-T294 PolarHBondContact O-OG1 3.39Å; T294-T296 VanDerWaalsContact C-N 3.33Å; T294-T296 PolarHBondContact O-N 2.96Å; T294-T297 PolarHBondContact O-N 3.19Å; T294-Q298 WeakPolarHBondContact O-CB 3.33Å; T294-Q298 PolarHBondContact O-N 3.45Å
295	M	95.9	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-39.6	176	-169.1	66.2	-147.1	0	0	112	I266 T291 V292 L293 Q298 S299 M319 C322 L323	I266-M295 HydrophobicContact CG2-CB 4.22Å; I266-M295 HydrophobicContact CG2-SD 4.5Å; T291-M295 VanDerWaalsContact O-CB 3.31Å; T291-M295 WeakPolarHBondContact O-CB 3.34Å; T291-M295 PolarHBondContact O-N 2.92Å; V292-M295 PolarHBondContact O-N 2.98Å; L293-M295 VanDerWaalsContact C-N 3.34Å; L293-M295 PolarHBondContact O-N 3.46Å; M295-Q298 PolarHBondContact O-N 2.97Å; M295-S299 WeakPolarHBondContact O-CB 3.33Å; M295-S299 PolarHBondContact O-N 2.96Å; M295-M319 HydrophobicContact CE-CB 4.06Å; M295-M319 HydrophobicContact CE-CE 4.26Å; M295-M319 HydrophobicContact CE-CG 4.34Å; M295-M319 WeakPolarHBondContact CE-O 3.16Å; M295-M319 HydrophobicContact CE-SD 3.4Å; M295-M319 WeakPolarHBondContact CE-SD 3.35Å; M295-C322 HydrophobicContact CE-CB 3.46Å; M295-C322 VanDerWaalsContact CE-CB 3.46Å; M295-C322 HydrophobicContact SD-CB 3.91Å; M295-L323 HydrophobicContact CB-CD1 4.1Å; M295-L323 HydrophobicContact CG-CB 4.03Å; M295-L323 HydrophobicContact CG-CD1 4.01Å
296	T	95.5	Very high	93.4	Very high	66 Å²	66	50.2 Å²	50.2	41%	0.405	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-44.3	176.7	-55.9	0	0	0	0	111.4	V292 L293 T294 S299 S300	V292-T296 WeakPolarHBondContact O-CB 3.18Å; V292-T296 PolarHBondContact O-N 3.31Å; V292-T296 PolarHBondContact O-OG1 3.02Å; L293-T296 WeakPolarHBondContact O-CB 3.46Å; L293-T296 PolarHBondContact O-N 3.47Å; T294-T296 VanDerWaalsContact C-N 3.33Å; T294-T296 PolarHBondContact O-N 2.96Å; T296-S299 PolarHBondContact O-N 3.4Å; T296-S300 PolarHBondContact O-N 2.91Å; T296-S300 PolarHBondContact O-OG 3.39Å
297	T	95.8	Very high	93.3	Very high	83 Å²	83	49.5 Å²	49.5	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-64.8	-38.1	175.4	-59.8	0	0	0	0	112.2	L293 T294 S300 G301	L293-T297 PolarHBondContact O-N 3.44Å; L293-T297 PolarHBondContact O-OG1 2.88Å; L293-T297 VanDerWaalsContact O-OG1 3.08Å; T294-T297 PolarHBondContact O-N 3.19Å; T297-S300 PolarHBondContact O-N 2.84Å; T297-S300 PolarHBondContact O-OG 3.41Å; T297-G301 PolarHBondContact O-N 2.63Å
298	Q	94.4	Very high	93.1	Very high	33 Å²	33	58.6 Å²	58.6	15%	0.154	34%	0.34	C	S	.	.	H	α-helix	trans	-67	-39.3	175	-158.5	-168.7	2.2	0	0	111.2	M259 T294 M295 G301 S302 M319	M259-Q298 PolarHBondContact O-NE2 3.36Å; T294-Q298 WeakPolarHBondContact O-CB 3.33Å; T294-Q298 PolarHBondContact O-N 3.45Å; M295-Q298 PolarHBondContact O-N 2.97Å; Q298-G301 PolarHBondContact O-N 3.07Å; Q298-S302 PolarHBondContact O-N 3.36Å; Q298-S302 PolarHBondContact O-OG 2.95Å; Q298-M319 HydrophobicContact CB-CE 4Å; Q298-M319 HydrophobicContact CG-CE 3.67Å
299	S	93	Very high	93.1	Very high	20 Å²	20	60 Å²	60	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-67.3	-34.7	176.6	172.8	0	0	0	0	113.4	M295 T296 S302 R303	M295-S299 WeakPolarHBondContact O-CB 3.33Å; M295-S299 PolarHBondContact O-N 2.96Å; T296-S299 PolarHBondContact O-N 3.4Å; S299-S302 PolarHBondContact O-OG 2.99Å; S299-R303 PolarHBondContact O-NE 3.2Å; S299-R303 PolarHBondContact O-NH2 2.85Å; S299-R303 PolarHBondContact OG-NH2 3.45Å
300	S	92.2	Very high	93	Very high	62 Å²	62	61.6 Å²	61.6	43%	0.434	37%	0.367	S	S	.	.	H	α-helix	trans	-72.4	-41.8	170.6	57.8	0	0	0	0	111.3	T296 T297 S302 R303 A304	T296-S300 PolarHBondContact O-N 2.91Å; T296-S300 PolarHBondContact O-OG 3.39Å; T297-S300 PolarHBondContact O-N 2.84Å; T297-S300 PolarHBondContact O-OG 3.41Å; S300-S302 PolarHBondContact O-N 3.22Å; S300-R303 PolarHBondContact O-N 2.99Å; S300-R303 VanDerWaalsContact O-N 3.16Å; S300-A304 PolarHBondContact O-N 3.08Å
301	G	91.6	Very high	92.9	Very high	44 Å²	44	61.4 Å²	61.4	45%	0.454	36%	0.358	S	S	.	.	H	α-helix	trans	-57.7	-45.1	176.3	0	0	0	0	0	113.7	T297 Q298 R303 A304	T297-G301 PolarHBondContact O-N 2.63Å; Q298-G301 PolarHBondContact O-N 3.07Å; G301-R303 PolarHBondContact O-N 2.88Å; G301-R303 VanDerWaalsContact O-N 3.17Å; G301-A304 WeakPolarHBondContact O-CB 3.44Å; G301-A304 PolarHBondContact O-N 3.37Å
302	S	88.8	Confident	92.8	Very high	6 Å²	6	66 Å²	66	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-66.7	-15.5	179	66.6	0	0	0	0	114.3	Q298 S299 S300	Q298-S302 PolarHBondContact O-N 3.36Å; Q298-S302 PolarHBondContact O-OG 2.95Å; S299-S302 PolarHBondContact O-OG 2.99Å; S300-S302 PolarHBondContact O-N 3.22Å
303	R	88.9	Confident	92.7	Very high	123 Å²	123	65.2 Å²	65.2	46%	0.464	38%	0.38	S	S	.	.	H	α-helix	trans	-99.6	-10.8	177.2	-70.7	178.2	-71.4	159	-2.5	113.3	S299 S300 G301 S305 L306	S299-R303 PolarHBondContact O-NE 3.2Å; S299-R303 PolarHBondContact O-NH2 2.85Å; S299-R303 PolarHBondContact OG-NH2 3.45Å; S300-R303 PolarHBondContact O-N 2.99Å; S300-R303 VanDerWaalsContact O-N 3.16Å; G301-R303 PolarHBondContact O-N 2.88Å; G301-R303 VanDerWaalsContact O-N 3.17Å; R303-S305 VanDerWaalsContact C-N 3.34Å; R303-S305 PolarHBondContact O-N 3.42Å; R303-L306 PolarHBondContact O-N 3.36Å
304	A	88.5	Confident	92.6	Very high	85 Å²	85	60.1 Å²	60.1	70%	0.702	35%	0.354	S	S	*	.	H	α-helix	trans	-69.1	-30.7	-176.5	0	0	0	0	0	113.4	S300 G301	S300-A304 PolarHBondContact O-N 3.08Å; G301-A304 WeakPolarHBondContact O-CB 3.44Å; G301-A304 PolarHBondContact O-N 3.37Å
305	S	83.8	Confident	92.5	Very high	69 Å²	69	56.7 Å²	56.7	48%	0.483	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	13.3	179.1	65	0	0	0	0	113.9	R303	R303-S305 VanDerWaalsContact C-N 3.34Å; R303-S305 PolarHBondContact O-N 3.42Å
306	L	90.3	Very high	92.5	Very high	15 Å²	15	58.4 Å²	58.4	8%	0.079	34%	0.342	C	S	.	.	S	Bend	trans	-121.4	151.7	-175.7	-68.6	178	0	0	0	111.6	E85 F177 R303	E85-L306 HydrophobicContact CB-CD2 4.41Å; F177-L306 HydrophobicContact CD1-CD1 3.97Å; F177-L306 HydrophobicContact CD2-CD2 4.31Å; F177-L306 HydrophobicContact CE1-CD1 3.64Å; F177-L306 HydrophobicContact CE1-CD2 4.26Å; F177-L306 HydrophobicContact CE1-CG 4.49Å; F177-L306 HydrophobicContact CE2-CD2 3.81Å; F177-L306 HydrophobicContact CZ-CD1 3.99Å; F177-L306 HydrophobicContact CZ-CD2 3.77Å; F177-L306 HydrophobicContact CZ-CG 4.36Å; R303-L306 PolarHBondContact O-N 3.36Å
307	P	92.9	Very high	92.5	Very high	19 Å²	19	58.3 Å²	58.3	12%	0.123	34%	0.338	C	S	.	.			trans	-64.6	150.8	172.3	30	-35.8	0	0	0	110.5	E85 M88 L174 V309	E85-P307 WeakPolarHBondContact O-CB 3.28Å; E85-P307 WeakPolarHBondContact O-CD 3.31Å; E85-P307 WeakPolarHBondContact O-CG 3.42Å; M88-P307 HydrophobicContact CE-CB 4.26Å; M88-P307 HydrophobicContact CE-CG 3.99Å; L174-P307 HydrophobicContact CD1-CG 3.46Å; L174-P307 VanDerWaalsContact CD1-CG 3.46Å; P307-V309 VanDerWaalsContact C-N 3.27Å; P307-V309 HydrophobicContact CG-CG1 4.18Å; P307-V309 PolarHBondContact O-N 2.85Å
308	K	91.1	Very high	92.6	Very high	219 Å²	219	54.3 Å²	54.3	95%	0.952	31%	0.314	S	S	*	.			trans	-76.1	75.7	178	-65.2	-179.9	-177.2	175.1	0	110.9
309	V	93.4	Very high	92.6	Very high	34 Å²	34	52.9 Å²	52.9	21%	0.206	31%	0.307	C	S	.	.			trans	-78.5	148.8	173.3	-61.7	0	0	0	0	111.6	M88 L174 P307 Y311 K313	M88-V309 HydrophobicContact CE-CG1 4.47Å; L174-V309 HydrophobicContact CD1-CG1 4.5Å; P307-V309 VanDerWaalsContact C-N 3.27Å; P307-V309 HydrophobicContact CG-CG1 4.18Å; P307-V309 PolarHBondContact O-N 2.85Å; V309-Y311 HydrophobicContact CB-CD1 4.29Å; V309-Y311 HydrophobicContact CB-CD2 4.44Å; V309-Y311 HydrophobicContact CB-CE1 3.94Å; V309-Y311 HydrophobicContact CB-CE2 4.07Å; V309-Y311 HydrophobicContact CG1-CE1 4.14Å; V309-Y311 HydrophobicContact CG1-CE2 4.39Å; V309-Y311 HydrophobicContact CG2-CD2 4.18Å; V309-Y311 HydrophobicContact CG2-CE2 3.89Å; V309-K313 HydrophobicContact CG2-CD 3.86Å; V309-K313 HydrophobicContact CG2-CG 4.19Å
310	S	93.6	Very high	92.8	Very high	129 Å²	129	54.7 Å²	54.7	90%	0.902	32%	0.323	S	S	*	.	S	Bend	trans	-87.2	-16.3	-178.6	52.9	0	0	0	0	114.4
311	Y	94.6	Very high	93	Very high	72 Å²	72	53.4 Å²	53.4	28%	0.282	31%	0.312	S	S	.	.	S	Bend	trans	-93.1	156.8	179.8	53	-103.1	0	0	0	112.5	L174 K175 V309 K313	L174-Y311 HydrophobicContact CB-CE2 4.24Å; L174-Y311 PolarHBondContact N-OH 3.44Å; K175-Y311 HydrophobicContact CG-CD2 3.95Å; K175-Y311 HydrophobicContact CG-CE2 4.03Å; V309-Y311 HydrophobicContact CB-CD1 4.29Å; V309-Y311 HydrophobicContact CB-CD2 4.44Å; V309-Y311 HydrophobicContact CB-CE1 3.94Å; V309-Y311 HydrophobicContact CB-CE2 4.07Å; V309-Y311 HydrophobicContact CG1-CE1 4.14Å; V309-Y311 HydrophobicContact CG1-CE2 4.39Å; V309-Y311 HydrophobicContact CG2-CD2 4.18Å; V309-Y311 HydrophobicContact CG2-CE2 3.89Å; Y311-K313 HydrophobicContact CD2-CG 4.35Å; Y311-K313 HydrophobicContact CE2-CG 4.25Å
312	V	94.3	Very high	93.3	Very high	99 Å²	99	51.3 Å²	51.3	60%	0.6	29%	0.291	S	S	*	.			trans	-74.1	134.4	176.7	-177.5	0	0	0	0	110	D316 I317	V312-D316 HydrophobicContact CG1-CB 4.2Å; V312-I317 HydrophobicContact CG1-CD1 3.94Å; V312-I317 HydrophobicContact CG1-CG1 3.64Å
313	K	94.9	Very high	93.7	Very high	13 Å²	13	53.6 Å²	53.6	6%	0.057	30%	0.303	C	S	.	.			trans	-104.8	159.2	176.5	-55.7	176.1	-62.2	-51.8	0	111.4	L174 K175 V309 Y311 I315 D316 I317	L174-K313 HydrophobicContact CB-CD 4.1Å; L174-K313 WeakPolarHBondContact O-CG 3.28Å; K175-K313 CarbonylContact O-C 3.54Å; K175-K313 VanDerWaalsContact O-CA 3.29Å; K175-K313 WeakPolarHBondContact O-CA 3.48Å; V309-K313 HydrophobicContact CG2-CD 3.86Å; V309-K313 HydrophobicContact CG2-CG 4.19Å; Y311-K313 HydrophobicContact CD2-CG 4.35Å; Y311-K313 HydrophobicContact CE2-CG 4.25Å; K313-I315 VanDerWaalsContact C-N 3.26Å; K313-I315 HydrophobicContact CB-CG2 4.19Å; K313-I315 PolarHBondContact O-N 3.04Å; K313-D316 WeakPolarHBondContact CB-OD2 3.33Å; K313-D316 PolarHBondContact N-OD2 2.91Å; K313-D316 IonicContact NZ-OD1 2.99Å; K313-D316 PolarHBondContact NZ-OD1 3.41Å; K313-D316 IonicContact NZ-OD2 2.63Å; K313-D316 PolarHBondContact NZ-OD2 3.45Å; K313-D316 WeakPolarHBondContact O-CB 3.4Å; K313-D316 PolarHBondContact O-N 3.05Å; K313-I317 PolarHBondContact O-N 3.34Å
314	A	95	Very high	94.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-38.3	176.9	0	0	0	0	0	113.3	K175 F177 W318 Y436 Y440	K175-A314 PolarHBondContact O-N 2.63Å; F177-A314 WeakPolarHBondContact O-CB 3.23Å; A314-W318 PolarHBondContact O-N 3.16Å; A314-Y436 VanDerWaalsContact C-OH 3.29Å; A314-Y436 PolarHBondContact O-OH 3.24Å; A314-Y440 HydrophobicContact CB-CD1 3.89Å; A314-Y440 HydrophobicContact CB-CD2 4.33Å; A314-Y440 HydrophobicContact CB-CE1 3.37Å; A314-Y440 HydrophobicContact CB-CE2 3.86Å; A314-Y440 HydrophobicContact CB-CG 4.36Å
315	I	94.8	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-33.5	173.2	-166.5	59.6	0	0	0	113.1	F177 M259 Y260 K313 I317 W318 M319	F177-I315 HydrophobicContact CD1-CB 4.15Å; F177-I315 HydrophobicContact CD1-CG2 3.66Å; F177-I315 HydrophobicContact CE1-CB 4.43Å; F177-I315 HydrophobicContact CE1-CG2 4.04Å; F177-I315 PolarHBondContact O-N 3.46Å; F177-I315 VanDerWaalsContact O-N 3.13Å; M259-I315 HydrophobicContact CB-CD1 4.4Å; M259-I315 HydrophobicContact SD-CD1 4.21Å; M259-I315 HydrophobicContact SD-CG1 4.3Å; Y260-I315 HydrophobicContact CE2-CD1 4.31Å; K313-I315 VanDerWaalsContact C-N 3.26Å; K313-I315 HydrophobicContact CB-CG2 4.19Å; K313-I315 PolarHBondContact O-N 3.04Å; I315-I317 VanDerWaalsContact C-N 3.35Å; I315-W318 PolarHBondContact O-N 2.97Å; I315-M319 HydrophobicContact CD1-CG 4.36Å; I315-M319 HydrophobicContact CG1-CG 4.3Å; I315-M319 VanDerWaalsContact O-CG 3.29Å; I315-M319 WeakPolarHBondContact O-CG 3.42Å; I315-M319 PolarHBondContact O-N 3.18Å
316	D	94.7	Very high	95.2	Very high	35 Å²	35	46.8 Å²	46.8	19%	0.187	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-39.7	179.6	-55.9	-42.5	0	0	0	110.1	V312 K313 M319 A320	V312-D316 HydrophobicContact CG1-CB 4.2Å; K313-D316 WeakPolarHBondContact CB-OD2 3.33Å; K313-D316 PolarHBondContact N-OD2 2.91Å; K313-D316 IonicContact NZ-OD1 2.99Å; K313-D316 PolarHBondContact NZ-OD1 3.41Å; K313-D316 IonicContact NZ-OD2 2.63Å; K313-D316 PolarHBondContact NZ-OD2 3.45Å; K313-D316 WeakPolarHBondContact O-CB 3.4Å; K313-D316 PolarHBondContact O-N 3.05Å; D316-M319 PolarHBondContact O-N 3.3Å; D316-A320 WeakPolarHBondContact O-CB 3.39Å; D316-A320 PolarHBondContact O-N 3.23Å
317	I	96.1	Very high	95.5	Very high	64 Å²	64	50.6 Å²	50.6	33%	0.328	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-47	174.4	-69.4	161.2	0	0	0	110.4	V312 K313 I315 A320 V321 Y436 Y440	V312-I317 HydrophobicContact CG1-CD1 3.94Å; V312-I317 HydrophobicContact CG1-CG1 3.64Å; K313-I317 PolarHBondContact O-N 3.34Å; I315-I317 VanDerWaalsContact C-N 3.35Å; I317-A320 PolarHBondContact O-N 2.79Å; I317-V321 WeakPolarHBondContact O-CG2 3.35Å; I317-V321 PolarHBondContact O-N 3.29Å; I317-Y436 HydrophobicContact CG2-CE2 4.45Å; I317-Y440 WeakPolarHBondContact CD1-OH 3.49Å
318	W	96.8	Very high	95.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.8	-51.7	176.3	176.2	-93.1	0	0	0	112.1	Y260 S263 L264 A314 I315 V321 C322 F429 F432 N433 Y436	Y260-W318 AromaticContact CD1-CD2 3.59Å; Y260-W318 HydrophobicContact CD1-CD2 3.59Å; Y260-W318 AromaticContact CD1-CE2 3.46Å; Y260-W318 VanDerWaalsContact CD1-CE2 3.46Å; Y260-W318 AromaticContact CD1-CE3 4Å; Y260-W318 HydrophobicContact CD1-CE3 4Å; Y260-W318 HydrophobicContact CD1-CG 4.04Å; Y260-W318 HydrophobicContact CD1-CH2 4.16Å; Y260-W318 AromaticContact CD1-CZ2 3.78Å; Y260-W318 HydrophobicContact CD1-CZ2 3.78Å; Y260-W318 HydrophobicContact CD1-CZ3 4.26Å; Y260-W318 AromaticContact CD1-NE1 3.76Å; Y260-W318 HydrophobicContact CE1-CB 4.29Å; Y260-W318 AromaticContact CE1-CD2 3.54Å; Y260-W318 HydrophobicContact CE1-CD2 3.54Å; Y260-W318 AromaticContact CE1-CE2 3.93Å; Y260-W318 AromaticContact CE1-CE3 3.85Å; Y260-W318 HydrophobicContact CE1-CE3 3.85Å; Y260-W318 AromaticContact CE1-CG 3.7Å; Y260-W318 HydrophobicContact CE1-CG 3.7Å; Y260-W318 HydrophobicContact CE1-CZ3 4.46Å; S263-W318 PolarHBondContact OG-NE1 3.25Å; L264-W318 HydrophobicContact CD2-CH2 3.7Å; L264-W318 HydrophobicContact CD2-CZ2 3.81Å; L264-W318 HydrophobicContact CG-CH2 4.18Å; L264-W318 HydrophobicContact CG-CZ2 3.91Å; A314-W318 PolarHBondContact O-N 3.16Å; I315-W318 PolarHBondContact O-N 2.97Å; W318-V321 PolarHBondContact O-N 3.16Å; W318-C322 WeakPolarHBondContact O-CB 3.38Å; W318-C322 PolarHBondContact O-N 3.35Å; W318-C322 PolarHBondContact O-SG 2.98Å; W318-F429 HydrophobicContact CH2-CZ 4.48Å; W318-F432 AromaticContact CE3-CE1 3.7Å; W318-F432 HydrophobicContact CE3-CE1 3.7Å; W318-F432 AromaticContact CE3-CZ 3.98Å; W318-F432 HydrophobicContact CE3-CZ 3.98Å; W318-F432 AromaticContact CZ3-CE1 3.73Å; W318-F432 HydrophobicContact CZ3-CE1 3.73Å; W318-F432 HydrophobicContact CZ3-CZ 4.39Å; W318-N433 VanDerWaalsContact CH2-OD1 3.3Å; W318-N433 WeakPolarHBondContact CH2-OD1 3.27Å; W318-Y436 HydrophobicContact CB-CE2 3.95Å; W318-Y436 AromaticContact CE3-CD1 3.82Å; W318-Y436 HydrophobicContact CE3-CD1 3.82Å; W318-Y436 HydrophobicContact CE3-CD2 4.21Å; W318-Y436 AromaticContact CE3-CE1 3.87Å; W318-Y436 HydrophobicContact CE3-CE1 3.87Å; W318-Y436 HydrophobicContact CE3-CE2 4.24Å; W318-Y436 HydrophobicContact CE3-CG 4.01Å; W318-Y436 HydrophobicContact CZ3-CD1 4.14Å; W318-Y436 HydrophobicContact CZ3-CG 4.39Å
319	M	96	Very high	95.8	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-67.5	-36.9	-178.6	-63.6	-57.2	-120.8	0	0	112.2	M295 Q298 I315 D316 L323	M295-M319 HydrophobicContact CE-CB 4.06Å; M295-M319 HydrophobicContact CE-CE 4.26Å; M295-M319 HydrophobicContact CE-CG 4.34Å; M295-M319 WeakPolarHBondContact CE-O 3.16Å; M295-M319 HydrophobicContact CE-SD 3.4Å; M295-M319 WeakPolarHBondContact CE-SD 3.35Å; Q298-M319 HydrophobicContact CB-CE 4Å; Q298-M319 HydrophobicContact CG-CE 3.67Å; I315-M319 HydrophobicContact CD1-CG 4.36Å; I315-M319 HydrophobicContact CG1-CG 4.3Å; I315-M319 VanDerWaalsContact O-CG 3.29Å; I315-M319 WeakPolarHBondContact O-CG 3.42Å; I315-M319 PolarHBondContact O-N 3.18Å; D316-M319 PolarHBondContact O-N 3.3Å; M319-L323 VanDerWaalsContact O-CB 3.26Å; M319-L323 WeakPolarHBondContact O-CB 3.39Å; M319-L323 PolarHBondContact O-N 2.89Å
320	A	96.6	Very high	95.8	Very high	58 Å²	58	41.6 Å²	41.6	48%	0.479	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-43	177.3	0	0	0	0	0	112.1	D316 I317 L323 L324	D316-A320 WeakPolarHBondContact O-CB 3.39Å; D316-A320 PolarHBondContact O-N 3.23Å; I317-A320 PolarHBondContact O-N 2.79Å; A320-L323 PolarHBondContact O-N 3.46Å; A320-L324 WeakPolarHBondContact O-CB 3.29Å; A320-L324 PolarHBondContact O-N 3.17Å
321	V	97.3	Very high	95.9	Very high	34 Å²	34	39.9 Å²	39.9	21%	0.206	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-45.7	176.3	173.7	0	0	0	0	110.7	I317 W318 L323 L324 F325 F432	I317-V321 WeakPolarHBondContact O-CG2 3.35Å; I317-V321 PolarHBondContact O-N 3.29Å; W318-V321 PolarHBondContact O-N 3.16Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 3.17Å; V321-L324 WeakPolarHBondContact O-CB 3.41Å; V321-L324 PolarHBondContact O-N 2.85Å; V321-L324 VanDerWaalsContact O-N 3.12Å; V321-F325 HydrophobicContact CG1-CD2 3.77Å; V321-F325 HydrophobicContact CG1-CE2 3.68Å; V321-F325 WeakPolarHBondContact O-CD2 3.27Å; V321-F325 PolarHBondContact O-N 2.96Å; V321-F432 HydrophobicContact CB-CE1 4.08Å; V321-F432 HydrophobicContact CB-CE2 3.95Å; V321-F432 HydrophobicContact CB-CZ 3.71Å; V321-F432 HydrophobicContact CG1-CD1 3.77Å; V321-F432 HydrophobicContact CG1-CD2 3.86Å; V321-F432 HydrophobicContact CG1-CE1 3.69Å; V321-F432 HydrophobicContact CG1-CE2 3.79Å; V321-F432 HydrophobicContact CG1-CG 3.85Å; V321-F432 HydrophobicContact CG1-CZ 3.7Å; V321-F432 HydrophobicContact CG2-CD2 4.42Å; V321-F432 HydrophobicContact CG2-CE2 3.8Å; V321-F432 HydrophobicContact CG2-CZ 4.01Å
322	C	97.7	Very high	95.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-41.7	176	-68	0	0	0	0	112.1	V267 M295 W318 L324 F325 V326	V267-C322 HydrophobicContact CG2-CB 3.72Å; M295-C322 HydrophobicContact CE-CB 3.46Å; M295-C322 VanDerWaalsContact CE-CB 3.46Å; M295-C322 HydrophobicContact SD-CB 3.91Å; W318-C322 WeakPolarHBondContact O-CB 3.38Å; W318-C322 PolarHBondContact O-N 3.35Å; W318-C322 PolarHBondContact O-SG 2.98Å; C322-L324 PolarHBondContact O-N 3.3Å; C322-F325 PolarHBondContact O-N 3.06Å; C322-V326 WeakPolarHBondContact O-CG2 3.44Å; C322-V326 PolarHBondContact O-N 3.38Å; C322-V326 VanDerWaalsContact O-N 3.12Å
323	L	96.9	Very high	95.8	Very high	55 Å²	55	32.8 Å²	32.8	29%	0.288	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-41.7	173.7	-177.5	65.3	0	0	0	112.1	V292 M295 M319 A320 V321 V326 F327	V292-L323 HydrophobicContact CG1-CD1 4.28Å; M295-L323 HydrophobicContact CB-CD1 4.1Å; M295-L323 HydrophobicContact CG-CB 4.03Å; M295-L323 HydrophobicContact CG-CD1 4.01Å; M319-L323 VanDerWaalsContact O-CB 3.26Å; M319-L323 WeakPolarHBondContact O-CB 3.39Å; M319-L323 PolarHBondContact O-N 2.89Å; A320-L323 PolarHBondContact O-N 3.46Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 3.17Å; L323-V326 PolarHBondContact O-N 3.47Å; L323-F327 VanDerWaalsContact O-CB 3.27Å; L323-F327 WeakPolarHBondContact O-CB 3.4Å; L323-F327 PolarHBondContact O-N 3.1Å
324	L	97.3	Very high	95.7	Very high	106 Å²	106	34.4 Å²	34.4	56%	0.555	19%	0.194	S	C	*	.	H	α-helix	trans	-60.1	-45.8	175.6	-177.8	66.4	0	0	0	111.5	A320 V321 C322 V326 F327 S328	A320-L324 WeakPolarHBondContact O-CB 3.29Å; A320-L324 PolarHBondContact O-N 3.17Å; V321-L324 WeakPolarHBondContact O-CB 3.41Å; V321-L324 PolarHBondContact O-N 2.85Å; V321-L324 VanDerWaalsContact O-N 3.12Å; C322-L324 PolarHBondContact O-N 3.3Å; L324-V326 PolarHBondContact O-N 2.9Å; L324-F327 PolarHBondContact O-N 3.08Å; L324-S328 VanDerWaalsContact O-CB 3.31Å; L324-S328 WeakPolarHBondContact O-CB 3.47Å; L324-S328 PolarHBondContact O-N 3.41Å; L324-S328 PolarHBondContact O-OG 3.34Å
325	F	97.1	Very high	95.5	Very high	27 Å²	27	36.4 Å²	36.4	12%	0.118	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-46.5	177.3	-89.6	-85.5	0	0	0	112.7	V267 V321 C322 S328 A329 F425 V428 F429	V267-F325 HydrophobicContact CG1-CB 4.22Å; V321-F325 HydrophobicContact CG1-CD2 3.77Å; V321-F325 HydrophobicContact CG1-CE2 3.68Å; V321-F325 WeakPolarHBondContact O-CD2 3.27Å; V321-F325 PolarHBondContact O-N 2.96Å; C322-F325 PolarHBondContact O-N 3.06Å; F325-S328 PolarHBondContact O-N 2.98Å; F325-A329 PolarHBondContact O-N 3.12Å; F325-F425 HydrophobicContact CD1-CD1 4.06Å; F325-V428 HydrophobicContact CE1-CB 4.36Å; F325-V428 HydrophobicContact CE1-CG1 4.49Å; F325-V428 HydrophobicContact CZ-CB 4.23Å; F325-V428 HydrophobicContact CZ-CG1 3.96Å; F325-F429 HydrophobicContact CD1-CB 4.29Å; F325-F429 HydrophobicContact CD1-CD2 4.35Å; F325-F429 AromaticContact CD2-CD2 3.66Å; F325-F429 HydrophobicContact CD2-CD2 3.66Å; F325-F429 HydrophobicContact CD2-CE2 4.23Å; F325-F429 HydrophobicContact CE1-CB 3.79Å; F325-F429 HydrophobicContact CE1-CD2 4.33Å; F325-F429 HydrophobicContact CE2-CB 4.4Å; F325-F429 AromaticContact CE2-CD2 3.65Å; F325-F429 HydrophobicContact CE2-CD2 3.65Å; F325-F429 HydrophobicContact CG-CD2 4.03Å; F325-F429 HydrophobicContact CZ-CB 3.85Å; F325-F429 AromaticContact CZ-CD2 3.99Å; F325-F429 HydrophobicContact CZ-CD2 3.99Å; F325-F429 HydrophobicContact CZ-CG 4.43Å
326	V	97.1	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-40.9	180	177.8	0	0	0	0	111	I266 V267 T291 V292 C322 L323 L324 A329 L330	I266-V326 HydrophobicContact CG2-CG2 4.21Å; V267-V326 HydrophobicContact CG2-CG2 3.96Å; T291-V326 VanDerWaalsContact CB-CG1 3.5Å; T291-V326 WeakPolarHBondContact OG1-CG1 3.31Å; V292-V326 HydrophobicContact CB-CG1 4.46Å; V292-V326 HydrophobicContact CG2-CG1 3.77Å; C322-V326 WeakPolarHBondContact O-CG2 3.44Å; C322-V326 PolarHBondContact O-N 3.38Å; C322-V326 VanDerWaalsContact O-N 3.12Å; L323-V326 PolarHBondContact O-N 3.47Å; L324-V326 PolarHBondContact O-N 2.9Å; V326-A329 PolarHBondContact O-N 3.5Å; V326-L330 PolarHBondContact O-N 2.9Å
327	F	96.7	Very high	94.9	Very high	96 Å²	96	36.4 Å²	36.4	42%	0.421	21%	0.211	S	C	.	.	H	α-helix	trans	-65.4	-39.9	173.9	-176.7	-110.8	0	0	0	112.3	L323 L324 A329 L330 L331	L323-F327 VanDerWaalsContact O-CB 3.27Å; L323-F327 WeakPolarHBondContact O-CB 3.4Å; L323-F327 PolarHBondContact O-N 3.1Å; L324-F327 PolarHBondContact O-N 3.08Å; F327-A329 VanDerWaalsContact C-N 3.3Å; F327-A329 PolarHBondContact O-N 2.94Å; F327-L330 WeakPolarHBondContact O-CB 3.44Å; F327-L330 PolarHBondContact O-N 3.02Å; F327-L330 VanDerWaalsContact O-N 3.13Å; F327-L331 HydrophobicContact CD1-CD1 3.93Å; F327-L331 HydrophobicContact CD1-CG 4.28Å; F327-L331 HydrophobicContact CE1-CD1 3.56Å; F327-L331 HydrophobicContact CE1-CD2 4.34Å; F327-L331 HydrophobicContact CE1-CG 3.97Å; F327-L331 HydrophobicContact CZ-CD1 4.21Å; F327-L331 HydrophobicContact CZ-CD2 4.15Å; F327-L331 HydrophobicContact CZ-CG 4.19Å; F327-L331 PolarHBondContact O-N 3.31Å
328	S	96.1	Very high	94.6	Very high	39 Å²	39	38.9 Å²	38.9	27%	0.273	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-33.3	174.7	-68.6	0	0	0	0	112.7	L324 F325 L331 E332	L324-S328 VanDerWaalsContact O-CB 3.31Å; L324-S328 WeakPolarHBondContact O-CB 3.47Å; L324-S328 PolarHBondContact O-N 3.41Å; L324-S328 PolarHBondContact O-OG 3.34Å; F325-S328 PolarHBondContact O-N 2.98Å; S328-L331 PolarHBondContact O-N 3.12Å; S328-E332 WeakPolarHBondContact O-CB 3.34Å; S328-E332 PolarHBondContact O-N 3.5Å
329	A	94.6	Very high	94.1	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-35.6	172.7	0	0	0	0	0	112.4	F274 F325 V326 F327 Y333 F425	F274-A329 HydrophobicContact CE1-CB 4.03Å; F274-A329 HydrophobicContact CZ-CB 3.78Å; F325-A329 PolarHBondContact O-N 3.12Å; V326-A329 PolarHBondContact O-N 3.5Å; F327-A329 VanDerWaalsContact C-N 3.3Å; F327-A329 PolarHBondContact O-N 2.94Å; A329-Y333 PolarHBondContact O-N 3.27Å; A329-F425 HydrophobicContact CB-CE1 4.28Å
330	L	94.3	Very high	93.4	Very high	40 Å²	40	41.9 Å²	41.9	21%	0.209	24%	0.24	C	C	.	.	H	α-helix	trans	-68.7	-40.2	172.7	-179.1	67.9	0	0	0	112	I289 V292 V326 F327 Y333 A334	I289-L330 HydrophobicContact CG1-CD1 4.5Å; I289-L330 HydrophobicContact CG1-CD2 4.49Å; V292-L330 HydrophobicContact CG2-CD2 4.47Å; V326-L330 PolarHBondContact O-N 2.9Å; F327-L330 WeakPolarHBondContact O-CB 3.44Å; F327-L330 PolarHBondContact O-N 3.02Å; F327-L330 VanDerWaalsContact O-N 3.13Å; L330-Y333 PolarHBondContact O-N 3.23Å; L330-A334 PolarHBondContact O-N 3.21Å
331	L	94.8	Very high	92.7	Very high	92 Å²	92	46.2 Å²	46.2	48%	0.482	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-37.7	174.7	-71	-178.5	0	0	0	112.8	F327 S328 A334 A335	F327-L331 HydrophobicContact CD1-CD1 3.93Å; F327-L331 HydrophobicContact CD1-CG 4.28Å; F327-L331 HydrophobicContact CE1-CD1 3.56Å; F327-L331 HydrophobicContact CE1-CD2 4.34Å; F327-L331 HydrophobicContact CE1-CG 3.97Å; F327-L331 HydrophobicContact CZ-CD1 4.21Å; F327-L331 HydrophobicContact CZ-CD2 4.15Å; F327-L331 HydrophobicContact CZ-CG 4.19Å; F327-L331 PolarHBondContact O-N 3.31Å; S328-L331 PolarHBondContact O-N 3.12Å; L331-A334 WeakPolarHBondContact O-CB 3.27Å; L331-A334 PolarHBondContact O-N 3.46Å; L331-A335 PolarHBondContact O-N 2.93Å
332	E	95	Very high	91.8	Very high	15 Å²	15	50 Å²	50	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-51	173.8	-173.9	-82.4	172.9	0	0	110.6	F274 R284 S328 A334 A335 V336 I417 S421 F425	F274-E332 HydrophobicContact CD1-CG 4.37Å; F274-E332 WeakPolarHBondContact CD1-OE2 3.48Å; F274-E332 HydrophobicContact CE1-CB 4.12Å; F274-E332 HydrophobicContact CE1-CG 3.85Å; R284-E332 IonicContact NH2-OE1 3.81Å; R284-E332 IonicContact NH2-OE2 2.78Å; R284-E332 PolarHBondContact NH2-OE2 3.04Å; S328-E332 WeakPolarHBondContact O-CB 3.34Å; S328-E332 PolarHBondContact O-N 3.5Å; E332-A334 VanDerWaalsContact C-N 3.33Å; E332-A334 PolarHBondContact O-N 2.78Å; E332-A335 WeakPolarHBondContact O-CB 3.45Å; E332-A335 PolarHBondContact O-N 3.17Å; E332-V336 WeakPolarHBondContact O-CG2 3.39Å; E332-V336 PolarHBondContact O-N 3.14Å; E332-I417 HydrophobicContact CG-CG2 4.25Å; E332-S421 VanDerWaalsContact CG-OG 3.27Å; E332-S421 WeakPolarHBondContact CG-OG 3.29Å; E332-S421 PolarHBondContact OE1-OG 3.03Å; E332-F425 HydrophobicContact CB-CZ 4.43Å
333	Y	92.1	Very high	90.6	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.027	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-38.3	176.7	167.9	-102	0	0	0	112.1	A281 R284 V285 A329 L330 A335 V336 N337	A281-Y333 VanDerWaalsContact CA-OH 3.26Å; A281-Y333 WeakPolarHBondContact CA-OH 3.49Å; A281-Y333 WeakPolarHBondContact CB-OH 3.3Å; R284-Y333 HydrophobicContact CB-CD1 4.28Å; R284-Y333 HydrophobicContact CB-CD2 3.66Å; R284-Y333 HydrophobicContact CB-CE1 4.43Å; R284-Y333 HydrophobicContact CB-CE2 3.79Å; R284-Y333 HydrophobicContact CB-CG 3.89Å; R284-Y333 HydrophobicContact CG-CD2 4.18Å; R284-Y333 HydrophobicContact CG-CE2 4.41Å; V285-Y333 HydrophobicContact CG2-CD1 4.12Å; V285-Y333 HydrophobicContact CG2-CE1 3.33Å; A329-Y333 PolarHBondContact O-N 3.27Å; L330-Y333 PolarHBondContact O-N 3.23Å; Y333-A335 VanDerWaalsContact C-N 3.3Å; Y333-A335 PolarHBondContact O-N 3.25Å; Y333-V336 PolarHBondContact O-N 3.29Å; Y333-N337 HydrophobicContact CE1-CB 4.25Å; Y333-N337 HydrophobicContact CE2-CB 4.02Å; Y333-N337 VanDerWaalsContact O-CB 3.23Å; Y333-N337 WeakPolarHBondContact O-CB 3.35Å; Y333-N337 PolarHBondContact O-N 3.11Å
334	A	91.9	Very high	89.5	Confident	47 Å²	47	54.7 Å²	54.7	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-41.6	175.2	0	0	0	0	0	111.7	L330 L331 E332 F338	L330-A334 PolarHBondContact O-N 3.21Å; L331-A334 WeakPolarHBondContact O-CB 3.27Å; L331-A334 PolarHBondContact O-N 3.46Å; E332-A334 VanDerWaalsContact C-N 3.33Å; E332-A334 PolarHBondContact O-N 2.78Å; A334-F338 VanDerWaalsContact O-CB 3.3Å; A334-F338 WeakPolarHBondContact O-CB 3.34Å; A334-F338 PolarHBondContact O-N 2.71Å
335	A	91.1	Very high	88.5	Confident	43 Å²	43	54.9 Å²	54.9	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-66.5	-44.9	175	0	0	0	0	0	112.5	L331 E332 Y333 F338 I339	L331-A335 PolarHBondContact O-N 2.93Å; E332-A335 WeakPolarHBondContact O-CB 3.45Å; E332-A335 PolarHBondContact O-N 3.17Å; Y333-A335 VanDerWaalsContact C-N 3.3Å; Y333-A335 PolarHBondContact O-N 3.25Å; A335-F338 PolarHBondContact O-N 3.4Å; A335-I339 VanDerWaalsContact O-CG1 3.31Å; A335-I339 WeakPolarHBondContact O-CG1 3.27Å; A335-I339 PolarHBondContact O-N 2.97Å
336	V	89.5	Confident	87.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.6	-47.7	176.1	171.1	0	0	0	0	111	M278 E332 Y333 I339 A340 I417	M278-V336 HydrophobicContact CB-CG1 3.98Å; M278-V336 HydrophobicContact CE-CG1 4.08Å; E332-V336 WeakPolarHBondContact O-CG2 3.39Å; E332-V336 PolarHBondContact O-N 3.14Å; Y333-V336 PolarHBondContact O-N 3.29Å; V336-I339 PolarHBondContact O-N 3.45Å; V336-A340 WeakPolarHBondContact O-CB 3.33Å; V336-A340 PolarHBondContact O-N 2.76Å; V336-I417 HydrophobicContact CG2-CB 4.09Å; V336-I417 HydrophobicContact CG2-CG2 3.8Å
337	N	89.1	Confident	86.1	Confident	35 Å²	35	58.7 Å²	58.7	19%	0.187	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-39.2	177.6	178.7	28.7	0	0	0	112	Y333 A340 R341	Y333-N337 HydrophobicContact CE1-CB 4.25Å; Y333-N337 HydrophobicContact CE2-CB 4.02Å; Y333-N337 VanDerWaalsContact O-CB 3.23Å; Y333-N337 WeakPolarHBondContact O-CB 3.35Å; Y333-N337 PolarHBondContact O-N 3.11Å; N337-A340 PolarHBondContact O-N 3.47Å; N337-R341 WeakPolarHBondContact O-CB 3.45Å; N337-R341 VanDerWaalsContact O-CG 3.25Å; N337-R341 WeakPolarHBondContact O-CG 3.22Å; N337-R341 PolarHBondContact O-N 2.69Å; N337-R341 WeakPolarHBondContact OD1-CD 3.47Å; N337-R341 PolarHBondContact OD1-NE 3.11Å
338	F	88.6	Confident	85.1	Confident	115 Å²	115	61.3 Å²	61.3	50%	0.504	30%	0.304	S	S	.	.	H	α-helix	trans	-62	-47.4	174.9	179.1	-99	0	0	0	112	A334 A335 A340 R341 Q342	A334-F338 VanDerWaalsContact O-CB 3.3Å; A334-F338 WeakPolarHBondContact O-CB 3.34Å; A334-F338 PolarHBondContact O-N 2.71Å; A335-F338 PolarHBondContact O-N 3.4Å; F338-A340 VanDerWaalsContact C-N 3.34Å; F338-A340 PolarHBondContact O-N 3.41Å; F338-R341 PolarHBondContact O-N 3.17Å; F338-Q342 HydrophobicContact CD1-CG 4.39Å; F338-Q342 VanDerWaalsContact CE1-CD 3.48Å; F338-Q342 HydrophobicContact CE1-CG 3.89Å; F338-Q342 HydrophobicContact CE2-CG 4.22Å; F338-Q342 HydrophobicContact CZ-CG 3.8Å; F338-Q342 PolarHBondContact O-N 2.96Å
339	I	85.7	Confident	84.1	Confident	32 Å²	32	66 Å²	66	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-43.3	176.7	-67.6	165.6	0	0	0	110.6	A335 V336 R341 H343 A414 I417	A335-I339 VanDerWaalsContact O-CG1 3.31Å; A335-I339 WeakPolarHBondContact O-CG1 3.27Å; A335-I339 PolarHBondContact O-N 2.97Å; V336-I339 PolarHBondContact O-N 3.45Å; I339-R341 PolarHBondContact O-N 3.17Å; I339-H343 WeakPolarHBondContact O-CB 3.26Å; I339-H343 PolarHBondContact O-N 3.42Å; I339-A414 HydrophobicContact CG2-CB 4.41Å; I339-I417 HydrophobicContact CD1-CD1 3.53Å
340	A	81.3	Confident	82.9	Confident	34 Å²	34	69.9 Å²	69.9	28%	0.281	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-36	176.5	0	0	0	0	0	113	V336 N337 F338 K344	V336-A340 WeakPolarHBondContact O-CB 3.33Å; V336-A340 PolarHBondContact O-N 2.76Å; N337-A340 PolarHBondContact O-N 3.47Å; F338-A340 VanDerWaalsContact C-N 3.34Å; F338-A340 PolarHBondContact O-N 3.41Å; A340-K344 PolarHBondContact O-N 3.18Å; A340-K344 VanDerWaalsContact O-N 3.12Å
341	R	81.8	Confident	81.8	Confident	150 Å²	150	76 Å²	76	57%	0.566	35%	0.354	S	S	*	.	H	α-helix	trans	-73	-47.8	177.7	-77	178.4	-176.2	-141.6	-1	113	N337 F338 I339 H343 K344 E345	N337-R341 WeakPolarHBondContact O-CB 3.45Å; N337-R341 VanDerWaalsContact O-CG 3.25Å; N337-R341 WeakPolarHBondContact O-CG 3.22Å; N337-R341 PolarHBondContact O-N 2.69Å; N337-R341 WeakPolarHBondContact OD1-CD 3.47Å; N337-R341 PolarHBondContact OD1-NE 3.11Å; F338-R341 PolarHBondContact O-N 3.17Å; I339-R341 PolarHBondContact O-N 3.17Å; R341-H343 PolarHBondContact O-N 3.49Å; R341-K344 WeakPolarHBondContact O-CA 3.33Å; R341-K344 WeakPolarHBondContact O-CB 3.32Å; R341-K344 PolarHBondContact O-N 2.99Å; R341-E345 PolarHBondContact O-N 2.98Å
342	Q	79.2	Confident	80.7	Confident	114 Å²	114	80.4 Å²	80.4	53%	0.533	36%	0.364	S	S	.	.	H	α-helix	trans	-53.4	-41.7	174.1	-79.9	-158.2	-39.8	0	0	111.2	F338 E345 L346	F338-Q342 HydrophobicContact CD1-CG 4.39Å; F338-Q342 VanDerWaalsContact CE1-CD 3.48Å; F338-Q342 HydrophobicContact CE1-CG 3.89Å; F338-Q342 HydrophobicContact CE2-CG 4.22Å; F338-Q342 HydrophobicContact CZ-CG 3.8Å; F338-Q342 PolarHBondContact O-N 2.96Å; Q342-E345 PolarHBondContact O-N 3Å; Q342-L346 WeakPolarHBondContact O-CB 3.36Å; Q342-L346 PolarHBondContact O-N 3.33Å
343	H	72.4	Confident	79.5	Confident	28 Å²	28	89.2 Å²	89.2	13%	0.13	40%	0.397	C	S	.	.	H	α-helix	trans	-61.7	-44.1	174.1	163.7	-102	0	0	0	113.1	I339 R341 E345 L347 K407 F410	I339-H343 WeakPolarHBondContact O-CB 3.26Å; I339-H343 PolarHBondContact O-N 3.42Å; R341-H343 PolarHBondContact O-N 3.49Å; H343-E345 VanDerWaalsContact C-N 3.32Å; H343-E345 PolarHBondContact O-N 3.3Å; H343-L347 VanDerWaalsContact CE1-CD1 3.41Å; H343-L347 WeakPolarHBondContact CE1-CD1 3.39Å; H343-L347 VanDerWaalsContact NE2-CD1 3.26Å; H343-L347 WeakPolarHBondContact NE2-CD1 3.39Å; H343-L347 WeakPolarHBondContact O-CB 3.49Å; H343-L347 WeakPolarHBondContact O-CG 3.49Å; H343-L347 PolarHBondContact O-N 3.44Å; H343-K407 WeakPolarHBondContact NE2-CA 3.38Å; H343-K407 WeakPolarHBondContact NE2-CG 3.21Å; H343-F410 HydrophobicContact CB-CB 4.42Å
344	K	74.1	Confident	78.2	Confident	125 Å²	125	96 Å²	96	54%	0.543	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-36	177.4	-167.9	171.6	-175.1	171.1	0	112.3	A340 R341 R348	A340-K344 PolarHBondContact O-N 3.18Å; A340-K344 VanDerWaalsContact O-N 3.12Å; R341-K344 WeakPolarHBondContact O-CA 3.33Å; R341-K344 WeakPolarHBondContact O-CB 3.32Å; R341-K344 PolarHBondContact O-N 2.99Å; K344-R348 VanDerWaalsContact O-CG 3.28Å; K344-R348 WeakPolarHBondContact O-CG 3.32Å; K344-R348 PolarHBondContact O-N 3.43Å
345	E	77.1	Confident	76.9	Confident	110 Å²	110	99.5 Å²	99.5	51%	0.514	43%	0.43	S	S	.	.	H	α-helix	trans	-76	-46.3	176.8	-67.3	-170.2	163.7	0	0	112.7	R341 Q342 H343 L347 R348 F349	R341-E345 PolarHBondContact O-N 2.98Å; Q342-E345 PolarHBondContact O-N 3Å; H343-E345 VanDerWaalsContact C-N 3.32Å; H343-E345 PolarHBondContact O-N 3.3Å; E345-L347 PolarHBondContact O-N 3.08Å; E345-R348 WeakPolarHBondContact O-CA 3.31Å; E345-R348 WeakPolarHBondContact O-CB 3.43Å; E345-R348 PolarHBondContact O-N 3.03Å; E345-F349 VanDerWaalsContact O-CD2 3.27Å; E345-F349 WeakPolarHBondContact O-CD2 3.48Å; E345-F349 PolarHBondContact O-N 2.91Å
346	L	73.1	Confident	75.4	Confident	74 Å²	74	104.7 Å²	104.7	39%	0.387	45%	0.449	S	S	.	.	H	α-helix	trans	-55.9	-39.7	175.3	-176.4	65.8	0	0	0	111.7	Q342 R350	Q342-L346 WeakPolarHBondContact O-CB 3.36Å; Q342-L346 PolarHBondContact O-N 3.33Å; L346-R350 WeakPolarHBondContact O-CB 3.33Å; L346-R350 WeakPolarHBondContact O-CG 3.27Å; L346-R350 PolarHBondContact O-N 2.85Å
347	L	70.4	Confident	74	Confident	32 Å²	32	113.2 Å²	113.2	17%	0.168	49%	0.486	C	S	.	.	H	α-helix	trans	-65	-42.4	172.5	-85.6	167	0	0	0	113.1	H343 E345 R350 R351 I403 K407	H343-L347 VanDerWaalsContact CE1-CD1 3.41Å; H343-L347 WeakPolarHBondContact CE1-CD1 3.39Å; H343-L347 VanDerWaalsContact NE2-CD1 3.26Å; H343-L347 WeakPolarHBondContact NE2-CD1 3.39Å; H343-L347 WeakPolarHBondContact O-CB 3.49Å; H343-L347 WeakPolarHBondContact O-CG 3.49Å; H343-L347 PolarHBondContact O-N 3.44Å; E345-L347 PolarHBondContact O-N 3.08Å; L347-R350 PolarHBondContact O-N 3.34Å; L347-R351 WeakPolarHBondContact O-CB 3.36Å; L347-R351 WeakPolarHBondContact O-CG 3.41Å; L347-R351 PolarHBondContact O-N 2.9Å; L347-I403 HydrophobicContact CD2-CG2 3.35Å; L347-K407 HydrophobicContact CD1-CD 4.33Å
348	R	76.1	Confident	72.5	Confident	152 Å²	152	118.3 Å²	118.3	57%	0.574	51%	0.509	S	S	*	.	H	α-helix	trans	-62.5	-46.5	177.3	-79.9	169.3	166.5	-171	-6.8	111.5	K344 E345 R351 R352	K344-R348 VanDerWaalsContact O-CG 3.28Å; K344-R348 WeakPolarHBondContact O-CG 3.32Å; K344-R348 PolarHBondContact O-N 3.43Å; E345-R348 WeakPolarHBondContact O-CA 3.31Å; E345-R348 WeakPolarHBondContact O-CB 3.43Å; E345-R348 PolarHBondContact O-N 3.03Å; R348-R351 PolarHBondContact O-N 3.05Å; R348-R352 PolarHBondContact O-N 2.75Å
349	F	74.7	Confident	70.7	Confident	136 Å²	136	120.3 Å²	120.3	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-62.4	-45.3	176.3	-77.3	-68.9	0	0	0	112.2	E345 R351 R352 R353	E345-F349 VanDerWaalsContact O-CD2 3.27Å; E345-F349 WeakPolarHBondContact O-CD2 3.48Å; E345-F349 PolarHBondContact O-N 2.91Å; F349-R351 PolarHBondContact O-N 3.12Å; F349-R352 PolarHBondContact O-N 2.98Å; F349-R353 WeakPolarHBondContact O-CB 3.3Å; F349-R353 PolarHBondContact O-N 3.02Å
350	R	67.9	Low	69.2	Low	87 Å²	87	125.5 Å²	125.5	33%	0.328	55%	0.548	S	S	.	.	H	α-helix	trans	-67.2	-32.7	177.6	-72.7	-178.8	168.9	-158.7	-7.9	113.4	L346 L347 R353 R354 I403	L346-R350 WeakPolarHBondContact O-CB 3.33Å; L346-R350 WeakPolarHBondContact O-CG 3.27Å; L346-R350 PolarHBondContact O-N 2.85Å; L347-R350 PolarHBondContact O-N 3.34Å; R350-R353 PolarHBondContact O-N 2.87Å; R350-R354 PolarHBondContact O-N 3.45Å; R350-R354 VanDerWaalsContact O-N 3.15Å; R350-I403 HydrophobicContact CB-CD1 3.84Å
351	R	71.2	Confident	67.4	Low	169 Å²	169	129.2 Å²	129.2	64%	0.638	57%	0.569	S	S	*	*	H	α-helix	trans	-66.7	-46.1	171.8	-79.4	-177.5	178.2	-169.1	-3.6	112.1	L347 R348 F349 R353 R354 H355	L347-R351 WeakPolarHBondContact O-CB 3.36Å; L347-R351 WeakPolarHBondContact O-CG 3.41Å; L347-R351 PolarHBondContact O-N 2.9Å; R348-R351 PolarHBondContact O-N 3.05Å; F349-R351 PolarHBondContact O-N 3.12Å; R351-R353 VanDerWaalsContact C-N 3.28Å; R351-R353 PolarHBondContact O-N 2.99Å; R351-R354 PolarHBondContact O-N 2.78Å; R351-R354 VanDerWaalsContact O-N 3.09Å; R351-H355 PolarHBondContact O-N 2.99Å; R351-H355 VanDerWaalsContact O-N 3.11Å
352	R	72.4	Confident	65.6	Low	183 Å²	183	125.1 Å²	125.1	69%	0.691	57%	0.573	S	S	*	*	H	α-helix	trans	-56	-43.8	173.2	-76.3	-178.2	174	178.2	-3.3	111.5	R348 F349 R354 H355 M356	R348-R352 PolarHBondContact O-N 2.75Å; F349-R352 PolarHBondContact O-N 2.98Å; R352-R354 VanDerWaalsContact C-N 3.27Å; R352-R354 PolarHBondContact O-N 2.75Å; R352-H355 PolarHBondContact O-N 3.32Å; R352-M356 WeakPolarHBondContact O-CB 3.43Å; R352-M356 PolarHBondContact O-N 2.88Å
353	R	69.6	Low	64.1	Low	201 Å²	201	127.5 Å²	127.5	76%	0.758	59%	0.59	S	S	*	*	H	α-helix	trans	-69.8	-16.5	178.6	-154.4	178.6	-171.1	-170.8	3.8	114.4	F349 R350 R351	F349-R353 WeakPolarHBondContact O-CB 3.3Å; F349-R353 PolarHBondContact O-N 3.02Å; R350-R353 PolarHBondContact O-N 2.87Å; R351-R353 VanDerWaalsContact C-N 3.28Å; R351-R353 PolarHBondContact O-N 2.99Å
354	R	64.4	Low	62.4	Low	149 Å²	149	129 Å²	129	56%	0.562	61%	0.613	S	S	*	*	H	α-helix	trans	-82.9	-47.9	169.7	-79.3	-171.3	178.8	-172.7	-2.8	111.8	R350 R351 R352 M356 K357 E358	R350-R354 PolarHBondContact O-N 3.45Å; R350-R354 VanDerWaalsContact O-N 3.15Å; R351-R354 PolarHBondContact O-N 2.78Å; R351-R354 VanDerWaalsContact O-N 3.09Å; R352-R354 VanDerWaalsContact C-N 3.27Å; R352-R354 PolarHBondContact O-N 2.75Å; R354-M356 VanDerWaalsContact C-N 3.3Å; R354-M356 PolarHBondContact O-N 3.35Å; R354-K357 CarbonylContact O-C 3.52Å; R354-K357 WeakPolarHBondContact O-CA 3.48Å; R354-K357 WeakPolarHBondContact O-CB 3.35Å; R354-K357 PolarHBondContact O-N 2.78Å; R354-E358 PolarHBondContact O-N 3.4Å; R354-E358 VanDerWaalsContact O-N 3.11Å
355	H	64.4	Low	60.8	Low	121 Å²	121	134.1 Å²	134.1	56%	0.56	63%	0.629	S	S	*	*	H	α-helix	trans	-54.4	-47	174.4	-93.6	-79.3	0	0	0	111.8	R351 R352 K357 E358 E359	R351-H355 PolarHBondContact O-N 2.99Å; R351-H355 VanDerWaalsContact O-N 3.11Å; R352-H355 PolarHBondContact O-N 3.32Å; H355-K357 PolarHBondContact O-N 2.81Å; H355-E358 PolarHBondContact O-N 2.96Å; H355-E359 PolarHBondContact O-N 3.38Å; H355-E359 VanDerWaalsContact O-N 3.11Å
356	M	61.3	Low	58.7	Low	152 Å²	152	138.4 Å²	138.4	75%	0.749	65%	0.647	S	S	*	*	H	α-helix	trans	-65.3	-2.7	176.1	-156	-171.4	117.9	0	0	114.3	R352 R354	R352-M356 WeakPolarHBondContact O-CB 3.43Å; R352-M356 PolarHBondContact O-N 2.88Å; R354-M356 VanDerWaalsContact C-N 3.3Å; R354-M356 PolarHBondContact O-N 3.35Å
357	K	59.9	Low	56.7	Low	179 Å²	179	140.1 Å²	140.1	78%	0.778	66%	0.664	S	S	*	*	H	α-helix	trans	-112.2	-11.8	175.3	-125.5	-171.4	179.8	-165.4	0	112.9	R354 H355	R354-K357 CarbonylContact O-C 3.52Å; R354-K357 WeakPolarHBondContact O-CA 3.48Å; R354-K357 WeakPolarHBondContact O-CB 3.35Å; R354-K357 PolarHBondContact O-N 2.78Å; H355-K357 PolarHBondContact O-N 2.81Å
358	E	56.6	Low	54.8	Low	142 Å²	142	147.8 Å²	147.8	66%	0.664	70%	0.697	S	S	*	*	H	α-helix	trans	-95.8	-21.4	173.1	-74.8	171.4	144.1	0	0	111.4	R354 H355 D360	R354-E358 PolarHBondContact O-N 3.4Å; R354-E358 VanDerWaalsContact O-N 3.11Å; H355-E358 PolarHBondContact O-N 2.96Å; E358-D360 VanDerWaalsContact C-N 3.27Å; E358-D360 PolarHBondContact O-N 3.13Å
359	E	52.1	Low	52.9	Low	157 Å²	157	146 Å²	146	73%	0.734	71%	0.705	S	S	*	*	S	Bend	trans	-80	4.4	174.5	-72	-178.3	165	0	0	114.8	H355 P361	H355-E359 PolarHBondContact O-N 3.38Å; H355-E359 VanDerWaalsContact O-N 3.11Å; E359-P361 VanDerWaalsContact O-CD 3.32Å; E359-P361 WeakPolarHBondContact O-CD 3.31Å
360	D	52.5	Low	50.7	Low	140 Å²	140	142.4 Å²	142.4	75%	0.749	71%	0.706	S	S	*	*			trans	-116.6	71.9	174	-168.5	15.4	0	0	0	112.9	E358	E358-D360 VanDerWaalsContact C-N 3.27Å; E358-D360 PolarHBondContact O-N 3.13Å
361	P	45.1	Very low	49.1	Very low	112 Å²	112	150 Å²	150	73%	0.727	74%	0.736	S	S	*	*			trans	-99.3	101.8	172.5	36.5	-30.7	0	0	0	112.4	E359	E359-P361 VanDerWaalsContact O-CD 3.32Å; E359-P361 WeakPolarHBondContact O-CD 3.31Å
362	G	44.2	Very low	47	Very low	64 Å²	64	145.1 Å²	145.1	66%	0.66	74%	0.739	S	S	*	*			trans	117.3	113.6	145.6	0	0	0	0	0	117.6	G364	G362-G364 PolarHBondContact O-N 3.4Å
363	D	46.2	Very low	45.1	Very low	165 Å²	165	145.7 Å²	145.7	88%	0.882	75%	0.752	S	S	*	*			trans	-54.6	122.9	147.3	175.3	21.1	0	0	0	109.4
364	G	37.1	Very low	43.2	Very low	60 Å²	60	139.6 Å²	139.6	62%	0.619	75%	0.752	S	S	*	*			trans	-136.7	79.8	-168.6	0	0	0	0	0	111.9	G362 F366	G362-G364 PolarHBondContact O-N 3.4Å; G364-F366 PolarHBondContact O-N 3.06Å; G364-F366 VanDerWaalsContact O-N 3.11Å
365	R	40.7	Very low	42.2	Very low	231 Å²	231	138.7 Å²	138.7	87%	0.872	77%	0.765	S	S	*	*			trans	-45.2	115.1	171.1	-74.8	175.3	167.9	178.5	-5	111.7
366	F	33.6	Very low	40.4	Very low	201 Å²	201	137.6 Å²	137.6	88%	0.882	78%	0.777	S	S	*	*			trans	-104.3	111.3	166.1	-125.8	-89.6	0	0	0	110.1	G364	G364-F366 PolarHBondContact O-N 3.06Å; G364-F366 VanDerWaalsContact O-N 3.11Å
367	S	31.3	Very low	38.8	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	78%	0.783	S	S	*	*			trans	-86.5	131.5	176.1	-59.2	0	0	0	0	110.2
368	F	29.7	Very low	37.3	Very low	193 Å²	193	135.9 Å²	135.9	85%	0.846	79%	0.787	S	S	*	*			trans	-118.3	114	178.3	-151.8	-82.6	0	0	0	110.4
369	P	35.7	Very low	36.1	Very low	114 Å²	114	138.1 Å²	138.1	74%	0.74	80%	0.798	S	S	*	*			trans	-90.1	115.5	178.9	32.3	-29.7	0	0	0	112.1
370	G	29.1	Very low	35	Very low	61 Å²	61	135 Å²	135	63%	0.629	80%	0.798	S	S	*	*			trans	57.6	113.3	148.7	0	0	0	0	0	120.3
371	Y	33.1	Very low	33.8	Very low	246 Å²	246	136.8 Å²	136.8	97%	0.965	80%	0.8	S	S	*	*				-173.6	132.5	113.9	-109.6	-76.7	0	0	0	111.6
372	G	28.4	Very low	33	Very low	68 Å²	68	137.8 Å²	137.8	70%	0.701	80%	0.799	S	S	*	*			trans	87.8	122	148.5	0	0	0	0	0	120.3
373	M	31.5	Very low	32.3	Very low	195 Å²	195	138 Å²	138	96%	0.961	80%	0.801	S	S	*	*			trans	67.5	112.8	156.5	-63.9	-85.5	179.9	0	0	118.8
374	G	30.2	Very low	31.4	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	81%	0.805	S	S	*	*			trans	-95	-140.2	161.9	0	0	0	0	0	111.3
375	P	42.9	Very low	31.1	Very low	130 Å²	130	141.3 Å²	141.3	84%	0.844	81%	0.814	S	S	*	*			cis	-134.8	150.8	-12.1	39.7	-24.2	0	0	0	114.9
376	A	27.3	Very low	30.9	Very low	97 Å²	97	138.5 Å²	138.5	80%	0.802	82%	0.815	S	S	*	*			trans	171.3	137.9	156.9	0	0	0	0	0	108.1
377	C	28.5	Very low	30.7	Very low	128 Å²	128	138.7 Å²	138.7	87%	0.865	82%	0.815	S	S	*	*			cis	-131.2	157.4	8.2	-66.7	0	0	0	0	111.8
378	L	28.2	Very low	30.7	Very low	167 Å²	167	137 Å²	137	87%	0.874	82%	0.815	S	S	*	*			trans	-71.1	139	160	-80.4	125.9	0	0	0	110.7
379	Q	30.6	Very low	30.6	Very low	189 Å²	189	134.9 Å²	134.9	88%	0.883	81%	0.812	S	S	*	*				-177.2	146.2	110.7	-96.5	175.2	6.8	0	0	113.4
380	A	29.9	Very low	30.7	Very low	91 Å²	91	135.7 Å²	135.7	75%	0.752	81%	0.81	S	S	*	*			trans	2.5	133.1	162.8	0	0	0	0	0	119.7
381	K	27.2	Very low	30.9	Very low	178 Å²	178	140 Å²	140	77%	0.774	82%	0.819	S	S	*	*			cis	63	134.3	42	-146.2	-142.2	179.9	-131.6	0	112.6
382	D	28.2	Very low	31.2	Very low	134 Å²	134	135.5 Å²	135.5	72%	0.717	81%	0.812	S	S	*	*			cis	-112.3	179.1	-16.3	-73.3	-73.5	0	0	0	107.5
383	G	28.5	Very low	31.3	Very low	68 Å²	68	136.4 Å²	136.4	70%	0.701	81%	0.813	S	S	*	*			cis	163.9	-176	-1.2	0	0	0	0	0	112
384	M	28.1	Very low	31.8	Very low	196 Å²	196	133 Å²	133	97%	0.966	81%	0.805	S	S	*	*			trans	63.2	124	170.6	-72.6	173.6	64.5	0	0	120.7
385	A	30.9	Very low	32	Very low	98 Å²	98	136.3 Å²	136.3	81%	0.81	81%	0.811	S	S	*	*			trans	-95.3	149.2	171.7	0	0	0	0	0	112.1
386	I	34.9	Very low	31.8	Very low	173 Å²	173	135.6 Å²	135.6	89%	0.887	81%	0.809	S	S	*	*			trans	-122.4	142.3	155.8	-68.4	-175	0	0	0	109.5
387	K	30.7	Very low	32.4	Very low	204 Å²	204	135 Å²	135	89%	0.887	80%	0.804	S	S	*	*			trans	-87.9	122.3	-161.9	-175	178.9	-177.9	179.9	0	111.5
388	G	31.2	Very low	33	Very low	73 Å²	73	134.2 Å²	134.2	75%	0.753	80%	0.798	S	S	*	*			trans	24	135.7	154.1	0	0	0	0	0	121.7
389	N	27.8	Very low	33.8	Very low	149 Å²	149	132.1 Å²	132.1	80%	0.797	79%	0.794	S	S	*	*			trans	-134.2	124.8	134.9	-163.9	36.7	0	0	0	110.6
390	N	37	Very low	34.8	Very low	131 Å²	131	132.1 Å²	132.1	70%	0.701	79%	0.794	S	S	*	*			trans	-71.1	141.5	168.9	-76.3	-25.2	0	0	0	109
391	N	33.8	Very low	36	Very low	153 Å²	153	134.1 Å²	134.1	82%	0.818	79%	0.786	S	S	*	*			trans	-146	101.8	149.1	-97.4	-27.6	0	0	0	108.9	A393	N391-A393 PolarHBondContact O-N 3.1Å
392	N	38.8	Very low	37.9	Very low	151 Å²	151	128 Å²	128	81%	0.807	77%	0.765	S	S	*	*			trans	-72.8	118.8	177.4	-66.9	-24.6	0	0	0	109.6
393	A	32.1	Very low	39.7	Very low	87 Å²	87	123.1 Å²	123.1	72%	0.719	74%	0.739	S	S	*	*			trans	-100	114.2	160.4	0	0	0	0	0	108.4	N391 T395	N391-A393 PolarHBondContact O-N 3.1Å; A393-T395 PolarHBondContact O-N 3.44Å; A393-T395 VanDerWaalsContact O-N 3.13Å
394	P	40.5	Very low	41.6	Very low	122 Å²	122	126.2 Å²	126.2	79%	0.792	74%	0.735	S	S	*	*			trans	-77.8	99.3	175.8	30.5	-31.7	0	0	0	109.5	S396	P394-S396 VanDerWaalsContact C-N 3.34Å; P394-S396 PolarHBondContact O-N 3.29Å
395	T	35.1	Very low	43.7	Very low	143 Å²	143	122.1 Å²	122.1	88%	0.877	71%	0.713	S	S	*	*			trans	-66.5	95.4	165.5	7	0	0	0	0	108.8	A393 A397	A393-T395 PolarHBondContact O-N 3.44Å; A393-T395 VanDerWaalsContact O-N 3.13Å; T395-A397 PolarHBondContact O-N 2.96Å
396	S	37.8	Very low	45.5	Very low	115 Å²	115	119.6 Å²	119.6	80%	0.804	69%	0.685	S	S	*	*			trans	-67.7	91	179.6	58.5	0	0	0	0	110.9	P394	P394-S396 VanDerWaalsContact C-N 3.34Å; P394-S396 PolarHBondContact O-N 3.29Å
397	A	40.5	Very low	47.1	Very low	85 Å²	85	115.8 Å²	115.8	70%	0.702	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-58.2	139.2	161.7	0	0	0	0	0	109.1	T395	T395-A397 PolarHBondContact O-N 2.96Å
398	P	40.8	Very low	49.2	Very low	112 Å²	112	112.8 Å²	112.8	73%	0.727	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-61.8	143.6	177.6	26.8	-34.2	0	0	0	109.7	E400	P398-E400 PolarHBondContact O-N 2.99Å
399	P	45.5	Very low	51.3	Low	122 Å²	122	113.6 Å²	113.6	79%	0.792	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-61.8	123.8	-173.4	23.9	-33.5	0	0	0	110.8	K401	P399-K401 VanDerWaalsContact C-N 3.34Å; P399-K401 PolarHBondContact O-N 3.07Å
400	E	52.2	Low	53.4	Low	190 Å²	190	109.2 Å²	109.2	89%	0.888	61%	0.61	S	S	*	*			trans	-61.8	97.2	167.5	-78.5	-157.5	135.4	0	0	108.7	P398 S402	P398-E400 PolarHBondContact O-N 2.99Å; E400-S402 PolarHBondContact O-N 3.34Å; E400-S402 VanDerWaalsContact O-N 3.13Å
401	K	55.4	Low	55.3	Low	133 Å²	133	105.7 Å²	105.7	58%	0.578	59%	0.591	S	S	*	*			trans	-47	124	171.6	-70.8	-178.4	177.7	177.8	0	108.9	P399 M406	P399-K401 VanDerWaalsContact C-N 3.34Å; P399-K401 PolarHBondContact O-N 3.07Å; K401-M406 HydrophobicContact CB-CG 3.93Å; K401-M406 HydrophobicContact CB-SD 4.19Å; K401-M406 HydrophobicContact CD-SD 4.08Å
402	S	66.5	Low	57.5	Low	49 Å²	49	101.6 Å²	101.6	34%	0.343	57%	0.574	S	S	.	*			trans	-58	148.3	-171.9	68.2	0	0	0	0	110.2	E400 E404 E405 M406	E400-S402 PolarHBondContact O-N 3.34Å; E400-S402 VanDerWaalsContact O-N 3.13Å; S402-E404 PolarHBondContact O-N 2.9Å; S402-E404 VanDerWaalsContact O-N 3.07Å; S402-E405 WeakPolarHBondContact CB-OE2 3.33Å; S402-E405 PolarHBondContact N-OE2 2.96Å; S402-E405 PolarHBondContact O-N 3.5Å; S402-E405 VanDerWaalsContact O-N 3.09Å; S402-E405 WeakPolarHBondContact OG-CB 3.33Å; S402-E405 WeakPolarHBondContact OG-CG 3.46Å; S402-E405 PolarHBondContact OG-N 3.03Å; S402-E405 PolarHBondContact OG-OE2 2.99Å; S402-M406 PolarHBondContact O-N 3.2Å
403	I	65.8	Low	59.6	Low	32 Å²	32	101.6 Å²	101.6	16%	0.164	56%	0.563	C	S	.	*	H	α-helix	trans	-56.5	-30.3	-179.6	-65	-175.4	0	0	0	110.8	L347 R350 K407	L347-I403 HydrophobicContact CD2-CG2 3.35Å; R350-I403 HydrophobicContact CB-CD1 3.84Å; I403-K407 VanDerWaalsContact O-CB 3.27Å; I403-K407 WeakPolarHBondContact O-CB 3.48Å; I403-K407 PolarHBondContact O-N 3.46Å
404	E	67.8	Low	61.8	Low	132 Å²	132	97.6 Å²	97.6	62%	0.617	53%	0.529	S	S	*	.	H	α-helix	trans	-74.9	-39.8	177.7	-56.2	-155.7	153.9	0	0	113.8	S402 K407 K408	S402-E404 PolarHBondContact O-N 2.9Å; S402-E404 VanDerWaalsContact O-N 3.07Å; E404-K407 WeakPolarHBondContact O-CB 3.45Å; E404-K407 PolarHBondContact O-N 3.33Å; E404-K408 WeakPolarHBondContact O-CB 3.48Å; E404-K408 VanDerWaalsContact O-CG 3.29Å; E404-K408 WeakPolarHBondContact O-CG 3.44Å; E404-K408 PolarHBondContact O-N 3.21Å
405	E	73.1	Confident	63.9	Low	111 Å²	111	97.7 Å²	97.7	52%	0.519	52%	0.517	S	S	.	.	H	α-helix	trans	-65	-44.4	174.2	-73.8	164.7	130.6	0	0	111.3	S402 K407 K408 L409	S402-E405 WeakPolarHBondContact CB-OE2 3.33Å; S402-E405 PolarHBondContact N-OE2 2.96Å; S402-E405 PolarHBondContact O-N 3.5Å; S402-E405 VanDerWaalsContact O-N 3.09Å; S402-E405 WeakPolarHBondContact OG-CB 3.33Å; S402-E405 WeakPolarHBondContact OG-CG 3.46Å; S402-E405 PolarHBondContact OG-N 3.03Å; S402-E405 PolarHBondContact OG-OE2 2.99Å; E405-K407 VanDerWaalsContact C-N 3.32Å; E405-K407 PolarHBondContact O-N 2.97Å; E405-K408 PolarHBondContact O-N 2.9Å; E405-L409 WeakPolarHBondContact O-CB 3.39Å; E405-L409 PolarHBondContact O-N 3.09Å
406	M	68	Low	66.4	Low	45 Å²	45	99.9 Å²	99.9	22%	0.222	51%	0.509	C	S	.	.	H	α-helix	trans	-59.1	-44.8	174.2	-71.4	-73	-83.3	0	0	110.7	K401 S402 L409 F410	K401-M406 HydrophobicContact CB-CG 3.93Å; K401-M406 HydrophobicContact CB-SD 4.19Å; K401-M406 HydrophobicContact CD-SD 4.08Å; S402-M406 PolarHBondContact O-N 3.2Å; M406-L409 PolarHBondContact O-N 3.33Å; M406-F410 HydrophobicContact CE-CE2 3.89Å; M406-F410 HydrophobicContact CE-CZ 4.48Å; M406-F410 WeakPolarHBondContact O-CD2 3.4Å; M406-F410 PolarHBondContact O-N 3.3Å; M406-F410 HydrophobicContact SD-CE2 4.44Å
407	K	68.3	Low	68.9	Low	93 Å²	93	96.8 Å²	96.8	40%	0.404	48%	0.483	S	S	.	.	H	α-helix	trans	-57.7	-47.9	173.6	166.7	173.2	-177.2	-165.1	0	112.4	H343 L347 I403 E404 E405 L409 I411	H343-K407 WeakPolarHBondContact NE2-CA 3.38Å; H343-K407 WeakPolarHBondContact NE2-CG 3.21Å; L347-K407 HydrophobicContact CD1-CD 4.33Å; I403-K407 VanDerWaalsContact O-CB 3.27Å; I403-K407 WeakPolarHBondContact O-CB 3.48Å; I403-K407 PolarHBondContact O-N 3.46Å; E404-K407 WeakPolarHBondContact O-CB 3.45Å; E404-K407 PolarHBondContact O-N 3.33Å; E405-K407 VanDerWaalsContact C-N 3.32Å; E405-K407 PolarHBondContact O-N 2.97Å; K407-L409 VanDerWaalsContact C-N 3.31Å; K407-L409 PolarHBondContact O-N 2.87Å; K407-I411 HydrophobicContact CG-CD1 3.71Å; K407-I411 WeakPolarHBondContact O-CB 3.44Å; K407-I411 VanDerWaalsContact O-CG1 3.27Å; K407-I411 WeakPolarHBondContact O-CG1 3.32Å; K407-I411 PolarHBondContact O-N 3.32Å
408	K	75.1	Confident	71.3	Confident	140 Å²	140	93.1 Å²	93.1	61%	0.609	45%	0.452	S	S	*	.	H	α-helix	trans	-60.4	-40.2	177.3	-74.3	169	-178.1	172.6	0	111.5	E404 E405 S412	E404-K408 WeakPolarHBondContact O-CB 3.48Å; E404-K408 VanDerWaalsContact O-CG 3.29Å; E404-K408 WeakPolarHBondContact O-CG 3.44Å; E404-K408 PolarHBondContact O-N 3.21Å; E405-K408 PolarHBondContact O-N 2.9Å; K408-S412 WeakPolarHBondContact O-CB 3.23Å; K408-S412 PolarHBondContact O-N 3Å; K408-S412 PolarHBondContact O-OG 3.43Å
409	L	76	Confident	73.7	Confident	90 Å²	90	91.7 Å²	91.7	47%	0.471	44%	0.441	S	S	.	.	H	α-helix	trans	-70.7	-39.7	-178	-155.5	161.9	0	0	0	112.7	E405 M406 K407 S412 R413	E405-L409 WeakPolarHBondContact O-CB 3.39Å; E405-L409 PolarHBondContact O-N 3.09Å; M406-L409 PolarHBondContact O-N 3.33Å; K407-L409 VanDerWaalsContact C-N 3.31Å; K407-L409 PolarHBondContact O-N 2.87Å; L409-S412 PolarHBondContact O-OG 2.95Å; L409-R413 WeakPolarHBondContact O-CB 3.48Å; L409-R413 PolarHBondContact O-N 2.95Å
410	F	71.9	Confident	76	Confident	57 Å²	57	89.9 Å²	89.9	25%	0.25	43%	0.428	C	S	.	.	H	α-helix	trans	-74.3	-37	175.1	-71.8	-68.2	0	0	0	113	H343 M406 R413 A414	H343-F410 HydrophobicContact CB-CB 4.42Å; M406-F410 HydrophobicContact CE-CE2 3.89Å; M406-F410 HydrophobicContact CE-CZ 4.48Å; M406-F410 WeakPolarHBondContact O-CD2 3.4Å; M406-F410 PolarHBondContact O-N 3.3Å; M406-F410 HydrophobicContact SD-CE2 4.44Å; F410-R413 PolarHBondContact O-N 3.31Å; F410-A414 PolarHBondContact O-N 3.25Å
411	I	75.5	Confident	78	Confident	58 Å²	58	81.3 Å²	81.3	30%	0.297	39%	0.389	S	S	.	.	H	α-helix	trans	-65.7	-40.8	173.7	-67.5	170.2	0	0	0	110.7	K407 A414 K415	K407-I411 HydrophobicContact CG-CD1 3.71Å; K407-I411 WeakPolarHBondContact O-CB 3.44Å; K407-I411 VanDerWaalsContact O-CG1 3.27Å; K407-I411 WeakPolarHBondContact O-CG1 3.32Å; K407-I411 PolarHBondContact O-N 3.32Å; I411-A414 PolarHBondContact O-N 2.98Å; I411-K415 HydrophobicContact CG2-CD 4.26Å; I411-K415 WeakPolarHBondContact O-CB 3.49Å; I411-K415 WeakPolarHBondContact O-CG 3.46Å; I411-K415 PolarHBondContact O-N 2.9Å
412	S	81.1	Confident	79.9	Confident	67 Å²	67	78.9 Å²	78.9	47%	0.469	38%	0.376	S	S	.	.	H	α-helix	trans	-66.8	-36.4	174.9	70.5	0	0	0	0	111.8	K408 L409 R416	K408-S412 WeakPolarHBondContact O-CB 3.23Å; K408-S412 PolarHBondContact O-N 3Å; K408-S412 PolarHBondContact O-OG 3.43Å; L409-S412 PolarHBondContact O-OG 2.95Å; S412-R416 WeakPolarHBondContact O-CB 3.26Å; S412-R416 PolarHBondContact O-N 3.44Å
413	R	82.2	Confident	81.3	Confident	151 Å²	151	81.3 Å²	81.3	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-62.3	-45.9	173	-170.9	176	-177.4	176.4	1.1	112.3	L409 F410 R416 I417	L409-R413 WeakPolarHBondContact O-CB 3.48Å; L409-R413 PolarHBondContact O-N 2.95Å; F410-R413 PolarHBondContact O-N 3.31Å; R413-R416 PolarHBondContact O-N 3.17Å; R413-I417 WeakPolarHBondContact O-CG1 3.11Å; R413-I417 PolarHBondContact O-N 3.21Å
414	A	79.3	Confident	82.7	Confident	2 Å²	2	81.6 Å²	81.6	2%	0.017	40%	0.396	C	S	.	.	H	α-helix	trans	-62.2	-49.2	176.8	0	0	0	0	0	111.6	M278 I339 F410 I411 R416 I417 D418	M278-A414 HydrophobicContact CE-CB 3.78Å; M278-A414 HydrophobicContact SD-CB 4.18Å; I339-A414 HydrophobicContact CG2-CB 4.41Å; F410-A414 PolarHBondContact O-N 3.25Å; I411-A414 PolarHBondContact O-N 2.98Å; A414-R416 VanDerWaalsContact C-N 3.27Å; A414-R416 PolarHBondContact O-N 3.4Å; A414-I417 WeakPolarHBondContact O-CB 3.29Å; A414-I417 PolarHBondContact O-N 3.01Å; A414-I417 VanDerWaalsContact O-N 3.09Å; A414-D418 PolarHBondContact O-N 2.94Å
415	K	83.4	Confident	84	Confident	124 Å²	124	76.9 Å²	76.9	54%	0.539	37%	0.373	S	S	.	.	H	α-helix	trans	-61.5	-32.6	176	-71.9	-176.3	176.5	-168.8	0	113.4	M278 I411 I417 T419	M278-K415 HydrophobicContact CE-CG 3.93Å; I411-K415 HydrophobicContact CG2-CD 4.26Å; I411-K415 WeakPolarHBondContact O-CB 3.49Å; I411-K415 WeakPolarHBondContact O-CG 3.46Å; I411-K415 PolarHBondContact O-N 2.9Å; K415-I417 VanDerWaalsContact C-N 3.33Å; K415-T419 WeakPolarHBondContact O-CB 3.37Å; K415-T419 PolarHBondContact O-N 3.34Å; K415-T419 PolarHBondContact O-OG1 3.27Å
416	R	89.3	Confident	85.1	Confident	189 Å²	189	73.5 Å²	73.5	71%	0.713	36%	0.361	S	S	*	.	H	α-helix	trans	-67.1	-32.8	175.8	-174.5	175.3	-179.1	179.6	0.7	111.9	S412 R413 A414 V420	S412-R416 WeakPolarHBondContact O-CB 3.26Å; S412-R416 PolarHBondContact O-N 3.44Å; R413-R416 PolarHBondContact O-N 3.17Å; A414-R416 VanDerWaalsContact C-N 3.27Å; A414-R416 PolarHBondContact O-N 3.4Å; R416-V420 VanDerWaalsContact O-CG2 3.3Å; R416-V420 WeakPolarHBondContact O-CG2 3.49Å; R416-V420 PolarHBondContact O-N 2.94Å
417	I	89.8	Confident	86.5	Confident	50 Å²	50	75.8 Å²	75.8	26%	0.256	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-57.1	172.9	-63.3	165.7	0	0	0	109.1	E332 V336 I339 R413 A414 K415 T419 V420 S421	E332-I417 HydrophobicContact CG-CG2 4.25Å; V336-I417 HydrophobicContact CG2-CB 4.09Å; V336-I417 HydrophobicContact CG2-CG2 3.8Å; I339-I417 HydrophobicContact CD1-CD1 3.53Å; R413-I417 WeakPolarHBondContact O-CG1 3.11Å; R413-I417 PolarHBondContact O-N 3.21Å; A414-I417 WeakPolarHBondContact O-CB 3.29Å; A414-I417 PolarHBondContact O-N 3.01Å; A414-I417 VanDerWaalsContact O-N 3.09Å; K415-I417 VanDerWaalsContact C-N 3.33Å; I417-T419 PolarHBondContact O-N 2.86Å; I417-T419 VanDerWaalsContact O-N 3.12Å; I417-V420 PolarHBondContact O-N 3.43Å; I417-S421 PolarHBondContact O-N 2.85Å; I417-S421 PolarHBondContact O-OG 3Å
418	D	89.9	Confident	87.9	Confident	8 Å²	8	75.2 Å²	75.2	4%	0.043	38%	0.378	C	S	.	.	H	α-helix	trans	-51.5	-42.1	177	-70.6	-62	0	0	0	111.8	M278 R284 A414 S421 R422	M278-D418 WeakPolarHBondContact CE-OD2 3.48Å; R284-D418 IonicContact CZ-OD1 3.24Å; R284-D418 VanDerWaalsContact CZ-OD1 3.24Å; R284-D418 IonicContact NH1-OD1 2.75Å; R284-D418 PolarHBondContact NH1-OD1 3.04Å; R284-D418 IonicContact NH1-OD2 3.84Å; R284-D418 IonicContact NH2-OD1 2.78Å; R284-D418 PolarHBondContact NH2-OD1 3.07Å; A414-D418 PolarHBondContact O-N 2.94Å; D418-S421 PolarHBondContact O-N 3.05Å; D418-R422 VanDerWaalsContact O-CG 3.22Å; D418-R422 WeakPolarHBondContact O-CG 3.27Å; D418-R422 PolarHBondContact O-N 3.41Å; D418-R422 VanDerWaalsContact O-N 3.08Å
419	T	91.6	Very high	88.9	Confident	82 Å²	82	68.9 Å²	68.9	50%	0.503	35%	0.35	S	S	.	.	H	α-helix	trans	-67.4	-38.4	-178.3	-57.3	0	0	0	0	112.7	K415 I417	K415-T419 WeakPolarHBondContact O-CB 3.37Å; K415-T419 PolarHBondContact O-N 3.34Å; K415-T419 PolarHBondContact O-OG1 3.27Å; I417-T419 PolarHBondContact O-N 2.86Å; I417-T419 VanDerWaalsContact O-N 3.12Å
420	V	94.6	Very high	89.9	Confident	85 Å²	85	69.3 Å²	69.3	52%	0.515	35%	0.352	S	S	.	.	H	α-helix	trans	-72.5	-44.2	174.9	172	0	0	0	0	110.3	R416 I417 R422 V423 A424	R416-V420 VanDerWaalsContact O-CG2 3.3Å; R416-V420 WeakPolarHBondContact O-CG2 3.49Å; R416-V420 PolarHBondContact O-N 2.94Å; I417-V420 PolarHBondContact O-N 3.43Å; V420-R422 VanDerWaalsContact C-N 3.29Å; V420-R422 PolarHBondContact O-N 2.89Å; V420-V423 PolarHBondContact O-N 3.39Å; V420-V423 VanDerWaalsContact O-N 3.1Å; V420-A424 HydrophobicContact CG1-CB 4.37Å; V420-A424 WeakPolarHBondContact O-CB 3.35Å; V420-A424 PolarHBondContact O-N 2.85Å
421	S	94.4	Very high	91.2	Very high	9 Å²	9	70.4 Å²	70.4	6%	0.063	36%	0.36	C	S	.	.	H	α-helix	trans	-55.4	-41.8	179.2	-57.9	0	0	0	0	112.3	E332 I417 D418 V423 A424 F425	E332-S421 VanDerWaalsContact CG-OG 3.27Å; E332-S421 WeakPolarHBondContact CG-OG 3.29Å; E332-S421 PolarHBondContact OE1-OG 3.03Å; I417-S421 PolarHBondContact O-N 2.85Å; I417-S421 PolarHBondContact O-OG 3Å; D418-S421 PolarHBondContact O-N 3.05Å; S421-V423 PolarHBondContact O-N 2.95Å; S421-A424 PolarHBondContact O-N 2.86Å; S421-F425 WeakPolarHBondContact O-CB 3.31Å; S421-F425 WeakPolarHBondContact O-CD2 3.38Å; S421-F425 PolarHBondContact O-N 2.9Å
422	R	94.3	Very high	92.2	Very high	83 Å²	83	69.4 Å²	69.4	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-56.3	-28.7	177.3	-75.5	168.9	-164	-173.8	2.6	114.9	F274 W275 D418 V420 P426	F274-R422 HydrophobicContact CB-CG 3.75Å; F274-R422 VanDerWaalsContact O-CZ 3.25Å; F274-R422 PolarHBondContact O-NE 3.33Å; F274-R422 PolarHBondContact O-NH2 3.41Å; W275-R422 HydrophobicContact CZ2-CG 4.43Å; D418-R422 VanDerWaalsContact O-CG 3.22Å; D418-R422 WeakPolarHBondContact O-CG 3.27Å; D418-R422 PolarHBondContact O-N 3.41Å; D418-R422 VanDerWaalsContact O-N 3.08Å; V420-R422 VanDerWaalsContact C-N 3.29Å; V420-R422 PolarHBondContact O-N 2.89Å; R422-P426 WeakPolarHBondContact O-CD 3.43Å; R422-P426 WeakPolarHBondContact O-CG 3.46Å
423	V	95.1	Very high	93	Very high	100 Å²	100	67.4 Å²	67.4	61%	0.606	34%	0.337	S	S	*	.	H	α-helix	trans	-101.7	-42.2	179.6	-176.8	0	0	0	0	110.8	V420 S421 L427	V420-V423 PolarHBondContact O-N 3.39Å; V420-V423 VanDerWaalsContact O-N 3.1Å; S421-V423 PolarHBondContact O-N 2.95Å; V423-L427 VanDerWaalsContact O-CB 3.23Å; V423-L427 WeakPolarHBondContact O-CB 3.49Å; V423-L427 PolarHBondContact O-N 3.22Å
424	A	95.7	Very high	93.7	Very high	38 Å²	38	64.4 Å²	64.4	31%	0.314	33%	0.332	S	S	.	.	H	α-helix	trans	-65.3	-46.5	-176	0	0	0	0	0	112.8	V420 S421 L427 V428	V420-A424 HydrophobicContact CG1-CB 4.37Å; V420-A424 WeakPolarHBondContact O-CB 3.35Å; V420-A424 PolarHBondContact O-N 2.85Å; S421-A424 PolarHBondContact O-N 2.86Å; A424-L427 PolarHBondContact O-N 3.43Å; A424-V428 VanDerWaalsContact O-CG2 3.27Å; A424-V428 WeakPolarHBondContact O-CG2 3.33Å; A424-V428 PolarHBondContact O-N 3.07Å
425	F	96.1	Very high	94.5	Very high	33 Å²	33	70.4 Å²	70.4	15%	0.145	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-51.1	-176.9	-83.4	-111.8	0	0	0	112.4	F274 F325 A329 E332 S421 L427 F429	F274-F425 HydrophobicContact CE2-CB 3.87Å; F274-F425 HydrophobicContact CE2-CD1 4.12Å; F274-F425 HydrophobicContact CE2-CD2 4.01Å; F274-F425 AromaticContact CE2-CG 3.76Å; F274-F425 HydrophobicContact CE2-CG 3.76Å; F274-F425 HydrophobicContact CZ-CB 4.38Å; F274-F425 AromaticContact CZ-CD1 3.81Å; F274-F425 HydrophobicContact CZ-CD1 3.81Å; F274-F425 AromaticContact CZ-CD2 3.83Å; F274-F425 HydrophobicContact CZ-CD2 3.83Å; F274-F425 AromaticContact CZ-CE1 3.94Å; F274-F425 HydrophobicContact CZ-CE1 3.94Å; F274-F425 AromaticContact CZ-CE2 3.95Å; F274-F425 HydrophobicContact CZ-CE2 3.95Å; F274-F425 AromaticContact CZ-CG 3.76Å; F274-F425 HydrophobicContact CZ-CG 3.76Å; F274-F425 AromaticContact CZ-CZ 4Å; F274-F425 HydrophobicContact CZ-CZ 4Å; F325-F425 HydrophobicContact CD1-CD1 4.06Å; A329-F425 HydrophobicContact CB-CE1 4.28Å; E332-F425 HydrophobicContact CB-CZ 4.43Å; S421-F425 WeakPolarHBondContact O-CB 3.31Å; S421-F425 WeakPolarHBondContact O-CD2 3.38Å; S421-F425 PolarHBondContact O-N 2.9Å; F425-L427 PolarHBondContact O-N 3.21Å; F425-F429 WeakPolarHBondContact O-CB 3.3Å; F425-F429 PolarHBondContact O-N 2.65Å
426	P	96.3	Very high	95.1	Very high	40 Å²	40	64.9 Å²	64.9	26%	0.26	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-39.6	176.3	-23.9	34.6	0	0	0	113.4	W271 R422 F429 L430	W271-P426 HydrophobicContact CD2-CG 3.96Å; W271-P426 HydrophobicContact CE3-CB 4.14Å; W271-P426 HydrophobicContact CE3-CG 3.73Å; W271-P426 HydrophobicContact CH2-CB 3.92Å; W271-P426 HydrophobicContact CH2-CG 4.32Å; W271-P426 HydrophobicContact CZ2-CB 4.39Å; W271-P426 HydrophobicContact CZ3-CB 3.78Å; W271-P426 HydrophobicContact CZ3-CG 3.92Å; R422-P426 WeakPolarHBondContact O-CD 3.43Å; R422-P426 WeakPolarHBondContact O-CG 3.46Å; P426-F429 PolarHBondContact O-N 2.99Å; P426-L430 WeakPolarHBondContact O-CB 3.34Å; P426-L430 PolarHBondContact O-N 3.05Å
427	L	96.7	Very high	95.4	Very high	93 Å²	93	59.8 Å²	59.8	49%	0.487	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-46.9	-178.4	-178.2	64.5	0	0	0	112.1	V423 A424 F425 F429 L430 I431	V423-L427 VanDerWaalsContact O-CB 3.23Å; V423-L427 WeakPolarHBondContact O-CB 3.49Å; V423-L427 PolarHBondContact O-N 3.22Å; A424-L427 PolarHBondContact O-N 3.43Å; F425-L427 PolarHBondContact O-N 3.21Å; L427-F429 VanDerWaalsContact C-N 3.31Å; L427-F429 PolarHBondContact O-N 3.09Å; L427-L430 PolarHBondContact O-N 3.36Å; L427-I431 HydrophobicContact CG-CD1 4.22Å; L427-I431 VanDerWaalsContact O-CG1 3.31Å; L427-I431 WeakPolarHBondContact O-CG1 3.25Å; L427-I431 PolarHBondContact O-N 2.91Å
428	V	97.4	Very high	95.7	Very high	81 Å²	81	61.6 Å²	61.6	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-67.7	-34.7	178.6	-176.6	0	0	0	0	110.7	F325 A424 I431 F432	F325-V428 HydrophobicContact CE1-CB 4.36Å; F325-V428 HydrophobicContact CE1-CG1 4.49Å; F325-V428 HydrophobicContact CZ-CB 4.23Å; F325-V428 HydrophobicContact CZ-CG1 3.96Å; A424-V428 VanDerWaalsContact O-CG2 3.27Å; A424-V428 WeakPolarHBondContact O-CG2 3.33Å; A424-V428 PolarHBondContact O-N 3.07Å; V428-I431 PolarHBondContact O-N 3.21Å; V428-F432 PolarHBondContact O-N 3.45Å
429	F	97.4	Very high	95.9	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-69.4	-36.1	174.7	-169	-115.1	0	0	0	112.9	L264 V267 W271 W318 F325 F425 P426 L427 F432 N433	L264-F429 HydrophobicContact CD2-CE1 3.51Å; L264-F429 HydrophobicContact CD2-CZ 3.78Å; V267-F429 HydrophobicContact CB-CE1 4.2Å; V267-F429 HydrophobicContact CB-CZ 4.04Å; V267-F429 HydrophobicContact CG1-CD1 4.01Å; V267-F429 HydrophobicContact CG1-CD2 4.15Å; V267-F429 HydrophobicContact CG1-CE1 3.83Å; V267-F429 HydrophobicContact CG1-CE2 4Å; V267-F429 HydrophobicContact CG1-CG 4.15Å; V267-F429 HydrophobicContact CG1-CZ 3.83Å; V267-F429 HydrophobicContact CG2-CE2 4.23Å; V267-F429 HydrophobicContact CG2-CZ 3.98Å; W271-F429 HydrophobicContact CH2-CB 4.35Å; W271-F429 AromaticContact CH2-CD1 3.78Å; W271-F429 HydrophobicContact CH2-CD1 3.78Å; W271-F429 HydrophobicContact CH2-CG 4.44Å; W271-F429 HydrophobicContact CZ2-CB 3.8Å; W271-F429 AromaticContact CZ2-CD1 3.6Å; W271-F429 HydrophobicContact CZ2-CD1 3.6Å; W271-F429 HydrophobicContact CZ2-CE1 4.43Å; W271-F429 AromaticContact CZ2-CG 3.91Å; W271-F429 HydrophobicContact CZ2-CG 3.91Å; W318-F429 HydrophobicContact CH2-CZ 4.48Å; F325-F429 HydrophobicContact CD1-CB 4.29Å; F325-F429 HydrophobicContact CD1-CD2 4.35Å; F325-F429 AromaticContact CD2-CD2 3.66Å; F325-F429 HydrophobicContact CD2-CD2 3.66Å; F325-F429 HydrophobicContact CD2-CE2 4.23Å; F325-F429 HydrophobicContact CE1-CB 3.79Å; F325-F429 HydrophobicContact CE1-CD2 4.33Å; F325-F429 HydrophobicContact CE2-CB 4.4Å; F325-F429 AromaticContact CE2-CD2 3.65Å; F325-F429 HydrophobicContact CE2-CD2 3.65Å; F325-F429 HydrophobicContact CG-CD2 4.03Å; F325-F429 HydrophobicContact CZ-CB 3.85Å; F325-F429 AromaticContact CZ-CD2 3.99Å; F325-F429 HydrophobicContact CZ-CD2 3.99Å; F325-F429 HydrophobicContact CZ-CG 4.43Å; F425-F429 WeakPolarHBondContact O-CB 3.3Å; F425-F429 PolarHBondContact O-N 2.65Å; P426-F429 PolarHBondContact O-N 2.99Å; L427-F429 VanDerWaalsContact C-N 3.31Å; L427-F429 PolarHBondContact O-N 3.09Å; F429-F432 HydrophobicContact CD2-CD1 4.06Å; F429-F432 AromaticContact CE2-CD1 3.96Å; F429-F432 HydrophobicContact CE2-CD1 3.96Å; F429-F432 HydrophobicContact CE2-CE1 4.31Å; F429-F432 PolarHBondContact O-N 3.12Å; F429-N433 WeakPolarHBondContact CE1-ND2 3.49Å; F429-N433 PolarHBondContact O-N 2.96Å; F429-N433 PolarHBondContact O-ND2 3.43Å
430	L	97	Very high	96	Very high	99 Å²	99	62.5 Å²	62.5	52%	0.518	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-44.6	172.4	-179.6	66	0	0	0	111.2	P426 L427 F432 N433 I434	P426-L430 WeakPolarHBondContact O-CB 3.34Å; P426-L430 PolarHBondContact O-N 3.05Å; L427-L430 PolarHBondContact O-N 3.36Å; L430-F432 PolarHBondContact O-N 3.04Å; L430-N433 WeakPolarHBondContact O-CB 3.17Å; L430-N433 PolarHBondContact O-N 3.48Å; L430-I434 HydrophobicContact CD1-CD1 4.45Å; L430-I434 HydrophobicContact CG-CD1 4.14Å; L430-I434 WeakPolarHBondContact O-CG1 3.46Å; L430-I434 PolarHBondContact O-N 3.23Å
431	I	97.6	Very high	95.9	Very high	79 Å²	79	66 Å²	66	41%	0.405	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-47.8	174.7	-69.4	165.2	0	0	0	110.3	L427 V428 N433 I434 F435	L427-I431 HydrophobicContact CG-CD1 4.22Å; L427-I431 VanDerWaalsContact O-CG1 3.31Å; L427-I431 WeakPolarHBondContact O-CG1 3.25Å; L427-I431 PolarHBondContact O-N 2.91Å; V428-I431 PolarHBondContact O-N 3.21Å; I431-N433 VanDerWaalsContact C-N 3.35Å; I431-N433 PolarHBondContact O-N 3.04Å; I431-I434 PolarHBondContact O-N 3.22Å; I431-F435 HydrophobicContact CG2-CD2 3.7Å; I431-F435 HydrophobicContact CG2-CE2 3.71Å; I431-F435 WeakPolarHBondContact O-CD2 3.14Å; I431-F435 PolarHBondContact O-N 3.13Å
432	F	97.4	Very high	95.8	Very high	38 Å²	38	69.9 Å²	69.9	17%	0.167	35%	0.35	C	S	.	.	H	α-helix	trans	-56.1	-46.1	174.8	165.8	-106.7	0	0	0	112.4	W318 V321 V428 F429 L430 I434 F435 Y436	W318-F432 AromaticContact CE3-CE1 3.7Å; W318-F432 HydrophobicContact CE3-CE1 3.7Å; W318-F432 AromaticContact CE3-CZ 3.98Å; W318-F432 HydrophobicContact CE3-CZ 3.98Å; W318-F432 AromaticContact CZ3-CE1 3.73Å; W318-F432 HydrophobicContact CZ3-CE1 3.73Å; W318-F432 HydrophobicContact CZ3-CZ 4.39Å; V321-F432 HydrophobicContact CB-CE1 4.08Å; V321-F432 HydrophobicContact CB-CE2 3.95Å; V321-F432 HydrophobicContact CB-CZ 3.71Å; V321-F432 HydrophobicContact CG1-CD1 3.77Å; V321-F432 HydrophobicContact CG1-CD2 3.86Å; V321-F432 HydrophobicContact CG1-CE1 3.69Å; V321-F432 HydrophobicContact CG1-CE2 3.79Å; V321-F432 HydrophobicContact CG1-CG 3.85Å; V321-F432 HydrophobicContact CG1-CZ 3.7Å; V321-F432 HydrophobicContact CG2-CD2 4.42Å; V321-F432 HydrophobicContact CG2-CE2 3.8Å; V321-F432 HydrophobicContact CG2-CZ 4.01Å; V428-F432 PolarHBondContact O-N 3.45Å; F429-F432 HydrophobicContact CD2-CD1 4.06Å; F429-F432 AromaticContact CE2-CD1 3.96Å; F429-F432 HydrophobicContact CE2-CD1 3.96Å; F429-F432 HydrophobicContact CE2-CE1 4.31Å; F429-F432 PolarHBondContact O-N 3.12Å; L430-F432 PolarHBondContact O-N 3.04Å; F432-I434 PolarHBondContact O-N 2.99Å; F432-F435 PolarHBondContact O-N 2.97Å; F432-Y436 HydrophobicContact CE2-CD2 4.1Å; F432-Y436 AromaticContact CZ-CD2 3.84Å; F432-Y436 HydrophobicContact CZ-CD2 3.84Å; F432-Y436 HydrophobicContact CZ-CG 4.25Å; F432-Y436 VanDerWaalsContact O-CB 3.25Å; F432-Y436 WeakPolarHBondContact O-CB 3.43Å; F432-Y436 PolarHBondContact O-N 2.9Å
433	N	97	Very high	95.6	Very high	24 Å²	24	68.5 Å²	68.5	13%	0.128	35%	0.348	C	S	.	.	H	α-helix	trans	-58.2	-48.1	177.6	-89.4	-96.3	0	0	0	111.8	W318 F429 L430 I431 F435 Y436 W437	W318-N433 VanDerWaalsContact CH2-OD1 3.3Å; W318-N433 WeakPolarHBondContact CH2-OD1 3.27Å; F429-N433 WeakPolarHBondContact CE1-ND2 3.49Å; F429-N433 PolarHBondContact O-N 2.96Å; F429-N433 PolarHBondContact O-ND2 3.43Å; L430-N433 WeakPolarHBondContact O-CB 3.17Å; L430-N433 PolarHBondContact O-N 3.48Å; I431-N433 VanDerWaalsContact C-N 3.35Å; I431-N433 PolarHBondContact O-N 3.04Å; N433-F435 PolarHBondContact O-N 3.18Å; N433-Y436 PolarHBondContact O-N 3.47Å; N433-W437 PolarHBondContact O-N 2.92Å
434	I	96.8	Very high	95.3	Very high	88 Å²	88	66.7 Å²	66.7	45%	0.451	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-49.9	179.8	-68.3	166.1	0	0	0	110.3	L430 I431 F432 I438	L430-I434 HydrophobicContact CD1-CD1 4.45Å; L430-I434 HydrophobicContact CG-CD1 4.14Å; L430-I434 WeakPolarHBondContact O-CG1 3.46Å; L430-I434 PolarHBondContact O-N 3.23Å; I431-I434 PolarHBondContact O-N 3.22Å; F432-I434 PolarHBondContact O-N 2.99Å; I434-I438 HydrophobicContact CG2-CD1 3.64Å; I434-I438 WeakPolarHBondContact O-CB 3.4Å; I434-I438 VanDerWaalsContact O-CG1 3.22Å; I434-I438 WeakPolarHBondContact O-CG1 3.26Å; I434-I438 PolarHBondContact O-N 2.85Å; I434-I438 VanDerWaalsContact O-N 3.09Å
435	F	97.1	Very high	94.8	Very high	129 Å²	129	67.5 Å²	67.5	57%	0.566	33%	0.334	S	S	*	.	H	α-helix	trans	-63.1	-45	177.9	-81.9	-69.8	0	0	0	112.6	I431 F432 N433 I438 I439	I431-F435 HydrophobicContact CG2-CD2 3.7Å; I431-F435 HydrophobicContact CG2-CE2 3.71Å; I431-F435 WeakPolarHBondContact O-CD2 3.14Å; I431-F435 PolarHBondContact O-N 3.13Å; F432-F435 PolarHBondContact O-N 2.97Å; N433-F435 PolarHBondContact O-N 3.18Å; F435-I438 PolarHBondContact O-N 2.91Å; F435-I439 HydrophobicContact CB-CD1 4.37Å; F435-I439 VanDerWaalsContact O-CB 3.31Å; F435-I439 WeakPolarHBondContact O-CB 3.41Å; F435-I439 WeakPolarHBondContact O-CD1 3.49Å; F435-I439 WeakPolarHBondContact O-CG1 3.46Å; F435-I439 PolarHBondContact O-N 3.38Å
436	Y	96.5	Very high	94.4	Very high	8 Å²	8	70.2 Å²	70.2	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-56.7	-54.7	180	-176.6	-89.4	0	0	0	111.7	M179 Y260 A314 I317 W318 F432 N433 I438 I439 Y440	M179-Y436 HydrophobicContact CE-CE1 3.81Å; Y260-Y436 AromaticContact CE1-CE1 3.77Å; Y260-Y436 HydrophobicContact CE1-CE1 3.77Å; Y260-Y436 PolarHBondContact OH-OH 3.04Å; A314-Y436 VanDerWaalsContact C-OH 3.29Å; A314-Y436 PolarHBondContact O-OH 3.24Å; I317-Y436 HydrophobicContact CG2-CE2 4.45Å; W318-Y436 HydrophobicContact CB-CE2 3.95Å; W318-Y436 AromaticContact CE3-CD1 3.82Å; W318-Y436 HydrophobicContact CE3-CD1 3.82Å; W318-Y436 HydrophobicContact CE3-CD2 4.21Å; W318-Y436 AromaticContact CE3-CE1 3.87Å; W318-Y436 HydrophobicContact CE3-CE1 3.87Å; W318-Y436 HydrophobicContact CE3-CE2 4.24Å; W318-Y436 HydrophobicContact CE3-CG 4.01Å; W318-Y436 HydrophobicContact CZ3-CD1 4.14Å; W318-Y436 HydrophobicContact CZ3-CG 4.39Å; F432-Y436 HydrophobicContact CE2-CD2 4.1Å; F432-Y436 AromaticContact CZ-CD2 3.84Å; F432-Y436 HydrophobicContact CZ-CD2 3.84Å; F432-Y436 HydrophobicContact CZ-CG 4.25Å; F432-Y436 VanDerWaalsContact O-CB 3.25Å; F432-Y436 WeakPolarHBondContact O-CB 3.43Å; F432-Y436 PolarHBondContact O-N 2.9Å; N433-Y436 PolarHBondContact O-N 3.47Å; Y436-I438 PolarHBondContact O-N 3.4Å; Y436-I439 PolarHBondContact O-N 3.49Å; Y436-Y440 HydrophobicContact CD1-CD2 4.27Å; Y436-Y440 AromaticContact CD2-CD2 3.98Å; Y436-Y440 HydrophobicContact CD2-CD2 3.98Å; Y436-Y440 AromaticContact CD2-CE2 3.77Å; Y436-Y440 HydrophobicContact CD2-CE2 3.77Å; Y436-Y440 HydrophobicContact CE1-CD2 4.05Å; Y436-Y440 AromaticContact CE2-CD2 3.76Å; Y436-Y440 HydrophobicContact CE2-CD2 3.76Å; Y436-Y440 AromaticContact CE2-CE2 3.42Å; Y436-Y440 HydrophobicContact CE2-CE2 3.42Å; Y436-Y440 VanDerWaalsContact CE2-CE2 3.42Å; Y436-Y440 HydrophobicContact CG-CD2 4.22Å; Y436-Y440 HydrophobicContact CG-CE2 4.46Å; Y436-Y440 AromaticContact CZ-CD2 3.77Å; Y436-Y440 AromaticContact CZ-CE2 3.82Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.4Å; Y436-Y440 PolarHBondContact O-N 2.99Å; Y436-Y440 VanDerWaalsContact O-N 3.15Å
437	W	95.8	Very high	93.7	Very high	81 Å²	81	70.7 Å²	70.7	31%	0.307	35%	0.348	S	S	.	.	H	α-helix	trans	-69	-35.3	-176.9	-70.1	113.3	0	0	0	112.9	M179 M252 Y260 N433 K441	M179-W437 HydrophobicContact CE-CE3 4.43Å; M179-W437 HydrophobicContact CE-CZ3 4.13Å; M179-W437 HydrophobicContact SD-CE3 4.1Å; M179-W437 HydrophobicContact SD-CZ3 3.85Å; M252-W437 HydrophobicContact CE-CH2 4.19Å; M252-W437 HydrophobicContact CE-CZ3 3.9Å; Y260-W437 AromaticContact CD1-CH2 3.84Å; Y260-W437 HydrophobicContact CD1-CH2 3.84Å; Y260-W437 AromaticContact CD1-CZ2 3.57Å; Y260-W437 HydrophobicContact CD1-CZ2 3.57Å; Y260-W437 HydrophobicContact CD2-CH2 4.23Å; Y260-W437 AromaticContact CE1-CH2 3.8Å; Y260-W437 HydrophobicContact CE1-CH2 3.8Å; Y260-W437 AromaticContact CE1-CZ2 3.83Å; Y260-W437 HydrophobicContact CE1-CZ2 3.83Å; Y260-W437 HydrophobicContact CE2-CH2 4.2Å; Y260-W437 HydrophobicContact CG-CH2 4.07Å; Y260-W437 HydrophobicContact CG-CZ2 4.02Å; Y260-W437 AromaticContact CZ-CH2 3.99Å; N433-W437 PolarHBondContact O-N 2.92Å; W437-K441 WeakPolarHBondContact O-CB 3.39Å; W437-K441 PolarHBondContact O-N 3.37Å; W437-K441 VanDerWaalsContact O-N 3.12Å
438	I	95.6	Very high	92.8	Very high	89 Å²	89	68.5 Å²	68.5	46%	0.456	34%	0.336	S	S	.	.	H	α-helix	trans	-67.2	-48.8	176.1	-70.3	173	0	0	0	110.8	I434 F435 Y436 K441 I442	I434-I438 HydrophobicContact CG2-CD1 3.64Å; I434-I438 WeakPolarHBondContact O-CB 3.4Å; I434-I438 VanDerWaalsContact O-CG1 3.22Å; I434-I438 WeakPolarHBondContact O-CG1 3.26Å; I434-I438 PolarHBondContact O-N 2.85Å; I434-I438 VanDerWaalsContact O-N 3.09Å; F435-I438 PolarHBondContact O-N 2.91Å; Y436-I438 PolarHBondContact O-N 3.4Å; I438-K441 PolarHBondContact O-N 3.2Å; I438-I442 HydrophobicContact CG2-CD1 3.67Å; I438-I442 HydrophobicContact CG2-CG1 4.43Å; I438-I442 WeakPolarHBondContact O-CG1 3.35Å; I438-I442 PolarHBondContact O-N 3.47Å
439	I	94.6	Very high	91.8	Very high	81 Å²	81	71.7 Å²	71.7	42%	0.415	35%	0.345	S	S	.	.	H	α-helix	trans	-60.2	-52	-177.3	-71.1	166.8	0	0	0	110.6	F435 Y436 K441 I442 I443	F435-I439 HydrophobicContact CB-CD1 4.37Å; F435-I439 VanDerWaalsContact O-CB 3.31Å; F435-I439 WeakPolarHBondContact O-CB 3.41Å; F435-I439 WeakPolarHBondContact O-CD1 3.49Å; F435-I439 WeakPolarHBondContact O-CG1 3.46Å; F435-I439 PolarHBondContact O-N 3.38Å; Y436-I439 PolarHBondContact O-N 3.49Å; I439-K441 VanDerWaalsContact C-N 3.31Å; I439-K441 PolarHBondContact O-N 3.15Å; I439-I442 PolarHBondContact O-N 3.11Å; I439-I443 HydrophobicContact CG2-CD1 3.63Å; I439-I443 HydrophobicContact CG2-CG1 4.4Å; I439-I443 WeakPolarHBondContact O-CG1 3.41Å; I439-I443 PolarHBondContact O-N 2.92Å
440	Y	93	Very high	90.4	Very high	27 Å²	27	78.3 Å²	78.3	11%	0.106	37%	0.374	C	S	.	.	H	α-helix	trans	-70	-25.8	-178.9	-74.5	-67.7	0	0	0	113.7	M179 A314 I317 Y436 I443 R444	M179-Y440 HydrophobicContact CE-CD1 4.47Å; M179-Y440 HydrophobicContact CE-CD2 4.02Å; M179-Y440 HydrophobicContact CE-CG 3.7Å; A314-Y440 HydrophobicContact CB-CD1 3.89Å; A314-Y440 HydrophobicContact CB-CD2 4.33Å; A314-Y440 HydrophobicContact CB-CE1 3.37Å; A314-Y440 HydrophobicContact CB-CE2 3.86Å; A314-Y440 HydrophobicContact CB-CG 4.36Å; I317-Y440 WeakPolarHBondContact CD1-OH 3.49Å; Y436-Y440 HydrophobicContact CD1-CD2 4.27Å; Y436-Y440 AromaticContact CD2-CD2 3.98Å; Y436-Y440 HydrophobicContact CD2-CD2 3.98Å; Y436-Y440 AromaticContact CD2-CE2 3.77Å; Y436-Y440 HydrophobicContact CD2-CE2 3.77Å; Y436-Y440 HydrophobicContact CE1-CD2 4.05Å; Y436-Y440 AromaticContact CE2-CD2 3.76Å; Y436-Y440 HydrophobicContact CE2-CD2 3.76Å; Y436-Y440 AromaticContact CE2-CE2 3.42Å; Y436-Y440 HydrophobicContact CE2-CE2 3.42Å; Y436-Y440 VanDerWaalsContact CE2-CE2 3.42Å; Y436-Y440 HydrophobicContact CG-CD2 4.22Å; Y436-Y440 HydrophobicContact CG-CE2 4.46Å; Y436-Y440 AromaticContact CZ-CD2 3.77Å; Y436-Y440 AromaticContact CZ-CE2 3.82Å; Y436-Y440 WeakPolarHBondContact O-CD2 3.4Å; Y436-Y440 PolarHBondContact O-N 2.99Å; Y436-Y440 VanDerWaalsContact O-N 3.15Å; Y440-I443 HydrophobicContact CD1-CD1 4.3Å; Y440-I443 HydrophobicContact CE1-CD1 4.41Å; Y440-R444 VanDerWaalsContact O-CB 3.28Å; Y440-R444 WeakPolarHBondContact O-CB 3.43Å; Y440-R444 PolarHBondContact O-N 2.87Å
441	K	92.1	Very high	88.5	Confident	160 Å²	160	78.6 Å²	78.6	70%	0.696	37%	0.373	S	S	*	.	H	α-helix	trans	-68.5	-41.8	170.3	-176	179.7	177.6	-175.8	0	112	W437 I438 I439 S445	W437-K441 WeakPolarHBondContact O-CB 3.39Å; W437-K441 PolarHBondContact O-N 3.37Å; W437-K441 VanDerWaalsContact O-N 3.12Å; I438-K441 PolarHBondContact O-N 3.2Å; I439-K441 VanDerWaalsContact C-N 3.31Å; I439-K441 PolarHBondContact O-N 3.15Å; K441-S445 PolarHBondContact O-N 3.34Å
442	I	92.6	Very high	88.1	Confident	90 Å²	90	78.6 Å²	78.6	46%	0.462	37%	0.371	S	S	.	.	H	α-helix	trans	-65.6	-49.1	176.6	-67.9	167.4	0	0	0	110.1	I438 I439 R444 S445 E446	I438-I442 HydrophobicContact CG2-CD1 3.67Å; I438-I442 HydrophobicContact CG2-CG1 4.43Å; I438-I442 WeakPolarHBondContact O-CG1 3.35Å; I438-I442 PolarHBondContact O-N 3.47Å; I439-I442 PolarHBondContact O-N 3.11Å; I442-R444 VanDerWaalsContact C-N 3.34Å; I442-R444 PolarHBondContact O-N 3.01Å; I442-S445 WeakPolarHBondContact O-CA 3.48Å; I442-S445 WeakPolarHBondContact O-CB 3.28Å; I442-S445 PolarHBondContact O-N 3.11Å; I442-E446 PolarHBondContact O-N 2.89Å
443	I	90.3	Very high	87.6	Confident	53 Å²	53	80.7 Å²	80.7	27%	0.272	38%	0.382	S	S	.	.	H	α-helix	trans	-56.5	-47.2	177.8	-67.4	169.3	0	0	0	110.8	N176 I439 Y440 S445 E446 D447	N176-I443 WeakPolarHBondContact ND2-CG2 3.38Å; I439-I443 HydrophobicContact CG2-CD1 3.63Å; I439-I443 HydrophobicContact CG2-CG1 4.4Å; I439-I443 WeakPolarHBondContact O-CG1 3.41Å; I439-I443 PolarHBondContact O-N 2.92Å; Y440-I443 HydrophobicContact CD1-CD1 4.3Å; Y440-I443 HydrophobicContact CE1-CD1 4.41Å; I443-S445 VanDerWaalsContact C-N 3.29Å; I443-S445 PolarHBondContact O-N 3.09Å; I443-E446 PolarHBondContact O-N 3.33Å; I443-E446 VanDerWaalsContact O-N 3.17Å; I443-D447 WeakPolarHBondContact O-CB 3.38Å; I443-D447 VanDerWaalsContact O-CG 3.31Å; I443-D447 PolarHBondContact O-N 3.37Å
444	R	87.9	Confident	87.1	Confident	62 Å²	62	83.9 Å²	83.9	23%	0.234	40%	0.396	C	S	.	.	H	α-helix	trans	-59.5	-37.8	175.4	176.7	175	170.8	175.2	-0.1	112.8	E249 Y440 I442 I448	E249-R444 IonicContact OE1-CZ 2.84Å; E249-R444 IonicContact OE1-NE 2.87Å; E249-R444 IonicContact OE1-NH2 3.12Å; E249-R444 PolarHBondContact OE1-NH2 3.02Å; Y440-R444 VanDerWaalsContact O-CB 3.28Å; Y440-R444 WeakPolarHBondContact O-CB 3.43Å; Y440-R444 PolarHBondContact O-N 2.87Å; I442-R444 VanDerWaalsContact C-N 3.34Å; I442-R444 PolarHBondContact O-N 3.01Å; R444-I448 HydrophobicContact CG-CD1 3.98Å; R444-I448 WeakPolarHBondContact O-CB 3.5Å; R444-I448 WeakPolarHBondContact O-CD1 3.44Å; R444-I448 VanDerWaalsContact O-CG1 3.23Å; R444-I448 WeakPolarHBondContact O-CG1 3.27Å; R444-I448 PolarHBondContact O-N 3.11Å; R444-I448 VanDerWaalsContact O-N 3.07Å
445	S	86.8	Confident	86.5	Confident	55 Å²	55	83.6 Å²	83.6	39%	0.385	39%	0.393	S	S	.	.	H	α-helix	trans	-68.4	-39.3	176.5	-155.8	0	0	0	0	111.9	K441 I442 I443 I448 H449	K441-S445 PolarHBondContact O-N 3.34Å; I442-S445 WeakPolarHBondContact O-CA 3.48Å; I442-S445 WeakPolarHBondContact O-CB 3.28Å; I442-S445 PolarHBondContact O-N 3.11Å; I443-S445 VanDerWaalsContact C-N 3.29Å; I443-S445 PolarHBondContact O-N 3.09Å; S445-I448 PolarHBondContact O-N 3.38Å; S445-H449 PolarHBondContact O-CD2 3.41Å; S445-H449 VanDerWaalsContact O-CG 3.29Å; S445-H449 PolarHBondContact O-N 3.13Å
446	E	87.1	Confident	85.8	Confident	90 Å²	90	80.8 Å²	80.8	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-66.2	-42.4	172.8	-75.6	-170.2	-155.5	0	0	112.3	I442 I443 I448 H449 K450	I442-E446 PolarHBondContact O-N 2.89Å; I443-E446 PolarHBondContact O-N 3.33Å; I443-E446 VanDerWaalsContact O-N 3.17Å; E446-I448 PolarHBondContact O-N 3.41Å; E446-H449 CarbonylContact O-C 3.58Å; E446-H449 PolarHBondContact O-N 2.97Å; E446-H449 VanDerWaalsContact O-N 3.1Å; E446-K450 WeakPolarHBondContact O-CB 3.35Å; E446-K450 VanDerWaalsContact O-CG 3.3Å; E446-K450 WeakPolarHBondContact O-CG 3.37Å; E446-K450 PolarHBondContact O-N 3.36Å; E446-K450 WeakPolarHBondContact OE2-CE 3.43Å; E446-K450 IonicContact OE2-NZ 2.74Å; E446-K450 PolarHBondContact OE2-NZ 3.11Å
447	D	80.6	Confident	85.1	Confident	51 Å²	51	85.7 Å²	85.7	27%	0.273	41%	0.405	S	S	.	.	H	α-helix	trans	-63	-30.3	177.1	-70.9	-16.2	0	0	0	111.6	N176 I443 Q451	N176-D447 PolarHBondContact ND2-OD2 3.04Å; I443-D447 WeakPolarHBondContact O-CB 3.38Å; I443-D447 VanDerWaalsContact O-CG 3.31Å; I443-D447 PolarHBondContact O-N 3.37Å; D447-Q451 WeakPolarHBondContact O-CG 3.32Å; D447-Q451 PolarHBondContact O-NE2 3.01Å
448	I	78.8	Confident	84.3	Confident	47 Å²	47	86 Å²	86	24%	0.241	41%	0.412	C	S	.	.	H	α-helix	trans	-77	-30.6	173.4	-71.4	166.7	0	0	0	112.3	V181 R444 S445 E446	V181-I448 HydrophobicContact CG2-CD1 4.36Å; V181-I448 HydrophobicContact CG2-CG1 3.96Å; R444-I448 HydrophobicContact CG-CD1 3.98Å; R444-I448 WeakPolarHBondContact O-CB 3.5Å; R444-I448 WeakPolarHBondContact O-CD1 3.44Å; R444-I448 VanDerWaalsContact O-CG1 3.23Å; R444-I448 WeakPolarHBondContact O-CG1 3.27Å; R444-I448 PolarHBondContact O-N 3.11Å; R444-I448 VanDerWaalsContact O-N 3.07Å; S445-I448 PolarHBondContact O-N 3.38Å; E446-I448 PolarHBondContact O-N 3.41Å
449	H	75.1	Confident	83.5	Confident	147 Å²	147	85.8 Å²	85.8	68%	0.681	41%	0.409	S	S	*	.	H	α-helix	trans	-93.6	-10.8	-178.9	-68.4	-33.2	0	0	0	115.1	S445 E446	S445-H449 PolarHBondContact O-CD2 3.41Å; S445-H449 VanDerWaalsContact O-CG 3.29Å; S445-H449 PolarHBondContact O-N 3.13Å; E446-H449 CarbonylContact O-C 3.58Å; E446-H449 PolarHBondContact O-N 2.97Å; E446-H449 VanDerWaalsContact O-N 3.1Å
450	K	69.1	Low	82.6	Confident	147 Å²	147	86.2 Å²	86.2	64%	0.639	41%	0.408	S	S	*	.			trans	-93.1	-6.9	173.4	-71.4	169.9	-171.1	160.9	0	113.2	E446	E446-K450 WeakPolarHBondContact O-CB 3.35Å; E446-K450 VanDerWaalsContact O-CG 3.3Å; E446-K450 WeakPolarHBondContact O-CG 3.37Å; E446-K450 PolarHBondContact O-N 3.36Å; E446-K450 WeakPolarHBondContact OE2-CE 3.43Å; E446-K450 IonicContact OE2-NZ 2.74Å; E446-K450 PolarHBondContact OE2-NZ 3.11Å
451	Q	57.5	Low	81.6	Confident	105 Å²	105	91.5 Å²	91.5	49%	0.491	44%	0.436	S	S	.	.			trans	-78.9	0	167.4	-73.3	169.6	2.1	0	0	108.2	D447	D447-Q451 WeakPolarHBondContact O-CG 3.32Å; D447-Q451 PolarHBondContact O-NE2 3.01Å

Retrieved 451 of 451 residues in 425.3 ms (Link to these results)

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