A0A077DCM6_DROME Loading...

IR52a

AlphaFold DB , UniProt , Accession A0A077DCM6, Species DROME (Drosophila melanogaster, Fruit fly), Gene IR52a, Length 599 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	50.7	Low	49.1	Very low	238 Å²	238	113.6 Å²	113.6	100%	1.172	64%	0.639	S	S	*	*				0	58.1	0	-68.5	174.2	179.1	0	0	110.9
2	A	49.1	Very low	49.1	Very low	83 Å²	83	109.6 Å²	109.6	69%	0.686	62%	0.622	S	S	*	*			trans	-135.5	-13.3	-177.9	0	0	0	0	0	114.5
3	L	45.6	Very low	49.1	Very low	152 Å²	152	109.2 Å²	109.2	80%	0.796	62%	0.615	S	S	*	*	S	Bend	trans	-93.2	-16.2	179.6	-114.9	88.7	0	0	0	114.7	S6	L3-S6 PolarHBondContact O-OG 3.47Å; L3-S6 VanDerWaalsContact O-OG 3.1Å
4	G	44.1	Very low	48.9	Very low	46 Å²	46	103.9 Å²	103.9	47%	0.474	60%	0.598	S	S	.	*	H	α-helix	trans	-81.1	-24.4	-177.9	0	0	0	0	0	114.2
5	W	46.9	Very low	48.8	Very low	194 Å²	194	105.9 Å²	105.9	74%	0.735	60%	0.6	S	S	*	*	H	α-helix	trans	-82.5	-29.5	-177.3	-77	64.8	0	0	0	112.6	I8 I9	W5-I8 PolarHBondContact O-N 3.12Å; W5-I9 VanDerWaalsContact O-CG1 3.3Å; W5-I9 WeakPolarHBondContact O-CG1 3.49Å; W5-I9 PolarHBondContact O-N 3.1Å; W5-I9 VanDerWaalsContact O-N 3.15Å
6	S	46.7	Very low	48.6	Very low	55 Å²	55	105.8 Å²	105.8	39%	0.385	60%	0.596	S	S	.	*	H	α-helix	trans	-68.2	-33.4	177.6	40.1	0	0	0	0	113.1	L3 L10	L3-S6 PolarHBondContact O-OG 3.47Å; L3-S6 VanDerWaalsContact O-OG 3.1Å; S6-L10 WeakPolarHBondContact O-CB 3.3Å; S6-L10 PolarHBondContact O-N 3.15Å; S6-L10 VanDerWaalsContact O-N 3.12Å
7	V	52.3	Low	48.3	Very low	105 Å²	105	103.5 Å²	103.5	64%	0.636	59%	0.589	S	S	*	*	H	α-helix	trans	-73.2	-35	178.3	-179.1	0	0	0	0	111.7	G11	V7-G11 PolarHBondContact O-N 3.32Å
8	I	53.7	Low	48	Very low	114 Å²	114	100.5 Å²	100.5	59%	0.585	58%	0.579	S	S	*	*	H	α-helix	trans	-71.7	-39.8	177.5	-61.5	171.6	0	0	0	110.5	W5 G11 C12	W5-I8 PolarHBondContact O-N 3.12Å; I8-G11 PolarHBondContact O-N 2.91Å; I8-C12 WeakPolarHBondContact O-CB 3.5Å; I8-C12 PolarHBondContact O-N 2.92Å; I8-C12 PolarHBondContact O-SG 3.39Å; I8-C12 VanDerWaalsContact O-SG 3.32Å
9	I	54.3	Low	47.9	Very low	95 Å²	95	102.1 Å²	102.1	49%	0.487	58%	0.581	S	S	.	*	H	α-helix	trans	-68.3	-40.8	178.2	-65.8	168.2	0	0	0	111.4	W5 C12 I13	W5-I9 VanDerWaalsContact O-CG1 3.3Å; W5-I9 WeakPolarHBondContact O-CG1 3.49Å; W5-I9 PolarHBondContact O-N 3.1Å; W5-I9 VanDerWaalsContact O-N 3.15Å; I9-C12 PolarHBondContact O-N 3.01Å; I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.47Å; I9-I13 WeakPolarHBondContact O-CD1 3.3Å; I9-I13 VanDerWaalsContact O-CG1 3.23Å; I9-I13 WeakPolarHBondContact O-CG1 3.44Å; I9-I13 PolarHBondContact O-N 2.94Å
10	L	50.6	Low	47.8	Very low	130 Å²	130	101.9 Å²	101.9	68%	0.681	58%	0.576	S	S	*	*	H	α-helix	trans	-66.9	-36.3	174.2	-95.5	139	0	0	0	112.7	S6 G14	S6-L10 WeakPolarHBondContact O-CB 3.3Å; S6-L10 PolarHBondContact O-N 3.15Å; S6-L10 VanDerWaalsContact O-N 3.12Å; L10-G14 PolarHBondContact O-N 3.4Å
11	G	46.3	Very low	47.4	Very low	38 Å²	38	102.3 Å²	102.3	39%	0.392	58%	0.577	S	S	.	*	H	α-helix	trans	-66	-40.3	173.1	0	0	0	0	0	113	V7 I8 G14 Q15	V7-G11 PolarHBondContact O-N 3.32Å; I8-G11 PolarHBondContact O-N 2.91Å; G11-G14 PolarHBondContact O-N 3.48Å; G11-Q15 WeakPolarHBondContact O-CB 3.45Å; G11-Q15 WeakPolarHBondContact O-CG 3.44Å; G11-Q15 PolarHBondContact O-N 2.92Å
12	C	48.4	Very low	47	Very low	65 Å²	65	96.1 Å²	96.1	44%	0.439	55%	0.549	S	S	.	.	H	α-helix	trans	-70	-36.6	175.5	-71.8	0	0	0	0	112.6	I8 I9 Q15 L16	I8-C12 WeakPolarHBondContact O-CB 3.5Å; I8-C12 PolarHBondContact O-N 2.92Å; I8-C12 PolarHBondContact O-SG 3.39Å; I8-C12 VanDerWaalsContact O-SG 3.32Å; I9-C12 PolarHBondContact O-N 3.01Å; C12-Q15 PolarHBondContact O-N 3.47Å; C12-L16 WeakPolarHBondContact O-CB 3.26Å; C12-L16 PolarHBondContact O-N 2.79Å
13	I	49.8	Very low	46.5	Very low	104 Å²	104	99.1 Å²	99.1	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-70.8	-36.5	174.6	-65.5	165.2	0	0	0	110.9	I9 L16 S17	I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.47Å; I9-I13 WeakPolarHBondContact O-CD1 3.3Å; I9-I13 VanDerWaalsContact O-CG1 3.23Å; I9-I13 WeakPolarHBondContact O-CG1 3.44Å; I9-I13 PolarHBondContact O-N 2.94Å; I13-L16 PolarHBondContact O-N 3.03Å; I13-S17 VanDerWaalsContact O-CB 3.3Å; I13-S17 WeakPolarHBondContact O-CB 3.49Å; I13-S17 PolarHBondContact O-N 2.85Å; I13-S17 PolarHBondContact O-OG 2.91Å
14	G	45.8	Very low	46.6	Very low	36 Å²	36	95 Å²	95	37%	0.371	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-41	171.9	0	0	0	0	0	112.9	L10 G11 S17 A18	L10-G14 PolarHBondContact O-N 3.4Å; G11-G14 PolarHBondContact O-N 3.48Å; G14-S17 WeakPolarHBondContact CA-OG 3.21Å; G14-S17 PolarHBondContact O-OG 2.83Å; G14-A18 VanDerWaalsContact O-CB 3.26Å; G14-A18 WeakPolarHBondContact O-CB 3.23Å; G14-A18 PolarHBondContact O-N 3.44Å
15	Q	47.8	Very low	47	Very low	134 Å²	134	97.7 Å²	97.7	63%	0.626	52%	0.524	S	S	*	.	H	α-helix	trans	-72.1	-37.5	174.4	-79.2	179.9	-25.4	0	0	112.9	G11 C12 Q19	G11-Q15 WeakPolarHBondContact O-CB 3.45Å; G11-Q15 WeakPolarHBondContact O-CG 3.44Å; G11-Q15 PolarHBondContact O-N 2.92Å; C12-Q15 PolarHBondContact O-N 3.47Å; Q15-Q19 VanDerWaalsContact O-CB 3.25Å; Q15-Q19 WeakPolarHBondContact O-CB 3.12Å; Q15-Q19 VanDerWaalsContact O-CG 3.25Å; Q15-Q19 WeakPolarHBondContact O-CG 3.28Å; Q15-Q19 PolarHBondContact O-N 2.77Å
16	L	45.1	Very low	47.3	Very low	103 Å²	103	91.1 Å²	91.1	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-67.7	-42.5	175.3	-125.5	90.7	0	0	0	111.2	C12 I13 Q19 I20	C12-L16 WeakPolarHBondContact O-CB 3.26Å; C12-L16 PolarHBondContact O-N 2.79Å; I13-L16 PolarHBondContact O-N 3.03Å; L16-Q19 PolarHBondContact O-N 3.47Å; L16-I20 HydrophobicContact CD2-CD1 4.16Å; L16-I20 HydrophobicContact CG-CD1 4.45Å; L16-I20 VanDerWaalsContact O-CB 3.28Å; L16-I20 WeakPolarHBondContact O-CB 3.36Å; L16-I20 WeakPolarHBondContact O-CD1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.27Å; L16-I20 PolarHBondContact O-N 2.99Å
17	S	43.9	Very low	47.7	Very low	68 Å²	68	95.5 Å²	95.5	48%	0.476	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-40.3	176.5	55.3	0	0	0	0	111.6	I13 G14 I20 L21	I13-S17 VanDerWaalsContact O-CB 3.3Å; I13-S17 WeakPolarHBondContact O-CB 3.49Å; I13-S17 PolarHBondContact O-N 2.85Å; I13-S17 PolarHBondContact O-OG 2.91Å; G14-S17 WeakPolarHBondContact CA-OG 3.21Å; G14-S17 PolarHBondContact O-OG 2.83Å; S17-I20 PolarHBondContact O-N 2.83Å; S17-L21 WeakPolarHBondContact O-CB 3.25Å; S17-L21 PolarHBondContact O-N 3.34Å
18	A	43.1	Very low	48	Very low	49 Å²	49	95.1 Å²	95.1	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-65.9	-37.4	172.9	0	0	0	0	0	112.8	G14 N22	G14-A18 VanDerWaalsContact O-CB 3.26Å; G14-A18 WeakPolarHBondContact O-CB 3.23Å; G14-A18 PolarHBondContact O-N 3.44Å; A18-N22 VanDerWaalsContact O-CB 3.27Å; A18-N22 WeakPolarHBondContact O-CB 3.38Å; A18-N22 PolarHBondContact O-N 2.85Å
19	Q	46.4	Very low	48.3	Very low	131 Å²	131	92.7 Å²	92.7	61%	0.612	50%	0.498	S	S	*	.	H	α-helix	trans	-70.8	-38.7	174.9	-79.8	176.8	-24	0	0	112.4	Q15 L16 Y23	Q15-Q19 VanDerWaalsContact O-CB 3.25Å; Q15-Q19 WeakPolarHBondContact O-CB 3.12Å; Q15-Q19 VanDerWaalsContact O-CG 3.25Å; Q15-Q19 WeakPolarHBondContact O-CG 3.28Å; Q15-Q19 PolarHBondContact O-N 2.77Å; L16-Q19 PolarHBondContact O-N 3.47Å; Q19-Y23 WeakPolarHBondContact O-CB 3.47Å; Q19-Y23 PolarHBondContact O-N 3.48Å
20	I	44.9	Very low	48.6	Very low	97 Å²	97	94.3 Å²	94.3	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-67.9	-43.9	175.4	-70.1	163.2	0	0	0	109.8	L16 S17 Y23 T24	L16-I20 HydrophobicContact CD2-CD1 4.16Å; L16-I20 HydrophobicContact CG-CD1 4.45Å; L16-I20 VanDerWaalsContact O-CB 3.28Å; L16-I20 WeakPolarHBondContact O-CB 3.36Å; L16-I20 WeakPolarHBondContact O-CD1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.27Å; L16-I20 PolarHBondContact O-N 2.99Å; S17-I20 PolarHBondContact O-N 2.83Å; I20-Y23 PolarHBondContact O-N 3.45Å; I20-T24 PolarHBondContact O-N 3.13Å; I20-T24 PolarHBondContact O-OG1 2.68Å
21	L	40.4	Very low	49.1	Very low	111 Å²	111	93.1 Å²	93.1	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-62.8	-44.6	177.1	-154.6	87.6	0	0	0	111.4	S17 Y23 T24 Q25	S17-L21 WeakPolarHBondContact O-CB 3.25Å; S17-L21 PolarHBondContact O-N 3.34Å; L21-Y23 VanDerWaalsContact C-N 3.35Å; L21-T24 WeakPolarHBondContact CA-OG1 3.39Å; L21-T24 PolarHBondContact O-OG1 3.2Å; L21-Q25 WeakPolarHBondContact O-CB 3.5Å; L21-Q25 PolarHBondContact O-N 2.97Å
22	N	41.2	Very low	50	Low	109 Å²	109	91.9 Å²	91.9	58%	0.583	48%	0.482	S	S	*	.	H	α-helix	trans	-65	-36.8	174.1	-84.1	-10.3	0	0	0	112.3	A18 S26	A18-N22 VanDerWaalsContact O-CB 3.27Å; A18-N22 WeakPolarHBondContact O-CB 3.38Å; A18-N22 PolarHBondContact O-N 2.85Å; N22-S26 VanDerWaalsContact O-CB 3.28Å; N22-S26 WeakPolarHBondContact O-CB 3.26Å; N22-S26 PolarHBondContact O-N 3.4Å; N22-S26 PolarHBondContact O-OG 3.24Å
23	Y	39.6	Very low	50.9	Low	146 Å²	146	89.2 Å²	89.2	57%	0.573	46%	0.463	S	S	*	.	H	α-helix	trans	-70.8	-44.3	178.3	-174.2	-100.1	0	0	0	111.8	Q19 I20 L21 S26 R27	Q19-Y23 WeakPolarHBondContact O-CB 3.47Å; Q19-Y23 PolarHBondContact O-N 3.48Å; I20-Y23 PolarHBondContact O-N 3.45Å; L21-Y23 VanDerWaalsContact C-N 3.35Å; Y23-S26 WeakPolarHBondContact CA-OG 3.43Å; Y23-S26 PolarHBondContact O-N 3.27Å; Y23-S26 PolarHBondContact O-OG 2.71Å; Y23-R27 WeakPolarHBondContact O-CB 3.5Å; Y23-R27 PolarHBondContact O-N 2.8Å
24	T	48	Very low	51.6	Low	64 Å²	64	86.1 Å²	86.1	39%	0.393	46%	0.457	S	S	.	.	H	α-helix	trans	-61.4	-45.6	173.2	45.5	0	0	0	0	111.2	I20 L21 S26 R27 D28	I20-T24 PolarHBondContact O-N 3.13Å; I20-T24 PolarHBondContact O-OG1 2.68Å; L21-T24 WeakPolarHBondContact CA-OG1 3.39Å; L21-T24 PolarHBondContact O-OG1 3.2Å; T24-S26 VanDerWaalsContact C-N 3.32Å; T24-S26 PolarHBondContact O-N 2.94Å; T24-R27 PolarHBondContact O-N 3.39Å; T24-D28 WeakPolarHBondContact O-CB 3.4Å; T24-D28 VanDerWaalsContact O-CG 3.25Å; T24-D28 PolarHBondContact O-N 2.95Å
25	Q	52.3	Low	52.8	Low	104 Å²	104	86.9 Å²	86.9	49%	0.486	45%	0.448	S	S	.	.	H	α-helix	trans	-62.9	-37.4	178.2	-166.5	166.4	5.6	0	0	112.1	L21 L29	L21-Q25 WeakPolarHBondContact O-CB 3.5Å; L21-Q25 PolarHBondContact O-N 2.97Å; Q25-L29 WeakPolarHBondContact O-CB 3.19Å; Q25-L29 PolarHBondContact O-N 2.92Å; Q25-L29 VanDerWaalsContact O-N 3.11Å
26	S	53	Low	53.9	Low	55 Å²	55	80.8 Å²	80.8	39%	0.385	42%	0.42	S	S	.	.	H	α-helix	trans	-67.9	-36.4	175.7	71.1	0	0	0	0	113.7	N22 Y23 T24 E30	N22-S26 VanDerWaalsContact O-CB 3.28Å; N22-S26 WeakPolarHBondContact O-CB 3.26Å; N22-S26 PolarHBondContact O-N 3.4Å; N22-S26 PolarHBondContact O-OG 3.24Å; Y23-S26 WeakPolarHBondContact CA-OG 3.43Å; Y23-S26 PolarHBondContact O-N 3.27Å; Y23-S26 PolarHBondContact O-OG 2.71Å; T24-S26 VanDerWaalsContact C-N 3.32Å; T24-S26 PolarHBondContact O-N 2.94Å; S26-E30 PolarHBondContact O-N 2.93Å; S26-E30 VanDerWaalsContact O-N 3.07Å
27	R	55.6	Low	55.2	Low	148 Å²	148	78.1 Å²	78.1	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-78.7	-37.2	-177.9	-166	178.1	173.1	-169.9	-3.8	112.4	Y23 T24 L29 E30 L31	Y23-R27 WeakPolarHBondContact O-CB 3.5Å; Y23-R27 PolarHBondContact O-N 2.8Å; T24-R27 PolarHBondContact O-N 3.39Å; R27-L29 VanDerWaalsContact C-N 3.31Å; R27-E30 PolarHBondContact O-N 3.23Å; R27-L31 PolarHBondContact O-N 3.15Å; R27-L31 VanDerWaalsContact O-N 3.13Å
28	D	58	Low	56.6	Low	96 Å²	96	81.9 Å²	81.9	51%	0.513	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-39.3	171.6	-65.3	-23.6	0	0	0	110	T24 L31 L32	T24-D28 WeakPolarHBondContact O-CB 3.4Å; T24-D28 VanDerWaalsContact O-CG 3.25Å; T24-D28 PolarHBondContact O-N 2.95Å; D28-L31 PolarHBondContact O-N 3.38Å; D28-L32 WeakPolarHBondContact O-CB 3.28Å; D28-L32 PolarHBondContact O-N 3.23Å
29	L	60.2	Low	58.2	Low	63 Å²	63	79.6 Å²	79.6	33%	0.33	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-45.9	173.7	-149.7	80.4	0	0	0	112.4	Q25 R27 L31 L32 E33 V60	Q25-L29 WeakPolarHBondContact O-CB 3.19Å; Q25-L29 PolarHBondContact O-N 2.92Å; Q25-L29 VanDerWaalsContact O-N 3.11Å; R27-L29 VanDerWaalsContact C-N 3.31Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 3.01Å; L29-L32 PolarHBondContact O-N 2.87Å; L29-E33 WeakPolarHBondContact O-CB 3.45Å; L29-E33 VanDerWaalsContact O-CG 3.24Å; L29-E33 WeakPolarHBondContact O-CG 3.38Å; L29-E33 PolarHBondContact O-N 2.58Å; L29-V60 HydrophobicContact CD1-CG1 3.56Å; L29-V60 HydrophobicContact CD1-CG2 4.31Å; L29-V60 HydrophobicContact CD2-CG1 4.43Å; L29-V60 HydrophobicContact CG-CG1 3.9Å
30	E	61.1	Low	59.6	Low	130 Å²	130	73.8 Å²	73.8	61%	0.607	36%	0.364	S	S	*	.	H	α-helix	trans	-63.7	-34.9	178.6	-80.1	-173.6	165.9	0	0	113.2	S26 R27 G34	S26-E30 PolarHBondContact O-N 2.93Å; S26-E30 VanDerWaalsContact O-N 3.07Å; R27-E30 PolarHBondContact O-N 3.23Å; E30-G34 PolarHBondContact O-N 3.18Å; E30-G34 VanDerWaalsContact O-N 3.12Å
31	L	61.4	Low	61	Low	104 Å²	104	72.4 Å²	72.4	55%	0.545	36%	0.363	S	S	.	.	H	α-helix	trans	-68.2	-46.7	175	-82.5	159.7	0	0	0	111.3	R27 D28 L29 E33 G34 R35	R27-L31 PolarHBondContact O-N 3.15Å; R27-L31 VanDerWaalsContact O-N 3.13Å; D28-L31 PolarHBondContact O-N 3.38Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 3.01Å; L31-E33 VanDerWaalsContact C-N 3.33Å; L31-E33 PolarHBondContact O-N 3.42Å; L31-G34 PolarHBondContact O-N 2.92Å; L31-R35 PolarHBondContact O-N 2.82Å
32	L	64.5	Low	62.7	Low	12 Å²	12	70.7 Å²	70.7	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-56.6	-46.4	174	-166.9	83.9	0	0	0	111.4	D28 L29 G34 R35 L36 V60 Y119 D149	D28-L32 WeakPolarHBondContact O-CB 3.28Å; D28-L32 PolarHBondContact O-N 3.23Å; L29-L32 PolarHBondContact O-N 2.87Å; L32-G34 PolarHBondContact O-N 3.28Å; L32-R35 PolarHBondContact O-N 2.92Å; L32-L36 HydrophobicContact CD2-CD1 4.18Å; L32-L36 HydrophobicContact CG-CD1 3.9Å; L32-L36 HydrophobicContact CG-CG 4.46Å; L32-L36 WeakPolarHBondContact O-CB 3.17Å; L32-L36 VanDerWaalsContact O-CG 3.22Å; L32-L36 WeakPolarHBondContact O-CG 3.22Å; L32-L36 PolarHBondContact O-N 2.95Å; L32-V60 HydrophobicContact CD2-CG1 4.24Å; L32-Y119 HydrophobicContact CD1-CE2 4.3Å; L32-D149 WeakPolarHBondContact CA-OD1 3.49Å; L32-D149 WeakPolarHBondContact CB-OD2 3.31Å; L32-D149 WeakPolarHBondContact CD1-OD1 3.13Å; L32-D149 VanDerWaalsContact CD1-OD2 3.23Å; L32-D149 WeakPolarHBondContact CD1-OD2 3.19Å
33	E	66.2	Low	64.5	Low	9 Å²	9	65.5 Å²	65.5	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-58.3	-47	176.5	-73.6	-177.7	-173.2	0	0	112.2	L29 L31 R35 L36 L37 S63 L64 K67	L29-E33 WeakPolarHBondContact O-CB 3.45Å; L29-E33 VanDerWaalsContact O-CG 3.24Å; L29-E33 WeakPolarHBondContact O-CG 3.38Å; L29-E33 PolarHBondContact O-N 2.58Å; L31-E33 VanDerWaalsContact C-N 3.33Å; L31-E33 PolarHBondContact O-N 3.42Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 PolarHBondContact O-N 3.33Å; E33-L36 PolarHBondContact O-N 3.17Å; E33-L37 WeakPolarHBondContact O-CG 3.34Å; E33-L37 PolarHBondContact O-N 2.04Å; E33-L37 VanDerWaalsContact O-N 3.08Å; E33-S63 WeakPolarHBondContact OE1-CB 3.42Å; E33-S63 PolarHBondContact OE1-OG 3.3Å; E33-L64 HydrophobicContact CB-CD1 4.45Å; E33-L64 HydrophobicContact CB-CD2 4.07Å; E33-L64 HydrophobicContact CB-CG 4.17Å; E33-L64 HydrophobicContact CG-CD1 3.98Å; E33-L64 HydrophobicContact CG-CD2 4.31Å; E33-L64 HydrophobicContact CG-CG 3.84Å; E33-K67 IonicContact OE2-NZ 3.38Å; E33-K67 PolarHBondContact OE2-NZ 3.13Å
34	G	66	Low	66.1	Low	39 Å²	39	60.7 Å²	60.7	40%	0.402	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-36.3	-179.9	0	0	0	0	0	113.3	E30 L31 L32 R38	E30-G34 PolarHBondContact O-N 3.18Å; E30-G34 VanDerWaalsContact O-N 3.12Å; L31-G34 PolarHBondContact O-N 2.92Å; L32-G34 PolarHBondContact O-N 3.28Å; G34-R38 PolarHBondContact O-N 3.36Å
35	R	70.3	Confident	67.4	Low	53 Å²	53	63.8 Å²	63.8	20%	0.2	32%	0.318	C	S	.	.	H	α-helix	trans	-76.8	-38.8	178.6	-130.4	175.1	-160.8	-172.6	8.1	112.1	L31 L32 E33 L37 R38 V39 F148 D149 D152	L31-R35 PolarHBondContact O-N 2.82Å; L32-R35 PolarHBondContact O-N 2.92Å; E33-R35 VanDerWaalsContact C-N 3.34Å; E33-R35 PolarHBondContact O-N 3.33Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-L37 PolarHBondContact O-N 3.44Å; R35-R38 WeakPolarHBondContact O-CB 3.5Å; R35-R38 PolarHBondContact O-N 3.25Å; R35-R38 VanDerWaalsContact O-N 3.08Å; R35-V39 PolarHBondContact O-N 3.43Å; R35-F148 HydrophobicContact CB-CE1 4.13Å; R35-F148 HydrophobicContact CG-CE1 4.29Å; R35-F148 PolarHBondContact NH1-O 2.81Å; R35-D149 PolarHBondContact NH1-O 3.27Å; R35-D152 IonicContact CZ-OD1 3.9Å; R35-D152 IonicContact CZ-OD2 3.04Å; R35-D152 IonicContact NE-OD1 2.7Å; R35-D152 PolarHBondContact NE-OD1 3.13Å; R35-D152 IonicContact NH1-OD1 3.33Å; R35-D152 PolarHBondContact NH1-OD1 3.06Å; R35-D152 IonicContact NH1-OD2 2.59Å; R35-D152 IonicContact NH2-OD1 3.94Å; R35-D152 PolarHBondContact NH2-OD1 3.11Å; R35-D152 IonicContact NH2-OD2 2.77Å; R35-D152 PolarHBondContact NH2-OD2 2.85Å
36	L	71	Confident	68.4	Low	5 Å²	5	61.9 Å²	61.9	3%	0.026	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-40.3	173.3	-75.6	168.5	0	0	0	112.2	L32 E33 R38 V39 L40 Y55 F61 L64	L32-L36 HydrophobicContact CD2-CD1 4.18Å; L32-L36 HydrophobicContact CG-CD1 3.9Å; L32-L36 HydrophobicContact CG-CG 4.46Å; L32-L36 WeakPolarHBondContact O-CB 3.17Å; L32-L36 VanDerWaalsContact O-CG 3.22Å; L32-L36 WeakPolarHBondContact O-CG 3.22Å; L32-L36 PolarHBondContact O-N 2.95Å; E33-L36 PolarHBondContact O-N 3.17Å; L36-R38 VanDerWaalsContact C-N 3.25Å; L36-R38 PolarHBondContact O-N 3.38Å; L36-V39 WeakPolarHBondContact O-CB 3.28Å; L36-V39 PolarHBondContact O-N 3.02Å; L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 3.33Å; L36-Y55 HydrophobicContact CD1-CE1 4.26Å; L36-Y55 HydrophobicContact CD2-CE1 4.04Å; L36-F61 HydrophobicContact CD1-CE1 4.15Å; L36-F61 HydrophobicContact CD1-CZ 4.06Å; L36-L64 HydrophobicContact CD1-CD1 4.09Å
37	L	71.9	Confident	69.3	Low	47 Å²	47	65.1 Å²	65.1	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-59.3	-37.8	173.2	-74.4	170.3	0	0	0	112.1	E33 R35 L40 S41 L64 K67 L68	E33-L37 WeakPolarHBondContact O-CG 3.34Å; E33-L37 PolarHBondContact O-N 2.04Å; E33-L37 VanDerWaalsContact O-N 3.08Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-L37 PolarHBondContact O-N 3.44Å; L37-L40 PolarHBondContact O-N 2.99Å; L37-S41 PolarHBondContact O-N 3.49Å; L37-L64 HydrophobicContact CD1-CD2 4.23Å; L37-L64 HydrophobicContact CD2-CD2 3.87Å; L37-L64 HydrophobicContact CG-CD2 3.68Å; L37-K67 HydrophobicContact CD1-CB 4.04Å; L37-K67 HydrophobicContact CD1-CD 4.25Å; L37-L68 HydrophobicContact CD2-CD2 3.6Å; L37-L68 HydrophobicContact CD2-CG 3.96Å
38	R	74.5	Confident	69.4	Low	148 Å²	148	65.6 Å²	65.6	56%	0.558	33%	0.327	S	S	*	.	H	α-helix	trans	-71.1	-37.3	176.9	-160.5	-177.1	-66.3	166.3	1.1	112.1	G34 R35 L36 L40 S41 R42 F171	G34-R38 PolarHBondContact O-N 3.36Å; R35-R38 WeakPolarHBondContact O-CB 3.5Å; R35-R38 PolarHBondContact O-N 3.25Å; R35-R38 VanDerWaalsContact O-N 3.08Å; L36-R38 VanDerWaalsContact C-N 3.25Å; L36-R38 PolarHBondContact O-N 3.38Å; R38-L40 VanDerWaalsContact C-N 3.34Å; R38-S41 PolarHBondContact O-N 2.9Å; R38-R42 PolarHBondContact O-N 2.92Å; R38-F171 HydrophobicContact CB-CZ 4.49Å; R38-F171 VanDerWaalsContact CD-CZ 3.46Å; R38-F171 HydrophobicContact CG-CE1 3.83Å; R38-F171 HydrophobicContact CG-CZ 4.09Å
39	V	76.8	Confident	69.6	Low	1 Å²	1	62.6 Å²	62.6	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-46.5	170.8	168.5	0	0	0	0	110.4	R35 L36 S41 R42 L43 L117 F148 F170	R35-V39 PolarHBondContact O-N 3.43Å; L36-V39 WeakPolarHBondContact O-CB 3.28Å; L36-V39 PolarHBondContact O-N 3.02Å; V39-S41 VanDerWaalsContact C-N 3.34Å; V39-S41 PolarHBondContact O-N 3.09Å; V39-R42 WeakPolarHBondContact O-CB 3.06Å; V39-R42 PolarHBondContact O-N 3.1Å; V39-R42 VanDerWaalsContact O-N 3.11Å; V39-L43 HydrophobicContact CG1-CD1 4.04Å; V39-L43 HydrophobicContact CG1-CG 4.28Å; V39-L43 WeakPolarHBondContact O-CG 3.44Å; V39-L43 PolarHBondContact O-N 2.93Å; V39-L117 HydrophobicContact CG1-CD2 3.88Å; V39-F148 HydrophobicContact CG2-CE1 3.81Å; V39-F148 HydrophobicContact CG2-CZ 3.42Å; V39-F148 VanDerWaalsContact CG2-CZ 3.42Å; V39-F170 HydrophobicContact CB-CD1 4.38Å; V39-F170 HydrophobicContact CB-CE1 4.18Å; V39-F170 HydrophobicContact CG1-CD1 3.94Å; V39-F170 HydrophobicContact CG1-CE1 3.32Å; V39-F170 HydrophobicContact CG1-CZ 3.74Å; V39-F170 HydrophobicContact CG2-CD1 3.86Å; V39-F170 HydrophobicContact CG2-CD2 4.26Å; V39-F170 HydrophobicContact CG2-CE1 3.88Å; V39-F170 HydrophobicContact CG2-CE2 4.17Å; V39-F170 HydrophobicContact CG2-CG 4.05Å; V39-F170 HydrophobicContact CG2-CZ 4.02Å
40	L	74.3	Confident	69.6	Low	9 Å²	9	61.9 Å²	61.9	5%	0.047	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-39.8	179.1	-68.9	169.7	0	0	0	112.5	L36 L37 R38 R42 L43 N44 L53 L68 L91	L36-L40 WeakPolarHBondContact O-CG 3.48Å; L36-L40 PolarHBondContact O-N 3.33Å; L37-L40 PolarHBondContact O-N 2.99Å; R38-L40 VanDerWaalsContact C-N 3.34Å; L40-R42 VanDerWaalsContact C-N 3.33Å; L40-R42 PolarHBondContact O-N 2.85Å; L40-L43 HydrophobicContact CD2-CD1 4.42Å; L40-L43 PolarHBondContact O-N 3.46Å; L40-N44 PolarHBondContact O-N 3.44Å; L40-L53 HydrophobicContact CD1-CD1 4.11Å; L40-L53 HydrophobicContact CD2-CD1 3.44Å; L40-L53 VanDerWaalsContact CD2-CD1 3.44Å; L40-L53 HydrophobicContact CD2-CD2 3.95Å; L40-L53 HydrophobicContact CD2-CG 4.25Å; L40-L53 HydrophobicContact CG-CD1 4.3Å; L40-L68 HydrophobicContact CD1-CD2 3.72Å; L40-L91 HydrophobicContact CD1-CD2 4.25Å; L40-L91 HydrophobicContact CD2-CD1 4.08Å; L40-L91 HydrophobicContact CD2-CD2 4.32Å
41	S	75.3	Confident	70	Confident	67 Å²	67	55.9 Å²	55.9	47%	0.469	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-42.1	171.4	-180	0	0	0	0	111.8	L37 R38 V39 N44 L45	L37-S41 PolarHBondContact O-N 3.49Å; R38-S41 PolarHBondContact O-N 2.9Å; V39-S41 VanDerWaalsContact C-N 3.34Å; V39-S41 PolarHBondContact O-N 3.09Å; S41-N44 WeakPolarHBondContact O-CB 3.45Å; S41-N44 PolarHBondContact O-N 2.99Å; S41-L45 WeakPolarHBondContact O-CG 3.31Å; S41-L45 PolarHBondContact O-N 3.42Å
42	R	76.8	Confident	70.3	Confident	75 Å²	75	51.1 Å²	51.1	28%	0.283	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-42.5	175.3	178.2	56.1	-179.1	-163.9	-7.3	112.3	R38 V39 L40 N44 L45 E46 D173 I176	R38-R42 PolarHBondContact O-N 2.92Å; V39-R42 WeakPolarHBondContact O-CB 3.06Å; V39-R42 PolarHBondContact O-N 3.1Å; V39-R42 VanDerWaalsContact O-N 3.11Å; L40-R42 VanDerWaalsContact C-N 3.33Å; L40-R42 PolarHBondContact O-N 2.85Å; R42-N44 VanDerWaalsContact C-N 3.25Å; R42-N44 PolarHBondContact O-N 3.03Å; R42-L45 WeakPolarHBondContact O-CB 3.5Å; R42-L45 PolarHBondContact O-N 3.1Å; R42-L45 VanDerWaalsContact O-N 3.1Å; R42-E46 IonicContact NE-OE1 3.54Å; R42-E46 PolarHBondContact O-N 3.08Å; R42-E46 VanDerWaalsContact O-N 3.17Å; R42-D173 IonicContact NH2-OD1 2.74Å; R42-I176 HydrophobicContact CG-CD1 4.46Å
43	L	77.1	Confident	70.7	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-34.1	177	-70.6	180	0	0	0	112.4	V39 L40 E46 E47 T51 R115 L117 I176 Y177	V39-L43 HydrophobicContact CG1-CD1 4.04Å; V39-L43 HydrophobicContact CG1-CG 4.28Å; V39-L43 WeakPolarHBondContact O-CG 3.44Å; V39-L43 PolarHBondContact O-N 2.93Å; L40-L43 HydrophobicContact CD2-CD1 4.42Å; L40-L43 PolarHBondContact O-N 3.46Å; L43-E46 PolarHBondContact O-N 3.25Å; L43-E47 PolarHBondContact O-N 3.14Å; L43-E47 VanDerWaalsContact O-O 3.1Å; L43-T51 HydrophobicContact CD1-CG2 4.38Å; L43-R115 PolarHBondContact O-NH1 2.95Å; L43-L117 HydrophobicContact CD1-CD2 4.43Å; L43-I176 HydrophobicContact CD2-CB 4.49Å; L43-I176 HydrophobicContact CD2-CD1 3.57Å; L43-I176 HydrophobicContact CD2-CG2 4.46Å; L43-Y177 HydrophobicContact CD2-CD2 4.16Å; L43-Y177 HydrophobicContact CD2-CE2 3.58Å
44	N	74.9	Confident	70.7	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.241	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-43.2	171.7	-167.2	28.5	0	0	0	112.2	L40 S41 R42 E46 E47 E48 Y49	L40-N44 PolarHBondContact O-N 3.44Å; S41-N44 WeakPolarHBondContact O-CB 3.45Å; S41-N44 PolarHBondContact O-N 2.99Å; R42-N44 VanDerWaalsContact C-N 3.25Å; R42-N44 PolarHBondContact O-N 3.03Å; N44-E46 VanDerWaalsContact C-N 3.26Å; N44-E46 PolarHBondContact O-N 3.1Å; N44-E47 CarbonylContact O-C 3.54Å; N44-E47 PolarHBondContact O-N 3.35Å; N44-E48 WeakPolarHBondContact OD1-CA 3.48Å; N44-E48 WeakPolarHBondContact OD1-CG 3.35Å; N44-Y49 HydrophobicContact CB-CD1 4.32Å; N44-Y49 HydrophobicContact CB-CE1 3.31Å; N44-Y49 WeakPolarHBondContact CB-OH 3.05Å; N44-Y49 PolarHBondContact ND2-OH 3.46Å; N44-Y49 WeakPolarHBondContact OD1-CE1 3.18Å; N44-Y49 WeakPolarHBondContact OD1-CE2 3.46Å; N44-Y49 PolarHBondContact OD1-OH 3.36Å; N44-Y49 VanDerWaalsContact OD1-OH 3.07Å
45	L	73.6	Confident	70.9	Confident	129 Å²	129	48.6 Å²	48.6	68%	0.675	23%	0.23	S	C	*	.	H	α-helix	trans	-65.8	-29.1	-179.5	-68.7	172.7	0	0	0	112.6	S41 R42	S41-L45 WeakPolarHBondContact O-CG 3.31Å; S41-L45 PolarHBondContact O-N 3.42Å; R42-L45 WeakPolarHBondContact O-CB 3.5Å; R42-L45 PolarHBondContact O-N 3.1Å; R42-L45 VanDerWaalsContact O-N 3.1Å
46	E	74.1	Confident	70.5	Confident	64 Å²	64	46.2 Å²	46.2	30%	0.299	22%	0.222	S	C	.	.	H	α-helix	trans	-72.8	-44.3	175	-70.4	-173.9	178.2	0	0	111.8	R42 L43 N44	R42-E46 IonicContact NE-OE1 3.54Å; R42-E46 PolarHBondContact O-N 3.08Å; R42-E46 VanDerWaalsContact O-N 3.17Å; L43-E46 PolarHBondContact O-N 3.25Å; N44-E46 VanDerWaalsContact C-N 3.26Å; N44-E46 PolarHBondContact O-N 3.1Å
47	E	72.1	Confident	70	Confident	123 Å²	123	53.9 Å²	53.9	58%	0.575	26%	0.255	S	S	*	.	S	Bend	trans	-165.7	133.8	176	177.5	-174.2	-138.2	0	0	109.2	L43 N44 Y49 R115	L43-E47 PolarHBondContact O-N 3.14Å; L43-E47 VanDerWaalsContact O-O 3.1Å; N44-E47 CarbonylContact O-C 3.54Å; N44-E47 PolarHBondContact O-N 3.35Å; E47-Y49 PolarHBondContact O-N 3.21Å; E47-R115 VanDerWaalsContact CB-NH2 3.26Å; E47-R115 VanDerWaalsContact CD-NH2 3.35Å; E47-R115 PolarHBondContact O-NH1 3.47Å; E47-R115 PolarHBondContact O-NH2 3.09Å; E47-R115 IonicContact OE2-CZ 3.24Å; E47-R115 IonicContact OE2-NE 2.97Å; E47-R115 PolarHBondContact OE2-NE 3.06Å; E47-R115 IonicContact OE2-NH1 2.88Å; E47-R115 IonicContact OE2-NH2 3.28Å; E47-R115 PolarHBondContact OE2-NH2 2.77Å
48	E	56.8	Low	69.6	Low	157 Å²	157	58.1 Å²	58.1	73%	0.734	27%	0.273	S	S	*	.	S	Bend	trans	-68	36.6	-165.9	-121.6	174.6	174.7	0	0	116.1	N44	N44-E48 WeakPolarHBondContact OD1-CA 3.48Å; N44-E48 WeakPolarHBondContact OD1-CG 3.35Å
49	Y	61.8	Low	69.1	Low	34 Å²	34	54 Å²	54	13%	0.133	27%	0.266	C	S	.	.			trans	79.3	141.9	175.3	-25.8	-74	0	0	0	119.4	N44 E47 I70 T88	N44-Y49 HydrophobicContact CB-CD1 4.32Å; N44-Y49 HydrophobicContact CB-CE1 3.31Å; N44-Y49 WeakPolarHBondContact CB-OH 3.05Å; N44-Y49 PolarHBondContact ND2-OH 3.46Å; N44-Y49 WeakPolarHBondContact OD1-CE1 3.18Å; N44-Y49 WeakPolarHBondContact OD1-CE2 3.46Å; N44-Y49 PolarHBondContact OD1-OH 3.36Å; N44-Y49 VanDerWaalsContact OD1-OH 3.07Å; E47-Y49 PolarHBondContact O-N 3.21Å; Y49-I70 HydrophobicContact CD2-CG2 4.23Å; Y49-I70 HydrophobicContact CE1-CD1 4.09Å; Y49-I70 HydrophobicContact CE2-CG1 4.5Å; Y49-I70 HydrophobicContact CE2-CG2 3.78Å; Y49-I70 WeakPolarHBondContact OH-CD1 3.49Å; Y49-I70 WeakPolarHBondContact OH-CG1 3.47Å; Y49-T88 CarbonylContact C-O 3.51Å; Y49-T88 CarbonylContact O-C 3.54Å
50	N	62.1	Low	68.3	Low	48 Å²	48	54.9 Å²	54.9	26%	0.257	27%	0.272	S	S	.	.				-159.3	78	129.7	-146.3	-1.3	0	0	0	104.9	T88 R115	N50-T88 WeakPolarHBondContact CA-O 3.4Å; N50-T88 WeakPolarHBondContact CB-O 3.35Å; N50-T88 PolarHBondContact N-O 3.32Å; N50-T88 PolarHBondContact OD1-O 3.24Å; N50-R115 PolarHBondContact O-N 3.47Å; N50-R115 VanDerWaalsContact O-N 3.13Å
51	T	67.9	Low	67.6	Low	3 Å²	3	55 Å²	55	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125	-167.5	-51.6	0	0	0	0	109.7	L43 L53 I92 R115	L43-T51 HydrophobicContact CD1-CG2 4.38Å; T51-L53 HydrophobicContact CG2-CD2 3.57Å; T51-I92 PolarHBondContact O-N 3.45Å; T51-I92 VanDerWaalsContact O-N 3.12Å; T51-R115 CarbonylContact C-O 3.59Å; T51-R115 VanDerWaalsContact CA-O 3.3Å; T51-R115 WeakPolarHBondContact CA-O 3.18Å; T51-R115 HydrophobicContact CG2-CB 4.07Å; T51-R115 WeakPolarHBondContact CG2-O 3.34Å
52	L	68.8	Low	67	Low	4 Å²	4	58.3 Å²	58.3	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.6	172.1	175.5	65.3	0	0	0	108.2	I54 I92 E100 R115 R116 L117	L52-I54 HydrophobicContact CD2-CD1 4.05Å; L52-I54 HydrophobicContact CD2-CG1 4.28Å; L52-I54 HydrophobicContact CG-CD1 4.28Å; L52-I54 HydrophobicContact CG-CG1 3.99Å; L52-I92 CarbonylContact C-O 3.51Å; L52-I92 WeakPolarHBondContact CA-O 3.32Å; L52-I92 HydrophobicContact CD1-CB 3.57Å; L52-I92 HydrophobicContact CD1-CG2 3.38Å; L52-E100 HydrophobicContact CD2-CG 3.95Å; L52-R115 PolarHBondContact N-O 3Å; L52-R116 HydrophobicContact CB-CG 4.31Å; L52-R116 HydrophobicContact CD2-CG 4.25Å; L52-R116 VanDerWaalsContact O-CA 3.23Å; L52-R116 WeakPolarHBondContact O-CA 3.24Å; L52-L117 PolarHBondContact O-N 3.35Å
53	L	72.6	Confident	66.3	Low	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.6	172.9	-44.6	-179.6	0	0	0	109.1	L40 T51 Y55 L91 I92 L93 S94 L117	L40-L53 HydrophobicContact CD1-CD1 4.11Å; L40-L53 HydrophobicContact CD2-CD1 3.44Å; L40-L53 VanDerWaalsContact CD2-CD1 3.44Å; L40-L53 HydrophobicContact CD2-CD2 3.95Å; L40-L53 HydrophobicContact CD2-CG 4.25Å; L40-L53 HydrophobicContact CG-CD1 4.3Å; T51-L53 HydrophobicContact CG2-CD2 3.57Å; L53-Y55 HydrophobicContact CB-CD2 4.05Å; L53-Y55 HydrophobicContact CB-CE2 3.3Å; L53-Y55 HydrophobicContact CD1-CE2 3.81Å; L53-Y55 WeakPolarHBondContact CD1-OH 3.5Å; L53-Y55 HydrophobicContact CG-CE2 4.22Å; L53-L91 HydrophobicContact CD1-CD1 3.83Å; L53-L91 HydrophobicContact CD1-CD2 4.03Å; L53-L91 HydrophobicContact CD1-CG 4.19Å; L53-L91 HydrophobicContact CD2-CD1 4.17Å; L53-L91 HydrophobicContact CG-CD1 3.71Å; L53-L91 HydrophobicContact CG-CG 4.35Å; L53-I92 PolarHBondContact N-O 2.83Å; L53-L93 HydrophobicContact CB-CD2 3.88Å; L53-L93 HydrophobicContact CD1-CD2 3.5Å; L53-L93 HydrophobicContact CG-CD2 3.96Å; L53-S94 PolarHBondContact O-N 2.96Å; L53-L117 HydrophobicContact CD2-CB 3.54Å; L53-L117 HydrophobicContact CD2-CD2 4.05Å; L53-L117 HydrophobicContact CD2-CG 4.42Å
54	I	66.4	Low	65.5	Low	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.7	179.1	-56	171.1	0	0	0	106.8	L52 E100 R116 L117 I118 Y119 Y133	L52-I54 HydrophobicContact CD2-CD1 4.05Å; L52-I54 HydrophobicContact CD2-CG1 4.28Å; L52-I54 HydrophobicContact CG-CD1 4.28Å; L52-I54 HydrophobicContact CG-CG1 3.99Å; I54-E100 HydrophobicContact CD1-CB 4.14Å; I54-E100 HydrophobicContact CD1-CG 4.3Å; I54-E100 WeakPolarHBondContact CD1-OE2 3.01Å; I54-R116 HydrophobicContact CD1-CG 4.44Å; I54-L117 PolarHBondContact N-O 3.26Å; I54-I118 HydrophobicContact CB-CG1 4.42Å; I54-I118 VanDerWaalsContact O-CA 3.25Å; I54-I118 WeakPolarHBondContact O-CA 3.39Å; I54-Y119 PolarHBondContact O-N 3.02Å; I54-Y119 VanDerWaalsContact O-N 3.11Å; I54-Y133 WeakPolarHBondContact CD1-OH 3.19Å
55	Y	69.6	Low	65.1	Low	7 Å²	7	57.2 Å²	57.2	3%	0.027	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	157.8	177.4	-64.3	-85.6	0	0	0	110	L36 L53 F61 L93 S94 G96 Y119	L36-Y55 HydrophobicContact CD1-CE1 4.26Å; L36-Y55 HydrophobicContact CD2-CE1 4.04Å; L53-Y55 HydrophobicContact CB-CD2 4.05Å; L53-Y55 HydrophobicContact CB-CE2 3.3Å; L53-Y55 HydrophobicContact CD1-CE2 3.81Å; L53-Y55 WeakPolarHBondContact CD1-OH 3.5Å; L53-Y55 HydrophobicContact CG-CE2 4.22Å; Y55-F61 HydrophobicContact CD1-CD2 4.26Å; Y55-F61 AromaticContact CD1-CE1 3.94Å; Y55-F61 HydrophobicContact CD1-CE1 3.94Å; Y55-F61 AromaticContact CD1-CE2 3.22Å; Y55-F61 HydrophobicContact CD1-CE2 3.22Å; Y55-F61 AromaticContact CD1-CZ 3.02Å; Y55-F61 HydrophobicContact CD1-CZ 3.02Å; Y55-F61 AromaticContact CD2-CD1 3.87Å; Y55-F61 HydrophobicContact CD2-CD1 3.87Å; Y55-F61 AromaticContact CD2-CD2 3.2Å; Y55-F61 HydrophobicContact CD2-CD2 3.2Å; Y55-F61 AromaticContact CD2-CE1 3.61Å; Y55-F61 HydrophobicContact CD2-CE1 3.61Å; Y55-F61 AromaticContact CD2-CE2 3Å; Y55-F61 HydrophobicContact CD2-CE2 3Å; Y55-F61 AromaticContact CD2-CG 3.73Å; Y55-F61 HydrophobicContact CD2-CG 3.73Å; Y55-F61 AromaticContact CD2-CZ 3.25Å; Y55-F61 HydrophobicContact CD2-CZ 3.25Å; Y55-F61 AromaticContact CE1-CE1 3.47Å; Y55-F61 HydrophobicContact CE1-CE1 3.47Å; Y55-F61 VanDerWaalsContact CE1-CE1 3.47Å; Y55-F61 AromaticContact CE1-CE2 3.69Å; Y55-F61 HydrophobicContact CE1-CE2 3.69Å; Y55-F61 AromaticContact CE1-CZ 2.97Å; Y55-F61 HydrophobicContact CE1-CZ 2.97Å; Y55-F61 AromaticContact CE2-CD1 3.38Å; Y55-F61 HydrophobicContact CE2-CD1 3.38Å; Y55-F61 AromaticContact CE2-CD2 3.68Å; Y55-F61 HydrophobicContact CE2-CD2 3.68Å; Y55-F61 AromaticContact CE2-CE1 3.02Å; Y55-F61 HydrophobicContact CE2-CE1 3.02Å; Y55-F61 AromaticContact CE2-CE2 3.45Å; Y55-F61 HydrophobicContact CE2-CE2 3.45Å; Y55-F61 VanDerWaalsContact CE2-CE2 3.45Å; Y55-F61 AromaticContact CE2-CG 3.75Å; Y55-F61 HydrophobicContact CE2-CG 3.75Å; Y55-F61 AromaticContact CE2-CZ 3.13Å; Y55-F61 HydrophobicContact CE2-CZ 3.13Å; Y55-F61 AromaticContact CG-CD2 3.5Å; Y55-F61 HydrophobicContact CG-CD2 3.5Å; Y55-F61 AromaticContact CG-CE1 4Å; Y55-F61 HydrophobicContact CG-CE1 4Å; Y55-F61 AromaticContact CG-CE2 2.82Å; Y55-F61 HydrophobicContact CG-CE2 2.82Å; Y55-F61 HydrophobicContact CG-CG 4.4Å; Y55-F61 AromaticContact CG-CZ 3.15Å; Y55-F61 HydrophobicContact CG-CZ 3.15Å; Y55-F61 AromaticContact CZ-CD1 3.79Å; Y55-F61 AromaticContact CZ-CE1 2.93Å; Y55-F61 AromaticContact CZ-CE2 3.76Å; Y55-F61 AromaticContact CZ-CZ 2.99Å; Y55-F61 WeakPolarHBondContact OH-CE1 3.21Å; Y55-L93 HydrophobicContact CE2-CD2 4.18Å; Y55-S94 PolarHBondContact N-O 3.11Å; Y55-G96 PolarHBondContact O-N 3.45Å; Y55-Y119 HydrophobicContact CD1-CG 4.46Å
56	G	63.1	Low	64.8	Low	3 Å²	3	62.1 Å²	62.1	3%	0.031	29%	0.292	C	S	.	.			trans	-59.2	-163.5	-177.7	0	0	0	0	0	113.2	E58 G96	G56-E58 PolarHBondContact O-N 2.95Å; G56-G96 PolarHBondContact O-N 3.02Å
57	K	60.3	Low	64.5	Low	166 Å²	166	64.4 Å²	64.4	72%	0.722	30%	0.301	S	S	*	.	S	Bend	trans	-58.4	-22.6	-176	-73.6	176.5	179.1	166.4	0	114.4
58	E	62.1	Low	64.3	Low	136 Å²	136	59.7 Å²	59.7	64%	0.636	28%	0.28	S	S	*	.	S	Bend	trans	-96.7	124.5	178.8	-61.7	-169.1	171	0	0	112.3	G56 V60	G56-E58 PolarHBondContact O-N 2.95Å; E58-V60 HydrophobicContact CB-CG2 4.44Å; E58-V60 PolarHBondContact O-N 3.19Å
59	C	64.5	Low	65	Low	61 Å²	61	61.7 Å²	61.7	41%	0.412	29%	0.289	S	S	.	.			trans	-76.4	79.4	176.1	-78.6	0	0	0	0	112.3	F61 C95	C59-F61 PolarHBondContact O-N 3.35Å; C59-F61 VanDerWaalsContact O-N 3.13Å; C59-C95 WeakPolarHBondContact CA-SG 3.46Å; C59-C95 HydrophobicContact CB-CB 4.14Å; C59-C95 WeakPolarHBondContact CB-SG 3.43Å; C59-C95 WeakPolarHBondContact SG-CB 3.34Å; C59-C95 CovalentContact SG-SG 2.03Å; C59-C95 PolarHBondContact SG-SG 3.3Å
60	V	61.4	Low	65.4	Low	21 Å²	21	61.7 Å²	61.7	13%	0.127	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-0.9	178.4	-169.4	0	0	0	0	113.1	L29 L32 E58 S63	L29-V60 HydrophobicContact CD1-CG1 3.56Å; L29-V60 HydrophobicContact CD1-CG2 4.31Å; L29-V60 HydrophobicContact CD2-CG1 4.43Å; L29-V60 HydrophobicContact CG-CG1 3.9Å; L32-V60 HydrophobicContact CD2-CG1 4.24Å; E58-V60 HydrophobicContact CB-CG2 4.44Å; E58-V60 PolarHBondContact O-N 3.19Å; V60-S63 PolarHBondContact O-OG 3.41Å; V60-S63 VanDerWaalsContact O-OG 3.12Å
61	F	58.5	Low	66.1	Low	11 Å²	11	63.3 Å²	63.3	5%	0.048	30%	0.304	C	S	.	.	H	α-helix	trans	-96.4	-14.4	-163.5	-65	-77	0	0	0	116.1	L36 Y55 C59 S63 L64 L65 L93	L36-F61 HydrophobicContact CD1-CE1 4.15Å; L36-F61 HydrophobicContact CD1-CZ 4.06Å; Y55-F61 HydrophobicContact CD1-CD2 4.26Å; Y55-F61 AromaticContact CD1-CE1 3.94Å; Y55-F61 HydrophobicContact CD1-CE1 3.94Å; Y55-F61 AromaticContact CD1-CE2 3.22Å; Y55-F61 HydrophobicContact CD1-CE2 3.22Å; Y55-F61 AromaticContact CD1-CZ 3.02Å; Y55-F61 HydrophobicContact CD1-CZ 3.02Å; Y55-F61 AromaticContact CD2-CD1 3.87Å; Y55-F61 HydrophobicContact CD2-CD1 3.87Å; Y55-F61 AromaticContact CD2-CD2 3.2Å; Y55-F61 HydrophobicContact CD2-CD2 3.2Å; Y55-F61 AromaticContact CD2-CE1 3.61Å; Y55-F61 HydrophobicContact CD2-CE1 3.61Å; Y55-F61 AromaticContact CD2-CE2 3Å; Y55-F61 HydrophobicContact CD2-CE2 3Å; Y55-F61 AromaticContact CD2-CG 3.73Å; Y55-F61 HydrophobicContact CD2-CG 3.73Å; Y55-F61 AromaticContact CD2-CZ 3.25Å; Y55-F61 HydrophobicContact CD2-CZ 3.25Å; Y55-F61 AromaticContact CE1-CE1 3.47Å; Y55-F61 HydrophobicContact CE1-CE1 3.47Å; Y55-F61 VanDerWaalsContact CE1-CE1 3.47Å; Y55-F61 AromaticContact CE1-CE2 3.69Å; Y55-F61 HydrophobicContact CE1-CE2 3.69Å; Y55-F61 AromaticContact CE1-CZ 2.97Å; Y55-F61 HydrophobicContact CE1-CZ 2.97Å; Y55-F61 AromaticContact CE2-CD1 3.38Å; Y55-F61 HydrophobicContact CE2-CD1 3.38Å; Y55-F61 AromaticContact CE2-CD2 3.68Å; Y55-F61 HydrophobicContact CE2-CD2 3.68Å; Y55-F61 AromaticContact CE2-CE1 3.02Å; Y55-F61 HydrophobicContact CE2-CE1 3.02Å; Y55-F61 AromaticContact CE2-CE2 3.45Å; Y55-F61 HydrophobicContact CE2-CE2 3.45Å; Y55-F61 VanDerWaalsContact CE2-CE2 3.45Å; Y55-F61 AromaticContact CE2-CG 3.75Å; Y55-F61 HydrophobicContact CE2-CG 3.75Å; Y55-F61 AromaticContact CE2-CZ 3.13Å; Y55-F61 HydrophobicContact CE2-CZ 3.13Å; Y55-F61 AromaticContact CG-CD2 3.5Å; Y55-F61 HydrophobicContact CG-CD2 3.5Å; Y55-F61 AromaticContact CG-CE1 4Å; Y55-F61 HydrophobicContact CG-CE1 4Å; Y55-F61 AromaticContact CG-CE2 2.82Å; Y55-F61 HydrophobicContact CG-CE2 2.82Å; Y55-F61 HydrophobicContact CG-CG 4.4Å; Y55-F61 AromaticContact CG-CZ 3.15Å; Y55-F61 HydrophobicContact CG-CZ 3.15Å; Y55-F61 AromaticContact CZ-CD1 3.79Å; Y55-F61 AromaticContact CZ-CE1 2.93Å; Y55-F61 AromaticContact CZ-CE2 3.76Å; Y55-F61 AromaticContact CZ-CZ 2.99Å; Y55-F61 WeakPolarHBondContact OH-CE1 3.21Å; C59-F61 PolarHBondContact O-N 3.35Å; C59-F61 VanDerWaalsContact O-N 3.13Å; F61-S63 PolarHBondContact O-N 3.1Å; F61-L64 HydrophobicContact CD1-CB 4.24Å; F61-L64 HydrophobicContact CD1-CD1 3.61Å; F61-L64 HydrophobicContact CE1-CD1 3.3Å; F61-L64 HydrophobicContact CZ-CD1 4.05Å; F61-L64 PolarHBondContact O-N 3.09Å; F61-L64 VanDerWaalsContact O-N 3.17Å; F61-L65 WeakPolarHBondContact O-CG 3.3Å; F61-L65 PolarHBondContact O-N 2.85Å; F61-L65 VanDerWaalsContact O-N 3.13Å; F61-L93 HydrophobicContact CB-CD1 4.31Å; F61-L93 HydrophobicContact CD1-CD2 4.28Å
62	H	62.7	Low	66.4	Low	136 Å²	136	64.7 Å²	64.7	63%	0.63	32%	0.316	S	S	*	.	H	α-helix	trans	-61.5	-29.5	178.8	-75.3	-60.1	0	0	0	112.4
63	S	61.5	Low	66.7	Low	43 Å²	43	66.3 Å²	66.3	30%	0.301	33%	0.326	S	S	.	.	H	α-helix	trans	-79.2	-38	174.4	47.9	0	0	0	0	112.9	E33 V60 F61 R66	E33-S63 WeakPolarHBondContact OE1-CB 3.42Å; E33-S63 PolarHBondContact OE1-OG 3.3Å; V60-S63 PolarHBondContact O-OG 3.41Å; V60-S63 VanDerWaalsContact O-OG 3.12Å; F61-S63 PolarHBondContact O-N 3.1Å; S63-R66 PolarHBondContact O-N 3.03Å
64	L	60.5	Low	66.9	Low	2 Å²	2	69.6 Å²	69.6	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-66.8	-34.6	-179.7	-88.3	153.2	0	0	0	114	E33 L36 L37 F61 R66 K67 L68	E33-L64 HydrophobicContact CB-CD1 4.45Å; E33-L64 HydrophobicContact CB-CD2 4.07Å; E33-L64 HydrophobicContact CB-CG 4.17Å; E33-L64 HydrophobicContact CG-CD1 3.98Å; E33-L64 HydrophobicContact CG-CD2 4.31Å; E33-L64 HydrophobicContact CG-CG 3.84Å; L36-L64 HydrophobicContact CD1-CD1 4.09Å; L37-L64 HydrophobicContact CD1-CD2 4.23Å; L37-L64 HydrophobicContact CD2-CD2 3.87Å; L37-L64 HydrophobicContact CG-CD2 3.68Å; F61-L64 HydrophobicContact CD1-CB 4.24Å; F61-L64 HydrophobicContact CD1-CD1 3.61Å; F61-L64 HydrophobicContact CE1-CD1 3.3Å; F61-L64 HydrophobicContact CZ-CD1 4.05Å; F61-L64 PolarHBondContact O-N 3.09Å; F61-L64 VanDerWaalsContact O-N 3.17Å; L64-R66 PolarHBondContact O-N 3.01Å; L64-R66 VanDerWaalsContact O-N 3.1Å; L64-K67 PolarHBondContact O-N 3.13Å; L64-L68 HydrophobicContact CB-CD1 4.42Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.27Å
65	L	66.3	Low	67.2	Low	54 Å²	54	70 Å²	70	28%	0.283	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.3	176.8	-77.8	162.7	0	0	0	113.5	F61 K67 A72 T74 L93	F61-L65 WeakPolarHBondContact O-CG 3.3Å; F61-L65 PolarHBondContact O-N 2.85Å; F61-L65 VanDerWaalsContact O-N 3.13Å; L65-K67 VanDerWaalsContact C-N 3.3Å; L65-K67 PolarHBondContact O-N 2.86Å; L65-A72 HydrophobicContact CD2-CB 3.66Å; L65-T74 HydrophobicContact CD1-CG2 3.37Å; L65-T74 HydrophobicContact CD2-CG2 4.19Å; L65-T74 HydrophobicContact CG-CG2 4.32Å; L65-L93 HydrophobicContact CD2-CD1 3.61Å; L65-L93 HydrophobicContact CG-CD1 4.04Å
66	R	67.4	Low	66.9	Low	231 Å²	231	75.5 Å²	75.5	87%	0.872	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-23.6	178.7	-66.8	-174.9	178.5	-178	0.4	113.5	S63 L64	S63-R66 PolarHBondContact O-N 3.03Å; L64-R66 PolarHBondContact O-N 3.01Å; L64-R66 VanDerWaalsContact O-N 3.1Å
67	K	68.1	Low	66.9	Low	113 Å²	113	78.6 Å²	78.6	49%	0.491	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-7.6	-175.7	-62.7	175.9	-177.2	166.4	0	112.4	E33 L37 L64 L65	E33-K67 IonicContact OE2-NZ 3.38Å; E33-K67 PolarHBondContact OE2-NZ 3.13Å; L37-K67 HydrophobicContact CD1-CB 4.04Å; L37-K67 HydrophobicContact CD1-CD 4.25Å; L64-K67 PolarHBondContact O-N 3.13Å; L65-K67 VanDerWaalsContact C-N 3.3Å; L65-K67 PolarHBondContact O-N 2.86Å
68	L	68.8	Low	66.9	Low	23 Å²	23	71.2 Å²	71.2	12%	0.12	38%	0.377	C	S	.	.			trans	-85.9	121	179.8	-76.2	162.2	0	0	0	110.2	L37 L40 L64 I70 L91	L37-L68 HydrophobicContact CD2-CD2 3.6Å; L37-L68 HydrophobicContact CD2-CG 3.96Å; L40-L68 HydrophobicContact CD1-CD2 3.72Å; L64-L68 HydrophobicContact CB-CD1 4.42Å; L64-L68 WeakPolarHBondContact O-CG 3.4Å; L64-L68 PolarHBondContact O-N 3.27Å; L68-I70 HydrophobicContact CD2-CD1 4.39Å; L68-I70 PolarHBondContact O-N 3.11Å; L68-L91 HydrophobicContact CD1-CD2 4.22Å
69	E	70.8	Confident	67.1	Low	200 Å²	200	67.4 Å²	67.4	94%	0.935	37%	0.366	S	S	*	.			trans	-82.7	11.1	171.5	-63.1	-176.5	170.1	0	0	112.6
70	I	70.8	Confident	67.2	Low	33 Å²	33	65 Å²	65	17%	0.169	35%	0.349	C	S	.	.	S	Bend	trans	-110.1	140.3	-172.9	-54.8	162.6	0	0	0	108.9	Y49 L68 A72 L91	Y49-I70 HydrophobicContact CD2-CG2 4.23Å; Y49-I70 HydrophobicContact CE1-CD1 4.09Å; Y49-I70 HydrophobicContact CE2-CG1 4.5Å; Y49-I70 HydrophobicContact CE2-CG2 3.78Å; Y49-I70 WeakPolarHBondContact OH-CD1 3.49Å; Y49-I70 WeakPolarHBondContact OH-CG1 3.47Å; L68-I70 HydrophobicContact CD2-CD1 4.39Å; L68-I70 PolarHBondContact O-N 3.11Å; I70-A72 PolarHBondContact O-N 3.07Å; I70-A72 VanDerWaalsContact O-N 3.07Å; I70-L91 HydrophobicContact CG2-CB 4.5Å
71	P	75.1	Confident	67.3	Low	83 Å²	83	71.1 Å²	71.1	54%	0.539	38%	0.381	S	S	.	.			trans	-57.7	114.7	171.3	-21.1	32.7	0	0	0	110.7	I90 L91	P71-I90 HydrophobicContact CB-CG1 4.29Å; P71-L91 PolarHBondContact O-N 3.13Å
72	A	75.2	Confident	67.9	Low	32 Å²	32	76.8 Å²	76.8	26%	0.264	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.1	-179.2	0	0	0	0	0	111.2	L65 I70 L91 L93	L65-A72 HydrophobicContact CD2-CB 3.66Å; I70-A72 PolarHBondContact O-N 3.07Å; I70-A72 VanDerWaalsContact O-N 3.07Å; A72-L91 CarbonylContact C-O 3.49Å; A72-L91 VanDerWaalsContact CA-O 3.23Å; A72-L91 WeakPolarHBondContact CA-O 3.48Å; A72-L91 HydrophobicContact CB-CB 4.18Å; A72-L91 HydrophobicContact CB-CD2 4.45Å; A72-L93 HydrophobicContact CB-CD1 4.17Å
73	V	76.1	Confident	68.2	Low	37 Å²	37	74.3 Å²	74.3	22%	0.224	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.9	176.2	177.2	0	0	0	0	108.3	V75 F86 I90 L91 L93	V73-V75 HydrophobicContact CG1-CG2 4.33Å; V73-F86 HydrophobicContact CB-CE1 4.49Å; V73-F86 HydrophobicContact CB-CZ 4.32Å; V73-F86 HydrophobicContact CG1-CE1 4.27Å; V73-F86 HydrophobicContact CG1-CE2 4.19Å; V73-F86 HydrophobicContact CG1-CZ 3.73Å; V73-F86 HydrophobicContact CG2-CD1 4.02Å; V73-F86 HydrophobicContact CG2-CE1 3.63Å; V73-F86 HydrophobicContact CG2-CZ 3.95Å; V73-I90 HydrophobicContact CB-CG2 4.31Å; V73-I90 HydrophobicContact CG2-CG2 3.68Å; V73-L91 PolarHBondContact N-O 2.93Å; V73-L93 PolarHBondContact O-N 2.94Å
74	T	75.4	Confident	68.8	Low	69 Å²	69	72.9 Å²	72.9	42%	0.423	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.2	172.6	53.3	0	0	0	0	110.2	L65 P76 L93	L65-T74 HydrophobicContact CD1-CG2 3.37Å; L65-T74 HydrophobicContact CD2-CG2 4.19Å; L65-T74 HydrophobicContact CG-CG2 4.32Å; T74-P76 VanDerWaalsContact O-CD 3.31Å; T74-P76 WeakPolarHBondContact O-CD 3.17Å; T74-L93 WeakPolarHBondContact CA-O 3.33Å; T74-L93 HydrophobicContact CG2-CB 4.46Å
75	V	72.6	Confident	69.1	Low	10 Å²	10	78 Å²	78	6%	0.061	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	98.4	176.7	-178.1	0	0	0	0	107.8	V73 S77 W84 I92 L93	V73-V75 HydrophobicContact CG1-CG2 4.33Å; V75-S77 VanDerWaalsContact CG1-O 3.26Å; V75-S77 WeakPolarHBondContact CG1-O 3.33Å; V75-W84 HydrophobicContact CB-CH2 4.45Å; V75-W84 HydrophobicContact CG1-CH2 4.14Å; V75-W84 HydrophobicContact CG1-CZ2 3.93Å; V75-W84 HydrophobicContact CG2-CH2 3.71Å; V75-W84 HydrophobicContact CG2-CZ2 3.83Å; V75-I92 HydrophobicContact CG2-CG2 3.62Å; V75-L93 PolarHBondContact N-O 3.06Å
76	P	63.6	Low	69	Low	121 Å²	121	78.9 Å²	78.9	79%	0.786	42%	0.42	S	S	*	.			trans	-79.6	-19.4	-175.6	30.5	-34.7	0	0	0	113.5	T74	T74-P76 VanDerWaalsContact O-CD 3.31Å; T74-P76 WeakPolarHBondContact O-CD 3.17Å
77	S	62.4	Low	68.9	Low	69 Å²	69	71.3 Å²	71.3	48%	0.483	40%	0.402	S	S	.	.	S	Bend	trans	-127.5	130.6	-179.4	54.8	0	0	0	0	110	V75 S79	V75-S77 VanDerWaalsContact CG1-O 3.26Å; V75-S77 WeakPolarHBondContact CG1-O 3.33Å; S77-S79 PolarHBondContact O-N 3.34Å; S77-S79 VanDerWaalsContact O-N 3.1Å
78	G	60.9	Low	68.9	Low	11 Å²	11	70.3 Å²	70.3	11%	0.113	41%	0.406	C	S	.	.	S	Bend	trans	-71	-3.4	-168.2	0	0	0	0	0	118.7	A99 N101 E102	G78-A99 WeakPolarHBondContact CA-O 3Å; G78-N101 CarbonylContact O-C 3.57Å; G78-N101 VanDerWaalsContact O-CA 3.32Å; G78-N101 WeakPolarHBondContact O-CA 3.39Å; G78-N101 PolarHBondContact O-N 2.91Å; G78-E102 PolarHBondContact O-N 2.91Å
79	S	66.1	Low	69	Low	55 Å²	55	71 Å²	71	39%	0.385	42%	0.415	S	S	.	.			trans	-127.8	130.5	-179.3	60.1	0	0	0	0	108.9	S77 N101	S77-S79 PolarHBondContact O-N 3.34Å; S77-S79 VanDerWaalsContact O-N 3.1Å; S79-N101 WeakPolarHBondContact CA-O 2.81Å; S79-N101 WeakPolarHBondContact CB-O 3.24Å
80	T	66	Low	69.2	Low	10 Å²	10	62.7 Å²	62.7	6%	0.061	38%	0.377	C	S	.	.			trans	-116.3	142.3	169.2	62.3	0	0	0	0	111.3	Y82 W84 E102	T80-Y82 HydrophobicContact CG2-CE1 4.01Å; T80-W84 HydrophobicContact CG2-CZ2 3.8Å; T80-W84 PolarHBondContact OG1-NE1 3.05Å; T80-E102 PolarHBondContact N-OE2 3.01Å; T80-E102 PolarHBondContact OG1-OE1 3.15Å; T80-E102 PolarHBondContact OG1-OE2 2.88Å
81	D	64.9	Low	69.5	Low	151 Å²	151	61.3 Å²	61.3	81%	0.807	37%	0.37	S	S	*	.	S	Bend	trans	-90.7	-5.6	177.1	63.3	-18.2	0	0	0	112.6
82	Y	69.6	Low	69.6	Low	129 Å²	129	57.6 Å²	57.6	51%	0.506	35%	0.345	S	S	.	.	S	Bend	trans	-113.5	154.2	-179.3	62.9	-91	0	0	0	112.8	T80 W84 T107	T80-Y82 HydrophobicContact CG2-CE1 4.01Å; Y82-W84 AromaticContact CE2-CD1 3.64Å; Y82-W84 AromaticContact CE2-NE1 3.93Å; Y82-W84 PolarHBondContact O-N 3.34Å; Y82-T107 PolarHBondContact O-OG1 3.27Å
83	D	70.1	Confident	69.7	Low	84 Å²	84	56.3 Å²	56.3	45%	0.449	33%	0.334	S	S	.	.			trans	-69.1	122.2	176.5	-71.9	-5.7	0	0	0	110.8	S85 N104	D83-S85 PolarHBondContact O-N 2.76Å; D83-N104 PolarHBondContact OD1-ND2 2.87Å; D83-N104 PolarHBondContact OD1-OD1 2.94Å
84	W	74.4	Confident	69.7	Low	14 Å²	14	54.7 Å²	54.7	5%	0.053	33%	0.325	C	S	.	.			trans	-70.6	118.4	174.3	-73.3	14.7	0	0	0	110.1	V75 T80 Y82 F86 I92 E102 T107 K110 L111	V75-W84 HydrophobicContact CB-CH2 4.45Å; V75-W84 HydrophobicContact CG1-CH2 4.14Å; V75-W84 HydrophobicContact CG1-CZ2 3.93Å; V75-W84 HydrophobicContact CG2-CH2 3.71Å; V75-W84 HydrophobicContact CG2-CZ2 3.83Å; T80-W84 HydrophobicContact CG2-CZ2 3.8Å; T80-W84 PolarHBondContact OG1-NE1 3.05Å; Y82-W84 AromaticContact CE2-CD1 3.64Å; Y82-W84 AromaticContact CE2-NE1 3.93Å; Y82-W84 PolarHBondContact O-N 3.34Å; W84-F86 HydrophobicContact CB-CD2 4.07Å; W84-F86 HydrophobicContact CB-CE2 4.21Å; W84-F86 HydrophobicContact CD2-CD2 4.28Å; W84-F86 AromaticContact CD2-CE2 3.98Å; W84-F86 HydrophobicContact CD2-CE2 3.98Å; W84-F86 HydrophobicContact CE3-CD2 4.24Å; W84-F86 HydrophobicContact CE3-CE2 4.25Å; W84-F86 HydrophobicContact CG-CD2 4.25Å; W84-F86 AromaticContact CG-CE2 3.98Å; W84-F86 HydrophobicContact CG-CE2 3.98Å; W84-I92 HydrophobicContact CE3-CD1 3.76Å; W84-I92 HydrophobicContact CH2-CG2 4.19Å; W84-I92 HydrophobicContact CZ3-CD1 3.57Å; W84-I92 HydrophobicContact CZ3-CG2 4.01Å; W84-E102 WeakPolarHBondContact CH2-OE1 3.31Å; W84-E102 WeakPolarHBondContact CZ2-OE1 3.4Å; W84-T107 HydrophobicContact CB-CG2 3.77Å; W84-T107 HydrophobicContact CD2-CG2 3.53Å; W84-T107 HydrophobicContact CE3-CG2 3.88Å; W84-T107 HydrophobicContact CG-CG2 3.47Å; W84-T107 VanDerWaalsContact CG-CG2 3.47Å; W84-T107 PolarHBondContact N-OG1 3.06Å; W84-K110 WeakPolarHBondContact O-CD 3.42Å; W84-K110 PolarHBondContact O-NZ 3.03Å; W84-L111 HydrophobicContact CE3-CD1 3.94Å; W84-L111 HydrophobicContact CE3-CD2 3.9Å; W84-L111 HydrophobicContact CE3-CG 4.24Å; W84-L111 HydrophobicContact CH2-CD1 4.24Å; W84-L111 HydrophobicContact CZ3-CD1 3.61Å; W84-L111 HydrophobicContact CZ3-CD2 3.81Å; W84-L111 HydrophobicContact CZ3-CG 4.24Å
85	S	65.7	Low	69.6	Low	108 Å²	108	53.2 Å²	53.2	76%	0.755	32%	0.316	S	S	*	.			trans	-113.7	48.8	177.7	67.4	0	0	0	0	111.3	D83	D83-S85 PolarHBondContact O-N 2.76Å
86	F	65.5	Low	69.4	Low	73 Å²	73	53.3 Å²	53.3	32%	0.32	32%	0.32	S	S	.	.			trans	-82.2	141.6	175.6	-64.2	-55	0	0	0	110.9	V73 W84 I90 I92	V73-F86 HydrophobicContact CB-CE1 4.49Å; V73-F86 HydrophobicContact CB-CZ 4.32Å; V73-F86 HydrophobicContact CG1-CE1 4.27Å; V73-F86 HydrophobicContact CG1-CE2 4.19Å; V73-F86 HydrophobicContact CG1-CZ 3.73Å; V73-F86 HydrophobicContact CG2-CD1 4.02Å; V73-F86 HydrophobicContact CG2-CE1 3.63Å; V73-F86 HydrophobicContact CG2-CZ 3.95Å; W84-F86 HydrophobicContact CB-CD2 4.07Å; W84-F86 HydrophobicContact CB-CE2 4.21Å; W84-F86 HydrophobicContact CD2-CD2 4.28Å; W84-F86 AromaticContact CD2-CE2 3.98Å; W84-F86 HydrophobicContact CD2-CE2 3.98Å; W84-F86 HydrophobicContact CE3-CD2 4.24Å; W84-F86 HydrophobicContact CE3-CE2 4.25Å; W84-F86 HydrophobicContact CG-CD2 4.25Å; W84-F86 AromaticContact CG-CE2 3.98Å; W84-F86 HydrophobicContact CG-CE2 3.98Å; F86-I90 HydrophobicContact CB-CB 4.3Å; F86-I90 HydrophobicContact CB-CD1 3.77Å; F86-I90 HydrophobicContact CB-CG2 4.5Å; F86-I90 HydrophobicContact CD1-CD1 3.7Å; F86-I90 HydrophobicContact CG-CD1 4.11Å; F86-I92 HydrophobicContact CD2-CD1 4.26Å
87	S	64.3	Low	69.4	Low	72 Å²	72	49.5 Å²	49.5	50%	0.503	29%	0.29	S	S	.	.			trans	-58.4	151.5	166	178.4	0	0	0	0	109.4	A89 I90	S87-A89 PolarHBondContact O-N 3.1Å; S87-A89 VanDerWaalsContact O-N 3.13Å; S87-A89 PolarHBondContact OG-N 2.03Å; S87-I90 PolarHBondContact O-N 3.4Å
88	T	67.9	Low	69.4	Low	92 Å²	92	52.4 Å²	52.4	56%	0.564	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-32.4	174.2	49.9	0	0	0	0	111.3	Y49 N50 I90	Y49-T88 CarbonylContact C-O 3.51Å; Y49-T88 CarbonylContact O-C 3.54Å; N50-T88 WeakPolarHBondContact CA-O 3.4Å; N50-T88 WeakPolarHBondContact CB-O 3.35Å; N50-T88 PolarHBondContact N-O 3.32Å; N50-T88 PolarHBondContact OD1-O 3.24Å; T88-I90 PolarHBondContact O-N 2.98Å
89	A	70.7	Confident	69.6	Low	39 Å²	39	52.5 Å²	52.5	32%	0.322	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	24.2	-177.9	0	0	0	0	0	116.1	S87	S87-A89 PolarHBondContact O-N 3.1Å; S87-A89 VanDerWaalsContact O-N 3.13Å; S87-A89 PolarHBondContact OG-N 2.03Å
90	I	75.3	Confident	69.8	Low	25 Å²	25	50.3 Å²	50.3	13%	0.128	28%	0.284	C	S	.	.			trans	-111.5	138.6	-177.1	-66.1	179.3	0	0	0	111.1	P71 V73 F86 S87 T88 I92	P71-I90 HydrophobicContact CB-CG1 4.29Å; V73-I90 HydrophobicContact CB-CG2 4.31Å; V73-I90 HydrophobicContact CG2-CG2 3.68Å; F86-I90 HydrophobicContact CB-CB 4.3Å; F86-I90 HydrophobicContact CB-CD1 3.77Å; F86-I90 HydrophobicContact CB-CG2 4.5Å; F86-I90 HydrophobicContact CD1-CD1 3.7Å; F86-I90 HydrophobicContact CG-CD1 4.11Å; S87-I90 PolarHBondContact O-N 3.4Å; T88-I90 PolarHBondContact O-N 2.98Å; I90-I92 HydrophobicContact CG2-CG1 4.46Å
91	L	77.1	Confident	70	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.3	171.6	-171.5	67.9	0	0	0	109.9	L40 L53 L68 I70 P71 A72 V73 L93	L40-L91 HydrophobicContact CD1-CD2 4.25Å; L40-L91 HydrophobicContact CD2-CD1 4.08Å; L40-L91 HydrophobicContact CD2-CD2 4.32Å; L53-L91 HydrophobicContact CD1-CD1 3.83Å; L53-L91 HydrophobicContact CD1-CD2 4.03Å; L53-L91 HydrophobicContact CD1-CG 4.19Å; L53-L91 HydrophobicContact CD2-CD1 4.17Å; L53-L91 HydrophobicContact CG-CD1 3.71Å; L53-L91 HydrophobicContact CG-CG 4.35Å; L68-L91 HydrophobicContact CD1-CD2 4.22Å; I70-L91 HydrophobicContact CG2-CB 4.5Å; P71-L91 PolarHBondContact O-N 3.13Å; A72-L91 CarbonylContact C-O 3.49Å; A72-L91 VanDerWaalsContact CA-O 3.23Å; A72-L91 WeakPolarHBondContact CA-O 3.48Å; A72-L91 HydrophobicContact CB-CB 4.18Å; A72-L91 HydrophobicContact CB-CD2 4.45Å; V73-L91 PolarHBondContact N-O 2.93Å; L91-L93 HydrophobicContact CD2-CD2 3.9Å; L91-L93 HydrophobicContact CD2-CG 4.36Å; L91-L93 HydrophobicContact CG-CD2 4.02Å; L91-L93 HydrophobicContact CG-CG 4.38Å
92	I	77.8	Confident	70.5	Confident	5 Å²	5	47 Å²	47	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124	177	-52.5	-179.9	0	0	0	108.3	T51 L52 L53 V75 W84 F86 I90 L111	T51-I92 PolarHBondContact O-N 3.45Å; T51-I92 VanDerWaalsContact O-N 3.12Å; L52-I92 CarbonylContact C-O 3.51Å; L52-I92 WeakPolarHBondContact CA-O 3.32Å; L52-I92 HydrophobicContact CD1-CB 3.57Å; L52-I92 HydrophobicContact CD1-CG2 3.38Å; L53-I92 PolarHBondContact N-O 2.83Å; V75-I92 HydrophobicContact CG2-CG2 3.62Å; W84-I92 HydrophobicContact CE3-CD1 3.76Å; W84-I92 HydrophobicContact CH2-CG2 4.19Å; W84-I92 HydrophobicContact CZ3-CD1 3.57Å; W84-I92 HydrophobicContact CZ3-CG2 4.01Å; F86-I92 HydrophobicContact CD2-CD1 4.26Å; I90-I92 HydrophobicContact CG2-CG1 4.46Å; I92-L111 HydrophobicContact CD1-CD2 4.23Å
93	L	77.2	Confident	70.7	Confident	6 Å²	6	48.8 Å²	48.8	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.6	-178.3	-61.1	175.9	0	0	0	109.3	L53 Y55 F61 L65 A72 V73 T74 V75 L91	L53-L93 HydrophobicContact CB-CD2 3.88Å; L53-L93 HydrophobicContact CD1-CD2 3.5Å; L53-L93 HydrophobicContact CG-CD2 3.96Å; Y55-L93 HydrophobicContact CE2-CD2 4.18Å; F61-L93 HydrophobicContact CB-CD1 4.31Å; F61-L93 HydrophobicContact CD1-CD2 4.28Å; L65-L93 HydrophobicContact CD2-CD1 3.61Å; L65-L93 HydrophobicContact CG-CD1 4.04Å; A72-L93 HydrophobicContact CB-CD1 4.17Å; V73-L93 PolarHBondContact O-N 2.94Å; T74-L93 WeakPolarHBondContact CA-O 3.33Å; T74-L93 HydrophobicContact CG2-CB 4.46Å; V75-L93 PolarHBondContact N-O 3.06Å; L91-L93 HydrophobicContact CD2-CD2 3.9Å; L91-L93 HydrophobicContact CD2-CG 4.36Å; L91-L93 HydrophobicContact CG-CD2 4.02Å; L91-L93 HydrophobicContact CG-CG 4.38Å
94	S	76.2	Confident	71.3	Confident	3 Å²	3	46 Å²	46	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.3	178.2	-171.8	0	0	0	0	110.8	L53 Y55 A99	L53-S94 PolarHBondContact O-N 2.96Å; Y55-S94 PolarHBondContact N-O 3.11Å; S94-A99 WeakPolarHBondContact OG-CB 3.2Å; S94-A99 PolarHBondContact OG-O 2.76Å
95	C	74	Confident	71.6	Confident	37 Å²	37	46.8 Å²	46.8	25%	0.25	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.7	177.8	-57.6	0	0	0	0	111.1	C59 A99	C59-C95 WeakPolarHBondContact CA-SG 3.46Å; C59-C95 HydrophobicContact CB-CB 4.14Å; C59-C95 WeakPolarHBondContact CB-SG 3.43Å; C59-C95 WeakPolarHBondContact SG-CB 3.34Å; C59-C95 CovalentContact SG-SG 2.03Å; C59-C95 PolarHBondContact SG-SG 3.3Å; C95-A99 WeakPolarHBondContact O-CB 3.04Å
96	G	67.3	Low	72.2	Confident	13 Å²	13	46.2 Å²	46.2	13%	0.134	25%	0.252	C	S	.	.	S	Bend	trans	88.4	147.3	179.8	0	0	0	0	0	112.8	Y55 G56 D98 A99	Y55-G96 PolarHBondContact O-N 3.45Å; G56-G96 PolarHBondContact O-N 3.02Å; G96-D98 VanDerWaalsContact C-N 3.29Å; G96-D98 PolarHBondContact O-N 3.26Å; G96-A99 WeakPolarHBondContact O-CB 3.4Å; G96-A99 PolarHBondContact O-N 3.2Å; G96-A99 VanDerWaalsContact O-N 3.13Å
97	Y	63.8	Low	72.9	Confident	40 Å²	40	42.7 Å²	42.7	16%	0.157	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-65.6	-31.7	-178.2	-66.6	-74.7	0	0	0	113.4	A99 I118 Y119 R132	Y97-A99 PolarHBondContact O-N 2.92Å; Y97-I118 HydrophobicContact CE1-CG2 3.66Å; Y97-Y119 PolarHBondContact OH-O 3.18Å; Y97-R132 VanDerWaalsContact CE1-NH2 3.3Å
98	D	63.7	Low	73.7	Confident	131 Å²	131	41.6 Å²	41.6	70%	0.701	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-78.2	-8.3	178.4	-58.5	-42.7	0	0	0	112.4	G96 E100 N101	G96-D98 VanDerWaalsContact C-N 3.29Å; G96-D98 PolarHBondContact O-N 3.26Å; D98-E100 PolarHBondContact O-N 2.85Å; D98-N101 PolarHBondContact O-ND2 2.91Å; D98-N101 VanDerWaalsContact O-ND2 3.15Å
99	A	63.3	Low	74.3	Confident	13 Å²	13	38.1 Å²	38.1	11%	0.107	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-81.5	9.8	176.8	0	0	0	0	0	113.1	G78 S94 C95 G96 Y97	G78-A99 WeakPolarHBondContact CA-O 3Å; S94-A99 WeakPolarHBondContact OG-CB 3.2Å; S94-A99 PolarHBondContact OG-O 2.76Å; C95-A99 WeakPolarHBondContact O-CB 3.04Å; G96-A99 WeakPolarHBondContact O-CB 3.4Å; G96-A99 PolarHBondContact O-N 3.2Å; G96-A99 VanDerWaalsContact O-N 3.13Å; Y97-A99 PolarHBondContact O-N 2.92Å
100	E	70.6	Confident	74.8	Confident	9 Å²	9	41 Å²	41	4%	0.042	21%	0.208	C	C	.	.			trans	-125.7	62.9	169.7	-165.2	-160.9	175.3	0	0	110.5	L52 I54 D98 R116 Y133 K136 Q138	L52-E100 HydrophobicContact CD2-CG 3.95Å; I54-E100 HydrophobicContact CD1-CB 4.14Å; I54-E100 HydrophobicContact CD1-CG 4.3Å; I54-E100 WeakPolarHBondContact CD1-OE2 3.01Å; D98-E100 PolarHBondContact O-N 2.85Å; E100-R116 IonicContact OE1-CZ 2.73Å; E100-R116 IonicContact OE1-NE 3.54Å; E100-R116 PolarHBondContact OE1-NE 3Å; E100-R116 IonicContact OE1-NH2 3.35Å; E100-R116 PolarHBondContact OE1-NH2 2.94Å; E100-R116 IonicContact OE2-NE 3.96Å; E100-Y133 WeakPolarHBondContact OE2-CE1 3.41Å; E100-Y133 PolarHBondContact OE2-OH 3.34Å; E100-K136 PolarHBondContact O-NZ 3.12Å; E100-K136 VanDerWaalsContact O-NZ 3.09Å; E100-Q138 PolarHBondContact OE1-NE2 2.83Å; E100-Q138 PolarHBondContact OE1-OE1 3.14Å
101	N	71.4	Confident	75	Confident	70 Å²	70	40.2 Å²	40.2	37%	0.374	21%	0.205	S	C	.	.			trans	-127	67.6	179	-76.8	-26.7	0	0	0	109.3	G78 S79 D98 E103 K136	G78-N101 CarbonylContact O-C 3.57Å; G78-N101 VanDerWaalsContact O-CA 3.32Å; G78-N101 WeakPolarHBondContact O-CA 3.39Å; G78-N101 PolarHBondContact O-N 2.91Å; S79-N101 WeakPolarHBondContact CA-O 2.81Å; S79-N101 WeakPolarHBondContact CB-O 3.24Å; D98-N101 PolarHBondContact O-ND2 2.91Å; D98-N101 VanDerWaalsContact O-ND2 3.15Å; N101-E103 PolarHBondContact O-N 3.28Å; N101-K136 PolarHBondContact OD1-NZ 2.56Å; N101-K136 VanDerWaalsContact OD1-NZ 3.1Å
102	E	75	Confident	75.2	Confident	20 Å²	20	40.9 Å²	40.9	9%	0.093	21%	0.207	C	C	.	.			trans	-71.2	121.3	179	-72.7	-58.5	163.5	0	0	111.9	G78 T80 W84 T107 L111	G78-E102 PolarHBondContact O-N 2.91Å; T80-E102 PolarHBondContact N-OE2 3.01Å; T80-E102 PolarHBondContact OG1-OE1 3.15Å; T80-E102 PolarHBondContact OG1-OE2 2.88Å; W84-E102 WeakPolarHBondContact CH2-OE1 3.31Å; W84-E102 WeakPolarHBondContact CZ2-OE1 3.4Å; E102-T107 HydrophobicContact CG-CG2 3.98Å; E102-L111 HydrophobicContact CG-CD1 3.79Å
103	E	74.4	Confident	75.4	Confident	167 Å²	167	47 Å²	47	78%	0.78	23%	0.23	S	C	*	.			trans	-83.7	-26.1	174.3	-62	-172.8	170.2	0	0	111.3	N101 S105	N101-E103 PolarHBondContact O-N 3.28Å; E103-S105 PolarHBondContact O-N 3.5Å
104	N	81.7	Confident	75.6	Confident	25 Å²	25	47 Å²	47	13%	0.134	23%	0.231	C	C	.	.			trans	-73.3	114.1	177.1	-176.3	-59.7	0	0	0	111.3	D83 Y106 T107 L108	D83-N104 PolarHBondContact OD1-ND2 2.87Å; D83-N104 PolarHBondContact OD1-OD1 2.94Å; N104-Y106 VanDerWaalsContact C-N 3.35Å; N104-Y106 PolarHBondContact O-N 2.93Å; N104-Y106 WeakPolarHBondContact OD1-CA 3.49Å; N104-Y106 WeakPolarHBondContact OD1-CB 3.25Å; N104-Y106 PolarHBondContact OD1-N 3.24Å; N104-T107 PolarHBondContact O-N 2.73Å; N104-T107 PolarHBondContact OD1-N 3.1Å; N104-L108 WeakPolarHBondContact O-CB 3.4Å; N104-L108 PolarHBondContact O-N 2.98Å
105	S	79.9	Confident	76.1	Confident	32 Å²	32	47.5 Å²	47.5	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-31	-178.7	60.7	0	0	0	0	115.8	E103 L109 R504 Y505	E103-S105 PolarHBondContact O-N 3.5Å; S105-L109 PolarHBondContact O-N 2.89Å; S105-R504 PolarHBondContact OG-NH2 3.04Å; S105-Y505 WeakPolarHBondContact CA-OH 3.45Å; S105-Y505 WeakPolarHBondContact CB-OH 3.43Å
106	Y	79.7	Confident	76.7	Confident	95 Å²	95	45.8 Å²	45.8	37%	0.373	22%	0.22	S	C	.	.	H	α-helix	trans	-76.6	-41.6	177.4	-70.5	-80	0	0	0	111.6	N104 L109 K110 D275	N104-Y106 VanDerWaalsContact C-N 3.35Å; N104-Y106 PolarHBondContact O-N 2.93Å; N104-Y106 WeakPolarHBondContact OD1-CA 3.49Å; N104-Y106 WeakPolarHBondContact OD1-CB 3.25Å; N104-Y106 PolarHBondContact OD1-N 3.24Å; Y106-L109 PolarHBondContact O-N 2.69Å; Y106-K110 WeakPolarHBondContact O-CG 3.2Å; Y106-K110 PolarHBondContact O-N 2.73Å; Y106-K110 VanDerWaalsContact O-N 3.13Å; Y106-D275 WeakPolarHBondContact CE1-OD1 3.4Å; Y106-D275 PolarHBondContact OH-OD1 3.48Å; Y106-D275 VanDerWaalsContact OH-OD1 3.09Å; Y106-D275 PolarHBondContact OH-OD2 3.42Å
107	T	80	Confident	77.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-45.7	172.5	-62.7	0	0	0	0	110.4	Y82 W84 E102 N104 L109 K110 L111	Y82-T107 PolarHBondContact O-OG1 3.27Å; W84-T107 HydrophobicContact CB-CG2 3.77Å; W84-T107 HydrophobicContact CD2-CG2 3.53Å; W84-T107 HydrophobicContact CE3-CG2 3.88Å; W84-T107 HydrophobicContact CG-CG2 3.47Å; W84-T107 VanDerWaalsContact CG-CG2 3.47Å; W84-T107 PolarHBondContact N-OG1 3.06Å; E102-T107 HydrophobicContact CG-CG2 3.98Å; N104-T107 PolarHBondContact O-N 2.73Å; N104-T107 PolarHBondContact OD1-N 3.1Å; T107-L109 VanDerWaalsContact C-N 3.29Å; T107-L109 PolarHBondContact O-N 2.85Å; T107-K110 WeakPolarHBondContact O-CB 3.49Å; T107-K110 PolarHBondContact O-N 3.35Å; T107-K110 VanDerWaalsContact O-N 3.09Å; T107-L111 HydrophobicContact CG2-CD1 3.84Å; T107-L111 HydrophobicContact CG2-CG 4.18Å; T107-L111 WeakPolarHBondContact O-CG 3.41Å; T107-L111 PolarHBondContact O-N 2.82Å
108	L	81.1	Confident	78.5	Confident	48 Å²	48	43.4 Å²	43.4	25%	0.251	21%	0.207	S	C	.	.	H	α-helix	trans	-57	-42.9	177.2	-176.2	63.7	0	0	0	112	N104 K110 L111 Q112 Y505	N104-L108 WeakPolarHBondContact O-CB 3.4Å; N104-L108 PolarHBondContact O-N 2.98Å; L108-K110 PolarHBondContact O-N 3.25Å; L108-L111 PolarHBondContact O-N 2.78Å; L108-Q112 PolarHBondContact O-N 2.65Å; L108-Y505 HydrophobicContact CB-CE1 4.22Å; L108-Y505 HydrophobicContact CD2-CD1 4.44Å; L108-Y505 HydrophobicContact CD2-CE1 3.8Å; L108-Y505 HydrophobicContact CD2-CE2 4.46Å; L108-Y505 HydrophobicContact CG-CE1 4.01Å
109	L	80.9	Confident	79.3	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-42.8	176	-177.8	63.9	0	0	0	112.3	S105 Y106 T107 L111 Q112 W278 R504 Y505	S105-L109 PolarHBondContact O-N 2.89Å; Y106-L109 PolarHBondContact O-N 2.69Å; T107-L109 VanDerWaalsContact C-N 3.29Å; T107-L109 PolarHBondContact O-N 2.85Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-Q112 WeakPolarHBondContact O-CB 3.29Å; L109-Q112 PolarHBondContact O-N 3.2Å; L109-W278 HydrophobicContact CD2-CH2 3.66Å; L109-W278 HydrophobicContact CD2-CZ2 3.74Å; L109-W278 HydrophobicContact CD2-CZ3 4.13Å; L109-R504 VanDerWaalsContact CD1-O 3.26Å; L109-R504 WeakPolarHBondContact CD1-O 3.32Å; L109-Y505 HydrophobicContact CB-CD1 4.5Å; L109-Y505 HydrophobicContact CB-CE1 4.32Å; L109-Y505 HydrophobicContact CD1-CD1 4.25Å
110	K	79.6	Confident	80	Confident	100 Å²	100	39.1 Å²	39.1	44%	0.435	18%	0.179	S	C	.	.	H	α-helix	trans	-63.8	-41	175.9	-69.2	168.4	-179.6	168.6	0	111.6	W84 Y106 T107 L108 Q112	W84-K110 WeakPolarHBondContact O-CD 3.42Å; W84-K110 PolarHBondContact O-NZ 3.03Å; Y106-K110 WeakPolarHBondContact O-CG 3.2Å; Y106-K110 PolarHBondContact O-N 2.73Å; Y106-K110 VanDerWaalsContact O-N 3.13Å; T107-K110 WeakPolarHBondContact O-CB 3.49Å; T107-K110 PolarHBondContact O-N 3.35Å; T107-K110 VanDerWaalsContact O-N 3.09Å; L108-K110 PolarHBondContact O-N 3.25Å; K110-Q112 VanDerWaalsContact C-N 3.3Å; K110-Q112 PolarHBondContact O-N 2.99Å
111	L	79.8	Confident	80.1	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-75.2	-15	179.9	-66.6	-179.8	0	0	0	113.5	W84 I92 E102 T107 L108 L109 R113 T114 R116	W84-L111 HydrophobicContact CE3-CD1 3.94Å; W84-L111 HydrophobicContact CE3-CD2 3.9Å; W84-L111 HydrophobicContact CE3-CG 4.24Å; W84-L111 HydrophobicContact CH2-CD1 4.24Å; W84-L111 HydrophobicContact CZ3-CD1 3.61Å; W84-L111 HydrophobicContact CZ3-CD2 3.81Å; W84-L111 HydrophobicContact CZ3-CG 4.24Å; I92-L111 HydrophobicContact CD1-CD2 4.23Å; E102-L111 HydrophobicContact CG-CD1 3.79Å; T107-L111 HydrophobicContact CG2-CD1 3.84Å; T107-L111 HydrophobicContact CG2-CG 4.18Å; T107-L111 WeakPolarHBondContact O-CG 3.41Å; T107-L111 PolarHBondContact O-N 2.82Å; L108-L111 PolarHBondContact O-N 2.78Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L111-R113 PolarHBondContact O-N 3.44Å; L111-T114 HydrophobicContact CD2-CG2 3.93Å; L111-T114 PolarHBondContact O-N 2.84Å; L111-T114 VanDerWaalsContact O-N 3.15Å; L111-T114 PolarHBondContact O-OG1 2.78Å; L111-R116 PolarHBondContact O-NH1 2.74Å; L111-R116 PolarHBondContact O-NH2 3.42Å
112	Q	82.4	Confident	79.9	Confident	16 Å²	16	44.4 Å²	44.4	8%	0.075	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-38	-178	-167.3	175.4	18.6	0	0	112.6	L108 L109 K110 E137 Y505	L108-Q112 PolarHBondContact O-N 2.65Å; L109-Q112 WeakPolarHBondContact O-CB 3.29Å; L109-Q112 PolarHBondContact O-N 3.2Å; K110-Q112 VanDerWaalsContact C-N 3.3Å; K110-Q112 PolarHBondContact O-N 2.99Å; Q112-E137 WeakPolarHBondContact CG-O 3.22Å; Q112-E137 PolarHBondContact NE2-O 2.76Å; Q112-Y505 PolarHBondContact NE2-O 3.01Å
113	R	80.8	Confident	79.6	Confident	135 Å²	135	51.2 Å²	51.2	51%	0.509	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.6	-178.9	-68.6	-176.7	64.6	-154.2	-3.4	114.4	L111 N140 H510	L111-R113 PolarHBondContact O-N 3.44Å; R113-N140 PolarHBondContact O-ND2 3.44Å; R113-H510 VanDerWaalsContact CZ-CD2 3.41Å; R113-H510 PolarHBondContact NE-ND1 2.99Å; R113-H510 PolarHBondContact NH2-CD2 3Å
114	T	82.7	Confident	79.7	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.037	22%	0.217	C	C	.	.	S	Bend	trans	-64.6	144.1	-174.6	57.1	0	0	0	0	111.5	L111 R116	L111-T114 HydrophobicContact CD2-CG2 3.93Å; L111-T114 PolarHBondContact O-N 2.84Å; L111-T114 VanDerWaalsContact O-N 3.15Å; L111-T114 PolarHBondContact O-OG1 2.78Å; T114-R116 PolarHBondContact O-NH1 3.32Å; T114-R116 PolarHBondContact OG1-NH1 3.4Å; T114-R116 VanDerWaalsContact OG1-NH1 3.16Å
115	R	86.1	Confident	79.8	Confident	13 Å²	13	50.2 Å²	50.2	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.6	176.8	-73.9	177.9	-91.7	151.6	2.9	109	L43 E47 N50 T51 L52 N140 Y177	L43-R115 PolarHBondContact O-NH1 2.95Å; E47-R115 VanDerWaalsContact CB-NH2 3.26Å; E47-R115 VanDerWaalsContact CD-NH2 3.35Å; E47-R115 PolarHBondContact O-NH1 3.47Å; E47-R115 PolarHBondContact O-NH2 3.09Å; E47-R115 IonicContact OE2-CZ 3.24Å; E47-R115 IonicContact OE2-NE 2.97Å; E47-R115 PolarHBondContact OE2-NE 3.06Å; E47-R115 IonicContact OE2-NH1 2.88Å; E47-R115 IonicContact OE2-NH2 3.28Å; E47-R115 PolarHBondContact OE2-NH2 2.77Å; N50-R115 PolarHBondContact O-N 3.47Å; N50-R115 VanDerWaalsContact O-N 3.13Å; T51-R115 CarbonylContact C-O 3.59Å; T51-R115 VanDerWaalsContact CA-O 3.3Å; T51-R115 WeakPolarHBondContact CA-O 3.18Å; T51-R115 HydrophobicContact CG2-CB 4.07Å; T51-R115 WeakPolarHBondContact CG2-O 3.34Å; L52-R115 PolarHBondContact N-O 3Å; R115-N140 HydrophobicContact CG-CB 4.44Å; R115-Y177 HydrophobicContact CB-CD1 4.14Å; R115-Y177 HydrophobicContact CB-CD2 4.24Å; R115-Y177 HydrophobicContact CB-CE1 3.83Å; R115-Y177 HydrophobicContact CB-CE2 3.93Å; R115-Y177 HydrophobicContact CB-CG 4.33Å; R115-Y177 VanDerWaalsContact CD-CD2 3.49Å; R115-Y177 HydrophobicContact CG-CD1 3.89Å; R115-Y177 HydrophobicContact CG-CD2 3.91Å; R115-Y177 HydrophobicContact CG-CE1 4.12Å; R115-Y177 HydrophobicContact CG-CE2 4.12Å; R115-Y177 HydrophobicContact CG-CG 3.77Å
116	R	85.7	Confident	80.2	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.3	-178.4	-72.4	166.6	-179.2	67.9	5.9	111.2	L52 I54 E100 L111 T114 Q138 N140 I141 A142 Y177	L52-R116 HydrophobicContact CB-CG 4.31Å; L52-R116 HydrophobicContact CD2-CG 4.25Å; L52-R116 VanDerWaalsContact O-CA 3.23Å; L52-R116 WeakPolarHBondContact O-CA 3.24Å; I54-R116 HydrophobicContact CD1-CG 4.44Å; E100-R116 IonicContact OE1-CZ 2.73Å; E100-R116 IonicContact OE1-NE 3.54Å; E100-R116 PolarHBondContact OE1-NE 3Å; E100-R116 IonicContact OE1-NH2 3.35Å; E100-R116 PolarHBondContact OE1-NH2 2.94Å; E100-R116 IonicContact OE2-NE 3.96Å; L111-R116 PolarHBondContact O-NH1 2.74Å; L111-R116 PolarHBondContact O-NH2 3.42Å; T114-R116 PolarHBondContact O-NH1 3.32Å; T114-R116 PolarHBondContact OG1-NH1 3.4Å; T114-R116 VanDerWaalsContact OG1-NH1 3.16Å; R116-Q138 VanDerWaalsContact NH2-CD 3.28Å; R116-N140 PolarHBondContact N-O 2.97Å; R116-I141 HydrophobicContact CB-CG1 4.05Å; R116-I141 WeakPolarHBondContact O-CA 3.14Å; R116-A142 PolarHBondContact O-N 3.18Å; R116-Y177 PolarHBondContact O-OH 3.48Å
117	L	84.4	Confident	80.6	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.8	168.8	-172.3	65.9	0	0	0	109	V39 L43 L52 L53 I54 A142 V144 F170 Y177	V39-L117 HydrophobicContact CG1-CD2 3.88Å; L43-L117 HydrophobicContact CD1-CD2 4.43Å; L52-L117 PolarHBondContact O-N 3.35Å; L53-L117 HydrophobicContact CD2-CB 3.54Å; L53-L117 HydrophobicContact CD2-CD2 4.05Å; L53-L117 HydrophobicContact CD2-CG 4.42Å; I54-L117 PolarHBondContact N-O 3.26Å; L117-A142 CarbonylContact C-O 3.21Å; L117-A142 WeakPolarHBondContact CA-O 3.37Å; L117-A142 HydrophobicContact CD1-CB 3.83Å; L117-V144 HydrophobicContact CD1-CG2 3.75Å; L117-V144 HydrophobicContact CG-CG2 4.46Å; L117-F170 HydrophobicContact CD1-CZ 4.19Å; L117-Y177 PolarHBondContact N-OH 3.27Å
118	I	84.4	Confident	81	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.5	-173	-55.1	-178.7	0	0	0	110.4	I54 Y97 L120 V129 Y133 I141 A142 M143 V144	I54-I118 HydrophobicContact CB-CG1 4.42Å; I54-I118 VanDerWaalsContact O-CA 3.25Å; I54-I118 WeakPolarHBondContact O-CA 3.39Å; Y97-I118 HydrophobicContact CE1-CG2 3.66Å; I118-L120 HydrophobicContact CG2-CD2 3.98Å; I118-V129 HydrophobicContact CD1-CG1 3.98Å; I118-Y133 HydrophobicContact CD1-CD2 4.01Å; I118-Y133 HydrophobicContact CD1-CE2 3.25Å; I118-I141 HydrophobicContact CD1-CG2 3.7Å; I118-I141 HydrophobicContact CG1-CG2 4.3Å; I118-A142 PolarHBondContact N-O 2.91Å; I118-M143 HydrophobicContact CB-CG 4.05Å; I118-M143 CarbonylContact O-C 3.28Å; I118-M143 VanDerWaalsContact O-CA 3.24Å; I118-M143 WeakPolarHBondContact O-CA 3.41Å; I118-V144 PolarHBondContact O-N 3.38Å
119	Y	80.5	Confident	81.3	Confident	53 Å²	53	50 Å²	50	21%	0.208	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.2	170.7	-175.7	-101.6	0	0	0	111.2	L32 I54 Y55 Y97 V144 S146	L32-Y119 HydrophobicContact CD1-CE2 4.3Å; I54-Y119 PolarHBondContact O-N 3.02Å; I54-Y119 VanDerWaalsContact O-N 3.11Å; Y55-Y119 HydrophobicContact CD1-CG 4.46Å; Y97-Y119 PolarHBondContact OH-O 3.18Å; Y119-V144 CarbonylContact C-O 3.4Å; Y119-V144 WeakPolarHBondContact CA-O 3.19Å; Y119-S146 VanDerWaalsContact OH-CA 3.3Å; Y119-S146 WeakPolarHBondContact OH-CA 3.49Å; Y119-S146 WeakPolarHBondContact OH-CB 2.87Å
120	L	78.2	Confident	81.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.			trans	-91	135.6	-177.8	-60.9	-177.7	0	0	0	111.5	I118 P126 V129 M143 V144 K145	I118-L120 HydrophobicContact CG2-CD2 3.98Å; L120-P126 HydrophobicContact CD1-CG 4.28Å; L120-V129 HydrophobicContact CD2-CG2 3.76Å; L120-M143 HydrophobicContact CD1-CB 3.74Å; L120-M143 HydrophobicContact CD1-CG 4.1Å; L120-M143 HydrophobicContact CD1-SD 3.93Å; L120-M143 HydrophobicContact CD2-CG 4.25Å; L120-M143 HydrophobicContact CD2-SD 4.32Å; L120-M143 HydrophobicContact CG-CB 3.98Å; L120-M143 HydrophobicContact CG-CG 4.23Å; L120-V144 PolarHBondContact N-O 3.41Å; L120-K145 HydrophobicContact CB-CG 4.38Å
121	E	73.2	Confident	82.1	Confident	80 Å²	80	50.2 Å²	50.2	37%	0.374	25%	0.25	S	C	.	.			trans	-74.1	149.6	164.3	-68	174.3	-165.6	0	0	109.6	N123 S124	E121-N123 PolarHBondContact O-N 2.71Å; E121-S124 WeakPolarHBondContact O-CB 3.37Å; E121-S124 PolarHBondContact O-N 2.81Å
122	D	66.6	Low	82.5	Confident	111 Å²	111	54.7 Å²	54.7	59%	0.594	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-25	-170.9	-75.9	-54.7	0	0	0	116.1	S146	D122-S146 PolarHBondContact OD1-OG 3.21Å; D122-S146 PolarHBondContact OD2-OG 3.4Å
123	N	68.9	Low	82.8	Confident	163 Å²	163	54 Å²	54	87%	0.872	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-1.2	-179.2	-70.9	-22	0	0	0	114.5	E121	E121-N123 PolarHBondContact O-N 2.71Å
124	S	76.3	Confident	83.1	Confident	38 Å²	38	49.3 Å²	49.3	27%	0.266	25%	0.25	S	S	.	.			trans	-95.4	123	-175.5	-58.7	0	0	0	0	112.2	E121	E121-S124 WeakPolarHBondContact O-CB 3.37Å; E121-S124 PolarHBondContact O-N 2.81Å
125	E	85.1	Confident	83.4	Confident	132 Å²	132	56 Å²	56	62%	0.617	29%	0.285	S	S	*	.			trans	-78.8	129.7	176	-67.9	-175.9	171.6	0	0	111.6	E127 S128 V129	E125-E127 PolarHBondContact O-N 2.69Å; E125-S128 PolarHBondContact O-N 3.45Å; E125-S128 VanDerWaalsContact O-N 3.13Å; E125-S128 PolarHBondContact O-OG 3.32Å; E125-V129 PolarHBondContact O-N 3.45Å
126	P	86.8	Confident	83.4	Confident	12 Å²	12	59 Å²	59	8%	0.078	30%	0.299	C	S	.	.	H	α-helix	trans	-55.8	-35.1	179.1	-27	34.7	0	0	0	114.1	L120 S128 V129 C130 M143 Y155 Y165	L120-P126 HydrophobicContact CD1-CG 4.28Å; P126-S128 PolarHBondContact O-N 2.9Å; P126-V129 PolarHBondContact O-N 2.99Å; P126-C130 PolarHBondContact O-N 3.23Å; P126-C130 PolarHBondContact O-SG 3.38Å; P126-M143 HydrophobicContact CB-CE 4.06Å; P126-M143 HydrophobicContact CB-SD 4.15Å; P126-Y155 HydrophobicContact CB-CD1 4.46Å; P126-Y155 HydrophobicContact CB-CG 4.2Å; P126-Y155 HydrophobicContact CG-CD1 4.04Å; P126-Y155 HydrophobicContact CG-CD2 4.1Å; P126-Y155 HydrophobicContact CG-CE1 4.41Å; P126-Y155 HydrophobicContact CG-CE2 4.45Å; P126-Y155 HydrophobicContact CG-CG 3.87Å; P126-Y165 HydrophobicContact CB-CD1 4.38Å; P126-Y165 HydrophobicContact CB-CD2 4.35Å; P126-Y165 HydrophobicContact CB-CG 4.26Å
127	E	88.3	Confident	83.5	Confident	98 Å²	98	61.6 Å²	61.6	46%	0.458	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-40.8	179	177.5	163.6	-156.7	0	0	112.3	E125 V129 C130 M131 Y165	E125-E127 PolarHBondContact O-N 2.69Å; E127-V129 VanDerWaalsContact C-N 3.28Å; E127-V129 PolarHBondContact O-N 3.34Å; E127-C130 PolarHBondContact O-N 2.85Å; E127-M131 WeakPolarHBondContact O-CB 3.23Å; E127-M131 PolarHBondContact O-N 2.9Å; E127-Y165 HydrophobicContact CB-CD1 4.27Å; E127-Y165 HydrophobicContact CB-CE1 4.23Å
128	S	88.4	Confident	83.6	Confident	57 Å²	57	61.8 Å²	61.8	40%	0.399	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-35.9	177.8	75	0	0	0	0	112	E125 P126 R132	E125-S128 PolarHBondContact O-N 3.45Å; E125-S128 VanDerWaalsContact O-N 3.13Å; E125-S128 PolarHBondContact O-OG 3.32Å; P126-S128 PolarHBondContact O-N 2.9Å; S128-R132 WeakPolarHBondContact O-CB 3.17Å; S128-R132 PolarHBondContact O-N 2.97Å
129	V	87.2	Confident	83.8	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.024	32%	0.315	C	S	.	.	H	α-helix	trans	-71.8	-47.5	178.5	179.7	0	0	0	0	110	I118 L120 E125 P126 E127 M131 R132 Y133 M143	I118-V129 HydrophobicContact CD1-CG1 3.98Å; L120-V129 HydrophobicContact CD2-CG2 3.76Å; E125-V129 PolarHBondContact O-N 3.45Å; P126-V129 PolarHBondContact O-N 2.99Å; E127-V129 VanDerWaalsContact C-N 3.28Å; E127-V129 PolarHBondContact O-N 3.34Å; V129-M131 VanDerWaalsContact C-N 3.27Å; V129-M131 PolarHBondContact O-N 3.13Å; V129-R132 PolarHBondContact O-N 2.75Å; V129-Y133 HydrophobicContact CG1-CD2 3.78Å; V129-Y133 HydrophobicContact CG1-CE2 3.95Å; V129-Y133 WeakPolarHBondContact O-CD2 3.24Å; V129-Y133 PolarHBondContact O-N 3.23Å; V129-M143 HydrophobicContact CB-SD 3.53Å; V129-M143 VanDerWaalsContact CB-SD 3.53Å; V129-M143 HydrophobicContact CG1-CG 4.23Å; V129-M143 HydrophobicContact CG1-SD 3.5Å; V129-M143 WeakPolarHBondContact CG1-SD 3.12Å; V129-M143 HydrophobicContact CG2-SD 4.16Å
130	C	89.9	Confident	84.2	Confident	7 Å²	7	61.2 Å²	61.2	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-42	174.4	-67.3	0	0	0	0	111.9	P126 E127 S134 M143 C157	P126-C130 PolarHBondContact O-N 3.23Å; P126-C130 PolarHBondContact O-SG 3.38Å; E127-C130 PolarHBondContact O-N 2.85Å; C130-S134 VanDerWaalsContact O-CB 3.28Å; C130-S134 WeakPolarHBondContact O-CB 3.32Å; C130-S134 PolarHBondContact O-N 3.05Å; C130-M143 WeakPolarHBondContact SG-CE 3.2Å; C130-C157 WeakPolarHBondContact CA-SG 3.33Å; C130-C157 HydrophobicContact CB-CB 3.9Å; C130-C157 WeakPolarHBondContact CB-SG 3.42Å; C130-C157 WeakPolarHBondContact SG-CA 2.98Å; C130-C157 WeakPolarHBondContact SG-CB 3.48Å; C130-C157 CovalentContact SG-SG 2.04Å; C130-C157 PolarHBondContact SG-SG 3.41Å
131	M	88.8	Confident	84.8	Confident	117 Å²	117	61.3 Å²	61.3	58%	0.576	31%	0.312	S	S	*	.	H	α-helix	trans	-66.2	-46.1	178.2	-174.5	157.4	59.5	0	0	112.2	E127 V129 Y133 S134 L135	E127-M131 WeakPolarHBondContact O-CB 3.23Å; E127-M131 PolarHBondContact O-N 2.9Å; V129-M131 VanDerWaalsContact C-N 3.27Å; V129-M131 PolarHBondContact O-N 3.13Å; M131-Y133 VanDerWaalsContact C-N 3.3Å; M131-Y133 PolarHBondContact O-N 3.42Å; M131-S134 WeakPolarHBondContact O-CB 3.48Å; M131-S134 PolarHBondContact O-N 3.33Å; M131-L135 WeakPolarHBondContact O-CG 3.25Å; M131-L135 PolarHBondContact O-N 2.87Å; M131-L135 VanDerWaalsContact O-N 3.1Å
132	R	88.6	Confident	85.6	Confident	103 Å²	103	57.5 Å²	57.5	39%	0.389	29%	0.294	S	S	.	.	H	α-helix	trans	-57.9	-43.5	178.4	-178.1	176	65.6	179.3	-2.7	112.2	Y97 S128 V129 L135 K136	Y97-R132 VanDerWaalsContact CE1-NH2 3.3Å; S128-R132 WeakPolarHBondContact O-CB 3.17Å; S128-R132 PolarHBondContact O-N 2.97Å; V129-R132 PolarHBondContact O-N 2.75Å; R132-L135 WeakPolarHBondContact O-CB 2.91Å; R132-L135 PolarHBondContact O-N 3.37Å; R132-K136 PolarHBondContact O-N 3.13Å
133	Y	87.3	Confident	86.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-78	-29.8	179.8	-86.4	-80	0	0	0	113.8	I54 E100 I118 V129 M131 L135 K136 E137 Q138 I141	I54-Y133 WeakPolarHBondContact CD1-OH 3.19Å; E100-Y133 WeakPolarHBondContact OE2-CE1 3.41Å; E100-Y133 PolarHBondContact OE2-OH 3.34Å; I118-Y133 HydrophobicContact CD1-CD2 4.01Å; I118-Y133 HydrophobicContact CD1-CE2 3.25Å; V129-Y133 HydrophobicContact CG1-CD2 3.78Å; V129-Y133 HydrophobicContact CG1-CE2 3.95Å; V129-Y133 WeakPolarHBondContact O-CD2 3.24Å; V129-Y133 PolarHBondContact O-N 3.23Å; M131-Y133 VanDerWaalsContact C-N 3.3Å; M131-Y133 PolarHBondContact O-N 3.42Å; Y133-L135 PolarHBondContact O-N 2.85Å; Y133-K136 CarbonylContact O-C 3.21Å; Y133-K136 WeakPolarHBondContact O-CA 3.36Å; Y133-K136 WeakPolarHBondContact O-CB 3.46Å; Y133-K136 PolarHBondContact O-N 3.17Å; Y133-E137 PolarHBondContact O-N 2.94Å; Y133-E137 VanDerWaalsContact O-N 3.14Å; Y133-Q138 CarbonylContact C-O 3.05Å; Y133-Q138 HydrophobicContact CD1-CB 4.07Å; Y133-Q138 PolarHBondContact O-N 3.25Å; Y133-Q138 VanDerWaalsContact O-N 3.1Å; Y133-I141 HydrophobicContact CD1-CD1 3.68Å; Y133-I141 HydrophobicContact CD1-CG1 4.49Å; Y133-I141 HydrophobicContact CD2-CD1 3.8Å; Y133-I141 HydrophobicContact CG-CD1 3.23Å; Y133-I141 HydrophobicContact CG-CG1 4.32Å
134	S	88.4	Confident	87.3	Confident	35 Å²	35	44.7 Å²	44.7	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-35.1	169.5	-171.6	0	0	0	0	111.5	C130 M131 K136 E137 L159	C130-S134 VanDerWaalsContact O-CB 3.28Å; C130-S134 WeakPolarHBondContact O-CB 3.32Å; C130-S134 PolarHBondContact O-N 3.05Å; M131-S134 WeakPolarHBondContact O-CB 3.48Å; M131-S134 PolarHBondContact O-N 3.33Å; S134-K136 VanDerWaalsContact C-N 3.26Å; S134-K136 PolarHBondContact O-N 3.23Å; S134-E137 PolarHBondContact O-N 2.71Å; S134-E137 VanDerWaalsContact O-N 3.08Å; S134-L159 VanDerWaalsContact OG-CD1 3.22Å; S134-L159 WeakPolarHBondContact OG-CD1 2.89Å
135	L	87.9	Confident	87.6	Confident	146 Å²	146	45.3 Å²	45.3	76%	0.764	22%	0.224	S	C	*	.	H	α-helix	trans	-67.3	-27	173	-66.2	171	0	0	0	112.8	M131 R132 Y133 E137	M131-L135 WeakPolarHBondContact O-CG 3.25Å; M131-L135 PolarHBondContact O-N 2.87Å; M131-L135 VanDerWaalsContact O-N 3.1Å; R132-L135 WeakPolarHBondContact O-CB 2.91Å; R132-L135 PolarHBondContact O-N 3.37Å; Y133-L135 PolarHBondContact O-N 2.85Å; L135-E137 VanDerWaalsContact C-N 3.27Å
136	K	86	Confident	87.1	Confident	78 Å²	78	40.7 Å²	40.7	34%	0.339	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.3	171.5	-67.2	-172.3	170	-168	0	112.9	E100 N101 R132 Y133 S134 Q138	E100-K136 PolarHBondContact O-NZ 3.12Å; E100-K136 VanDerWaalsContact O-NZ 3.09Å; N101-K136 PolarHBondContact OD1-NZ 2.56Å; N101-K136 VanDerWaalsContact OD1-NZ 3.1Å; R132-K136 PolarHBondContact O-N 3.13Å; Y133-K136 CarbonylContact O-C 3.21Å; Y133-K136 WeakPolarHBondContact O-CA 3.36Å; Y133-K136 WeakPolarHBondContact O-CB 3.46Å; Y133-K136 PolarHBondContact O-N 3.17Å; S134-K136 VanDerWaalsContact C-N 3.26Å; S134-K136 PolarHBondContact O-N 3.23Å; K136-Q138 HydrophobicContact CB-CG 4.3Å; K136-Q138 PolarHBondContact O-N 2.76Å
137	E	88	Confident	86.4	Confident	54 Å²	54	43.3 Å²	43.3	25%	0.252	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	29.9	-178.5	-58.7	-80.2	-168.1	0	0	113.2	Q112 Y133 S134 L135 H139 R503 P507	Q112-E137 WeakPolarHBondContact CG-O 3.22Å; Q112-E137 PolarHBondContact NE2-O 2.76Å; Y133-E137 PolarHBondContact O-N 2.94Å; Y133-E137 VanDerWaalsContact O-N 3.14Å; S134-E137 PolarHBondContact O-N 2.71Å; S134-E137 VanDerWaalsContact O-N 3.08Å; L135-E137 VanDerWaalsContact C-N 3.27Å; E137-H139 IonicContact OE2-NE2 3.75Å; E137-R503 IonicContact OE1-CZ 3.38Å; E137-R503 IonicContact OE1-NH1 3.5Å; E137-R503 PolarHBondContact OE1-NH1 2.93Å; E137-R503 IonicContact OE1-NH2 2.69Å; E137-R503 PolarHBondContact OE1-NH2 3.33Å; E137-R503 IonicContact OE2-NH2 3.28Å; E137-P507 HydrophobicContact CB-CG 4.21Å; E137-P507 WeakPolarHBondContact OE2-CG 3.23Å
138	Q	87.3	Confident	85.8	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.028	20%	0.198	C	C	.	.			trans	-114.8	111.5	-180	-70.3	167.7	-15.5	0	0	108.3	E100 R116 Y133 K136 I141	E100-Q138 PolarHBondContact OE1-NE2 2.83Å; E100-Q138 PolarHBondContact OE1-OE1 3.14Å; R116-Q138 VanDerWaalsContact NH2-CD 3.28Å; Y133-Q138 CarbonylContact C-O 3.05Å; Y133-Q138 HydrophobicContact CD1-CB 4.07Å; Y133-Q138 PolarHBondContact O-N 3.25Å; Y133-Q138 VanDerWaalsContact O-N 3.1Å; K136-Q138 HydrophobicContact CB-CG 4.3Å; K136-Q138 PolarHBondContact O-N 2.76Å; Q138-I141 VanDerWaalsContact O-CD1 3.23Å; Q138-I141 WeakPolarHBondContact O-CD1 3.34Å
139	H	88.3	Confident	84.9	Confident	17 Å²	17	38.1 Å²	38.1	8%	0.079	19%	0.19	C	C	.	.			trans	-116.3	-11.1	-166.2	-53.5	-73.3	0	0	0	115	E137 I141 N180 F181 P507	E137-H139 IonicContact OE2-NE2 3.75Å; H139-I141 PolarHBondContact O-N 3.29Å; H139-I141 VanDerWaalsContact O-N 3.14Å; H139-N180 PolarHBondContact O-ND2 2.95Å; H139-F181 HydrophobicContact CB-CE2 4.31Å; H139-F181 AromaticContact CD2-CE2 3.44Å; H139-F181 VanDerWaalsContact CD2-CE2 3.44Å; H139-F181 WeakPolarHBondContact CD2-CE2 3.44Å; H139-F181 AromaticContact CD2-CZ 3.59Å; H139-F181 AromaticContact CG-CE2 3.9Å; H139-F181 AromaticContact NE2-CE2 3.99Å; H139-F181 AromaticContact NE2-CZ 3.63Å; H139-P507 WeakPolarHBondContact NE2-CG 3.33Å
140	N	89.4	Confident	84.2	Confident	25 Å²	25	46.2 Å²	46.2	13%	0.134	23%	0.228	C	C	.	.			trans	-89.1	75.9	-178.8	-69.6	-22.8	0	0	0	110.3	R113 R115 R116 Y177	R113-N140 PolarHBondContact O-ND2 3.44Å; R115-N140 HydrophobicContact CG-CB 4.44Å; R116-N140 PolarHBondContact N-O 2.97Å; N140-Y177 HydrophobicContact CB-CD1 4.21Å; N140-Y177 WeakPolarHBondContact O-CE1 3.42Å
141	I	89.6	Confident	83.6	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.7	-171.8	-62.4	156.8	0	0	0	111.1	R116 I118 Y133 Q138 H139 M143 S156 C157	R116-I141 HydrophobicContact CB-CG1 4.05Å; R116-I141 WeakPolarHBondContact O-CA 3.14Å; I118-I141 HydrophobicContact CD1-CG2 3.7Å; I118-I141 HydrophobicContact CG1-CG2 4.3Å; Y133-I141 HydrophobicContact CD1-CD1 3.68Å; Y133-I141 HydrophobicContact CD1-CG1 4.49Å; Y133-I141 HydrophobicContact CD2-CD1 3.8Å; Y133-I141 HydrophobicContact CG-CD1 3.23Å; Y133-I141 HydrophobicContact CG-CG1 4.32Å; Q138-I141 VanDerWaalsContact O-CD1 3.23Å; Q138-I141 WeakPolarHBondContact O-CD1 3.34Å; H139-I141 PolarHBondContact O-N 3.29Å; H139-I141 VanDerWaalsContact O-N 3.14Å; I141-M143 HydrophobicContact CG2-CE 4.39Å; I141-M143 HydrophobicContact CG2-CG 4.12Å; I141-S156 WeakPolarHBondContact O-CA 3.44Å; I141-C157 HydrophobicContact CB-CB 4.28Å; I141-C157 PolarHBondContact O-N 2.99Å
142	A	89.5	Confident	83.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148	167.3	0	0	0	0	0	109	R116 L117 I118 Y155 I176 Y177	R116-A142 PolarHBondContact O-N 3.18Å; L117-A142 CarbonylContact C-O 3.21Å; L117-A142 WeakPolarHBondContact CA-O 3.37Å; L117-A142 HydrophobicContact CD1-CB 3.83Å; I118-A142 PolarHBondContact N-O 2.91Å; A142-Y155 CarbonylContact C-O 3.14Å; A142-Y155 WeakPolarHBondContact CA-O 3.23Å; A142-I176 HydrophobicContact CB-CG2 3.54Å; A142-Y177 HydrophobicContact CB-CE1 3.84Å; A142-Y177 HydrophobicContact CB-CE2 4.47Å
143	M	87.6	Confident	83.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.4	-174.7	-68.3	163.7	-80.8	0	0	110.1	I118 L120 P126 V129 C130 I141 F154 Y155 C157	I118-M143 HydrophobicContact CB-CG 4.05Å; I118-M143 CarbonylContact O-C 3.28Å; I118-M143 VanDerWaalsContact O-CA 3.24Å; I118-M143 WeakPolarHBondContact O-CA 3.41Å; L120-M143 HydrophobicContact CD1-CB 3.74Å; L120-M143 HydrophobicContact CD1-CG 4.1Å; L120-M143 HydrophobicContact CD1-SD 3.93Å; L120-M143 HydrophobicContact CD2-CG 4.25Å; L120-M143 HydrophobicContact CD2-SD 4.32Å; L120-M143 HydrophobicContact CG-CB 3.98Å; L120-M143 HydrophobicContact CG-CG 4.23Å; P126-M143 HydrophobicContact CB-CE 4.06Å; P126-M143 HydrophobicContact CB-SD 4.15Å; V129-M143 HydrophobicContact CB-SD 3.53Å; V129-M143 VanDerWaalsContact CB-SD 3.53Å; V129-M143 HydrophobicContact CG1-CG 4.23Å; V129-M143 HydrophobicContact CG1-SD 3.5Å; V129-M143 WeakPolarHBondContact CG1-SD 3.12Å; V129-M143 HydrophobicContact CG2-SD 4.16Å; C130-M143 WeakPolarHBondContact SG-CE 3.2Å; I141-M143 HydrophobicContact CG2-CE 4.39Å; I141-M143 HydrophobicContact CG2-CG 4.12Å; M143-F154 CarbonylContact O-C 3.02Å; M143-F154 WeakPolarHBondContact O-CA 3.5Å; M143-Y155 PolarHBondContact N-O 2.72Å; M143-Y155 PolarHBondContact O-N 3.47Å; M143-C157 VanDerWaalsContact CE-SG 3.51Å
144	V	85.1	Confident	83.2	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.03	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	132.8	-177.7	178	0	0	0	0	108	L117 I118 Y119 L120 F148 F170	L117-V144 HydrophobicContact CD1-CG2 3.75Å; L117-V144 HydrophobicContact CG-CG2 4.46Å; I118-V144 PolarHBondContact O-N 3.38Å; Y119-V144 CarbonylContact C-O 3.4Å; Y119-V144 WeakPolarHBondContact CA-O 3.19Å; L120-V144 PolarHBondContact N-O 3.41Å; V144-F148 HydrophobicContact CG1-CB 3.24Å; V144-F148 HydrophobicContact CG1-CD1 3.7Å; V144-F148 HydrophobicContact CG1-CD2 3.41Å; V144-F148 VanDerWaalsContact CG1-CD2 3.41Å; V144-F148 HydrophobicContact CG1-CE1 4.42Å; V144-F148 HydrophobicContact CG1-CE2 4.22Å; V144-F148 HydrophobicContact CG1-CG 3.12Å; V144-F170 HydrophobicContact CG2-CE2 3.71Å; V144-F170 HydrophobicContact CG2-CZ 3.8Å
145	K	82.8	Confident	83.2	Confident	51 Å²	51	38.1 Å²	38.1	22%	0.222	19%	0.193	C	C	.	.			trans	-88.5	172	179.3	-77.2	-177.7	179.1	173.7	0	111.7	L120 D147 F148 Y155	L120-K145 HydrophobicContact CB-CG 4.38Å; K145-D147 WeakPolarHBondContact CB-OD1 3.43Å; K145-D147 PolarHBondContact O-N 2.92Å; K145-F148 WeakPolarHBondContact O-CB 3.24Å; K145-F148 PolarHBondContact O-N 2.79Å; K145-Y155 HydrophobicContact CD-CE2 3.73Å; K145-Y155 HydrophobicContact CG-CE2 3.9Å; K145-Y155 PolarHBondContact NZ-OH 3.22Å
146	S	74.3	Confident	83.4	Confident	35 Å²	35	31.2 Å²	31.2	25%	0.245	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.4	178.7	70.1	0	0	0	0	113.4	Y119 D122 F148	Y119-S146 VanDerWaalsContact OH-CA 3.3Å; Y119-S146 WeakPolarHBondContact OH-CA 3.49Å; Y119-S146 WeakPolarHBondContact OH-CB 2.87Å; D122-S146 PolarHBondContact OD1-OG 3.21Å; D122-S146 PolarHBondContact OD2-OG 3.4Å; S146-F148 PolarHBondContact O-N 2.88Å
147	D	72.8	Confident	83.7	Confident	68 Å²	68	27.9 Å²	27.9	36%	0.364	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	7.7	178.6	74.4	-31.1	0	0	0	113.9	K145 D149 Q150 S151	K145-D147 WeakPolarHBondContact CB-OD1 3.43Å; K145-D147 PolarHBondContact O-N 2.92Å; D147-D149 PolarHBondContact O-N 3.27Å; D147-D149 VanDerWaalsContact O-N 3.1Å; D147-Q150 WeakPolarHBondContact O-CA 3.36Å; D147-Q150 PolarHBondContact O-N 3.15Å; D147-S151 PolarHBondContact O-N 3.36Å; D147-S151 PolarHBondContact O-OG 3.44Å; D147-S151 VanDerWaalsContact O-OG 3.09Å; D147-S151 PolarHBondContact OD1-OG 3.27Å; D147-S151 WeakPolarHBondContact OD2-CB 3.26Å; D147-S151 PolarHBondContact OD2-OG 2.89Å
148	F	74.1	Confident	83.9	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-54.4	-32.5	-176.7	179.1	-117.9	0	0	0	114.3	R35 V39 V144 K145 S146 Q150 D152 F170	R35-F148 HydrophobicContact CB-CE1 4.13Å; R35-F148 HydrophobicContact CG-CE1 4.29Å; R35-F148 PolarHBondContact NH1-O 2.81Å; V39-F148 HydrophobicContact CG2-CE1 3.81Å; V39-F148 HydrophobicContact CG2-CZ 3.42Å; V39-F148 VanDerWaalsContact CG2-CZ 3.42Å; V144-F148 HydrophobicContact CG1-CB 3.24Å; V144-F148 HydrophobicContact CG1-CD1 3.7Å; V144-F148 HydrophobicContact CG1-CD2 3.41Å; V144-F148 VanDerWaalsContact CG1-CD2 3.41Å; V144-F148 HydrophobicContact CG1-CE1 4.42Å; V144-F148 HydrophobicContact CG1-CE2 4.22Å; V144-F148 HydrophobicContact CG1-CG 3.12Å; K145-F148 WeakPolarHBondContact O-CB 3.24Å; K145-F148 PolarHBondContact O-N 2.79Å; S146-F148 PolarHBondContact O-N 2.88Å; F148-Q150 PolarHBondContact O-N 3.44Å; F148-Q150 VanDerWaalsContact O-N 3.1Å; F148-D152 PolarHBondContact O-N 3.17Å; F148-F170 HydrophobicContact CD2-CD2 4.43Å; F148-F170 HydrophobicContact CD2-CE2 4.26Å; F148-F170 AromaticContact CE2-CD2 3.34Å; F148-F170 HydrophobicContact CE2-CD2 3.34Å; F148-F170 AromaticContact CE2-CE2 3.41Å; F148-F170 HydrophobicContact CE2-CE2 3.41Å; F148-F170 VanDerWaalsContact CE2-CE2 3.41Å; F148-F170 HydrophobicContact CE2-CG 4.39Å; F148-F170 AromaticContact CZ-CD2 3.71Å; F148-F170 HydrophobicContact CZ-CD2 3.71Å; F148-F170 AromaticContact CZ-CE2 3.74Å; F148-F170 HydrophobicContact CZ-CE2 3.74Å; F148-F170 HydrophobicContact CZ-CG 4.44Å
149	D	69.8	Low	83.9	Confident	44 Å²	44	28.6 Å²	28.6	24%	0.235	15%	0.147	C	C	.	.	H	α-helix	trans	-65.1	-9.9	175.5	-66.6	-29.6	0	0	0	114.2	L32 R35 D147	L32-D149 WeakPolarHBondContact CA-OD1 3.49Å; L32-D149 WeakPolarHBondContact CB-OD2 3.31Å; L32-D149 WeakPolarHBondContact CD1-OD1 3.13Å; L32-D149 VanDerWaalsContact CD1-OD2 3.23Å; L32-D149 WeakPolarHBondContact CD1-OD2 3.19Å; R35-D149 PolarHBondContact NH1-O 3.27Å; D147-D149 PolarHBondContact O-N 3.27Å; D147-D149 VanDerWaalsContact O-N 3.1Å
150	Q	72.8	Confident	83.8	Confident	174 Å²	174	29.9 Å²	29.9	81%	0.813	15%	0.153	S	C	*	.	H	α-helix	trans	-119.9	-40.3	176.6	-58	-178.2	19.5	0	0	111.7	D147 F148	D147-Q150 WeakPolarHBondContact O-CA 3.36Å; D147-Q150 PolarHBondContact O-N 3.15Å; F148-Q150 PolarHBondContact O-N 3.44Å; F148-Q150 VanDerWaalsContact O-N 3.1Å
151	S	77.1	Confident	83.6	Confident	29 Å²	29	31.7 Å²	31.7	20%	0.203	16%	0.161	C	C	.	.	H	α-helix	trans	-85.3	-27.2	-169.8	63	0	0	0	0	115.1	D147 T153	D147-S151 PolarHBondContact O-N 3.36Å; D147-S151 PolarHBondContact O-OG 3.44Å; D147-S151 VanDerWaalsContact O-OG 3.09Å; D147-S151 PolarHBondContact OD1-OG 3.27Å; D147-S151 WeakPolarHBondContact OD2-CB 3.26Å; D147-S151 PolarHBondContact OD2-OG 2.89Å; S151-T153 WeakPolarHBondContact CB-OG1 3.49Å; S151-T153 PolarHBondContact O-N 2.97Å; S151-T153 PolarHBondContact OG-N 2.8Å; S151-T153 PolarHBondContact OG-OG1 2.67Å
152	D	80.7	Confident	83.4	Confident	33 Å²	33	38.3 Å²	38.3	18%	0.176	20%	0.201	C	C	.	.			trans	55	14.1	-169.6	-74.3	-39.9	0	0	0	114.3	R35 F148 H169 F170 F171	R35-D152 IonicContact CZ-OD1 3.9Å; R35-D152 IonicContact CZ-OD2 3.04Å; R35-D152 IonicContact NE-OD1 2.7Å; R35-D152 PolarHBondContact NE-OD1 3.13Å; R35-D152 IonicContact NH1-OD1 3.33Å; R35-D152 PolarHBondContact NH1-OD1 3.06Å; R35-D152 IonicContact NH1-OD2 2.59Å; R35-D152 IonicContact NH2-OD1 3.94Å; R35-D152 PolarHBondContact NH2-OD1 3.11Å; R35-D152 IonicContact NH2-OD2 2.77Å; R35-D152 PolarHBondContact NH2-OD2 2.85Å; F148-D152 PolarHBondContact O-N 3.17Å; D152-H169 VanDerWaalsContact O-CA 3.28Å; D152-H169 WeakPolarHBondContact O-CA 3.28Å; D152-F170 PolarHBondContact O-N 2.81Å; D152-F170 VanDerWaalsContact O-N 3.16Å; D152-F171 HydrophobicContact CB-CD2 4.27Å; D152-F171 VanDerWaalsContact OD1-CE2 3.28Å; D152-F171 WeakPolarHBondContact OD1-CE2 3.32Å
153	T	86.8	Confident	83.2	Confident	10 Å²	10	41.8 Å²	41.8	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.6	-174.5	52.6	0	0	0	0	112	S151 G168	S151-T153 WeakPolarHBondContact CB-OG1 3.49Å; S151-T153 PolarHBondContact O-N 2.97Å; S151-T153 PolarHBondContact OG-N 2.8Å; S151-T153 PolarHBondContact OG-OG1 2.67Å; T153-G168 CarbonylContact C-O 3.53Å; T153-G168 VanDerWaalsContact CA-O 3.29Å; T153-G168 WeakPolarHBondContact CA-O 3.47Å
154	F	88.3	Confident	83.2	Confident	3 Å²	3	43.3 Å²	43.3	1%	0.013	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.9	166.7	70.4	-94.7	0	0	0	110.9	M143 S156 E167 G168 H169 F170 I176	M143-F154 CarbonylContact O-C 3.02Å; M143-F154 WeakPolarHBondContact O-CA 3.5Å; F154-S156 WeakPolarHBondContact CD2-OG 3.19Å; F154-S156 WeakPolarHBondContact CE2-OG 3.4Å; F154-E167 WeakPolarHBondContact O-CA 3.42Å; F154-G168 VanDerWaalsContact CE1-C 3.48Å; F154-G168 PolarHBondContact N-O 3.25Å; F154-G168 PolarHBondContact O-N 3.19Å; F154-H169 VanDerWaalsContact CE1-C 3.47Å; F154-F170 HydrophobicContact CB-CD2 3.92Å; F154-F170 HydrophobicContact CB-CE2 3.45Å; F154-F170 VanDerWaalsContact CB-CE2 3.45Å; F154-F170 HydrophobicContact CB-CZ 3.84Å; F154-F170 HydrophobicContact CD1-CD1 4.46Å; F154-F170 AromaticContact CD1-CD2 3.82Å; F154-F170 HydrophobicContact CD1-CD2 3.82Å; F154-F170 HydrophobicContact CD1-CE2 4.17Å; F154-F170 HydrophobicContact CD1-CG 4.05Å; F154-F170 HydrophobicContact CG-CD2 4.31Å; F154-F170 HydrophobicContact CG-CE2 4.2Å; F154-F170 HydrophobicContact CG-CZ 4.43Å; F154-I176 HydrophobicContact CD1-CG1 4.49Å; F154-I176 HydrophobicContact CD2-CG2 4.38Å; F154-I176 HydrophobicContact CE1-CG1 4.07Å; F154-I176 HydrophobicContact CE2-CB 4.43Å; F154-I176 HydrophobicContact CE2-CG1 4.31Å; F154-I176 HydrophobicContact CE2-CG2 4.4Å; F154-I176 HydrophobicContact CZ-CG1 3.98Å
155	Y	90.1	Very high	83.4	Confident	20 Å²	20	46.1 Å²	46.1	8%	0.078	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.9	172.2	-55	-85.9	0	0	0	109	P126 A142 M143 K145 Y165 V166 E167	P126-Y155 HydrophobicContact CB-CD1 4.46Å; P126-Y155 HydrophobicContact CB-CG 4.2Å; P126-Y155 HydrophobicContact CG-CD1 4.04Å; P126-Y155 HydrophobicContact CG-CD2 4.1Å; P126-Y155 HydrophobicContact CG-CE1 4.41Å; P126-Y155 HydrophobicContact CG-CE2 4.45Å; P126-Y155 HydrophobicContact CG-CG 3.87Å; A142-Y155 CarbonylContact C-O 3.14Å; A142-Y155 WeakPolarHBondContact CA-O 3.23Å; M143-Y155 PolarHBondContact N-O 2.72Å; M143-Y155 PolarHBondContact O-N 3.47Å; K145-Y155 HydrophobicContact CD-CE2 3.73Å; K145-Y155 HydrophobicContact CG-CE2 3.9Å; K145-Y155 PolarHBondContact NZ-OH 3.22Å; Y155-Y165 AromaticContact CD1-CD2 3.85Å; Y155-Y165 HydrophobicContact CD1-CD2 3.85Å; Y155-Y165 AromaticContact CD1-CE2 3.81Å; Y155-Y165 HydrophobicContact CD1-CE2 3.81Å; Y155-Y165 HydrophobicContact CE1-CE2 4.28Å; Y155-V166 WeakPolarHBondContact CA-O 3.24Å; Y155-E167 HydrophobicContact CD1-CB 4.02Å; Y155-E167 HydrophobicContact CD1-CG 4.17Å; Y155-E167 HydrophobicContact CE1-CB 3.98Å; Y155-E167 HydrophobicContact CE1-CG 3.75Å
156	S	91.6	Very high	83.8	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.9	178.2	-68	0	0	0	0	111.3	I141 F154 Y165 V166 I176	I141-S156 WeakPolarHBondContact O-CA 3.44Å; F154-S156 WeakPolarHBondContact CD2-OG 3.19Å; F154-S156 WeakPolarHBondContact CE2-OG 3.4Å; S156-Y165 CarbonylContact O-C 3.16Å; S156-Y165 WeakPolarHBondContact O-CA 3.5Å; S156-V166 PolarHBondContact N-O 3.15Å; S156-V166 PolarHBondContact O-N 2.81Å; S156-I176 WeakPolarHBondContact CB-O 3.48Å; S156-I176 PolarHBondContact OG-O 2.77Å
157	C	92.1	Very high	84.6	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	142.2	178.2	-61.5	0	0	0	0	111.7	C130 I141 M143 N164	C130-C157 WeakPolarHBondContact CA-SG 3.33Å; C130-C157 HydrophobicContact CB-CB 3.9Å; C130-C157 WeakPolarHBondContact CB-SG 3.42Å; C130-C157 WeakPolarHBondContact SG-CA 2.98Å; C130-C157 WeakPolarHBondContact SG-CB 3.48Å; C130-C157 CovalentContact SG-SG 2.04Å; C130-C157 PolarHBondContact SG-SG 3.41Å; I141-C157 HydrophobicContact CB-CB 4.28Å; I141-C157 PolarHBondContact O-N 2.99Å; M143-C157 VanDerWaalsContact CE-SG 3.51Å; C157-N164 WeakPolarHBondContact CA-O 3.29Å
158	R	91.5	Very high	85.3	Confident	17 Å²	17	46.5 Å²	46.5	6%	0.064	24%	0.243	C	C	.	.			trans	-139.1	91.1	-179.1	-59.7	-62.1	-179.8	-117.6	6.1	109.3	F160 Q161 N164 V166 P175 I176 N180	R158-F160 PolarHBondContact O-N 3.16Å; R158-Q161 HydrophobicContact CB-CB 3.93Å; R158-Q161 HydrophobicContact CB-CG 3.81Å; R158-Q161 PolarHBondContact O-N 2.99Å; R158-N164 CarbonylContact C-O 2.9Å; R158-N164 PolarHBondContact N-O 3.34Å; R158-N164 CarbonylContact O-C 3.37Å; R158-N164 WeakPolarHBondContact O-CA 3.28Å; R158-V166 HydrophobicContact CG-CB 4.13Å; R158-V166 HydrophobicContact CG-CG2 3.64Å; R158-P175 PolarHBondContact NH2-O 3.23Å; R158-P175 VanDerWaalsContact NH2-O 3.17Å; R158-I176 PolarHBondContact NH1-O 3Å; R158-I176 PolarHBondContact NH2-O 3.35Å; R158-I176 VanDerWaalsContact NH2-O 3.13Å; R158-N180 WeakPolarHBondContact CA-OD1 3.48Å
159	L	86.9	Confident	85.8	Confident	57 Å²	57	49.3 Å²	49.3	30%	0.298	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-42.9	-167	-177.1	63.6	0	0	0	114.4	S134 Q161 N180 F181	S134-L159 VanDerWaalsContact OG-CD1 3.22Å; S134-L159 WeakPolarHBondContact OG-CD1 2.89Å; L159-Q161 VanDerWaalsContact C-N 3.35Å; L159-N180 HydrophobicContact CB-CB 4.46Å; L159-N180 PolarHBondContact N-OD1 2.71Å; L159-F181 HydrophobicContact CD2-CE1 4.14Å; L159-F181 HydrophobicContact CD2-CZ 3.78Å
160	F	87.8	Confident	86.2	Confident	44 Å²	44	47.5 Å²	47.5	19%	0.193	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	18.1	-175.5	-54.1	-67.8	0	0	0	113.3	R158 N180 F181 N183 M184 R185 A187	R158-F160 PolarHBondContact O-N 3.16Å; F160-N180 VanDerWaalsContact CD2-O 3.26Å; F160-N180 WeakPolarHBondContact CD2-O 3.29Å; F160-N180 WeakPolarHBondContact CE2-O 3.47Å; F160-F181 AromaticContact CE2-CD1 3.93Å; F160-F181 HydrophobicContact CE2-CD1 3.93Å; F160-F181 HydrophobicContact CE2-CE1 4.16Å; F160-F181 HydrophobicContact CE2-CG 4.38Å; F160-F181 AromaticContact CZ-CD1 3.84Å; F160-F181 HydrophobicContact CZ-CD1 3.84Å; F160-F181 AromaticContact CZ-CE1 3.78Å; F160-F181 HydrophobicContact CZ-CE1 3.78Å; F160-N183 WeakPolarHBondContact CD2-O 3.17Å; F160-M184 WeakPolarHBondContact CD1-O 3.22Å; F160-M184 HydrophobicContact CE1-CB 4.3Å; F160-M184 HydrophobicContact CE2-CB 4.23Å; F160-M184 HydrophobicContact CE2-CG 3.88Å; F160-M184 HydrophobicContact CZ-CB 4.05Å; F160-M184 HydrophobicContact CZ-CE 4.11Å; F160-M184 HydrophobicContact CZ-CG 3.79Å; F160-R185 HydrophobicContact CB-CB 4.45Å; F160-R185 HydrophobicContact CB-CG 4.29Å; F160-R185 VanDerWaalsContact O-CD 3.24Å; F160-R185 WeakPolarHBondContact O-CD 3.32Å; F160-R185 PolarHBondContact O-NH1 2.76Å; F160-A187 HydrophobicContact CD1-CB 4Å; F160-A187 HydrophobicContact CE1-CB 3.54Å; F160-A187 HydrophobicContact CZ-CB 4.45Å
161	Q	85.3	Confident	86.3	Confident	64 Å²	64	43.8 Å²	43.8	30%	0.299	23%	0.227	S	C	.	.	S	Bend	trans	-116.7	153.8	-179	-51.1	-167.4	14.7	0	0	111	R158 L159 P163 N164	R158-Q161 HydrophobicContact CB-CB 3.93Å; R158-Q161 HydrophobicContact CB-CG 3.81Å; R158-Q161 PolarHBondContact O-N 2.99Å; L159-Q161 VanDerWaalsContact C-N 3.35Å; Q161-P163 CarbonylContact C-O 3.5Å; Q161-P163 CarbonylContact O-C 3.56Å; Q161-P163 VanDerWaalsContact O-O 3.11Å; Q161-N164 VanDerWaalsContact O-CA 3.31Å; Q161-N164 WeakPolarHBondContact O-CA 3.26Å; Q161-N164 PolarHBondContact O-N 2.99Å
162	T	84.3	Confident	86.4	Confident	140 Å²	140	47.8 Å²	47.8	86%	0.859	24%	0.241	S	C	*	.	S	Bend	trans	-124.1	110	173.5	49.9	0	0	0	0	107.8
163	P	85.1	Confident	86.2	Confident	74 Å²	74	53.7 Å²	53.7	48%	0.481	27%	0.272	S	S	.	.	S	Bend	cis	-66.9	159.2	1.8	29.3	-35.4	0	0	0	113.8	Q161 Y165	Q161-P163 CarbonylContact C-O 3.5Å; Q161-P163 CarbonylContact O-C 3.56Å; Q161-P163 VanDerWaalsContact O-O 3.11Å; P163-Y165 HydrophobicContact CB-CD1 4.14Å; P163-Y165 HydrophobicContact CB-CE1 3.99Å; P163-Y165 PolarHBondContact O-N 2.99Å
164	N	87.1	Confident	86	Confident	32 Å²	32	57 Å²	57	17%	0.171	29%	0.287	C	S	.	.	S	Bend	trans	-77.1	15.9	-176.6	71.5	-6.7	0	0	0	113.9	C157 R158 Q161	C157-N164 WeakPolarHBondContact CA-O 3.29Å; R158-N164 CarbonylContact C-O 2.9Å; R158-N164 PolarHBondContact N-O 3.34Å; R158-N164 CarbonylContact O-C 3.37Å; R158-N164 WeakPolarHBondContact O-CA 3.28Å; Q161-N164 VanDerWaalsContact O-CA 3.31Å; Q161-N164 WeakPolarHBondContact O-CA 3.26Å; Q161-N164 PolarHBondContact O-N 2.99Å
165	Y	90.6	Very high	85.8	Confident	63 Å²	63	60.6 Å²	60.6	25%	0.247	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	159	176.9	71.6	-89	0	0	0	110.5	P126 E127 Y155 S156 P163	P126-Y165 HydrophobicContact CB-CD1 4.38Å; P126-Y165 HydrophobicContact CB-CD2 4.35Å; P126-Y165 HydrophobicContact CB-CG 4.26Å; E127-Y165 HydrophobicContact CB-CD1 4.27Å; E127-Y165 HydrophobicContact CB-CE1 4.23Å; Y155-Y165 AromaticContact CD1-CD2 3.85Å; Y155-Y165 HydrophobicContact CD1-CD2 3.85Å; Y155-Y165 AromaticContact CD1-CE2 3.81Å; Y155-Y165 HydrophobicContact CD1-CE2 3.81Å; Y155-Y165 HydrophobicContact CE1-CE2 4.28Å; S156-Y165 CarbonylContact O-C 3.16Å; S156-Y165 WeakPolarHBondContact O-CA 3.5Å; P163-Y165 HydrophobicContact CB-CD1 4.14Å; P163-Y165 HydrophobicContact CB-CE1 3.99Å; P163-Y165 PolarHBondContact O-N 2.99Å
166	V	91.4	Very high	85.7	Confident	55 Å²	55	59.7 Å²	59.7	33%	0.333	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.8	173.2	168	0	0	0	0	108.9	Y155 S156 R158	Y155-V166 WeakPolarHBondContact CA-O 3.24Å; S156-V166 PolarHBondContact N-O 3.15Å; S156-V166 PolarHBondContact O-N 2.81Å; R158-V166 HydrophobicContact CG-CB 4.13Å; R158-V166 HydrophobicContact CG-CG2 3.64Å
167	E	90.1	Very high	85.5	Confident	106 Å²	106	60.9 Å²	60.9	50%	0.495	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.5	169.9	-174.9	177.7	164.6	0	0	109.8	F154 Y155	F154-E167 WeakPolarHBondContact O-CA 3.42Å; Y155-E167 HydrophobicContact CD1-CB 4.02Å; Y155-E167 HydrophobicContact CD1-CG 4.17Å; Y155-E167 HydrophobicContact CE1-CB 3.98Å; Y155-E167 HydrophobicContact CE1-CG 3.75Å
168	G	87.1	Confident	85.3	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	177.2	178.2	0	0	0	0	0	111.5	T153 F154	T153-G168 CarbonylContact C-O 3.53Å; T153-G168 VanDerWaalsContact CA-O 3.29Å; T153-G168 WeakPolarHBondContact CA-O 3.47Å; F154-G168 VanDerWaalsContact CE1-C 3.48Å; F154-G168 PolarHBondContact N-O 3.25Å; F154-G168 PolarHBondContact O-N 3.19Å
169	H	86.1	Confident	85.2	Confident	61 Å²	61	64.5 Å²	64.5	28%	0.282	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.9	174.1	-57	-96	0	0	0	110.5	D152 F154 F171 K172	D152-H169 VanDerWaalsContact O-CA 3.28Å; D152-H169 WeakPolarHBondContact O-CA 3.28Å; F154-H169 VanDerWaalsContact CE1-C 3.47Å; H169-F171 PolarHBondContact O-N 3.38Å; H169-F171 VanDerWaalsContact O-N 3.11Å; H169-K172 HydrophobicContact CB-CB 4.48Å; H169-K172 HydrophobicContact CB-CD 4.11Å; H169-K172 HydrophobicContact CB-CG 4.15Å; H169-K172 PolarHBondContact CD2-NZ 2.96Å; H169-K172 VanDerWaalsContact CD2-NZ 3.27Å; H169-K172 PolarHBondContact NE2-NZ 3.12Å; H169-K172 PolarHBondContact O-N 2.83Å
170	F	78.4	Confident	85.3	Confident	5 Å²	5	62.3 Å²	62.3	2%	0.022	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.4	-172.8	-84.6	-86.9	0	0	0	114.4	V39 L117 V144 F148 D152 F154 I176	V39-F170 HydrophobicContact CB-CD1 4.38Å; V39-F170 HydrophobicContact CB-CE1 4.18Å; V39-F170 HydrophobicContact CG1-CD1 3.94Å; V39-F170 HydrophobicContact CG1-CE1 3.32Å; V39-F170 HydrophobicContact CG1-CZ 3.74Å; V39-F170 HydrophobicContact CG2-CD1 3.86Å; V39-F170 HydrophobicContact CG2-CD2 4.26Å; V39-F170 HydrophobicContact CG2-CE1 3.88Å; V39-F170 HydrophobicContact CG2-CE2 4.17Å; V39-F170 HydrophobicContact CG2-CG 4.05Å; V39-F170 HydrophobicContact CG2-CZ 4.02Å; L117-F170 HydrophobicContact CD1-CZ 4.19Å; V144-F170 HydrophobicContact CG2-CE2 3.71Å; V144-F170 HydrophobicContact CG2-CZ 3.8Å; F148-F170 HydrophobicContact CD2-CD2 4.43Å; F148-F170 HydrophobicContact CD2-CE2 4.26Å; F148-F170 AromaticContact CE2-CD2 3.34Å; F148-F170 HydrophobicContact CE2-CD2 3.34Å; F148-F170 AromaticContact CE2-CE2 3.41Å; F148-F170 HydrophobicContact CE2-CE2 3.41Å; F148-F170 VanDerWaalsContact CE2-CE2 3.41Å; F148-F170 HydrophobicContact CE2-CG 4.39Å; F148-F170 AromaticContact CZ-CD2 3.71Å; F148-F170 HydrophobicContact CZ-CD2 3.71Å; F148-F170 AromaticContact CZ-CE2 3.74Å; F148-F170 HydrophobicContact CZ-CE2 3.74Å; F148-F170 HydrophobicContact CZ-CG 4.44Å; D152-F170 PolarHBondContact O-N 2.81Å; D152-F170 VanDerWaalsContact O-N 3.16Å; F154-F170 HydrophobicContact CB-CD2 3.92Å; F154-F170 HydrophobicContact CB-CE2 3.45Å; F154-F170 VanDerWaalsContact CB-CE2 3.45Å; F154-F170 HydrophobicContact CB-CZ 3.84Å; F154-F170 HydrophobicContact CD1-CD1 4.46Å; F154-F170 AromaticContact CD1-CD2 3.82Å; F154-F170 HydrophobicContact CD1-CD2 3.82Å; F154-F170 HydrophobicContact CD1-CE2 4.17Å; F154-F170 HydrophobicContact CD1-CG 4.05Å; F154-F170 HydrophobicContact CG-CD2 4.31Å; F154-F170 HydrophobicContact CG-CE2 4.2Å; F154-F170 HydrophobicContact CG-CZ 4.43Å; F170-I176 HydrophobicContact CD1-CD1 3.54Å; F170-I176 HydrophobicContact CD1-CG1 4.27Å; F170-I176 HydrophobicContact CE1-CD1 3.57Å; F170-I176 HydrophobicContact CE1-CG1 4.24Å
171	F	73.4	Confident	85.6	Confident	96 Å²	96	60.8 Å²	60.8	42%	0.421	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	7.2	-177	-57	-63.3	0	0	0	113.7	R38 D152 H169	R38-F171 HydrophobicContact CB-CZ 4.49Å; R38-F171 VanDerWaalsContact CD-CZ 3.46Å; R38-F171 HydrophobicContact CG-CE1 3.83Å; R38-F171 HydrophobicContact CG-CZ 4.09Å; D152-F171 HydrophobicContact CB-CD2 4.27Å; D152-F171 VanDerWaalsContact OD1-CE2 3.28Å; D152-F171 WeakPolarHBondContact OD1-CE2 3.32Å; H169-F171 PolarHBondContact O-N 3.38Å; H169-F171 VanDerWaalsContact O-N 3.11Å
172	K	79.3	Confident	85.8	Confident	114 Å²	114	63.9 Å²	63.9	50%	0.496	33%	0.326	S	S	.	.	S	Bend	trans	-95	153.2	166.2	-71.2	-179.1	-178.2	166.7	0	109.1	H169 Q174	H169-K172 HydrophobicContact CB-CB 4.48Å; H169-K172 HydrophobicContact CB-CD 4.11Å; H169-K172 HydrophobicContact CB-CG 4.15Å; H169-K172 PolarHBondContact CD2-NZ 2.96Å; H169-K172 VanDerWaalsContact CD2-NZ 3.27Å; H169-K172 PolarHBondContact NE2-NZ 3.12Å; H169-K172 PolarHBondContact O-N 2.83Å; K172-Q174 HydrophobicContact CB-CG 4.43Å; K172-Q174 PolarHBondContact O-N 3.15Å
173	D	77.8	Confident	86.2	Confident	156 Å²	156	61 Å²	61	83%	0.834	31%	0.305	S	S	*	.	S	Bend	trans	-71.2	70.6	175	-76.9	-34.8	0	0	0	111.4	R42	R42-D173 IonicContact NH2-OD1 2.74Å
174	Q	82.3	Confident	86.5	Confident	81 Å²	81	57.9 Å²	57.9	38%	0.379	29%	0.285	S	S	.	.			trans	-131.5	132.7	177	-67.9	-179.2	-33.2	0	0	109.3	K172 I176	K172-Q174 HydrophobicContact CB-CG 4.43Å; K172-Q174 PolarHBondContact O-N 3.15Å; Q174-I176 PolarHBondContact O-N 3.14Å
175	P	84.4	Confident	86.8	Confident	78 Å²	78	62.7 Å²	62.7	51%	0.506	30%	0.301	S	S	.	.			trans	-71.2	127.1	179.5	28.6	-33.6	0	0	0	110.5	R158 I178	R158-P175 PolarHBondContact NH2-O 3.23Å; R158-P175 VanDerWaalsContact NH2-O 3.17Å; P175-I178 HydrophobicContact CB-CG2 4.26Å; P175-I178 HydrophobicContact CG-CG2 4.05Å
176	I	86.3	Confident	86.8	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.313	C	S	.	.	S	Bend	trans	-69.1	-52.3	178.5	-62.7	157.5	0	0	0	108.8	R42 L43 A142 F154 S156 R158 F170 Q174	R42-I176 HydrophobicContact CG-CD1 4.46Å; L43-I176 HydrophobicContact CD2-CB 4.49Å; L43-I176 HydrophobicContact CD2-CD1 3.57Å; L43-I176 HydrophobicContact CD2-CG2 4.46Å; A142-I176 HydrophobicContact CB-CG2 3.54Å; F154-I176 HydrophobicContact CD1-CG1 4.49Å; F154-I176 HydrophobicContact CD2-CG2 4.38Å; F154-I176 HydrophobicContact CE1-CG1 4.07Å; F154-I176 HydrophobicContact CE2-CB 4.43Å; F154-I176 HydrophobicContact CE2-CG1 4.31Å; F154-I176 HydrophobicContact CE2-CG2 4.4Å; F154-I176 HydrophobicContact CZ-CG1 3.98Å; S156-I176 WeakPolarHBondContact CB-O 3.48Å; S156-I176 PolarHBondContact OG-O 2.77Å; R158-I176 PolarHBondContact NH1-O 3Å; R158-I176 PolarHBondContact NH2-O 3.35Å; R158-I176 VanDerWaalsContact NH2-O 3.13Å; F170-I176 HydrophobicContact CD1-CD1 3.54Å; F170-I176 HydrophobicContact CD1-CG1 4.27Å; F170-I176 HydrophobicContact CE1-CD1 3.57Å; F170-I176 HydrophobicContact CE1-CG1 4.24Å; Q174-I176 PolarHBondContact O-N 3.14Å
177	Y	87.6	Confident	86.8	Confident	25 Å²	25	61.5 Å²	61.5	10%	0.098	31%	0.309	C	S	.	.	S	Bend	trans	-103.1	143.9	177.2	-57.9	-83	0	0	0	110.9	L43 R115 R116 L117 N140 A142	L43-Y177 HydrophobicContact CD2-CD2 4.16Å; L43-Y177 HydrophobicContact CD2-CE2 3.58Å; R115-Y177 HydrophobicContact CB-CD1 4.14Å; R115-Y177 HydrophobicContact CB-CD2 4.24Å; R115-Y177 HydrophobicContact CB-CE1 3.83Å; R115-Y177 HydrophobicContact CB-CE2 3.93Å; R115-Y177 HydrophobicContact CB-CG 4.33Å; R115-Y177 VanDerWaalsContact CD-CD2 3.49Å; R115-Y177 HydrophobicContact CG-CD1 3.89Å; R115-Y177 HydrophobicContact CG-CD2 3.91Å; R115-Y177 HydrophobicContact CG-CE1 4.12Å; R115-Y177 HydrophobicContact CG-CE2 4.12Å; R115-Y177 HydrophobicContact CG-CG 3.77Å; R116-Y177 PolarHBondContact O-OH 3.48Å; L117-Y177 PolarHBondContact N-OH 3.27Å; N140-Y177 HydrophobicContact CB-CD1 4.21Å; N140-Y177 WeakPolarHBondContact O-CE1 3.42Å; A142-Y177 HydrophobicContact CB-CE1 3.84Å; A142-Y177 HydrophobicContact CB-CE2 4.47Å
178	I	89.1	Confident	87	Confident	57 Å²	57	60.5 Å²	60.5	29%	0.292	31%	0.31	S	S	.	.			trans	-132.7	155.4	171.1	71.1	171.4	0	0	0	109.1	P175 N180	P175-I178 HydrophobicContact CB-CG2 4.26Å; P175-I178 HydrophobicContact CG-CG2 4.05Å; I178-N180 PolarHBondContact O-N 3.38Å
179	E	89.8	Confident	87.4	Confident	45 Å²	45	60.5 Å²	60.5	21%	0.21	31%	0.31	C	S	.	.			trans	-75	95.8	168.5	-178.3	54.9	-101.7	0	0	109.8	F181 Q182 H510 L511	E179-F181 PolarHBondContact O-N 3.48Å; E179-F181 PolarHBondContact OE1-N 3.48Å; E179-Q182 HydrophobicContact CB-CG 3.91Å; E179-Q182 HydrophobicContact CG-CB 4.44Å; E179-Q182 HydrophobicContact CG-CG 3.65Å; E179-Q182 PolarHBondContact O-N 3.22Å; E179-H510 IonicContact OE2-CD2 3.65Å; E179-H510 IonicContact OE2-CE1 2.69Å; E179-H510 PolarHBondContact OE2-CE1 3.38Å; E179-H510 IonicContact OE2-NE2 3.57Å; E179-H510 PolarHBondContact OE2-NE2 3.44Å; E179-L511 HydrophobicContact CG-CD1 3.98Å; E179-L511 HydrophobicContact CG-CD2 4.19Å
180	N	89	Confident	87.8	Confident	10 Å²	10	61 Å²	61	5%	0.053	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-57.4	-34.1	-175.3	-76.1	-78	0	0	0	112.6	H139 R158 L159 F160 I178 Q182	H139-N180 PolarHBondContact O-ND2 2.95Å; R158-N180 WeakPolarHBondContact CA-OD1 3.48Å; L159-N180 HydrophobicContact CB-CB 4.46Å; L159-N180 PolarHBondContact N-OD1 2.71Å; F160-N180 VanDerWaalsContact CD2-O 3.26Å; F160-N180 WeakPolarHBondContact CD2-O 3.29Å; F160-N180 WeakPolarHBondContact CE2-O 3.47Å; I178-N180 PolarHBondContact O-N 3.38Å; N180-Q182 VanDerWaalsContact C-N 3.33Å; N180-Q182 PolarHBondContact O-N 3.31Å
181	F	92.1	Very high	88.6	Confident	12 Å²	12	60.8 Å²	60.8	5%	0.053	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-84	-2.9	-173.8	-65.8	-88.5	0	0	0	114.3	H139 L159 F160 E179 N183 M184 L228 P507 H508 L511	H139-F181 HydrophobicContact CB-CE2 4.31Å; H139-F181 AromaticContact CD2-CE2 3.44Å; H139-F181 VanDerWaalsContact CD2-CE2 3.44Å; H139-F181 WeakPolarHBondContact CD2-CE2 3.44Å; H139-F181 AromaticContact CD2-CZ 3.59Å; H139-F181 AromaticContact CG-CE2 3.9Å; H139-F181 AromaticContact NE2-CE2 3.99Å; H139-F181 AromaticContact NE2-CZ 3.63Å; L159-F181 HydrophobicContact CD2-CE1 4.14Å; L159-F181 HydrophobicContact CD2-CZ 3.78Å; F160-F181 AromaticContact CE2-CD1 3.93Å; F160-F181 HydrophobicContact CE2-CD1 3.93Å; F160-F181 HydrophobicContact CE2-CE1 4.16Å; F160-F181 HydrophobicContact CE2-CG 4.38Å; F160-F181 AromaticContact CZ-CD1 3.84Å; F160-F181 HydrophobicContact CZ-CD1 3.84Å; F160-F181 AromaticContact CZ-CE1 3.78Å; F160-F181 HydrophobicContact CZ-CE1 3.78Å; E179-F181 PolarHBondContact O-N 3.48Å; E179-F181 PolarHBondContact OE1-N 3.48Å; F181-N183 PolarHBondContact O-N 3.44Å; F181-M184 HydrophobicContact CD1-CE 4.26Å; F181-M184 HydrophobicContact CD1-CG 4.27Å; F181-M184 HydrophobicContact CD1-SD 4.21Å; F181-L228 WeakPolarHBondContact O-CD2 3.35Å; F181-P507 HydrophobicContact CD2-CB 4.22Å; F181-P507 HydrophobicContact CE1-CB 4.06Å; F181-P507 HydrophobicContact CE1-CG 4.48Å; F181-P507 HydrophobicContact CE2-CB 3.4Å; F181-P507 HydrophobicContact CE2-CG 4.4Å; F181-P507 HydrophobicContact CZ-CB 3.31Å; F181-P507 HydrophobicContact CZ-CG 3.87Å; F181-H508 HydrophobicContact CB-CB 3.73Å; F181-H508 HydrophobicContact CD1-CB 3.97Å; F181-H508 AromaticContact CD1-ND1 3.83Å; F181-H508 HydrophobicContact CD2-CB 4.3Å; F181-H508 AromaticContact CE1-ND1 3.97Å; F181-H508 HydrophobicContact CG-CB 3.73Å; F181-L511 HydrophobicContact CB-CD1 3.74Å
182	Q	90.6	Very high	89.6	Confident	130 Å²	130	56.4 Å²	56.4	61%	0.607	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.2	-26.9	173.1	-83.8	178.3	17.5	0	0	113.1	E179 N180	E179-Q182 HydrophobicContact CB-CG 3.91Å; E179-Q182 HydrophobicContact CG-CB 4.44Å; E179-Q182 HydrophobicContact CG-CG 3.65Å; E179-Q182 PolarHBondContact O-N 3.22Å; N180-Q182 VanDerWaalsContact C-N 3.33Å; N180-Q182 PolarHBondContact O-N 3.31Å
183	N	92.4	Very high	90.1	Very high	78 Å²	78	51.2 Å²	51.2	42%	0.417	27%	0.268	S	S	.	.			trans	-143.3	97.5	174.4	-175	-7.4	0	0	0	110.2	F160 F181 R185 L228 N229	F160-N183 WeakPolarHBondContact CD2-O 3.17Å; F181-N183 PolarHBondContact O-N 3.44Å; N183-R185 PolarHBondContact O-N 3.3Å; N183-R185 PolarHBondContact OD1-N 3.26Å; N183-R185 VanDerWaalsContact OD1-N 3.15Å; N183-L228 WeakPolarHBondContact CA-O 3.42Å; N183-N229 WeakPolarHBondContact OD1-CB 3.36Å; N183-N229 PolarHBondContact OD1-ND2 3.24Å
184	M	92.1	Very high	90.6	Very high	9 Å²	9	44.1 Å²	44.1	4%	0.044	23%	0.231	C	C	.	.			trans	-78.8	-3.2	-177.4	-66.3	-176.2	67.4	0	0	113.6	F160 F181 A186 A187 I189 L228 A230	F160-M184 WeakPolarHBondContact CD1-O 3.22Å; F160-M184 HydrophobicContact CE1-CB 4.3Å; F160-M184 HydrophobicContact CE2-CB 4.23Å; F160-M184 HydrophobicContact CE2-CG 3.88Å; F160-M184 HydrophobicContact CZ-CB 4.05Å; F160-M184 HydrophobicContact CZ-CE 4.11Å; F160-M184 HydrophobicContact CZ-CG 3.79Å; F181-M184 HydrophobicContact CD1-CE 4.26Å; F181-M184 HydrophobicContact CD1-CG 4.27Å; F181-M184 HydrophobicContact CD1-SD 4.21Å; M184-A186 VanDerWaalsContact C-N 3.32Å; M184-A186 PolarHBondContact O-N 3Å; M184-A187 HydrophobicContact CB-CB 4.12Å; M184-A187 HydrophobicContact CE-CB 4.12Å; M184-A187 WeakPolarHBondContact O-CB 3.22Å; M184-A187 PolarHBondContact O-N 3.48Å; M184-I189 HydrophobicContact CE-CD1 4.5Å; M184-I189 HydrophobicContact CE-CG1 4Å; M184-I189 HydrophobicContact SD-CD1 4.15Å; M184-I189 HydrophobicContact SD-CG1 4.3Å; M184-L228 HydrophobicContact CG-CB 4.24Å; M184-L228 PolarHBondContact N-O 3.41Å; M184-L228 HydrophobicContact SD-CB 4.12Å; M184-L228 HydrophobicContact SD-CD1 3.99Å; M184-A230 HydrophobicContact CB-CB 4Å; M184-A230 HydrophobicContact CE-CB 4.35Å; M184-A230 HydrophobicContact CG-CB 4.35Å; M184-A230 HydrophobicContact SD-CB 3.68Å
185	R	91.8	Very high	90.5	Very high	134 Å²	134	43.2 Å²	43.2	51%	0.506	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	51.3	179.2	-59	-170.2	-176.5	175.6	-10.3	113.6	F160 N183 A187 N229	F160-R185 HydrophobicContact CB-CB 4.45Å; F160-R185 HydrophobicContact CB-CG 4.29Å; F160-R185 VanDerWaalsContact O-CD 3.24Å; F160-R185 WeakPolarHBondContact O-CD 3.32Å; F160-R185 PolarHBondContact O-NH1 2.76Å; N183-R185 PolarHBondContact O-N 3.3Å; N183-R185 PolarHBondContact OD1-N 3.26Å; N183-R185 VanDerWaalsContact OD1-N 3.15Å; R185-A187 VanDerWaalsContact C-N 3.26Å; R185-A187 PolarHBondContact O-N 3.19Å; R185-N229 PolarHBondContact N-O 3.13Å
186	A	90.8	Very high	90.7	Very high	61 Å²	61	41.7 Å²	41.7	50%	0.504	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	17.3	-177.5	0	0	0	0	0	115.7	M184 N229	M184-A186 VanDerWaalsContact C-N 3.32Å; M184-A186 PolarHBondContact O-N 3Å; A186-N229 WeakPolarHBondContact CA-O 3.28Å; A186-N229 PolarHBondContact N-O 3.25Å
187	A	92.7	Very high	90.9	Very high	31 Å²	31	43.4 Å²	43.4	26%	0.256	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-60.3	154.2	167.7	0	0	0	0	0	111.2	F160 M184 R185 A230 K231	F160-A187 HydrophobicContact CD1-CB 4Å; F160-A187 HydrophobicContact CE1-CB 3.54Å; F160-A187 HydrophobicContact CZ-CB 4.45Å; M184-A187 HydrophobicContact CB-CB 4.12Å; M184-A187 HydrophobicContact CE-CB 4.12Å; M184-A187 WeakPolarHBondContact O-CB 3.22Å; M184-A187 PolarHBondContact O-N 3.48Å; R185-A187 VanDerWaalsContact C-N 3.26Å; R185-A187 PolarHBondContact O-N 3.19Å; A187-A230 WeakPolarHBondContact O-CA 3.4Å; A187-K231 PolarHBondContact O-N 3.29Å
188	T	93.8	Very high	91	Very high	85 Å²	85	42.5 Å²	42.5	52%	0.521	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	134.3	-168.6	54.1	0	0	0	0	112.3	K231 H233	T188-K231 CarbonylContact C-O 3.59Å; T188-K231 VanDerWaalsContact CA-O 3.25Å; T188-K231 WeakPolarHBondContact CA-O 3.29Å; T188-H233 HydrophobicContact CG2-CB 4.42Å
189	I	95.2	Very high	91.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.9	165.6	-60.6	171.9	0	0	0	107.4	M184 Y224 A230 K231 L232 H233 D260 I261	M184-I189 HydrophobicContact CE-CD1 4.5Å; M184-I189 HydrophobicContact CE-CG1 4Å; M184-I189 HydrophobicContact SD-CD1 4.15Å; M184-I189 HydrophobicContact SD-CG1 4.3Å; I189-Y224 HydrophobicContact CD1-CD1 4.43Å; I189-Y224 HydrophobicContact CD1-CE1 4.28Å; I189-A230 HydrophobicContact CD1-CB 3.74Å; I189-A230 HydrophobicContact CG1-CB 4.12Å; I189-K231 PolarHBondContact N-O 3.43Å; I189-L232 HydrophobicContact CB-CD2 4.2Å; I189-L232 HydrophobicContact CG2-CD2 4.44Å; I189-H233 PolarHBondContact O-N 3.14Å; I189-D260 HydrophobicContact CG2-CB 4.29Å; I189-I261 HydrophobicContact CG2-CD1 4.03Å; I189-I261 HydrophobicContact CG2-CG1 4.22Å
190	R	95.6	Very high	91.2	Very high	72 Å²	72	38.7 Å²	38.7	27%	0.272	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.2	-178.5	-57.8	172.6	-67.8	161.8	0.7	109.6	H233 I235 D257 I258 D260 I261	R190-H233 WeakPolarHBondContact CA-O 3.39Å; R190-I235 HydrophobicContact CB-CD1 4.09Å; R190-I235 HydrophobicContact CB-CG1 4.34Å; R190-D257 VanDerWaalsContact CZ-O 3.31Å; R190-D257 PolarHBondContact NH1-O 2.97Å; R190-D257 PolarHBondContact NH2-O 2.85Å; R190-I258 PolarHBondContact NH1-O 2.8Å; R190-D260 HydrophobicContact CB-CB 4.45Å; R190-D260 VanDerWaalsContact CB-OD2 3.24Å; R190-D260 WeakPolarHBondContact CB-OD2 3.39Å; R190-D260 WeakPolarHBondContact CG-OD2 3.42Å; R190-D260 IonicContact CZ-OD1 3.9Å; R190-D260 IonicContact CZ-OD2 3.28Å; R190-D260 PolarHBondContact N-OD2 3.29Å; R190-D260 IonicContact NE-OD1 3.01Å; R190-D260 PolarHBondContact NE-OD1 3.36Å; R190-D260 IonicContact NE-OD2 2.81Å; R190-D260 PolarHBondContact NE-OD2 3.17Å; R190-D260 IonicContact NH2-OD1 3.93Å; R190-D260 PolarHBondContact NH2-OD1 3.15Å; R190-D260 IonicContact NH2-OD2 2.69Å; R190-D260 WeakPolarHBondContact O-CB 3.48Å; R190-D260 PolarHBondContact O-N 3.46Å; R190-I261 PolarHBondContact O-N 2.97Å
191	T	94.8	Very high	91.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	153.6	-178.3	-166.3	0	0	0	0	112.6	H233 F234 I235 I261 T263	T191-H233 PolarHBondContact N-O 3.03Å; T191-F234 HydrophobicContact CG2-CD1 3.77Å; T191-F234 HydrophobicContact CG2-CE1 3.81Å; T191-F234 HydrophobicContact CG2-CG 4.47Å; T191-F234 WeakPolarHBondContact O-CA 3.43Å; T191-I235 PolarHBondContact O-N 3.45Å; T191-I261 WeakPolarHBondContact CA-O 3.4Å; T191-I261 VanDerWaalsContact CB-O 3.28Å; T191-I261 WeakPolarHBondContact CB-O 3.31Å; T191-I261 PolarHBondContact OG1-O 3.44Å; T191-T263 PolarHBondContact OG1-OG1 3.16Å
192	V	93.4	Very high	91.2	Very high	4 Å²	4	42 Å²	42	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.2	171.4	174.9	0	0	0	0	108.1	I235 T237 P245 I250 W253 V259 T263	V192-I235 HydrophobicContact CG2-CB 3.66Å; V192-I235 HydrophobicContact CG2-CD1 4.17Å; V192-I235 HydrophobicContact CG2-CG1 4.07Å; V192-T237 HydrophobicContact CG1-CG2 3.58Å; V192-T237 HydrophobicContact CG2-CG2 4.3Å; V192-P245 HydrophobicContact CG1-CB 4.37Å; V192-P245 HydrophobicContact CG1-CG 4.15Å; V192-I250 HydrophobicContact CB-CG1 4.46Å; V192-I250 HydrophobicContact CG1-CD1 4.09Å; V192-I250 HydrophobicContact CG1-CG1 3.9Å; V192-W253 HydrophobicContact CG1-CE3 4.36Å; V192-W253 HydrophobicContact CG1-CZ3 3.99Å; V192-V259 HydrophobicContact CB-CG2 4.29Å; V192-V259 HydrophobicContact CG2-CG2 3.67Å; V192-T263 WeakPolarHBondContact O-CA 3.45Å; V192-T263 PolarHBondContact O-N 2.83Å
193	A	90.8	Very high	91.2	Very high	6 Å²	6	38.4 Å²	38.4	5%	0.05	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	145.8	174.2	0	0	0	0	0	111.1	T200 L202 P245 T263	A193-T200 HydrophobicContact CB-CG2 3.46Å; A193-T200 VanDerWaalsContact CB-CG2 3.46Å; A193-L202 HydrophobicContact CB-CD1 3.81Å; A193-L202 HydrophobicContact CB-CD2 3.77Å; A193-L202 HydrophobicContact CB-CG 3.69Å; A193-P245 VanDerWaalsContact O-CG 3.24Å; A193-P245 WeakPolarHBondContact O-CG 3.48Å; A193-T263 WeakPolarHBondContact CA-O 3.27Å
194	D	87.1	Confident	91.1	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	22%	0.221	C	C	.	.			trans	-75.3	171.8	162.8	64.2	44.3	0	0	0	111.8	L196 R199 I250 T263 A264	D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 WeakPolarHBondContact OD1-CB 3.46Å; D194-L196 PolarHBondContact OD1-N 2.74Å; D194-R199 IonicContact OD1-NE 3.23Å; D194-R199 PolarHBondContact OD1-NE 3.13Å; D194-R199 IonicContact OD2-CZ 3.87Å; D194-R199 IonicContact OD2-NE 3.79Å; D194-R199 PolarHBondContact OD2-NE 3.18Å; D194-R199 IonicContact OD2-NH2 2.71Å; D194-R199 PolarHBondContact OD2-NH2 3.48Å; D194-I250 HydrophobicContact CB-CD1 3.86Å; D194-T263 PolarHBondContact N-O 3.46Å; D194-A264 HydrophobicContact CB-CB 3.97Å; D194-A264 WeakPolarHBondContact OD2-CA 3.47Å; D194-A264 WeakPolarHBondContact OD2-CB 3.24Å
195	S	81.9	Confident	90.9	Very high	61 Å²	61	44.7 Å²	44.7	43%	0.427	23%	0.227	S	C	.	.	S	Bend	trans	-95.9	23.8	177.4	-55.6	0	0	0	0	112.9
196	L	88.4	Confident	90.7	Very high	46 Å²	46	47.6 Å²	47.6	24%	0.241	25%	0.246	C	C	.	.			trans	-98.5	110.9	-176.5	-65.7	-176.6	0	0	0	111	D194 R199 T200 L450	D194-L196 VanDerWaalsContact C-N 3.34Å; D194-L196 WeakPolarHBondContact OD1-CB 3.46Å; D194-L196 PolarHBondContact OD1-N 2.74Å; L196-R199 HydrophobicContact CB-CG 4.33Å; L196-R199 WeakPolarHBondContact O-CG 3.49Å; L196-R199 PolarHBondContact O-N 3.34Å; L196-T200 PolarHBondContact O-N 2.9Å; L196-L450 HydrophobicContact CD2-CD1 3.49Å; L196-L450 VanDerWaalsContact CD2-CD1 3.49Å; L196-L450 HydrophobicContact CD2-CD2 3.93Å; L196-L450 HydrophobicContact CD2-CG 4.38Å
197	V	89.2	Confident	90.6	Very high	37 Å²	37	54.1 Å²	54.1	22%	0.224	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	145.9	174.4	-57.7	0	0	0	0	110.5	I201 R468 M536 L541	V197-I201 HydrophobicContact CG1-CG1 4.22Å; V197-R468 WeakPolarHBondContact O-CD 3.29Å; V197-R468 PolarHBondContact O-NE 3.19Å; V197-M536 HydrophobicContact CB-CE 4Å; V197-M536 HydrophobicContact CG2-CE 3.59Å; V197-L541 HydrophobicContact CG1-CD1 4.21Å
198	P	89.8	Confident	90.4	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.039	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	cis	-99.7	14.4	4.6	41	-38.5	0	0	0	114.3	T200 G215 Y216 M536	P198-T200 VanDerWaalsContact C-N 3.33Å; P198-T200 PolarHBondContact O-N 3.08Å; P198-G215 WeakPolarHBondContact O-CA 3.39Å; P198-Y216 HydrophobicContact CG-CE1 4.48Å; P198-M536 HydrophobicContact CB-CG 3.84Å; P198-M536 HydrophobicContact CB-SD 3.6Å; P198-M536 HydrophobicContact CG-SD 4.37Å
199	R	91.3	Very high	90.1	Very high	19 Å²	19	52.9 Å²	52.9	7%	0.072	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-41.3	-173.7	62.9	175.2	178.9	-158.4	19.3	112.6	D194 L196 G215 Y216 L217 G218	D194-R199 IonicContact OD1-NE 3.23Å; D194-R199 PolarHBondContact OD1-NE 3.13Å; D194-R199 IonicContact OD2-CZ 3.87Å; D194-R199 IonicContact OD2-NE 3.79Å; D194-R199 PolarHBondContact OD2-NE 3.18Å; D194-R199 IonicContact OD2-NH2 2.71Å; D194-R199 PolarHBondContact OD2-NH2 3.48Å; L196-R199 HydrophobicContact CB-CG 4.33Å; L196-R199 WeakPolarHBondContact O-CG 3.49Å; L196-R199 PolarHBondContact O-N 3.34Å; R199-G215 CarbonylContact O-C 3.49Å; R199-G215 VanDerWaalsContact O-C 3.28Å; R199-G215 WeakPolarHBondContact O-CA 3.23Å; R199-Y216 HydrophobicContact CB-CD1 4.23Å; R199-Y216 HydrophobicContact CB-CD2 4.44Å; R199-Y216 HydrophobicContact CB-CE1 3.48Å; R199-Y216 VanDerWaalsContact CB-CE1 3.48Å; R199-Y216 HydrophobicContact CB-CE2 3.68Å; R199-Y216 WeakPolarHBondContact CB-OH 3.35Å; R199-Y216 PolarHBondContact O-N 3.46Å; R199-L217 HydrophobicContact CB-CB 4.49Å; R199-L217 WeakPolarHBondContact O-CB 3.45Å; R199-L217 PolarHBondContact O-N 2.95Å; R199-G218 PolarHBondContact O-N 3.08Å
200	T	91.3	Very high	89.8	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.018	28%	0.282	C	S	.	.			trans	-139.7	130.1	177	-53.6	0	0	0	0	108.9	A193 L196 P198 M213 M214 T263	A193-T200 HydrophobicContact CB-CG2 3.46Å; A193-T200 VanDerWaalsContact CB-CG2 3.46Å; L196-T200 PolarHBondContact O-N 2.9Å; P198-T200 VanDerWaalsContact C-N 3.33Å; P198-T200 PolarHBondContact O-N 3.08Å; T200-M213 HydrophobicContact CG2-SD 4.4Å; T200-M214 WeakPolarHBondContact CA-O 3.41Å; T200-T263 HydrophobicContact CG2-CG2 3.52Å; T200-T263 WeakPolarHBondContact OG1-CG2 3.47Å; T200-T263 PolarHBondContact OG1-O 2.69Å
201	I	91.3	Very high	89.5	Confident	7 Å²	7	57 Å²	57	4%	0.036	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	107.4	179.5	-49.5	174.1	0	0	0	107.8	V197 M213 M214 M536 L539 L541	V197-I201 HydrophobicContact CG1-CG1 4.22Å; I201-M213 CarbonylContact O-C 3.46Å; I201-M213 VanDerWaalsContact O-CA 3.23Å; I201-M213 WeakPolarHBondContact O-CA 3.13Å; I201-M214 HydrophobicContact CB-CB 4.25Å; I201-M214 PolarHBondContact N-O 2.9Å; I201-M214 PolarHBondContact O-N 2.96Å; I201-M536 HydrophobicContact CD1-CG 3.88Å; I201-L539 HydrophobicContact CB-CD1 4.25Å; I201-L539 HydrophobicContact CG2-CD1 3.44Å; I201-L539 VanDerWaalsContact CG2-CD1 3.44Å; I201-L541 HydrophobicContact CD1-CD1 4.37Å; I201-L541 HydrophobicContact CG2-CD1 3.4Å; I201-L541 VanDerWaalsContact CG2-CD1 3.4Å
202	L	90.8	Very high	89.3	Confident	85 Å²	85	60.5 Å²	60.5	45%	0.445	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.3	172.2	-65.9	-175.4	0	0	0	109.8	A193 T211 M213 F234	A193-L202 HydrophobicContact CB-CD1 3.81Å; A193-L202 HydrophobicContact CB-CD2 3.77Å; A193-L202 HydrophobicContact CB-CG 3.69Å; L202-T211 HydrophobicContact CD2-CG2 4.48Å; L202-M213 HydrophobicContact CD2-CB 3.75Å; L202-F234 HydrophobicContact CD2-CD1 3.89Å; L202-F234 HydrophobicContact CD2-CE1 3.62Å; L202-F234 HydrophobicContact CD2-CZ 4.36Å
203	Y	90.6	Very high	89.3	Confident	55 Å²	55	60.4 Å²	60.4	22%	0.216	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.6	173.8	72.3	-75.2	0	0	0	109.9	D205 K212 M214 L539	Y203-D205 HydrophobicContact CE2-CB 4.39Å; Y203-K212 HydrophobicContact CD1-CB 4.29Å; Y203-K212 HydrophobicContact CE1-CB 3.56Å; Y203-K212 HydrophobicContact CE2-CB 4.14Å; Y203-K212 VanDerWaalsContact CZ-CB 3.49Å; Y203-K212 PolarHBondContact N-O 3.44Å; Y203-K212 PolarHBondContact O-N 3.29Å; Y203-M214 HydrophobicContact CD1-CE 4.44Å; Y203-M214 HydrophobicContact CD1-CG 4.19Å; Y203-M214 HydrophobicContact CD1-SD 4.44Å; Y203-M214 HydrophobicContact CE1-CB 4.28Å; Y203-M214 HydrophobicContact CE1-CE 3.7Å; Y203-M214 HydrophobicContact CE1-CG 3.59Å; Y203-M214 HydrophobicContact CE1-SD 4.05Å; Y203-M214 HydrophobicContact CE2-CE 4.04Å; Y203-M214 VanDerWaalsContact CZ-CE 3.44Å; Y203-M214 WeakPolarHBondContact OH-CE 3.26Å; Y203-L539 HydrophobicContact CD1-CD1 4.37Å; Y203-L539 HydrophobicContact CD2-CD2 4.27Å; Y203-L539 HydrophobicContact CG-CD1 4.4Å; Y203-L539 HydrophobicContact CG-CD2 4.09Å
204	R	90.8	Very high	89.4	Confident	187 Å²	187	61.9 Å²	61.9	71%	0.706	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	122.8	174.1	-164.2	170.3	-170.5	166.2	-0.4	108.4	E206 G209	R204-E206 PolarHBondContact O-N 2.64Å; R204-G209 PolarHBondContact NE-O 3.48Å; R204-G209 PolarHBondContact NH2-O 3.12Å
205	D	88.6	Confident	89.6	Confident	31 Å²	31	61.6 Å²	61.6	17%	0.166	31%	0.307	C	S	.	.			trans	-69.4	124.1	177.6	-175.4	13.3	0	0	0	109.6	Y203 K207 S208 G209 E210 K212	Y203-D205 HydrophobicContact CE2-CB 4.39Å; D205-K207 PolarHBondContact O-N 2.69Å; D205-K207 PolarHBondContact OD1-N 2.93Å; D205-S208 WeakPolarHBondContact CB-OG 3.33Å; D205-S208 PolarHBondContact OD2-OG 3.5Å; D205-G209 WeakPolarHBondContact O-CA 3.44Å; D205-G209 PolarHBondContact O-N 3.09Å; D205-E210 PolarHBondContact N-O 3.4Å; D205-K212 HydrophobicContact CB-CD 3.96Å; D205-K212 HydrophobicContact CB-CG 4.38Å; D205-K212 WeakPolarHBondContact OD2-CE 3.43Å; D205-K212 IonicContact OD2-NZ 3.73Å; D205-K212 PolarHBondContact OD2-NZ 2.79Å
206	E	86.7	Confident	90.1	Very high	196 Å²	196	59.1 Å²	59.1	92%	0.916	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-29.1	179.3	-63.3	-173.8	165.1	0	0	111.9	R204	R204-E206 PolarHBondContact O-N 2.64Å
207	K	88.9	Confident	90.4	Very high	198 Å²	198	57 Å²	57	86%	0.861	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-47.9	-177	-66.7	-176.8	-179.5	179	0	113	D205	D205-K207 PolarHBondContact O-N 2.69Å; D205-K207 PolarHBondContact OD1-N 2.93Å
208	S	87.9	Confident	90.7	Very high	56 Å²	56	55.2 Å²	55.2	39%	0.392	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-17.2	-178.2	73.4	0	0	0	0	113.7	D205 E210	D205-S208 WeakPolarHBondContact CB-OG 3.33Å; D205-S208 PolarHBondContact OD2-OG 3.5Å; S208-E210 PolarHBondContact O-N 3.13Å; S208-E210 VanDerWaalsContact O-N 3.14Å; S208-E210 WeakPolarHBondContact OG-CB 3.39Å; S208-E210 PolarHBondContact OG-N 3.18Å
209	G	87.1	Confident	90.9	Very high	33 Å²	33	56.8 Å²	56.8	34%	0.34	27%	0.274	S	S	.	.			trans	69.2	-0.8	-172.6	0	0	0	0	0	114.3	R204 D205	R204-G209 PolarHBondContact NE-O 3.48Å; R204-G209 PolarHBondContact NH2-O 3.12Å; D205-G209 WeakPolarHBondContact O-CA 3.44Å; D205-G209 PolarHBondContact O-N 3.09Å
210	E	88.8	Confident	91.1	Very high	95 Å²	95	55.9 Å²	55.9	44%	0.444	27%	0.27	S	S	.	.			trans	-84.4	147.9	179.4	-64.2	-170.7	136.4	0	0	111.2	D205 S208 K212 K231	D205-E210 PolarHBondContact N-O 3.4Å; S208-E210 PolarHBondContact O-N 3.13Å; S208-E210 VanDerWaalsContact O-N 3.14Å; S208-E210 WeakPolarHBondContact OG-CB 3.39Å; S208-E210 PolarHBondContact OG-N 3.18Å; E210-K212 PolarHBondContact O-N 3.32Å; E210-K231 IonicContact OE1-NZ 2.83Å; E210-K231 PolarHBondContact OE1-NZ 3.16Å
211	T	90.3	Very high	91.3	Very high	65 Å²	65	55.8 Å²	55.8	40%	0.399	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.2	170.2	-53.9	0	0	0	0	109	L202 F234	L202-T211 HydrophobicContact CD2-CG2 4.48Å; T211-F234 HydrophobicContact CG2-CD2 3.98Å; T211-F234 HydrophobicContact CG2-CE2 4.3Å; T211-F234 HydrophobicContact CG2-CG 4.19Å; T211-F234 VanDerWaalsContact O-CE2 3.23Å; T211-F234 WeakPolarHBondContact O-CE2 3.48Å
212	K	91.4	Very high	91.5	Very high	74 Å²	74	57.1 Å²	57.1	32%	0.322	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	170.3	174.5	-69.9	-173.9	-177.3	168.3	0	109.3	Y203 D205 E210	Y203-K212 HydrophobicContact CD1-CB 4.29Å; Y203-K212 HydrophobicContact CE1-CB 3.56Å; Y203-K212 HydrophobicContact CE2-CB 4.14Å; Y203-K212 VanDerWaalsContact CZ-CB 3.49Å; Y203-K212 PolarHBondContact N-O 3.44Å; Y203-K212 PolarHBondContact O-N 3.29Å; D205-K212 HydrophobicContact CB-CD 3.96Å; D205-K212 HydrophobicContact CB-CG 4.38Å; D205-K212 WeakPolarHBondContact OD2-CE 3.43Å; D205-K212 IonicContact OD2-NZ 3.73Å; D205-K212 PolarHBondContact OD2-NZ 2.79Å; E210-K212 PolarHBondContact O-N 3.32Å
213	M	92.3	Very high	91.7	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	148.4	176.2	69.3	-175.9	-171.9	0	0	113.1	T200 I201 L202 G218 I221 N222 L232 F234 T263	T200-M213 HydrophobicContact CG2-SD 4.4Å; I201-M213 CarbonylContact O-C 3.46Å; I201-M213 VanDerWaalsContact O-CA 3.23Å; I201-M213 WeakPolarHBondContact O-CA 3.13Å; L202-M213 HydrophobicContact CD2-CB 3.75Å; M213-G218 WeakPolarHBondContact CE-O 3.49Å; M213-I221 HydrophobicContact CE-CB 3.27Å; M213-I221 HydrophobicContact CE-CG1 4.06Å; M213-I221 HydrophobicContact CE-CG2 3.34Å; M213-N222 WeakPolarHBondContact CE-OD1 3.22Å; M213-N222 WeakPolarHBondContact CG-OD1 3.38Å; M213-N222 PolarHBondContact O-ND2 2.89Å; M213-L232 HydrophobicContact CE-CD1 3.87Å; M213-F234 HydrophobicContact CB-CE1 4.38Å; M213-F234 HydrophobicContact CB-CZ 4.27Å; M213-F234 HydrophobicContact CG-CE1 4.34Å; M213-F234 HydrophobicContact CG-CZ 4.1Å; M213-F234 HydrophobicContact SD-CE1 3.66Å; M213-F234 HydrophobicContact SD-CZ 3.92Å; M213-T263 HydrophobicContact CE-CG2 4.07Å; M213-T263 HydrophobicContact SD-CG2 3.89Å
214	M	92.4	Very high	92	Very high	37 Å²	37	52.2 Å²	52.2	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	-177.4	177.6	-83.9	-178	-162.9	0	0	109.8	T200 I201 Y203 E535 L539	T200-M214 WeakPolarHBondContact CA-O 3.41Å; I201-M214 HydrophobicContact CB-CB 4.25Å; I201-M214 PolarHBondContact N-O 2.9Å; I201-M214 PolarHBondContact O-N 2.96Å; Y203-M214 HydrophobicContact CD1-CE 4.44Å; Y203-M214 HydrophobicContact CD1-CG 4.19Å; Y203-M214 HydrophobicContact CD1-SD 4.44Å; Y203-M214 HydrophobicContact CE1-CB 4.28Å; Y203-M214 HydrophobicContact CE1-CE 3.7Å; Y203-M214 HydrophobicContact CE1-CG 3.59Å; Y203-M214 HydrophobicContact CE1-SD 4.05Å; Y203-M214 HydrophobicContact CE2-CE 4.04Å; Y203-M214 VanDerWaalsContact CZ-CE 3.44Å; Y203-M214 WeakPolarHBondContact OH-CE 3.26Å; M214-E535 HydrophobicContact SD-CB 4.27Å; M214-E535 HydrophobicContact SD-CG 4.27Å; M214-L539 HydrophobicContact SD-CD1 3.92Å; M214-L539 HydrophobicContact SD-CG 4.46Å
215	G	92.3	Very high	92.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	90.9	162.2	-173.9	0	0	0	0	0	112.3	P198 R199 L217 G218 H219 E535	P198-G215 WeakPolarHBondContact O-CA 3.39Å; R199-G215 CarbonylContact O-C 3.49Å; R199-G215 VanDerWaalsContact O-C 3.28Å; R199-G215 WeakPolarHBondContact O-CA 3.23Å; G215-L217 VanDerWaalsContact C-N 3.28Å; G215-L217 PolarHBondContact O-N 3.12Å; G215-G218 CarbonylContact O-C 3.55Å; G215-G218 WeakPolarHBondContact O-CA 3.38Å; G215-G218 PolarHBondContact O-N 2.81Å; G215-H219 PolarHBondContact O-CD2 3.09Å; G215-H219 PolarHBondContact O-N 3.42Å; G215-E535 PolarHBondContact N-OE2 2.79Å
216	Y	92.8	Very high	92.6	Very high	10 Å²	10	49 Å²	49	4%	0.039	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-28.7	-172.6	64.8	-103.6	0	0	0	114.6	P198 R199 L265 Y281 L282 K529 S532	P198-Y216 HydrophobicContact CG-CE1 4.48Å; R199-Y216 HydrophobicContact CB-CD1 4.23Å; R199-Y216 HydrophobicContact CB-CD2 4.44Å; R199-Y216 HydrophobicContact CB-CE1 3.48Å; R199-Y216 VanDerWaalsContact CB-CE1 3.48Å; R199-Y216 HydrophobicContact CB-CE2 3.68Å; R199-Y216 WeakPolarHBondContact CB-OH 3.35Å; R199-Y216 PolarHBondContact O-N 3.46Å; Y216-L265 HydrophobicContact CE2-CD1 4.04Å; Y216-Y281 HydrophobicContact CD2-CE1 4.22Å; Y216-Y281 HydrophobicContact CE2-CE1 4.43Å; Y216-Y281 PolarHBondContact O-OH 3.36Å; Y216-L282 HydrophobicContact CD2-CD1 4.35Å; Y216-L282 HydrophobicContact CE2-CD1 3.57Å; Y216-K529 HydrophobicContact CD1-CG 3.81Å; Y216-K529 HydrophobicContact CD2-CG 4.41Å; Y216-K529 HydrophobicContact CE1-CG 4.4Å; Y216-K529 HydrophobicContact CG-CG 3.78Å; Y216-S532 PolarHBondContact N-OG 3.27Å
217	L	94.3	Very high	93	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-82.1	-37.5	171.9	-178.5	62.2	0	0	0	110.3	R199 G215 H219 M220 I221 T263 L265 Y281 P500	R199-L217 HydrophobicContact CB-CB 4.49Å; R199-L217 WeakPolarHBondContact O-CB 3.45Å; R199-L217 PolarHBondContact O-N 2.95Å; G215-L217 VanDerWaalsContact C-N 3.28Å; G215-L217 PolarHBondContact O-N 3.12Å; L217-H219 PolarHBondContact O-N 3.48Å; L217-M220 HydrophobicContact CD1-CE 3.42Å; L217-M220 VanDerWaalsContact CD1-CE 3.42Å; L217-M220 PolarHBondContact O-N 2.84Å; L217-I221 HydrophobicContact CD1-CG1 4.49Å; L217-I221 WeakPolarHBondContact O-CG1 3.46Å; L217-I221 PolarHBondContact O-N 2.88Å; L217-I221 VanDerWaalsContact O-N 3.12Å; L217-T263 HydrophobicContact CD2-CG2 3.99Å; L217-T263 HydrophobicContact CG-CG2 3.91Å; L217-L265 HydrophobicContact CD1-CD2 4.22Å; L217-L265 HydrophobicContact CD2-CD2 3.99Å; L217-L265 HydrophobicContact CD2-CG 4.01Å; L217-Y281 HydrophobicContact CD1-CD1 4.14Å; L217-Y281 HydrophobicContact CD1-CE1 3.94Å; L217-P500 HydrophobicContact CD1-CG 4.18Å
218	G	94.3	Very high	93.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.3	-48.5	174.5	0	0	0	0	0	112.8	R199 M213 G215 M220 I221 N222	R199-G218 PolarHBondContact O-N 3.08Å; M213-G218 WeakPolarHBondContact CE-O 3.49Å; G215-G218 CarbonylContact O-C 3.55Å; G215-G218 WeakPolarHBondContact O-CA 3.38Å; G215-G218 PolarHBondContact O-N 2.81Å; G218-M220 VanDerWaalsContact C-N 3.35Å; G218-M220 PolarHBondContact O-N 3.1Å; G218-I221 PolarHBondContact O-N 3.32Å; G218-N222 WeakPolarHBondContact O-CB 3.49Å; G218-N222 PolarHBondContact O-N 2.98Å; G218-N222 PolarHBondContact O-ND2 3.22Å
219	H	95.2	Very high	93.6	Very high	40 Å²	40	36.2 Å²	36.2	19%	0.185	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-37.4	177.2	-71.2	-60.1	0	0	0	113.2	G215 L217 N222 T223 W528 E535	G215-H219 PolarHBondContact O-CD2 3.09Å; G215-H219 PolarHBondContact O-N 3.42Å; L217-H219 PolarHBondContact O-N 3.48Å; H219-N222 PolarHBondContact O-N 3.35Å; H219-T223 WeakPolarHBondContact O-CB 3.47Å; H219-T223 VanDerWaalsContact O-CG2 3.29Å; H219-T223 WeakPolarHBondContact O-CG2 3.3Å; H219-T223 PolarHBondContact O-N 3.24Å; H219-T223 PolarHBondContact O-OG1 2.83Å; H219-W528 HydrophobicContact CB-CD2 3.44Å; H219-W528 VanDerWaalsContact CB-CD2 3.44Å; H219-W528 VanDerWaalsContact CB-CE2 3.46Å; H219-W528 HydrophobicContact CB-CE3 3.79Å; H219-W528 HydrophobicContact CB-CG 3.84Å; H219-W528 HydrophobicContact CB-CH2 4.17Å; H219-W528 HydrophobicContact CB-CZ2 3.85Å; H219-W528 HydrophobicContact CB-CZ3 4.14Å; H219-W528 AromaticContact CD2-CD1 3.83Å; H219-W528 AromaticContact CD2-CG 3.95Å; H219-W528 AromaticContact CG-CD1 3.96Å; H219-W528 AromaticContact CG-NE1 4Å; H219-E535 IonicContact CD2-OE1 3.27Å; H219-E535 IonicContact CD2-OE2 2.87Å; H219-E535 IonicContact CE1-OE1 2.62Å; H219-E535 VanDerWaalsContact NE2-CD 3.34Å; H219-E535 IonicContact NE2-OE1 2.84Å; H219-E535 PolarHBondContact NE2-OE1 3.12Å; H219-E535 IonicContact NE2-OE2 3.97Å; H219-E535 PolarHBondContact NE2-OE2 2.91Å
220	M	95.1	Very high	94	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.3	-47.4	177.2	-174.8	-83	-75.2	0	0	111.6	L217 G218 T223 Y224 Y281 P500 F512 H515 M516 Q519 W528	L217-M220 HydrophobicContact CD1-CE 3.42Å; L217-M220 VanDerWaalsContact CD1-CE 3.42Å; L217-M220 PolarHBondContact O-N 2.84Å; G218-M220 VanDerWaalsContact C-N 3.35Å; G218-M220 PolarHBondContact O-N 3.1Å; M220-T223 PolarHBondContact O-OG1 3.31Å; M220-Y224 WeakPolarHBondContact O-CB 3.36Å; M220-Y224 PolarHBondContact O-N 2.69Å; M220-Y281 HydrophobicContact CE-CE2 4.38Å; M220-Y281 HydrophobicContact CG-CE2 4.01Å; M220-P500 HydrophobicContact CE-CG 4.12Å; M220-F512 HydrophobicContact CE-CE2 4Å; M220-F512 HydrophobicContact CE-CZ 3.54Å; M220-F512 HydrophobicContact SD-CE2 3.65Å; M220-F512 HydrophobicContact SD-CZ 3.84Å; M220-H515 PolarHBondContact O-NE2 3.42Å; M220-M516 HydrophobicContact CE-CG 3.85Å; M220-M516 HydrophobicContact CE-SD 3.93Å; M220-M516 HydrophobicContact CG-CG 4.45Å; M220-M516 HydrophobicContact SD-CG 3.77Å; M220-Q519 HydrophobicContact CG-CG 4.33Å; M220-W528 HydrophobicContact CB-CE3 4.49Å; M220-W528 HydrophobicContact CB-CZ3 3.81Å
221	I	95.7	Very high	94.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-70.9	-38.7	178.3	-58.4	-62.5	0	0	0	111.5	M213 L217 G218 Y224 A225 L232 I261 T263 F512	M213-I221 HydrophobicContact CE-CB 3.27Å; M213-I221 HydrophobicContact CE-CG1 4.06Å; M213-I221 HydrophobicContact CE-CG2 3.34Å; L217-I221 HydrophobicContact CD1-CG1 4.49Å; L217-I221 WeakPolarHBondContact O-CG1 3.46Å; L217-I221 PolarHBondContact O-N 2.88Å; L217-I221 VanDerWaalsContact O-N 3.12Å; G218-I221 PolarHBondContact O-N 3.32Å; I221-Y224 WeakPolarHBondContact O-CB 3.37Å; I221-Y224 PolarHBondContact O-N 3.18Å; I221-A225 PolarHBondContact O-N 2.93Å; I221-L232 HydrophobicContact CG2-CD1 4.01Å; I221-L232 HydrophobicContact CG2-CD2 3.85Å; I221-I261 HydrophobicContact CD1-CG2 3.78Å; I221-T263 HydrophobicContact CG1-CG2 4.1Å; I221-F512 HydrophobicContact CD1-CE2 3.47Å; I221-F512 VanDerWaalsContact CD1-CE2 3.47Å; I221-F512 HydrophobicContact CD1-CZ 3.53Å
222	N	95.3	Very high	94.5	Very high	34 Å²	34	34 Å²	34	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-47.7	176.5	-74.7	-21.9	0	0	0	111.4	M213 G218 H219 Y224 A225 Q226 L232	M213-N222 WeakPolarHBondContact CE-OD1 3.22Å; M213-N222 WeakPolarHBondContact CG-OD1 3.38Å; M213-N222 PolarHBondContact O-ND2 2.89Å; G218-N222 WeakPolarHBondContact O-CB 3.49Å; G218-N222 PolarHBondContact O-N 2.98Å; G218-N222 PolarHBondContact O-ND2 3.22Å; H219-N222 PolarHBondContact O-N 3.35Å; N222-Y224 VanDerWaalsContact C-N 3.27Å; N222-Y224 PolarHBondContact O-N 2.96Å; N222-A225 PolarHBondContact O-N 2.9Å; N222-Q226 VanDerWaalsContact O-CG 3.28Å; N222-Q226 WeakPolarHBondContact O-CG 3.48Å; N222-Q226 PolarHBondContact O-N 3.15Å; N222-L232 WeakPolarHBondContact OD1-CD1 3.44Å
223	T	96	Very high	94.6	Very high	35 Å²	35	35.1 Å²	35.1	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-66.7	-31.7	178.1	53.3	0	0	0	0	111.8	H219 M220 Q226 K227 H515 W528	H219-T223 WeakPolarHBondContact O-CB 3.47Å; H219-T223 VanDerWaalsContact O-CG2 3.29Å; H219-T223 WeakPolarHBondContact O-CG2 3.3Å; H219-T223 PolarHBondContact O-N 3.24Å; H219-T223 PolarHBondContact O-OG1 2.83Å; M220-T223 PolarHBondContact O-OG1 3.31Å; T223-Q226 PolarHBondContact O-N 2.85Å; T223-K227 WeakPolarHBondContact O-CB 3.23Å; T223-K227 PolarHBondContact O-N 3.37Å; T223-H515 PolarHBondContact OG1-NE2 3.35Å; T223-H515 VanDerWaalsContact OG1-NE2 3.11Å; T223-W528 HydrophobicContact CG2-CH2 4.1Å; T223-W528 HydrophobicContact CG2-CZ2 3.95Å
224	Y	96.1	Very high	94.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-50.1	172.5	-177.3	-116.6	0	0	0	112	I189 M220 I221 N222 Q226 K227 L228 I261 H508 L511 F512 H515	I189-Y224 HydrophobicContact CD1-CD1 4.43Å; I189-Y224 HydrophobicContact CD1-CE1 4.28Å; M220-Y224 WeakPolarHBondContact O-CB 3.36Å; M220-Y224 PolarHBondContact O-N 2.69Å; I221-Y224 WeakPolarHBondContact O-CB 3.37Å; I221-Y224 PolarHBondContact O-N 3.18Å; N222-Y224 VanDerWaalsContact C-N 3.27Å; N222-Y224 PolarHBondContact O-N 2.96Å; Y224-Q226 VanDerWaalsContact C-N 3.28Å; Y224-Q226 PolarHBondContact O-N 3.25Å; Y224-K227 WeakPolarHBondContact O-CB 3.5Å; Y224-K227 PolarHBondContact O-N 3.47Å; Y224-K227 VanDerWaalsContact O-N 3.17Å; Y224-L228 HydrophobicContact CD2-CD1 4.49Å; Y224-L228 HydrophobicContact CD2-CG 4.5Å; Y224-L228 HydrophobicContact CE1-CD1 3.79Å; Y224-L228 HydrophobicContact CE2-CD1 3.76Å; Y224-L228 HydrophobicContact CE2-CD2 4.46Å; Y224-L228 HydrophobicContact CE2-CG 4.11Å; Y224-L228 PolarHBondContact O-N 2.97Å; Y224-L228 VanDerWaalsContact O-N 3.13Å; Y224-L228 WeakPolarHBondContact OH-CD1 3.23Å; Y224-I261 HydrophobicContact CD1-CD1 4.33Å; Y224-I261 HydrophobicContact CE1-CD1 3.95Å; Y224-H508 AromaticContact CE1-CD2 3.89Å; Y224-H508 AromaticContact CZ-CD2 3.94Å; Y224-H508 PolarHBondContact OH-CD2 2.92Å; Y224-H508 PolarHBondContact OH-O 2.86Å; Y224-L511 HydrophobicContact CE2-CB 4.23Å; Y224-L511 WeakPolarHBondContact CE2-O 3.46Å; Y224-F512 AromaticContact CD1-CD2 3.59Å; Y224-F512 HydrophobicContact CD1-CD2 3.59Å; Y224-F512 HydrophobicContact CD1-CE2 4.12Å; Y224-F512 HydrophobicContact CD2-CD2 4.04Å; Y224-F512 HydrophobicContact CE1-CB 4.14Å; Y224-F512 AromaticContact CE1-CD2 3.59Å; Y224-F512 HydrophobicContact CE1-CD2 3.59Å; Y224-F512 HydrophobicContact CE1-CE2 4.48Å; Y224-F512 HydrophobicContact CE1-CG 4.3Å; Y224-F512 VanDerWaalsContact CE2-CA 3.44Å; Y224-F512 HydrophobicContact CE2-CB 4.04Å; Y224-F512 HydrophobicContact CE2-CD2 4.05Å; Y224-F512 AromaticContact CG-CD2 3.8Å; Y224-F512 HydrophobicContact CG-CD2 3.8Å; Y224-F512 HydrophobicContact CG-CE2 4.28Å; Y224-F512 AromaticContact CZ-CD2 3.79Å; Y224-F512 WeakPolarHBondContact OH-CA 3.4Å; Y224-F512 WeakPolarHBondContact OH-CB 3.47Å; Y224-F512 PolarHBondContact OH-N 3.38Å; Y224-F512 VanDerWaalsContact OH-N 3.14Å; Y224-H515 HydrophobicContact CD2-CB 3.66Å; Y224-H515 AromaticContact CD2-CD2 3.85Å; Y224-H515 AromaticContact CD2-CG 3.69Å; Y224-H515 HydrophobicContact CE2-CB 4.09Å; Y224-H515 PolarHBondContact N-NE2 2.84Å
225	A	96.2	Very high	94.5	Very high	4 Å²	4	37 Å²	37	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-39.8	176.6	0	0	0	0	0	111.8	I221 N222 L228 N229 A230 L232	I221-A225 PolarHBondContact O-N 2.93Å; N222-A225 PolarHBondContact O-N 2.9Å; A225-L228 PolarHBondContact O-N 3.13Å; A225-N229 PolarHBondContact O-N 3.43Å; A225-N229 VanDerWaalsContact O-N 3.15Å; A225-A230 PolarHBondContact O-N 2.77Å; A225-L232 HydrophobicContact CB-CD1 4.26Å; A225-L232 HydrophobicContact CB-CD2 3.75Å; A225-L232 HydrophobicContact CB-CG 3.73Å
226	Q	95	Very high	94.2	Very high	148 Å²	148	40.6 Å²	40.6	69%	0.692	20%	0.199	S	C	*	.	H	α-helix	trans	-63.2	-44.2	174.3	-72.5	171.6	-0.5	0	0	112.4	N222 T223 Y224 L228 N229	N222-Q226 VanDerWaalsContact O-CG 3.28Å; N222-Q226 WeakPolarHBondContact O-CG 3.48Å; N222-Q226 PolarHBondContact O-N 3.15Å; T223-Q226 PolarHBondContact O-N 2.85Å; Y224-Q226 VanDerWaalsContact C-N 3.28Å; Y224-Q226 PolarHBondContact O-N 3.25Å; Q226-L228 VanDerWaalsContact C-N 3.27Å; Q226-L228 PolarHBondContact O-N 2.95Å; Q226-N229 PolarHBondContact O-N 3.34Å; Q226-N229 VanDerWaalsContact O-N 3.13Å
227	K	95.2	Very high	93.8	Very high	92 Å²	92	41.2 Å²	41.2	40%	0.4	20%	0.204	S	C	.	.	H	α-helix	trans	-58.5	-38.4	178.3	-178.6	-177.8	175.9	-172	0	112	T223 Y224 D514	T223-K227 WeakPolarHBondContact O-CB 3.23Å; T223-K227 PolarHBondContact O-N 3.37Å; Y224-K227 WeakPolarHBondContact O-CB 3.5Å; Y224-K227 PolarHBondContact O-N 3.47Å; Y224-K227 VanDerWaalsContact O-N 3.17Å; K227-D514 IonicContact NZ-OD2 2.64Å; K227-D514 PolarHBondContact NZ-OD2 3.34Å
228	L	95	Very high	93.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	2.1	-179.6	-55.8	-169.7	0	0	0	113.9	F181 N183 M184 Y224 A225 Q226 A230 L511	F181-L228 WeakPolarHBondContact O-CD2 3.35Å; N183-L228 WeakPolarHBondContact CA-O 3.42Å; M184-L228 HydrophobicContact CG-CB 4.24Å; M184-L228 PolarHBondContact N-O 3.41Å; M184-L228 HydrophobicContact SD-CB 4.12Å; M184-L228 HydrophobicContact SD-CD1 3.99Å; Y224-L228 HydrophobicContact CD2-CD1 4.49Å; Y224-L228 HydrophobicContact CD2-CG 4.5Å; Y224-L228 HydrophobicContact CE1-CD1 3.79Å; Y224-L228 HydrophobicContact CE2-CD1 3.76Å; Y224-L228 HydrophobicContact CE2-CD2 4.46Å; Y224-L228 HydrophobicContact CE2-CG 4.11Å; Y224-L228 PolarHBondContact O-N 2.97Å; Y224-L228 VanDerWaalsContact O-N 3.13Å; Y224-L228 WeakPolarHBondContact OH-CD1 3.23Å; A225-L228 PolarHBondContact O-N 3.13Å; Q226-L228 VanDerWaalsContact C-N 3.27Å; Q226-L228 PolarHBondContact O-N 2.95Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 HydrophobicContact CB-CB 4.36Å; L228-A230 PolarHBondContact O-N 2.96Å; L228-L511 HydrophobicContact CD2-CD1 4.07Å
229	N	95.4	Very high	92.5	Very high	84 Å²	84	52.8 Å²	52.8	45%	0.449	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	47.1	-171.3	-172.1	32.3	0	0	0	112.1	N183 R185 A186 A225 Q226	N183-N229 WeakPolarHBondContact OD1-CB 3.36Å; N183-N229 PolarHBondContact OD1-ND2 3.24Å; R185-N229 PolarHBondContact N-O 3.13Å; A186-N229 WeakPolarHBondContact CA-O 3.28Å; A186-N229 PolarHBondContact N-O 3.25Å; A225-N229 PolarHBondContact O-N 3.43Å; A225-N229 VanDerWaalsContact O-N 3.15Å; Q226-N229 PolarHBondContact O-N 3.34Å; Q226-N229 VanDerWaalsContact O-N 3.13Å
230	A	95.3	Very high	91.8	Very high	17 Å²	17	53.9 Å²	53.9	14%	0.14	27%	0.27	C	S	.	.			trans	-111	157.9	-178.7	0	0	0	0	0	111.7	M184 A187 I189 A225 L228	M184-A230 HydrophobicContact CB-CB 4Å; M184-A230 HydrophobicContact CE-CB 4.35Å; M184-A230 HydrophobicContact CG-CB 4.35Å; M184-A230 HydrophobicContact SD-CB 3.68Å; A187-A230 WeakPolarHBondContact O-CA 3.4Å; I189-A230 HydrophobicContact CD1-CB 3.74Å; I189-A230 HydrophobicContact CG1-CB 4.12Å; A225-A230 PolarHBondContact O-N 2.77Å; L228-A230 VanDerWaalsContact C-N 3.28Å; L228-A230 HydrophobicContact CB-CB 4.36Å; L228-A230 PolarHBondContact O-N 2.96Å
231	K	94.3	Very high	91	Very high	103 Å²	103	57.5 Å²	57.5	45%	0.448	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.2	173.6	-170.8	170.9	-175.2	168.3	0	110.4	A187 T188 I189 E210	A187-K231 PolarHBondContact O-N 3.29Å; T188-K231 CarbonylContact C-O 3.59Å; T188-K231 VanDerWaalsContact CA-O 3.25Å; T188-K231 WeakPolarHBondContact CA-O 3.29Å; I189-K231 PolarHBondContact N-O 3.43Å; E210-K231 IonicContact OE1-NZ 2.83Å; E210-K231 PolarHBondContact OE1-NZ 3.16Å
232	L	94.4	Very high	90	Very high	26 Å²	26	58.2 Å²	58.2	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130	172	-64.7	177	0	0	0	110.2	I189 M213 I221 N222 A225 F234	I189-L232 HydrophobicContact CB-CD2 4.2Å; I189-L232 HydrophobicContact CG2-CD2 4.44Å; M213-L232 HydrophobicContact CE-CD1 3.87Å; I221-L232 HydrophobicContact CG2-CD1 4.01Å; I221-L232 HydrophobicContact CG2-CD2 3.85Å; N222-L232 WeakPolarHBondContact OD1-CD1 3.44Å; A225-L232 HydrophobicContact CB-CD1 4.26Å; A225-L232 HydrophobicContact CB-CD2 3.75Å; A225-L232 HydrophobicContact CB-CG 3.73Å; L232-F234 HydrophobicContact CB-CE2 4.27Å; L232-F234 HydrophobicContact CB-CZ 4.39Å; L232-F234 HydrophobicContact CD1-CZ 4.45Å
233	H	94.3	Very high	88.9	Confident	99 Å²	99	66 Å²	66	46%	0.458	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	108.3	173.1	178.9	-96	0	0	0	109.6	T188 I189 R190 T191 I235	T188-H233 HydrophobicContact CG2-CB 4.42Å; I189-H233 PolarHBondContact O-N 3.14Å; R190-H233 WeakPolarHBondContact CA-O 3.39Å; T191-H233 PolarHBondContact N-O 3.03Å; H233-I235 PolarHBondContact O-N 3.2Å
234	F	92.2	Very high	88	Confident	44 Å²	44	70.4 Å²	70.4	19%	0.193	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	116.6	177.2	-62.8	-80.9	0	0	0	110	T191 L202 T211 M213 L232	T191-F234 HydrophobicContact CG2-CD1 3.77Å; T191-F234 HydrophobicContact CG2-CE1 3.81Å; T191-F234 HydrophobicContact CG2-CG 4.47Å; T191-F234 WeakPolarHBondContact O-CA 3.43Å; L202-F234 HydrophobicContact CD2-CD1 3.89Å; L202-F234 HydrophobicContact CD2-CE1 3.62Å; L202-F234 HydrophobicContact CD2-CZ 4.36Å; T211-F234 HydrophobicContact CG2-CD2 3.98Å; T211-F234 HydrophobicContact CG2-CE2 4.3Å; T211-F234 HydrophobicContact CG2-CG 4.19Å; T211-F234 VanDerWaalsContact O-CE2 3.23Å; T211-F234 WeakPolarHBondContact O-CE2 3.48Å; M213-F234 HydrophobicContact CB-CE1 4.38Å; M213-F234 HydrophobicContact CB-CZ 4.27Å; M213-F234 HydrophobicContact CG-CE1 4.34Å; M213-F234 HydrophobicContact CG-CZ 4.1Å; M213-F234 HydrophobicContact SD-CE1 3.66Å; M213-F234 HydrophobicContact SD-CZ 3.92Å; L232-F234 HydrophobicContact CB-CE2 4.27Å; L232-F234 HydrophobicContact CB-CZ 4.39Å; L232-F234 HydrophobicContact CD1-CZ 4.45Å
235	I	90.6	Very high	87.3	Confident	34 Å²	34	70.9 Å²	70.9	17%	0.174	37%	0.365	C	S	.	.			trans	-72.8	137.1	178.3	-50.3	-177	0	0	0	109.7	R190 T191 V192 H233 T237 L240 I258 V259	R190-I235 HydrophobicContact CB-CD1 4.09Å; R190-I235 HydrophobicContact CB-CG1 4.34Å; T191-I235 PolarHBondContact O-N 3.45Å; V192-I235 HydrophobicContact CG2-CB 3.66Å; V192-I235 HydrophobicContact CG2-CD1 4.17Å; V192-I235 HydrophobicContact CG2-CG1 4.07Å; H233-I235 PolarHBondContact O-N 3.2Å; I235-T237 PolarHBondContact O-N 3.41Å; I235-T237 VanDerWaalsContact O-N 3.15Å; I235-L240 HydrophobicContact CG2-CD1 4.04Å; I235-I258 HydrophobicContact CD1-CG2 3.98Å; I235-I258 WeakPolarHBondContact CD1-O 3.34Å; I235-V259 HydrophobicContact CD1-CB 4.45Å; I235-V259 HydrophobicContact CD1-CG2 3.61Å
236	D	85.6	Confident	86.7	Confident	75 Å²	75	72.4 Å²	72.4	40%	0.401	38%	0.376	S	S	.	.			trans	-74.7	99.4	174.5	-176.5	-0.6	0	0	0	110.7	S238 K239	D236-S238 VanDerWaalsContact CG-OG 3.31Å; D236-S238 PolarHBondContact O-N 3.38Å; D236-S238 WeakPolarHBondContact OD1-CB 3.43Å; D236-S238 PolarHBondContact OD1-N 3.06Å; D236-S238 VanDerWaalsContact OD1-N 3.13Å; D236-S238 PolarHBondContact OD1-OG 3.26Å; D236-S238 PolarHBondContact OD2-OG 3.36Å; D236-K239 HydrophobicContact CB-CD 4.24Å; D236-K239 HydrophobicContact CB-CG 4.44Å; D236-K239 PolarHBondContact O-N 3.07Å; D236-K239 VanDerWaalsContact OD2-CE 3.26Å; D236-K239 WeakPolarHBondContact OD2-CE 3.48Å; D236-K239 IonicContact OD2-NZ 3.97Å
237	T	84.4	Confident	86.4	Confident	23 Å²	23	66.1 Å²	66.1	14%	0.141	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-67.2	-21.1	-177.7	65.1	0	0	0	0	113	V192 I235 K239 L240 G241 A242 P245 W253	V192-T237 HydrophobicContact CG1-CG2 3.58Å; V192-T237 HydrophobicContact CG2-CG2 4.3Å; I235-T237 PolarHBondContact O-N 3.41Å; I235-T237 VanDerWaalsContact O-N 3.15Å; T237-K239 VanDerWaalsContact C-N 3.25Å; T237-K239 PolarHBondContact O-N 3.31Å; T237-L240 CarbonylContact O-C 3.56Å; T237-L240 WeakPolarHBondContact O-CA 3.49Å; T237-L240 PolarHBondContact O-N 2.93Å; T237-G241 PolarHBondContact O-N 3.33Å; T237-A242 CarbonylContact C-O 3.58Å; T237-A242 VanDerWaalsContact CB-O 3.29Å; T237-A242 WeakPolarHBondContact CB-O 3.43Å; T237-A242 PolarHBondContact O-N 3.45Å; T237-A242 PolarHBondContact OG1-O 3.38Å; T237-P245 HydrophobicContact CG2-CB 4.36Å; T237-P245 HydrophobicContact CG2-CG 4.09Å; T237-W253 HydrophobicContact CG2-CH2 4.14Å; T237-W253 HydrophobicContact CG2-CZ3 3.97Å
238	S	80.8	Confident	86	Confident	71 Å²	71	65.5 Å²	65.5	50%	0.497	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-64.2	-33.9	178.9	73.7	0	0	0	0	111.8	D236 L240 G241	D236-S238 VanDerWaalsContact CG-OG 3.31Å; D236-S238 PolarHBondContact O-N 3.38Å; D236-S238 WeakPolarHBondContact OD1-CB 3.43Å; D236-S238 PolarHBondContact OD1-N 3.06Å; D236-S238 VanDerWaalsContact OD1-N 3.13Å; D236-S238 PolarHBondContact OD1-OG 3.26Å; D236-S238 PolarHBondContact OD2-OG 3.36Å; S238-L240 VanDerWaalsContact C-N 3.25Å; S238-L240 PolarHBondContact O-N 2.92Å; S238-G241 PolarHBondContact O-N 3.44Å
239	K	81.1	Confident	85.7	Confident	173 Å²	173	67.8 Å²	67.8	75%	0.752	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-70.8	-22.1	174.4	-65.5	178.7	-177.7	173.1	0	113	D236 T237 G241	D236-K239 HydrophobicContact CB-CD 4.24Å; D236-K239 HydrophobicContact CB-CG 4.44Å; D236-K239 PolarHBondContact O-N 3.07Å; D236-K239 VanDerWaalsContact OD2-CE 3.26Å; D236-K239 WeakPolarHBondContact OD2-CE 3.48Å; D236-K239 IonicContact OD2-NZ 3.97Å; T237-K239 VanDerWaalsContact C-N 3.25Å; T237-K239 PolarHBondContact O-N 3.31Å; K239-G241 VanDerWaalsContact C-N 3.3Å
240	L	80.9	Confident	85.5	Confident	63 Å²	63	63.8 Å²	63.8	33%	0.33	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-90.7	6.9	176.6	-58.4	176.1	0	0	0	112.4	I235 T237 S238 W253 I258	I235-L240 HydrophobicContact CG2-CD1 4.04Å; T237-L240 CarbonylContact O-C 3.56Å; T237-L240 WeakPolarHBondContact O-CA 3.49Å; T237-L240 PolarHBondContact O-N 2.93Å; S238-L240 VanDerWaalsContact C-N 3.25Å; S238-L240 PolarHBondContact O-N 2.92Å; L240-W253 HydrophobicContact CB-CH2 4.41Å; L240-W253 HydrophobicContact CB-CZ2 3.64Å; L240-W253 HydrophobicContact CD1-CD2 3.86Å; L240-W253 HydrophobicContact CD1-CE3 4.26Å; L240-W253 HydrophobicContact CD1-CG 4.26Å; L240-W253 HydrophobicContact CD1-CH2 4.41Å; L240-W253 HydrophobicContact CD1-CZ2 4.01Å; L240-W253 HydrophobicContact CG-CZ2 4.49Å; L240-I258 HydrophobicContact CD1-CG2 4.4Å
241	G	77	Confident	85.2	Confident	75 Å²	75	63.3 Å²	63.3	77%	0.773	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	5	176.5	0	0	0	0	0	115.2	T237 S238 K239	T237-G241 PolarHBondContact O-N 3.33Å; S238-G241 PolarHBondContact O-N 3.44Å; K239-G241 VanDerWaalsContact C-N 3.3Å
242	A	75.6	Confident	85	Confident	16 Å²	16	61.8 Å²	61.8	13%	0.132	33%	0.33	C	S	.	.			trans	-123	114.7	-177.1	0	0	0	0	0	112.2	T237 W253	T237-A242 CarbonylContact C-O 3.58Å; T237-A242 VanDerWaalsContact CB-O 3.29Å; T237-A242 WeakPolarHBondContact CB-O 3.43Å; T237-A242 PolarHBondContact O-N 3.45Å; T237-A242 PolarHBondContact OG1-O 3.38Å; A242-W253 HydrophobicContact CB-CH2 3.78Å; A242-W253 HydrophobicContact CB-CZ2 3.96Å
243	K	71.4	Confident	84.9	Confident	198 Å²	198	61.5 Å²	61.5	86%	0.861	33%	0.327	S	S	*	.	S	Bend	trans	-74.4	-35.1	176.4	-70.4	-175.5	179.8	178.8	0	113.1
244	K	77.1	Confident	84.8	Confident	128 Å²	128	56.8 Å²	56.8	56%	0.557	31%	0.306	S	S	*	.	S	Bend	trans	-130.9	98.9	175.5	-69.5	-173.5	-175.5	179.9	0	108	S246 S447	K244-S246 PolarHBondContact O-N 2.59Å; K244-S447 WeakPolarHBondContact CD-OG 3.49Å; K244-S447 PolarHBondContact NZ-OG 2.95Å
245	P	81.5	Confident	84.7	Confident	11 Å²	11	58.8 Å²	58.8	7%	0.071	32%	0.318	C	S	.	.			trans	-67.5	128.1	-176.5	30.3	-37.5	0	0	0	110.4	V192 A193 T237 I250 W253	V192-P245 HydrophobicContact CG1-CB 4.37Å; V192-P245 HydrophobicContact CG1-CG 4.15Å; A193-P245 VanDerWaalsContact O-CG 3.24Å; A193-P245 WeakPolarHBondContact O-CG 3.48Å; T237-P245 HydrophobicContact CG2-CB 4.36Å; T237-P245 HydrophobicContact CG2-CG 4.09Å; P245-I250 HydrophobicContact CB-CD1 4.29Å; P245-I250 HydrophobicContact CB-CG1 4.09Å; P245-W253 HydrophobicContact CB-CH2 3.88Å; P245-W253 HydrophobicContact CB-CZ3 3.69Å
246	S	84.8	Confident	84.7	Confident	37 Å²	37	63 Å²	63	26%	0.259	34%	0.337	S	S	.	.			trans	-79.2	166.1	166.4	73.7	0	0	0	0	110.3	K244 L248 D249 I250	K244-S246 PolarHBondContact O-N 2.59Å; S246-L248 PolarHBondContact O-N 2.93Å; S246-L248 PolarHBondContact OG-N 3.34Å; S246-D249 VanDerWaalsContact CB-OD2 3.32Å; S246-D249 WeakPolarHBondContact CB-OD2 3.12Å; S246-D249 PolarHBondContact N-OD2 2.77Å; S246-D249 PolarHBondContact O-N 3.07Å; S246-D249 PolarHBondContact OG-N 3.27Å; S246-D249 PolarHBondContact OG-OD2 3.33Å; S246-I250 WeakPolarHBondContact O-CG1 3.43Å; S246-I250 PolarHBondContact O-N 3.37Å; S246-I250 VanDerWaalsContact O-N 3.15Å
247	V	87.8	Confident	84.9	Confident	16 Å²	16	62.4 Å²	62.4	10%	0.097	33%	0.334	C	S	.	.	H	α-helix	trans	-59.2	-32.2	173.5	-177.4	0	0	0	0	111.3	I250 M251 A264 A266 F271	V247-I250 PolarHBondContact O-N 2.9Å; V247-M251 WeakPolarHBondContact O-CB 3.47Å; V247-M251 WeakPolarHBondContact O-CG 3.17Å; V247-M251 PolarHBondContact O-N 2.85Å; V247-A264 HydrophobicContact CG2-CB 4.43Å; V247-A266 HydrophobicContact CG1-CB 4.23Å; V247-F271 HydrophobicContact CG1-CE2 3.96Å; V247-F271 HydrophobicContact CG1-CZ 4.44Å
248	L	86.1	Confident	85.3	Confident	79 Å²	79	63.6 Å²	63.6	41%	0.414	34%	0.339	S	S	.	.	H	α-helix	trans	-66.9	-42.8	177.6	-176.7	63.4	0	0	0	111.7	S246 I250 M251 N252 F271	S246-L248 PolarHBondContact O-N 2.93Å; S246-L248 PolarHBondContact OG-N 3.34Å; L248-I250 VanDerWaalsContact C-N 3.33Å; L248-I250 PolarHBondContact O-N 3.3Å; L248-M251 PolarHBondContact O-N 2.96Å; L248-N252 VanDerWaalsContact O-CG 3.3Å; L248-N252 PolarHBondContact O-N 3.11Å; L248-N252 PolarHBondContact O-ND2 3.05Å; L248-F271 HydrophobicContact CB-CZ 4.48Å; L248-F271 HydrophobicContact CD1-CE1 3.72Å; L248-F271 HydrophobicContact CD1-CZ 3.96Å
249	D	89.3	Confident	85.9	Confident	52 Å²	52	60.2 Å²	60.2	28%	0.278	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-43.8	177.2	-54.5	-49.2	0	0	0	110.8	S246 M251 N252 W253	S246-D249 VanDerWaalsContact CB-OD2 3.32Å; S246-D249 WeakPolarHBondContact CB-OD2 3.12Å; S246-D249 PolarHBondContact N-OD2 2.77Å; S246-D249 PolarHBondContact O-N 3.07Å; S246-D249 PolarHBondContact OG-N 3.27Å; S246-D249 PolarHBondContact OG-OD2 3.33Å; D249-M251 PolarHBondContact O-N 3.11Å; D249-N252 PolarHBondContact O-N 3.39Å; D249-W253 HydrophobicContact CB-CH2 3.91Å; D249-W253 HydrophobicContact CB-CZ2 4.08Å; D249-W253 HydrophobicContact CB-CZ3 4.15Å; D249-W253 VanDerWaalsContact O-CD2 3.28Å; D249-W253 PolarHBondContact O-N 2.7Å
250	I	90.8	Very high	86.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-43	177.6	-63.5	169.8	0	0	0	110.8	V192 D194 P245 S246 V247 L248 N252 W253 V254 A264 P501	V192-I250 HydrophobicContact CB-CG1 4.46Å; V192-I250 HydrophobicContact CG1-CD1 4.09Å; V192-I250 HydrophobicContact CG1-CG1 3.9Å; D194-I250 HydrophobicContact CB-CD1 3.86Å; P245-I250 HydrophobicContact CB-CD1 4.29Å; P245-I250 HydrophobicContact CB-CG1 4.09Å; S246-I250 WeakPolarHBondContact O-CG1 3.43Å; S246-I250 PolarHBondContact O-N 3.37Å; S246-I250 VanDerWaalsContact O-N 3.15Å; V247-I250 PolarHBondContact O-N 2.9Å; L248-I250 VanDerWaalsContact C-N 3.33Å; L248-I250 PolarHBondContact O-N 3.3Å; I250-N252 VanDerWaalsContact C-N 3.31Å; I250-N252 PolarHBondContact O-N 2.86Å; I250-W253 HydrophobicContact CG1-CE3 4.29Å; I250-W253 HydrophobicContact CG1-CZ3 4.21Å; I250-W253 PolarHBondContact O-N 3.44Å; I250-V254 HydrophobicContact CG2-CG2 4.41Å; I250-V254 WeakPolarHBondContact O-CB 3.22Å; I250-V254 VanDerWaalsContact O-CG2 3.27Å; I250-V254 WeakPolarHBondContact O-CG2 3.32Å; I250-V254 PolarHBondContact O-N 2.94Å; I250-A264 HydrophobicContact CD1-CB 3.68Å; I250-A264 HydrophobicContact CG2-CB 4.37Å; I250-P501 HydrophobicContact CG2-CB 4.4Å; I250-P501 HydrophobicContact CG2-CG 4.28Å
251	M	89.5	Confident	87.2	Confident	7 Å²	7	49.8 Å²	49.8	3%	0.034	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-41.2	175	-81.3	-67.6	-62	0	0	112.1	V247 L248 D249 V254 N255 A266 F271 V277 P501	V247-M251 WeakPolarHBondContact O-CB 3.47Å; V247-M251 WeakPolarHBondContact O-CG 3.17Å; V247-M251 PolarHBondContact O-N 2.85Å; L248-M251 PolarHBondContact O-N 2.96Å; D249-M251 PolarHBondContact O-N 3.11Å; M251-V254 PolarHBondContact O-N 3.21Å; M251-N255 PolarHBondContact O-N 3.46Å; M251-N255 PolarHBondContact O-ND2 3.47Å; M251-A266 HydrophobicContact CG-CB 4.48Å; M251-A266 HydrophobicContact SD-CB 4.12Å; M251-F271 HydrophobicContact CB-CE1 4.03Å; M251-F271 HydrophobicContact CB-CZ 4.21Å; M251-F271 HydrophobicContact CE-CD1 4.01Å; M251-F271 HydrophobicContact CE-CE1 4.42Å; M251-F271 HydrophobicContact CE-CG 4.29Å; M251-F271 HydrophobicContact CG-CD1 4.26Å; M251-F271 HydrophobicContact CG-CE1 3.81Å; M251-F271 HydrophobicContact CG-CE2 4.1Å; M251-F271 HydrophobicContact CG-CZ 3.73Å; M251-V277 HydrophobicContact CE-CG2 3.62Å; M251-V277 HydrophobicContact SD-CG2 3.67Å; M251-P501 HydrophobicContact CG-CB 4.37Å; M251-P501 HydrophobicContact CG-CG 4.03Å; M251-P501 HydrophobicContact SD-CB 3.48Å; M251-P501 WeakPolarHBondContact SD-CB 3.17Å; M251-P501 HydrophobicContact SD-CG 3.53Å; M251-P501 VanDerWaalsContact SD-CG 3.53Å
252	N	90.2	Very high	87.9	Confident	70 Å²	70	46.2 Å²	46.2	37%	0.374	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-47	177.1	-68.4	-20.3	0	0	0	111.5	L248 D249 I250 V254 N255 E256	L248-N252 VanDerWaalsContact O-CG 3.3Å; L248-N252 PolarHBondContact O-N 3.11Å; L248-N252 PolarHBondContact O-ND2 3.05Å; D249-N252 PolarHBondContact O-N 3.39Å; I250-N252 VanDerWaalsContact C-N 3.31Å; I250-N252 PolarHBondContact O-N 2.86Å; N252-V254 VanDerWaalsContact C-N 3.26Å; N252-V254 PolarHBondContact O-N 3.35Å; N252-N255 WeakPolarHBondContact O-CB 3.34Å; N252-N255 PolarHBondContact O-N 3.45Å; N252-N255 VanDerWaalsContact O-N 3.09Å; N252-E256 WeakPolarHBondContact O-CG 3.49Å; N252-E256 PolarHBondContact O-N 2.94Å
253	W	92.5	Very high	88.8	Confident	21 Å²	21	45.5 Å²	45.5	8%	0.08	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-27.6	177.8	-60.5	-33.6	0	0	0	114	V192 T237 L240 A242 P245 D249 I250 D257 I258 V259	V192-W253 HydrophobicContact CG1-CE3 4.36Å; V192-W253 HydrophobicContact CG1-CZ3 3.99Å; T237-W253 HydrophobicContact CG2-CH2 4.14Å; T237-W253 HydrophobicContact CG2-CZ3 3.97Å; L240-W253 HydrophobicContact CB-CH2 4.41Å; L240-W253 HydrophobicContact CB-CZ2 3.64Å; L240-W253 HydrophobicContact CD1-CD2 3.86Å; L240-W253 HydrophobicContact CD1-CE3 4.26Å; L240-W253 HydrophobicContact CD1-CG 4.26Å; L240-W253 HydrophobicContact CD1-CH2 4.41Å; L240-W253 HydrophobicContact CD1-CZ2 4.01Å; L240-W253 HydrophobicContact CG-CZ2 4.49Å; A242-W253 HydrophobicContact CB-CH2 3.78Å; A242-W253 HydrophobicContact CB-CZ2 3.96Å; P245-W253 HydrophobicContact CB-CH2 3.88Å; P245-W253 HydrophobicContact CB-CZ3 3.69Å; D249-W253 HydrophobicContact CB-CH2 3.91Å; D249-W253 HydrophobicContact CB-CZ2 4.08Å; D249-W253 HydrophobicContact CB-CZ3 4.15Å; D249-W253 VanDerWaalsContact O-CD2 3.28Å; D249-W253 PolarHBondContact O-N 2.7Å; I250-W253 HydrophobicContact CG1-CE3 4.29Å; I250-W253 HydrophobicContact CG1-CZ3 4.21Å; I250-W253 PolarHBondContact O-N 3.44Å; W253-D257 PolarHBondContact O-N 2.81Å; W253-I258 HydrophobicContact CB-CB 4.29Å; W253-I258 WeakPolarHBondContact O-CB 3.42Å; W253-I258 PolarHBondContact O-N 3.03Å; W253-V259 HydrophobicContact CB-CG2 3.84Å; W253-V259 PolarHBondContact O-N 3.26Å
254	V	91.9	Very high	89.8	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.2	-40.6	171.4	163.6	0	0	0	0	111.2	I250 M251 N252 E256 D257 V259 P501 L502	I250-V254 HydrophobicContact CG2-CG2 4.41Å; I250-V254 WeakPolarHBondContact O-CB 3.22Å; I250-V254 VanDerWaalsContact O-CG2 3.27Å; I250-V254 WeakPolarHBondContact O-CG2 3.32Å; I250-V254 PolarHBondContact O-N 2.94Å; M251-V254 PolarHBondContact O-N 3.21Å; N252-V254 VanDerWaalsContact C-N 3.26Å; N252-V254 PolarHBondContact O-N 3.35Å; V254-E256 VanDerWaalsContact C-N 3.27Å; V254-E256 PolarHBondContact O-N 3.39Å; V254-D257 PolarHBondContact O-N 2.92Å; V254-V259 HydrophobicContact CG2-CB 3.77Å; V254-V259 HydrophobicContact CG2-CG1 3.77Å; V254-P501 HydrophobicContact CB-CB 4.36Å; V254-P501 HydrophobicContact CG1-CB 4.34Å; V254-P501 HydrophobicContact CG2-CB 3.89Å; V254-L502 WeakPolarHBondContact CG1-O 3.42Å
255	N	89.3	Confident	90.5	Very high	85 Å²	85	30 Å²	30	46%	0.455	16%	0.158	S	C	.	.	H	α-helix	trans	-69.1	-26.3	175.6	-67.1	-25.9	0	0	0	112.6	M251 N252 D257 S276	M251-N255 PolarHBondContact O-N 3.46Å; M251-N255 PolarHBondContact O-ND2 3.47Å; N252-N255 WeakPolarHBondContact O-CB 3.34Å; N252-N255 PolarHBondContact O-N 3.45Å; N252-N255 VanDerWaalsContact O-N 3.09Å; N255-D257 VanDerWaalsContact C-N 3.3Å; N255-S276 PolarHBondContact OD1-OG 2.96Å
256	E	91	Very high	90.9	Very high	122 Å²	122	29.5 Å²	29.5	57%	0.57	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	7.9	175.1	-68.3	173.3	-179.4	0	0	113.4	N252 V254 I258	N252-E256 WeakPolarHBondContact O-CG 3.49Å; N252-E256 PolarHBondContact O-N 2.94Å; V254-E256 VanDerWaalsContact C-N 3.27Å; V254-E256 PolarHBondContact O-N 3.39Å; E256-I258 HydrophobicContact CB-CD1 4Å; E256-I258 HydrophobicContact CB-CG1 4.01Å; E256-I258 PolarHBondContact O-N 3.11Å; E256-I258 VanDerWaalsContact OE2-CD1 3.31Å; E256-I258 WeakPolarHBondContact OE2-CD1 3.35Å
257	D	89.8	Confident	91.2	Very high	64 Å²	64	28.1 Å²	28.1	34%	0.342	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	17.2	-179.4	-62.5	-33.9	0	0	0	115.2	R190 W253 V254 N255 R503	R190-D257 VanDerWaalsContact CZ-O 3.31Å; R190-D257 PolarHBondContact NH1-O 2.97Å; R190-D257 PolarHBondContact NH2-O 2.85Å; W253-D257 PolarHBondContact O-N 2.81Å; V254-D257 PolarHBondContact O-N 2.92Å; N255-D257 VanDerWaalsContact C-N 3.3Å; D257-R503 HydrophobicContact CB-CG 4.29Å; D257-R503 WeakPolarHBondContact OD1-CD 3.44Å; D257-R503 WeakPolarHBondContact OD1-CG 3.48Å; D257-R503 IonicContact OD1-NE 3.52Å
258	I	92.8	Very high	91.2	Very high	48 Å²	48	29.6 Å²	29.6	25%	0.246	16%	0.156	C	C	.	.	S	Bend	trans	-75	-37.4	176.2	-59.1	174.1	0	0	0	110.1	R190 I235 L240 W253 E256	R190-I258 PolarHBondContact NH1-O 2.8Å; I235-I258 HydrophobicContact CD1-CG2 3.98Å; I235-I258 WeakPolarHBondContact CD1-O 3.34Å; L240-I258 HydrophobicContact CD1-CG2 4.4Å; W253-I258 HydrophobicContact CB-CB 4.29Å; W253-I258 WeakPolarHBondContact O-CB 3.42Å; W253-I258 PolarHBondContact O-N 3.03Å; E256-I258 HydrophobicContact CB-CD1 4Å; E256-I258 HydrophobicContact CB-CG1 4.01Å; E256-I258 PolarHBondContact O-N 3.11Å; E256-I258 VanDerWaalsContact OE2-CD1 3.31Å; E256-I258 WeakPolarHBondContact OE2-CD1 3.35Å
259	V	94.1	Very high	91.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.			trans	-112.3	133.5	-179.4	176.8	0	0	0	0	109.8	V192 I235 W253 V254	V192-V259 HydrophobicContact CB-CG2 4.29Å; V192-V259 HydrophobicContact CG2-CG2 3.67Å; I235-V259 HydrophobicContact CD1-CB 4.45Å; I235-V259 HydrophobicContact CD1-CG2 3.61Å; W253-V259 HydrophobicContact CB-CG2 3.84Å; W253-V259 PolarHBondContact O-N 3.26Å; V254-V259 HydrophobicContact CG2-CB 3.77Å; V254-V259 HydrophobicContact CG2-CG1 3.77Å
260	D	93.8	Very high	90.9	Very high	17 Å²	17	27.9 Å²	27.9	9%	0.091	15%	0.145	C	C	.	.	S	Bend	trans	-80.1	-51.4	176.4	-61.7	-43.4	0	0	0	111	I189 R190 R503 L506	I189-D260 HydrophobicContact CG2-CB 4.29Å; R190-D260 HydrophobicContact CB-CB 4.45Å; R190-D260 VanDerWaalsContact CB-OD2 3.24Å; R190-D260 WeakPolarHBondContact CB-OD2 3.39Å; R190-D260 WeakPolarHBondContact CG-OD2 3.42Å; R190-D260 IonicContact CZ-OD1 3.9Å; R190-D260 IonicContact CZ-OD2 3.28Å; R190-D260 PolarHBondContact N-OD2 3.29Å; R190-D260 IonicContact NE-OD1 3.01Å; R190-D260 PolarHBondContact NE-OD1 3.36Å; R190-D260 IonicContact NE-OD2 2.81Å; R190-D260 PolarHBondContact NE-OD2 3.17Å; R190-D260 IonicContact NH2-OD1 3.93Å; R190-D260 PolarHBondContact NH2-OD1 3.15Å; R190-D260 IonicContact NH2-OD2 2.69Å; R190-D260 WeakPolarHBondContact O-CB 3.48Å; R190-D260 PolarHBondContact O-N 3.46Å; D260-R503 WeakPolarHBondContact O-CB 3.38Å; D260-R503 PolarHBondContact O-N 3.49Å; D260-L506 HydrophobicContact CB-CD1 3.97Å
261	I	94.6	Very high	90.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	116	180	-56.2	179.9	0	0	0	108.7	I189 R190 T191 I221 Y224 T263 L502 L506 F512	I189-I261 HydrophobicContact CG2-CD1 4.03Å; I189-I261 HydrophobicContact CG2-CG1 4.22Å; R190-I261 PolarHBondContact O-N 2.97Å; T191-I261 WeakPolarHBondContact CA-O 3.4Å; T191-I261 VanDerWaalsContact CB-O 3.28Å; T191-I261 WeakPolarHBondContact CB-O 3.31Å; T191-I261 PolarHBondContact OG1-O 3.44Å; I221-I261 HydrophobicContact CD1-CG2 3.78Å; Y224-I261 HydrophobicContact CD1-CD1 4.33Å; Y224-I261 HydrophobicContact CE1-CD1 3.95Å; I261-T263 PolarHBondContact O-N 2.94Å; I261-L502 HydrophobicContact CB-CD2 4.18Å; I261-L502 HydrophobicContact CD1-CD2 4.43Å; I261-L502 HydrophobicContact CG1-CD2 3.83Å; I261-L502 HydrophobicContact CG2-CD2 3.81Å; I261-L506 HydrophobicContact CD1-CD2 4.08Å; I261-L506 HydrophobicContact CG1-CD2 3.85Å; I261-F512 HydrophobicContact CD1-CD2 4.04Å; I261-F512 HydrophobicContact CD1-CE2 4.22Å; I261-F512 HydrophobicContact CD1-CG 4.37Å; I261-F512 HydrophobicContact CG2-CE2 4.37Å; I261-F512 HydrophobicContact CG2-CZ 4.05Å
262	G	93.1	Very high	89.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.7	172.1	0	0	0	0	0	110.6	A264 P501	G262-A264 PolarHBondContact O-N 2.92Å; G262-P501 PolarHBondContact N-O 3.35Å
263	T	93.6	Very high	88.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	61.2	171.4	-53.9	0	0	0	0	109.5	T191 V192 A193 D194 T200 M213 L217 I221 I261	T191-T263 PolarHBondContact OG1-OG1 3.16Å; V192-T263 WeakPolarHBondContact O-CA 3.45Å; V192-T263 PolarHBondContact O-N 2.83Å; A193-T263 WeakPolarHBondContact CA-O 3.27Å; D194-T263 PolarHBondContact N-O 3.46Å; T200-T263 HydrophobicContact CG2-CG2 3.52Å; T200-T263 WeakPolarHBondContact OG1-CG2 3.47Å; T200-T263 PolarHBondContact OG1-O 2.69Å; M213-T263 HydrophobicContact CE-CG2 4.07Å; M213-T263 HydrophobicContact SD-CG2 3.89Å; L217-T263 HydrophobicContact CD2-CG2 3.99Å; L217-T263 HydrophobicContact CG-CG2 3.91Å; I221-T263 HydrophobicContact CG1-CG2 4.1Å; I261-T263 PolarHBondContact O-N 2.94Å
264	A	92.5	Very high	86.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-142.3	169.6	177.2	0	0	0	0	0	109.7	D194 V247 I250 G262 P500 P501	D194-A264 HydrophobicContact CB-CB 3.97Å; D194-A264 WeakPolarHBondContact OD2-CA 3.47Å; D194-A264 WeakPolarHBondContact OD2-CB 3.24Å; V247-A264 HydrophobicContact CG2-CB 4.43Å; I250-A264 HydrophobicContact CD1-CB 3.68Å; I250-A264 HydrophobicContact CG2-CB 4.37Å; G262-A264 PolarHBondContact O-N 2.92Å; A264-P500 WeakPolarHBondContact O-CA 3.28Å; A264-P501 VanDerWaalsContact O-CD 3.22Å; A264-P501 WeakPolarHBondContact O-CD 3.47Å
265	L	91.8	Very high	85.7	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	22%	0.223	C	C	.	.			trans	-118.5	114.1	172.1	-59.6	172.1	0	0	0	110.4	Y216 L217 Y281 L282 F498 P500	Y216-L265 HydrophobicContact CE2-CD1 4.04Å; L217-L265 HydrophobicContact CD1-CD2 4.22Å; L217-L265 HydrophobicContact CD2-CD2 3.99Å; L217-L265 HydrophobicContact CD2-CG 4.01Å; L265-Y281 HydrophobicContact CD2-CD1 3.89Å; L265-L282 HydrophobicContact CD1-CD1 3.91Å; L265-F498 HydrophobicContact CB-CB 3.93Å; L265-F498 HydrophobicContact CB-CD1 3.98Å; L265-F498 HydrophobicContact CB-CD2 4.43Å; L265-F498 HydrophobicContact CB-CG 3.89Å; L265-F498 HydrophobicContact CD1-CB 4.08Å; L265-F498 HydrophobicContact CD1-CD2 4.03Å; L265-F498 HydrophobicContact CD1-CG 4.17Å; L265-F498 HydrophobicContact CD2-CB 4.39Å; L265-F498 HydrophobicContact CG-CB 4.35Å; L265-P500 HydrophobicContact CD2-CG 4.24Å
266	A	90.6	Very high	84.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	130.5	170.5	0	0	0	0	0	109.8	V247 M251 F271 V277 F498 S499 P501	V247-A266 HydrophobicContact CG1-CB 4.23Å; M251-A266 HydrophobicContact CG-CB 4.48Å; M251-A266 HydrophobicContact SD-CB 4.12Å; A266-F271 HydrophobicContact CB-CD2 3.66Å; A266-F271 HydrophobicContact CB-CE2 4.06Å; A266-F271 HydrophobicContact CB-CG 4.45Å; A266-V277 HydrophobicContact CB-CG1 4.17Å; A266-V277 HydrophobicContact CB-CG2 4.05Å; A266-F498 WeakPolarHBondContact O-CA 3.2Å; A266-S499 PolarHBondContact N-O 3.23Å; A266-S499 PolarHBondContact O-N 2.75Å; A266-P501 HydrophobicContact CB-CG 4.27Å
267	S	89.5	Confident	83.7	Confident	7 Å²	7	35.3 Å²	35.3	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	136.9	176.5	178.9	0	0	0	0	111.1	L269 Q270 F271 M496 L497	S267-L269 PolarHBondContact O-N 3.22Å; S267-L269 VanDerWaalsContact O-N 3.13Å; S267-L269 WeakPolarHBondContact OG-CB 3.49Å; S267-L269 PolarHBondContact OG-N 3.27Å; S267-Q270 PolarHBondContact O-N 3.42Å; S267-F271 PolarHBondContact O-N 2.9Å; S267-M496 WeakPolarHBondContact OG-CE 3.43Å; S267-L497 WeakPolarHBondContact CA-O 3.47Å
268	S	88.7	Confident	82.7	Confident	48 Å²	48	37.2 Å²	37.2	34%	0.336	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.6	168	64.9	0	0	0	0	113.8	L497	S268-L497 PolarHBondContact N-O 3.04Å; S268-L497 PolarHBondContact OG-N 3.34Å
269	L	85.4	Confident	82.3	Confident	27 Å²	27	39.5 Å²	39.5	14%	0.141	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-31.7	170.7	-64.6	-180	0	0	0	112.6	S267 V423 L427 N493 M496	S267-L269 PolarHBondContact O-N 3.22Å; S267-L269 VanDerWaalsContact O-N 3.13Å; S267-L269 WeakPolarHBondContact OG-CB 3.49Å; S267-L269 PolarHBondContact OG-N 3.27Å; L269-V423 HydrophobicContact CB-CG1 4.08Å; L269-L427 HydrophobicContact CB-CD1 3.96Å; L269-L427 HydrophobicContact CD2-CD1 3.74Å; L269-L427 HydrophobicContact CG-CD1 4.37Å; L269-N493 HydrophobicContact CD1-CB 4.08Å; L269-N493 HydrophobicContact CD2-CB 4.3Å; L269-N493 WeakPolarHBondContact CD2-ND2 3.34Å; L269-M496 HydrophobicContact CD1-CB 4.33Å; L269-M496 HydrophobicContact CD1-SD 3.81Å; L269-M496 HydrophobicContact CG-CB 4.12Å; L269-M496 HydrophobicContact CG-SD 4.42Å
270	Q	82.5	Confident	82.1	Confident	68 Å²	68	41.6 Å²	41.6	32%	0.318	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-41.1	-176.3	-72	175.7	-18.4	0	0	111.5	S267 V423	S267-Q270 PolarHBondContact O-N 3.42Å; Q270-V423 HydrophobicContact CG-CG1 4.09Å; Q270-V423 HydrophobicContact CG-CG2 3.64Å
271	F	80.2	Confident	82	Confident	37 Å²	37	41.1 Å²	41.1	16%	0.162	20%	0.199	C	C	.	.			trans	-120.3	115.7	-172.4	-56.1	-79.9	0	0	0	109.6	V247 L248 M251 A266 S267	V247-F271 HydrophobicContact CG1-CE2 3.96Å; V247-F271 HydrophobicContact CG1-CZ 4.44Å; L248-F271 HydrophobicContact CB-CZ 4.48Å; L248-F271 HydrophobicContact CD1-CE1 3.72Å; L248-F271 HydrophobicContact CD1-CZ 3.96Å; M251-F271 HydrophobicContact CB-CE1 4.03Å; M251-F271 HydrophobicContact CB-CZ 4.21Å; M251-F271 HydrophobicContact CE-CD1 4.01Å; M251-F271 HydrophobicContact CE-CE1 4.42Å; M251-F271 HydrophobicContact CE-CG 4.29Å; M251-F271 HydrophobicContact CG-CD1 4.26Å; M251-F271 HydrophobicContact CG-CE1 3.81Å; M251-F271 HydrophobicContact CG-CE2 4.1Å; M251-F271 HydrophobicContact CG-CZ 3.73Å; A266-F271 HydrophobicContact CB-CD2 3.66Å; A266-F271 HydrophobicContact CB-CE2 4.06Å; A266-F271 HydrophobicContact CB-CG 4.45Å; S267-F271 PolarHBondContact O-N 2.9Å
272	K	69.1	Low	81.9	Confident	164 Å²	164	41.3 Å²	41.3	71%	0.713	20%	0.2	S	C	*	.			trans	-92	-22.9	175.2	-64.7	-175.7	-179.5	179.7	0	112.8	M274	K272-M274 PolarHBondContact O-N 3.37Å
273	N	68.2	Low	81.8	Confident	130 Å²	130	46.1 Å²	46.1	70%	0.695	23%	0.226	S	C	*	.			trans	-73.9	113.4	179	-76.3	0.4	0	0	0	109.3
274	M	62.6	Low	81.8	Confident	87 Å²	87	46.6 Å²	46.6	43%	0.429	23%	0.228	S	C	.	.			trans	-77.7	-21.9	-179.1	-60.7	-64.4	-73.4	0	0	111.3	K272 S276 V277 W278	K272-M274 PolarHBondContact O-N 3.37Å; M274-S276 PolarHBondContact O-N 2.75Å; M274-V277 WeakPolarHBondContact CE-O 3.22Å; M274-V277 CarbonylContact O-C 3.55Å; M274-V277 WeakPolarHBondContact O-CA 3.41Å; M274-V277 PolarHBondContact O-N 3.25Å; M274-W278 PolarHBondContact O-N 2.77Å
275	D	66.8	Low	81.9	Confident	24 Å²	24	46.8 Å²	46.8	13%	0.128	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-36	-171.7	-65.4	1.8	0	0	0	115.9	Y106 R504 R509	Y106-D275 WeakPolarHBondContact CE1-OD1 3.4Å; Y106-D275 PolarHBondContact OH-OD1 3.48Å; Y106-D275 VanDerWaalsContact OH-OD1 3.09Å; Y106-D275 PolarHBondContact OH-OD2 3.42Å; D275-R504 IonicContact OD2-CZ 3.03Å; D275-R504 VanDerWaalsContact OD2-CZ 3.28Å; D275-R504 IonicContact OD2-NH1 3.12Å; D275-R504 PolarHBondContact OD2-NH1 2.96Å; D275-R504 IonicContact OD2-NH2 2.69Å; D275-R504 PolarHBondContact OD2-NH2 2.89Å; D275-R509 PolarHBondContact O-NH2 3.02Å
276	S	68.4	Low	82.1	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.063	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-0.3	178.9	-47.9	0	0	0	0	113.1	N255 M274 L502	N255-S276 PolarHBondContact OD1-OG 2.96Å; M274-S276 PolarHBondContact O-N 2.75Å; S276-L502 WeakPolarHBondContact CA-O 3.15Å; S276-L502 WeakPolarHBondContact CB-O 3.27Å; S276-L502 PolarHBondContact O-N 2.95Å
277	V	69.7	Low	82.3	Confident	10 Å²	10	48 Å²	48	6%	0.061	24%	0.236	C	C	.	.			trans	-147.1	62.6	-171.4	-169.4	0	0	0	0	109.4	M251 A266 M274 S499	M251-V277 HydrophobicContact CE-CG2 3.62Å; M251-V277 HydrophobicContact SD-CG2 3.67Å; A266-V277 HydrophobicContact CB-CG1 4.17Å; A266-V277 HydrophobicContact CB-CG2 4.05Å; M274-V277 WeakPolarHBondContact CE-O 3.22Å; M274-V277 CarbonylContact O-C 3.55Å; M274-V277 WeakPolarHBondContact O-CA 3.41Å; M274-V277 PolarHBondContact O-N 3.25Å; V277-S499 WeakPolarHBondContact CG1-OG 3.37Å
278	W	68.6	Low	82.7	Confident	104 Å²	104	47.7 Å²	47.7	39%	0.394	23%	0.234	S	C	.	.			trans	-78.7	-55.4	-172.6	-96.9	9.2	0	0	0	114.5	L109 M274	L109-W278 HydrophobicContact CD2-CH2 3.66Å; L109-W278 HydrophobicContact CD2-CZ2 3.74Å; L109-W278 HydrophobicContact CD2-CZ3 4.13Å; M274-W278 PolarHBondContact O-N 2.77Å
279	Y	84.2	Confident	83	Confident	95 Å²	95	45.4 Å²	45.4	37%	0.373	22%	0.218	S	C	.	.	S	Bend	trans	-102.9	124.8	-173.4	-163.1	-90.3	0	0	0	112.4	S499 E513 M516 M517	Y279-S499 VanDerWaalsContact O-CB 3.31Å; Y279-S499 WeakPolarHBondContact O-CB 3.23Å; Y279-E513 HydrophobicContact CG-CG 4.49Å; Y279-M516 HydrophobicContact CD1-CE 4.32Å; Y279-M517 HydrophobicContact CE1-CG 3.65Å; Y279-M517 HydrophobicContact CE1-SD 4.3Å; Y279-M517 HydrophobicContact CE2-SD 4.12Å; Y279-M517 WeakPolarHBondContact OH-CG 3.42Å; Y279-M517 PolarHBondContact OH-SD 3.42Å
280	P	89.4	Confident	83.5	Confident	44 Å²	44	44.2 Å²	44.2	29%	0.286	21%	0.211	S	C	.	.			trans	-69.1	134.1	-179.7	29.6	-34.4	0	0	0	112	L497 S499	P280-L497 HydrophobicContact CB-CB 4.08Å; P280-L497 HydrophobicContact CB-CD1 4.2Å; P280-L497 HydrophobicContact CB-CD2 3.93Å; P280-L497 HydrophobicContact CB-CG 4.29Å; P280-L497 HydrophobicContact CG-CD1 4.44Å; P280-L497 HydrophobicContact CG-CD2 4.4Å; P280-S499 WeakPolarHBondContact CA-OG 3.41Å
281	Y	92.1	Very high	84.1	Confident	7 Å²	7	41.4 Å²	41.4	3%	0.027	20%	0.199	C	C	.	.	S	Bend	trans	-89	-51.3	172.7	178.1	-127.6	0	0	0	110.7	Y216 L217 M220 L265 F498 M516 H520 V525	Y216-Y281 HydrophobicContact CD2-CE1 4.22Å; Y216-Y281 HydrophobicContact CE2-CE1 4.43Å; Y216-Y281 PolarHBondContact O-OH 3.36Å; L217-Y281 HydrophobicContact CD1-CD1 4.14Å; L217-Y281 HydrophobicContact CD1-CE1 3.94Å; M220-Y281 HydrophobicContact CE-CE2 4.38Å; M220-Y281 HydrophobicContact CG-CE2 4.01Å; L265-Y281 HydrophobicContact CD2-CD1 3.89Å; Y281-F498 PolarHBondContact N-O 3.36Å; Y281-M516 HydrophobicContact CD2-CB 4.26Å; Y281-M516 HydrophobicContact CD2-CG 4.15Å; Y281-M516 HydrophobicContact CD2-SD 4Å; Y281-M516 HydrophobicContact CG-SD 4.26Å; Y281-H520 AromaticContact CD2-CD2 3.99Å; Y281-H520 AromaticContact CD2-NE2 3.4Å; Y281-H520 WeakPolarHBondContact CD2-NE2 3.49Å; Y281-H520 AromaticContact CE2-CD2 3.93Å; Y281-H520 AromaticContact CE2-NE2 3.38Å; Y281-H520 WeakPolarHBondContact CE2-NE2 3.25Å; Y281-H520 PolarHBondContact O-CE1 2.97Å; Y281-H520 VanDerWaalsContact O-CE1 3.3Å; Y281-H520 PolarHBondContact O-NE2 3.07Å; Y281-V525 HydrophobicContact CE2-CG1 4.41Å; Y281-V525 HydrophobicContact CE2-CG2 3.79Å; Y281-V525 WeakPolarHBondContact OH-CG2 3.23Å
282	L	92.2	Very high	84.6	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.6	179.7	-57.5	-179.4	0	0	0	111.7	Y216 L265 F498 V525 K529	Y216-L282 HydrophobicContact CD2-CD1 4.35Å; Y216-L282 HydrophobicContact CE2-CD1 3.57Å; L265-L282 HydrophobicContact CD1-CD1 3.91Å; L282-F498 HydrophobicContact CB-CB 4.03Å; L282-F498 PolarHBondContact N-O 3.31Å; L282-F498 PolarHBondContact O-N 2.9Å; L282-V525 HydrophobicContact CD2-CG1 3.78Å; L282-K529 VanDerWaalsContact CD2-NZ 3.28Å
283	L	92.5	Very high	85.6	Confident	102 Å²	102	35.2 Å²	35.2	53%	0.534	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.5	164	175.8	59.7	0	0	0	109.4	F495 L497	L283-F495 HydrophobicContact CD1-CD1 4.22Å; L283-F495 HydrophobicContact CD1-CD2 3.31Å; L283-F495 HydrophobicContact CD1-CE1 4.03Å; L283-F495 HydrophobicContact CD1-CE2 3.09Å; L283-F495 HydrophobicContact CD1-CG 3.88Å; L283-F495 HydrophobicContact CD1-CZ 3.47Å; L283-F495 VanDerWaalsContact CD1-CZ 3.47Å; L283-F495 HydrophobicContact CD2-CD2 4.03Å; L283-F495 HydrophobicContact CD2-CE2 3.54Å; L283-F495 HydrophobicContact CD2-CZ 4.41Å; L283-F495 HydrophobicContact CG-CD2 4.23Å; L283-F495 HydrophobicContact CG-CE2 3.94Å; L283-L497 HydrophobicContact CD1-CD2 3.87Å
284	T	92.9	Very high	86.3	Confident	9 Å²	9	30.6 Å²	30.6	6%	0.055	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	170.5	-174.9	-156.1	0	0	0	0	112.5	V466 D467 M496 F498	T284-V466 PolarHBondContact OG1-N 3.36Å; T284-D467 WeakPolarHBondContact CB-OD2 3.23Å; T284-D467 PolarHBondContact OG1-N 3.1Å; T284-D467 PolarHBondContact OG1-OD2 2.83Å; T284-M496 HydrophobicContact CG2-CE 3.81Å; T284-M496 HydrophobicContact CG2-CG 3.54Å; T284-M496 HydrophobicContact CG2-SD 3.98Å; T284-M496 PolarHBondContact N-O 3.49Å; T284-M496 VanDerWaalsContact O-CG 3.25Å; T284-M496 WeakPolarHBondContact O-CG 3.47Å; T284-M496 PolarHBondContact O-N 2.9Å; T284-M496 VanDerWaalsContact O-O 3.12Å; T284-F498 HydrophobicContact CG2-CD2 3.66Å; T284-F498 HydrophobicContact CG2-CE2 3.62Å; T284-F498 HydrophobicContact CG2-CG 4.32Å; T284-F498 HydrophobicContact CG2-CZ 4.27Å
285	G	94.1	Very high	87.4	Confident	5 Å²	5	28.5 Å²	28.5	5%	0.052	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	160.5	170.7	0	0	0	0	0	111	S465 V466 N493	G285-S465 CarbonylContact O-C 3.55Å; G285-S465 VanDerWaalsContact O-CA 3.23Å; G285-S465 WeakPolarHBondContact O-CA 3.23Å; G285-V466 PolarHBondContact O-N 2.83Å; G285-N493 WeakPolarHBondContact CA-O 3.35Å
286	Y	95.4	Very high	88.1	Confident	23 Å²	23	29.2 Å²	29.2	9%	0.09	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	101.8	173	-171.2	-124.9	0	0	0	109.3	E420 L424 P463 C491 F492 N493	Y286-E420 VanDerWaalsContact OH-CG 3.29Å; Y286-E420 WeakPolarHBondContact OH-CG 3.48Å; Y286-E420 PolarHBondContact OH-OE1 3.07Å; Y286-E420 VanDerWaalsContact OH-OE1 3.06Å; Y286-L424 HydrophobicContact CD1-CD2 4.48Å; Y286-L424 HydrophobicContact CE1-CD1 4.32Å; Y286-L424 HydrophobicContact CE1-CD2 4.31Å; Y286-P463 HydrophobicContact CE1-CB 4.15Å; Y286-P463 HydrophobicContact CE2-CB 3.97Å; Y286-P463 VanDerWaalsContact OH-CB 3.31Å; Y286-P463 WeakPolarHBondContact OH-CB 3.37Å; Y286-P463 WeakPolarHBondContact OH-CG 3.28Å; Y286-C491 CarbonylContact O-C 3.47Å; Y286-C491 VanDerWaalsContact O-CA 3.31Å; Y286-C491 WeakPolarHBondContact O-CA 3.46Å; Y286-C491 WeakPolarHBondContact O-CB 3.47Å; Y286-F492 HydrophobicContact CD1-CB 3.91Å; Y286-F492 AromaticContact CD1-CD2 3.76Å; Y286-F492 HydrophobicContact CD1-CD2 3.76Å; Y286-F492 HydrophobicContact CD1-CG 4.32Å; Y286-F492 HydrophobicContact CE1-CB 4.5Å; Y286-F492 AromaticContact CE1-CD2 3.65Å; Y286-F492 HydrophobicContact CE1-CD2 3.65Å; Y286-F492 HydrophobicContact CE1-CE2 4.39Å; Y286-F492 HydrophobicContact CE1-CG 4.49Å; Y286-F492 PolarHBondContact O-N 3.02Å; Y286-N493 PolarHBondContact N-O 3.24Å; Y286-N493 PolarHBondContact O-N 3.29Å
287	C	96.4	Very high	88.7	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.027	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	166.8	-165.6	-50	0	0	0	0	112.3	P463 V464 L486 L490 C491	C287-P463 WeakPolarHBondContact O-CA 3.2Å; C287-V464 PolarHBondContact N-O 2.89Å; C287-V464 PolarHBondContact O-N 3.36Å; C287-V464 VanDerWaalsContact O-O 3.07Å; C287-L486 HydrophobicContact CB-CD1 3.93Å; C287-L490 WeakPolarHBondContact CA-O 3.49Å; C287-C491 HydrophobicContact CB-CB 3.96Å; C287-C491 WeakPolarHBondContact CB-SG 3.44Å; C287-C491 WeakPolarHBondContact SG-CB 3.44Å; C287-C491 CovalentContact SG-SG 2.03Å; C287-C491 PolarHBondContact SG-SG 3.32Å
288	L	96.5	Very high	89.3	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	125.8	179.1	-57.6	-175.1	0	0	0	111.1	V290 F404 I407 M414 I461 P463 A487 L490 F492	L288-V290 HydrophobicContact CB-CG2 3.88Å; L288-F404 HydrophobicContact CD1-CD1 4.19Å; L288-F404 HydrophobicContact CD1-CE1 3.78Å; L288-F404 HydrophobicContact CG-CE1 4.27Å; L288-I407 HydrophobicContact CD1-CD1 3.71Å; L288-M414 HydrophobicContact CD1-CE 3.44Å; L288-M414 VanDerWaalsContact CD1-CE 3.44Å; L288-M414 HydrophobicContact CD2-CE 3.46Å; L288-M414 VanDerWaalsContact CD2-CE 3.46Å; L288-M414 HydrophobicContact CD2-SD 4.07Å; L288-M414 HydrophobicContact CG-CE 4.1Å; L288-I461 HydrophobicContact CB-CG2 3.96Å; L288-I461 HydrophobicContact CD1-CG2 4.06Å; L288-I461 HydrophobicContact CD2-CG2 4.26Å; L288-I461 HydrophobicContact CG-CG2 4.32Å; L288-P463 HydrophobicContact CD2-CB 4.02Å; L288-A487 WeakPolarHBondContact O-CB 3.14Å; L288-A487 PolarHBondContact O-N 3.32Å; L288-L490 HydrophobicContact CB-CB 4.18Å; L288-L490 HydrophobicContact CD1-CB 3.95Å; L288-L490 HydrophobicContact CD1-CD1 4.26Å; L288-L490 HydrophobicContact CG-CB 4.1Å; L288-L490 PolarHBondContact N-O 2.99Å; L288-F492 HydrophobicContact CD2-CD2 4.43Å; L288-F492 HydrophobicContact CD2-CE2 3.67Å; L288-F492 HydrophobicContact CD2-CZ 4.05Å
289	M	96.3	Very high	89.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	111.9	160.5	164.1	175.4	135.7	0	0	107.5	F462 V464 W469 Y472 F484	M289-F462 WeakPolarHBondContact CB-O 3.15Å; M289-F462 HydrophobicContact CE-CD2 3.96Å; M289-F462 PolarHBondContact N-O 2.94Å; M289-F462 PolarHBondContact O-N 3.37Å; M289-V464 HydrophobicContact CB-CG1 4Å; M289-V464 HydrophobicContact CB-CG2 3.66Å; M289-V464 HydrophobicContact SD-CG1 4.18Å; M289-W469 HydrophobicContact CB-CE3 4.29Å; M289-W469 HydrophobicContact CB-CZ3 4.31Å; M289-W469 HydrophobicContact CG-CE3 4.16Å; M289-W469 HydrophobicContact CG-CZ3 3.79Å; M289-W469 HydrophobicContact SD-CE3 4.12Å; M289-W469 HydrophobicContact SD-CZ3 3.97Å; M289-Y472 HydrophobicContact SD-CD2 3.67Å; M289-Y472 HydrophobicContact SD-CE2 3.82Å; M289-Y472 HydrophobicContact SD-CG 4.34Å; M289-F484 HydrophobicContact CE-CB 4.4Å; M289-F484 HydrophobicContact CE-CD1 3.67Å; M289-F484 HydrophobicContact CE-CD2 3.92Å; M289-F484 HydrophobicContact CE-CE1 3.8Å; M289-F484 HydrophobicContact CE-CE2 4.06Å; M289-F484 HydrophobicContact CE-CG 3.73Å; M289-F484 HydrophobicContact CE-CZ 3.99Å; M289-F484 HydrophobicContact CG-CB 3.79Å; M289-F484 HydrophobicContact CG-CD1 3.45Å; M289-F484 VanDerWaalsContact CG-CD1 3.45Å; M289-F484 HydrophobicContact CG-CE1 4.25Å; M289-F484 HydrophobicContact CG-CG 3.81Å; M289-F484 HydrophobicContact SD-CB 4.48Å; M289-F484 HydrophobicContact SD-CD1 4.37Å; M289-F484 HydrophobicContact SD-CG 4.39Å
290	V	95.9	Very high	89.8	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.3	-171.2	-178.2	0	0	0	0	109.4	L288 I401 I461 F484 Y485 A487	L288-V290 HydrophobicContact CB-CG2 3.88Å; V290-I401 HydrophobicContact CG1-CD1 3.78Å; V290-I401 HydrophobicContact CG1-CG1 4.26Å; V290-I461 HydrophobicContact CG1-CG1 4.34Å; V290-I461 HydrophobicContact CG2-CG2 3.99Å; V290-F484 CarbonylContact O-C 3.59Å; V290-F484 WeakPolarHBondContact O-CA 3.07Å; V290-F484 WeakPolarHBondContact O-CB 3.46Å; V290-F484 WeakPolarHBondContact O-CD1 3.27Å; V290-Y485 HydrophobicContact CB-CD1 4.23Å; V290-Y485 HydrophobicContact CB-CE1 3.62Å; V290-Y485 HydrophobicContact CB-CE2 4.27Å; V290-Y485 HydrophobicContact CG1-CE1 3.64Å; V290-Y485 PolarHBondContact N-O 2.87Å; V290-Y485 VanDerWaalsContact O-CD1 3.26Å; V290-Y485 WeakPolarHBondContact O-CD1 3.45Å; V290-Y485 PolarHBondContact O-N 3.16Å; V290-A487 HydrophobicContact CG2-CB 3.94Å
291	P	94.3	Very high	89.6	Confident	10 Å²	10	30.6 Å²	30.6	7%	0.065	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	141	174.2	-22.4	31.3	0	0	0	111.3	L412 T458 F460 A483 F484 Y485	P291-L412 HydrophobicContact CG-CD1 4.26Å; P291-L412 HydrophobicContact CG-CD2 4.45Å; P291-T458 HydrophobicContact CB-CG2 4.33Å; P291-T458 WeakPolarHBondContact CG-O 3.45Å; P291-F460 WeakPolarHBondContact CD-O 3.43Å; P291-F460 VanDerWaalsContact CG-O 3.27Å; P291-F460 WeakPolarHBondContact CG-O 3.12Å; P291-A483 WeakPolarHBondContact CA-O 3.44Å; P291-F484 HydrophobicContact CB-CD1 4.41Å; P291-F484 HydrophobicContact CB-CE1 4.22Å; P291-F484 HydrophobicContact CG-CD1 4.12Å; P291-F484 HydrophobicContact CG-CE1 3.6Å; P291-F484 HydrophobicContact CG-CZ 4.17Å; P291-F484 VanDerWaalsContact N-CD1 3.32Å; P291-Y485 WeakPolarHBondContact O-CE1 3.5Å
292	I	91.7	Very high	89.1	Confident	51 Å²	51	31.9 Å²	31.9	26%	0.262	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-65.1	130.9	174.7	-77	164.4	0	0	0	109.1	P482 A483 F484 Y485	I292-P482 VanDerWaalsContact CD1-C 3.44Å; I292-P482 HydrophobicContact CD1-CB 3.46Å; I292-P482 VanDerWaalsContact CD1-CB 3.46Å; I292-P482 HydrophobicContact CD1-CG 3.5Å; I292-P482 VanDerWaalsContact CD1-CG 3.5Å; I292-P482 WeakPolarHBondContact CD1-O 3.33Å; I292-A483 PolarHBondContact N-O 3.45Å; I292-F484 WeakPolarHBondContact CD1-O 3.36Å; I292-Y485 HydrophobicContact CG1-CD1 3.88Å
293	P	88.7	Confident	88.4	Confident	19 Å²	19	35 Å²	35	12%	0.123	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-57.8	142.1	-178.9	-22.4	31.6	0	0	0	111.5	K295 E398 Y400	P293-K295 PolarHBondContact O-N 3Å; P293-E398 HydrophobicContact CB-CB 3.78Å; P293-E398 VanDerWaalsContact CB-O 3.23Å; P293-E398 WeakPolarHBondContact CB-O 3.35Å; P293-Y400 HydrophobicContact CG-CD1 3.9Å; P293-Y400 HydrophobicContact CG-CD2 4.2Å; P293-Y400 HydrophobicContact CG-CE1 4.09Å; P293-Y400 HydrophobicContact CG-CE2 4.36Å; P293-Y400 HydrophobicContact CG-CG 3.95Å
294	A	84.1	Confident	87.8	Confident	33 Å²	33	34.4 Å²	34.4	27%	0.273	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-60.6	138.7	179	0	0	0	0	0	110.5	E398	A294-E398 PolarHBondContact O-N 2.98Å
295	K	84.3	Confident	87.2	Confident	44 Å²	44	35 Å²	35	19%	0.191	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-60.1	141.1	163.4	-61.8	-178.1	-169	169.2	0	109	P293 P395 E481 R551 E553	P293-K295 PolarHBondContact O-N 3Å; K295-P395 HydrophobicContact CB-CB 4.33Å; K295-P395 HydrophobicContact CB-CG 4.18Å; K295-P395 HydrophobicContact CD-CG 4.11Å; K295-E481 WeakPolarHBondContact CE-OE1 3.42Å; K295-E481 IonicContact NZ-OE1 2.74Å; K295-E481 PolarHBondContact NZ-OE1 2.74Å; K295-E481 IonicContact NZ-OE2 2.83Å; K295-R551 PolarHBondContact O-NH1 2.96Å; K295-E553 IonicContact NZ-OE1 3.09Å; K295-E553 PolarHBondContact NZ-OE1 3.21Å
296	M	82.1	Confident	86.4	Confident	38 Å²	38	37.5 Å²	37.5	19%	0.187	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-63.4	144.1	176.2	-80.6	-171.9	-73.1	0	0	111.7	M304 P396	M296-M304 HydrophobicContact CE-CE 3.9Å; M296-M304 HydrophobicContact CE-SD 3.3Å; M296-M304 WeakPolarHBondContact CE-SD 3.29Å; M296-M304 HydrophobicContact SD-SD 3.98Å; M296-P396 WeakPolarHBondContact CB-O 3.41Å; M296-P396 HydrophobicContact CE-CB 3.42Å; M296-P396 VanDerWaalsContact CE-CB 3.42Å; M296-P396 HydrophobicContact CE-CG 3.41Å; M296-P396 VanDerWaalsContact CE-CG 3.41Å; M296-P396 WeakPolarHBondContact CE-O 3.48Å; M296-P396 PolarHBondContact N-O 3.31Å
297	P	82.3	Confident	85.7	Confident	64 Å²	64	40.1 Å²	40.1	42%	0.416	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-69.6	147.2	175.6	31.4	-36.4	0	0	0	111.2	N299 L300	P297-N299 VanDerWaalsContact C-N 3.25Å; P297-N299 VanDerWaalsContact CB-OD1 3.23Å; P297-N299 WeakPolarHBondContact CB-OD1 3.36Å; P297-N299 WeakPolarHBondContact CG-OD1 3.43Å; P297-N299 PolarHBondContact O-N 3.14Å; P297-L300 HydrophobicContact CG-CB 4.39Å; P297-L300 HydrophobicContact CG-CD1 3.72Å; P297-L300 HydrophobicContact CG-CG 3.98Å; P297-L300 PolarHBondContact O-N 3.34Å; P297-L300 VanDerWaalsContact O-N 3.1Å
298	Y	82.4	Confident	85.2	Confident	69 Å²	69	44.8 Å²	44.8	27%	0.271	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-30.2	-174.8	-69.5	-60.9	0	0	0	113.6	L300 V301 F392 P395 L557	Y298-L300 PolarHBondContact O-N 2.83Å; Y298-V301 HydrophobicContact CD1-CG2 4.36Å; Y298-V301 WeakPolarHBondContact O-CB 3.3Å; Y298-V301 PolarHBondContact O-N 3.26Å; Y298-F392 AromaticContact CD1-CD1 3.68Å; Y298-F392 HydrophobicContact CD1-CD1 3.68Å; Y298-F392 HydrophobicContact CD1-CE1 4.13Å; Y298-F392 HydrophobicContact CE1-CD1 4.02Å; Y298-F392 PolarHBondContact OH-O 3.24Å; Y298-P395 HydrophobicContact CE1-CG 3.85Å; Y298-L557 HydrophobicContact CG-CD2 4.33Å
299	N	80.6	Confident	84.8	Confident	68 Å²	68	50.2 Å²	50.2	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-30.8	174.8	66.7	-14.8	0	0	0	114.2	P297 D561	P297-N299 VanDerWaalsContact C-N 3.25Å; P297-N299 VanDerWaalsContact CB-OD1 3.23Å; P297-N299 WeakPolarHBondContact CB-OD1 3.36Å; P297-N299 WeakPolarHBondContact CG-OD1 3.43Å; P297-N299 PolarHBondContact O-N 3.14Å; N299-D561 WeakPolarHBondContact CA-O 3.35Å
300	L	82.3	Confident	84.3	Confident	87 Å²	87	52.3 Å²	52.3	46%	0.455	29%	0.29	S	S	.	.	H	α-helix	trans	-85.6	-21.8	-179.7	-68.3	179.4	0	0	0	112.8	P297 Y298 Y302 S303 M304	P297-L300 HydrophobicContact CG-CB 4.39Å; P297-L300 HydrophobicContact CG-CD1 3.72Å; P297-L300 HydrophobicContact CG-CG 3.98Å; P297-L300 PolarHBondContact O-N 3.34Å; P297-L300 VanDerWaalsContact O-N 3.1Å; Y298-L300 PolarHBondContact O-N 2.83Å; L300-Y302 VanDerWaalsContact C-N 3.29Å; L300-Y302 PolarHBondContact O-N 3.05Å; L300-S303 PolarHBondContact O-N 2.85Å; L300-S303 PolarHBondContact O-OG 2.9Å; L300-M304 PolarHBondContact O-N 3.44Å; L300-M304 VanDerWaalsContact O-N 3.16Å
301	V	84.4	Confident	83.9	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-54.4	-44.7	-178.4	171.2	0	0	0	0	111.4	Y298 S303 M304 I305 L388 Y391 F392	Y298-V301 HydrophobicContact CD1-CG2 4.36Å; Y298-V301 WeakPolarHBondContact O-CB 3.3Å; Y298-V301 PolarHBondContact O-N 3.26Å; V301-S303 VanDerWaalsContact C-N 3.27Å; V301-S303 PolarHBondContact O-N 3.33Å; V301-M304 PolarHBondContact O-N 3.25Å; V301-I305 HydrophobicContact CG1-CD1 4.04Å; V301-I305 WeakPolarHBondContact O-CG1 3.45Å; V301-I305 PolarHBondContact O-N 3.13Å; V301-L388 HydrophobicContact CG1-CD1 4.24Å; V301-Y391 HydrophobicContact CG1-CD2 3.9Å; V301-Y391 HydrophobicContact CG1-CG 4.24Å; V301-F392 HydrophobicContact CG1-CD1 4.46Å; V301-F392 HydrophobicContact CG1-CE1 4.2Å
302	Y	81.3	Confident	83.7	Confident	35 Å²	35	59.4 Å²	59.4	14%	0.137	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-34.6	-179.6	-62.6	-78.7	0	0	0	113.6	L300 L388 F392 I562 I565	L300-Y302 VanDerWaalsContact C-N 3.29Å; L300-Y302 PolarHBondContact O-N 3.05Å; Y302-L388 HydrophobicContact CD1-CD1 3.89Å; Y302-L388 HydrophobicContact CE1-CD1 3.82Å; Y302-L388 HydrophobicContact CE1-CD2 4.41Å; Y302-F392 AromaticContact CE1-CZ 3.9Å; Y302-F392 HydrophobicContact CE1-CZ 3.9Å; Y302-F392 HydrophobicContact CE2-CZ 4.29Å; Y302-F392 AromaticContact CZ-CZ 3.6Å; Y302-F392 WeakPolarHBondContact OH-CZ 3.04Å; Y302-I562 HydrophobicContact CE2-CG2 4.07Å; Y302-I562 WeakPolarHBondContact OH-CG2 3.27Å; Y302-I565 HydrophobicContact CD1-CD1 3.61Å; Y302-I565 HydrophobicContact CD2-CD1 3.92Å; Y302-I565 HydrophobicContact CE1-CD1 3.94Å; Y302-I565 HydrophobicContact CE2-CD1 4.23Å; Y302-I565 HydrophobicContact CG-CD1 3.58Å
303	S	78.1	Confident	83.7	Confident	70 Å²	70	61.5 Å²	61.5	49%	0.49	34%	0.343	S	S	.	.	H	α-helix	trans	-78.4	-31.8	179.9	70.2	0	0	0	0	112.4	L300 V301 V306	L300-S303 PolarHBondContact O-N 2.85Å; L300-S303 PolarHBondContact O-OG 2.9Å; V301-S303 VanDerWaalsContact C-N 3.27Å; V301-S303 PolarHBondContact O-N 3.33Å; S303-V306 PolarHBondContact O-N 2.87Å
304	M	79.6	Confident	83.7	Confident	89 Å²	89	62.8 Å²	62.8	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-72.6	-35.9	-178.3	-172.5	177.3	-176.9	0	0	112.7	M296 L300 V301 V306 P396	M296-M304 HydrophobicContact CE-CE 3.9Å; M296-M304 HydrophobicContact CE-SD 3.3Å; M296-M304 WeakPolarHBondContact CE-SD 3.29Å; M296-M304 HydrophobicContact SD-SD 3.98Å; L300-M304 PolarHBondContact O-N 3.44Å; L300-M304 VanDerWaalsContact O-N 3.16Å; V301-M304 PolarHBondContact O-N 3.25Å; M304-V306 PolarHBondContact O-N 3.45Å; M304-P396 HydrophobicContact CE-CG 4.47Å; M304-P396 HydrophobicContact SD-CG 4.2Å
305	I	81.4	Confident	84.1	Confident	21 Å²	21	66.5 Å²	66.5	11%	0.108	36%	0.359	C	S	.	.	H	α-helix	trans	-65.8	-32.6	177.8	-60.1	165.2	0	0	0	110.6	V301 D307 Y384 L388 Y391	V301-I305 HydrophobicContact CG1-CD1 4.04Å; V301-I305 WeakPolarHBondContact O-CG1 3.45Å; V301-I305 PolarHBondContact O-N 3.13Å; I305-D307 VanDerWaalsContact C-N 3.29Å; I305-D307 PolarHBondContact O-N 3.21Å; I305-Y384 HydrophobicContact CB-CD2 4.32Å; I305-Y384 HydrophobicContact CB-CE2 3.92Å; I305-Y384 HydrophobicContact CD1-CE2 4.5Å; I305-Y384 HydrophobicContact CG2-CD2 3.38Å; I305-Y384 HydrophobicContact CG2-CE2 3.49Å; I305-Y384 VanDerWaalsContact CG2-CE2 3.49Å; I305-Y384 HydrophobicContact CG2-CG 4.35Å; I305-L388 HydrophobicContact CD1-CB 3.98Å; I305-L388 HydrophobicContact CD1-CD1 3.68Å; I305-L388 HydrophobicContact CD1-CG 4.48Å; I305-Y391 HydrophobicContact CD1-CD2 3.97Å; I305-Y391 HydrophobicContact CG1-CD2 3.64Å; I305-Y391 HydrophobicContact CG1-CE2 3.75Å
306	V	77.1	Confident	84.5	Confident	58 Å²	58	67.9 Å²	67.9	35%	0.352	37%	0.37	S	S	.	.	S	Bend	trans	-91.6	63.1	178.3	-168.1	0	0	0	0	109.9	S303 M304 L311 Y384	S303-V306 PolarHBondContact O-N 2.87Å; M304-V306 PolarHBondContact O-N 3.45Å; V306-L311 HydrophobicContact CG1-CB 4.15Å; V306-L311 HydrophobicContact CG1-CD1 4.16Å; V306-Y384 HydrophobicContact CG2-CE2 3.82Å
307	D	80.1	Confident	84.9	Confident	78 Å²	78	69 Å²	69	42%	0.417	38%	0.376	S	S	.	.			trans	-53.1	134.8	171.9	-178.3	-19.8	0	0	0	109.7	I305 L309 V310 L311	I305-D307 VanDerWaalsContact C-N 3.29Å; I305-D307 PolarHBondContact O-N 3.21Å; D307-L309 PolarHBondContact O-N 3.42Å; D307-L309 PolarHBondContact OD1-N 3.03Å; D307-V310 HydrophobicContact CB-CB 4.47Å; D307-V310 HydrophobicContact CB-CG2 4.11Å; D307-V310 WeakPolarHBondContact O-CA 3.34Å; D307-V310 WeakPolarHBondContact O-CB 3.21Å; D307-V310 PolarHBondContact O-N 2.91Å; D307-L311 PolarHBondContact O-N 3.44Å
308	P	86.3	Confident	85.4	Confident	101 Å²	101	66.7 Å²	66.7	66%	0.656	36%	0.36	S	S	*	.	H	α-helix	trans	-42.8	-35.9	171.9	-31.8	33.5	0	0	0	114.9	S312	P308-S312 VanDerWaalsContact O-CB 3.28Å; P308-S312 WeakPolarHBondContact O-CB 3.45Å; P308-S312 PolarHBondContact O-N 3Å
309	L	87.6	Confident	85.8	Confident	114 Å²	114	64.9 Å²	64.9	60%	0.597	36%	0.357	S	S	*	.	H	α-helix	trans	-64.8	-47	175.7	-174.9	70.9	0	0	0	111.9	D307 S312 I313	D307-L309 PolarHBondContact O-N 3.42Å; D307-L309 PolarHBondContact OD1-N 3.03Å; L309-S312 WeakPolarHBondContact O-CB 3.44Å; L309-S312 PolarHBondContact O-N 3.46Å; L309-I313 HydrophobicContact CG-CD1 4.27Å; L309-I313 WeakPolarHBondContact O-CG1 3.42Å; L309-I313 PolarHBondContact O-N 3.32Å
310	V	86.8	Confident	86.3	Confident	44 Å²	44	66.6 Å²	66.6	27%	0.267	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-43.6	179	177.2	0	0	0	0	110.3	D307 S312 I313 I314	D307-V310 HydrophobicContact CB-CB 4.47Å; D307-V310 HydrophobicContact CB-CG2 4.11Å; D307-V310 WeakPolarHBondContact O-CA 3.34Å; D307-V310 WeakPolarHBondContact O-CB 3.21Å; D307-V310 PolarHBondContact O-N 2.91Å; V310-S312 VanDerWaalsContact C-N 3.3Å; V310-S312 PolarHBondContact O-N 2.91Å; V310-I313 PolarHBondContact O-N 3.41Å; V310-I314 HydrophobicContact CG1-CD1 3.96Å; V310-I314 HydrophobicContact CG1-CG1 4.48Å; V310-I314 WeakPolarHBondContact O-CG1 3.24Å; V310-I314 PolarHBondContact O-N 2.82Å
311	L	87.6	Confident	86.7	Confident	97 Å²	97	62.9 Å²	62.9	51%	0.508	35%	0.346	S	S	.	.	H	α-helix	trans	-61	-40.9	176	-173.1	66.4	0	0	0	111.6	V306 D307 I314 F315	V306-L311 HydrophobicContact CG1-CB 4.15Å; V306-L311 HydrophobicContact CG1-CD1 4.16Å; D307-L311 PolarHBondContact O-N 3.44Å; L311-I314 PolarHBondContact O-N 3.17Å; L311-F315 VanDerWaalsContact O-CB 3.32Å; L311-F315 WeakPolarHBondContact O-CB 3.45Å; L311-F315 PolarHBondContact O-N 2.89Å
312	S	90.1	Very high	87	Confident	64 Å²	64	62.8 Å²	62.8	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-44.1	175	-175.8	0	0	0	0	111.7	P308 L309 V310 F315 V316	P308-S312 VanDerWaalsContact O-CB 3.28Å; P308-S312 WeakPolarHBondContact O-CB 3.45Å; P308-S312 PolarHBondContact O-N 3Å; L309-S312 WeakPolarHBondContact O-CB 3.44Å; L309-S312 PolarHBondContact O-N 3.46Å; V310-S312 VanDerWaalsContact C-N 3.3Å; V310-S312 PolarHBondContact O-N 2.91Å; S312-F315 WeakPolarHBondContact O-CB 3.28Å; S312-F315 PolarHBondContact O-N 3.44Å; S312-V316 WeakPolarHBondContact O-CG2 3.38Å; S312-V316 PolarHBondContact O-N 3.38Å
313	I	90.4	Very high	87.3	Confident	95 Å²	95	63.5 Å²	63.5	49%	0.487	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-47.2	176.1	-66.9	164.7	0	0	0	110.8	L309 V310 F315 V316 M317	L309-I313 HydrophobicContact CG-CD1 4.27Å; L309-I313 WeakPolarHBondContact O-CG1 3.42Å; L309-I313 PolarHBondContact O-N 3.32Å; V310-I313 PolarHBondContact O-N 3.41Å; I313-F315 VanDerWaalsContact C-N 3.28Å; I313-F315 PolarHBondContact O-N 2.9Å; I313-V316 PolarHBondContact O-N 3.12Å; I313-M317 HydrophobicContact CG2-CG 4.37Å; I313-M317 WeakPolarHBondContact O-CB 3.42Å; I313-M317 VanDerWaalsContact O-CG 3.28Å; I313-M317 WeakPolarHBondContact O-CG 3.42Å; I313-M317 PolarHBondContact O-N 3.36Å
314	I	90.1	Very high	87.8	Confident	47 Å²	47	63.7 Å²	63.7	24%	0.241	35%	0.348	C	S	.	.	H	α-helix	trans	-58.5	-42.9	176.8	-69.3	171.6	0	0	0	110.5	V310 L311 M317 L318 L351 I380	V310-I314 HydrophobicContact CG1-CD1 3.96Å; V310-I314 HydrophobicContact CG1-CG1 4.48Å; V310-I314 WeakPolarHBondContact O-CG1 3.24Å; V310-I314 PolarHBondContact O-N 2.82Å; L311-I314 PolarHBondContact O-N 3.17Å; I314-M317 PolarHBondContact O-N 3.36Å; I314-L318 WeakPolarHBondContact O-CB 3.45Å; I314-L318 PolarHBondContact O-N 3.46Å; I314-L351 HydrophobicContact CG2-CD2 3.67Å; I314-I380 HydrophobicContact CD1-CG2 4.16Å; I314-I380 HydrophobicContact CG1-CD1 4.39Å
315	F	91	Very high	88.1	Confident	110 Å²	110	59.5 Å²	59.5	48%	0.482	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-43.6	178	-177.5	-98.8	0	0	0	112.7	L311 S312 I313 L318 C319 L342	L311-F315 VanDerWaalsContact O-CB 3.32Å; L311-F315 WeakPolarHBondContact O-CB 3.45Å; L311-F315 PolarHBondContact O-N 2.89Å; S312-F315 WeakPolarHBondContact O-CB 3.28Å; S312-F315 PolarHBondContact O-N 3.44Å; I313-F315 VanDerWaalsContact C-N 3.28Å; I313-F315 PolarHBondContact O-N 2.9Å; F315-L318 WeakPolarHBondContact O-CB 3.49Å; F315-L318 PolarHBondContact O-N 2.97Å; F315-C319 PolarHBondContact O-N 3.44Å; F315-C319 PolarHBondContact O-SG 3.29Å; F315-L342 HydrophobicContact CE2-CD1 3.53Å; F315-L342 HydrophobicContact CZ-CD1 3.49Å; F315-L342 VanDerWaalsContact CZ-CD1 3.49Å
316	V	92.5	Very high	88.3	Confident	73 Å²	73	59.2 Å²	59.2	44%	0.442	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-45.3	174.6	170.6	0	0	0	0	110.5	S312 I313 L318 C319 L320	S312-V316 WeakPolarHBondContact O-CG2 3.38Å; S312-V316 PolarHBondContact O-N 3.38Å; I313-V316 PolarHBondContact O-N 3.12Å; V316-L318 VanDerWaalsContact C-N 3.34Å; V316-L318 PolarHBondContact O-N 3.32Å; V316-C319 PolarHBondContact O-N 2.85Å; V316-L320 HydrophobicContact CG1-CD1 3.92Å; V316-L320 HydrophobicContact CG1-CG 4.29Å; V316-L320 VanDerWaalsContact O-CG 3.32Å; V316-L320 WeakPolarHBondContact O-CG 3.46Å; V316-L320 PolarHBondContact O-N 2.91Å
317	M	90.9	Very high	88.5	Confident	61 Å²	61	61.1 Å²	61.1	30%	0.3	33%	0.328	S	S	.	.	H	α-helix	trans	-60.7	-42.5	176.7	-70.9	-60.1	-62.6	0	0	111.8	I313 I314 C319 L320 F321	I313-M317 HydrophobicContact CG2-CG 4.37Å; I313-M317 WeakPolarHBondContact O-CB 3.42Å; I313-M317 VanDerWaalsContact O-CG 3.28Å; I313-M317 WeakPolarHBondContact O-CG 3.42Å; I313-M317 PolarHBondContact O-N 3.36Å; I314-M317 PolarHBondContact O-N 3.36Å; M317-C319 VanDerWaalsContact C-N 3.35Å; M317-C319 PolarHBondContact O-N 2.94Å; M317-L320 PolarHBondContact O-N 3.22Å; M317-L320 HydrophobicContact SD-CD1 4.37Å; M317-F321 HydrophobicContact CB-CD2 4.45Å; M317-F321 HydrophobicContact CB-CE2 4.48Å; M317-F321 HydrophobicContact CE-CD2 4.15Å; M317-F321 HydrophobicContact CE-CE2 3.33Å; M317-F321 HydrophobicContact CE-CZ 3.73Å; M317-F321 WeakPolarHBondContact O-CB 3.4Å; M317-F321 WeakPolarHBondContact O-CD2 3.39Å; M317-F321 PolarHBondContact O-N 3.23Å
318	L	92.3	Very high	88.5	Confident	17 Å²	17	58.5 Å²	58.5	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-57.2	-48.4	174.3	-179.5	142.3	0	0	0	111	I314 F315 V316 L320 F321 S322 L348 L351	I314-L318 WeakPolarHBondContact O-CB 3.45Å; I314-L318 PolarHBondContact O-N 3.46Å; F315-L318 WeakPolarHBondContact O-CB 3.49Å; F315-L318 PolarHBondContact O-N 2.97Å; V316-L318 VanDerWaalsContact C-N 3.34Å; V316-L318 PolarHBondContact O-N 3.32Å; L318-L320 PolarHBondContact O-N 2.73Å; L318-F321 PolarHBondContact O-N 2.93Å; L318-S322 WeakPolarHBondContact O-CB 3.45Å; L318-S322 PolarHBondContact O-N 3.34Å; L318-S322 PolarHBondContact O-OG 3.1Å; L318-L348 HydrophobicContact CD1-CB 4.09Å; L318-L348 HydrophobicContact CD1-CD1 3.55Å; L318-L348 HydrophobicContact CD1-CG 4.43Å; L318-L351 HydrophobicContact CB-CD2 4.09Å
319	C	91.5	Very high	88	Confident	31 Å²	31	56.8 Å²	56.8	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-44	178.8	-66.4	0	0	0	0	112.1	F315 V316 M317 S322 V323 I341	F315-C319 PolarHBondContact O-N 3.44Å; F315-C319 PolarHBondContact O-SG 3.29Å; V316-C319 PolarHBondContact O-N 2.85Å; M317-C319 VanDerWaalsContact C-N 3.35Å; M317-C319 PolarHBondContact O-N 2.94Å; C319-S322 WeakPolarHBondContact O-CB 3.31Å; C319-S322 PolarHBondContact O-N 3.17Å; C319-V323 WeakPolarHBondContact O-CG2 3.44Å; C319-V323 PolarHBondContact O-N 3.18Å; C319-I341 HydrophobicContact CB-CG2 4.34Å
320	L	91.9	Very high	87.1	Confident	103 Å²	103	56.4 Å²	56.4	54%	0.539	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-48.7	178.2	-71.8	173.8	0	0	0	111.7	V316 M317 L318 S322 V323 L324	V316-L320 HydrophobicContact CG1-CD1 3.92Å; V316-L320 HydrophobicContact CG1-CG 4.29Å; V316-L320 VanDerWaalsContact O-CG 3.32Å; V316-L320 WeakPolarHBondContact O-CG 3.46Å; V316-L320 PolarHBondContact O-N 2.91Å; M317-L320 PolarHBondContact O-N 3.22Å; M317-L320 HydrophobicContact SD-CD1 4.37Å; L318-L320 PolarHBondContact O-N 2.73Å; L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.38Å; L320-V323 PolarHBondContact O-N 3.38Å; L320-L324 VanDerWaalsContact O-CB 3.28Å; L320-L324 WeakPolarHBondContact O-CB 3.37Å; L320-L324 PolarHBondContact O-N 3.03Å
321	F	90.6	Very high	86.2	Confident	10 Å²	10	61.2 Å²	61.2	4%	0.044	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-37.5	176.5	-75.3	-59.5	0	0	0	112	M317 L318 V323 L324 I325 L351 I369 V372 L373 A376	M317-F321 HydrophobicContact CB-CD2 4.45Å; M317-F321 HydrophobicContact CB-CE2 4.48Å; M317-F321 HydrophobicContact CE-CD2 4.15Å; M317-F321 HydrophobicContact CE-CE2 3.33Å; M317-F321 HydrophobicContact CE-CZ 3.73Å; M317-F321 WeakPolarHBondContact O-CB 3.4Å; M317-F321 WeakPolarHBondContact O-CD2 3.39Å; M317-F321 PolarHBondContact O-N 3.23Å; L318-F321 PolarHBondContact O-N 2.93Å; F321-V323 PolarHBondContact O-N 3.16Å; F321-L324 PolarHBondContact O-N 3.36Å; F321-I325 WeakPolarHBondContact O-CB 3.18Å; F321-I325 WeakPolarHBondContact O-CG1 3.36Å; F321-I325 PolarHBondContact O-N 3.3Å; F321-L351 HydrophobicContact CE2-CD1 4.5Å; F321-I369 HydrophobicContact CD1-CG2 4.36Å; F321-V372 HydrophobicContact CE1-CG1 4.09Å; F321-V372 HydrophobicContact CZ-CG1 4.05Å; F321-L373 HydrophobicContact CB-CD1 4.21Å; F321-L373 HydrophobicContact CD1-CB 4.26Å; F321-L373 HydrophobicContact CD1-CD1 4.15Å; F321-L373 HydrophobicContact CD2-CD1 3.5Å; F321-L373 VanDerWaalsContact CD2-CD1 3.5Å; F321-L373 HydrophobicContact CE1-CB 4.07Å; F321-L373 HydrophobicContact CE1-CD1 4.38Å; F321-L373 HydrophobicContact CE2-CD1 3.73Å; F321-L373 HydrophobicContact CG-CD1 3.72Å; F321-L373 HydrophobicContact CZ-CB 4.28Å; F321-L373 HydrophobicContact CZ-CD1 4.19Å; F321-A376 HydrophobicContact CE2-CB 4.15Å; F321-A376 HydrophobicContact CZ-CB 4.21Å
322	S	89.9	Confident	85.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-57.5	-49.6	174.3	-69.7	0	0	0	0	111.8	L318 C319 L320 I326 I341 N344 S347	L318-S322 WeakPolarHBondContact O-CB 3.45Å; L318-S322 PolarHBondContact O-N 3.34Å; L318-S322 PolarHBondContact O-OG 3.1Å; C319-S322 WeakPolarHBondContact O-CB 3.31Å; C319-S322 PolarHBondContact O-N 3.17Å; L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.38Å; S322-I326 WeakPolarHBondContact O-CB 3.48Å; S322-I326 WeakPolarHBondContact O-CD1 3.07Å; S322-I326 WeakPolarHBondContact O-CG1 3.39Å; S322-I326 PolarHBondContact O-N 3.45Å; S322-I341 WeakPolarHBondContact CB-O 3.34Å; S322-I341 PolarHBondContact OG-O 3.35Å; S322-N344 VanDerWaalsContact OG-CB 3.27Å; S322-N344 WeakPolarHBondContact OG-CB 3.45Å; S322-S347 PolarHBondContact OG-OG 3.37Å
323	V	88.5	Confident	83.8	Confident	51 Å²	51	64.1 Å²	64.1	31%	0.309	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-46.8	177.9	171.4	0	0	0	0	110.5	C319 L320 F321 I325 I326 Y327 L336 I341	C319-V323 WeakPolarHBondContact O-CG2 3.44Å; C319-V323 PolarHBondContact O-N 3.18Å; L320-V323 PolarHBondContact O-N 3.38Å; F321-V323 PolarHBondContact O-N 3.16Å; V323-I325 PolarHBondContact O-N 3.06Å; V323-I326 PolarHBondContact O-N 3.07Å; V323-Y327 VanDerWaalsContact O-CB 3.24Å; V323-Y327 WeakPolarHBondContact O-CB 3.49Å; V323-Y327 PolarHBondContact O-N 2.82Å; V323-L336 HydrophobicContact CG1-CD2 4.44Å; V323-I341 HydrophobicContact CG2-CD1 4.08Å; V323-I341 HydrophobicContact CG2-CG1 4.21Å; V323-I341 HydrophobicContact CG2-CG2 4.14Å
324	L	87.6	Confident	82.4	Confident	73 Å²	73	68.6 Å²	68.6	38%	0.382	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-39.2	-176.4	-169.6	57.6	0	0	0	112.4	L320 F321 T328 I369	L320-L324 VanDerWaalsContact O-CB 3.28Å; L320-L324 WeakPolarHBondContact O-CB 3.37Å; L320-L324 PolarHBondContact O-N 3.03Å; F321-L324 PolarHBondContact O-N 3.36Å; L324-T328 WeakPolarHBondContact O-CB 3.33Å; L324-T328 PolarHBondContact O-N 3.48Å; L324-T328 VanDerWaalsContact O-N 3.11Å; L324-T328 PolarHBondContact O-OG1 3.06Å; L324-I369 HydrophobicContact CD1-CD1 3.88Å; L324-I369 HydrophobicContact CD1-CG1 4.31Å; L324-I369 HydrophobicContact CD2-CB 4.35Å; L324-I369 HydrophobicContact CD2-CD1 4.09Å; L324-I369 HydrophobicContact CD2-CG1 3.66Å; L324-I369 HydrophobicContact CD2-CG2 3.83Å; L324-I369 HydrophobicContact CG-CB 4.49Å; L324-I369 HydrophobicContact CG-CD1 3.52Å; L324-I369 HydrophobicContact CG-CG1 3.7Å; L324-I369 HydrophobicContact CG-CG2 3.95Å
325	I	86.8	Confident	81.2	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-68	-46.4	175.4	-69	169	0	0	0	111	F321 V323 T328 Q329 K346 I369 L373	F321-I325 WeakPolarHBondContact O-CB 3.18Å; F321-I325 WeakPolarHBondContact O-CG1 3.36Å; F321-I325 PolarHBondContact O-N 3.3Å; V323-I325 PolarHBondContact O-N 3.06Å; I325-T328 PolarHBondContact O-N 3.02Å; I325-Q329 HydrophobicContact CG2-CG 4.48Å; I325-Q329 WeakPolarHBondContact O-CB 3.33Å; I325-Q329 WeakPolarHBondContact O-CG 3.31Å; I325-Q329 PolarHBondContact O-N 2.71Å; I325-K346 HydrophobicContact CG2-CD 4.4Å; I325-I369 HydrophobicContact CG1-CG2 4.04Å; I325-L373 HydrophobicContact CD1-CD2 4.2Å
326	I	84.2	Confident	80.2	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.072	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-46.7	-179.7	-68.5	165.3	0	0	0	110.6	S322 V323 T328 Q329 H330 N335 L336 N340 I341	S322-I326 WeakPolarHBondContact O-CB 3.48Å; S322-I326 WeakPolarHBondContact O-CD1 3.07Å; S322-I326 WeakPolarHBondContact O-CG1 3.39Å; S322-I326 PolarHBondContact O-N 3.45Å; V323-I326 PolarHBondContact O-N 3.07Å; I326-T328 PolarHBondContact O-N 2.97Å; I326-Q329 PolarHBondContact O-N 3.35Å; I326-H330 PolarHBondContact O-N 2.98Å; I326-H330 VanDerWaalsContact O-N 3.14Å; I326-N335 HydrophobicContact CG2-CB 4.38Å; I326-L336 HydrophobicContact CB-CD2 4.3Å; I326-L336 HydrophobicContact CG2-CD2 3.92Å; I326-N340 HydrophobicContact CD1-CB 4.16Å; I326-I341 HydrophobicContact CD1-CG1 4.39Å
327	Y	82.3	Confident	79.6	Confident	99 Å²	99	66.7 Å²	66.7	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-46.4	178.8	178.5	-107.9	0	0	0	111.7	V323 Q329 L331 W333	V323-Y327 VanDerWaalsContact O-CB 3.24Å; V323-Y327 WeakPolarHBondContact O-CB 3.49Å; V323-Y327 PolarHBondContact O-N 2.82Å; Y327-Q329 PolarHBondContact O-N 2.92Å; Y327-L331 VanDerWaalsContact O-CA 3.27Å; Y327-L331 WeakPolarHBondContact O-CA 3.29Å; Y327-L331 PolarHBondContact O-N 2.99Å; Y327-W333 AromaticContact CD2-NE1 3.7Å; Y327-W333 AromaticContact CE2-CD1 3.78Å; Y327-W333 AromaticContact CE2-CE2 3.94Å; Y327-W333 HydrophobicContact CE2-CZ2 4.43Å; Y327-W333 AromaticContact CE2-NE1 3.22Å
328	T	80.3	Confident	79	Confident	23 Å²	23	70.5 Å²	70.5	14%	0.141	35%	0.35	C	S	.	.	H	α-helix	trans	-74.7	-25.6	-175.9	-48.8	0	0	0	0	113	L324 I325 I326 S363 H365 L366 I369	L324-T328 WeakPolarHBondContact O-CB 3.33Å; L324-T328 PolarHBondContact O-N 3.48Å; L324-T328 VanDerWaalsContact O-N 3.11Å; L324-T328 PolarHBondContact O-OG1 3.06Å; I325-T328 PolarHBondContact O-N 3.02Å; I326-T328 PolarHBondContact O-N 2.97Å; T328-S363 WeakPolarHBondContact CG2-OG 3.39Å; T328-H365 HydrophobicContact CG2-CB 4Å; T328-L366 HydrophobicContact CG2-CB 3.93Å; T328-I369 HydrophobicContact CG2-CD1 4.06Å; T328-I369 WeakPolarHBondContact OG1-CD1 3.25Å
329	Q	74.9	Confident	78.4	Confident	64 Å²	64	72.5 Å²	72.5	30%	0.299	37%	0.368	S	S	.	.	H	α-helix	trans	-79.7	-38.7	177.8	-78	176.8	5.9	0	0	113.1	I325 I326 Y327 K346 L366	I325-Q329 HydrophobicContact CG2-CG 4.48Å; I325-Q329 WeakPolarHBondContact O-CB 3.33Å; I325-Q329 WeakPolarHBondContact O-CG 3.31Å; I325-Q329 PolarHBondContact O-N 2.71Å; I326-Q329 PolarHBondContact O-N 3.35Å; Y327-Q329 PolarHBondContact O-N 2.92Å; Q329-K346 VanDerWaalsContact NE2-NZ 3.2Å; Q329-L366 HydrophobicContact CG-CD1 4.33Å; Q329-L366 HydrophobicContact CG-CD2 4.12Å
330	H	69.8	Low	77.9	Confident	106 Å²	106	74.7 Å²	74.7	49%	0.491	38%	0.378	S	S	.	.	H	α-helix	trans	-104.6	-8.4	-175.4	-69.9	-69.3	0	0	0	114.2	I326 S332	I326-H330 PolarHBondContact O-N 2.98Å; I326-H330 VanDerWaalsContact O-N 3.14Å; H330-S332 WeakPolarHBondContact O-CB 3.36Å; H330-S332 PolarHBondContact O-N 3.05Å
331	L	67.3	Low	77.5	Confident	145 Å²	145	71.3 Å²	71.3	76%	0.759	36%	0.36	S	S	*	.	S	Bend	trans	47.2	29.5	-175.8	-142.3	76	0	0	0	112.6	Y327	Y327-L331 VanDerWaalsContact O-CA 3.27Å; Y327-L331 WeakPolarHBondContact O-CA 3.29Å; Y327-L331 PolarHBondContact O-N 2.99Å
332	S	63.4	Low	77.2	Confident	43 Å²	43	74.7 Å²	74.7	30%	0.301	38%	0.378	S	S	.	.	S	Bend	trans	-154	138.6	-170.2	-171.6	0	0	0	0	110.4	H330 K334	H330-S332 WeakPolarHBondContact O-CB 3.36Å; H330-S332 PolarHBondContact O-N 3.05Å; S332-K334 VanDerWaalsContact C-N 3.26Å; S332-K334 PolarHBondContact O-N 2.95Å
333	W	62.9	Low	76.8	Confident	180 Å²	180	81.2 Å²	81.2	68%	0.682	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-80.1	-4.3	179	-69.5	69.8	0	0	0	113.4	Y327 N335 L336	Y327-W333 AromaticContact CD2-NE1 3.7Å; Y327-W333 AromaticContact CE2-CD1 3.78Å; Y327-W333 AromaticContact CE2-CE2 3.94Å; Y327-W333 HydrophobicContact CE2-CZ2 4.43Å; Y327-W333 AromaticContact CE2-NE1 3.22Å; W333-N335 VanDerWaalsContact C-N 3.26Å; W333-N335 PolarHBondContact O-N 3.13Å; W333-L336 HydrophobicContact CB-CD1 4.15Å; W333-L336 HydrophobicContact CD2-CD1 3.91Å; W333-L336 HydrophobicContact CE3-CD1 3.33Å; W333-L336 HydrophobicContact CG-CD1 4.3Å; W333-L336 HydrophobicContact CZ3-CD1 3.98Å; W333-L336 PolarHBondContact O-N 3.45Å
334	K	61.7	Low	76.8	Confident	189 Å²	189	79.8 Å²	79.8	82%	0.822	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-67.8	-17.3	-171.1	-69.7	-175.6	177.2	-177.4	0	115	S332	S332-K334 VanDerWaalsContact C-N 3.26Å; S332-K334 PolarHBondContact O-N 2.95Å
335	N	64.3	Low	76.7	Confident	73 Å²	73	79.7 Å²	79.7	39%	0.39	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-102.8	9.1	-177.5	-77.3	-9.7	0	0	0	114.6	I326 W333 T337 N340	I326-N335 HydrophobicContact CG2-CB 4.38Å; W333-N335 VanDerWaalsContact C-N 3.26Å; W333-N335 PolarHBondContact O-N 3.13Å; N335-T337 VanDerWaalsContact C-N 3.27Å; N335-T337 PolarHBondContact O-N 3.13Å; N335-N340 PolarHBondContact O-ND2 2.93Å
336	L	70.5	Confident	76.7	Confident	47 Å²	47	82.2 Å²	82.2	25%	0.246	41%	0.414	C	S	.	.			trans	-79.7	70.4	178.5	-67.1	169.9	0	0	0	111.1	V323 I326 W333 I341	V323-L336 HydrophobicContact CG1-CD2 4.44Å; I326-L336 HydrophobicContact CB-CD2 4.3Å; I326-L336 HydrophobicContact CG2-CD2 3.92Å; W333-L336 HydrophobicContact CB-CD1 4.15Å; W333-L336 HydrophobicContact CD2-CD1 3.91Å; W333-L336 HydrophobicContact CE3-CD1 3.33Å; W333-L336 HydrophobicContact CG-CD1 4.3Å; W333-L336 HydrophobicContact CZ3-CD1 3.98Å; W333-L336 PolarHBondContact O-N 3.45Å; L336-I341 HydrophobicContact CB-CD1 4.35Å; L336-I341 HydrophobicContact CD2-CD1 4.12Å; L336-I341 HydrophobicContact CD2-CG1 4.26Å
337	T	80.9	Confident	76.8	Confident	69 Å²	69	81.6 Å²	81.6	42%	0.423	41%	0.41	S	S	.	.			trans	-85.4	149.2	166	65.5	0	0	0	0	109.8	N335 A339 N340 I341	N335-T337 VanDerWaalsContact C-N 3.27Å; N335-T337 PolarHBondContact O-N 3.13Å; T337-A339 PolarHBondContact O-N 2.95Å; T337-N340 PolarHBondContact O-N 3.19Å; T337-N340 WeakPolarHBondContact OG1-CB 3.08Å; T337-N340 PolarHBondContact OG1-N 3.03Å; T337-N340 PolarHBondContact OG1-ND2 3.04Å; T337-I341 WeakPolarHBondContact O-CG1 3.45Å; T337-I341 PolarHBondContact O-N 2.73Å; T337-I341 VanDerWaalsContact O-N 3.09Å
338	L	77.5	Confident	77.1	Confident	142 Å²	142	80.7 Å²	80.7	74%	0.743	41%	0.412	S	S	*	.	H	α-helix	trans	-55.8	-38.7	177.8	-174.9	66.6	0	0	0	111.5	I341 L342	L338-I341 PolarHBondContact O-N 3.34Å; L338-L342 WeakPolarHBondContact O-CB 3.46Å; L338-L342 PolarHBondContact O-N 3.21Å
339	A	79.9	Confident	77.6	Confident	58 Å²	58	84 Å²	84	48%	0.479	42%	0.422	S	S	.	.	H	α-helix	trans	-62.5	-43.2	176.1	0	0	0	0	0	112.4	T337 I341 L343	T337-A339 PolarHBondContact O-N 2.95Å; A339-I341 VanDerWaalsContact C-N 3.29Å; A339-I341 PolarHBondContact O-N 3.19Å; A339-L343 WeakPolarHBondContact O-CB 3.14Å; A339-L343 PolarHBondContact O-N 3.17Å
340	N	81.2	Confident	78.2	Confident	77 Å²	77	81.2 Å²	81.2	41%	0.412	41%	0.411	S	S	.	.	H	α-helix	trans	-68.8	-27.3	178.3	-71.1	-16	0	0	0	113	I326 N335 T337 N344	I326-N340 HydrophobicContact CD1-CB 4.16Å; N335-N340 PolarHBondContact O-ND2 2.93Å; T337-N340 PolarHBondContact O-N 3.19Å; T337-N340 WeakPolarHBondContact OG1-CB 3.08Å; T337-N340 PolarHBondContact OG1-N 3.03Å; T337-N340 PolarHBondContact OG1-ND2 3.04Å; N340-N344 WeakPolarHBondContact O-CB 3.36Å
341	I	83.9	Confident	79.2	Confident	33 Å²	33	76.6 Å²	76.6	17%	0.169	39%	0.39	C	S	.	.	H	α-helix	trans	-79.1	-45.5	177.5	-65	168.5	0	0	0	110.4	C319 S322 V323 I326 L336 T337 L338 A339	C319-I341 HydrophobicContact CB-CG2 4.34Å; S322-I341 WeakPolarHBondContact CB-O 3.34Å; S322-I341 PolarHBondContact OG-O 3.35Å; V323-I341 HydrophobicContact CG2-CD1 4.08Å; V323-I341 HydrophobicContact CG2-CG1 4.21Å; V323-I341 HydrophobicContact CG2-CG2 4.14Å; I326-I341 HydrophobicContact CD1-CG1 4.39Å; L336-I341 HydrophobicContact CB-CD1 4.35Å; L336-I341 HydrophobicContact CD2-CD1 4.12Å; L336-I341 HydrophobicContact CD2-CG1 4.26Å; T337-I341 WeakPolarHBondContact O-CG1 3.45Å; T337-I341 PolarHBondContact O-N 2.73Å; T337-I341 VanDerWaalsContact O-N 3.09Å; L338-I341 PolarHBondContact O-N 3.34Å; A339-I341 VanDerWaalsContact C-N 3.29Å; A339-I341 PolarHBondContact O-N 3.19Å
342	L	83.4	Confident	80.2	Confident	81 Å²	81	74.6 Å²	74.6	42%	0.424	38%	0.379	S	S	.	.	H	α-helix	trans	-73.7	-36.7	-176.3	-166.7	75.3	0	0	0	112.7	F315 L338	F315-L342 HydrophobicContact CE2-CD1 3.53Å; F315-L342 HydrophobicContact CZ-CD1 3.49Å; F315-L342 VanDerWaalsContact CZ-CD1 3.49Å; L338-L342 WeakPolarHBondContact O-CB 3.46Å; L338-L342 PolarHBondContact O-N 3.21Å
343	L	82.1	Confident	81.2	Confident	136 Å²	136	75 Å²	75	71%	0.712	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.3	34	-175.7	-60.8	171.9	0	0	0	112.4	A339 D345	A339-L343 WeakPolarHBondContact O-CB 3.14Å; A339-L343 PolarHBondContact O-N 3.17Å; L343-D345 PolarHBondContact O-N 3.01Å
344	N	87.3	Confident	82.5	Confident	21 Å²	21	71.7 Å²	71.7	11%	0.112	38%	0.382	C	S	.	.			trans	-72.7	104.6	175.8	-169.6	-19.7	0	0	0	110.4	S322 N340 K346 S347 L348	S322-N344 VanDerWaalsContact OG-CB 3.27Å; S322-N344 WeakPolarHBondContact OG-CB 3.45Å; N340-N344 WeakPolarHBondContact O-CB 3.36Å; N344-K346 PolarHBondContact O-N 3.33Å; N344-K346 PolarHBondContact OD1-N 3.49Å; N344-K346 VanDerWaalsContact OD1-N 3.13Å; N344-S347 WeakPolarHBondContact CB-OG 3.34Å; N344-S347 PolarHBondContact O-N 3.37Å; N344-S347 PolarHBondContact O-OG 3.46Å; N344-S347 VanDerWaalsContact O-OG 3.09Å; N344-L348 PolarHBondContact O-N 2.82Å
345	D	85.5	Confident	83.7	Confident	72 Å²	72	68 Å²	68	39%	0.385	38%	0.38	S	S	.	.	H	α-helix	trans	-54.7	-36.8	179.9	-177.8	72.5	0	0	0	113	L343 R349	L343-D345 PolarHBondContact O-N 3.01Å; D345-R349 VanDerWaalsContact O-CB 3.3Å; D345-R349 WeakPolarHBondContact O-CB 3.31Å; D345-R349 VanDerWaalsContact O-CG 3.28Å; D345-R349 WeakPolarHBondContact O-CG 3.21Å; D345-R349 PolarHBondContact O-N 3.09Å; D345-R349 IonicContact OD1-CZ 2.99Å; D345-R349 IonicContact OD1-NE 3.15Å; D345-R349 PolarHBondContact OD1-NE 3.36Å; D345-R349 IonicContact OD1-NH2 2.79Å; D345-R349 PolarHBondContact OD1-NH2 2.69Å; D345-R349 IonicContact OD2-CZ 2.73Å; D345-R349 VanDerWaalsContact OD2-CZ 3.25Å; D345-R349 IonicContact OD2-NE 2.64Å; D345-R349 PolarHBondContact OD2-NE 3.35Å; D345-R349 VanDerWaalsContact OD2-NE 3.09Å; D345-R349 IonicContact OD2-NH2 3.93Å; D345-R349 PolarHBondContact OD2-NH2 3.16Å
346	K	86.7	Confident	84.7	Confident	55 Å²	55	66.5 Å²	66.5	24%	0.239	37%	0.37	C	S	.	.	H	α-helix	trans	-70.9	-41.3	-177.7	-62.3	177.9	-174.6	171.5	0	112.5	I325 Q329 N344 G350 F356	I325-K346 HydrophobicContact CG2-CD 4.4Å; Q329-K346 VanDerWaalsContact NE2-NZ 3.2Å; N344-K346 PolarHBondContact O-N 3.33Å; N344-K346 PolarHBondContact OD1-N 3.49Å; N344-K346 VanDerWaalsContact OD1-N 3.13Å; K346-G350 PolarHBondContact O-N 3.07Å; K346-F356 HydrophobicContact CB-CD2 4.19Å; K346-F356 HydrophobicContact CB-CE2 4.38Å; K346-F356 HydrophobicContact CG-CD2 4.15Å
347	S	87.8	Confident	85.3	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-74.2	-39.4	179.1	63.8	0	0	0	0	111.1	S322 N344 G350 L351	S322-S347 PolarHBondContact OG-OG 3.37Å; N344-S347 WeakPolarHBondContact CB-OG 3.34Å; N344-S347 PolarHBondContact O-N 3.37Å; N344-S347 PolarHBondContact O-OG 3.46Å; N344-S347 VanDerWaalsContact O-OG 3.09Å; S347-G350 PolarHBondContact O-N 3.23Å; S347-L351 VanDerWaalsContact O-CB 3.29Å; S347-L351 WeakPolarHBondContact O-CB 3.5Å; S347-L351 PolarHBondContact O-N 3.18Å
348	L	88.6	Confident	85.3	Confident	81 Å²	81	70.2 Å²	70.2	42%	0.424	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-53	177	-178.2	66.4	0	0	0	111.5	L318 N344 G350 L351 L352	L318-L348 HydrophobicContact CD1-CB 4.09Å; L318-L348 HydrophobicContact CD1-CD1 3.55Å; L318-L348 HydrophobicContact CD1-CG 4.43Å; N344-L348 PolarHBondContact O-N 2.82Å; L348-G350 VanDerWaalsContact C-N 3.33Å; L348-G350 PolarHBondContact O-N 2.64Å; L348-L351 PolarHBondContact O-N 2.91Å; L348-L352 HydrophobicContact CD1-CD1 4.1Å; L348-L352 HydrophobicContact CG-CD1 4.14Å; L348-L352 WeakPolarHBondContact O-CB 3.34Å; L348-L352 VanDerWaalsContact O-CG 3.32Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 3.05Å
349	R	89.3	Confident	85.5	Confident	92 Å²	92	65.3 Å²	65.3	35%	0.347	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-43.7	176.5	-71.5	-175	-163.4	-164.5	9.6	111.6	D345 L351 L352 G353 Q354 F356	D345-R349 VanDerWaalsContact O-CB 3.3Å; D345-R349 WeakPolarHBondContact O-CB 3.31Å; D345-R349 VanDerWaalsContact O-CG 3.28Å; D345-R349 WeakPolarHBondContact O-CG 3.21Å; D345-R349 PolarHBondContact O-N 3.09Å; D345-R349 IonicContact OD1-CZ 2.99Å; D345-R349 IonicContact OD1-NE 3.15Å; D345-R349 PolarHBondContact OD1-NE 3.36Å; D345-R349 IonicContact OD1-NH2 2.79Å; D345-R349 PolarHBondContact OD1-NH2 2.69Å; D345-R349 IonicContact OD2-CZ 2.73Å; D345-R349 VanDerWaalsContact OD2-CZ 3.25Å; D345-R349 IonicContact OD2-NE 2.64Å; D345-R349 PolarHBondContact OD2-NE 3.35Å; D345-R349 VanDerWaalsContact OD2-NE 3.09Å; D345-R349 IonicContact OD2-NH2 3.93Å; D345-R349 PolarHBondContact OD2-NH2 3.16Å; R349-L351 PolarHBondContact O-N 3.46Å; R349-L352 CarbonylContact O-C 3.52Å; R349-L352 PolarHBondContact O-N 3.3Å; R349-G353 PolarHBondContact O-N 3.05Å; R349-G353 VanDerWaalsContact O-N 3.12Å; R349-Q354 CarbonylContact C-O 3.59Å; R349-Q354 HydrophobicContact CB-CB 3.95Å; R349-Q354 HydrophobicContact CG-CB 4.33Å; R349-Q354 WeakPolarHBondContact O-CA 3.42Å; R349-Q354 PolarHBondContact O-N 3.11Å; R349-F356 HydrophobicContact CB-CB 4.34Å; R349-F356 HydrophobicContact CB-CD1 4.4Å
350	G	89.2	Confident	85.4	Confident	6 Å²	6	68.5 Å²	68.5	6%	0.062	38%	0.381	C	S	.	.	H	α-helix	trans	-62.7	-39	179.4	0	0	0	0	0	113.3	K346 S347 L348 G353 S377	K346-G350 PolarHBondContact O-N 3.07Å; S347-G350 PolarHBondContact O-N 3.23Å; L348-G350 VanDerWaalsContact C-N 3.33Å; L348-G350 PolarHBondContact O-N 2.64Å; G350-G353 PolarHBondContact O-N 3.46Å; G350-S377 WeakPolarHBondContact O-CB 3.22Å; G350-S377 PolarHBondContact O-OG 3.44Å
351	L	89.6	Confident	85.3	Confident	9 Å²	9	72.2 Å²	72.2	5%	0.047	40%	0.401	C	S	.	.	H	α-helix	trans	-70.9	-36.8	177.4	-163.6	65.2	0	0	0	111.8	I314 L318 F321 S347 L348 R349 G353 L373 S377 I380	I314-L351 HydrophobicContact CG2-CD2 3.67Å; L318-L351 HydrophobicContact CB-CD2 4.09Å; F321-L351 HydrophobicContact CE2-CD1 4.5Å; S347-L351 VanDerWaalsContact O-CB 3.29Å; S347-L351 WeakPolarHBondContact O-CB 3.5Å; S347-L351 PolarHBondContact O-N 3.18Å; L348-L351 PolarHBondContact O-N 2.91Å; R349-L351 PolarHBondContact O-N 3.46Å; L351-G353 PolarHBondContact O-N 2.91Å; L351-L373 HydrophobicContact CB-CD1 4.42Å; L351-L373 HydrophobicContact CD1-CD1 4.35Å; L351-S377 WeakPolarHBondContact O-CB 3.43Å; L351-S377 PolarHBondContact O-OG 2.96Å; L351-I380 HydrophobicContact CD1-CD1 3.59Å; L351-I380 HydrophobicContact CG-CD1 4.15Å
352	L	87.6	Confident	85.2	Confident	103 Å²	103	72.1 Å²	72.1	54%	0.539	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	1	174.9	-66.1	174.5	0	0	0	114.2	L348 R349 Q354	L348-L352 HydrophobicContact CD1-CD1 4.1Å; L348-L352 HydrophobicContact CG-CD1 4.14Å; L348-L352 WeakPolarHBondContact O-CB 3.34Å; L348-L352 VanDerWaalsContact O-CG 3.32Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 3.05Å; R349-L352 CarbonylContact O-C 3.52Å; R349-L352 PolarHBondContact O-N 3.3Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 HydrophobicContact CB-CG 4.36Å; L352-Q354 PolarHBondContact O-N 3.12Å
353	G	85.8	Confident	85.3	Confident	52 Å²	52	70.6 Å²	70.6	54%	0.536	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	14.8	178.3	0	0	0	0	0	114	R349 G350 L351 S377	R349-G353 PolarHBondContact O-N 3.05Å; R349-G353 VanDerWaalsContact O-N 3.12Å; G350-G353 PolarHBondContact O-N 3.46Å; L351-G353 PolarHBondContact O-N 2.91Å; G353-S377 WeakPolarHBondContact CA-OG 3.4Å; G353-S377 PolarHBondContact N-OG 3.26Å
354	Q	88.8	Confident	85.5	Confident	110 Å²	110	73 Å²	73	51%	0.514	40%	0.403	S	S	.	.			trans	-88.2	142.9	177.8	-63.1	-177.2	-3.9	0	0	111.4	R349 L352	R349-Q354 CarbonylContact C-O 3.59Å; R349-Q354 HydrophobicContact CB-CB 3.95Å; R349-Q354 HydrophobicContact CG-CB 4.33Å; R349-Q354 WeakPolarHBondContact O-CA 3.42Å; R349-Q354 PolarHBondContact O-N 3.11Å; L352-Q354 VanDerWaalsContact C-N 3.28Å; L352-Q354 HydrophobicContact CB-CG 4.36Å; L352-Q354 PolarHBondContact O-N 3.12Å
355	S	87.1	Confident	85.4	Confident	112 Å²	112	78.4 Å²	78.4	78%	0.783	43%	0.428	S	S	*	.			trans	-67.2	140.6	174	60.3	0	0	0	0	111.6
356	F	87	Confident	85.5	Confident	40 Å²	40	75.2 Å²	75.2	18%	0.175	41%	0.411	C	S	.	.			trans	-135.9	154.9	174.3	60.7	-95.8	0	0	0	110.8	K346 R349 F358 I370 L373	K346-F356 HydrophobicContact CB-CD2 4.19Å; K346-F356 HydrophobicContact CB-CE2 4.38Å; K346-F356 HydrophobicContact CG-CD2 4.15Å; R349-F356 HydrophobicContact CB-CB 4.34Å; R349-F356 HydrophobicContact CB-CD1 4.4Å; F356-F358 PolarHBondContact O-N 3.41Å; F356-I370 HydrophobicContact CE2-CD1 4.27Å; F356-I370 HydrophobicContact CZ-CD1 4.33Å; F356-I370 HydrophobicContact CZ-CG1 4.32Å; F356-I370 HydrophobicContact CZ-CG2 4.16Å; F356-L373 HydrophobicContact CE1-CD2 4.35Å; F356-L373 HydrophobicContact CZ-CD2 4.42Å
357	P	83.1	Confident	85.5	Confident	97 Å²	97	78.4 Å²	78.4	63%	0.63	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-65.3	124.2	-177.3	25.3	-33.9	0	0	0	111.3
358	F	80.8	Confident	85.6	Confident	98 Å²	98	83.6 Å²	83.6	43%	0.43	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-95.9	136.7	-177.7	-171.8	-91.7	0	0	0	110.7	F356 P362 K367 I370	F356-F358 PolarHBondContact O-N 3.41Å; F358-P362 HydrophobicContact CE1-CB 3.68Å; F358-P362 HydrophobicContact CE1-CG 3.45Å; F358-P362 VanDerWaalsContact CE1-CG 3.45Å; F358-P362 HydrophobicContact CZ-CB 3.54Å; F358-P362 HydrophobicContact CZ-CG 3.65Å; F358-K367 HydrophobicContact CZ-CG 4.31Å; F358-I370 HydrophobicContact CD2-CD1 3.69Å; F358-I370 HydrophobicContact CE2-CD1 3.35Å; F358-I370 HydrophobicContact CE2-CG2 4.39Å; F358-I370 HydrophobicContact CZ-CD1 4.48Å
359	P	81.6	Confident	85.7	Confident	39 Å²	39	80.5 Å²	80.5	25%	0.253	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-66.7	143.7	-177.2	25.3	-32.1	0	0	0	111.9	N361 P362 L366	P359-N361 VanDerWaalsContact C-N 3.35Å; P359-N361 PolarHBondContact O-N 3.45Å; P359-P362 HydrophobicContact CG-CB 4.49Å; P359-P362 WeakPolarHBondContact O-CD 3.38Å; P359-L366 HydrophobicContact CG-CD2 3.68Å
360	P	76.3	Confident	85.7	Confident	125 Å²	125	77.4 Å²	77.4	81%	0.812	43%	0.425	S	S	*	.	S	Bend	trans	-66	-30.5	-172.6	23.3	-32.9	0	0	0	114.1
361	N	80.8	Confident	85.7	Confident	154 Å²	154	84 Å²	84	82%	0.824	45%	0.453	S	S	*	.	S	Bend	trans	-125	75.5	179.7	-70.3	-34.5	0	0	0	111.5	P359	P359-N361 VanDerWaalsContact C-N 3.35Å; P359-N361 PolarHBondContact O-N 3.45Å
362	P	81.7	Confident	85.8	Confident	31 Å²	31	86.9 Å²	86.9	20%	0.201	47%	0.47	C	S	.	.			trans	-77.6	148.1	-178	36.9	-43.6	0	0	0	112.8	F358 P359 L366 K367	F358-P362 HydrophobicContact CE1-CB 3.68Å; F358-P362 HydrophobicContact CE1-CG 3.45Å; F358-P362 VanDerWaalsContact CE1-CG 3.45Å; F358-P362 HydrophobicContact CZ-CB 3.54Å; F358-P362 HydrophobicContact CZ-CG 3.65Å; P359-P362 HydrophobicContact CG-CB 4.49Å; P359-P362 WeakPolarHBondContact O-CD 3.38Å; P362-L366 HydrophobicContact CB-CD2 4.08Å; P362-K367 HydrophobicContact CB-CG 4.16Å; P362-K367 HydrophobicContact CG-CD 4.3Å; P362-K367 HydrophobicContact CG-CG 4Å
363	S	85.3	Confident	86.1	Confident	50 Å²	50	82 Å²	82	35%	0.35	45%	0.445	S	S	.	.			trans	-70.6	157	166.7	70.2	0	0	0	0	111.4	T328 H365 L366 K367	T328-S363 WeakPolarHBondContact CG2-OG 3.39Å; S363-H365 PolarHBondContact O-N 2.63Å; S363-L366 PolarHBondContact O-N 3.35Å; S363-L366 VanDerWaalsContact O-N 3.15Å; S363-L366 WeakPolarHBondContact OG-CB 3.33Å; S363-L366 PolarHBondContact OG-N 3.31Å; S363-K367 PolarHBondContact O-N 3.31Å; S363-K367 VanDerWaalsContact O-N 3.14Å
364	K	86	Confident	86.3	Confident	185 Å²	185	83 Å²	83	80%	0.804	44%	0.443	S	S	*	.	H	α-helix	trans	-57.6	-37.4	175.8	-66.9	-177.3	-179	179.2	0	112	K367 L368	K364-K367 PolarHBondContact O-N 2.73Å; K364-L368 PolarHBondContact O-N 3.28Å; K364-L368 VanDerWaalsContact O-N 3.14Å
365	H	85.8	Confident	86.4	Confident	135 Å²	135	83.8 Å²	83.8	63%	0.625	45%	0.445	S	S	*	.	H	α-helix	trans	-65.1	-42.7	176.2	-61.1	-70.4	0	0	0	112.1	T328 S363 K367 L368 I369	T328-H365 HydrophobicContact CG2-CB 4Å; S363-H365 PolarHBondContact O-N 2.63Å; H365-K367 VanDerWaalsContact C-N 3.32Å; H365-K367 PolarHBondContact O-N 2.74Å; H365-L368 PolarHBondContact O-N 3.38Å; H365-I369 WeakPolarHBondContact O-CD1 3.23Å; H365-I369 WeakPolarHBondContact O-CG1 3.39Å; H365-I369 PolarHBondContact O-N 2.92Å
366	L	86.8	Confident	86.6	Confident	6 Å²	6	79.2 Å²	79.2	3%	0.031	41%	0.414	C	S	.	.	H	α-helix	trans	-63.2	-38.5	177.4	-176.5	61.9	0	0	0	111.9	T328 Q329 P359 P362 S363 I369 I370	T328-L366 HydrophobicContact CG2-CB 3.93Å; Q329-L366 HydrophobicContact CG-CD1 4.33Å; Q329-L366 HydrophobicContact CG-CD2 4.12Å; P359-L366 HydrophobicContact CG-CD2 3.68Å; P362-L366 HydrophobicContact CB-CD2 4.08Å; S363-L366 PolarHBondContact O-N 3.35Å; S363-L366 VanDerWaalsContact O-N 3.15Å; S363-L366 WeakPolarHBondContact OG-CB 3.33Å; S363-L366 PolarHBondContact OG-N 3.31Å; L366-I369 PolarHBondContact O-N 3.29Å; L366-I370 HydrophobicContact CD1-CD1 3.88Å; L366-I370 HydrophobicContact CD1-CG1 4.38Å; L366-I370 HydrophobicContact CG-CD1 3.92Å; L366-I370 WeakPolarHBondContact O-CG1 3.47Å; L366-I370 PolarHBondContact O-N 3.46Å
367	K	87.3	Confident	86.9	Confident	122 Å²	122	77.5 Å²	77.5	53%	0.53	41%	0.407	S	S	.	.	H	α-helix	trans	-60.6	-44.9	173.3	-66.7	-174.1	-175.9	-171.9	0	111.8	F358 P362 S363 K364 H365 I370 F371	F358-K367 HydrophobicContact CZ-CG 4.31Å; P362-K367 HydrophobicContact CB-CG 4.16Å; P362-K367 HydrophobicContact CG-CD 4.3Å; P362-K367 HydrophobicContact CG-CG 4Å; S363-K367 PolarHBondContact O-N 3.31Å; S363-K367 VanDerWaalsContact O-N 3.14Å; K364-K367 PolarHBondContact O-N 2.73Å; H365-K367 VanDerWaalsContact C-N 3.32Å; H365-K367 PolarHBondContact O-N 2.74Å; K367-I370 PolarHBondContact O-N 3.39Å; K367-F371 WeakPolarHBondContact O-CB 3.49Å; K367-F371 PolarHBondContact O-N 3.24Å
368	L	89.8	Confident	87.3	Confident	109 Å²	109	76.4 Å²	76.4	57%	0.571	40%	0.399	S	S	*	.	H	α-helix	trans	-63.3	-45.2	178.1	-176.7	69	0	0	0	111.8	K364 H365 I370 F371 V372	K364-L368 PolarHBondContact O-N 3.28Å; K364-L368 VanDerWaalsContact O-N 3.14Å; H365-L368 PolarHBondContact O-N 3.38Å; L368-I370 VanDerWaalsContact C-N 3.31Å; L368-I370 PolarHBondContact O-N 3.22Å; L368-F371 WeakPolarHBondContact O-CB 3.45Å; L368-F371 PolarHBondContact O-N 2.88Å; L368-V372 WeakPolarHBondContact O-CG2 3.35Å; L368-V372 PolarHBondContact O-N 2.97Å
369	I	90.5	Very high	87.8	Confident	15 Å²	15	76.6 Å²	76.6	8%	0.077	40%	0.402	C	S	.	.	H	α-helix	trans	-59.3	-44.7	178.8	-66.7	158	0	0	0	110.9	F321 L324 I325 T328 H365 L366 V372 L373	F321-I369 HydrophobicContact CD1-CG2 4.36Å; L324-I369 HydrophobicContact CD1-CD1 3.88Å; L324-I369 HydrophobicContact CD1-CG1 4.31Å; L324-I369 HydrophobicContact CD2-CB 4.35Å; L324-I369 HydrophobicContact CD2-CD1 4.09Å; L324-I369 HydrophobicContact CD2-CG1 3.66Å; L324-I369 HydrophobicContact CD2-CG2 3.83Å; L324-I369 HydrophobicContact CG-CB 4.49Å; L324-I369 HydrophobicContact CG-CD1 3.52Å; L324-I369 HydrophobicContact CG-CG1 3.7Å; L324-I369 HydrophobicContact CG-CG2 3.95Å; I325-I369 HydrophobicContact CG1-CG2 4.04Å; T328-I369 HydrophobicContact CG2-CD1 4.06Å; T328-I369 WeakPolarHBondContact OG1-CD1 3.25Å; H365-I369 WeakPolarHBondContact O-CD1 3.23Å; H365-I369 WeakPolarHBondContact O-CG1 3.39Å; H365-I369 PolarHBondContact O-N 2.92Å; L366-I369 PolarHBondContact O-N 3.29Å; I369-V372 PolarHBondContact O-N 2.84Å; I369-L373 WeakPolarHBondContact O-CB 3.38Å; I369-L373 PolarHBondContact O-N 3.27Å
370	I	88.4	Confident	88.2	Confident	27 Å²	27	76.9 Å²	76.9	14%	0.138	40%	0.401	C	S	.	.	H	α-helix	trans	-70.3	-33.8	179.7	-69.9	169.6	0	0	0	111.3	F356 F358 L366 K367 L368 L373 C374	F356-I370 HydrophobicContact CE2-CD1 4.27Å; F356-I370 HydrophobicContact CZ-CD1 4.33Å; F356-I370 HydrophobicContact CZ-CG1 4.32Å; F356-I370 HydrophobicContact CZ-CG2 4.16Å; F358-I370 HydrophobicContact CD2-CD1 3.69Å; F358-I370 HydrophobicContact CE2-CD1 3.35Å; F358-I370 HydrophobicContact CE2-CG2 4.39Å; F358-I370 HydrophobicContact CZ-CD1 4.48Å; L366-I370 HydrophobicContact CD1-CD1 3.88Å; L366-I370 HydrophobicContact CD1-CG1 4.38Å; L366-I370 HydrophobicContact CG-CD1 3.92Å; L366-I370 WeakPolarHBondContact O-CG1 3.47Å; L366-I370 PolarHBondContact O-N 3.46Å; K367-I370 PolarHBondContact O-N 3.39Å; L368-I370 VanDerWaalsContact C-N 3.31Å; L368-I370 PolarHBondContact O-N 3.22Å; I370-L373 PolarHBondContact O-N 3.05Å; I370-C374 WeakPolarHBondContact O-CB 3.4Å; I370-C374 PolarHBondContact O-N 2.89Å
371	F	90.2	Very high	88.8	Confident	145 Å²	145	73.8 Å²	73.8	64%	0.636	38%	0.38	S	S	*	.	H	α-helix	trans	-62.7	-45.7	171.7	-179	-96	0	0	0	111.8	K367 L368 C374 F375	K367-F371 WeakPolarHBondContact O-CB 3.49Å; K367-F371 PolarHBondContact O-N 3.24Å; L368-F371 WeakPolarHBondContact O-CB 3.45Å; L368-F371 PolarHBondContact O-N 2.88Å; F371-C374 WeakPolarHBondContact O-CB 3.45Å; F371-C374 PolarHBondContact O-N 3.01Å; F371-F375 PolarHBondContact O-N 3.34Å
372	V	92.2	Very high	89.3	Confident	69 Å²	69	69.6 Å²	69.6	42%	0.418	36%	0.36	S	S	.	.	H	α-helix	trans	-64.7	-39.8	175.9	175.9	0	0	0	0	111.3	F321 L368 I369 F375 A376	F321-V372 HydrophobicContact CE1-CG1 4.09Å; F321-V372 HydrophobicContact CZ-CG1 4.05Å; L368-V372 WeakPolarHBondContact O-CG2 3.35Å; L368-V372 PolarHBondContact O-N 2.97Å; I369-V372 PolarHBondContact O-N 2.84Å; V372-F375 PolarHBondContact O-N 3.44Å; V372-A376 WeakPolarHBondContact O-CB 3.38Å; V372-A376 PolarHBondContact O-N 3.04Å
373	L	91.9	Very high	89.7	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.01	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-43.6	174.1	179.3	65.9	0	0	0	111.7	F321 I325 L351 F356 I369 I370 A376 S377	F321-L373 HydrophobicContact CB-CD1 4.21Å; F321-L373 HydrophobicContact CD1-CB 4.26Å; F321-L373 HydrophobicContact CD1-CD1 4.15Å; F321-L373 HydrophobicContact CD2-CD1 3.5Å; F321-L373 VanDerWaalsContact CD2-CD1 3.5Å; F321-L373 HydrophobicContact CE1-CB 4.07Å; F321-L373 HydrophobicContact CE1-CD1 4.38Å; F321-L373 HydrophobicContact CE2-CD1 3.73Å; F321-L373 HydrophobicContact CG-CD1 3.72Å; F321-L373 HydrophobicContact CZ-CB 4.28Å; F321-L373 HydrophobicContact CZ-CD1 4.19Å; I325-L373 HydrophobicContact CD1-CD2 4.2Å; L351-L373 HydrophobicContact CB-CD1 4.42Å; L351-L373 HydrophobicContact CD1-CD1 4.35Å; F356-L373 HydrophobicContact CE1-CD2 4.35Å; F356-L373 HydrophobicContact CZ-CD2 4.42Å; I369-L373 WeakPolarHBondContact O-CB 3.38Å; I369-L373 PolarHBondContact O-N 3.27Å; I370-L373 PolarHBondContact O-N 3.05Å; L373-A376 PolarHBondContact O-N 3.22Å; L373-S377 WeakPolarHBondContact O-CB 3.23Å; L373-S377 PolarHBondContact O-N 3.3Å
374	C	90.6	Very high	89.9	Confident	73 Å²	73	73.7 Å²	73.7	49%	0.493	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-46.7	175.9	-176.1	0	0	0	0	111.2	I370 F371 A376 S377 V378	I370-C374 WeakPolarHBondContact O-CB 3.4Å; I370-C374 PolarHBondContact O-N 2.89Å; F371-C374 WeakPolarHBondContact O-CB 3.45Å; F371-C374 PolarHBondContact O-N 3.01Å; C374-A376 PolarHBondContact O-N 3.25Å; C374-S377 WeakPolarHBondContact O-CB 2.95Å; C374-S377 PolarHBondContact O-N 2.91Å; C374-V378 WeakPolarHBondContact O-CG2 3.3Å; C374-V378 PolarHBondContact O-N 2.96Å
375	F	91.9	Very high	90.1	Very high	125 Å²	125	70.4 Å²	70.4	55%	0.548	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-44.8	176.1	-175.4	-97.6	0	0	0	112	F371 V372 S377 V378 M379	F371-F375 PolarHBondContact O-N 3.34Å; V372-F375 PolarHBondContact O-N 3.44Å; F375-S377 VanDerWaalsContact C-N 3.3Å; F375-S377 PolarHBondContact O-N 2.87Å; F375-V378 PolarHBondContact O-N 2.87Å; F375-M379 HydrophobicContact CD1-CG 4.17Å; F375-M379 HydrophobicContact CE1-CG 3.77Å; F375-M379 HydrophobicContact CE1-SD 4.42Å; F375-M379 HydrophobicContact CZ-CG 3.96Å; F375-M379 HydrophobicContact CZ-SD 4.08Å; F375-M379 WeakPolarHBondContact O-CG 3.46Å; F375-M379 PolarHBondContact O-N 2.91Å
376	A	91.5	Very high	90.4	Very high	17 Å²	17	67 Å²	67	14%	0.14	35%	0.351	C	S	.	.	H	α-helix	trans	-60.3	-40.8	175.8	0	0	0	0	0	111.9	F321 V372 L373 C374 M379 I380	F321-A376 HydrophobicContact CE2-CB 4.15Å; F321-A376 HydrophobicContact CZ-CB 4.21Å; V372-A376 WeakPolarHBondContact O-CB 3.38Å; V372-A376 PolarHBondContact O-N 3.04Å; L373-A376 PolarHBondContact O-N 3.22Å; C374-A376 PolarHBondContact O-N 3.25Å; A376-M379 PolarHBondContact O-N 2.81Å; A376-I380 WeakPolarHBondContact O-CD1 3.1Å; A376-I380 VanDerWaalsContact O-CG1 3.26Å; A376-I380 WeakPolarHBondContact O-CG1 3.25Å; A376-I380 PolarHBondContact O-N 2.91Å
377	S	92.1	Very high	90.6	Very high	4 Å²	4	72.2 Å²	72.2	3%	0.028	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-47	176.6	-177.4	0	0	0	0	112.8	G350 L351 G353 L373 C374 F375 M379 I380 T381	G350-S377 WeakPolarHBondContact O-CB 3.22Å; G350-S377 PolarHBondContact O-OG 3.44Å; L351-S377 WeakPolarHBondContact O-CB 3.43Å; L351-S377 PolarHBondContact O-OG 2.96Å; G353-S377 WeakPolarHBondContact CA-OG 3.4Å; G353-S377 PolarHBondContact N-OG 3.26Å; L373-S377 WeakPolarHBondContact O-CB 3.23Å; L373-S377 PolarHBondContact O-N 3.3Å; C374-S377 WeakPolarHBondContact O-CB 2.95Å; C374-S377 PolarHBondContact O-N 2.91Å; F375-S377 VanDerWaalsContact C-N 3.3Å; F375-S377 PolarHBondContact O-N 2.87Å; S377-M379 VanDerWaalsContact C-N 3.3Å; S377-M379 PolarHBondContact O-N 3.34Å; S377-I380 PolarHBondContact O-N 3.45Å; S377-T381 WeakPolarHBondContact O-CB 3.47Å; S377-T381 WeakPolarHBondContact O-CG2 3.49Å; S377-T381 PolarHBondContact O-N 2.88Å; S377-T381 PolarHBondContact O-OG1 3.49Å
378	V	92.7	Very high	90.7	Very high	74 Å²	74	67.7 Å²	67.7	45%	0.448	35%	0.353	S	S	.	.	H	α-helix	trans	-58	-46	175.9	171.8	0	0	0	0	110	C374 F375 I380 T381 T382	C374-V378 WeakPolarHBondContact O-CG2 3.3Å; C374-V378 PolarHBondContact O-N 2.96Å; F375-V378 PolarHBondContact O-N 2.87Å; V378-I380 PolarHBondContact O-N 2.76Å; V378-T381 PolarHBondContact O-OG1 3.36Å; V378-T382 HydrophobicContact CG1-CG2 4.11Å; V378-T382 VanDerWaalsContact O-CB 3.28Å; V378-T382 WeakPolarHBondContact O-CB 3.46Å; V378-T382 WeakPolarHBondContact O-CG2 3.38Å; V378-T382 PolarHBondContact O-N 2.9Å; V378-T382 PolarHBondContact O-OG1 2.99Å
379	M	91.5	Very high	90.7	Very high	101 Å²	101	67.6 Å²	67.6	50%	0.498	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-46.3	178.1	-71	-63.9	-61.3	0	0	112.2	F375 A376 S377 T382 M383	F375-M379 HydrophobicContact CD1-CG 4.17Å; F375-M379 HydrophobicContact CE1-CG 3.77Å; F375-M379 HydrophobicContact CE1-SD 4.42Å; F375-M379 HydrophobicContact CZ-CG 3.96Å; F375-M379 HydrophobicContact CZ-SD 4.08Å; F375-M379 WeakPolarHBondContact O-CG 3.46Å; F375-M379 PolarHBondContact O-N 2.91Å; A376-M379 PolarHBondContact O-N 2.81Å; S377-M379 VanDerWaalsContact C-N 3.3Å; S377-M379 PolarHBondContact O-N 3.34Å; M379-T382 PolarHBondContact O-OG1 2.63Å; M379-M383 WeakPolarHBondContact O-CB 3.48Å; M379-M383 PolarHBondContact O-N 2.79Å
380	I	89.3	Confident	90.6	Very high	46 Å²	46	70 Å²	70	24%	0.236	37%	0.368	C	S	.	.	H	α-helix	trans	-66.4	-46.3	-178.1	-69.3	163.5	0	0	0	111.2	I314 L351 A376 S377 V378 Y384	I314-I380 HydrophobicContact CD1-CG2 4.16Å; I314-I380 HydrophobicContact CG1-CD1 4.39Å; L351-I380 HydrophobicContact CD1-CD1 3.59Å; L351-I380 HydrophobicContact CG-CD1 4.15Å; A376-I380 WeakPolarHBondContact O-CD1 3.1Å; A376-I380 VanDerWaalsContact O-CG1 3.26Å; A376-I380 WeakPolarHBondContact O-CG1 3.25Å; A376-I380 PolarHBondContact O-N 2.91Å; S377-I380 PolarHBondContact O-N 3.45Å; V378-I380 PolarHBondContact O-N 2.76Å; I380-Y384 WeakPolarHBondContact O-CB 3.41Å; I380-Y384 PolarHBondContact O-N 3.03Å
381	T	89.3	Confident	90.6	Very high	59 Å²	59	71.2 Å²	71.2	36%	0.362	37%	0.371	S	S	.	.	H	α-helix	trans	-66.7	-46.1	-178.6	50.7	0	0	0	0	111.7	S377 V378 M383 Y384 E385	S377-T381 WeakPolarHBondContact O-CB 3.47Å; S377-T381 WeakPolarHBondContact O-CG2 3.49Å; S377-T381 PolarHBondContact O-N 2.88Å; S377-T381 PolarHBondContact O-OG1 3.49Å; V378-T381 PolarHBondContact O-OG1 3.36Å; T381-M383 PolarHBondContact O-N 2.86Å; T381-Y384 PolarHBondContact O-N 2.79Å; T381-E385 WeakPolarHBondContact O-CB 3.23Å; T381-E385 PolarHBondContact O-N 3.28Å
382	T	91.5	Very high	90.4	Very high	66 Å²	66	66.1 Å²	66.1	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-66.4	-37.1	177.7	55.8	0	0	0	0	112.3	V378 M379 E385 A386	V378-T382 HydrophobicContact CG1-CG2 4.11Å; V378-T382 VanDerWaalsContact O-CB 3.28Å; V378-T382 WeakPolarHBondContact O-CB 3.46Å; V378-T382 WeakPolarHBondContact O-CG2 3.38Å; V378-T382 PolarHBondContact O-N 2.9Å; V378-T382 PolarHBondContact O-OG1 2.99Å; M379-T382 PolarHBondContact O-OG1 2.63Å; T382-E385 PolarHBondContact O-N 3.04Å; T382-A386 VanDerWaalsContact O-CB 3.28Å; T382-A386 WeakPolarHBondContact O-CB 3.39Å; T382-A386 PolarHBondContact O-N 2.95Å
383	M	90.2	Very high	90	Very high	85 Å²	85	68.5 Å²	68.5	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-63.9	-47.7	175.1	-174.9	-178.3	81.2	0	0	111.1	M379 T381 E385 A386 Y387	M379-M383 WeakPolarHBondContact O-CB 3.48Å; M379-M383 PolarHBondContact O-N 2.79Å; T381-M383 PolarHBondContact O-N 2.86Å; M383-E385 PolarHBondContact O-N 3.47Å; M383-A386 PolarHBondContact O-N 3.46Å; M383-Y387 HydrophobicContact CG-CD2 3.74Å; M383-Y387 HydrophobicContact CG-CE2 3.5Å; M383-Y387 VanDerWaalsContact CG-CE2 3.5Å; M383-Y387 WeakPolarHBondContact O-CD2 3.42Å; M383-Y387 PolarHBondContact O-N 3.26Å; M383-Y387 HydrophobicContact SD-CE2 4.13Å
384	Y	89	Confident	89.5	Confident	83 Å²	83	75.3 Å²	75.3	33%	0.325	40%	0.395	S	S	.	.	H	α-helix	trans	-60.2	-45.7	177.2	-175.9	-94	0	0	0	111.6	I305 V306 I380 T381 Y387 L388	I305-Y384 HydrophobicContact CB-CD2 4.32Å; I305-Y384 HydrophobicContact CB-CE2 3.92Å; I305-Y384 HydrophobicContact CD1-CE2 4.5Å; I305-Y384 HydrophobicContact CG2-CD2 3.38Å; I305-Y384 HydrophobicContact CG2-CE2 3.49Å; I305-Y384 VanDerWaalsContact CG2-CE2 3.49Å; I305-Y384 HydrophobicContact CG2-CG 4.35Å; V306-Y384 HydrophobicContact CG2-CE2 3.82Å; I380-Y384 WeakPolarHBondContact O-CB 3.41Å; I380-Y384 PolarHBondContact O-N 3.03Å; T381-Y384 PolarHBondContact O-N 2.79Å; Y384-Y387 PolarHBondContact O-N 3.47Å; Y384-L388 HydrophobicContact CE1-CD2 4.13Å; Y384-L388 VanDerWaalsContact O-CB 3.27Å; Y384-L388 WeakPolarHBondContact O-CB 3.41Å; Y384-L388 PolarHBondContact O-N 3.38Å
385	E	90.3	Very high	89.2	Confident	116 Å²	116	72.1 Å²	72.1	54%	0.542	37%	0.374	S	S	.	.	H	α-helix	trans	-62.1	-43.6	177.6	-173.8	173.2	-171.4	0	0	111.8	T381 T382 M383 Y387 L388 Q389	T381-E385 WeakPolarHBondContact O-CB 3.23Å; T381-E385 PolarHBondContact O-N 3.28Å; T382-E385 PolarHBondContact O-N 3.04Å; M383-E385 PolarHBondContact O-N 3.47Å; E385-Y387 PolarHBondContact O-N 2.84Å; E385-L388 PolarHBondContact O-N 2.79Å; E385-Q389 HydrophobicContact CG-CG 4.31Å; E385-Q389 WeakPolarHBondContact O-CB 3.32Å; E385-Q389 VanDerWaalsContact O-CG 3.23Å; E385-Q389 WeakPolarHBondContact O-CG 3.47Å; E385-Q389 PolarHBondContact O-N 3.21Å
386	A	91.9	Very high	88.9	Confident	62 Å²	62	67.8 Å²	67.8	51%	0.512	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-44.7	177.5	0	0	0	0	0	112.3	T382 M383 S390	T382-A386 VanDerWaalsContact O-CB 3.28Å; T382-A386 WeakPolarHBondContact O-CB 3.39Å; T382-A386 PolarHBondContact O-N 2.95Å; M383-A386 PolarHBondContact O-N 3.46Å; A386-S390 WeakPolarHBondContact O-CB 3.09Å; A386-S390 PolarHBondContact O-N 3.34Å
387	Y	90.7	Very high	88.7	Confident	117 Å²	117	69.3 Å²	69.3	46%	0.459	37%	0.368	S	S	.	.	H	α-helix	trans	-63.8	-43.2	175.1	-80.7	-65.5	0	0	0	112	M383 Y384 E385 S390 Y391	M383-Y387 HydrophobicContact CG-CD2 3.74Å; M383-Y387 HydrophobicContact CG-CE2 3.5Å; M383-Y387 VanDerWaalsContact CG-CE2 3.5Å; M383-Y387 WeakPolarHBondContact O-CD2 3.42Å; M383-Y387 PolarHBondContact O-N 3.26Å; M383-Y387 HydrophobicContact SD-CE2 4.13Å; Y384-Y387 PolarHBondContact O-N 3.47Å; E385-Y387 PolarHBondContact O-N 2.84Å; Y387-S390 PolarHBondContact O-N 3.42Å; Y387-Y391 WeakPolarHBondContact O-CB 3.48Å; Y387-Y391 PolarHBondContact O-N 3.35Å
388	L	89.3	Confident	88.3	Confident	27 Å²	27	74 Å²	74	14%	0.141	39%	0.389	C	S	.	.	H	α-helix	trans	-62.5	-47.6	179.7	-171.7	68.7	0	0	0	111.5	V301 Y302 I305 Y384 E385 S390 Y391 F392	V301-L388 HydrophobicContact CG1-CD1 4.24Å; Y302-L388 HydrophobicContact CD1-CD1 3.89Å; Y302-L388 HydrophobicContact CE1-CD1 3.82Å; Y302-L388 HydrophobicContact CE1-CD2 4.41Å; I305-L388 HydrophobicContact CD1-CB 3.98Å; I305-L388 HydrophobicContact CD1-CD1 3.68Å; I305-L388 HydrophobicContact CD1-CG 4.48Å; Y384-L388 HydrophobicContact CE1-CD2 4.13Å; Y384-L388 VanDerWaalsContact O-CB 3.27Å; Y384-L388 WeakPolarHBondContact O-CB 3.41Å; Y384-L388 PolarHBondContact O-N 3.38Å; E385-L388 PolarHBondContact O-N 2.79Å; L388-S390 VanDerWaalsContact C-N 3.33Å; L388-S390 PolarHBondContact O-N 3.23Å; L388-Y391 PolarHBondContact O-N 3.49Å; L388-F392 HydrophobicContact CD1-CD2 4.38Å; L388-F392 HydrophobicContact CD1-CE1 4.03Å; L388-F392 HydrophobicContact CD1-CE2 3.68Å; L388-F392 HydrophobicContact CD1-CZ 3.46Å; L388-F392 VanDerWaalsContact CD1-CZ 3.46Å; L388-F392 HydrophobicContact CD2-CE2 3.89Å; L388-F392 HydrophobicContact CD2-CZ 4.35Å; L388-F392 HydrophobicContact CG-CD2 3.99Å; L388-F392 HydrophobicContact CG-CE2 3.49Å; L388-F392 VanDerWaalsContact CG-CE2 3.49Å; L388-F392 HydrophobicContact CG-CZ 3.86Å; L388-F392 WeakPolarHBondContact O-CG 3.3Å; L388-F392 PolarHBondContact O-N 2.99Å
389	Q	89	Confident	88	Confident	106 Å²	106	76.1 Å²	76.1	50%	0.495	40%	0.404	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.3	-69.2	-65.6	-14.9	0	0	111.5	E385 F392 T393	E385-Q389 HydrophobicContact CG-CG 4.31Å; E385-Q389 WeakPolarHBondContact O-CB 3.32Å; E385-Q389 VanDerWaalsContact O-CG 3.23Å; E385-Q389 WeakPolarHBondContact O-CG 3.47Å; E385-Q389 PolarHBondContact O-N 3.21Å; Q389-F392 PolarHBondContact O-N 3.15Å; Q389-T393 WeakPolarHBondContact O-CB 3.44Å; Q389-T393 PolarHBondContact O-N 3.27Å; Q389-T393 PolarHBondContact O-OG1 3.14Å
390	S	90.1	Very high	88	Confident	67 Å²	67	76.6 Å²	76.6	47%	0.469	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-44.6	176.6	-172.8	0	0	0	0	112	A386 Y387 L388 T393 Q394	A386-S390 WeakPolarHBondContact O-CB 3.09Å; A386-S390 PolarHBondContact O-N 3.34Å; Y387-S390 PolarHBondContact O-N 3.42Å; L388-S390 VanDerWaalsContact C-N 3.33Å; L388-S390 PolarHBondContact O-N 3.23Å; S390-T393 PolarHBondContact O-N 3.49Å; S390-Q394 PolarHBondContact O-N 3.46Å
391	Y	88.1	Confident	88.1	Confident	52 Å²	52	75.4 Å²	75.4	20%	0.204	40%	0.395	C	S	.	.	H	α-helix	trans	-74.1	-26.3	-179.1	-70.9	-5.6	0	0	0	113.1	V301 I305 Y387 L388 Q394 P395 P396	V301-Y391 HydrophobicContact CG1-CD2 3.9Å; V301-Y391 HydrophobicContact CG1-CG 4.24Å; I305-Y391 HydrophobicContact CD1-CD2 3.97Å; I305-Y391 HydrophobicContact CG1-CD2 3.64Å; I305-Y391 HydrophobicContact CG1-CE2 3.75Å; Y387-Y391 WeakPolarHBondContact O-CB 3.48Å; Y387-Y391 PolarHBondContact O-N 3.35Å; L388-Y391 PolarHBondContact O-N 3.49Å; Y391-Q394 CarbonylContact O-C 3.52Å; Y391-P395 WeakPolarHBondContact O-CA 3.48Å; Y391-P395 WeakPolarHBondContact O-CD 3.46Å; Y391-P395 VanDerWaalsContact O-N 3.09Å; Y391-P396 HydrophobicContact CD1-CG 3.99Å; Y391-P396 HydrophobicContact CD2-CG 4.43Å; Y391-P396 HydrophobicContact CE1-CG 3.85Å; Y391-P396 HydrophobicContact CE2-CG 4.28Å; Y391-P396 HydrophobicContact CG-CG 4.28Å
392	F	84.9	Confident	88.1	Confident	37 Å²	37	82.3 Å²	82.3	16%	0.162	42%	0.415	C	S	.	.	H	α-helix	trans	-72.5	-35.6	169.2	-71.3	-23.6	0	0	0	113.1	Y298 V301 Y302 L388 Q389 L557	Y298-F392 AromaticContact CD1-CD1 3.68Å; Y298-F392 HydrophobicContact CD1-CD1 3.68Å; Y298-F392 HydrophobicContact CD1-CE1 4.13Å; Y298-F392 HydrophobicContact CE1-CD1 4.02Å; Y298-F392 PolarHBondContact OH-O 3.24Å; V301-F392 HydrophobicContact CG1-CD1 4.46Å; V301-F392 HydrophobicContact CG1-CE1 4.2Å; Y302-F392 AromaticContact CE1-CZ 3.9Å; Y302-F392 HydrophobicContact CE1-CZ 3.9Å; Y302-F392 HydrophobicContact CE2-CZ 4.29Å; Y302-F392 AromaticContact CZ-CZ 3.6Å; Y302-F392 WeakPolarHBondContact OH-CZ 3.04Å; L388-F392 HydrophobicContact CD1-CD2 4.38Å; L388-F392 HydrophobicContact CD1-CE1 4.03Å; L388-F392 HydrophobicContact CD1-CE2 3.68Å; L388-F392 HydrophobicContact CD1-CZ 3.46Å; L388-F392 VanDerWaalsContact CD1-CZ 3.46Å; L388-F392 HydrophobicContact CD2-CE2 3.89Å; L388-F392 HydrophobicContact CD2-CZ 4.35Å; L388-F392 HydrophobicContact CG-CD2 3.99Å; L388-F392 HydrophobicContact CG-CE2 3.49Å; L388-F392 VanDerWaalsContact CG-CE2 3.49Å; L388-F392 HydrophobicContact CG-CZ 3.86Å; L388-F392 WeakPolarHBondContact O-CG 3.3Å; L388-F392 PolarHBondContact O-N 2.99Å; Q389-F392 PolarHBondContact O-N 3.15Å; F392-L557 HydrophobicContact CD1-CD2 4.27Å; F392-L557 HydrophobicContact CE1-CD2 3.99Å; F392-L557 HydrophobicContact CE2-CD1 4.28Å; F392-L557 HydrophobicContact CZ-CD1 4.5Å; F392-L557 HydrophobicContact CZ-CD2 4.19Å
393	T	83.9	Confident	88.1	Confident	119 Å²	119	81.1 Å²	81.1	73%	0.73	41%	0.409	S	S	*	.	H	α-helix	trans	-69.2	-47.3	175.8	-53.7	0	0	0	0	111.1	Q389 S390	Q389-T393 WeakPolarHBondContact O-CB 3.44Å; Q389-T393 PolarHBondContact O-N 3.27Å; Q389-T393 PolarHBondContact O-OG1 3.14Å; S390-T393 PolarHBondContact O-N 3.49Å
394	Q	81.9	Confident	88.1	Confident	145 Å²	145	77.3 Å²	77.3	68%	0.678	39%	0.39	S	S	*	.	S	Bend	trans	-143.2	97.9	177.5	-166.6	169.8	18.9	0	0	109.5	S390 Y391	S390-Q394 PolarHBondContact O-N 3.46Å; Y391-Q394 CarbonylContact O-C 3.52Å
395	P	84.4	Confident	88.1	Confident	7 Å²	7	81.4 Å²	81.4	5%	0.045	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-62.8	143.1	178.9	1.1	0.8	0	0	0	110	K295 Y298 Y391	K295-P395 HydrophobicContact CB-CB 4.33Å; K295-P395 HydrophobicContact CB-CG 4.18Å; K295-P395 HydrophobicContact CD-CG 4.11Å; Y298-P395 HydrophobicContact CE1-CG 3.85Å; Y391-P395 WeakPolarHBondContact O-CA 3.48Å; Y391-P395 WeakPolarHBondContact O-CD 3.46Å; Y391-P395 VanDerWaalsContact O-N 3.09Å
396	P	86.1	Confident	88	Confident	33 Å²	33	78.6 Å²	78.6	21%	0.214	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-63.6	143.8	175.1	-0.1	11.6	0	0	0	109.9	M296 M304 Y391	M296-P396 WeakPolarHBondContact CB-O 3.41Å; M296-P396 HydrophobicContact CE-CB 3.42Å; M296-P396 VanDerWaalsContact CE-CB 3.42Å; M296-P396 HydrophobicContact CE-CG 3.41Å; M296-P396 VanDerWaalsContact CE-CG 3.41Å; M296-P396 WeakPolarHBondContact CE-O 3.48Å; M296-P396 PolarHBondContact N-O 3.31Å; M304-P396 HydrophobicContact CE-CG 4.47Å; M304-P396 HydrophobicContact SD-CG 4.2Å; Y391-P396 HydrophobicContact CD1-CG 3.99Å; Y391-P396 HydrophobicContact CD2-CG 4.43Å; Y391-P396 HydrophobicContact CE1-CG 3.85Å; Y391-P396 HydrophobicContact CE2-CG 4.28Å; Y391-P396 HydrophobicContact CG-CG 4.28Å
397	S	86.1	Confident	87.8	Confident	50 Å²	50	75.7 Å²	75.7	35%	0.35	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-80.3	155.9	174.5	-57.4	0	0	0	0	111.5
398	E	85.1	Confident	87.4	Confident	101 Å²	101	71.9 Å²	71.9	47%	0.472	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-54	155	162.9	-76.9	174.7	-167.3	0	0	111.7	P293 A294 Y400	P293-E398 HydrophobicContact CB-CB 3.78Å; P293-E398 VanDerWaalsContact CB-O 3.23Å; P293-E398 WeakPolarHBondContact CB-O 3.35Å; A294-E398 PolarHBondContact O-N 2.98Å; E398-Y400 PolarHBondContact O-N 3.16Å
399	P	86.3	Confident	87.3	Confident	119 Å²	119	77.3 Å²	77.3	77%	0.773	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-62.9	132.5	-177.9	25.9	-34.1	0	0	0	111.5
400	Y	90.6	Very high	87.1	Confident	112 Å²	112	74.1 Å²	74.1	44%	0.439	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-62.6	147.4	172.1	-71.7	-100	0	0	0	111.4	P293 E398 R402 Y485	P293-Y400 HydrophobicContact CG-CD1 3.9Å; P293-Y400 HydrophobicContact CG-CD2 4.2Å; P293-Y400 HydrophobicContact CG-CE1 4.09Å; P293-Y400 HydrophobicContact CG-CE2 4.36Å; P293-Y400 HydrophobicContact CG-CG 3.95Å; E398-Y400 PolarHBondContact O-N 3.16Å; Y400-R402 PolarHBondContact O-N 3.39Å; Y400-Y485 HydrophobicContact CD1-CD1 4.07Å; Y400-Y485 HydrophobicContact CD1-CD2 4.44Å; Y400-Y485 AromaticContact CD1-CE1 3.61Å; Y400-Y485 HydrophobicContact CD1-CE1 3.61Å; Y400-Y485 HydrophobicContact CD1-CE2 4.03Å; Y400-Y485 HydrophobicContact CD1-CG 4.46Å; Y400-Y485 AromaticContact CD1-CZ 3.59Å; Y400-Y485 AromaticContact CE1-CD1 4Å; Y400-Y485 HydrophobicContact CE1-CD1 4Å; Y400-Y485 AromaticContact CE1-CE1 3.98Å; Y400-Y485 HydrophobicContact CE1-CE1 3.98Å; Y400-Y485 HydrophobicContact CE1-CG 4.36Å
401	I	91.4	Very high	86.9	Confident	20 Å²	20	76.7 Å²	76.7	10%	0.103	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-71.2	121.1	174.1	-52.8	-176.3	0	0	0	108.6	V290 D406 I407 T410 L412 I461 Y485 L490	V290-I401 HydrophobicContact CG1-CD1 3.78Å; V290-I401 HydrophobicContact CG1-CG1 4.26Å; I401-D406 HydrophobicContact CG2-CB 4.06Å; I401-I407 HydrophobicContact CG2-CG1 4.03Å; I401-T410 HydrophobicContact CD1-CG2 4.04Å; I401-T410 HydrophobicContact CG1-CG2 4.27Å; I401-L412 HydrophobicContact CD1-CD1 4.32Å; I401-I461 HydrophobicContact CD1-CD1 3.83Å; I401-Y485 PolarHBondContact N-OH 2.78Å; I401-L490 HydrophobicContact CB-CD1 4.23Å; I401-L490 HydrophobicContact CG2-CD1 3.75Å
402	R	89.4	Confident	87	Confident	204 Å²	204	75.8 Å²	75.8	77%	0.77	40%	0.4	S	S	*	.			trans	-107.2	-28.1	-175.4	-65.5	-173.4	179.7	-177.3	-0.1	113.7	Y400	Y400-R402 PolarHBondContact O-N 3.39Å
403	S	91.3	Very high	87.5	Confident	41 Å²	41	78.7 Å²	78.7	29%	0.287	41%	0.412	S	S	.	.	S	Bend	trans	-132.9	159.7	179.3	74.9	0	0	0	0	112.5	R405 D406 L490	S403-R405 PolarHBondContact O-N 2.91Å; S403-D406 WeakPolarHBondContact CB-OD2 3.34Å; S403-D406 PolarHBondContact N-OD2 3.45Å; S403-D406 WeakPolarHBondContact O-CB 3.39Å; S403-D406 PolarHBondContact O-N 3.34Å; S403-D406 VanDerWaalsContact O-N 3.17Å; S403-D406 PolarHBondContact OG-N 3.3Å; S403-D406 PolarHBondContact OG-OD1 2.91Å; S403-D406 PolarHBondContact OG-OD2 2.85Å; S403-L490 VanDerWaalsContact C-CD2 3.4Å
404	F	91.2	Very high	88	Confident	6 Å²	6	73 Å²	73	3%	0.026	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.2	175.7	-73.2	-83.5	0	0	0	112.5	L288 D406 I407 H431 E434 I435 L490 F492	L288-F404 HydrophobicContact CD1-CD1 4.19Å; L288-F404 HydrophobicContact CD1-CE1 3.78Å; L288-F404 HydrophobicContact CG-CE1 4.27Å; F404-D406 VanDerWaalsContact C-N 3.3Å; F404-D406 PolarHBondContact O-N 3.07Å; F404-I407 HydrophobicContact CD1-CD1 4.16Å; F404-I407 VanDerWaalsContact O-CB 3.31Å; F404-I407 WeakPolarHBondContact O-CB 3.49Å; F404-I407 WeakPolarHBondContact O-CG1 3.21Å; F404-I407 PolarHBondContact O-N 3.45Å; F404-H431 HydrophobicContact CD1-CB 4.28Å; F404-H431 HydrophobicContact CD2-CB 3.65Å; F404-H431 AromaticContact CD2-CG 3.68Å; F404-H431 AromaticContact CD2-ND1 3.52Å; F404-H431 HydrophobicContact CE1-CB 4.17Å; F404-H431 HydrophobicContact CE2-CB 3.53Å; F404-H431 AromaticContact CE2-CG 3.49Å; F404-H431 VanDerWaalsContact CE2-CG 3.49Å; F404-H431 AromaticContact CE2-ND1 3.73Å; F404-H431 HydrophobicContact CG-CB 4.03Å; F404-H431 HydrophobicContact CZ-CB 3.79Å; F404-E434 HydrophobicContact CB-CB 4.31Å; F404-I435 HydrophobicContact CD1-CD1 4.02Å; F404-I435 HydrophobicContact CD1-CG1 4.29Å; F404-L490 HydrophobicContact CD2-CD2 3.97Å; F404-L490 HydrophobicContact CE1-CB 4.42Å; F404-L490 HydrophobicContact CE2-CB 4.35Å; F404-L490 HydrophobicContact CE2-CD2 4.11Å; F404-L490 HydrophobicContact CG-CD2 4.28Å; F404-L490 HydrophobicContact CZ-CB 4.09Å; F404-F492 HydrophobicContact CD1-CE1 4.15Å; F404-F492 AromaticContact CE1-CD1 3.88Å; F404-F492 HydrophobicContact CE1-CD1 3.88Å; F404-F492 AromaticContact CE1-CE1 3.49Å; F404-F492 HydrophobicContact CE1-CE1 3.49Å; F404-F492 VanDerWaalsContact CE1-CE1 3.49Å; F404-F492 AromaticContact CE1-CZ 4Å; F404-F492 HydrophobicContact CE1-CZ 4Å; F404-F492 HydrophobicContact CZ-CD1 4.1Å; F404-F492 HydrophobicContact CZ-CE1 4.18Å
405	R	88.3	Confident	88.7	Confident	169 Å²	169	66.1 Å²	66.1	64%	0.638	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-66.5	-33.3	176.4	-61.5	-179.5	-173	-175.3	-0.8	112.5	S403 I407 G408 E434	S403-R405 PolarHBondContact O-N 2.91Å; R405-I407 PolarHBondContact O-N 3.27Å; R405-G408 PolarHBondContact O-N 2.79Å; R405-E434 HydrophobicContact CG-CB 4.43Å; R405-E434 IonicContact CZ-OE1 2.83Å; R405-E434 IonicContact NE-OE1 3.25Å; R405-E434 PolarHBondContact NE-OE1 3.24Å; R405-E434 IonicContact NE-OE2 3.55Å; R405-E434 IonicContact NH2-OE1 2.61Å; R405-E434 PolarHBondContact NH2-OE1 3.25Å
406	D	87	Confident	89.2	Confident	57 Å²	57	65.8 Å²	65.8	31%	0.305	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-66.1	-22.5	179.5	-59.3	-36	0	0	0	111.9	I401 S403 F404 G408 N409 T410	I401-D406 HydrophobicContact CG2-CB 4.06Å; S403-D406 WeakPolarHBondContact CB-OD2 3.34Å; S403-D406 PolarHBondContact N-OD2 3.45Å; S403-D406 WeakPolarHBondContact O-CB 3.39Å; S403-D406 PolarHBondContact O-N 3.34Å; S403-D406 VanDerWaalsContact O-N 3.17Å; S403-D406 PolarHBondContact OG-N 3.3Å; S403-D406 PolarHBondContact OG-OD1 2.91Å; S403-D406 PolarHBondContact OG-OD2 2.85Å; F404-D406 VanDerWaalsContact C-N 3.3Å; F404-D406 PolarHBondContact O-N 3.07Å; D406-G408 PolarHBondContact O-N 3.31Å; D406-N409 WeakPolarHBondContact O-CB 3.46Å; D406-N409 PolarHBondContact O-N 3.09Å; D406-T410 PolarHBondContact O-N 3.16Å
407	I	89.3	Confident	89.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-58.3	-39	176.7	-57.3	178.8	0	0	0	110.5	L288 I401 F404 R405 N409 T410 M414 I435 I461	L288-I407 HydrophobicContact CD1-CD1 3.71Å; I401-I407 HydrophobicContact CG2-CG1 4.03Å; F404-I407 HydrophobicContact CD1-CD1 4.16Å; F404-I407 VanDerWaalsContact O-CB 3.31Å; F404-I407 WeakPolarHBondContact O-CB 3.49Å; F404-I407 WeakPolarHBondContact O-CG1 3.21Å; F404-I407 PolarHBondContact O-N 3.45Å; R405-I407 PolarHBondContact O-N 3.27Å; I407-N409 PolarHBondContact O-N 3.46Å; I407-T410 PolarHBondContact O-N 3.46Å; I407-T410 PolarHBondContact O-OG1 2.81Å; I407-M414 HydrophobicContact CD1-CE 3.88Å; I407-I435 HydrophobicContact CD1-CD1 4.42Å; I407-I461 HydrophobicContact CG1-CD1 4.46Å; I407-I461 HydrophobicContact CG2-CD1 4.07Å
408	G	82.6	Confident	89.9	Confident	38 Å²	38	67.3 Å²	67.3	39%	0.392	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-66.4	-19.2	177	0	0	0	0	0	114.3	R405 D406 H439	R405-G408 PolarHBondContact O-N 2.79Å; D406-G408 PolarHBondContact O-N 3.31Å; G408-H439 PolarHBondContact O-NE2 3.3Å
409	N	85.3	Confident	90	Very high	140 Å²	140	65.8 Å²	65.8	75%	0.749	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-88.3	-9.7	175.7	-62.2	-30.9	0	0	0	112.5	D406 I407	D406-N409 WeakPolarHBondContact O-CB 3.46Å; D406-N409 PolarHBondContact O-N 3.09Å; I407-N409 PolarHBondContact O-N 3.46Å
410	T	85.4	Confident	90.3	Very high	40 Å²	40	61.6 Å²	61.6	25%	0.245	30%	0.302	C	S	.	.	S	Bend	trans	-97.6	154.9	179	67.7	0	0	0	0	111.2	I401 D406 I407 L412 H439	I401-T410 HydrophobicContact CD1-CG2 4.04Å; I401-T410 HydrophobicContact CG1-CG2 4.27Å; D406-T410 PolarHBondContact O-N 3.16Å; I407-T410 PolarHBondContact O-N 3.46Å; I407-T410 PolarHBondContact O-OG1 2.81Å; T410-L412 PolarHBondContact O-N 3.42Å; T410-H439 PolarHBondContact O-CE1 3.02Å; T410-H439 VanDerWaalsContact O-CE1 3.28Å
411	S	86.4	Confident	90.4	Very high	121 Å²	121	57 Å²	57	85%	0.846	29%	0.286	S	S	*	.	S	Bend	trans	-74.9	-4.1	172.2	55.1	0	0	0	0	113.5
412	L	90.7	Very high	90.5	Very high	33 Å²	33	60.6 Å²	60.6	17%	0.173	31%	0.305	C	S	.	.			trans	-76.7	142.9	-178.1	-63.6	173.5	0	0	0	110.7	P291 I401 T410 H439 I461	P291-L412 HydrophobicContact CG-CD1 4.26Å; P291-L412 HydrophobicContact CG-CD2 4.45Å; I401-L412 HydrophobicContact CD1-CD1 4.32Å; T410-L412 PolarHBondContact O-N 3.42Å; L412-H439 PolarHBondContact O-ND1 2.89Å; L412-I461 HydrophobicContact CB-CD1 3.99Å; L412-I461 HydrophobicContact CB-CG1 4.16Å; L412-I461 HydrophobicContact CD1-CD1 4.25Å; L412-I461 HydrophobicContact CD1-CG1 4.19Å
413	K	94	Very high	90.5	Very high	97 Å²	97	51.8 Å²	51.8	42%	0.422	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	145.2	171.8	-64.3	-171.1	175.9	-165	0	110	H439 F460 I461	K413-H439 CarbonylContact C-O 3.44Å; K413-H439 WeakPolarHBondContact CA-O 3.47Å; K413-F460 HydrophobicContact CB-CD1 4.06Å; K413-F460 HydrophobicContact CB-CE1 4.24Å; K413-F460 CarbonylContact O-C 3.52Å; K413-F460 VanDerWaalsContact O-CA 3.22Å; K413-F460 WeakPolarHBondContact O-CA 3.48Å; K413-I461 PolarHBondContact O-N 2.98Å
414	M	95.4	Very high	90.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.2	171.9	-177.8	-179.5	-62.7	0	0	109.7	L288 I407 I435 H439 L440 L441 I461 F492	L288-M414 HydrophobicContact CD1-CE 3.44Å; L288-M414 VanDerWaalsContact CD1-CE 3.44Å; L288-M414 HydrophobicContact CD2-CE 3.46Å; L288-M414 VanDerWaalsContact CD2-CE 3.46Å; L288-M414 HydrophobicContact CD2-SD 4.07Å; L288-M414 HydrophobicContact CG-CE 4.1Å; I407-M414 HydrophobicContact CD1-CE 3.88Å; M414-I435 HydrophobicContact CE-CD1 3.46Å; M414-I435 VanDerWaalsContact CE-CD1 3.46Å; M414-I435 HydrophobicContact SD-CD1 3.94Å; M414-H439 PolarHBondContact N-O 3.41Å; M414-L440 HydrophobicContact CB-CD2 4.13Å; M414-L440 HydrophobicContact SD-CD2 4.25Å; M414-L441 PolarHBondContact O-N 2.92Å; M414-I461 CarbonylContact C-O 3.55Å; M414-I461 VanDerWaalsContact CA-O 3.3Å; M414-I461 WeakPolarHBondContact CA-O 3.29Å; M414-I461 HydrophobicContact CB-CB 4.44Å; M414-I461 HydrophobicContact CE-CG2 4.29Å; M414-F492 HydrophobicContact CE-CZ 4.03Å; M414-F492 HydrophobicContact SD-CE2 4.19Å; M414-F492 HydrophobicContact SD-CZ 3.81Å
415	A	96.6	Very high	90.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.6	171.2	0	0	0	0	0	109.2	L441 F443 Y449 L452 F460 I461 F462 P463	A415-L441 WeakPolarHBondContact CA-O 3.41Å; A415-F443 HydrophobicContact CB-CE2 4.03Å; A415-Y449 WeakPolarHBondContact O-CE2 3.21Å; A415-L452 HydrophobicContact CB-CD2 4.38Å; A415-F460 HydrophobicContact CB-CB 4.17Å; A415-F460 HydrophobicContact CB-CD1 4.27Å; A415-F460 HydrophobicContact CB-CG 4.29Å; A415-I461 PolarHBondContact N-O 3.44Å; A415-F462 HydrophobicContact CB-CD1 3.84Å; A415-F462 HydrophobicContact CB-CE1 3.57Å; A415-F462 HydrophobicContact CB-CZ 4.47Å; A415-P463 WeakPolarHBondContact O-CD 3.45Å
416	I	95.5	Very high	90.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.9	-176	-171.5	167.7	0	0	0	110.4	E420 V421 L424 F432 L441 I442 F443 P463	I416-E420 HydrophobicContact CD1-CB 3.93Å; I416-E420 HydrophobicContact CG1-CB 3.71Å; I416-V421 HydrophobicContact CB-CG2 4.43Å; I416-V421 HydrophobicContact CD1-CG2 3.97Å; I416-V421 HydrophobicContact CG1-CG2 4.04Å; I416-V421 HydrophobicContact CG2-CG2 3.57Å; I416-L424 HydrophobicContact CD1-CD1 3.87Å; I416-F432 HydrophobicContact CD1-CE2 4.2Å; I416-L441 PolarHBondContact N-O 2.59Å; I416-I442 HydrophobicContact CG2-CG1 4.23Å; I416-I442 CarbonylContact O-C 3.54Å; I416-I442 VanDerWaalsContact O-CA 3.31Å; I416-I442 WeakPolarHBondContact O-CA 3.14Å; I416-F443 PolarHBondContact O-N 3.01Å; I416-P463 HydrophobicContact CB-CG 4.28Å; I416-P463 HydrophobicContact CD1-CG 4.15Å; I416-P463 HydrophobicContact CG1-CG 3.95Å
417	S	93.7	Very high	90.9	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	151.8	175.5	68.4	0	0	0	0	112.3	L419 E420 V421 F443	S417-L419 PolarHBondContact O-N 3.43Å; S417-E420 WeakPolarHBondContact CB-OE2 3.27Å; S417-E420 PolarHBondContact N-OE2 2.86Å; S417-E420 PolarHBondContact O-N 3.1Å; S417-E420 VanDerWaalsContact O-N 3.11Å; S417-E420 WeakPolarHBondContact OG-CB 3.39Å; S417-E420 WeakPolarHBondContact OG-CG 3.07Å; S417-E420 PolarHBondContact OG-N 3.01Å; S417-E420 PolarHBondContact OG-OE2 3.05Å; S417-V421 WeakPolarHBondContact O-CG2 3.48Å; S417-V421 PolarHBondContact O-N 3.19Å; S417-F443 CarbonylContact C-O 3.58Å; S417-F443 WeakPolarHBondContact CA-O 3.33Å
418	R	92.3	Very high	90.9	Very high	113 Å²	113	54.3 Å²	54.3	43%	0.426	31%	0.307	S	S	.	.	H	α-helix	trans	-57.9	-35.8	174.6	-176.9	172.2	-60.1	-81.1	-5.6	112.4	E420 V421 N422 I442 F443 D444	R418-E420 VanDerWaalsContact C-N 3.35Å; R418-E420 PolarHBondContact O-N 3.17Å; R418-V421 PolarHBondContact O-N 3.39Å; R418-N422 WeakPolarHBondContact O-CB 3.31Å; R418-N422 PolarHBondContact O-N 2.99Å; R418-N422 PolarHBondContact O-OD1 3.17Å; R418-I442 HydrophobicContact CB-CG2 4.02Å; R418-F443 PolarHBondContact N-O 3.23Å; R418-D444 IonicContact CZ-OD1 3.01Å; R418-D444 IonicContact NE-OD1 3.93Å; R418-D444 PolarHBondContact NE-OD1 3.17Å; R418-D444 IonicContact NH2-OD1 2.73Å; R418-D444 PolarHBondContact NH2-OD1 3.28Å; R418-D444 IonicContact NH2-OD2 3.98Å
419	L	88	Confident	91.3	Very high	69 Å²	69	53.7 Å²	53.7	36%	0.361	30%	0.295	S	S	.	.	H	α-helix	trans	-59.2	-46.9	176.2	-176.7	69.8	0	0	0	111.1	S417 N422 V423 I446	S417-L419 PolarHBondContact O-N 3.43Å; L419-N422 PolarHBondContact O-N 3.27Å; L419-V423 VanDerWaalsContact O-CG2 3.24Å; L419-V423 WeakPolarHBondContact O-CG2 3.49Å; L419-V423 PolarHBondContact O-N 3.39Å; L419-V423 VanDerWaalsContact O-N 3.17Å; L419-I446 HydrophobicContact CD2-CD1 4.43Å
420	E	91.1	Very high	91.6	Very high	30 Å²	30	50.7 Å²	50.7	14%	0.14	29%	0.285	C	S	.	.	H	α-helix	trans	-66.2	-40.7	178.4	-70.2	160.8	150.9	0	0	111.6	Y286 I416 S417 R418 N422 V423 L424 Y449	Y286-E420 VanDerWaalsContact OH-CG 3.29Å; Y286-E420 WeakPolarHBondContact OH-CG 3.48Å; Y286-E420 PolarHBondContact OH-OE1 3.07Å; Y286-E420 VanDerWaalsContact OH-OE1 3.06Å; I416-E420 HydrophobicContact CD1-CB 3.93Å; I416-E420 HydrophobicContact CG1-CB 3.71Å; S417-E420 WeakPolarHBondContact CB-OE2 3.27Å; S417-E420 PolarHBondContact N-OE2 2.86Å; S417-E420 PolarHBondContact O-N 3.1Å; S417-E420 VanDerWaalsContact O-N 3.11Å; S417-E420 WeakPolarHBondContact OG-CB 3.39Å; S417-E420 WeakPolarHBondContact OG-CG 3.07Å; S417-E420 PolarHBondContact OG-N 3.01Å; S417-E420 PolarHBondContact OG-OE2 3.05Å; R418-E420 VanDerWaalsContact C-N 3.35Å; R418-E420 PolarHBondContact O-N 3.17Å; E420-N422 PolarHBondContact O-N 3.22Å; E420-V423 PolarHBondContact O-N 3.05Å; E420-L424 WeakPolarHBondContact O-CG 3.5Å; E420-L424 PolarHBondContact O-N 3.34Å; E420-Y449 WeakPolarHBondContact OE2-CE1 3.32Å; E420-Y449 PolarHBondContact OE2-OH 3.43Å
421	V	93.7	Very high	91.9	Very high	17 Å²	17	52.2 Å²	52.2	10%	0.103	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-44.7	175.6	172.9	0	0	0	0	111.8	I416 S417 R418 V423 L424 T425 F432 I442	I416-V421 HydrophobicContact CB-CG2 4.43Å; I416-V421 HydrophobicContact CD1-CG2 3.97Å; I416-V421 HydrophobicContact CG1-CG2 4.04Å; I416-V421 HydrophobicContact CG2-CG2 3.57Å; S417-V421 WeakPolarHBondContact O-CG2 3.48Å; S417-V421 PolarHBondContact O-N 3.19Å; R418-V421 PolarHBondContact O-N 3.39Å; V421-V423 VanDerWaalsContact C-N 3.3Å; V421-V423 PolarHBondContact O-N 2.96Å; V421-L424 PolarHBondContact O-N 3.28Å; V421-T425 VanDerWaalsContact O-CB 3.23Å; V421-T425 WeakPolarHBondContact O-CB 3.1Å; V421-T425 PolarHBondContact O-N 3.39Å; V421-T425 PolarHBondContact O-OG1 3.38Å; V421-F432 HydrophobicContact CB-CZ 4.41Å; V421-F432 HydrophobicContact CG1-CE1 4.2Å; V421-F432 HydrophobicContact CG1-CZ 3.99Å; V421-F432 HydrophobicContact CG2-CZ 4.07Å; V421-I442 HydrophobicContact CG1-CD1 4.47Å; V421-I442 HydrophobicContact CG2-CD1 4.2Å; V421-I442 HydrophobicContact CG2-CG1 4.19Å; V421-I442 HydrophobicContact CG2-CG2 4.31Å
422	N	92.3	Very high	92.2	Very high	94 Å²	94	47.4 Å²	47.4	50%	0.503	25%	0.253	S	S	.	.	H	α-helix	trans	-61.1	-42.2	178.5	-72	-10.9	0	0	0	110.9	R418 L419 E420 S426	R418-N422 WeakPolarHBondContact O-CB 3.31Å; R418-N422 PolarHBondContact O-N 2.99Å; R418-N422 PolarHBondContact O-OD1 3.17Å; L419-N422 PolarHBondContact O-N 3.27Å; E420-N422 PolarHBondContact O-N 3.22Å; N422-S426 VanDerWaalsContact O-CB 3.25Å; N422-S426 WeakPolarHBondContact O-CB 3.36Å; N422-S426 PolarHBondContact O-N 2.97Å; N422-S426 PolarHBondContact O-OG 3.15Å
423	V	90.8	Very high	92.1	Very high	20 Å²	20	54.1 Å²	54.1	12%	0.121	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-53	177.8	173.9	0	0	0	0	110.6	L269 Q270 L419 E420 V421 T425 S426 L427	L269-V423 HydrophobicContact CB-CG1 4.08Å; Q270-V423 HydrophobicContact CG-CG1 4.09Å; Q270-V423 HydrophobicContact CG-CG2 3.64Å; L419-V423 VanDerWaalsContact O-CG2 3.24Å; L419-V423 WeakPolarHBondContact O-CG2 3.49Å; L419-V423 PolarHBondContact O-N 3.39Å; L419-V423 VanDerWaalsContact O-N 3.17Å; E420-V423 PolarHBondContact O-N 3.05Å; V421-V423 VanDerWaalsContact C-N 3.3Å; V421-V423 PolarHBondContact O-N 2.96Å; V423-T425 VanDerWaalsContact C-N 3.3Å; V423-T425 PolarHBondContact O-N 3.25Å; V423-S426 PolarHBondContact O-N 3.45Å; V423-S426 PolarHBondContact O-OG 3.12Å; V423-L427 HydrophobicContact CG1-CD1 3.94Å; V423-L427 VanDerWaalsContact O-CG 3.31Å; V423-L427 WeakPolarHBondContact O-CG 3.31Å; V423-L427 PolarHBondContact O-N 3.25Å
424	L	93.3	Very high	91.9	Very high	3 Å²	3	53 Å²	53	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-38.9	-179.2	-68	175.9	0	0	0	112.6	Y286 I416 E420 V421 L427 N428 N429 F432 F492	Y286-L424 HydrophobicContact CD1-CD2 4.48Å; Y286-L424 HydrophobicContact CE1-CD1 4.32Å; Y286-L424 HydrophobicContact CE1-CD2 4.31Å; I416-L424 HydrophobicContact CD1-CD1 3.87Å; E420-L424 WeakPolarHBondContact O-CG 3.5Å; E420-L424 PolarHBondContact O-N 3.34Å; V421-L424 PolarHBondContact O-N 3.28Å; L424-L427 PolarHBondContact O-N 3.29Å; L424-N428 PolarHBondContact O-N 2.62Å; L424-N429 HydrophobicContact CD2-CB 4.41Å; L424-N429 WeakPolarHBondContact O-CB 3.5Å; L424-N429 PolarHBondContact O-N 2.96Å; L424-F432 HydrophobicContact CB-CB 4.3Å; L424-F432 HydrophobicContact CB-CD1 3.98Å; L424-F432 HydrophobicContact CB-CD2 4.48Å; L424-F432 HydrophobicContact CB-CE1 4.47Å; L424-F432 HydrophobicContact CB-CG 3.99Å; L424-F432 HydrophobicContact CD1-CB 4.37Å; L424-F432 HydrophobicContact CD1-CD2 3.69Å; L424-F432 HydrophobicContact CD1-CE2 4.14Å; L424-F432 HydrophobicContact CD1-CG 3.98Å; L424-F492 HydrophobicContact CD1-CD1 4.42Å; L424-F492 HydrophobicContact CD1-CD2 3.95Å; L424-F492 HydrophobicContact CD1-CE2 4.01Å; L424-F492 HydrophobicContact CD1-CG 4.15Å; L424-F492 HydrophobicContact CD1-CZ 4.3Å; L424-F492 HydrophobicContact CD2-CB 3.83Å; L424-F492 HydrophobicContact CD2-CD2 4.4Å; L424-F492 HydrophobicContact CD2-CG 4.04Å
425	T	92.8	Very high	91.7	Very high	82 Å²	82	53.6 Å²	53.6	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-44.4	175.7	-56.2	0	0	0	0	111.4	V421 V423 L427 N428	V421-T425 VanDerWaalsContact O-CB 3.23Å; V421-T425 WeakPolarHBondContact O-CB 3.1Å; V421-T425 PolarHBondContact O-N 3.39Å; V421-T425 PolarHBondContact O-OG1 3.38Å; V423-T425 VanDerWaalsContact C-N 3.3Å; V423-T425 PolarHBondContact O-N 3.25Å; T425-L427 PolarHBondContact O-N 2.97Å; T425-N428 PolarHBondContact O-N 2.95Å
426	S	90.6	Very high	91.2	Very high	91 Å²	91	56.4 Å²	56.4	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-62.7	-30	178.3	76	0	0	0	0	113	N422 V423 N428	N422-S426 VanDerWaalsContact O-CB 3.25Å; N422-S426 WeakPolarHBondContact O-CB 3.36Å; N422-S426 PolarHBondContact O-N 2.97Å; N422-S426 PolarHBondContact O-OG 3.15Å; V423-S426 PolarHBondContact O-N 3.45Å; V423-S426 PolarHBondContact O-OG 3.12Å; S426-N428 VanDerWaalsContact C-N 3.28Å
427	L	88.6	Confident	90.9	Very high	56 Å²	56	64.5 Å²	64.5	29%	0.293	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-2.1	177.2	-66.6	172.5	0	0	0	113.2	L269 V423 L424 T425 N429	L269-L427 HydrophobicContact CB-CD1 3.96Å; L269-L427 HydrophobicContact CD2-CD1 3.74Å; L269-L427 HydrophobicContact CG-CD1 4.37Å; V423-L427 HydrophobicContact CG1-CD1 3.94Å; V423-L427 VanDerWaalsContact O-CG 3.31Å; V423-L427 WeakPolarHBondContact O-CG 3.31Å; V423-L427 PolarHBondContact O-N 3.25Å; L424-L427 PolarHBondContact O-N 3.29Å; T425-L427 PolarHBondContact O-N 2.97Å; L427-N429 VanDerWaalsContact C-N 3.26Å; L427-N429 PolarHBondContact O-N 3.44Å
428	N	89.9	Confident	90.6	Very high	93 Å²	93	70.3 Å²	70.3	50%	0.497	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	44.5	-176.1	-171.9	19.1	0	0	0	112	L424 T425 S426 S430 R433	L424-N428 PolarHBondContact O-N 2.62Å; T425-N428 PolarHBondContact O-N 2.95Å; S426-N428 VanDerWaalsContact C-N 3.28Å; N428-S430 PolarHBondContact O-N 2.97Å; N428-R433 PolarHBondContact OD1-NE 2.03Å; N428-R433 VanDerWaalsContact OD1-NE 3.09Å; N428-R433 PolarHBondContact OD1-NH1 3.15Å; N428-R433 PolarHBondContact OD1-NH2 2.78Å
429	N	91.6	Very high	90.5	Very high	26 Å²	26	66.8 Å²	66.8	14%	0.139	35%	0.352	C	S	.	.			trans	-65.9	121.5	-174.9	-170.5	-79.2	0	0	0	111.2	L424 L427 H431 F432 R433 F492	L424-N429 HydrophobicContact CD2-CB 4.41Å; L424-N429 WeakPolarHBondContact O-CB 3.5Å; L424-N429 PolarHBondContact O-N 2.96Å; L427-N429 VanDerWaalsContact C-N 3.26Å; L427-N429 PolarHBondContact O-N 3.44Å; N429-H431 WeakPolarHBondContact OD1-CB 3.31Å; N429-H431 PolarHBondContact OD1-N 3.32Å; N429-H431 VanDerWaalsContact OD1-N 3.15Å; N429-F432 HydrophobicContact CB-CB 4.03Å; N429-F432 PolarHBondContact OD1-N 2.89Å; N429-R433 WeakPolarHBondContact O-CG 3.37Å; N429-R433 PolarHBondContact O-N 2.88Å; N429-F492 PolarHBondContact ND2-O 3.45Å
430	S	91.1	Very high	90.8	Very high	76 Å²	76	64.9 Å²	64.9	53%	0.531	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-44.5	-177.5	51.1	0	0	0	0	112.4	N428 F432 R433 E434	N428-S430 PolarHBondContact O-N 2.97Å; S430-F432 PolarHBondContact O-N 2.92Å; S430-R433 PolarHBondContact O-N 3.34Å; S430-E434 PolarHBondContact O-N 3.07Å
431	H	91.6	Very high	91	Very high	73 Å²	73	66.4 Å²	66.4	34%	0.338	35%	0.35	S	S	.	.	H	α-helix	trans	-65.5	-38.7	-178.6	-65.8	-51.9	0	0	0	112.6	F404 N429 R433 E434 F492	F404-H431 HydrophobicContact CD1-CB 4.28Å; F404-H431 HydrophobicContact CD2-CB 3.65Å; F404-H431 AromaticContact CD2-CG 3.68Å; F404-H431 AromaticContact CD2-ND1 3.52Å; F404-H431 HydrophobicContact CE1-CB 4.17Å; F404-H431 HydrophobicContact CE2-CB 3.53Å; F404-H431 AromaticContact CE2-CG 3.49Å; F404-H431 VanDerWaalsContact CE2-CG 3.49Å; F404-H431 AromaticContact CE2-ND1 3.73Å; F404-H431 HydrophobicContact CG-CB 4.03Å; F404-H431 HydrophobicContact CZ-CB 3.79Å; N429-H431 WeakPolarHBondContact OD1-CB 3.31Å; N429-H431 PolarHBondContact OD1-N 3.32Å; N429-H431 VanDerWaalsContact OD1-N 3.15Å; H431-R433 VanDerWaalsContact C-N 3.29Å; H431-R433 PolarHBondContact O-N 2.82Å; H431-E434 PolarHBondContact O-N 3.44Å; H431-F492 HydrophobicContact CB-CD1 4.18Å
432	F	92.2	Very high	91.1	Very high	19 Å²	19	68.9 Å²	68.9	8%	0.083	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-36.8	175.6	-175.3	-114.4	0	0	0	112.2	I416 V421 L424 N429 S430 E434 I435 L440 F492	I416-F432 HydrophobicContact CD1-CE2 4.2Å; V421-F432 HydrophobicContact CB-CZ 4.41Å; V421-F432 HydrophobicContact CG1-CE1 4.2Å; V421-F432 HydrophobicContact CG1-CZ 3.99Å; V421-F432 HydrophobicContact CG2-CZ 4.07Å; L424-F432 HydrophobicContact CB-CB 4.3Å; L424-F432 HydrophobicContact CB-CD1 3.98Å; L424-F432 HydrophobicContact CB-CD2 4.48Å; L424-F432 HydrophobicContact CB-CE1 4.47Å; L424-F432 HydrophobicContact CB-CG 3.99Å; L424-F432 HydrophobicContact CD1-CB 4.37Å; L424-F432 HydrophobicContact CD1-CD2 3.69Å; L424-F432 HydrophobicContact CD1-CE2 4.14Å; L424-F432 HydrophobicContact CD1-CG 3.98Å; N429-F432 HydrophobicContact CB-CB 4.03Å; N429-F432 PolarHBondContact OD1-N 2.89Å; S430-F432 PolarHBondContact O-N 2.92Å; F432-E434 VanDerWaalsContact C-N 3.28Å; F432-E434 PolarHBondContact O-N 3.3Å; F432-I435 HydrophobicContact CD2-CD1 4.46Å; F432-I435 PolarHBondContact O-N 3.25Å; F432-L440 HydrophobicContact CE2-CD1 4.06Å; F432-L440 HydrophobicContact CE2-CD2 4.22Å; F432-L440 HydrophobicContact CZ-CD1 3.9Å; F432-F492 HydrophobicContact CB-CD1 4.16Å; F432-F492 HydrophobicContact CB-CE1 3.92Å; F432-F492 HydrophobicContact CD2-CE1 4.02Å; F432-F492 HydrophobicContact CD2-CZ 4.05Å; F432-F492 HydrophobicContact CG-CE1 4.48Å
433	R	89.9	Confident	91.2	Very high	174 Å²	174	65.6 Å²	65.6	66%	0.657	34%	0.344	S	S	*	.	H	α-helix	trans	-70.1	-19.6	176.8	-71.2	177.9	169.8	-161	-2.7	114.5	N428 N429 S430 H431 I435	N428-R433 PolarHBondContact OD1-NE 2.03Å; N428-R433 VanDerWaalsContact OD1-NE 3.09Å; N428-R433 PolarHBondContact OD1-NH1 3.15Å; N428-R433 PolarHBondContact OD1-NH2 2.78Å; N429-R433 WeakPolarHBondContact O-CG 3.37Å; N429-R433 PolarHBondContact O-N 2.88Å; S430-R433 PolarHBondContact O-N 3.34Å; H431-R433 VanDerWaalsContact C-N 3.29Å; H431-R433 PolarHBondContact O-N 2.82Å; R433-I435 PolarHBondContact O-N 3.29Å
434	E	89.7	Confident	91.2	Very high	74 Å²	74	70.5 Å²	70.5	35%	0.346	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-16	175.6	-64.7	-168.6	139.8	0	0	112.3	F404 R405 S430 H431 F432	F404-E434 HydrophobicContact CB-CB 4.31Å; R405-E434 HydrophobicContact CG-CB 4.43Å; R405-E434 IonicContact CZ-OE1 2.83Å; R405-E434 IonicContact NE-OE1 3.25Å; R405-E434 PolarHBondContact NE-OE1 3.24Å; R405-E434 IonicContact NE-OE2 3.55Å; R405-E434 IonicContact NH2-OE1 2.61Å; R405-E434 PolarHBondContact NH2-OE1 3.25Å; S430-E434 PolarHBondContact O-N 3.07Å; H431-E434 PolarHBondContact O-N 3.44Å; F432-E434 VanDerWaalsContact C-N 3.28Å; F432-E434 PolarHBondContact O-N 3.3Å
435	I	89.9	Confident	91	Very high	13 Å²	13	74.3 Å²	74.3	7%	0.067	39%	0.39	C	S	.	.	S	Bend	trans	-88.1	125	179.9	-51.3	169.5	0	0	0	108.8	F404 I407 M414 F432 R433 H439 L440 F492	F404-I435 HydrophobicContact CD1-CD1 4.02Å; F404-I435 HydrophobicContact CD1-CG1 4.29Å; I407-I435 HydrophobicContact CD1-CD1 4.42Å; M414-I435 HydrophobicContact CE-CD1 3.46Å; M414-I435 VanDerWaalsContact CE-CD1 3.46Å; M414-I435 HydrophobicContact SD-CD1 3.94Å; F432-I435 HydrophobicContact CD2-CD1 4.46Å; F432-I435 PolarHBondContact O-N 3.25Å; R433-I435 PolarHBondContact O-N 3.29Å; I435-H439 HydrophobicContact CG2-CB 4.34Å; I435-L440 HydrophobicContact CB-CD2 4.44Å; I435-L440 HydrophobicContact CG2-CD2 3.7Å; I435-L440 HydrophobicContact CG2-CG 4.12Å; I435-F492 HydrophobicContact CD1-CE1 3.95Å; I435-F492 HydrophobicContact CD1-CZ 3.88Å
436	S	87.7	Confident	90.6	Very high	58 Å²	58	73.4 Å²	73.4	41%	0.406	38%	0.381	S	S	.	.			trans	-67.3	144.3	175.7	-178	0	0	0	0	111.5	D438 H439	S436-D438 PolarHBondContact O-N 2.87Å; S436-H439 PolarHBondContact O-N 2.98Å
437	E	87.3	Confident	90.4	Very high	170 Å²	170	70.3 Å²	70.3	79%	0.794	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-57.3	-32.4	178.1	-66	-175	175.6	0	0	112.6	H439 L440	E437-H439 PolarHBondContact O-N 2.88Å; E437-L440 PolarHBondContact O-N 3.46Å
438	D	87.9	Confident	90.5	Very high	126 Å²	126	73.1 Å²	73.1	67%	0.674	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-64	-23.1	178.5	-65.2	-39.4	0	0	0	113.7	S436	S436-D438 PolarHBondContact O-N 2.87Å
439	H	90.9	Very high	90.6	Very high	39 Å²	39	68.8 Å²	68.8	18%	0.181	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-96	2.9	177.8	-70.1	-94.7	0	0	0	112.8	G408 T410 L412 K413 M414 I435 S436 E437	G408-H439 PolarHBondContact O-NE2 3.3Å; T410-H439 PolarHBondContact O-CE1 3.02Å; T410-H439 VanDerWaalsContact O-CE1 3.28Å; L412-H439 PolarHBondContact O-ND1 2.89Å; K413-H439 CarbonylContact C-O 3.44Å; K413-H439 WeakPolarHBondContact CA-O 3.47Å; M414-H439 PolarHBondContact N-O 3.41Å; I435-H439 HydrophobicContact CG2-CB 4.34Å; S436-H439 PolarHBondContact O-N 2.98Å; E437-H439 PolarHBondContact O-N 2.88Å
440	L	93.9	Very high	90.6	Very high	29 Å²	29	68.8 Å²	68.8	15%	0.152	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.2	176.2	-62.5	178.7	0	0	0	110.7	M414 F432 I435 E437 I442	M414-L440 HydrophobicContact CB-CD2 4.13Å; M414-L440 HydrophobicContact SD-CD2 4.25Å; F432-L440 HydrophobicContact CE2-CD1 4.06Å; F432-L440 HydrophobicContact CE2-CD2 4.22Å; F432-L440 HydrophobicContact CZ-CD1 3.9Å; I435-L440 HydrophobicContact CB-CD2 4.44Å; I435-L440 HydrophobicContact CG2-CD2 3.7Å; I435-L440 HydrophobicContact CG2-CG 4.12Å; E437-L440 PolarHBondContact O-N 3.46Å; L440-I442 HydrophobicContact CB-CG1 4.48Å
441	L	95	Very high	90.6	Very high	61 Å²	61	70 Å²	70	32%	0.319	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	103.1	169.1	-174.3	66.6	0	0	0	108.6	M414 A415 I416 F443 F460	M414-L441 PolarHBondContact O-N 2.92Å; A415-L441 WeakPolarHBondContact CA-O 3.41Å; I416-L441 PolarHBondContact N-O 2.59Å; L441-F443 HydrophobicContact CD2-CE2 3.61Å; L441-F443 HydrophobicContact CD2-CZ 3.79Å; L441-F443 HydrophobicContact CG-CD2 4.43Å; L441-F443 HydrophobicContact CG-CE2 3.71Å; L441-F443 HydrophobicContact CG-CZ 4.2Å; L441-F460 HydrophobicContact CD2-CD1 4.24Å; L441-F460 HydrophobicContact CD2-CE1 3.48Å; L441-F460 VanDerWaalsContact CD2-CE1 3.48Å; L441-F460 HydrophobicContact CD2-CZ 3.87Å
442	I	95.9	Very high	90.7	Very high	69 Å²	69	68 Å²	68	35%	0.354	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	123.2	-173.5	-54	175	0	0	0	109.9	I416 R418 V421 L440	I416-I442 HydrophobicContact CG2-CG1 4.23Å; I416-I442 CarbonylContact O-C 3.54Å; I416-I442 VanDerWaalsContact O-CA 3.31Å; I416-I442 WeakPolarHBondContact O-CA 3.14Å; R418-I442 HydrophobicContact CB-CG2 4.02Å; V421-I442 HydrophobicContact CG1-CD1 4.47Å; V421-I442 HydrophobicContact CG2-CD1 4.2Å; V421-I442 HydrophobicContact CG2-CG1 4.19Å; V421-I442 HydrophobicContact CG2-CG2 4.31Å; L440-I442 HydrophobicContact CB-CG1 4.48Å
443	F	94.6	Very high	90.7	Very high	26 Å²	26	68.1 Å²	68.1	11%	0.114	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.1	175.2	-74	-95.1	0	0	0	111.2	A415 I416 S417 R418 L441 E448 Y449 L452	A415-F443 HydrophobicContact CB-CE2 4.03Å; I416-F443 PolarHBondContact O-N 3.01Å; S417-F443 CarbonylContact C-O 3.58Å; S417-F443 WeakPolarHBondContact CA-O 3.33Å; R418-F443 PolarHBondContact N-O 3.23Å; L441-F443 HydrophobicContact CD2-CE2 3.61Å; L441-F443 HydrophobicContact CD2-CZ 3.79Å; L441-F443 HydrophobicContact CG-CD2 4.43Å; L441-F443 HydrophobicContact CG-CE2 3.71Å; L441-F443 HydrophobicContact CG-CZ 4.2Å; F443-E448 HydrophobicContact CD1-CB 4.46Å; F443-E448 HydrophobicContact CD1-CG 4.11Å; F443-E448 HydrophobicContact CE1-CG 4.1Å; F443-Y449 HydrophobicContact CD2-CD2 4.34Å; F443-L452 HydrophobicContact CE1-CD2 4.33Å; F443-L452 HydrophobicContact CE2-CD2 3.76Å; F443-L452 HydrophobicContact CZ-CD2 3.46Å; F443-L452 VanDerWaalsContact CZ-CD2 3.46Å
444	D	90.6	Very high	90.7	Very high	122 Å²	122	62 Å²	62	65%	0.652	32%	0.324	S	S	*	.	S	Bend	trans	-80.8	-41.7	175.5	-66.5	-29.3	0	0	0	111.7	R418	R418-D444 IonicContact CZ-OD1 3.01Å; R418-D444 IonicContact NE-OD1 3.93Å; R418-D444 PolarHBondContact NE-OD1 3.17Å; R418-D444 IonicContact NH2-OD1 2.73Å; R418-D444 PolarHBondContact NH2-OD1 3.28Å; R418-D444 IonicContact NH2-OD2 3.98Å
445	D	88.4	Confident	90.8	Very high	83 Å²	83	61.2 Å²	61.2	44%	0.444	33%	0.327	S	S	.	.			trans	-85.5	114.7	174.3	-173.9	0	0	0	0	110.8	S447 E448 Y449	D445-S447 PolarHBondContact O-N 3.37Å; D445-S447 VanDerWaalsContact OD1-CB 3.29Å; D445-S447 WeakPolarHBondContact OD1-CB 3.49Å; D445-S447 PolarHBondContact OD1-N 3.29Å; D445-S447 PolarHBondContact OD1-OG 3.35Å; D445-E448 HydrophobicContact CB-CB 4.27Å; D445-E448 PolarHBondContact O-N 3.25Å; D445-Y449 PolarHBondContact O-N 2.64Å
446	I	85.3	Confident	90.9	Very high	64 Å²	64	61 Å²	61	33%	0.328	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-31.2	176.3	-160.4	167	0	0	0	111.9	L419 Y449 L450	L419-I446 HydrophobicContact CD2-CD1 4.43Å; I446-Y449 PolarHBondContact O-N 2.96Å; I446-L450 HydrophobicContact CG1-CD1 4.18Å; I446-L450 HydrophobicContact CG1-CG 4.26Å; I446-L450 WeakPolarHBondContact O-CB 3.37Å; I446-L450 WeakPolarHBondContact O-CG 3.49Å; I446-L450 PolarHBondContact O-N 2.89Å
447	S	86.6	Confident	91	Very high	26 Å²	26	60.6 Å²	60.6	18%	0.182	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-45.2	179.8	-58.5	0	0	0	0	111.4	K244 D445 L450 V451	K244-S447 WeakPolarHBondContact CD-OG 3.49Å; K244-S447 PolarHBondContact NZ-OG 2.95Å; D445-S447 PolarHBondContact O-N 3.37Å; D445-S447 VanDerWaalsContact OD1-CB 3.29Å; D445-S447 WeakPolarHBondContact OD1-CB 3.49Å; D445-S447 PolarHBondContact OD1-N 3.29Å; D445-S447 PolarHBondContact OD1-OG 3.35Å; S447-L450 PolarHBondContact O-N 3.24Å; S447-V451 WeakPolarHBondContact O-CG2 3.46Å; S447-V451 PolarHBondContact O-N 2.76Å
448	E	90.9	Very high	91.2	Very high	115 Å²	115	54.4 Å²	54.4	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-45	178.3	-173.4	-178.7	-178.4	0	0	110.9	F443 D445 L450 V451 L452	F443-E448 HydrophobicContact CD1-CB 4.46Å; F443-E448 HydrophobicContact CD1-CG 4.11Å; F443-E448 HydrophobicContact CE1-CG 4.1Å; D445-E448 HydrophobicContact CB-CB 4.27Å; D445-E448 PolarHBondContact O-N 3.25Å; E448-L450 PolarHBondContact O-N 2.65Å; E448-V451 PolarHBondContact O-N 3.42Å; E448-L452 WeakPolarHBondContact O-CB 3.45Å; E448-L452 PolarHBondContact O-N 3.3Å
449	Y	92.8	Very high	91.4	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-57.8	-46.3	174.8	167	-113.7	0	0	0	112.7	A415 E420 F443 D445 I446 L452 R453 F462 P463	A415-Y449 WeakPolarHBondContact O-CE2 3.21Å; E420-Y449 WeakPolarHBondContact OE2-CE1 3.32Å; E420-Y449 PolarHBondContact OE2-OH 3.43Å; F443-Y449 HydrophobicContact CD2-CD2 4.34Å; D445-Y449 PolarHBondContact O-N 2.64Å; I446-Y449 PolarHBondContact O-N 2.96Å; Y449-L452 PolarHBondContact O-N 3.2Å; Y449-R453 WeakPolarHBondContact O-CB 3.45Å; Y449-R453 PolarHBondContact O-N 2.9Å; Y449-F462 HydrophobicContact CE2-CD1 4.04Å; Y449-P463 WeakPolarHBondContact OH-CD 3.01Å; Y449-P463 WeakPolarHBondContact OH-CG 3.42Å; Y449-P463 PolarHBondContact OH-O 3.33Å
450	L	90.3	Very high	91.6	Very high	26 Å²	26	51.5 Å²	51.5	14%	0.136	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-44.6	179.4	-69.3	170	0	0	0	111.3	L196 I446 S447 E448 R453 D454	L196-L450 HydrophobicContact CD2-CD1 3.49Å; L196-L450 VanDerWaalsContact CD2-CD1 3.49Å; L196-L450 HydrophobicContact CD2-CD2 3.93Å; L196-L450 HydrophobicContact CD2-CG 4.38Å; I446-L450 HydrophobicContact CG1-CD1 4.18Å; I446-L450 HydrophobicContact CG1-CG 4.26Å; I446-L450 WeakPolarHBondContact O-CB 3.37Å; I446-L450 WeakPolarHBondContact O-CG 3.49Å; I446-L450 PolarHBondContact O-N 2.89Å; S447-L450 PolarHBondContact O-N 3.24Å; E448-L450 PolarHBondContact O-N 2.65Å; L450-R453 PolarHBondContact O-N 2.98Å; L450-D454 VanDerWaalsContact O-CB 3.3Å; L450-D454 WeakPolarHBondContact O-CB 3.26Å; L450-D454 PolarHBondContact O-N 3.25Å
451	V	91.4	Very high	91.7	Very high	102 Å²	102	50.1 Å²	50.1	62%	0.618	27%	0.274	S	S	*	.	H	α-helix	trans	-62.1	-44.6	176.7	171.7	0	0	0	0	111.2	S447 E448 R453 D454 S455	S447-V451 WeakPolarHBondContact O-CG2 3.46Å; S447-V451 PolarHBondContact O-N 2.76Å; E448-V451 PolarHBondContact O-N 3.42Å; V451-R453 VanDerWaalsContact C-N 3.34Å; V451-R453 PolarHBondContact O-N 2.86Å; V451-D454 PolarHBondContact O-N 3.13Å; V451-S455 WeakPolarHBondContact O-CB 3.44Å; V451-S455 PolarHBondContact O-N 3.28Å
452	L	93.4	Very high	91.7	Very high	32 Å²	32	47.2 Å²	47.2	17%	0.168	26%	0.259	C	S	.	.	H	α-helix	trans	-60.9	-44.5	177.6	179.1	64.7	0	0	0	111.3	A415 F443 E448 Y449 S455 N457 F460 F462	A415-L452 HydrophobicContact CB-CD2 4.38Å; F443-L452 HydrophobicContact CE1-CD2 4.33Å; F443-L452 HydrophobicContact CE2-CD2 3.76Å; F443-L452 HydrophobicContact CZ-CD2 3.46Å; F443-L452 VanDerWaalsContact CZ-CD2 3.46Å; E448-L452 WeakPolarHBondContact O-CB 3.45Å; E448-L452 PolarHBondContact O-N 3.3Å; Y449-L452 PolarHBondContact O-N 3.2Å; L452-S455 PolarHBondContact O-N 3.17Å; L452-S455 PolarHBondContact O-OG 3.33Å; L452-N457 HydrophobicContact CD1-CB 4.1Å; L452-F460 HydrophobicContact CD1-CE2 4.46Å; L452-F460 HydrophobicContact CD2-CD2 4.36Å; L452-F460 HydrophobicContact CD2-CE2 4.39Å; L452-F462 HydrophobicContact CD2-CE1 4.2Å; L452-F462 HydrophobicContact CD2-CZ 4.46Å; L452-F462 HydrophobicContact CG-CE1 4.04Å; L452-F462 HydrophobicContact CG-CZ 4.03Å
453	R	92.8	Very high	91.7	Very high	20 Å²	20	44 Å²	44	8%	0.075	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-43.1	178	-173.3	-176.6	70.1	-174.2	-0.5	112.2	Y449 L450 V451 S455 F456 F462 Y472	Y449-R453 WeakPolarHBondContact O-CB 3.45Å; Y449-R453 PolarHBondContact O-N 2.9Å; L450-R453 PolarHBondContact O-N 2.98Å; V451-R453 VanDerWaalsContact C-N 3.34Å; V451-R453 PolarHBondContact O-N 2.86Å; R453-S455 PolarHBondContact O-N 3.33Å; R453-F456 PolarHBondContact O-N 3.36Å; R453-F462 HydrophobicContact CB-CD1 3.76Å; R453-F462 HydrophobicContact CB-CE1 3.96Å; R453-F462 HydrophobicContact CB-CG 4.22Å; R453-F462 HydrophobicContact CG-CB 3.83Å; R453-F462 HydrophobicContact CG-CD1 3.75Å; R453-F462 HydrophobicContact CG-CD2 4.33Å; R453-F462 HydrophobicContact CG-CE1 4.37Å; R453-F462 HydrophobicContact CG-CG 3.72Å; R453-Y472 WeakPolarHBondContact CG-OH 3.41Å; R453-Y472 PolarHBondContact NE-OH 3.44Å
454	D	90.6	Very high	91.7	Very high	46 Å²	46	42.8 Å²	42.8	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-69.7	-16.2	178.9	-68.3	-23.2	0	0	0	112.3	L450 V451 F456 R468 Y472	L450-D454 VanDerWaalsContact O-CB 3.3Å; L450-D454 WeakPolarHBondContact O-CB 3.26Å; L450-D454 PolarHBondContact O-N 3.25Å; V451-D454 PolarHBondContact O-N 3.13Å; D454-F456 VanDerWaalsContact C-N 3.31Å; D454-F456 WeakPolarHBondContact O-CD2 3.46Å; D454-F456 PolarHBondContact O-N 2.82Å; D454-R468 IonicContact OD1-CZ 2.98Å; D454-R468 IonicContact OD1-NE 3.38Å; D454-R468 IonicContact OD1-NH2 2.76Å; D454-R468 PolarHBondContact OD1-NH2 2.72Å; D454-R468 IonicContact OD2-NH2 3.26Å; D454-Y472 PolarHBondContact OD1-OH 2.93Å
455	S	90.6	Very high	91.9	Very high	58 Å²	58	37.9 Å²	37.9	41%	0.406	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.3	177.4	77.4	0	0	0	0	115.3	V451 L452 R453 N457	V451-S455 WeakPolarHBondContact O-CB 3.44Å; V451-S455 PolarHBondContact O-N 3.28Å; L452-S455 PolarHBondContact O-N 3.17Å; L452-S455 PolarHBondContact O-OG 3.33Å; R453-S455 PolarHBondContact O-N 3.33Å; S455-N457 VanDerWaalsContact C-N 3.3Å; S455-N457 PolarHBondContact O-N 3.36Å
456	F	91.1	Very high	92.1	Very high	7 Å²	7	36 Å²	36	3%	0.031	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	39.1	-176.9	-70.4	-97.6	0	0	0	114	R453 D454 T458 Y472 Q475 Q476 F479 A483 F484 L547	R453-F456 PolarHBondContact O-N 3.36Å; D454-F456 VanDerWaalsContact C-N 3.31Å; D454-F456 WeakPolarHBondContact O-CD2 3.46Å; D454-F456 PolarHBondContact O-N 2.82Å; F456-T458 PolarHBondContact O-N 3.47Å; F456-Y472 HydrophobicContact CE1-CD1 4.31Å; F456-Y472 AromaticContact CE2-CD1 3.92Å; F456-Y472 HydrophobicContact CE2-CD1 3.92Å; F456-Y472 HydrophobicContact CE2-CE1 4.38Å; F456-Y472 AromaticContact CZ-CD1 3.51Å; F456-Y472 HydrophobicContact CZ-CD1 3.51Å; F456-Y472 HydrophobicContact CZ-CE1 4.35Å; F456-Y472 HydrophobicContact CZ-CG 4.07Å; F456-Q475 HydrophobicContact CE2-CG 4.41Å; F456-Q475 VanDerWaalsContact CE2-OE1 3.31Å; F456-Q475 HydrophobicContact CZ-CB 4.44Å; F456-Q475 HydrophobicContact CZ-CG 4.39Å; F456-Q476 HydrophobicContact CD1-CG 4.41Å; F456-Q476 HydrophobicContact CE1-CG 3.59Å; F456-Q476 HydrophobicContact CZ-CG 4.18Å; F456-F479 AromaticContact CD1-CE2 3.95Å; F456-F479 HydrophobicContact CD1-CE2 3.95Å; F456-F479 HydrophobicContact CD1-CZ 4.49Å; F456-F479 HydrophobicContact CD2-CZ 4.4Å; F456-F479 AromaticContact CE1-CE2 3.99Å; F456-F479 HydrophobicContact CE1-CE2 3.99Å; F456-F479 HydrophobicContact CE1-CZ 4.38Å; F456-F479 HydrophobicContact CE2-CZ 4.28Å; F456-F479 HydrophobicContact CG-CE2 4.26Å; F456-F479 HydrophobicContact CG-CZ 4.49Å; F456-F479 HydrophobicContact CZ-CE2 4.31Å; F456-F479 HydrophobicContact CZ-CZ 4.25Å; F456-A483 HydrophobicContact CD1-CB 4.28Å; F456-F484 HydrophobicContact CB-CE2 3.99Å; F456-F484 AromaticContact CD1-CD2 3.73Å; F456-F484 HydrophobicContact CD1-CD2 3.73Å; F456-F484 HydrophobicContact CD1-CE2 4.03Å; F456-F484 HydrophobicContact CG-CE2 4.46Å; F456-F484 WeakPolarHBondContact O-CE2 3.37Å; F456-L547 HydrophobicContact CB-CB 4.5Å; F456-L547 HydrophobicContact CD2-CB 4.49Å; F456-L547 HydrophobicContact CD2-CD1 3.87Å; F456-L547 HydrophobicContact CE2-CD1 4.34Å
457	N	91.7	Very high	92.4	Very high	50 Å²	50	33.5 Å²	33.5	27%	0.267	19%	0.191	S	C	.	.			trans	-72.1	102.8	178.8	-170.8	-24.9	0	0	0	112.2	L452 S455 S459 F460 F484	L452-N457 HydrophobicContact CD1-CB 4.1Å; S455-N457 VanDerWaalsContact C-N 3.3Å; S455-N457 PolarHBondContact O-N 3.36Å; N457-S459 PolarHBondContact O-N 2.69Å; N457-S459 VanDerWaalsContact OD1-CB 3.23Å; N457-S459 WeakPolarHBondContact OD1-CB 3.45Å; N457-S459 PolarHBondContact OD1-N 2.78Å; N457-S459 PolarHBondContact OD1-OG 2.61Å; N457-F460 HydrophobicContact CB-CD2 4.34Å; N457-F460 PolarHBondContact O-N 3.44Å; N457-F484 WeakPolarHBondContact O-CZ 3.43Å
458	T	91.1	Very high	92.6	Very high	40 Å²	40	33 Å²	33	25%	0.245	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	0.6	-177.1	54.5	0	0	0	0	115.3	P291 F456 A483 F484	P291-T458 HydrophobicContact CB-CG2 4.33Å; P291-T458 WeakPolarHBondContact CG-O 3.45Å; F456-T458 PolarHBondContact O-N 3.47Å; T458-A483 HydrophobicContact CG2-CB 4.25Å; T458-F484 HydrophobicContact CG2-CE2 3.82Å; T458-F484 HydrophobicContact CG2-CZ 4.15Å
459	S	91.3	Very high	92.7	Very high	66 Å²	66	28.1 Å²	28.1	46%	0.462	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-12.2	173	-45.5	0	0	0	0	112.9	N457	N457-S459 PolarHBondContact O-N 2.69Å; N457-S459 VanDerWaalsContact OD1-CB 3.23Å; N457-S459 WeakPolarHBondContact OD1-CB 3.45Å; N457-S459 PolarHBondContact OD1-N 2.78Å; N457-S459 PolarHBondContact OD1-OG 2.61Å
460	F	94.8	Very high	92.5	Very high	39 Å²	39	30.9 Å²	30.9	17%	0.171	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.1	-173.1	-59.6	-75.7	0	0	0	112.7	P291 K413 A415 L441 L452 N457 F462	P291-F460 WeakPolarHBondContact CD-O 3.43Å; P291-F460 VanDerWaalsContact CG-O 3.27Å; P291-F460 WeakPolarHBondContact CG-O 3.12Å; K413-F460 HydrophobicContact CB-CD1 4.06Å; K413-F460 HydrophobicContact CB-CE1 4.24Å; K413-F460 CarbonylContact O-C 3.52Å; K413-F460 VanDerWaalsContact O-CA 3.22Å; K413-F460 WeakPolarHBondContact O-CA 3.48Å; A415-F460 HydrophobicContact CB-CB 4.17Å; A415-F460 HydrophobicContact CB-CD1 4.27Å; A415-F460 HydrophobicContact CB-CG 4.29Å; L441-F460 HydrophobicContact CD2-CD1 4.24Å; L441-F460 HydrophobicContact CD2-CE1 3.48Å; L441-F460 VanDerWaalsContact CD2-CE1 3.48Å; L441-F460 HydrophobicContact CD2-CZ 3.87Å; L452-F460 HydrophobicContact CD1-CE2 4.46Å; L452-F460 HydrophobicContact CD2-CD2 4.36Å; L452-F460 HydrophobicContact CD2-CE2 4.39Å; N457-F460 HydrophobicContact CB-CD2 4.34Å; N457-F460 PolarHBondContact O-N 3.44Å; F460-F462 HydrophobicContact CB-CD2 4.48Å; F460-F462 HydrophobicContact CB-CE1 4.12Å; F460-F462 HydrophobicContact CB-CE2 3.78Å; F460-F462 HydrophobicContact CB-CZ 3.58Å; F460-F462 HydrophobicContact CD2-CZ 4.33Å; F460-F462 HydrophobicContact CG-CZ 4.32Å
461	I	95.8	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	137	166.2	-61.6	167.6	0	0	0	107.7	L288 V290 I401 I407 L412 K413 M414 A415	L288-I461 HydrophobicContact CB-CG2 3.96Å; L288-I461 HydrophobicContact CD1-CG2 4.06Å; L288-I461 HydrophobicContact CD2-CG2 4.26Å; L288-I461 HydrophobicContact CG-CG2 4.32Å; V290-I461 HydrophobicContact CG1-CG1 4.34Å; V290-I461 HydrophobicContact CG2-CG2 3.99Å; I401-I461 HydrophobicContact CD1-CD1 3.83Å; I407-I461 HydrophobicContact CG1-CD1 4.46Å; I407-I461 HydrophobicContact CG2-CD1 4.07Å; L412-I461 HydrophobicContact CB-CD1 3.99Å; L412-I461 HydrophobicContact CB-CG1 4.16Å; L412-I461 HydrophobicContact CD1-CD1 4.25Å; L412-I461 HydrophobicContact CD1-CG1 4.19Å; K413-I461 PolarHBondContact O-N 2.98Å; M414-I461 CarbonylContact C-O 3.55Å; M414-I461 VanDerWaalsContact CA-O 3.3Å; M414-I461 WeakPolarHBondContact CA-O 3.29Å; M414-I461 HydrophobicContact CB-CB 4.44Å; M414-I461 HydrophobicContact CE-CG2 4.29Å; A415-I461 PolarHBondContact N-O 3.44Å
462	F	96.7	Very high	92.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.4	-177.7	-62.2	-80.8	0	0	0	111.1	M289 A415 Y449 L452 R453 F460 F484	M289-F462 WeakPolarHBondContact CB-O 3.15Å; M289-F462 HydrophobicContact CE-CD2 3.96Å; M289-F462 PolarHBondContact N-O 2.94Å; M289-F462 PolarHBondContact O-N 3.37Å; A415-F462 HydrophobicContact CB-CD1 3.84Å; A415-F462 HydrophobicContact CB-CE1 3.57Å; A415-F462 HydrophobicContact CB-CZ 4.47Å; Y449-F462 HydrophobicContact CE2-CD1 4.04Å; L452-F462 HydrophobicContact CD2-CE1 4.2Å; L452-F462 HydrophobicContact CD2-CZ 4.46Å; L452-F462 HydrophobicContact CG-CE1 4.04Å; L452-F462 HydrophobicContact CG-CZ 4.03Å; R453-F462 HydrophobicContact CB-CD1 3.76Å; R453-F462 HydrophobicContact CB-CE1 3.96Å; R453-F462 HydrophobicContact CB-CG 4.22Å; R453-F462 HydrophobicContact CG-CB 3.83Å; R453-F462 HydrophobicContact CG-CD1 3.75Å; R453-F462 HydrophobicContact CG-CD2 4.33Å; R453-F462 HydrophobicContact CG-CE1 4.37Å; R453-F462 HydrophobicContact CG-CG 3.72Å; F460-F462 HydrophobicContact CB-CD2 4.48Å; F460-F462 HydrophobicContact CB-CE1 4.12Å; F460-F462 HydrophobicContact CB-CE2 3.78Å; F460-F462 HydrophobicContact CB-CZ 3.58Å; F460-F462 HydrophobicContact CD2-CZ 4.33Å; F460-F462 HydrophobicContact CG-CZ 4.32Å; F462-F484 AromaticContact CD2-CE1 3.97Å; F462-F484 HydrophobicContact CD2-CE1 3.97Å; F462-F484 HydrophobicContact CD2-CZ 4.3Å; F462-F484 HydrophobicContact CE2-CE1 4.19Å; F462-F484 HydrophobicContact CE2-CZ 4.12Å
463	P	95.3	Very high	92.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	136	167.2	34.1	-33.9	0	0	0	110.4	Y286 C287 L288 A415 I416 Y449 F492	Y286-P463 HydrophobicContact CE1-CB 4.15Å; Y286-P463 HydrophobicContact CE2-CB 3.97Å; Y286-P463 VanDerWaalsContact OH-CB 3.31Å; Y286-P463 WeakPolarHBondContact OH-CB 3.37Å; Y286-P463 WeakPolarHBondContact OH-CG 3.28Å; C287-P463 WeakPolarHBondContact O-CA 3.2Å; L288-P463 HydrophobicContact CD2-CB 4.02Å; A415-P463 WeakPolarHBondContact O-CD 3.45Å; I416-P463 HydrophobicContact CB-CG 4.28Å; I416-P463 HydrophobicContact CD1-CG 4.15Å; I416-P463 HydrophobicContact CG1-CG 3.95Å; Y449-P463 WeakPolarHBondContact OH-CD 3.01Å; Y449-P463 WeakPolarHBondContact OH-CG 3.42Å; Y449-P463 PolarHBondContact OH-O 3.33Å; P463-F492 HydrophobicContact CB-CD2 4.49Å; P463-F492 HydrophobicContact CB-CE2 4.08Å
464	V	95.3	Very high	92.2	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150.8	-176.9	-66.1	0	0	0	0	110.4	C287 M289 W469 Y472 L486	C287-V464 PolarHBondContact N-O 2.89Å; C287-V464 PolarHBondContact O-N 3.36Å; C287-V464 VanDerWaalsContact O-O 3.07Å; M289-V464 HydrophobicContact CB-CG1 4Å; M289-V464 HydrophobicContact CB-CG2 3.66Å; M289-V464 HydrophobicContact SD-CG1 4.18Å; V464-W469 HydrophobicContact CG2-CB 4.34Å; V464-Y472 HydrophobicContact CG1-CE2 4.02Å; V464-L486 HydrophobicContact CG2-CD1 3.96Å
465	S	93.8	Very high	92.1	Very high	20 Å²	20	27.9 Å²	27.9	14%	0.14	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	150.3	162.3	63.3	0	0	0	0	110.1	G285 D467 R468 W469	G285-S465 CarbonylContact O-C 3.55Å; G285-S465 VanDerWaalsContact O-CA 3.23Å; G285-S465 WeakPolarHBondContact O-CA 3.23Å; S465-D467 PolarHBondContact O-N 3.33Å; S465-R468 PolarHBondContact O-N 3.22Å; S465-R468 WeakPolarHBondContact OG-CB 3.22Å; S465-R468 PolarHBondContact OG-N 3.38Å; S465-W469 PolarHBondContact O-N 3.24Å
466	V	93	Very high	92.2	Very high	44 Å²	44	25.7 Å²	25.7	27%	0.267	14%	0.139	S	C	.	.	H	α-helix	trans	-58.3	-34.8	174.8	178.9	0	0	0	0	110.8	T284 G285 R468 W469 N470 L486	T284-V466 PolarHBondContact OG1-N 3.36Å; G285-V466 PolarHBondContact O-N 2.83Å; V466-R468 PolarHBondContact O-N 3.45Å; V466-W469 WeakPolarHBondContact O-CB 3.35Å; V466-W469 PolarHBondContact O-N 3.24Å; V466-N470 PolarHBondContact O-N 2.99Å; V466-N470 VanDerWaalsContact O-N 3.12Å; V466-N470 PolarHBondContact O-OD1 3.39Å; V466-L486 HydrophobicContact CG1-CD2 4.49Å; V466-L486 HydrophobicContact CG2-CD2 4.28Å
467	D	90.5	Very high	92.2	Very high	10 Å²	10	32 Å²	32	5%	0.053	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-38.3	175.3	-62.5	-68.6	0	0	0	113.4	T284 S465 K529	T284-D467 WeakPolarHBondContact CB-OD2 3.23Å; T284-D467 PolarHBondContact OG1-N 3.1Å; T284-D467 PolarHBondContact OG1-OD2 2.83Å; S465-D467 PolarHBondContact O-N 3.33Å; D467-K529 WeakPolarHBondContact OD1-CE 3.05Å; D467-K529 IonicContact OD1-NZ 2.99Å; D467-K529 PolarHBondContact OD1-NZ 3.41Å
468	R	91	Very high	92.1	Very high	15 Å²	15	32.6 Å²	32.6	6%	0.057	17%	0.169	C	C	.	.	H	α-helix	trans	-72	-36.6	176.1	-178.6	63.2	-172.4	113.6	-10.3	110.6	V197 D454 S465 V466 N470 G471 Y472	V197-R468 WeakPolarHBondContact O-CD 3.29Å; V197-R468 PolarHBondContact O-NE 3.19Å; D454-R468 IonicContact OD1-CZ 2.98Å; D454-R468 IonicContact OD1-NE 3.38Å; D454-R468 IonicContact OD1-NH2 2.76Å; D454-R468 PolarHBondContact OD1-NH2 2.72Å; D454-R468 IonicContact OD2-NH2 3.26Å; S465-R468 PolarHBondContact O-N 3.22Å; S465-R468 WeakPolarHBondContact OG-CB 3.22Å; S465-R468 PolarHBondContact OG-N 3.38Å; V466-R468 PolarHBondContact O-N 3.45Å; R468-N470 VanDerWaalsContact C-N 3.34Å; R468-N470 PolarHBondContact O-N 3.1Å; R468-G471 PolarHBondContact O-N 3.21Å; R468-Y472 HydrophobicContact CG-CD2 4.33Å; R468-Y472 HydrophobicContact CG-CE2 3.65Å; R468-Y472 PolarHBondContact NE-OH 2.9Å; R468-Y472 PolarHBondContact O-N 3.33Å
469	W	93.5	Very high	92	Very high	14 Å²	14	31.4 Å²	31.4	5%	0.053	16%	0.16	C	C	.	.	H	α-helix	trans	-55.7	-45.4	175.4	172.2	-101.9	0	0	0	112.3	M289 V464 S465 V466 G471 Y472 E473 Q476 F484 L486	M289-W469 HydrophobicContact CB-CE3 4.29Å; M289-W469 HydrophobicContact CB-CZ3 4.31Å; M289-W469 HydrophobicContact CG-CE3 4.16Å; M289-W469 HydrophobicContact CG-CZ3 3.79Å; M289-W469 HydrophobicContact SD-CE3 4.12Å; M289-W469 HydrophobicContact SD-CZ3 3.97Å; V464-W469 HydrophobicContact CG2-CB 4.34Å; S465-W469 PolarHBondContact O-N 3.24Å; V466-W469 WeakPolarHBondContact O-CB 3.35Å; V466-W469 PolarHBondContact O-N 3.24Å; W469-G471 PolarHBondContact O-N 3Å; W469-G471 VanDerWaalsContact O-N 3.1Å; W469-Y472 HydrophobicContact CE3-CD2 4.38Å; W469-Y472 CarbonylContact O-C 3.43Å; W469-Y472 WeakPolarHBondContact O-CA 3.23Å; W469-Y472 WeakPolarHBondContact O-CB 3.3Å; W469-Y472 PolarHBondContact O-N 3.01Å; W469-E473 HydrophobicContact CZ2-CB 4.39Å; W469-E473 PolarHBondContact NE1-OE1 3.5Å; W469-E473 PolarHBondContact O-N 2.92Å; W469-Q476 VanDerWaalsContact CH2-NE2 3.3Å; W469-F484 HydrophobicContact CH2-CB 4.21Å; W469-F484 WeakPolarHBondContact CH2-O 3.38Å; W469-F484 HydrophobicContact CZ3-CB 4.07Å; W469-L486 HydrophobicContact CB-CD1 4.16Å; W469-L486 HydrophobicContact CB-CD2 4.35Å; W469-L486 HydrophobicContact CD2-CB 3.68Å; W469-L486 HydrophobicContact CD2-CD1 4.21Å; W469-L486 HydrophobicContact CD2-CG 4.36Å; W469-L486 HydrophobicContact CE3-CB 4.28Å; W469-L486 HydrophobicContact CG-CB 3.94Å; W469-L486 HydrophobicContact CG-CD1 4.01Å; W469-L486 HydrophobicContact CG-CD2 3.89Å; W469-L486 HydrophobicContact CG-CG 4.17Å; W469-L486 HydrophobicContact CZ2-CB 3.98Å
470	N	89.7	Confident	91.8	Very high	59 Å²	59	32.3 Å²	32.3	32%	0.316	17%	0.172	S	C	.	.	H	α-helix	trans	-53.5	-37.7	179.5	-65.2	-12.9	0	0	0	112.1	V466 R468 E473 E474	V466-N470 PolarHBondContact O-N 2.99Å; V466-N470 VanDerWaalsContact O-N 3.12Å; V466-N470 PolarHBondContact O-OD1 3.39Å; R468-N470 VanDerWaalsContact C-N 3.34Å; R468-N470 PolarHBondContact O-N 3.1Å; N470-E473 PolarHBondContact O-N 2.93Å; N470-E474 WeakPolarHBondContact O-CG 3.48Å; N470-E474 PolarHBondContact O-N 3.11Å
471	G	88.4	Confident	91.4	Very high	6 Å²	6	34.5 Å²	34.5	6%	0.062	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-39	174.7	0	0	0	0	0	113.5	R468 W469 Q475	R468-G471 PolarHBondContact O-N 3.21Å; W469-G471 PolarHBondContact O-N 3Å; W469-G471 VanDerWaalsContact O-N 3.1Å; G471-Q475 PolarHBondContact O-N 3.5Å; G471-Q475 VanDerWaalsContact O-N 3.16Å
472	Y	91.7	Very high	91.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.2	-35	174.5	-62.4	-52.7	0	0	0	112.3	M289 R453 D454 F456 V464 R468 W469 Q475 Q476	M289-Y472 HydrophobicContact SD-CD2 3.67Å; M289-Y472 HydrophobicContact SD-CE2 3.82Å; M289-Y472 HydrophobicContact SD-CG 4.34Å; R453-Y472 WeakPolarHBondContact CG-OH 3.41Å; R453-Y472 PolarHBondContact NE-OH 3.44Å; D454-Y472 PolarHBondContact OD1-OH 2.93Å; F456-Y472 HydrophobicContact CE1-CD1 4.31Å; F456-Y472 AromaticContact CE2-CD1 3.92Å; F456-Y472 HydrophobicContact CE2-CD1 3.92Å; F456-Y472 HydrophobicContact CE2-CE1 4.38Å; F456-Y472 AromaticContact CZ-CD1 3.51Å; F456-Y472 HydrophobicContact CZ-CD1 3.51Å; F456-Y472 HydrophobicContact CZ-CE1 4.35Å; F456-Y472 HydrophobicContact CZ-CG 4.07Å; V464-Y472 HydrophobicContact CG1-CE2 4.02Å; R468-Y472 HydrophobicContact CG-CD2 4.33Å; R468-Y472 HydrophobicContact CG-CE2 3.65Å; R468-Y472 PolarHBondContact NE-OH 2.9Å; R468-Y472 PolarHBondContact O-N 3.33Å; W469-Y472 HydrophobicContact CE3-CD2 4.38Å; W469-Y472 CarbonylContact O-C 3.43Å; W469-Y472 WeakPolarHBondContact O-CA 3.23Å; W469-Y472 WeakPolarHBondContact O-CB 3.3Å; W469-Y472 PolarHBondContact O-N 3.01Å; Y472-Q475 PolarHBondContact O-N 2.91Å; Y472-Q476 WeakPolarHBondContact O-CB 3.4Å; Y472-Q476 VanDerWaalsContact O-CG 3.23Å; Y472-Q476 WeakPolarHBondContact O-CG 3.45Å; Y472-Q476 PolarHBondContact O-N 3.14Å; Y472-Q476 PolarHBondContact O-NE2 3.23Å
473	E	91.7	Very high	91	Very high	85 Å²	85	38.6 Å²	38.6	40%	0.397	21%	0.21	S	C	.	.	H	α-helix	trans	-62.8	-44.9	176	-173.2	172.3	-104.4	0	0	110.8	W469 N470 Q475 Q476 K477	W469-E473 HydrophobicContact CZ2-CB 4.39Å; W469-E473 PolarHBondContact NE1-OE1 3.5Å; W469-E473 PolarHBondContact O-N 2.92Å; N470-E473 PolarHBondContact O-N 2.93Å; E473-Q475 VanDerWaalsContact C-N 3.34Å; E473-Q475 PolarHBondContact O-N 3.41Å; E473-Q476 PolarHBondContact O-N 3.47Å; E473-K477 PolarHBondContact O-N 3Å
474	E	89.1	Confident	91	Very high	61 Å²	61	38.7 Å²	38.7	29%	0.285	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-41.2	173.3	-68.4	-54.5	142.1	0	0	112.4	N470 K477 F533	N470-E474 WeakPolarHBondContact O-CG 3.48Å; N470-E474 PolarHBondContact O-N 3.11Å; E474-K477 WeakPolarHBondContact O-CB 3.45Å; E474-K477 PolarHBondContact O-N 3.27Å; E474-K477 IonicContact OE1-NZ 3.3Å; E474-K477 PolarHBondContact OE1-NZ 3.31Å; E474-K477 WeakPolarHBondContact OE2-CE 3.33Å; E474-K477 IonicContact OE2-NZ 3.16Å; E474-K477 PolarHBondContact OE2-NZ 3.34Å; E474-F533 HydrophobicContact CB-CB 4.24Å; E474-F533 HydrophobicContact CB-CD1 4.42Å; E474-F533 HydrophobicContact CB-CG 4.34Å
475	Q	89.2	Confident	91	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-41.9	176.6	-172.1	169.4	8.2	0	0	112.2	F456 G471 Y472 E473 K477 I478 F479 F533 S543	F456-Q475 HydrophobicContact CE2-CG 4.41Å; F456-Q475 VanDerWaalsContact CE2-OE1 3.31Å; F456-Q475 HydrophobicContact CZ-CB 4.44Å; F456-Q475 HydrophobicContact CZ-CG 4.39Å; G471-Q475 PolarHBondContact O-N 3.5Å; G471-Q475 VanDerWaalsContact O-N 3.16Å; Y472-Q475 PolarHBondContact O-N 2.91Å; E473-Q475 VanDerWaalsContact C-N 3.34Å; E473-Q475 PolarHBondContact O-N 3.41Å; Q475-K477 PolarHBondContact O-N 3.27Å; Q475-I478 WeakPolarHBondContact O-CB 3.2Å; Q475-I478 PolarHBondContact O-N 3.23Å; Q475-F479 HydrophobicContact CG-CE1 4.13Å; Q475-F479 HydrophobicContact CG-CZ 4.07Å; Q475-F533 HydrophobicContact CB-CD2 3.97Å; Q475-F533 HydrophobicContact CB-CE2 3.44Å; Q475-F533 VanDerWaalsContact CB-CE2 3.44Å; Q475-F533 HydrophobicContact CB-CZ 3.85Å; Q475-F533 HydrophobicContact CG-CD2 4.46Å; Q475-F533 HydrophobicContact CG-CE2 3.49Å; Q475-F533 VanDerWaalsContact CG-CE2 3.49Å; Q475-F533 HydrophobicContact CG-CZ 3.77Å; Q475-S543 PolarHBondContact NE2-O 3.3Å
476	Q	91.9	Very high	91.1	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-68.9	-16.7	-178.9	-74.7	-179.1	105.2	0	0	113.8	F456 W469 Y472 E473 I478 F479 F484	F456-Q476 HydrophobicContact CD1-CG 4.41Å; F456-Q476 HydrophobicContact CE1-CG 3.59Å; F456-Q476 HydrophobicContact CZ-CG 4.18Å; W469-Q476 VanDerWaalsContact CH2-NE2 3.3Å; Y472-Q476 WeakPolarHBondContact O-CB 3.4Å; Y472-Q476 VanDerWaalsContact O-CG 3.23Å; Y472-Q476 WeakPolarHBondContact O-CG 3.45Å; Y472-Q476 PolarHBondContact O-N 3.14Å; Y472-Q476 PolarHBondContact O-NE2 3.23Å; E473-Q476 PolarHBondContact O-N 3.47Å; Q476-I478 PolarHBondContact O-N 3.29Å; Q476-I478 VanDerWaalsContact O-N 3.17Å; Q476-F479 HydrophobicContact CB-CD2 4.09Å; Q476-F479 HydrophobicContact CB-CE2 4.35Å; Q476-F479 HydrophobicContact CG-CD2 3.68Å; Q476-F479 HydrophobicContact CG-CE2 3.56Å; Q476-F479 HydrophobicContact CG-CZ 4.32Å; Q476-F479 WeakPolarHBondContact O-CB 3.35Å; Q476-F479 PolarHBondContact O-N 3.2Å; Q476-F484 PolarHBondContact OE1-O 3.06Å
477	K	90.5	Very high	91.2	Very high	139 Å²	139	39.1 Å²	39.1	60%	0.604	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.5	172.8	-69.5	177.2	-172.1	170.9	0	113.3	E473 E474 Q475	E473-K477 PolarHBondContact O-N 3Å; E474-K477 WeakPolarHBondContact O-CB 3.45Å; E474-K477 PolarHBondContact O-N 3.27Å; E474-K477 IonicContact OE1-NZ 3.3Å; E474-K477 PolarHBondContact OE1-NZ 3.31Å; E474-K477 WeakPolarHBondContact OE2-CE 3.33Å; E474-K477 IonicContact OE2-NZ 3.16Å; E474-K477 PolarHBondContact OE2-NZ 3.34Å; Q475-K477 PolarHBondContact O-N 3.27Å
478	I	89.6	Confident	91.2	Very high	62 Å²	62	43 Å²	43	32%	0.318	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-20.5	176.9	-56.1	158.3	0	0	0	110.9	Q475 Q476 F533 M544	Q475-I478 WeakPolarHBondContact O-CB 3.2Å; Q475-I478 PolarHBondContact O-N 3.23Å; Q476-I478 PolarHBondContact O-N 3.29Å; Q476-I478 VanDerWaalsContact O-N 3.17Å; I478-F533 HydrophobicContact CD1-CE1 3.81Å; I478-F533 HydrophobicContact CD1-CZ 3.87Å; I478-M544 HydrophobicContact CD1-CE 3.44Å; I478-M544 VanDerWaalsContact CD1-CE 3.44Å; I478-M544 HydrophobicContact CD1-SD 3.38Å; I478-M544 WeakPolarHBondContact CD1-SD 3.49Å; I478-M544 HydrophobicContact CG1-CE 4.11Å; I478-M544 WeakPolarHBondContact CG2-O 3.42Å
479	F	90.1	Very high	91.1	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.066	26%	0.262	C	S	.	.	S	Bend	trans	-74.6	148.9	-175.2	-61	-2.1	0	0	0	110.4	F456 Q475 Q476 E481 A483 E545 D546 L547	F456-F479 AromaticContact CD1-CE2 3.95Å; F456-F479 HydrophobicContact CD1-CE2 3.95Å; F456-F479 HydrophobicContact CD1-CZ 4.49Å; F456-F479 HydrophobicContact CD2-CZ 4.4Å; F456-F479 AromaticContact CE1-CE2 3.99Å; F456-F479 HydrophobicContact CE1-CE2 3.99Å; F456-F479 HydrophobicContact CE1-CZ 4.38Å; F456-F479 HydrophobicContact CE2-CZ 4.28Å; F456-F479 HydrophobicContact CG-CE2 4.26Å; F456-F479 HydrophobicContact CG-CZ 4.49Å; F456-F479 HydrophobicContact CZ-CE2 4.31Å; F456-F479 HydrophobicContact CZ-CZ 4.25Å; Q475-F479 HydrophobicContact CG-CE1 4.13Å; Q475-F479 HydrophobicContact CG-CZ 4.07Å; Q476-F479 HydrophobicContact CB-CD2 4.09Å; Q476-F479 HydrophobicContact CB-CE2 4.35Å; Q476-F479 HydrophobicContact CG-CD2 3.68Å; Q476-F479 HydrophobicContact CG-CE2 3.56Å; Q476-F479 HydrophobicContact CG-CZ 4.32Å; Q476-F479 WeakPolarHBondContact O-CB 3.35Å; Q476-F479 PolarHBondContact O-N 3.2Å; F479-E481 VanDerWaalsContact C-N 3.26Å; F479-E481 WeakPolarHBondContact CB-O 3.49Å; F479-E481 PolarHBondContact O-N 2.92Å; F479-A483 HydrophobicContact CD2-CB 4.44Å; F479-A483 HydrophobicContact CE2-CB 4.47Å; F479-E545 WeakPolarHBondContact CE1-O 3.28Å; F479-D546 WeakPolarHBondContact CA-OD1 3.47Å; F479-D546 VanDerWaalsContact CB-OD1 3.31Å; F479-D546 WeakPolarHBondContact CB-OD1 3.45Å; F479-D546 HydrophobicContact CD1-CB 4.45Å; F479-D546 WeakPolarHBondContact CD1-OD1 3.48Å; F479-D546 WeakPolarHBondContact CG-OD1 3.48Å; F479-L547 HydrophobicContact CE1-CB 4.1Å; F479-L547 HydrophobicContact CE1-CG 4.39Å; F479-L547 HydrophobicContact CE2-CB 4.21Å; F479-L547 HydrophobicContact CZ-CB 3.65Å; F479-L547 HydrophobicContact CZ-CD1 4.4Å; F479-L547 HydrophobicContact CZ-CG 4.19Å
480	A	86.8	Confident	91.2	Very high	86 Å²	86	47.9 Å²	47.9	71%	0.711	26%	0.26	S	S	*	.	S	Bend	trans	-59.5	-42.6	173.2	0	0	0	0	0	111.2	D546	A480-D546 WeakPolarHBondContact CB-OD2 3.2Å; A480-D546 PolarHBondContact N-OD2 3.46Å
481	E	85.9	Confident	91.4	Very high	85 Å²	85	45.7 Å²	45.7	40%	0.397	25%	0.249	S	C	.	.	S	Bend	trans	-133.7	143.2	170.1	-58.4	-159.9	136.5	0	0	110.2	K295 F479 A483 S548	K295-E481 WeakPolarHBondContact CE-OE1 3.42Å; K295-E481 IonicContact NZ-OE1 2.74Å; K295-E481 PolarHBondContact NZ-OE1 2.74Å; K295-E481 IonicContact NZ-OE2 2.83Å; F479-E481 VanDerWaalsContact C-N 3.26Å; F479-E481 WeakPolarHBondContact CB-O 3.49Å; F479-E481 PolarHBondContact O-N 2.92Å; E481-A483 PolarHBondContact O-N 3.16Å; E481-S548 WeakPolarHBondContact O-CB 3.32Å
482	P	91.3	Very high	91.7	Very high	75 Å²	75	45.7 Å²	45.7	49%	0.487	25%	0.248	S	C	.	.			trans	-61.1	138.3	174.1	22.9	-27.6	0	0	0	109.6	I292	I292-P482 VanDerWaalsContact CD1-C 3.44Å; I292-P482 HydrophobicContact CD1-CB 3.46Å; I292-P482 VanDerWaalsContact CD1-CB 3.46Å; I292-P482 HydrophobicContact CD1-CG 3.5Å; I292-P482 VanDerWaalsContact CD1-CG 3.5Å; I292-P482 WeakPolarHBondContact CD1-O 3.33Å
483	A	92.6	Very high	91.8	Very high	10 Å²	10	47.8 Å²	47.8	8%	0.083	26%	0.259	C	S	.	.	S	Bend	trans	-88.9	-29	-178.7	0	0	0	0	0	111.9	P291 I292 F456 T458 F479 E481	P291-A483 WeakPolarHBondContact CA-O 3.44Å; I292-A483 PolarHBondContact N-O 3.45Å; F456-A483 HydrophobicContact CD1-CB 4.28Å; T458-A483 HydrophobicContact CG2-CB 4.25Å; F479-A483 HydrophobicContact CD2-CB 4.44Å; F479-A483 HydrophobicContact CE2-CB 4.47Å; E481-A483 PolarHBondContact O-N 3.16Å
484	F	95.4	Very high	91.8	Very high	3 Å²	3	51 Å²	51	1%	0.013	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	160.9	-177.6	-70.5	-102.8	0	0	0	111	M289 V290 P291 I292 F456 N457 T458 F462 W469 Q476	M289-F484 HydrophobicContact CE-CB 4.4Å; M289-F484 HydrophobicContact CE-CD1 3.67Å; M289-F484 HydrophobicContact CE-CD2 3.92Å; M289-F484 HydrophobicContact CE-CE1 3.8Å; M289-F484 HydrophobicContact CE-CE2 4.06Å; M289-F484 HydrophobicContact CE-CG 3.73Å; M289-F484 HydrophobicContact CE-CZ 3.99Å; M289-F484 HydrophobicContact CG-CB 3.79Å; M289-F484 HydrophobicContact CG-CD1 3.45Å; M289-F484 VanDerWaalsContact CG-CD1 3.45Å; M289-F484 HydrophobicContact CG-CE1 4.25Å; M289-F484 HydrophobicContact CG-CG 3.81Å; M289-F484 HydrophobicContact SD-CB 4.48Å; M289-F484 HydrophobicContact SD-CD1 4.37Å; M289-F484 HydrophobicContact SD-CG 4.39Å; V290-F484 CarbonylContact O-C 3.59Å; V290-F484 WeakPolarHBondContact O-CA 3.07Å; V290-F484 WeakPolarHBondContact O-CB 3.46Å; V290-F484 WeakPolarHBondContact O-CD1 3.27Å; P291-F484 HydrophobicContact CB-CD1 4.41Å; P291-F484 HydrophobicContact CB-CE1 4.22Å; P291-F484 HydrophobicContact CG-CD1 4.12Å; P291-F484 HydrophobicContact CG-CE1 3.6Å; P291-F484 HydrophobicContact CG-CZ 4.17Å; P291-F484 VanDerWaalsContact N-CD1 3.32Å; I292-F484 WeakPolarHBondContact CD1-O 3.36Å; F456-F484 HydrophobicContact CB-CE2 3.99Å; F456-F484 AromaticContact CD1-CD2 3.73Å; F456-F484 HydrophobicContact CD1-CD2 3.73Å; F456-F484 HydrophobicContact CD1-CE2 4.03Å; F456-F484 HydrophobicContact CG-CE2 4.46Å; F456-F484 WeakPolarHBondContact O-CE2 3.37Å; N457-F484 WeakPolarHBondContact O-CZ 3.43Å; T458-F484 HydrophobicContact CG2-CE2 3.82Å; T458-F484 HydrophobicContact CG2-CZ 4.15Å; F462-F484 AromaticContact CD2-CE1 3.97Å; F462-F484 HydrophobicContact CD2-CE1 3.97Å; F462-F484 HydrophobicContact CD2-CZ 4.3Å; F462-F484 HydrophobicContact CE2-CE1 4.19Å; F462-F484 HydrophobicContact CE2-CZ 4.12Å; W469-F484 HydrophobicContact CH2-CB 4.21Å; W469-F484 WeakPolarHBondContact CH2-O 3.38Å; W469-F484 HydrophobicContact CZ3-CB 4.07Å; Q476-F484 PolarHBondContact OE1-O 3.06Å
485	Y	94.9	Very high	91.9	Very high	38 Å²	38	53.8 Å²	53.8	15%	0.149	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.5	166.9	70.7	-82.9	0	0	0	110.1	V290 P291 I292 Y400 I401 A487	V290-Y485 HydrophobicContact CB-CD1 4.23Å; V290-Y485 HydrophobicContact CB-CE1 3.62Å; V290-Y485 HydrophobicContact CB-CE2 4.27Å; V290-Y485 HydrophobicContact CG1-CE1 3.64Å; V290-Y485 PolarHBondContact N-O 2.87Å; V290-Y485 VanDerWaalsContact O-CD1 3.26Å; V290-Y485 WeakPolarHBondContact O-CD1 3.45Å; V290-Y485 PolarHBondContact O-N 3.16Å; P291-Y485 WeakPolarHBondContact O-CE1 3.5Å; I292-Y485 HydrophobicContact CG1-CD1 3.88Å; Y400-Y485 HydrophobicContact CD1-CD1 4.07Å; Y400-Y485 HydrophobicContact CD1-CD2 4.44Å; Y400-Y485 AromaticContact CD1-CE1 3.61Å; Y400-Y485 HydrophobicContact CD1-CE1 3.61Å; Y400-Y485 HydrophobicContact CD1-CE2 4.03Å; Y400-Y485 HydrophobicContact CD1-CG 4.46Å; Y400-Y485 AromaticContact CD1-CZ 3.59Å; Y400-Y485 AromaticContact CE1-CD1 4Å; Y400-Y485 HydrophobicContact CE1-CD1 4Å; Y400-Y485 AromaticContact CE1-CE1 3.98Å; Y400-Y485 HydrophobicContact CE1-CE1 3.98Å; Y400-Y485 HydrophobicContact CE1-CG 4.36Å; I401-Y485 PolarHBondContact N-OH 2.78Å; Y485-A487 HydrophobicContact CD2-CB 4.38Å; Y485-A487 HydrophobicContact CE2-CB 3.79Å
486	L	96.1	Very high	91.9	Very high	29 Å²	29	53.5 Å²	53.5	15%	0.152	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.8	170	-174	68.5	0	0	0	109.7	C287 V464 V466 W469 T488	C287-L486 HydrophobicContact CB-CD1 3.93Å; V464-L486 HydrophobicContact CG2-CD1 3.96Å; V466-L486 HydrophobicContact CG1-CD2 4.49Å; V466-L486 HydrophobicContact CG2-CD2 4.28Å; W469-L486 HydrophobicContact CB-CD1 4.16Å; W469-L486 HydrophobicContact CB-CD2 4.35Å; W469-L486 HydrophobicContact CD2-CB 3.68Å; W469-L486 HydrophobicContact CD2-CD1 4.21Å; W469-L486 HydrophobicContact CD2-CG 4.36Å; W469-L486 HydrophobicContact CE3-CB 4.28Å; W469-L486 HydrophobicContact CG-CB 3.94Å; W469-L486 HydrophobicContact CG-CD1 4.01Å; W469-L486 HydrophobicContact CG-CD2 3.89Å; W469-L486 HydrophobicContact CG-CG 4.17Å; W469-L486 HydrophobicContact CZ2-CB 3.98Å; L486-T488 HydrophobicContact CD2-CG2 4.26Å; L486-T488 HydrophobicContact CG-CG2 4.45Å; L486-T488 PolarHBondContact O-N 3.31Å; L486-T488 VanDerWaalsContact O-N 3.13Å
487	A	94.9	Very high	91.9	Very high	7 Å²	7	55 Å²	55	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	87.8	174.8	0	0	0	0	0	110.2	L288 V290 Y485 N489 L490	L288-A487 WeakPolarHBondContact O-CB 3.14Å; L288-A487 PolarHBondContact O-N 3.32Å; V290-A487 HydrophobicContact CG2-CB 3.94Å; Y485-A487 HydrophobicContact CD2-CB 4.38Å; Y485-A487 HydrophobicContact CE2-CB 3.79Å; A487-N489 PolarHBondContact O-N 3.46Å; A487-L490 HydrophobicContact CB-CB 3.74Å; A487-L490 HydrophobicContact CB-CD1 3.73Å; A487-L490 HydrophobicContact CB-CG 3.85Å; A487-L490 CarbonylContact O-C 3.57Å; A487-L490 WeakPolarHBondContact O-CA 3.4Å; A487-L490 PolarHBondContact O-N 2.88Å
488	T	90.3	Very high	92	Very high	90 Å²	90	49.1 Å²	49.1	55%	0.552	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	-23.2	-179.7	54.1	0	0	0	0	114.1	L486 L490 C491	L486-T488 HydrophobicContact CD2-CG2 4.26Å; L486-T488 HydrophobicContact CG-CG2 4.45Å; L486-T488 PolarHBondContact O-N 3.31Å; L486-T488 VanDerWaalsContact O-N 3.13Å; T488-L490 VanDerWaalsContact C-N 3.34Å; T488-C491 PolarHBondContact O-SG 2.87Å
489	N	90.6	Very high	92.1	Very high	131 Å²	131	46.5 Å²	46.5	70%	0.701	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	-13.2	173.6	-63.7	-30.2	0	0	0	112.9	A487	A487-N489 PolarHBondContact O-N 3.46Å
490	L	94.3	Very high	92.3	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	67.4	-179.8	-56.9	179.6	0	0	0	109.5	C287 L288 I401 S403 F404 A487 T488	C287-L490 WeakPolarHBondContact CA-O 3.49Å; L288-L490 HydrophobicContact CB-CB 4.18Å; L288-L490 HydrophobicContact CD1-CB 3.95Å; L288-L490 HydrophobicContact CD1-CD1 4.26Å; L288-L490 HydrophobicContact CG-CB 4.1Å; L288-L490 PolarHBondContact N-O 2.99Å; I401-L490 HydrophobicContact CB-CD1 4.23Å; I401-L490 HydrophobicContact CG2-CD1 3.75Å; S403-L490 VanDerWaalsContact C-CD2 3.4Å; F404-L490 HydrophobicContact CD2-CD2 3.97Å; F404-L490 HydrophobicContact CE1-CB 4.42Å; F404-L490 HydrophobicContact CE2-CB 4.35Å; F404-L490 HydrophobicContact CE2-CD2 4.11Å; F404-L490 HydrophobicContact CG-CD2 4.28Å; F404-L490 HydrophobicContact CZ-CB 4.09Å; A487-L490 HydrophobicContact CB-CB 3.74Å; A487-L490 HydrophobicContact CB-CD1 3.73Å; A487-L490 HydrophobicContact CB-CG 3.85Å; A487-L490 CarbonylContact O-C 3.57Å; A487-L490 WeakPolarHBondContact O-CA 3.4Å; A487-L490 PolarHBondContact O-N 2.88Å; T488-L490 VanDerWaalsContact C-N 3.34Å
491	C	95.2	Very high	92.6	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.081	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.4	175.5	-55.1	0	0	0	0	110.7	Y286 C287 T488 N493 Q494	Y286-C491 CarbonylContact O-C 3.47Å; Y286-C491 VanDerWaalsContact O-CA 3.31Å; Y286-C491 WeakPolarHBondContact O-CA 3.46Å; Y286-C491 WeakPolarHBondContact O-CB 3.47Å; C287-C491 HydrophobicContact CB-CB 3.96Å; C287-C491 WeakPolarHBondContact CB-SG 3.44Å; C287-C491 WeakPolarHBondContact SG-CB 3.44Å; C287-C491 CovalentContact SG-SG 2.03Å; C287-C491 PolarHBondContact SG-SG 3.32Å; T488-C491 PolarHBondContact O-SG 2.87Å; C491-N493 PolarHBondContact O-N 2.96Å; C491-Q494 HydrophobicContact CB-CG 4.04Å
492	F	94.4	Very high	92.9	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-30.9	167.9	-66.2	-56.2	0	0	0	110.7	Y286 L288 F404 M414 L424 N429 H431 F432 I435 P463	Y286-F492 HydrophobicContact CD1-CB 3.91Å; Y286-F492 AromaticContact CD1-CD2 3.76Å; Y286-F492 HydrophobicContact CD1-CD2 3.76Å; Y286-F492 HydrophobicContact CD1-CG 4.32Å; Y286-F492 HydrophobicContact CE1-CB 4.5Å; Y286-F492 AromaticContact CE1-CD2 3.65Å; Y286-F492 HydrophobicContact CE1-CD2 3.65Å; Y286-F492 HydrophobicContact CE1-CE2 4.39Å; Y286-F492 HydrophobicContact CE1-CG 4.49Å; Y286-F492 PolarHBondContact O-N 3.02Å; L288-F492 HydrophobicContact CD2-CD2 4.43Å; L288-F492 HydrophobicContact CD2-CE2 3.67Å; L288-F492 HydrophobicContact CD2-CZ 4.05Å; F404-F492 HydrophobicContact CD1-CE1 4.15Å; F404-F492 AromaticContact CE1-CD1 3.88Å; F404-F492 HydrophobicContact CE1-CD1 3.88Å; F404-F492 AromaticContact CE1-CE1 3.49Å; F404-F492 HydrophobicContact CE1-CE1 3.49Å; F404-F492 VanDerWaalsContact CE1-CE1 3.49Å; F404-F492 AromaticContact CE1-CZ 4Å; F404-F492 HydrophobicContact CE1-CZ 4Å; F404-F492 HydrophobicContact CZ-CD1 4.1Å; F404-F492 HydrophobicContact CZ-CE1 4.18Å; M414-F492 HydrophobicContact CE-CZ 4.03Å; M414-F492 HydrophobicContact SD-CE2 4.19Å; M414-F492 HydrophobicContact SD-CZ 3.81Å; L424-F492 HydrophobicContact CD1-CD1 4.42Å; L424-F492 HydrophobicContact CD1-CD2 3.95Å; L424-F492 HydrophobicContact CD1-CE2 4.01Å; L424-F492 HydrophobicContact CD1-CG 4.15Å; L424-F492 HydrophobicContact CD1-CZ 4.3Å; L424-F492 HydrophobicContact CD2-CB 3.83Å; L424-F492 HydrophobicContact CD2-CD2 4.4Å; L424-F492 HydrophobicContact CD2-CG 4.04Å; N429-F492 PolarHBondContact ND2-O 3.45Å; H431-F492 HydrophobicContact CB-CD1 4.18Å; F432-F492 HydrophobicContact CB-CD1 4.16Å; F432-F492 HydrophobicContact CB-CE1 3.92Å; F432-F492 HydrophobicContact CD2-CE1 4.02Å; F432-F492 HydrophobicContact CD2-CZ 4.05Å; F432-F492 HydrophobicContact CG-CE1 4.48Å; I435-F492 HydrophobicContact CD1-CE1 3.95Å; I435-F492 HydrophobicContact CD1-CZ 3.88Å; P463-F492 HydrophobicContact CB-CD2 4.49Å; P463-F492 HydrophobicContact CB-CE2 4.08Å
493	N	93.1	Very high	92.8	Very high	43 Å²	43	35.3 Å²	35.3	23%	0.23	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	127.3	168.1	-170.9	-3.4	0	0	0	110.2	L269 G285 Y286 C491 F495	L269-N493 HydrophobicContact CD1-CB 4.08Å; L269-N493 HydrophobicContact CD2-CB 4.3Å; L269-N493 WeakPolarHBondContact CD2-ND2 3.34Å; G285-N493 WeakPolarHBondContact CA-O 3.35Å; Y286-N493 PolarHBondContact N-O 3.24Å; Y286-N493 PolarHBondContact O-N 3.29Å; C491-N493 PolarHBondContact O-N 2.96Å; N493-F495 PolarHBondContact ND2-O 2.9Å; N493-F495 PolarHBondContact OD1-N 3.45Å; N493-F495 PolarHBondContact OD1-O 3.27Å
494	Q	90.9	Very high	92.5	Very high	152 Å²	152	37.6 Å²	37.6	71%	0.71	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	-21.6	176	-67.1	-179.5	-11.4	0	0	112.8	C491	C491-Q494 HydrophobicContact CB-CG 4.04Å
495	F	90.9	Very high	92.1	Very high	120 Å²	120	40 Å²	40	53%	0.526	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	109	-174.9	-176.3	-82.3	0	0	0	110.9	L283 N493 L497	L283-F495 HydrophobicContact CD1-CD1 4.22Å; L283-F495 HydrophobicContact CD1-CD2 3.31Å; L283-F495 HydrophobicContact CD1-CE1 4.03Å; L283-F495 HydrophobicContact CD1-CE2 3.09Å; L283-F495 HydrophobicContact CD1-CG 3.88Å; L283-F495 HydrophobicContact CD1-CZ 3.47Å; L283-F495 VanDerWaalsContact CD1-CZ 3.47Å; L283-F495 HydrophobicContact CD2-CD2 4.03Å; L283-F495 HydrophobicContact CD2-CE2 3.54Å; L283-F495 HydrophobicContact CD2-CZ 4.41Å; L283-F495 HydrophobicContact CG-CD2 4.23Å; L283-F495 HydrophobicContact CG-CE2 3.94Å; N493-F495 PolarHBondContact ND2-O 2.9Å; N493-F495 PolarHBondContact OD1-N 3.45Å; N493-F495 PolarHBondContact OD1-O 3.27Å; F495-L497 HydrophobicContact CE1-CD2 3.9Å; F495-L497 HydrophobicContact CE1-CG 4.09Å; F495-L497 HydrophobicContact CZ-CD2 3.84Å
496	M	90.8	Very high	91.9	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	147.6	171.7	57.1	168.3	-79.9	0	0	111	S267 L269 T284 F498	S267-M496 WeakPolarHBondContact OG-CE 3.43Å; L269-M496 HydrophobicContact CD1-CB 4.33Å; L269-M496 HydrophobicContact CD1-SD 3.81Å; L269-M496 HydrophobicContact CG-CB 4.12Å; L269-M496 HydrophobicContact CG-SD 4.42Å; T284-M496 HydrophobicContact CG2-CE 3.81Å; T284-M496 HydrophobicContact CG2-CG 3.54Å; T284-M496 HydrophobicContact CG2-SD 3.98Å; T284-M496 PolarHBondContact N-O 3.49Å; T284-M496 VanDerWaalsContact O-CG 3.25Å; T284-M496 WeakPolarHBondContact O-CG 3.47Å; T284-M496 PolarHBondContact O-N 2.9Å; T284-M496 VanDerWaalsContact O-O 3.12Å; M496-F498 HydrophobicContact CE-CD1 3.6Å; M496-F498 HydrophobicContact CE-CD2 4.47Å; M496-F498 HydrophobicContact CE-CE1 3.11Å; M496-F498 HydrophobicContact CE-CE2 4.09Å; M496-F498 HydrophobicContact CE-CG 4.26Å; M496-F498 HydrophobicContact CE-CZ 3.38Å
497	L	91.8	Very high	91.6	Very high	44 Å²	44	37.4 Å²	37.4	23%	0.23	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137.8	-179	-57.7	175.2	0	0	0	109.4	S267 S268 P280 L283 F495	S267-L497 WeakPolarHBondContact CA-O 3.47Å; S268-L497 PolarHBondContact N-O 3.04Å; S268-L497 PolarHBondContact OG-N 3.34Å; P280-L497 HydrophobicContact CB-CB 4.08Å; P280-L497 HydrophobicContact CB-CD1 4.2Å; P280-L497 HydrophobicContact CB-CD2 3.93Å; P280-L497 HydrophobicContact CB-CG 4.29Å; P280-L497 HydrophobicContact CG-CD1 4.44Å; P280-L497 HydrophobicContact CG-CD2 4.4Å; L283-L497 HydrophobicContact CD1-CD2 3.87Å; F495-L497 HydrophobicContact CE1-CD2 3.9Å; F495-L497 HydrophobicContact CE1-CG 4.09Å; F495-L497 HydrophobicContact CZ-CD2 3.84Å
498	F	92.4	Very high	91.4	Very high	17 Å²	17	37.5 Å²	37.5	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.5	170.3	-88.5	-26.4	0	0	0	109.3	L265 A266 Y281 L282 T284 M496	L265-F498 HydrophobicContact CB-CB 3.93Å; L265-F498 HydrophobicContact CB-CD1 3.98Å; L265-F498 HydrophobicContact CB-CD2 4.43Å; L265-F498 HydrophobicContact CB-CG 3.89Å; L265-F498 HydrophobicContact CD1-CB 4.08Å; L265-F498 HydrophobicContact CD1-CD2 4.03Å; L265-F498 HydrophobicContact CD1-CG 4.17Å; L265-F498 HydrophobicContact CD2-CB 4.39Å; L265-F498 HydrophobicContact CG-CB 4.35Å; A266-F498 WeakPolarHBondContact O-CA 3.2Å; Y281-F498 PolarHBondContact N-O 3.36Å; L282-F498 HydrophobicContact CB-CB 4.03Å; L282-F498 PolarHBondContact N-O 3.31Å; L282-F498 PolarHBondContact O-N 2.9Å; T284-F498 HydrophobicContact CG2-CD2 3.66Å; T284-F498 HydrophobicContact CG2-CE2 3.62Å; T284-F498 HydrophobicContact CG2-CG 4.32Å; T284-F498 HydrophobicContact CG2-CZ 4.27Å; M496-F498 HydrophobicContact CE-CD1 3.6Å; M496-F498 HydrophobicContact CE-CD2 4.47Å; M496-F498 HydrophobicContact CE-CE1 3.11Å; M496-F498 HydrophobicContact CE-CE2 4.09Å; M496-F498 HydrophobicContact CE-CG 4.26Å; M496-F498 HydrophobicContact CE-CZ 3.38Å
499	S	92.3	Very high	91.4	Very high	6 Å²	6	34 Å²	34	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.7	176.6	-18.3	0	0	0	0	112.2	A266 V277 Y279 P280	A266-S499 PolarHBondContact N-O 3.23Å; A266-S499 PolarHBondContact O-N 2.75Å; V277-S499 WeakPolarHBondContact CG1-OG 3.37Å; Y279-S499 VanDerWaalsContact O-CB 3.31Å; Y279-S499 WeakPolarHBondContact O-CB 3.23Å; P280-S499 WeakPolarHBondContact CA-OG 3.41Å
500	P	93.2	Very high	91.4	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.013	14%	0.135	C	C	.	.			trans	-63.5	133.3	171.8	-21.9	33.9	0	0	0	111.9	L217 M220 A264 L265 L502 F512 M516	L217-P500 HydrophobicContact CD1-CG 4.18Å; M220-P500 HydrophobicContact CE-CG 4.12Å; A264-P500 WeakPolarHBondContact O-CA 3.28Å; L265-P500 HydrophobicContact CD2-CG 4.24Å; P500-L502 PolarHBondContact O-N 3.48Å; P500-F512 HydrophobicContact CB-CE1 4.23Å; P500-F512 HydrophobicContact CB-CZ 4.38Å; P500-F512 HydrophobicContact CG-CE1 4.22Å; P500-F512 HydrophobicContact CG-CZ 4.27Å; P500-M516 HydrophobicContact CG-SD 3.99Å
501	P	92.8	Very high	91.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.139	C	C	.	.			trans	-59.5	128.5	166.2	-26.7	37.4	0	0	0	111.3	I250 M251 V254 G262 A264 A266	I250-P501 HydrophobicContact CG2-CB 4.4Å; I250-P501 HydrophobicContact CG2-CG 4.28Å; M251-P501 HydrophobicContact CG-CB 4.37Å; M251-P501 HydrophobicContact CG-CG 4.03Å; M251-P501 HydrophobicContact SD-CB 3.48Å; M251-P501 WeakPolarHBondContact SD-CB 3.17Å; M251-P501 HydrophobicContact SD-CG 3.53Å; M251-P501 VanDerWaalsContact SD-CG 3.53Å; V254-P501 HydrophobicContact CB-CB 4.36Å; V254-P501 HydrophobicContact CG1-CB 4.34Å; V254-P501 HydrophobicContact CG2-CB 3.89Å; G262-P501 PolarHBondContact N-O 3.35Å; A264-P501 VanDerWaalsContact O-CD 3.22Å; A264-P501 WeakPolarHBondContact O-CD 3.47Å; A266-P501 HydrophobicContact CB-CG 4.27Å
502	L	92.2	Very high	91.3	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-126.2	139.1	178.9	-63.8	175.2	0	0	0	110.7	V254 I261 S276 P500 R504 L506 R509 F512	V254-L502 WeakPolarHBondContact CG1-O 3.42Å; I261-L502 HydrophobicContact CB-CD2 4.18Å; I261-L502 HydrophobicContact CD1-CD2 4.43Å; I261-L502 HydrophobicContact CG1-CD2 3.83Å; I261-L502 HydrophobicContact CG2-CD2 3.81Å; S276-L502 WeakPolarHBondContact CA-O 3.15Å; S276-L502 WeakPolarHBondContact CB-O 3.27Å; S276-L502 PolarHBondContact O-N 2.95Å; P500-L502 PolarHBondContact O-N 3.48Å; L502-R504 PolarHBondContact O-N 3.2Å; L502-L506 HydrophobicContact CD2-CD2 4.12Å; L502-R509 HydrophobicContact CD1-CG 4.39Å; L502-F512 HydrophobicContact CD1-CD1 3.89Å; L502-F512 HydrophobicContact CD1-CE1 4.23Å; L502-F512 HydrophobicContact CD2-CD1 3.72Å; L502-F512 HydrophobicContact CD2-CE1 3.68Å; L502-F512 HydrophobicContact CD2-CZ 4.48Å; L502-F512 HydrophobicContact CG-CD1 4.4Å; L502-F512 HydrophobicContact CG-CE1 4.39Å
503	R	90.8	Very high	91.2	Very high	20 Å²	20	31 Å²	31	8%	0.075	14%	0.142	C	C	.	.			trans	-54.2	137.2	171.7	-163.9	-176.6	83	152.1	-7.6	109.6	E137 D257 D260 Y505 L506 R509	E137-R503 IonicContact OE1-CZ 3.38Å; E137-R503 IonicContact OE1-NH1 3.5Å; E137-R503 PolarHBondContact OE1-NH1 2.93Å; E137-R503 IonicContact OE1-NH2 2.69Å; E137-R503 PolarHBondContact OE1-NH2 3.33Å; E137-R503 IonicContact OE2-NH2 3.28Å; D257-R503 HydrophobicContact CB-CG 4.29Å; D257-R503 WeakPolarHBondContact OD1-CD 3.44Å; D257-R503 WeakPolarHBondContact OD1-CG 3.48Å; D257-R503 IonicContact OD1-NE 3.52Å; D260-R503 WeakPolarHBondContact O-CB 3.38Å; D260-R503 PolarHBondContact O-N 3.49Å; R503-Y505 VanDerWaalsContact C-N 3.31Å; R503-Y505 PolarHBondContact NH2-O 3.41Å; R503-Y505 PolarHBondContact O-N 2.87Å; R503-L506 HydrophobicContact CB-CB 4.4Å; R503-L506 WeakPolarHBondContact O-CB 3.32Å; R503-L506 PolarHBondContact O-N 2.99Å; R503-R509 PolarHBondContact O-NH2 3.42Å
504	R	86	Confident	91.2	Very high	58 Å²	58	31.2 Å²	31.2	22%	0.219	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-48.1	-173.8	-174.3	178.1	-173.2	127.9	18.9	112	S105 L109 D275 L502 R509	S105-R504 PolarHBondContact OG-NH2 3.04Å; L109-R504 VanDerWaalsContact CD1-O 3.26Å; L109-R504 WeakPolarHBondContact CD1-O 3.32Å; D275-R504 IonicContact OD2-CZ 3.03Å; D275-R504 VanDerWaalsContact OD2-CZ 3.28Å; D275-R504 IonicContact OD2-NH1 3.12Å; D275-R504 PolarHBondContact OD2-NH1 2.96Å; D275-R504 IonicContact OD2-NH2 2.69Å; D275-R504 PolarHBondContact OD2-NH2 2.89Å; L502-R504 PolarHBondContact O-N 3.2Å; R504-R509 PolarHBondContact O-NH1 3.18Å
505	Y	86.9	Confident	91.4	Very high	53 Å²	53	24.2 Å²	24.2	21%	0.208	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	50.6	-178.1	-54.6	-66.3	0	0	0	112.3	S105 L108 L109 Q112 R503 P507	S105-Y505 WeakPolarHBondContact CA-OH 3.45Å; S105-Y505 WeakPolarHBondContact CB-OH 3.43Å; L108-Y505 HydrophobicContact CB-CE1 4.22Å; L108-Y505 HydrophobicContact CD2-CD1 4.44Å; L108-Y505 HydrophobicContact CD2-CE1 3.8Å; L108-Y505 HydrophobicContact CD2-CE2 4.46Å; L108-Y505 HydrophobicContact CG-CE1 4.01Å; L109-Y505 HydrophobicContact CB-CD1 4.5Å; L109-Y505 HydrophobicContact CB-CE1 4.32Å; L109-Y505 HydrophobicContact CD1-CD1 4.25Å; Q112-Y505 PolarHBondContact NE2-O 3.01Å; R503-Y505 VanDerWaalsContact C-N 3.31Å; R503-Y505 PolarHBondContact NH2-O 3.41Å; R503-Y505 PolarHBondContact O-N 2.87Å; Y505-P507 VanDerWaalsContact O-CD 3.29Å; Y505-P507 WeakPolarHBondContact O-CD 3.41Å
506	L	90.3	Very high	91.6	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.086	C	C	.	.			trans	-75.3	115.1	176.3	-173.3	71.2	0	0	0	111	D260 I261 L502 R503 H508 R509	D260-L506 HydrophobicContact CB-CD1 3.97Å; I261-L506 HydrophobicContact CD1-CD2 4.08Å; I261-L506 HydrophobicContact CG1-CD2 3.85Å; L502-L506 HydrophobicContact CD2-CD2 4.12Å; R503-L506 HydrophobicContact CB-CB 4.4Å; R503-L506 WeakPolarHBondContact O-CB 3.32Å; R503-L506 PolarHBondContact O-N 2.99Å; L506-H508 WeakPolarHBondContact CD1-CE1 3.28Å; L506-H508 PolarHBondContact O-N 3.34Å; L506-H508 VanDerWaalsContact O-N 3.12Å; L506-R509 HydrophobicContact CB-CB 4.28Å; L506-R509 HydrophobicContact CD2-CB 4.49Å; L506-R509 WeakPolarHBondContact O-CB 3.33Å; L506-R509 PolarHBondContact O-N 2.89Å; L506-R509 VanDerWaalsContact O-N 3.15Å
507	P	89.7	Confident	91.7	Very high	12 Å²	12	21.8 Å²	21.8	8%	0.078	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.9	-172.8	-27.7	36	0	0	0	116.1	E137 H139 F181 Y505	E137-P507 HydrophobicContact CB-CG 4.21Å; E137-P507 WeakPolarHBondContact OE2-CG 3.23Å; H139-P507 WeakPolarHBondContact NE2-CG 3.33Å; F181-P507 HydrophobicContact CD2-CB 4.22Å; F181-P507 HydrophobicContact CE1-CB 4.06Å; F181-P507 HydrophobicContact CE1-CG 4.48Å; F181-P507 HydrophobicContact CE2-CB 3.4Å; F181-P507 HydrophobicContact CE2-CG 4.4Å; F181-P507 HydrophobicContact CZ-CB 3.31Å; F181-P507 HydrophobicContact CZ-CG 3.87Å; Y505-P507 VanDerWaalsContact O-CD 3.29Å; Y505-P507 WeakPolarHBondContact O-CD 3.41Å
508	H	91.6	Very high	91.9	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.042	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	18.6	-175.3	51.2	-67.9	0	0	0	112.1	F181 Y224 L506 H510 L511 F512	F181-H508 HydrophobicContact CB-CB 3.73Å; F181-H508 HydrophobicContact CD1-CB 3.97Å; F181-H508 AromaticContact CD1-ND1 3.83Å; F181-H508 HydrophobicContact CD2-CB 4.3Å; F181-H508 AromaticContact CE1-ND1 3.97Å; F181-H508 HydrophobicContact CG-CB 3.73Å; Y224-H508 AromaticContact CE1-CD2 3.89Å; Y224-H508 AromaticContact CZ-CD2 3.94Å; Y224-H508 PolarHBondContact OH-CD2 2.92Å; Y224-H508 PolarHBondContact OH-O 2.86Å; L506-H508 WeakPolarHBondContact CD1-CE1 3.28Å; L506-H508 PolarHBondContact O-N 3.34Å; L506-H508 VanDerWaalsContact O-N 3.12Å; H508-H510 VanDerWaalsContact C-N 3.3Å; H508-H510 PolarHBondContact O-N 3.37Å; H508-L511 HydrophobicContact CB-CD1 4.23Å; H508-L511 WeakPolarHBondContact O-CB 3.28Å; H508-L511 PolarHBondContact O-N 3.49Å; H508-F512 PolarHBondContact O-N 3.29Å; H508-F512 VanDerWaalsContact O-N 3.11Å
509	R	90.2	Very high	91.9	Very high	16 Å²	16	25.1 Å²	25.1	6%	0.06	11%	0.111	C	C	.	.	H	α-helix	trans	-51.2	-45.7	179.5	173.4	177.6	-91.7	165.4	-10.2	112.6	D275 L502 R503 R504 L506 L511 F512 E513	D275-R509 PolarHBondContact O-NH2 3.02Å; L502-R509 HydrophobicContact CD1-CG 4.39Å; R503-R509 PolarHBondContact O-NH2 3.42Å; R504-R509 PolarHBondContact O-NH1 3.18Å; L506-R509 HydrophobicContact CB-CB 4.28Å; L506-R509 HydrophobicContact CD2-CB 4.49Å; L506-R509 WeakPolarHBondContact O-CB 3.33Å; L506-R509 PolarHBondContact O-N 2.89Å; L506-R509 VanDerWaalsContact O-N 3.15Å; R509-L511 VanDerWaalsContact C-N 3.31Å; R509-L511 PolarHBondContact O-N 3.49Å; R509-F512 WeakPolarHBondContact O-CA 3.33Å; R509-F512 VanDerWaalsContact O-CB 3.32Å; R509-F512 WeakPolarHBondContact O-CB 3.32Å; R509-F512 PolarHBondContact O-N 3.48Å; R509-F512 VanDerWaalsContact O-N 3.07Å; R509-E513 HydrophobicContact CG-CG 4.33Å; R509-E513 WeakPolarHBondContact CG-OE1 3.42Å; R509-E513 WeakPolarHBondContact O-CG 3.38Å; R509-E513 PolarHBondContact O-N 3.4Å
510	H	89	Confident	92	Very high	31 Å²	31	28.4 Å²	28.4	14%	0.144	13%	0.126	C	C	.	.	H	α-helix	trans	-64	-35.3	-179.8	62.5	-68.7	0	0	0	112.8	R113 E179 H508 F512 D514	R113-H510 VanDerWaalsContact CZ-CD2 3.41Å; R113-H510 PolarHBondContact NE-ND1 2.99Å; R113-H510 PolarHBondContact NH2-CD2 3Å; E179-H510 IonicContact OE2-CD2 3.65Å; E179-H510 IonicContact OE2-CE1 2.69Å; E179-H510 PolarHBondContact OE2-CE1 3.38Å; E179-H510 IonicContact OE2-NE2 3.57Å; E179-H510 PolarHBondContact OE2-NE2 3.44Å; H508-H510 VanDerWaalsContact C-N 3.3Å; H508-H510 PolarHBondContact O-N 3.37Å; H510-F512 VanDerWaalsContact C-N 3.28Å; H510-D514 VanDerWaalsContact O-CB 3.28Å; H510-D514 WeakPolarHBondContact O-CB 3.13Å; H510-D514 PolarHBondContact O-N 2.94Å
511	L	93.4	Very high	92.1	Very high	21 Å²	21	35.1 Å²	35.1	11%	0.11	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-34.7	175	-60	-179.2	0	0	0	110.9	E179 F181 Y224 L228 H508 R509 H515	E179-L511 HydrophobicContact CG-CD1 3.98Å; E179-L511 HydrophobicContact CG-CD2 4.19Å; F181-L511 HydrophobicContact CB-CD1 3.74Å; Y224-L511 HydrophobicContact CE2-CB 4.23Å; Y224-L511 WeakPolarHBondContact CE2-O 3.46Å; L228-L511 HydrophobicContact CD2-CD1 4.07Å; H508-L511 HydrophobicContact CB-CD1 4.23Å; H508-L511 WeakPolarHBondContact O-CB 3.28Å; H508-L511 PolarHBondContact O-N 3.49Å; R509-L511 VanDerWaalsContact C-N 3.31Å; R509-L511 PolarHBondContact O-N 3.49Å; L511-H515 VanDerWaalsContact O-CB 3.24Å; L511-H515 WeakPolarHBondContact O-CB 3.47Å; L511-H515 PolarHBondContact O-N 3.27Å
512	F	93.9	Very high	92.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-47.4	176.8	-174.4	-111.7	0	0	0	111.5	M220 I221 Y224 I261 P500 L502 H508 R509 H510 H515 M516	M220-F512 HydrophobicContact CE-CE2 4Å; M220-F512 HydrophobicContact CE-CZ 3.54Å; M220-F512 HydrophobicContact SD-CE2 3.65Å; M220-F512 HydrophobicContact SD-CZ 3.84Å; I221-F512 HydrophobicContact CD1-CE2 3.47Å; I221-F512 VanDerWaalsContact CD1-CE2 3.47Å; I221-F512 HydrophobicContact CD1-CZ 3.53Å; Y224-F512 AromaticContact CD1-CD2 3.59Å; Y224-F512 HydrophobicContact CD1-CD2 3.59Å; Y224-F512 HydrophobicContact CD1-CE2 4.12Å; Y224-F512 HydrophobicContact CD2-CD2 4.04Å; Y224-F512 HydrophobicContact CE1-CB 4.14Å; Y224-F512 AromaticContact CE1-CD2 3.59Å; Y224-F512 HydrophobicContact CE1-CD2 3.59Å; Y224-F512 HydrophobicContact CE1-CE2 4.48Å; Y224-F512 HydrophobicContact CE1-CG 4.3Å; Y224-F512 VanDerWaalsContact CE2-CA 3.44Å; Y224-F512 HydrophobicContact CE2-CB 4.04Å; Y224-F512 HydrophobicContact CE2-CD2 4.05Å; Y224-F512 AromaticContact CG-CD2 3.8Å; Y224-F512 HydrophobicContact CG-CD2 3.8Å; Y224-F512 HydrophobicContact CG-CE2 4.28Å; Y224-F512 AromaticContact CZ-CD2 3.79Å; Y224-F512 WeakPolarHBondContact OH-CA 3.4Å; Y224-F512 WeakPolarHBondContact OH-CB 3.47Å; Y224-F512 PolarHBondContact OH-N 3.38Å; Y224-F512 VanDerWaalsContact OH-N 3.14Å; I261-F512 HydrophobicContact CD1-CD2 4.04Å; I261-F512 HydrophobicContact CD1-CE2 4.22Å; I261-F512 HydrophobicContact CD1-CG 4.37Å; I261-F512 HydrophobicContact CG2-CE2 4.37Å; I261-F512 HydrophobicContact CG2-CZ 4.05Å; P500-F512 HydrophobicContact CB-CE1 4.23Å; P500-F512 HydrophobicContact CB-CZ 4.38Å; P500-F512 HydrophobicContact CG-CE1 4.22Å; P500-F512 HydrophobicContact CG-CZ 4.27Å; L502-F512 HydrophobicContact CD1-CD1 3.89Å; L502-F512 HydrophobicContact CD1-CE1 4.23Å; L502-F512 HydrophobicContact CD2-CD1 3.72Å; L502-F512 HydrophobicContact CD2-CE1 3.68Å; L502-F512 HydrophobicContact CD2-CZ 4.48Å; L502-F512 HydrophobicContact CG-CD1 4.4Å; L502-F512 HydrophobicContact CG-CE1 4.39Å; H508-F512 PolarHBondContact O-N 3.29Å; H508-F512 VanDerWaalsContact O-N 3.11Å; R509-F512 WeakPolarHBondContact O-CA 3.33Å; R509-F512 VanDerWaalsContact O-CB 3.32Å; R509-F512 WeakPolarHBondContact O-CB 3.32Å; R509-F512 PolarHBondContact O-N 3.48Å; R509-F512 VanDerWaalsContact O-N 3.07Å; H510-F512 VanDerWaalsContact C-N 3.28Å; F512-H515 WeakPolarHBondContact O-CB 3.26Å; F512-H515 PolarHBondContact O-N 2.97Å; F512-M516 HydrophobicContact CD1-CE 3.71Å; F512-M516 HydrophobicContact CD1-SD 4.17Å; F512-M516 HydrophobicContact CE1-CE 3.61Å; F512-M516 HydrophobicContact CE1-CG 4.16Å; F512-M516 HydrophobicContact CE1-SD 3.53Å; F512-M516 VanDerWaalsContact CE1-SD 3.53Å; F512-M516 HydrophobicContact CZ-CG 4.19Å; F512-M516 HydrophobicContact CZ-SD 3.91Å; F512-M516 WeakPolarHBondContact O-CG 3.23Å; F512-M516 PolarHBondContact O-N 2.8Å
513	E	92.4	Very high	92.3	Very high	36 Å²	36	43.7 Å²	43.7	17%	0.168	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-46.4	177.2	-67.7	173.1	172.4	0	0	111.7	Y279 R509 H515 M516 M517	Y279-E513 HydrophobicContact CG-CG 4.49Å; R509-E513 HydrophobicContact CG-CG 4.33Å; R509-E513 WeakPolarHBondContact CG-OE1 3.42Å; R509-E513 WeakPolarHBondContact O-CG 3.38Å; R509-E513 PolarHBondContact O-N 3.4Å; E513-H515 VanDerWaalsContact C-N 3.3Å; E513-H515 PolarHBondContact O-N 3.46Å; E513-M516 HydrophobicContact CB-CE 4.49Å; E513-M516 HydrophobicContact CG-CE 4.12Å; E513-M516 PolarHBondContact O-N 3.25Å; E513-M517 WeakPolarHBondContact O-CG 3.38Å; E513-M517 PolarHBondContact O-N 3.48Å
514	D	93.6	Very high	92.5	Very high	49 Å²	49	45.6 Å²	45.6	26%	0.262	21%	0.214	S	C	.	.	H	α-helix	trans	-57.7	-42.4	172.3	169.3	81.5	0	0	0	111.5	K227 H510 M517 R518	K227-D514 IonicContact NZ-OD2 2.64Å; K227-D514 PolarHBondContact NZ-OD2 3.34Å; H510-D514 VanDerWaalsContact O-CB 3.28Å; H510-D514 WeakPolarHBondContact O-CB 3.13Å; H510-D514 PolarHBondContact O-N 2.94Å; D514-M517 PolarHBondContact O-N 3.27Å; D514-R518 VanDerWaalsContact CG-NE 3.25Å; D514-R518 WeakPolarHBondContact O-CB 3.37Å; D514-R518 VanDerWaalsContact O-CG 3.3Å; D514-R518 WeakPolarHBondContact O-CG 3.49Å; D514-R518 PolarHBondContact O-N 3.47Å; D514-R518 IonicContact OD1-CZ 3.23Å; D514-R518 VanDerWaalsContact OD1-CZ 3.28Å; D514-R518 IonicContact OD1-NE 2.99Å; D514-R518 PolarHBondContact OD1-NE 2.92Å; D514-R518 IonicContact OD1-NH2 3.41Å; D514-R518 PolarHBondContact OD1-NH2 3.38Å; D514-R518 IonicContact OD2-CZ 2.75Å; D514-R518 VanDerWaalsContact OD2-CZ 3.26Å; D514-R518 IonicContact OD2-NE 2.76Å; D514-R518 PolarHBondContact OD2-NE 2.89Å; D514-R518 IonicContact OD2-NH2 3.81Å; D514-R518 PolarHBondContact OD2-NH2 2.92Å
515	H	95.1	Very high	92.8	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.023	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-48.6	177.1	-177	77.2	0	0	0	111.6	M220 T223 Y224 L511 F512 E513 M517 R518 Q519	M220-H515 PolarHBondContact O-NE2 3.42Å; T223-H515 PolarHBondContact OG1-NE2 3.35Å; T223-H515 VanDerWaalsContact OG1-NE2 3.11Å; Y224-H515 HydrophobicContact CD2-CB 3.66Å; Y224-H515 AromaticContact CD2-CD2 3.85Å; Y224-H515 AromaticContact CD2-CG 3.69Å; Y224-H515 HydrophobicContact CE2-CB 4.09Å; Y224-H515 PolarHBondContact N-NE2 2.84Å; L511-H515 VanDerWaalsContact O-CB 3.24Å; L511-H515 WeakPolarHBondContact O-CB 3.47Å; L511-H515 PolarHBondContact O-N 3.27Å; F512-H515 WeakPolarHBondContact O-CB 3.26Å; F512-H515 PolarHBondContact O-N 2.97Å; E513-H515 VanDerWaalsContact C-N 3.3Å; E513-H515 PolarHBondContact O-N 3.46Å; H515-M517 PolarHBondContact O-N 2.9Å; H515-R518 PolarHBondContact O-N 2.94Å; H515-Q519 PolarHBondContact CE1-NE2 3.44Å; H515-Q519 PolarHBondContact ND1-NE2 2.95Å; H515-Q519 VanDerWaalsContact O-CG 3.25Å; H515-Q519 WeakPolarHBondContact O-CG 3.45Å; H515-Q519 PolarHBondContact O-N 3.28Å
516	M	94.6	Very high	93.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-56.1	-49.6	176.8	-73.3	-168.5	-65	0	0	111.3	M220 Y279 Y281 P500 F512 E513 R518 Q519 H520	M220-M516 HydrophobicContact CE-CG 3.85Å; M220-M516 HydrophobicContact CE-SD 3.93Å; M220-M516 HydrophobicContact CG-CG 4.45Å; M220-M516 HydrophobicContact SD-CG 3.77Å; Y279-M516 HydrophobicContact CD1-CE 4.32Å; Y281-M516 HydrophobicContact CD2-CB 4.26Å; Y281-M516 HydrophobicContact CD2-CG 4.15Å; Y281-M516 HydrophobicContact CD2-SD 4Å; Y281-M516 HydrophobicContact CG-SD 4.26Å; P500-M516 HydrophobicContact CG-SD 3.99Å; F512-M516 HydrophobicContact CD1-CE 3.71Å; F512-M516 HydrophobicContact CD1-SD 4.17Å; F512-M516 HydrophobicContact CE1-CE 3.61Å; F512-M516 HydrophobicContact CE1-CG 4.16Å; F512-M516 HydrophobicContact CE1-SD 3.53Å; F512-M516 VanDerWaalsContact CE1-SD 3.53Å; F512-M516 HydrophobicContact CZ-CG 4.19Å; F512-M516 HydrophobicContact CZ-SD 3.91Å; F512-M516 WeakPolarHBondContact O-CG 3.23Å; F512-M516 PolarHBondContact O-N 2.8Å; E513-M516 HydrophobicContact CB-CE 4.49Å; E513-M516 HydrophobicContact CG-CE 4.12Å; E513-M516 PolarHBondContact O-N 3.25Å; M516-R518 PolarHBondContact O-N 2.99Å; M516-Q519 PolarHBondContact O-N 3.21Å; M516-H520 PolarHBondContact O-CD2 3.49Å; M516-H520 PolarHBondContact O-N 2.98Å; M516-H520 VanDerWaalsContact O-N 3.17Å
517	M	93.8	Very high	93.2	Very high	71 Å²	71	50.4 Å²	50.4	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-57	-49.3	177.8	-75.2	178.3	47.7	0	0	111.9	Y279 E513 D514 H515 Q519 H520 E521	Y279-M517 HydrophobicContact CE1-CG 3.65Å; Y279-M517 HydrophobicContact CE1-SD 4.3Å; Y279-M517 HydrophobicContact CE2-SD 4.12Å; Y279-M517 WeakPolarHBondContact OH-CG 3.42Å; Y279-M517 PolarHBondContact OH-SD 3.42Å; E513-M517 WeakPolarHBondContact O-CG 3.38Å; E513-M517 PolarHBondContact O-N 3.48Å; D514-M517 PolarHBondContact O-N 3.27Å; H515-M517 PolarHBondContact O-N 2.9Å; M517-Q519 VanDerWaalsContact C-N 3.33Å; M517-Q519 PolarHBondContact O-N 3.41Å; M517-H520 WeakPolarHBondContact O-CA 3.27Å; M517-H520 WeakPolarHBondContact O-CB 3.32Å; M517-H520 PolarHBondContact O-N 2.94Å; M517-H520 VanDerWaalsContact O-N 3.07Å; M517-E521 PolarHBondContact O-N 2.97Å
518	R	95	Very high	93.3	Very high	113 Å²	113	50.9 Å²	50.9	43%	0.426	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-39.6	178.4	-70.7	-178	-163	-157.9	6.8	112.3	D514 H515 M516 H520 E521 F522	D514-R518 VanDerWaalsContact CG-NE 3.25Å; D514-R518 WeakPolarHBondContact O-CB 3.37Å; D514-R518 VanDerWaalsContact O-CG 3.3Å; D514-R518 WeakPolarHBondContact O-CG 3.49Å; D514-R518 PolarHBondContact O-N 3.47Å; D514-R518 IonicContact OD1-CZ 3.23Å; D514-R518 VanDerWaalsContact OD1-CZ 3.28Å; D514-R518 IonicContact OD1-NE 2.99Å; D514-R518 PolarHBondContact OD1-NE 2.92Å; D514-R518 IonicContact OD1-NH2 3.41Å; D514-R518 PolarHBondContact OD1-NH2 3.38Å; D514-R518 IonicContact OD2-CZ 2.75Å; D514-R518 VanDerWaalsContact OD2-CZ 3.26Å; D514-R518 IonicContact OD2-NE 2.76Å; D514-R518 PolarHBondContact OD2-NE 2.89Å; D514-R518 IonicContact OD2-NH2 3.81Å; D514-R518 PolarHBondContact OD2-NH2 2.92Å; H515-R518 PolarHBondContact O-N 2.94Å; M516-R518 PolarHBondContact O-N 2.99Å; R518-H520 PolarHBondContact O-N 3.49Å; R518-E521 PolarHBondContact O-N 2.95Å; R518-E521 VanDerWaalsContact O-N 3.15Å; R518-F522 HydrophobicContact CB-CD2 4.36Å; R518-F522 HydrophobicContact CB-CE2 4.27Å; R518-F522 WeakPolarHBondContact O-CD2 3.32Å; R518-F522 PolarHBondContact O-N 3.36Å
519	Q	94.1	Very high	93.3	Very high	17 Å²	17	52.7 Å²	52.7	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-35	176.4	-64.2	-37.6	-73.8	0	0	111.7	M220 H515 M516 M517 G523 L524 V525 W528	M220-Q519 HydrophobicContact CG-CG 4.33Å; H515-Q519 PolarHBondContact CE1-NE2 3.44Å; H515-Q519 PolarHBondContact ND1-NE2 2.95Å; H515-Q519 VanDerWaalsContact O-CG 3.25Å; H515-Q519 WeakPolarHBondContact O-CG 3.45Å; H515-Q519 PolarHBondContact O-N 3.28Å; M516-Q519 PolarHBondContact O-N 3.21Å; M517-Q519 VanDerWaalsContact C-N 3.33Å; M517-Q519 PolarHBondContact O-N 3.41Å; Q519-G523 PolarHBondContact O-N 3.28Å; Q519-L524 PolarHBondContact O-N 3.44Å; Q519-V525 HydrophobicContact CB-CG2 4Å; Q519-W528 HydrophobicContact CB-CZ3 4.49Å; Q519-W528 HydrophobicContact CG-CH2 4.22Å; Q519-W528 HydrophobicContact CG-CZ3 4.29Å
520	H	93.4	Very high	93.2	Very high	76 Å²	76	54.5 Å²	54.5	35%	0.352	27%	0.27	S	S	.	.	H	α-helix	trans	-69.4	-46.1	172.6	-84.6	-82.1	0	0	0	112.5	Y281 M516 M517 R518 F522 G523	Y281-H520 AromaticContact CD2-CD2 3.99Å; Y281-H520 AromaticContact CD2-NE2 3.4Å; Y281-H520 WeakPolarHBondContact CD2-NE2 3.49Å; Y281-H520 AromaticContact CE2-CD2 3.93Å; Y281-H520 AromaticContact CE2-NE2 3.38Å; Y281-H520 WeakPolarHBondContact CE2-NE2 3.25Å; Y281-H520 PolarHBondContact O-CE1 2.97Å; Y281-H520 VanDerWaalsContact O-CE1 3.3Å; Y281-H520 PolarHBondContact O-NE2 3.07Å; M516-H520 PolarHBondContact O-CD2 3.49Å; M516-H520 PolarHBondContact O-N 2.98Å; M516-H520 VanDerWaalsContact O-N 3.17Å; M517-H520 WeakPolarHBondContact O-CA 3.27Å; M517-H520 WeakPolarHBondContact O-CB 3.32Å; M517-H520 PolarHBondContact O-N 2.94Å; M517-H520 VanDerWaalsContact O-N 3.07Å; R518-H520 PolarHBondContact O-N 3.49Å; H520-F522 VanDerWaalsContact C-N 3.28Å; H520-F522 PolarHBondContact O-N 2.9Å; H520-G523 PolarHBondContact O-N 3.3Å
521	E	94.7	Very high	93.2	Very high	143 Å²	143	55.6 Å²	55.6	67%	0.668	28%	0.275	S	S	*	.	H	α-helix	trans	-58.2	-39.2	178.7	-70.4	175.7	171.1	0	0	112.4	M517 R518 G523	M517-E521 PolarHBondContact O-N 2.97Å; R518-E521 PolarHBondContact O-N 2.95Å; R518-E521 VanDerWaalsContact O-N 3.15Å; E521-G523 VanDerWaalsContact C-N 3.27Å; E521-G523 PolarHBondContact O-N 2.82Å
522	F	95.1	Very high	93	Very high	154 Å²	154	54.7 Å²	54.7	68%	0.675	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-4.2	176.3	-70	-66.2	0	0	0	114	R518 H520 L524	R518-F522 HydrophobicContact CB-CD2 4.36Å; R518-F522 HydrophobicContact CB-CE2 4.27Å; R518-F522 WeakPolarHBondContact O-CD2 3.32Å; R518-F522 PolarHBondContact O-N 3.36Å; H520-F522 VanDerWaalsContact C-N 3.28Å; H520-F522 PolarHBondContact O-N 2.9Å; F522-L524 HydrophobicContact CB-CD1 4.18Å; F522-L524 HydrophobicContact CB-CG 4.11Å; F522-L524 PolarHBondContact O-N 3.21Å
523	G	94.6	Very high	92.8	Very high	29 Å²	29	55.3 Å²	55.3	30%	0.299	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	12.6	-178.8	0	0	0	0	0	114.9	Q519 H520 E521 V525 T526 F527	Q519-G523 PolarHBondContact O-N 3.28Å; H520-G523 PolarHBondContact O-N 3.3Å; E521-G523 VanDerWaalsContact C-N 3.27Å; E521-G523 PolarHBondContact O-N 2.82Å; G523-V525 VanDerWaalsContact C-N 3.3Å; G523-V525 PolarHBondContact O-N 3.04Å; G523-T526 PolarHBondContact O-N 2.88Å; G523-F527 PolarHBondContact O-N 3.45Å; G523-F527 VanDerWaalsContact O-N 3.17Å
524	L	95	Very high	92.7	Very high	60 Å²	60	57 Å²	57	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-65.5	-34.1	-177.3	-71.6	171	0	0	0	112.1	Q519 F522 T526 F527 W528	Q519-L524 PolarHBondContact O-N 3.44Å; F522-L524 HydrophobicContact CB-CD1 4.18Å; F522-L524 HydrophobicContact CB-CG 4.11Å; F522-L524 PolarHBondContact O-N 3.21Å; L524-T526 PolarHBondContact O-N 3.32Å; L524-F527 PolarHBondContact O-N 3.47Å; L524-W528 HydrophobicContact CB-CD2 4.5Å; L524-W528 HydrophobicContact CB-CE3 4.5Å; L524-W528 HydrophobicContact CB-CH2 4.08Å; L524-W528 HydrophobicContact CB-CZ2 4.08Å; L524-W528 HydrophobicContact CB-CZ3 4.29Å; L524-W528 VanDerWaalsContact O-CG 3.3Å; L524-W528 PolarHBondContact O-N 3.37Å
525	V	92.8	Very high	92.6	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-42.4	176.9	-177.4	0	0	0	0	111.5	Y281 L282 Q519 G523 W528 K529	Y281-V525 HydrophobicContact CE2-CG1 4.41Å; Y281-V525 HydrophobicContact CE2-CG2 3.79Å; Y281-V525 WeakPolarHBondContact OH-CG2 3.23Å; L282-V525 HydrophobicContact CD2-CG1 3.78Å; Q519-V525 HydrophobicContact CB-CG2 4Å; G523-V525 VanDerWaalsContact C-N 3.3Å; G523-V525 PolarHBondContact O-N 3.04Å; V525-W528 PolarHBondContact O-N 3.46Å; V525-K529 HydrophobicContact CG1-CD 4.46Å; V525-K529 WeakPolarHBondContact O-CB 3.2Å; V525-K529 VanDerWaalsContact O-CG 3.32Å; V525-K529 WeakPolarHBondContact O-CG 3.5Å; V525-K529 PolarHBondContact O-N 2.94Å
526	T	92	Very high	92.4	Very high	103 Å²	103	55.3 Å²	55.3	63%	0.632	27%	0.273	S	S	*	.	H	α-helix	trans	-64.4	-43	176	-55.1	0	0	0	0	111.1	G523 L524 K529 S530	G523-T526 PolarHBondContact O-N 2.88Å; L524-T526 PolarHBondContact O-N 3.32Å; T526-K529 PolarHBondContact O-N 2.95Å; T526-S530 PolarHBondContact O-N 2.91Å; T526-S530 VanDerWaalsContact O-N 3.09Å
527	F	92.8	Very high	92.3	Very high	110 Å²	110	57.2 Å²	57.2	48%	0.482	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-46.2	175.9	171	-100.3	0	0	0	112.4	G523 L524 K529 S530 Q531	G523-F527 PolarHBondContact O-N 3.45Å; G523-F527 VanDerWaalsContact O-N 3.17Å; L524-F527 PolarHBondContact O-N 3.47Å; F527-K529 VanDerWaalsContact C-N 3.33Å; F527-K529 PolarHBondContact O-N 3.3Å; F527-S530 PolarHBondContact O-N 3.12Å; F527-S530 PolarHBondContact O-OG 2.87Å; F527-Q531 HydrophobicContact CD2-CG 4.45Å; F527-Q531 HydrophobicContact CE1-CG 4.22Å; F527-Q531 HydrophobicContact CE2-CG 3.95Å; F527-Q531 HydrophobicContact CZ-CG 3.82Å; F527-Q531 PolarHBondContact O-N 2.95Å; F527-Q531 VanDerWaalsContact O-N 3.07Å
528	W	93.1	Very high	92.1	Very high	22 Å²	22	62 Å²	62	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-67.4	-34.9	178.4	-62.2	-37.3	0	0	0	112.3	H219 M220 T223 Q519 L524 V525 Q531 S532	H219-W528 HydrophobicContact CB-CD2 3.44Å; H219-W528 VanDerWaalsContact CB-CD2 3.44Å; H219-W528 VanDerWaalsContact CB-CE2 3.46Å; H219-W528 HydrophobicContact CB-CE3 3.79Å; H219-W528 HydrophobicContact CB-CG 3.84Å; H219-W528 HydrophobicContact CB-CH2 4.17Å; H219-W528 HydrophobicContact CB-CZ2 3.85Å; H219-W528 HydrophobicContact CB-CZ3 4.14Å; H219-W528 AromaticContact CD2-CD1 3.83Å; H219-W528 AromaticContact CD2-CG 3.95Å; H219-W528 AromaticContact CG-CD1 3.96Å; H219-W528 AromaticContact CG-NE1 4Å; M220-W528 HydrophobicContact CB-CE3 4.49Å; M220-W528 HydrophobicContact CB-CZ3 3.81Å; T223-W528 HydrophobicContact CG2-CH2 4.1Å; T223-W528 HydrophobicContact CG2-CZ2 3.95Å; Q519-W528 HydrophobicContact CB-CZ3 4.49Å; Q519-W528 HydrophobicContact CG-CH2 4.22Å; Q519-W528 HydrophobicContact CG-CZ3 4.29Å; L524-W528 HydrophobicContact CB-CD2 4.5Å; L524-W528 HydrophobicContact CB-CE3 4.5Å; L524-W528 HydrophobicContact CB-CH2 4.08Å; L524-W528 HydrophobicContact CB-CZ2 4.08Å; L524-W528 HydrophobicContact CB-CZ3 4.29Å; L524-W528 VanDerWaalsContact O-CG 3.3Å; L524-W528 PolarHBondContact O-N 3.37Å; V525-W528 PolarHBondContact O-N 3.46Å; W528-Q531 PolarHBondContact O-N 3.26Å; W528-S532 WeakPolarHBondContact O-CB 3.35Å; W528-S532 PolarHBondContact O-N 2.89Å; W528-S532 PolarHBondContact O-OG 3.38Å
529	K	90.8	Very high	91.9	Very high	47 Å²	47	59.5 Å²	59.5	20%	0.204	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-42.1	173.2	-77.7	179.2	-177.6	-176.1	0	112.1	Y216 L282 D467 V525 T526 F527 S532	Y216-K529 HydrophobicContact CD1-CG 3.81Å; Y216-K529 HydrophobicContact CD2-CG 4.41Å; Y216-K529 HydrophobicContact CE1-CG 4.4Å; Y216-K529 HydrophobicContact CG-CG 3.78Å; L282-K529 VanDerWaalsContact CD2-NZ 3.28Å; D467-K529 WeakPolarHBondContact OD1-CE 3.05Å; D467-K529 IonicContact OD1-NZ 2.99Å; D467-K529 PolarHBondContact OD1-NZ 3.41Å; V525-K529 HydrophobicContact CG1-CD 4.46Å; V525-K529 WeakPolarHBondContact O-CB 3.2Å; V525-K529 VanDerWaalsContact O-CG 3.32Å; V525-K529 WeakPolarHBondContact O-CG 3.5Å; V525-K529 PolarHBondContact O-N 2.94Å; T526-K529 PolarHBondContact O-N 2.95Å; F527-K529 VanDerWaalsContact C-N 3.33Å; F527-K529 PolarHBondContact O-N 3.3Å; K529-S532 WeakPolarHBondContact O-CB 3.14Å; K529-S532 PolarHBondContact O-N 3.02Å
530	S	87.8	Confident	91.6	Very high	54 Å²	54	61.9 Å²	61.9	38%	0.378	32%	0.323	S	S	.	.	H	α-helix	trans	-70.7	-31.1	177.8	67.2	0	0	0	0	112.8	T526 F527	T526-S530 PolarHBondContact O-N 2.91Å; T526-S530 VanDerWaalsContact O-N 3.09Å; F527-S530 PolarHBondContact O-N 3.12Å; F527-S530 PolarHBondContact O-OG 2.87Å
531	Q	88.8	Confident	91.3	Very high	53 Å²	53	62.7 Å²	62.7	25%	0.248	33%	0.329	C	S	.	.	H	α-helix	trans	-78.3	-21.8	174.7	-71.4	-60.8	-32.2	0	0	114.1	F527 W528 F533 I534 E535	F527-Q531 HydrophobicContact CD2-CG 4.45Å; F527-Q531 HydrophobicContact CE1-CG 4.22Å; F527-Q531 HydrophobicContact CE2-CG 3.95Å; F527-Q531 HydrophobicContact CZ-CG 3.82Å; F527-Q531 PolarHBondContact O-N 2.95Å; F527-Q531 VanDerWaalsContact O-N 3.07Å; W528-Q531 PolarHBondContact O-N 3.26Å; Q531-F533 VanDerWaalsContact C-N 3.25Å; Q531-F533 PolarHBondContact O-N 3.28Å; Q531-F533 VanDerWaalsContact O-N 3.16Å; Q531-I534 WeakPolarHBondContact O-CB 3.44Å; Q531-I534 PolarHBondContact O-N 2.81Å; Q531-E535 PolarHBondContact O-N 3.42Å
532	S	89.6	Confident	90.9	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-55.2	-37.1	-173.9	-74.9	0	0	0	0	113.3	Y216 W528 K529 E535 M536	Y216-S532 PolarHBondContact N-OG 3.27Å; W528-S532 WeakPolarHBondContact O-CB 3.35Å; W528-S532 PolarHBondContact O-N 2.89Å; W528-S532 PolarHBondContact O-OG 3.38Å; K529-S532 WeakPolarHBondContact O-CB 3.14Å; K529-S532 PolarHBondContact O-N 3.02Å; S532-E535 PolarHBondContact O-N 3.3Å; S532-M536 WeakPolarHBondContact O-CG 3.28Å; S532-M536 PolarHBondContact O-N 2.86Å
533	F	89.1	Confident	90.4	Very high	14 Å²	14	51.3 Å²	51.3	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-45.1	175.4	173	-108.5	0	0	0	112.2	E474 Q475 I478 Q531 E535 M536 V537 A542 M544	E474-F533 HydrophobicContact CB-CB 4.24Å; E474-F533 HydrophobicContact CB-CD1 4.42Å; E474-F533 HydrophobicContact CB-CG 4.34Å; Q475-F533 HydrophobicContact CB-CD2 3.97Å; Q475-F533 HydrophobicContact CB-CE2 3.44Å; Q475-F533 VanDerWaalsContact CB-CE2 3.44Å; Q475-F533 HydrophobicContact CB-CZ 3.85Å; Q475-F533 HydrophobicContact CG-CD2 4.46Å; Q475-F533 HydrophobicContact CG-CE2 3.49Å; Q475-F533 VanDerWaalsContact CG-CE2 3.49Å; Q475-F533 HydrophobicContact CG-CZ 3.77Å; I478-F533 HydrophobicContact CD1-CE1 3.81Å; I478-F533 HydrophobicContact CD1-CZ 3.87Å; Q531-F533 VanDerWaalsContact C-N 3.25Å; Q531-F533 PolarHBondContact O-N 3.28Å; Q531-F533 VanDerWaalsContact O-N 3.16Å; F533-E535 VanDerWaalsContact C-N 3.26Å; F533-E535 PolarHBondContact O-N 3.45Å; F533-M536 WeakPolarHBondContact O-CB 3.42Å; F533-M536 PolarHBondContact O-N 2.88Å; F533-M536 VanDerWaalsContact O-N 3.16Å; F533-V537 HydrophobicContact CE1-CG2 4.02Å; F533-V537 HydrophobicContact CE2-CG2 4.01Å; F533-V537 HydrophobicContact CZ-CG2 3.72Å; F533-V537 WeakPolarHBondContact O-CG2 3.3Å; F533-V537 PolarHBondContact O-N 3.33Å; F533-A542 HydrophobicContact CD2-CB 4.48Å; F533-A542 HydrophobicContact CE2-CB 4Å; F533-M544 HydrophobicContact CE1-SD 3.66Å; F533-M544 HydrophobicContact CZ-SD 3.92Å
534	I	90.2	Very high	89.9	Confident	70 Å²	70	54.9 Å²	54.9	36%	0.359	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-36.4	177.8	-64.3	168.5	0	0	0	110.5	Q531 V537 R538	Q531-I534 WeakPolarHBondContact O-CB 3.44Å; Q531-I534 PolarHBondContact O-N 2.81Å; I534-V537 PolarHBondContact O-N 3.35Å; I534-R538 HydrophobicContact CG2-CG 4.46Å; I534-R538 WeakPolarHBondContact O-CG 3.29Å; I534-R538 PolarHBondContact O-N 2.74Å
535	E	92.3	Very high	89.4	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.065	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-41	174.8	-66.9	-179.1	174.1	0	0	112.4	M214 G215 H219 Q531 S532 F533 V537 R538 L539	M214-E535 HydrophobicContact SD-CB 4.27Å; M214-E535 HydrophobicContact SD-CG 4.27Å; G215-E535 PolarHBondContact N-OE2 2.79Å; H219-E535 IonicContact CD2-OE1 3.27Å; H219-E535 IonicContact CD2-OE2 2.87Å; H219-E535 IonicContact CE1-OE1 2.62Å; H219-E535 VanDerWaalsContact NE2-CD 3.34Å; H219-E535 IonicContact NE2-OE1 2.84Å; H219-E535 PolarHBondContact NE2-OE1 3.12Å; H219-E535 IonicContact NE2-OE2 3.97Å; H219-E535 PolarHBondContact NE2-OE2 2.91Å; Q531-E535 PolarHBondContact O-N 3.42Å; S532-E535 PolarHBondContact O-N 3.3Å; F533-E535 VanDerWaalsContact C-N 3.26Å; F533-E535 PolarHBondContact O-N 3.45Å; E535-V537 VanDerWaalsContact C-N 3.32Å; E535-V537 PolarHBondContact O-N 3.15Å; E535-R538 PolarHBondContact O-N 3.48Å; E535-L539 WeakPolarHBondContact O-CG 3.47Å; E535-L539 PolarHBondContact O-N 2.63Å; E535-L539 VanDerWaalsContact O-N 3.14Å
536	M	91.4	Very high	89	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.03	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-44.3	172.4	-66.2	177.5	74.8	0	0	111.6	V197 P198 I201 S532 F533 L539 G540 L541 A542	V197-M536 HydrophobicContact CB-CE 4Å; V197-M536 HydrophobicContact CG2-CE 3.59Å; P198-M536 HydrophobicContact CB-CG 3.84Å; P198-M536 HydrophobicContact CB-SD 3.6Å; P198-M536 HydrophobicContact CG-SD 4.37Å; I201-M536 HydrophobicContact CD1-CG 3.88Å; S532-M536 WeakPolarHBondContact O-CG 3.28Å; S532-M536 PolarHBondContact O-N 2.86Å; F533-M536 WeakPolarHBondContact O-CB 3.42Å; F533-M536 PolarHBondContact O-N 2.88Å; F533-M536 VanDerWaalsContact O-N 3.16Å; M536-L539 CarbonylContact O-C 3.55Å; M536-L539 PolarHBondContact O-N 2.93Å; M536-G540 PolarHBondContact O-N 3.26Å; M536-G540 VanDerWaalsContact O-N 3.16Å; M536-L541 HydrophobicContact CB-CB 4.26Å; M536-L541 PolarHBondContact O-N 2.99Å; M536-A542 HydrophobicContact CB-CB 3.73Å; M536-A542 HydrophobicContact CE-CB 4.08Å; M536-A542 PolarHBondContact O-N 3.23Å; M536-A542 HydrophobicContact SD-CB 4.48Å
537	V	91.3	Very high	88.6	Confident	41 Å²	41	58.3 Å²	58.3	25%	0.248	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-45.8	178.7	171.9	0	0	0	0	111	F533 I534 E535 L539 G540 A542 M544	F533-V537 HydrophobicContact CE1-CG2 4.02Å; F533-V537 HydrophobicContact CE2-CG2 4.01Å; F533-V537 HydrophobicContact CZ-CG2 3.72Å; F533-V537 WeakPolarHBondContact O-CG2 3.3Å; F533-V537 PolarHBondContact O-N 3.33Å; I534-V537 PolarHBondContact O-N 3.35Å; E535-V537 VanDerWaalsContact C-N 3.32Å; E535-V537 PolarHBondContact O-N 3.15Å; V537-L539 PolarHBondContact O-N 3.35Å; V537-G540 PolarHBondContact O-N 3.4Å; V537-A542 HydrophobicContact CG2-CB 3.99Å; V537-M544 HydrophobicContact CB-CG 4.41Å; V537-M544 HydrophobicContact CG1-CG 3.55Å; V537-M544 HydrophobicContact CG1-SD 4.27Å; V537-M544 HydrophobicContact CG2-CG 3.95Å; V537-M544 HydrophobicContact CG2-SD 3.91Å
538	R	90.9	Very high	88	Confident	172 Å²	172	53.9 Å²	53.9	65%	0.649	29%	0.288	S	S	*	.	H	α-helix	trans	-58.5	-33.6	177.8	-75.5	176.5	-173.1	162.3	6	112.8	I534 E535 G540	I534-R538 HydrophobicContact CG2-CG 4.46Å; I534-R538 WeakPolarHBondContact O-CG 3.29Å; I534-R538 PolarHBondContact O-N 2.74Å; E535-R538 PolarHBondContact O-N 3.48Å; R538-G540 VanDerWaalsContact C-N 3.35Å
539	L	90.1	Very high	86.8	Confident	61 Å²	61	62 Å²	62	32%	0.319	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	5.6	179.1	-65.1	174.7	0	0	0	113.2	I201 Y203 M214 E535 M536 V537 L541	I201-L539 HydrophobicContact CB-CD1 4.25Å; I201-L539 HydrophobicContact CG2-CD1 3.44Å; I201-L539 VanDerWaalsContact CG2-CD1 3.44Å; Y203-L539 HydrophobicContact CD1-CD1 4.37Å; Y203-L539 HydrophobicContact CD2-CD2 4.27Å; Y203-L539 HydrophobicContact CG-CD1 4.4Å; Y203-L539 HydrophobicContact CG-CD2 4.09Å; M214-L539 HydrophobicContact SD-CD1 3.92Å; M214-L539 HydrophobicContact SD-CG 4.46Å; E535-L539 WeakPolarHBondContact O-CG 3.47Å; E535-L539 PolarHBondContact O-N 2.63Å; E535-L539 VanDerWaalsContact O-N 3.14Å; M536-L539 CarbonylContact O-C 3.55Å; M536-L539 PolarHBondContact O-N 2.93Å; V537-L539 PolarHBondContact O-N 3.35Å; L539-L541 HydrophobicContact CB-CD1 4.24Å; L539-L541 HydrophobicContact CB-CG 4.24Å; L539-L541 PolarHBondContact O-N 3.42Å
540	G	88.1	Confident	85.2	Confident	66 Å²	66	67.6 Å²	67.6	68%	0.68	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	17.5	179	0	0	0	0	0	114.6	M536 V537 R538	M536-G540 PolarHBondContact O-N 3.26Å; M536-G540 VanDerWaalsContact O-N 3.16Å; V537-G540 PolarHBondContact O-N 3.4Å; R538-G540 VanDerWaalsContact C-N 3.35Å
541	L	86.8	Confident	83.6	Confident	93 Å²	93	72.1 Å²	72.1	49%	0.487	35%	0.352	S	S	.	.	S	Bend	trans	-87.6	-23.3	178.6	-62	173.3	0	0	0	112.6	V197 I201 M536 L539	V197-L541 HydrophobicContact CG1-CD1 4.21Å; I201-L541 HydrophobicContact CD1-CD1 4.37Å; I201-L541 HydrophobicContact CG2-CD1 3.4Å; I201-L541 VanDerWaalsContact CG2-CD1 3.4Å; M536-L541 HydrophobicContact CB-CB 4.26Å; M536-L541 PolarHBondContact O-N 2.99Å; L539-L541 HydrophobicContact CB-CD1 4.24Å; L539-L541 HydrophobicContact CB-CG 4.24Å; L539-L541 PolarHBondContact O-N 3.42Å
542	A	86.1	Confident	81.8	Confident	17 Å²	17	76.3 Å²	76.3	14%	0.14	38%	0.376	C	S	.	.	S	Bend	trans	-126.1	153.3	171.2	0	0	0	0	0	109.8	F533 M536 V537	F533-A542 HydrophobicContact CD2-CB 4.48Å; F533-A542 HydrophobicContact CE2-CB 4Å; M536-A542 HydrophobicContact CB-CB 3.73Å; M536-A542 HydrophobicContact CE-CB 4.08Å; M536-A542 PolarHBondContact O-N 3.23Å; M536-A542 HydrophobicContact SD-CB 4.48Å; V537-A542 HydrophobicContact CG2-CB 3.99Å
543	S	84	Confident	80.1	Confident	42 Å²	42	81.8 Å²	81.8	29%	0.294	40%	0.402	S	S	.	.			trans	-104.5	146	174.4	-172.7	0	0	0	0	110.5	Q475 E545	Q475-S543 PolarHBondContact NE2-O 3.3Å; S543-E545 PolarHBondContact O-N 2.74Å; S543-E545 WeakPolarHBondContact OG-CB 3.39Å; S543-E545 WeakPolarHBondContact OG-CG 3.33Å; S543-E545 PolarHBondContact OG-N 2.83Å; S543-E545 PolarHBondContact OG-OE2 3.09Å
544	M	84.4	Confident	78.4	Confident	104 Å²	104	85.8 Å²	85.8	51%	0.512	42%	0.421	S	S	.	.			trans	-86	13	168.9	-68.5	-73.9	-65.7	0	0	111.8	I478 F533 V537	I478-M544 HydrophobicContact CD1-CE 3.44Å; I478-M544 VanDerWaalsContact CD1-CE 3.44Å; I478-M544 HydrophobicContact CD1-SD 3.38Å; I478-M544 WeakPolarHBondContact CD1-SD 3.49Å; I478-M544 HydrophobicContact CG1-CE 4.11Å; I478-M544 WeakPolarHBondContact CG2-O 3.42Å; F533-M544 HydrophobicContact CE1-SD 3.66Å; F533-M544 HydrophobicContact CZ-SD 3.92Å; V537-M544 HydrophobicContact CB-CG 4.41Å; V537-M544 HydrophobicContact CG1-CG 3.55Å; V537-M544 HydrophobicContact CG1-SD 4.27Å; V537-M544 HydrophobicContact CG2-CG 3.95Å; V537-M544 HydrophobicContact CG2-SD 3.91Å
545	E	85.4	Confident	76.9	Confident	130 Å²	130	89.7 Å²	89.7	61%	0.607	45%	0.447	S	S	*	.	S	Bend	trans	-78.2	151	175.8	-70.9	169.5	180	0	0	111.4	F479 S543 L547	F479-E545 WeakPolarHBondContact CE1-O 3.28Å; S543-E545 PolarHBondContact O-N 2.74Å; S543-E545 WeakPolarHBondContact OG-CB 3.39Å; S543-E545 WeakPolarHBondContact OG-CG 3.33Å; S543-E545 PolarHBondContact OG-N 2.83Å; S543-E545 PolarHBondContact OG-OE2 3.09Å; E545-L547 PolarHBondContact O-N 3.07Å; E545-L547 VanDerWaalsContact O-N 3.14Å
546	D	84.1	Confident	75.8	Confident	47 Å²	47	92.4 Å²	92.4	25%	0.251	47%	0.468	S	S	.	.			trans	-72.9	103.1	170.2	-172.2	-3.4	0	0	0	109.7	F479 A480 S548	F479-D546 WeakPolarHBondContact CA-OD1 3.47Å; F479-D546 VanDerWaalsContact CB-OD1 3.31Å; F479-D546 WeakPolarHBondContact CB-OD1 3.45Å; F479-D546 HydrophobicContact CD1-CB 4.45Å; F479-D546 WeakPolarHBondContact CD1-OD1 3.48Å; F479-D546 WeakPolarHBondContact CG-OD1 3.48Å; A480-D546 WeakPolarHBondContact CB-OD2 3.2Å; A480-D546 PolarHBondContact N-OD2 3.46Å; D546-S548 VanDerWaalsContact C-N 3.32Å; D546-S548 VanDerWaalsContact CG-OG 3.27Å; D546-S548 WeakPolarHBondContact OD1-CB 3.36Å; D546-S548 PolarHBondContact OD1-N 2.99Å; D546-S548 PolarHBondContact OD1-OG 3.45Å; D546-S548 PolarHBondContact OD2-OG 3.01Å
547	L	83.5	Confident	75	Confident	60 Å²	60	96.6 Å²	96.6	31%	0.314	49%	0.49	S	S	.	.			trans	-89.5	0.2	175.9	-56.8	176.6	0	0	0	112.3	F456 F479 E545	F456-L547 HydrophobicContact CB-CB 4.5Å; F456-L547 HydrophobicContact CD2-CB 4.49Å; F456-L547 HydrophobicContact CD2-CD1 3.87Å; F456-L547 HydrophobicContact CE2-CD1 4.34Å; F479-L547 HydrophobicContact CE1-CB 4.1Å; F479-L547 HydrophobicContact CE1-CG 4.39Å; F479-L547 HydrophobicContact CE2-CB 4.21Å; F479-L547 HydrophobicContact CZ-CB 3.65Å; F479-L547 HydrophobicContact CZ-CD1 4.4Å; F479-L547 HydrophobicContact CZ-CG 4.19Å; E545-L547 PolarHBondContact O-N 3.07Å; E545-L547 VanDerWaalsContact O-N 3.14Å
548	S	79.5	Confident	74.7	Confident	16 Å²	16	98.3 Å²	98.3	11%	0.112	50%	0.497	C	S	.	.	S	Bend	trans	-58.8	145.7	170.3	73.3	0	0	0	0	108.7	E481 D546 K550	E481-S548 WeakPolarHBondContact O-CB 3.32Å; D546-S548 VanDerWaalsContact C-N 3.32Å; D546-S548 VanDerWaalsContact CG-OG 3.27Å; D546-S548 WeakPolarHBondContact OD1-CB 3.36Å; D546-S548 PolarHBondContact OD1-N 2.99Å; D546-S548 PolarHBondContact OD1-OG 3.45Å; D546-S548 PolarHBondContact OD2-OG 3.01Å; S548-K550 VanDerWaalsContact C-N 3.28Å; S548-K550 PolarHBondContact O-N 3.35Å
549	R	67.9	Low	74.3	Confident	194 Å²	194	96.4 Å²	96.4	73%	0.732	50%	0.499	S	S	*	.			trans	-63.8	100.8	170.9	-172.1	173.6	-178.4	173.1	0.1	105.7	R551	R549-R551 PolarHBondContact O-N 2.88Å
550	K	57.6	Low	73.9	Confident	164 Å²	164	98.6 Å²	98.6	71%	0.713	51%	0.511	S	S	*	.			trans	-55.6	86.6	165.3	-79.9	-178.1	179.3	174.6	0	106.9	S548 N552	S548-K550 VanDerWaalsContact C-N 3.28Å; S548-K550 PolarHBondContact O-N 3.35Å; K550-N552 PolarHBondContact O-N 3.41Å
551	R	55.4	Low	73.7	Confident	149 Å²	149	96.6 Å²	96.6	56%	0.562	49%	0.485	S	S	*	.			trans	-60.6	124.4	155.6	-106.5	174.9	172.9	179.7	-3.5	102.5	K295 R549 E553	K295-R551 PolarHBondContact O-NH1 2.96Å; R549-R551 PolarHBondContact O-N 2.88Å; R551-E553 PolarHBondContact O-N 2.9Å
552	N	50.3	Low	73.8	Confident	140 Å²	140	95.2 Å²	95.2	75%	0.749	48%	0.477	S	S	*	.			trans	-57.6	90.3	156.8	-63.2	-28.4	0	0	0	103.4	K550 E554	K550-N552 PolarHBondContact O-N 3.41Å; N552-E554 HydrophobicContact CB-CG 4.38Å; N552-E554 PolarHBondContact O-N 3.27Å
553	E	52.6	Low	73.8	Confident	117 Å²	117	95.6 Å²	95.6	55%	0.547	48%	0.479	S	S	.	.			trans	-62.3	90.9	161.9	-70.8	-165.8	147.2	0	0	102.5	K295 R551 V555	K295-E553 IonicContact NZ-OE1 3.09Å; K295-E553 PolarHBondContact NZ-OE1 3.21Å; R551-E553 PolarHBondContact O-N 2.9Å; E553-V555 WeakPolarHBondContact O-CG2 3.32Å; E553-V555 PolarHBondContact O-N 3.07Å
554	E	54.5	Low	73.8	Confident	99 Å²	99	101.8 Å²	101.8	46%	0.463	50%	0.496	S	S	.	.			trans	-63.4	99.8	173.4	-71.4	-173.6	-175.2	0	0	104.7	N552 S556 L558	N552-E554 HydrophobicContact CB-CG 4.38Å; N552-E554 PolarHBondContact O-N 3.27Å; E554-S556 PolarHBondContact O-N 3.07Å; E554-L558 WeakPolarHBondContact OE2-CD1 3.35Å; E554-L558 WeakPolarHBondContact OE2-CD2 3.42Å; E554-L558 VanDerWaalsContact OE2-CG 3.29Å; E554-L558 WeakPolarHBondContact OE2-CG 3.5Å
555	V	58.1	Low	74	Confident	151 Å²	151	100.6 Å²	100.6	92%	0.915	49%	0.491	S	S	*	.	S	Bend	trans	-56.1	-15.7	179.1	-177.3	0	0	0	0	110.8	E553	E553-V555 WeakPolarHBondContact O-CG2 3.32Å; E553-V555 PolarHBondContact O-N 3.07Å
556	S	69	Low	74.1	Confident	71 Å²	71	98.4 Å²	98.4	50%	0.497	48%	0.483	S	S	.	.	S	Bend	trans	-101.6	128.4	178	53.3	0	0	0	0	112.5	E554 L558	E554-S556 PolarHBondContact O-N 3.07Å; S556-L558 PolarHBondContact O-N 3.09Å
557	L	76.1	Confident	74.4	Confident	94 Å²	94	102.3 Å²	102.3	49%	0.492	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-57.5	127.2	162.4	-69.3	165	0	0	0	109.8	Y298 F392	Y298-L557 HydrophobicContact CG-CD2 4.33Å; F392-L557 HydrophobicContact CD1-CD2 4.27Å; F392-L557 HydrophobicContact CE1-CD2 3.99Å; F392-L557 HydrophobicContact CE2-CD1 4.28Å; F392-L557 HydrophobicContact CZ-CD1 4.5Å; F392-L557 HydrophobicContact CZ-CD2 4.19Å
558	L	83.3	Confident	74.7	Confident	77 Å²	77	105.1 Å²	105.1	40%	0.403	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-86.8	157.2	176.6	-68.5	179.3	0	0	0	110.9	E554 S556 D560 D561	E554-L558 WeakPolarHBondContact OE2-CD1 3.35Å; E554-L558 WeakPolarHBondContact OE2-CD2 3.42Å; E554-L558 VanDerWaalsContact OE2-CG 3.29Å; E554-L558 WeakPolarHBondContact OE2-CG 3.5Å; S556-L558 PolarHBondContact O-N 3.09Å; L558-D560 HydrophobicContact CB-CB 4.48Å; L558-D560 PolarHBondContact O-N 3.44Å; L558-D561 PolarHBondContact N-OD2 2.74Å; L558-D561 WeakPolarHBondContact O-CB 3.45Å; L558-D561 PolarHBondContact O-N 3.35Å; L558-D561 VanDerWaalsContact O-N 3.11Å
559	L	83.6	Confident	75.3	Confident	133 Å²	133	110.9 Å²	110.9	70%	0.696	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.5	170.3	-169.2	69.5	0	0	0	111.7	D561 I562 S563	L559-D561 VanDerWaalsContact C-N 3.28Å; L559-D561 PolarHBondContact O-N 3.14Å; L559-I562 HydrophobicContact CD1-CD1 3.99Å; L559-I562 HydrophobicContact CD1-CG1 4.17Å; L559-I562 WeakPolarHBondContact O-CG1 3.38Å; L559-I562 PolarHBondContact O-N 2.92Å; L559-S563 PolarHBondContact O-N 3.38Å
560	D	82.1	Confident	76.6	Confident	107 Å²	107	105.6 Å²	105.6	57%	0.572	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-30.6	177.9	-157.5	27.9	0	0	0	112.3	L558 I562 S563	L558-D560 HydrophobicContact CB-CB 4.48Å; L558-D560 PolarHBondContact O-N 3.44Å; D560-I562 VanDerWaalsContact C-N 3.27Å; D560-I562 PolarHBondContact O-N 2.83Å; D560-S563 VanDerWaalsContact O-CB 3.22Å; D560-S563 WeakPolarHBondContact O-CB 3.15Å; D560-S563 PolarHBondContact O-N 2.9Å; D560-S563 VanDerWaalsContact O-N 3.1Å; D560-S563 PolarHBondContact O-OG 3.3Å; D560-S563 PolarHBondContact OD1-OG 3.17Å
561	D	84.1	Confident	78.4	Confident	23 Å²	23	99.3 Å²	99.3	12%	0.123	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32	178.6	-64	-44.1	0	0	0	112.5	N299 L558 L559	N299-D561 WeakPolarHBondContact CA-O 3.35Å; L558-D561 PolarHBondContact N-OD2 2.74Å; L558-D561 WeakPolarHBondContact O-CB 3.45Å; L558-D561 PolarHBondContact O-N 3.35Å; L558-D561 VanDerWaalsContact O-N 3.11Å; L559-D561 VanDerWaalsContact C-N 3.28Å; L559-D561 PolarHBondContact O-N 3.14Å
562	I	87.3	Confident	80.1	Confident	64 Å²	64	94.8 Å²	94.8	33%	0.328	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	3.1	176.3	63.9	170.4	0	0	0	113.4	Y302 L559 D560 W564 I565 L566	Y302-I562 HydrophobicContact CE2-CG2 4.07Å; Y302-I562 WeakPolarHBondContact OH-CG2 3.27Å; L559-I562 HydrophobicContact CD1-CD1 3.99Å; L559-I562 HydrophobicContact CD1-CG1 4.17Å; L559-I562 WeakPolarHBondContact O-CG1 3.38Å; L559-I562 PolarHBondContact O-N 2.92Å; D560-I562 VanDerWaalsContact C-N 3.27Å; D560-I562 PolarHBondContact O-N 2.83Å; I562-W564 VanDerWaalsContact C-N 3.26Å; I562-W564 PolarHBondContact O-N 2.92Å; I562-I565 PolarHBondContact O-N 2.96Å; I562-I565 VanDerWaalsContact O-N 3.14Å; I562-L566 PolarHBondContact O-N 3.41Å
563	S	86.8	Confident	82.3	Confident	26 Å²	26	92.3 Å²	92.3	18%	0.182	48%	0.48	C	S	.	.	H	α-helix	trans	-60.4	-36.3	-172.7	71.7	0	0	0	0	112.6	L559 D560 L566 K567	L559-S563 PolarHBondContact O-N 3.38Å; D560-S563 VanDerWaalsContact O-CB 3.22Å; D560-S563 WeakPolarHBondContact O-CB 3.15Å; D560-S563 PolarHBondContact O-N 2.9Å; D560-S563 VanDerWaalsContact O-N 3.1Å; D560-S563 PolarHBondContact O-OG 3.3Å; D560-S563 PolarHBondContact OD1-OG 3.17Å; S563-L566 PolarHBondContact O-N 3.3Å; S563-K567 WeakPolarHBondContact O-CB 3.49Å; S563-K567 VanDerWaalsContact O-CG 3.23Å; S563-K567 WeakPolarHBondContact O-CG 3.35Å; S563-K567 PolarHBondContact O-N 3.32Å
564	W	84.7	Confident	84.3	Confident	172 Å²	172	94 Å²	94	65%	0.652	49%	0.486	S	S	*	.	H	α-helix	trans	-65.4	-44.2	177.7	-175.8	-107.5	0	0	0	112.2	I562 L566 K567 L568	I562-W564 VanDerWaalsContact C-N 3.26Å; I562-W564 PolarHBondContact O-N 2.92Å; W564-L566 VanDerWaalsContact C-N 3.32Å; W564-L566 PolarHBondContact O-N 3.24Å; W564-K567 PolarHBondContact O-N 2.9Å; W564-L568 PolarHBondContact O-N 3.09Å
565	I	87.2	Confident	86.2	Confident	78 Å²	78	94.7 Å²	94.7	40%	0.4	49%	0.492	S	S	.	.	H	α-helix	trans	-62.5	-43.3	176.8	-63.3	170.1	0	0	0	109.9	Y302 I562 K567 L568 Y569	Y302-I565 HydrophobicContact CD1-CD1 3.61Å; Y302-I565 HydrophobicContact CD2-CD1 3.92Å; Y302-I565 HydrophobicContact CE1-CD1 3.94Å; Y302-I565 HydrophobicContact CE2-CD1 4.23Å; Y302-I565 HydrophobicContact CG-CD1 3.58Å; I562-I565 PolarHBondContact O-N 2.96Å; I562-I565 VanDerWaalsContact O-N 3.14Å; I565-K567 PolarHBondContact O-N 3.46Å; I565-L568 PolarHBondContact O-N 3.05Å; I565-Y569 WeakPolarHBondContact O-CB 3.38Å; I565-Y569 PolarHBondContact O-N 3.47Å
566	L	89.4	Confident	87.8	Confident	84 Å²	84	91.1 Å²	91.1	44%	0.44	47%	0.473	S	S	.	.	H	α-helix	trans	-64.3	-41.1	178.7	-168.8	68.9	0	0	0	111.9	I562 S563 W564 L568 Y569 L570	I562-L566 PolarHBondContact O-N 3.41Å; S563-L566 PolarHBondContact O-N 3.3Å; W564-L566 VanDerWaalsContact C-N 3.32Å; W564-L566 PolarHBondContact O-N 3.24Å; L566-L568 VanDerWaalsContact C-N 3.35Å; L566-L568 PolarHBondContact O-N 2.85Å; L566-Y569 PolarHBondContact O-N 2.9Å; L566-L570 HydrophobicContact CG-CD1 4.47Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 3.5Å
567	K	90.4	Very high	88.9	Confident	130 Å²	130	90.6 Å²	90.6	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-60.7	-43.5	174.1	-73.7	165.2	-172.9	165.1	0	111.5	S563 W564 I565 L570 G571	S563-K567 WeakPolarHBondContact O-CB 3.49Å; S563-K567 VanDerWaalsContact O-CG 3.23Å; S563-K567 WeakPolarHBondContact O-CG 3.35Å; S563-K567 PolarHBondContact O-N 3.32Å; W564-K567 PolarHBondContact O-N 2.9Å; I565-K567 PolarHBondContact O-N 3.46Å; K567-L570 PolarHBondContact O-N 3.24Å; K567-G571 PolarHBondContact O-N 3.2Å
568	L	89.8	Confident	89.8	Confident	119 Å²	119	92.1 Å²	92.1	62%	0.623	47%	0.472	S	S	*	.	H	α-helix	trans	-63.5	-44.4	176.7	-171.9	151.3	0	0	0	111.4	W564 I565 L566 G571 A572	W564-L568 PolarHBondContact O-N 3.09Å; I565-L568 PolarHBondContact O-N 3.05Å; L566-L568 VanDerWaalsContact C-N 3.35Å; L566-L568 PolarHBondContact O-N 2.85Å; L568-G571 PolarHBondContact O-N 3.24Å; L568-A572 PolarHBondContact O-N 3.46Å
569	Y	91.9	Very high	90.1	Very high	136 Å²	136	91.3 Å²	91.3	53%	0.533	47%	0.473	S	S	.	.	H	α-helix	trans	-59.2	-48.9	175.5	173.4	-102.3	0	0	0	112.1	I565 L566 G571 A572 M573	I565-Y569 WeakPolarHBondContact O-CB 3.38Å; I565-Y569 PolarHBondContact O-N 3.47Å; L566-Y569 PolarHBondContact O-N 2.9Å; Y569-G571 VanDerWaalsContact C-N 3.35Å; Y569-G571 PolarHBondContact O-N 2.86Å; Y569-A572 PolarHBondContact O-N 2.91Å; Y569-M573 HydrophobicContact CD1-CG 4.43Å; Y569-M573 HydrophobicContact CE1-CG 3.98Å; Y569-M573 HydrophobicContact CE2-CG 4.07Å; Y569-M573 HydrophobicContact CE2-SD 4.32Å; Y569-M573 WeakPolarHBondContact O-CG 3.19Å; Y569-M573 PolarHBondContact O-N 3.31Å
570	L	94.3	Very high	90.5	Very high	83 Å²	83	91 Å²	91	44%	0.435	47%	0.466	S	S	.	.	H	α-helix	trans	-60.7	-44.4	177	-71.7	174.3	0	0	0	111.3	L566 K567 A572 M573 F574	L566-L570 HydrophobicContact CG-CD1 4.47Å; L566-L570 WeakPolarHBondContact O-CG 3.45Å; L566-L570 PolarHBondContact O-N 3.5Å; K567-L570 PolarHBondContact O-N 3.24Å; L570-A572 VanDerWaalsContact C-N 3.34Å; L570-A572 PolarHBondContact O-N 3.2Å; L570-M573 WeakPolarHBondContact O-CB 3.28Å; L570-M573 PolarHBondContact O-N 3.37Å; L570-F574 WeakPolarHBondContact O-CD2 3.38Å; L570-F574 PolarHBondContact O-N 3.35Å
571	G	95.2	Very high	91	Very high	32 Å²	32	90.2 Å²	90.2	33%	0.33	46%	0.461	S	S	.	.	H	α-helix	trans	-56.7	-45.7	174.8	0	0	0	0	0	112.7	K567 L568 Y569 M573 F574 I575	K567-G571 PolarHBondContact O-N 3.2Å; L568-G571 PolarHBondContact O-N 3.24Å; Y569-G571 VanDerWaalsContact C-N 3.35Å; Y569-G571 PolarHBondContact O-N 2.86Å; G571-M573 PolarHBondContact O-N 2.87Å; G571-F574 PolarHBondContact O-N 2.95Å; G571-I575 WeakPolarHBondContact O-CG1 3.44Å; G571-I575 PolarHBondContact O-N 3.41Å
572	A	92.6	Very high	91.3	Very high	54 Å²	54	93.1 Å²	93.1	45%	0.446	48%	0.476	S	S	.	.	H	α-helix	trans	-63.3	-39.9	176.6	0	0	0	0	0	112.5	L568 Y569 L570 I575 S576	L568-A572 PolarHBondContact O-N 3.46Å; Y569-A572 PolarHBondContact O-N 2.91Å; L570-A572 VanDerWaalsContact C-N 3.34Å; L570-A572 PolarHBondContact O-N 3.2Å; A572-I575 PolarHBondContact O-N 2.87Å; A572-S576 WeakPolarHBondContact O-CB 3.44Å; A572-S576 PolarHBondContact O-N 3.13Å
573	M	94.7	Very high	91.5	Very high	89 Å²	89	96.4 Å²	96.4	44%	0.438	49%	0.49	S	S	.	.	H	α-helix	trans	-64	-39.9	175.6	-73.2	-62.9	-66	0	0	112.4	Y569 L570 G571 S576 S577	Y569-M573 HydrophobicContact CD1-CG 4.43Å; Y569-M573 HydrophobicContact CE1-CG 3.98Å; Y569-M573 HydrophobicContact CE2-CG 4.07Å; Y569-M573 HydrophobicContact CE2-SD 4.32Å; Y569-M573 WeakPolarHBondContact O-CG 3.19Å; Y569-M573 PolarHBondContact O-N 3.31Å; L570-M573 WeakPolarHBondContact O-CB 3.28Å; L570-M573 PolarHBondContact O-N 3.37Å; G571-M573 PolarHBondContact O-N 2.87Å; M573-S576 PolarHBondContact O-N 3.5Å; M573-S577 WeakPolarHBondContact O-CB 3.38Å; M573-S577 PolarHBondContact O-N 3.04Å; M573-S577 PolarHBondContact O-OG 2.86Å
574	F	95.4	Very high	91.7	Very high	152 Å²	152	99.6 Å²	99.6	67%	0.667	50%	0.504	S	S	*	.	H	α-helix	trans	-63.1	-45	174.1	-80.3	-66.5	0	0	0	111.7	L570 G571 S577 F578	L570-F574 WeakPolarHBondContact O-CD2 3.38Å; L570-F574 PolarHBondContact O-N 3.35Å; G571-F574 PolarHBondContact O-N 2.95Å; F574-S577 PolarHBondContact O-N 3.29Å; F574-F578 WeakPolarHBondContact O-CB 3.36Å; F574-F578 PolarHBondContact O-N 2.88Å
575	I	93.8	Very high	91.8	Very high	114 Å²	114	96.3 Å²	96.3	59%	0.585	50%	0.498	S	S	*	.	H	α-helix	trans	-61.8	-45.9	177.3	-66.6	165.4	0	0	0	110.6	G571 A572 S577 F578 C579	G571-I575 WeakPolarHBondContact O-CG1 3.44Å; G571-I575 PolarHBondContact O-N 3.41Å; A572-I575 PolarHBondContact O-N 2.87Å; I575-S577 PolarHBondContact O-N 3.49Å; I575-F578 PolarHBondContact O-N 2.98Å; I575-C579 PolarHBondContact O-N 3.05Å; I575-C579 PolarHBondContact O-SG 2.97Å; I575-C579 VanDerWaalsContact O-SG 3.36Å
576	S	92	Very high	91.5	Very high	76 Å²	76	101.2 Å²	101.2	53%	0.531	51%	0.512	S	S	.	.	H	α-helix	trans	-59.9	-46.2	177.6	-180	0	0	0	0	111.8	A572 M573 F578 C579 F580	A572-S576 WeakPolarHBondContact O-CB 3.44Å; A572-S576 PolarHBondContact O-N 3.13Å; M573-S576 PolarHBondContact O-N 3.5Å; S576-F578 VanDerWaalsContact C-N 3.33Å; S576-F578 PolarHBondContact O-N 3.48Å; S576-C579 PolarHBondContact O-N 3.37Å; S576-F580 WeakPolarHBondContact O-CB 3.45Å; S576-F580 PolarHBondContact O-N 2.99Å
577	S	93.3	Very high	90.5	Very high	60 Å²	60	100.8 Å²	100.8	42%	0.42	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-41	177.3	-57.7	0	0	0	0	111.7	M573 F574 I575 F580 I581	M573-S577 WeakPolarHBondContact O-CB 3.38Å; M573-S577 PolarHBondContact O-N 3.04Å; M573-S577 PolarHBondContact O-OG 2.86Å; F574-S577 PolarHBondContact O-N 3.29Å; I575-S577 PolarHBondContact O-N 3.49Å; S577-F580 PolarHBondContact O-N 3.33Å; S577-I581 VanDerWaalsContact O-CG1 3.27Å; S577-I581 WeakPolarHBondContact O-CG1 3.35Å; S577-I581 PolarHBondContact O-N 3.33Å
578	F	93.6	Very high	89.5	Confident	126 Å²	126	96.2 Å²	96.2	55%	0.553	51%	0.505	S	S	*	.	H	α-helix	trans	-64.5	-46.1	177	-177.9	-105.7	0	0	0	112.1	F574 I575 S576 F580 I581 L582	F574-F578 WeakPolarHBondContact O-CB 3.36Å; F574-F578 PolarHBondContact O-N 2.88Å; I575-F578 PolarHBondContact O-N 2.98Å; S576-F578 VanDerWaalsContact C-N 3.33Å; S576-F578 PolarHBondContact O-N 3.48Å; F578-F580 VanDerWaalsContact C-N 3.32Å; F578-F580 PolarHBondContact O-N 3.39Å; F578-I581 PolarHBondContact O-N 3.27Å; F578-L582 HydrophobicContact CD1-CD1 3.89Å; F578-L582 HydrophobicContact CD1-CG 4.44Å; F578-L582 HydrophobicContact CE1-CD1 3.41Å; F578-L582 VanDerWaalsContact CE1-CD1 3.41Å; F578-L582 HydrophobicContact CE1-CG 4.12Å; F578-L582 HydrophobicContact CZ-CD1 3.85Å; F578-L582 HydrophobicContact CZ-CD2 4.32Å; F578-L582 HydrophobicContact CZ-CG 4.18Å; F578-L582 WeakPolarHBondContact O-CG 3.19Å; F578-L582 PolarHBondContact O-N 3.35Å
579	C	90.4	Very high	88.5	Confident	60 Å²	60	96.4 Å²	96.4	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-58.2	-44.2	174.3	-71.7	0	0	0	0	111.7	I575 S576 I581 L582 E583	I575-C579 PolarHBondContact O-N 3.05Å; I575-C579 PolarHBondContact O-SG 2.97Å; I575-C579 VanDerWaalsContact O-SG 3.36Å; S576-C579 PolarHBondContact O-N 3.37Å; C579-I581 PolarHBondContact O-N 3.44Å; C579-L582 PolarHBondContact O-N 3.2Å; C579-E583 WeakPolarHBondContact O-CG 3.34Å; C579-E583 PolarHBondContact O-N 3.05Å
580	F	92.4	Very high	87	Confident	125 Å²	125	98.4 Å²	98.4	55%	0.548	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-42.4	177.6	-178.5	-109.5	0	0	0	112.6	S576 S577 F578 L582 E583 I584	S576-F580 WeakPolarHBondContact O-CB 3.45Å; S576-F580 PolarHBondContact O-N 2.99Å; S577-F580 PolarHBondContact O-N 3.33Å; F578-F580 VanDerWaalsContact C-N 3.32Å; F578-F580 PolarHBondContact O-N 3.39Å; F580-L582 PolarHBondContact O-N 2.96Å; F580-E583 PolarHBondContact O-N 3.45Å; F580-I584 HydrophobicContact CD1-CD1 3.85Å; F580-I584 HydrophobicContact CE1-CD1 3.33Å; F580-I584 HydrophobicContact CE1-CG1 4.4Å; F580-I584 HydrophobicContact CE2-CD1 4.24Å; F580-I584 HydrophobicContact CZ-CD1 3.57Å; F580-I584 HydrophobicContact CZ-CG1 4.34Å; F580-I584 WeakPolarHBondContact O-CG1 3.22Å; F580-I584 PolarHBondContact O-N 3.4Å
581	I	92.4	Very high	85.3	Confident	92 Å²	92	97.6 Å²	97.6	47%	0.472	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-44.2	175.2	-69.3	165.3	0	0	0	110.7	S577 F578 C579 E583 I584 L585	S577-I581 VanDerWaalsContact O-CG1 3.27Å; S577-I581 WeakPolarHBondContact O-CG1 3.35Å; S577-I581 PolarHBondContact O-N 3.33Å; F578-I581 PolarHBondContact O-N 3.27Å; C579-I581 PolarHBondContact O-N 3.44Å; I581-E583 VanDerWaalsContact C-N 3.33Å; I581-E583 PolarHBondContact O-N 3.07Å; I581-I584 PolarHBondContact O-N 3.41Å; I581-L585 HydrophobicContact CG2-CD1 3.83Å; I581-L585 HydrophobicContact CG2-CG 4.33Å; I581-L585 VanDerWaalsContact O-CG 3.32Å; I581-L585 WeakPolarHBondContact O-CG 3.39Å; I581-L585 PolarHBondContact O-N 2.94Å
582	L	90.7	Very high	83.6	Confident	84 Å²	84	103.6 Å²	103.6	44%	0.44	53%	0.527	S	S	.	.	H	α-helix	trans	-61.6	-39.9	176.8	-72.5	178.6	0	0	0	112.4	F578 C579 F580 L585 R586	F578-L582 HydrophobicContact CD1-CD1 3.89Å; F578-L582 HydrophobicContact CD1-CG 4.44Å; F578-L582 HydrophobicContact CE1-CD1 3.41Å; F578-L582 VanDerWaalsContact CE1-CD1 3.41Å; F578-L582 HydrophobicContact CE1-CG 4.12Å; F578-L582 HydrophobicContact CZ-CD1 3.85Å; F578-L582 HydrophobicContact CZ-CD2 4.32Å; F578-L582 HydrophobicContact CZ-CG 4.18Å; F578-L582 WeakPolarHBondContact O-CG 3.19Å; F578-L582 PolarHBondContact O-N 3.35Å; C579-L582 PolarHBondContact O-N 3.2Å; F580-L582 PolarHBondContact O-N 2.96Å; L582-L585 PolarHBondContact O-N 3.36Å; L582-R586 VanDerWaalsContact O-CB 3.27Å; L582-R586 WeakPolarHBondContact O-CB 3.24Å; L582-R586 PolarHBondContact O-N 3.04Å
583	E	91.4	Very high	82	Confident	132 Å²	132	110 Å²	110	62%	0.617	54%	0.539	S	S	*	.	H	α-helix	trans	-62.3	-44.3	175.4	-75.2	-179.2	179.1	0	0	111.8	C579 F580 I581 R586 C587	C579-E583 WeakPolarHBondContact O-CG 3.34Å; C579-E583 PolarHBondContact O-N 3.05Å; F580-E583 PolarHBondContact O-N 3.45Å; I581-E583 VanDerWaalsContact C-N 3.33Å; I581-E583 PolarHBondContact O-N 3.07Å; E583-R586 PolarHBondContact O-N 2.94Å; E583-C587 VanDerWaalsContact O-CB 3.23Å; E583-C587 WeakPolarHBondContact O-CB 3.19Å; E583-C587 PolarHBondContact O-N 2.89Å
584	I	90.1	Very high	80	Confident	93 Å²	93	111.6 Å²	111.6	48%	0.477	55%	0.549	S	S	.	.	H	α-helix	trans	-62.4	-46.8	176.2	-70.5	174	0	0	0	111	F580 I581 R586 C587 G588	F580-I584 HydrophobicContact CD1-CD1 3.85Å; F580-I584 HydrophobicContact CE1-CD1 3.33Å; F580-I584 HydrophobicContact CE1-CG1 4.4Å; F580-I584 HydrophobicContact CE2-CD1 4.24Å; F580-I584 HydrophobicContact CZ-CD1 3.57Å; F580-I584 HydrophobicContact CZ-CG1 4.34Å; F580-I584 WeakPolarHBondContact O-CG1 3.22Å; F580-I584 PolarHBondContact O-N 3.4Å; I581-I584 PolarHBondContact O-N 3.41Å; I584-R586 PolarHBondContact O-N 3.46Å; I584-C587 PolarHBondContact O-N 3.14Å; I584-G588 PolarHBondContact O-N 3.47Å
585	L	86.7	Confident	78.1	Confident	103 Å²	103	113.9 Å²	113.9	54%	0.539	55%	0.554	S	S	.	*	H	α-helix	trans	-61.9	-44.1	180	-71.2	170.8	0	0	0	111.4	I581 L582 G588 E589	I581-L585 HydrophobicContact CG2-CD1 3.83Å; I581-L585 HydrophobicContact CG2-CG 4.33Å; I581-L585 VanDerWaalsContact O-CG 3.32Å; I581-L585 WeakPolarHBondContact O-CG 3.39Å; I581-L585 PolarHBondContact O-N 2.94Å; L582-L585 PolarHBondContact O-N 3.36Å; L585-G588 PolarHBondContact O-N 2.68Å; L585-E589 WeakPolarHBondContact O-CG 3.49Å; L585-E589 PolarHBondContact O-N 3.19Å
586	R	80.5	Confident	76.2	Confident	182 Å²	182	118.6 Å²	118.6	69%	0.687	56%	0.564	S	S	*	*	H	α-helix	trans	-68.7	-34.6	178.4	-161.6	174.8	-171.8	174.9	2.7	112.6	L582 E583 I584 R590	L582-R586 VanDerWaalsContact O-CB 3.27Å; L582-R586 WeakPolarHBondContact O-CB 3.24Å; L582-R586 PolarHBondContact O-N 3.04Å; E583-R586 PolarHBondContact O-N 2.94Å; I584-R586 PolarHBondContact O-N 3.46Å; R586-R590 PolarHBondContact O-N 3.44Å; R586-R590 VanDerWaalsContact O-N 3.12Å
587	C	68.8	Low	74.3	Confident	74 Å²	74	120.5 Å²	120.5	50%	0.5	58%	0.576	S	S	.	*	H	α-helix	trans	-68.1	-43.2	172.4	-167.6	0	0	0	0	111.2	E583 I584 E589 R590 C591	E583-C587 VanDerWaalsContact O-CB 3.23Å; E583-C587 WeakPolarHBondContact O-CB 3.19Å; E583-C587 PolarHBondContact O-N 2.89Å; I584-C587 PolarHBondContact O-N 3.14Å; C587-E589 VanDerWaalsContact C-N 3.33Å; C587-E589 PolarHBondContact O-N 3.32Å; C587-R590 PolarHBondContact O-N 3.42Å; C587-R590 VanDerWaalsContact O-N 3.17Å; C587-C591 WeakPolarHBondContact O-CB 3.44Å; C587-C591 PolarHBondContact O-N 3.2Å
588	G	70.2	Confident	72.2	Confident	35 Å²	35	128.4 Å²	128.4	36%	0.361	60%	0.596	S	S	.	*	H	α-helix	trans	-60.1	-38.8	174.6	0	0	0	0	0	113.2	I584 L585 K592	I584-G588 PolarHBondContact O-N 3.47Å; L585-G588 PolarHBondContact O-N 2.68Å; G588-K592 WeakPolarHBondContact O-CB 3.27Å; G588-K592 WeakPolarHBondContact O-CG 3.35Å; G588-K592 PolarHBondContact O-N 3.11Å
589	E	67.8	Low	69.7	Low	122 Å²	122	136.2 Å²	136.2	57%	0.57	62%	0.623	S	S	*	*	H	α-helix	trans	-67.2	-40.3	172.8	-75.1	-177.2	173	0	0	113	L585 C587 K592 R593	L585-E589 WeakPolarHBondContact O-CG 3.49Å; L585-E589 PolarHBondContact O-N 3.19Å; C587-E589 VanDerWaalsContact C-N 3.33Å; C587-E589 PolarHBondContact O-N 3.32Å; E589-K592 PolarHBondContact O-N 3.41Å; E589-R593 WeakPolarHBondContact O-CG 3.32Å; E589-R593 PolarHBondContact O-N 3.14Å
590	R	60.4	Low	68.6	Low	178 Å²	178	140.1 Å²	140.1	67%	0.672	63%	0.633	S	S	*	*	H	α-helix	trans	-65.9	-41.9	173.9	-93.3	-177.2	177.6	174.8	-0.3	112.2	R586 C587 R593 L594	R586-R590 PolarHBondContact O-N 3.44Å; R586-R590 VanDerWaalsContact O-N 3.12Å; C587-R590 PolarHBondContact O-N 3.42Å; C587-R590 VanDerWaalsContact O-N 3.17Å; R590-R593 PolarHBondContact O-N 3.14Å; R590-L594 WeakPolarHBondContact O-CB 3.33Å; R590-L594 PolarHBondContact O-N 3.18Å
591	C	58.5	Low	67.4	Low	66 Å²	66	140.8 Å²	140.8	45%	0.446	64%	0.638	S	S	.	*	H	α-helix	trans	-65.4	-39.8	175	-77.7	0	0	0	0	111.9	C587 L594 W595	C587-C591 WeakPolarHBondContact O-CB 3.44Å; C587-C591 PolarHBondContact O-N 3.2Å; C591-L594 PolarHBondContact O-N 3.15Å; C591-W595 WeakPolarHBondContact O-CB 3.49Å; C591-W595 PolarHBondContact O-N 3.48Å
592	K	60.3	Low	66	Low	158 Å²	158	143.6 Å²	143.6	69%	0.687	65%	0.647	S	S	*	*	H	α-helix	trans	-64.2	-36.9	172.4	-80.7	178.8	178.1	176.4	0	112.8	G588 E589 R596	G588-K592 WeakPolarHBondContact O-CB 3.27Å; G588-K592 WeakPolarHBondContact O-CG 3.35Å; G588-K592 PolarHBondContact O-N 3.11Å; E589-K592 PolarHBondContact O-N 3.41Å; K592-R596 PolarHBondContact O-N 2.89Å; K592-R596 VanDerWaalsContact O-N 3.14Å
593	R	57.7	Low	64.6	Low	189 Å²	189	147.1 Å²	147.1	71%	0.713	66%	0.659	S	S	*	*	H	α-helix	trans	-68.3	-41.9	173.4	-77.6	-177.7	-173.8	-174.8	3.5	112.4	E589 R590 R596 C597	E589-R593 WeakPolarHBondContact O-CG 3.32Å; E589-R593 PolarHBondContact O-N 3.14Å; R590-R593 PolarHBondContact O-N 3.14Å; R593-R596 PolarHBondContact O-N 2.95Å; R593-C597 PolarHBondContact O-N 3.43Å
594	L	54.6	Low	62.9	Low	123 Å²	123	148 Å²	148	64%	0.644	66%	0.662	S	S	*	*	H	α-helix	trans	-66	-35	175.8	-83.6	157.3	0	0	0	112.9	R590 C591 C597	R590-L594 WeakPolarHBondContact O-CB 3.33Å; R590-L594 PolarHBondContact O-N 3.18Å; C591-L594 PolarHBondContact O-N 3.15Å; L594-C597 PolarHBondContact O-N 3.3Å
595	W	53.7	Low	61.1	Low	200 Å²	200	151.7 Å²	151.7	76%	0.758	67%	0.674	S	S	*	*	H	α-helix	trans	-72.2	-30.1	174.1	-90.3	67.6	0	0	0	113.4	C591	C591-W595 WeakPolarHBondContact O-CB 3.49Å; C591-W595 PolarHBondContact O-N 3.48Å
596	R	53.9	Low	59.2	Low	213 Å²	213	155.1 Å²	155.1	80%	0.804	68%	0.684	S	S	*	*	H	α-helix	trans	-74.7	-21.2	172.7	-79.8	-172.4	-166	-171.6	3.5	114.2	K592 R593 R598	K592-R596 PolarHBondContact O-N 2.89Å; K592-R596 VanDerWaalsContact O-N 3.14Å; R593-R596 PolarHBondContact O-N 2.95Å; R596-R598 VanDerWaalsContact C-N 3.29Å
597	C	53.6	Low	57.6	Low	116 Å²	116	153.1 Å²	153.1	78%	0.784	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	5.5	175.9	-69.8	0	0	0	0	113.8	R593 L594	R593-C597 PolarHBondContact O-N 3.43Å; L594-C597 PolarHBondContact O-N 3.3Å
598	R	48	Very low	56.7	Low	225 Å²	225	159.7 Å²	159.7	85%	0.849	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	21.8	-174.8	-138.7	178.1	172.6	-170	-3.9	113.8	R596	R596-R598 VanDerWaalsContact C-N 3.29Å
599	W	41.3	Very low	55.4	Low	291 Å²	291	171 Å²	171	100%	1.102	73%	0.73	S	S	*	*			trans	-125.8	0	168.7	-84.4	81.6	0	0	0	110

Retrieved 599 of 599 residues in 478.7 ms (Link to these results)

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