A0A087XI24_POEFO Loading...

Polypeptide N-acetylgalactosaminyltransferase

Catalyzes the initial reaction in O-linked oligosaccharide biosynthesis, the transfer of an N-acetyl-D-galactosamine residue to a serine or threonine residue on the protein receptor.

AlphaFold DB , UniProt , Accession A0A087XI24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 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	47.3	Very low	58.4	Low	193 Å²	193	132 Å²	132	95%	0.951	64%	0.641	S	S	*	*				0	-32.8	0	-85.8	-174.6	-91.3	0	0	115.8
2	R	43.8	Very low	59.8	Low	232 Å²	232	131.2 Å²	131.2	88%	0.875	64%	0.641	S	S	*	*	H	α-helix	trans	-71.5	-37.8	-179.6	-77.8	-178.7	175.7	178.5	-2	115.3	I4 R5 A6	R2-I4 PolarHBondContact O-N 2.93Å; R2-R5 PolarHBondContact O-N 3.32Å; R2-A6 PolarHBondContact O-N 3.02Å
3	R	42.6	Very low	61.3	Low	221 Å²	221	126.6 Å²	126.6	83%	0.834	63%	0.626	S	S	*	*	H	α-helix	trans	-67.1	-32.5	178.3	-84	-177.7	173.5	176.1	-2.4	114.2	A6 N7	R3-A6 PolarHBondContact O-N 3.1Å; R3-N7 PolarHBondContact O-N 3.2Å
4	I	53.8	Low	63	Low	129 Å²	129	123.5 Å²	123.5	66%	0.662	62%	0.617	S	S	*	*	H	α-helix	trans	-70.4	-36	179.6	-59.6	172.2	0	0	0	110.9	R2 A8	R2-I4 PolarHBondContact O-N 2.93Å; I4-A8 PolarHBondContact O-N 2.85Å; I4-A8 VanDerWaalsContact O-N 3.15Å
5	R	52.2	Low	64.1	Low	184 Å²	184	119.2 Å²	119.2	69%	0.694	61%	0.608	S	S	*	*	H	α-helix	trans	-69.6	-35.9	176.8	-71	-175.6	176	178.2	-1.2	112.8	R2 I9	R2-R5 PolarHBondContact O-N 3.32Å; R5-I9 WeakPolarHBondContact O-CD1 3.28Å; R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.41Å; R5-I9 PolarHBondContact O-N 3.43Å
6	A	57.4	Low	64.8	Low	57 Å²	57	123.5 Å²	123.5	47%	0.471	62%	0.615	S	S	.	*	H	α-helix	trans	-67.3	-41.2	176.6	0	0	0	0	0	112.1	R2 R3 I9 A10	R2-A6 PolarHBondContact O-N 3.02Å; R3-A6 PolarHBondContact O-N 3.1Å; A6-I9 PolarHBondContact O-N 2.9Å; A6-A10 PolarHBondContact O-N 3.04Å
7	N	57.6	Low	65.9	Low	107 Å²	107	121.5 Å²	121.5	57%	0.572	61%	0.605	S	S	*	*	H	α-helix	trans	-68.6	-35.9	178.2	-68.8	-1	0	0	0	112.2	R3 A10 I11	R3-N7 PolarHBondContact O-N 3.2Å; N7-A10 PolarHBondContact O-N 3.38Å; N7-I11 WeakPolarHBondContact O-CD1 3.47Å; N7-I11 VanDerWaalsContact O-CG1 3.26Å; N7-I11 WeakPolarHBondContact O-CG1 3.43Å; N7-I11 PolarHBondContact O-N 2.89Å
8	A	62.5	Low	66.7	Low	48 Å²	48	121.1 Å²	121.1	40%	0.397	61%	0.605	S	S	.	*	H	α-helix	trans	-65.8	-39.3	175.6	0	0	0	0	0	112.4	I4 I11 L12	I4-A8 PolarHBondContact O-N 2.85Å; I4-A8 VanDerWaalsContact O-N 3.15Å; A8-I11 PolarHBondContact O-N 2.81Å; A8-L12 WeakPolarHBondContact O-CB 3.43Å; A8-L12 VanDerWaalsContact O-CG 3.31Å; A8-L12 WeakPolarHBondContact O-CG 3.47Å; A8-L12 PolarHBondContact O-N 3.32Å
9	I	71.5	Confident	67	Low	112 Å²	112	116.8 Å²	116.8	57%	0.574	60%	0.595	S	S	*	*	H	α-helix	trans	-67	-41.6	176.6	-67.2	166.8	0	0	0	110.5	R5 A6 I11 L12 T13	R5-I9 WeakPolarHBondContact O-CD1 3.28Å; R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.41Å; R5-I9 PolarHBondContact O-N 3.43Å; A6-I9 PolarHBondContact O-N 2.9Å; I9-I11 PolarHBondContact O-N 3.16Å; I9-L12 PolarHBondContact O-N 3.4Å; I9-T13 PolarHBondContact O-N 3.25Å; I9-T13 PolarHBondContact O-OG1 3.3Å
10	A	73.2	Confident	67.2	Low	50 Å²	50	113.8 Å²	113.8	41%	0.413	58%	0.583	S	S	.	*	H	α-helix	trans	-64.3	-38.7	177.6	0	0	0	0	0	112.9	A6 N7 T13 V14	A6-A10 PolarHBondContact O-N 3.04Å; N7-A10 PolarHBondContact O-N 3.38Å; A10-T13 WeakPolarHBondContact CA-OG1 3.3Å; A10-T13 PolarHBondContact O-OG1 3.02Å; A10-V14 VanDerWaalsContact O-CG2 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.25Å; A10-V14 PolarHBondContact O-N 3.21Å; A10-V14 VanDerWaalsContact O-N 3.08Å
11	I	80.3	Confident	67.3	Low	119 Å²	119	115.4 Å²	115.4	61%	0.61	59%	0.586	S	S	*	*	H	α-helix	trans	-68.8	-41.1	177.1	-68	165.5	0	0	0	110.6	N7 A8 I9 V14 A15	N7-I11 WeakPolarHBondContact O-CD1 3.47Å; N7-I11 VanDerWaalsContact O-CG1 3.26Å; N7-I11 WeakPolarHBondContact O-CG1 3.43Å; N7-I11 PolarHBondContact O-N 2.89Å; A8-I11 PolarHBondContact O-N 2.81Å; I9-I11 PolarHBondContact O-N 3.16Å; I11-V14 PolarHBondContact O-N 3.36Å; I11-A15 WeakPolarHBondContact O-CB 3.38Å; I11-A15 PolarHBondContact O-N 2.99Å
12	L	75.2	Confident	68.5	Low	122 Å²	122	112.7 Å²	112.7	64%	0.639	57%	0.566	S	S	*	*	H	α-helix	trans	-67.5	-36.8	178.5	-73.8	168.3	0	0	0	112.4	A8 I9 W16	A8-L12 WeakPolarHBondContact O-CB 3.43Å; A8-L12 VanDerWaalsContact O-CG 3.31Å; A8-L12 WeakPolarHBondContact O-CG 3.47Å; A8-L12 PolarHBondContact O-N 3.32Å; I9-L12 PolarHBondContact O-N 3.4Å; L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 3.28Å
13	T	78.9	Confident	69.4	Low	72 Å²	72	109.3 Å²	109.3	44%	0.442	55%	0.554	S	S	.	*	H	α-helix	trans	-69.7	-39.7	174.8	43.1	0	0	0	0	112.3	I9 A10 W16 I17	I9-T13 PolarHBondContact O-N 3.25Å; I9-T13 PolarHBondContact O-OG1 3.3Å; A10-T13 WeakPolarHBondContact CA-OG1 3.3Å; A10-T13 PolarHBondContact O-OG1 3.02Å; T13-W16 PolarHBondContact O-N 3.11Å; T13-I17 VanDerWaalsContact O-CG1 3.24Å; T13-I17 WeakPolarHBondContact O-CG1 3.41Å; T13-I17 PolarHBondContact O-N 2.89Å
14	V	85.3	Confident	70.3	Confident	83 Å²	83	104 Å²	104	50%	0.503	54%	0.541	S	S	.	.	H	α-helix	trans	-65.1	-42.5	174.7	172.2	0	0	0	0	111.2	A10 I11 W16 I17 L18	A10-V14 VanDerWaalsContact O-CG2 3.27Å; A10-V14 WeakPolarHBondContact O-CG2 3.25Å; A10-V14 PolarHBondContact O-N 3.21Å; A10-V14 VanDerWaalsContact O-N 3.08Å; I11-V14 PolarHBondContact O-N 3.36Å; V14-W16 VanDerWaalsContact C-N 3.32Å; V14-W16 PolarHBondContact O-N 2.95Å; V14-I17 PolarHBondContact O-N 3.18Å; V14-L18 HydrophobicContact CG1-CD1 3.92Å; V14-L18 HydrophobicContact CG1-CG 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.44Å; V14-L18 WeakPolarHBondContact O-CG 3.04Å; V14-L18 PolarHBondContact O-N 3.35Å
15	A	79.9	Confident	70.4	Confident	59 Å²	59	104.6 Å²	104.6	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-63.2	-38.9	175.8	0	0	0	0	0	112.2	I11 G19	I11-A15 WeakPolarHBondContact O-CB 3.38Å; I11-A15 PolarHBondContact O-N 2.99Å; A15-G19 PolarHBondContact O-N 3.43Å
16	W	74.6	Confident	70.6	Confident	188 Å²	188	100.9 Å²	100.9	71%	0.712	53%	0.526	S	S	*	.	H	α-helix	trans	-64.2	-49.8	175.3	-168	78.5	0	0	0	111	L12 T13 V14 L18 G19 T20	L12-W16 WeakPolarHBondContact O-CB 3.49Å; L12-W16 PolarHBondContact O-N 3.28Å; T13-W16 PolarHBondContact O-N 3.11Å; V14-W16 VanDerWaalsContact C-N 3.32Å; V14-W16 PolarHBondContact O-N 2.95Å; W16-L18 PolarHBondContact O-N 3.26Å; W16-G19 PolarHBondContact O-N 3.24Å; W16-G19 VanDerWaalsContact O-N 3.11Å; W16-T20 PolarHBondContact O-N 3.47Å; W16-T20 PolarHBondContact O-OG1 3.27Å
17	I	83.8	Confident	70.2	Confident	89 Å²	89	104.6 Å²	104.6	46%	0.456	54%	0.538	S	S	.	.	H	α-helix	trans	-59.3	-44.1	179	-68.2	165.5	0	0	0	111.8	T13 V14 G19 T20 F21	T13-I17 VanDerWaalsContact O-CG1 3.24Å; T13-I17 WeakPolarHBondContact O-CG1 3.41Å; T13-I17 PolarHBondContact O-N 2.89Å; V14-I17 PolarHBondContact O-N 3.18Å; I17-G19 VanDerWaalsContact C-N 3.34Å; I17-T20 PolarHBondContact O-N 3.47Å; I17-F21 HydrophobicContact CG2-CD2 4.48Å; I17-F21 PolarHBondContact O-N 3.39Å
18	L	80.2	Confident	69.5	Low	115 Å²	115	103.3 Å²	103.3	60%	0.602	54%	0.538	S	S	*	.	H	α-helix	trans	-65.7	-37.2	177	-71	172.7	0	0	0	111.9	V14 W16 F21 Y22	V14-L18 HydrophobicContact CG1-CD1 3.92Å; V14-L18 HydrophobicContact CG1-CG 4.4Å; V14-L18 WeakPolarHBondContact O-CB 3.44Å; V14-L18 WeakPolarHBondContact O-CG 3.04Å; V14-L18 PolarHBondContact O-N 3.35Å; W16-L18 PolarHBondContact O-N 3.26Å; L18-F21 PolarHBondContact O-N 3.41Å; L18-Y22 WeakPolarHBondContact O-CB 3.49Å; L18-Y22 PolarHBondContact O-N 3.31Å
19	G	73.6	Confident	68.3	Low	40 Å²	40	107.3 Å²	107.3	41%	0.412	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-44.1	173.7	0	0	0	0	0	112.6	A15 W16 I17 Y22 Y23	A15-G19 PolarHBondContact O-N 3.43Å; W16-G19 PolarHBondContact O-N 3.24Å; W16-G19 VanDerWaalsContact O-N 3.11Å; I17-G19 VanDerWaalsContact C-N 3.34Å; G19-Y22 PolarHBondContact O-N 3.01Å; G19-Y23 WeakPolarHBondContact O-CB 3.36Å; G19-Y23 PolarHBondContact O-N 2.98Å
20	T	70.3	Confident	66.6	Low	56 Å²	56	107.9 Å²	107.9	34%	0.344	56%	0.557	S	S	.	*	H	α-helix	trans	-66.1	-39.8	176.8	-14.6	0	0	0	0	111.5	W16 I17 Y23 L24	W16-T20 PolarHBondContact O-N 3.47Å; W16-T20 PolarHBondContact O-OG1 3.27Å; I17-T20 PolarHBondContact O-N 3.47Å; T20-Y23 PolarHBondContact O-N 3.45Å; T20-L24 WeakPolarHBondContact O-CB 3Å; T20-L24 VanDerWaalsContact O-CG 3.27Å; T20-L24 WeakPolarHBondContact O-CG 3.17Å; T20-L24 PolarHBondContact O-N 3.06Å
21	F	70.1	Confident	64.9	Low	148 Å²	148	110.3 Å²	110.3	65%	0.649	58%	0.577	S	S	*	*	H	α-helix	trans	-65.5	-41.3	176.1	-113	-84.1	0	0	0	112.5	I17 L18 Y23 L24 W25	I17-F21 HydrophobicContact CG2-CD2 4.48Å; I17-F21 PolarHBondContact O-N 3.39Å; L18-F21 PolarHBondContact O-N 3.41Å; F21-Y23 VanDerWaalsContact C-N 3.34Å; F21-L24 PolarHBondContact O-N 2.96Å; F21-W25 VanDerWaalsContact O-CB 3.3Å; F21-W25 WeakPolarHBondContact O-CB 3.3Å; F21-W25 PolarHBondContact O-N 3.22Å
22	Y	72.6	Confident	62.6	Low	135 Å²	135	110.1 Å²	110.1	53%	0.529	59%	0.586	S	S	.	*	H	α-helix	trans	-62.9	-42.1	175.3	-179.3	-97	0	0	0	111.8	L18 G19 W25 Q26	L18-Y22 WeakPolarHBondContact O-CB 3.49Å; L18-Y22 PolarHBondContact O-N 3.31Å; G19-Y22 PolarHBondContact O-N 3.01Å; Y22-W25 PolarHBondContact O-N 3.39Å; Y22-Q26 HydrophobicContact CE1-CG 4.32Å; Y22-Q26 PolarHBondContact O-N 2.77Å; Y22-Q26 PolarHBondContact OH-NE2 2.94Å; Y22-Q26 VanDerWaalsContact OH-NE2 3.16Å
23	Y	61.5	Low	60.6	Low	162 Å²	162	110.8 Å²	110.8	64%	0.635	60%	0.595	S	S	*	*	H	α-helix	trans	-64.7	-44.1	178.6	-153.4	-85.6	0	0	0	111.6	G19 T20 F21 W25 Q26 D27	G19-Y23 WeakPolarHBondContact O-CB 3.36Å; G19-Y23 PolarHBondContact O-N 2.98Å; T20-Y23 PolarHBondContact O-N 3.45Å; F21-Y23 VanDerWaalsContact C-N 3.34Å; Y23-W25 VanDerWaalsContact C-N 3.33Å; Y23-W25 PolarHBondContact O-N 2.92Å; Y23-Q26 PolarHBondContact O-N 2.04Å; Y23-D27 PolarHBondContact O-N 2.74Å
24	L	61.4	Low	58.3	Low	108 Å²	108	113.2 Å²	113.2	57%	0.565	61%	0.613	S	S	*	*	H	α-helix	trans	-68.5	-30.2	176.1	-69.3	168.9	0	0	0	112.8	T20 F21 S28	T20-L24 WeakPolarHBondContact O-CB 3Å; T20-L24 VanDerWaalsContact O-CG 3.27Å; T20-L24 WeakPolarHBondContact O-CG 3.17Å; T20-L24 PolarHBondContact O-N 3.06Å; F21-L24 PolarHBondContact O-N 2.96Å; L24-S28 PolarHBondContact O-N 2.84Å; L24-S28 PolarHBondContact O-OG 3.34Å
25	W	56.9	Low	55.6	Low	143 Å²	143	114.7 Å²	114.7	54%	0.542	63%	0.627	S	S	.	*	H	α-helix	trans	-73.7	-32.6	174.9	-175.7	71.6	0	0	0	113	F21 Y22 Y23 S28	F21-W25 VanDerWaalsContact O-CB 3.3Å; F21-W25 WeakPolarHBondContact O-CB 3.3Å; F21-W25 PolarHBondContact O-N 3.22Å; Y22-W25 PolarHBondContact O-N 3.39Å; Y23-W25 VanDerWaalsContact C-N 3.33Å; Y23-W25 PolarHBondContact O-N 2.92Å; W25-S28 WeakPolarHBondContact CA-OG 3.41Å; W25-S28 PolarHBondContact O-OG 2.99Å
26	Q	55.7	Low	53.3	Low	106 Å²	106	117.7 Å²	117.7	50%	0.495	64%	0.644	S	S	.	*	H	α-helix	trans	-67.1	-39	172.9	-96.2	-174.5	-18.2	0	0	112.2	Y22 Y23 S28	Y22-Q26 HydrophobicContact CE1-CG 4.32Å; Y22-Q26 PolarHBondContact O-N 2.77Å; Y22-Q26 PolarHBondContact OH-NE2 2.94Å; Y22-Q26 VanDerWaalsContact OH-NE2 3.16Å; Y23-Q26 PolarHBondContact O-N 2.04Å; Q26-S28 VanDerWaalsContact C-N 3.27Å; Q26-S28 PolarHBondContact O-N 3.36Å
27	D	49.6	Very low	51	Low	135 Å²	135	114.1 Å²	114.1	72%	0.722	65%	0.648	S	S	*	*	H	α-helix	trans	-73.4	-16.4	-179.8	-113	-4.3	0	0	0	113.7	Y23	Y23-D27 PolarHBondContact O-N 2.74Å
28	S	43.1	Very low	48.4	Very low	80 Å²	80	114.9 Å²	114.9	56%	0.559	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	8.1	-176.8	43	0	0	0	0	114.4	L24 W25 Q26 P30	L24-S28 PolarHBondContact O-N 2.84Å; L24-S28 PolarHBondContact O-OG 3.34Å; W25-S28 WeakPolarHBondContact CA-OG 3.41Å; W25-S28 PolarHBondContact O-OG 2.99Å; Q26-S28 VanDerWaalsContact C-N 3.27Å; Q26-S28 PolarHBondContact O-N 3.36Å; S28-P30 VanDerWaalsContact O-CD 3.28Å; S28-P30 WeakPolarHBondContact O-CD 3.24Å
29	K	36.4	Very low	45.9	Very low	131 Å²	131	114.7 Å²	114.7	57%	0.57	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-79.2	117.2	170.8	-74.5	-168.8	178.5	-177.4	0	110.6	A31	K29-A31 PolarHBondContact O-N 2.72Å
30	P	35.5	Very low	43.7	Very low	124 Å²	124	121.9 Å²	121.9	81%	0.805	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-66.3	131.9	173.2	25	-30.5	0	0	0	110.4	S28 S32	S28-P30 VanDerWaalsContact O-CD 3.28Å; S28-P30 WeakPolarHBondContact O-CD 3.24Å; P30-S32 PolarHBondContact O-N 3.15Å
31	A	38.1	Very low	41.6	Very low	101 Å²	101	123.2 Å²	123.2	84%	0.835	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-62.1	122.5	173.6	0	0	0	0	0	110.1	K29 T33	K29-A31 PolarHBondContact O-N 2.72Å; A31-T33 PolarHBondContact O-N 2.94Å
32	S	32.7	Very low	39.4	Very low	116 Å²	116	127.9 Å²	127.9	81%	0.811	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-67.5	120	172.1	52.7	0	0	0	0	110.3	P30	P30-S32 PolarHBondContact O-N 3.15Å
33	T	31.5	Very low	37.2	Very low	135 Å²	135	125 Å²	125	83%	0.828	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-64.4	132.6	172	-10.1	0	0	0	0	110.5	A31	A31-T33 PolarHBondContact O-N 2.94Å
34	P	32.2	Very low	35.6	Very low	124 Å²	124	129.5 Å²	129.5	81%	0.805	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-80.5	125.1	168.9	10.8	4.2	0	0	0	109.7
35	S	27.5	Very low	33.9	Very low	114 Å²	114	127.7 Å²	127.7	80%	0.797	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-71.1	142.2	171.2	46.6	0	0	0	0	111.4
36	S	31.6	Very low	32.6	Very low	121 Å²	121	130.5 Å²	130.5	85%	0.846	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-69.1	129.5	168.5	45.9	0	0	0	0	110.8
37	S	27.5	Very low	31.1	Very low	114 Å²	114	128.6 Å²	128.6	80%	0.797	79%	0.791	S	S	*	*			trans	-149.3	124.8	151	59.2	0	0	0	0	110.1
38	A	29.4	Very low	30.1	Very low	105 Å²	105	130.8 Å²	130.8	87%	0.868	80%	0.797	S	S	*	*			trans	-84.4	136.1	171	0	0	0	0	0	109.2
39	S	27.4	Very low	29.3	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	81%	0.812	S	S	*	*			trans	-163.5	110.6	147	46.5	0	0	0	0	111.9
40	Q	25.7	Very low	28.9	Very low	191 Å²	191	138.3 Å²	138.3	89%	0.893	83%	0.827	S	S	*	*				40.6	123.5	129.9	-73.9	-179.3	-2	0	0	121.5
41	A	26.2	Very low	28.6	Very low	85 Å²	85	139.2 Å²	139.2	70%	0.702	83%	0.83	S	S	*	*				107.5	124.3	118	0	0	0	0	0	120.2
42	R	25.9	Very low	28.4	Very low	245 Å²	245	140.3 Å²	140.3	93%	0.925	83%	0.828	S	S	*	*			trans	76	93.6	135.7	-74.5	177.4	172.2	-178	-1.7	119.8
43	G	26.3	Very low	28.2	Very low	75 Å²	75	138.4 Å²	138.4	77%	0.773	83%	0.827	S	S	*	*				32.5	128.3	114.2	0	0	0	0	0	121.9
44	R	26.9	Very low	27.9	Very low	256 Å²	256	143.1 Å²	143.1	97%	0.966	83%	0.83	S	S	*	*				172.3	137.8	119.8	-98.9	177	173.2	179.7	-1.9	108.9
45	G	26.5	Very low	27.5	Very low	71 Å²	71	145 Å²	145	73%	0.732	83%	0.833	S	S	*	*			trans	-98.7	168	178.7	0	0	0	0	0	114.1
46	H	28.6	Very low	27.4	Very low	201 Å²	201	147.2 Å²	147.2	93%	0.931	83%	0.83	S	S	*	*			trans	-177.5	136.1	139	-126.8	41.5	0	0	0	112.1
47	G	25.1	Very low	27.2	Very low	66 Å²	66	148.1 Å²	148.1	68%	0.68	82%	0.824	S	S	*	*				74.2	101.4	125.4	0	0	0	0	0	122.5
48	Q	27.5	Very low	27.1	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	82%	0.822	S	S	*	*			trans	48	123	132.7	-67.4	-178.1	-9.7	0	0	122.5
49	K	27.4	Very low	27.1	Very low	201 Å²	201	156.8 Å²	156.8	87%	0.874	82%	0.823	S	S	*	*				173.2	139.9	100.3	-97.8	-178.6	179.2	175.5	0	112.1
50	L	27.2	Very low	27.4	Very low	168 Å²	168	158.4 Å²	158.4	88%	0.88	82%	0.823	S	S	*	*			trans	-75.1	149.7	171.3	-83.8	97.4	0	0	0	112.4
51	V	29.4	Very low	27.8	Very low	142 Å²	142	156 Å²	156	86%	0.861	82%	0.817	S	S	*	*				175.9	149.7	125.8	152.7	0	0	0	0	108.7
52	P	33	Very low	28.2	Very low	124 Å²	124	163 Å²	163	81%	0.805	83%	0.825	S	S	*	*			trans	-109.2	166.4	-135	40	-32.9	0	0	0	115.3
53	G	30.3	Very low	28.7	Very low	77 Å²	77	156.6 Å²	156.6	79%	0.794	81%	0.814	S	S	*	*			trans	120.6	72.4	148	0	0	0	0	0	116.9
54	R	24.7	Very low	29.3	Very low	233 Å²	233	160 Å²	160	88%	0.879	81%	0.812	S	S	*	*			trans	-163.8	108	137.6	-144.6	169.7	-177.1	172.8	-1.1	108.5	E56	R54-E56 VanDerWaalsContact C-N 3.33Å; R54-E56 PolarHBondContact O-N 3.43Å
55	L	24.5	Very low	30	Very low	165 Å²	165	152.6 Å²	152.6	86%	0.864	80%	0.798	S	S	*	*			trans	-73.7	93.3	172	-134.7	113.6	0	0	0	106.6	I57	L55-I57 HydrophobicContact CD2-CG1 4.4Å; L55-I57 PolarHBondContact O-N 3.4Å
56	E	24.4	Very low	31.3	Very low	159 Å²	159	155 Å²	155	74%	0.743	79%	0.793	S	S	*	*			trans	-69.5	107.8	162	-77	-166.9	160.6	0	0	107.3	R54 H58	R54-E56 VanDerWaalsContact C-N 3.33Å; R54-E56 PolarHBondContact O-N 3.43Å; E56-H58 VanDerWaalsContact C-N 3.27Å; E56-H58 PolarHBondContact O-N 2.89Å
57	I	27.2	Very low	33.3	Very low	141 Å²	141	151 Å²	151	72%	0.723	78%	0.777	S	S	*	*			trans	-70.9	91.1	171.7	-59.2	172.8	0	0	0	106.3	L55 R59	L55-I57 HydrophobicContact CD2-CG1 4.4Å; L55-I57 PolarHBondContact O-N 3.4Å; I57-R59 PolarHBondContact O-N 3.16Å; I57-R59 VanDerWaalsContact O-N 3.1Å
58	H	26.3	Very low	35.7	Very low	162 Å²	162	150.6 Å²	150.6	75%	0.75	76%	0.762	S	S	*	*			trans	-59.1	112	155.8	-102.2	-74.7	0	0	0	106.8	E56 D60	E56-H58 VanDerWaalsContact C-N 3.27Å; E56-H58 PolarHBondContact O-N 2.89Å; H58-D60 PolarHBondContact O-N 2.71Å
59	R	29.6	Very low	37.8	Very low	238 Å²	238	142.5 Å²	142.5	90%	0.898	73%	0.725	S	S	*	*			trans	-64	87	164.5	-95.3	-179.9	164.7	174.9	-4.4	107	I57 D61	I57-R59 PolarHBondContact O-N 3.16Å; I57-R59 VanDerWaalsContact O-N 3.1Å; R59-D61 PolarHBondContact O-N 3Å
60	D	31.9	Very low	39.3	Very low	144 Å²	144	141.4 Å²	141.4	77%	0.77	72%	0.723	S	S	*	*			trans	-63.7	122.3	160.3	-97.7	-19.6	0	0	0	107.6	H58 R62	H58-D60 PolarHBondContact O-N 2.71Å; D60-R62 VanDerWaalsContact C-N 3.34Å; D60-R62 PolarHBondContact O-N 3.48Å
61	D	34.3	Very low	40.7	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	71%	0.706	S	S	*	*			trans	-56.5	94.4	171.8	-170	17.3	0	0	0	108.8	R59 T63	R59-D61 PolarHBondContact O-N 3Å; D61-T63 PolarHBondContact O-N 3.42Å
62	R	36.1	Very low	41.9	Very low	231 Å²	231	132 Å²	132	87%	0.872	67%	0.674	S	S	*	*			trans	-71.3	75.5	176.7	-75.4	-174.9	175.4	-177.7	-1.2	109.4	D60 I64	D60-R62 VanDerWaalsContact C-N 3.34Å; D60-R62 PolarHBondContact O-N 3.48Å; R62-I64 VanDerWaalsContact C-N 3.33Å; R62-I64 PolarHBondContact O-N 3.22Å
63	T	36.3	Very low	42.9	Very low	112 Å²	112	136.5 Å²	136.5	69%	0.687	68%	0.675	S	S	*	*			trans	-65.6	99.5	153.4	41.7	0	0	0	0	106.9	D61 P65	D61-T63 PolarHBondContact O-N 3.42Å; T63-P65 WeakPolarHBondContact O-CD 3.23Å; T63-P65 VanDerWaalsContact O-N 3.17Å
64	I	38.4	Very low	43.8	Very low	145 Å²	145	135.2 Å²	135.2	74%	0.744	66%	0.662	S	S	*	*			trans	-56.8	121.1	169.5	-61.5	171.9	0	0	0	105.9	R62 L66	R62-I64 VanDerWaalsContact C-N 3.33Å; R62-I64 PolarHBondContact O-N 3.22Å; I64-L66 PolarHBondContact O-N 3.24Å
65	P	41.3	Very low	45	Very low	102 Å²	102	132.5 Å²	132.5	66%	0.662	66%	0.659	S	S	*	*			trans	-56.9	128.9	-179.8	19.7	-29.2	0	0	0	108.9	T63 I67	T63-P65 WeakPolarHBondContact O-CD 3.23Å; T63-P65 VanDerWaalsContact O-N 3.17Å; P65-I67 PolarHBondContact O-N 3.47Å
66	L	54	Low	46.5	Very low	121 Å²	121	130 Å²	130	63%	0.634	64%	0.643	S	S	*	*			trans	-62.5	103.2	172	-99.4	98.4	0	0	0	107.6	I64 V68 R122	I64-L66 PolarHBondContact O-N 3.24Å; L66-V68 HydrophobicContact CB-CG2 4.34Å; L66-V68 PolarHBondContact O-N 2.87Å; L66-R122 HydrophobicContact CD2-CG 4.24Å
67	I	69.6	Low	47.9	Very low	116 Å²	116	125.2 Å²	125.2	60%	0.595	62%	0.621	S	S	*	*			trans	-71.3	114.4	167.7	-58.8	175.2	0	0	0	106	P65 D123	P65-I67 PolarHBondContact O-N 3.47Å; I67-D123 HydrophobicContact CB-CB 4.33Å; I67-D123 HydrophobicContact CG2-CB 4.07Å; I67-D123 WeakPolarHBondContact O-CB 3.46Å; I67-D123 PolarHBondContact O-N 3.24Å
68	V	75.8	Confident	49.4	Very low	59 Å²	59	122.9 Å²	122.9	36%	0.358	62%	0.617	S	S	.	*	B	Isolated β-bridge	trans	-107.9	145	177.2	-166.2	0	0	0	0	107.5	L66 Q70 A120 I121	L66-V68 HydrophobicContact CB-CG2 4.34Å; L66-V68 PolarHBondContact O-N 2.87Å; V68-Q70 PolarHBondContact O-N 2.85Å; V68-A120 HydrophobicContact CG1-CB 3.36Å; V68-I121 WeakPolarHBondContact CA-O 3.35Å; V68-I121 WeakPolarHBondContact CG1-O 3.2Å
69	T	72.4	Confident	51.2	Low	12 Å²	12	122.5 Å²	122.5	7%	0.074	62%	0.616	C	S	.	*	P	Polyproline II helix	trans	-55.3	122.7	171.4	60	0	0	0	0	109.1	I121 N233 A234	T69-I121 HydrophobicContact CG2-CD1 4.44Å; T69-I121 HydrophobicContact CG2-CG1 3.69Å; T69-I121 PolarHBondContact N-O 2.82Å; T69-I121 PolarHBondContact OG1-N 3.32Å; T69-I121 PolarHBondContact OG1-O 2.69Å; T69-N233 VanDerWaalsContact CG2-OD1 3.26Å; T69-N233 WeakPolarHBondContact CG2-OD1 3.31Å; T69-A234 HydrophobicContact CG2-CB 4.26Å
70	Q	59	Low	53.2	Low	178 Å²	178	113 Å²	113	83%	0.832	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-75.1	133.6	177.9	-66	-174.3	0.6	0	0	109.9	V68	V68-Q70 PolarHBondContact O-N 2.85Å
71	P	55.8	Low	55.1	Low	82 Å²	82	107.6 Å²	107.6	53%	0.532	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-64.8	146.9	165.6	28.1	-31.5	0	0	0	109.2
72	P	54.9	Low	57.3	Low	30 Å²	30	103 Å²	103	20%	0.195	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-64.3	158	175.9	25.4	-29.4	0	0	0	111.3	Q76 M164	P72-Q76 HydrophobicContact CB-CB 4.25Å; P72-M164 HydrophobicContact CG-CE 3.1Å; P72-M164 HydrophobicContact CG-SD 3.46Å; P72-M164 WeakPolarHBondContact CG-SD 3.26Å
73	R	54.5	Low	59.5	Low	219 Å²	219	95.3 Å²	95.3	83%	0.826	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-65.5	141.9	177.2	-65.8	-179	-179.5	179.5	0.3	109.7	E75 Q76	R73-E75 PolarHBondContact O-N 3.06Å; R73-Q76 PolarHBondContact O-N 2.94Å
74	G	48.4	Very low	62.2	Low	49 Å²	49	90.7 Å²	90.7	51%	0.505	50%	0.502	S	S	.	.	H	α-helix	trans	-52	-27	-167.5	0	0	0	0	0	117.2	Q77	G74-Q77 VanDerWaalsContact O-CB 3.25Å; G74-Q77 WeakPolarHBondContact O-CB 3.14Å; G74-Q77 PolarHBondContact O-N 3.37Å
75	E	50.4	Low	64.8	Low	176 Å²	176	87.8 Å²	87.8	82%	0.822	49%	0.488	S	S	*	.	H	α-helix	trans	-69	-32.8	175.9	-69.4	-179.6	167.3	0	0	113.5	R73 Q77	R73-E75 PolarHBondContact O-N 3.06Å; E75-Q77 PolarHBondContact O-N 2.65Å
76	Q	55.4	Low	67.3	Low	112 Å²	112	84.9 Å²	84.9	52%	0.523	47%	0.466	S	S	.	.	H	α-helix	trans	-71.7	-22.2	174.1	-80.5	175.4	-27.2	0	0	112.1	P72 R73 Q79 L80	P72-Q76 HydrophobicContact CB-CB 4.25Å; R73-Q76 PolarHBondContact O-N 2.94Å; Q76-Q79 PolarHBondContact O-N 3.46Å; Q76-L80 WeakPolarHBondContact O-CD1 3.34Å; Q76-L80 WeakPolarHBondContact O-CG 3.45Å; Q76-L80 PolarHBondContact O-N 3.35Å
77	Q	55.1	Low	69.2	Low	59 Å²	59	87.4 Å²	87.4	28%	0.276	47%	0.472	S	S	.	.	H	α-helix	trans	-73.4	-43.1	-171.7	-145.2	167	15.6	0	0	112.3	G74 E75 Q79 L80 L81 E118 M164	G74-Q77 VanDerWaalsContact O-CB 3.25Å; G74-Q77 WeakPolarHBondContact O-CB 3.14Å; G74-Q77 PolarHBondContact O-N 3.37Å; E75-Q77 PolarHBondContact O-N 2.65Å; Q77-Q79 VanDerWaalsContact C-N 3.29Å; Q77-Q79 PolarHBondContact O-N 2.98Å; Q77-L80 PolarHBondContact O-N 2.76Å; Q77-L81 PolarHBondContact O-N 2.92Å; Q77-E118 PolarHBondContact NE2-OE2 2.64Å; Q77-M164 HydrophobicContact CG-CE 4.49Å
78	S	58.4	Low	70.4	Confident	93 Å²	93	86 Å²	86	65%	0.65	47%	0.469	S	S	*	.	H	α-helix	trans	-64.4	-34	175.4	173.4	0	0	0	0	112.2	G82	S78-G82 PolarHBondContact O-N 3.39Å
79	Q	63.3	Low	71.4	Confident	154 Å²	154	83.3 Å²	83.3	72%	0.72	45%	0.452	S	S	*	.	H	α-helix	trans	-71.6	-29.4	176.5	-71.7	-179.4	-13.7	0	0	113.1	Q76 Q77	Q76-Q79 PolarHBondContact O-N 3.46Å; Q77-Q79 VanDerWaalsContact C-N 3.29Å; Q77-Q79 PolarHBondContact O-N 2.98Å
80	L	70.9	Confident	72.5	Confident	39 Å²	39	84.5 Å²	84.5	20%	0.204	46%	0.458	C	S	.	.	H	α-helix	trans	-80	-26.5	-175.4	-75.3	165	0	0	0	114	Q76 Q77 L163 M164 P194	Q76-L80 WeakPolarHBondContact O-CD1 3.34Å; Q76-L80 WeakPolarHBondContact O-CG 3.45Å; Q76-L80 PolarHBondContact O-N 3.35Å; Q77-L80 PolarHBondContact O-N 2.76Å; L80-L163 HydrophobicContact CD2-CB 4.42Å; L80-M164 HydrophobicContact CD1-SD 3.35Å; L80-M164 WeakPolarHBondContact CD1-SD 3.43Å; L80-P194 WeakPolarHBondContact O-CD 3.27Å
81	L	73.6	Confident	74.2	Confident	29 Å²	29	78.4 Å²	78.4	15%	0.152	44%	0.438	C	S	.	.	H	α-helix	trans	-101	-16.2	179.7	-70.3	170.7	0	0	0	113.7	Q77 G83 F84 K160 I193	Q77-L81 PolarHBondContact O-N 2.92Å; L81-G83 PolarHBondContact O-N 3.37Å; L81-F84 HydrophobicContact CD2-CD1 4.21Å; L81-F84 WeakPolarHBondContact O-CB 3.48Å; L81-F84 PolarHBondContact O-N 3.11Å; L81-F84 VanDerWaalsContact O-N 3.16Å; L81-K160 HydrophobicContact CD2-CD 3.95Å; L81-K160 HydrophobicContact CD2-CG 4.27Å; L81-I193 HydrophobicContact CD2-CD1 4.43Å; L81-I193 HydrophobicContact CD2-CG1 4.44Å
82	G	79.7	Confident	76	Confident	45 Å²	45	77.6 Å²	77.6	46%	0.464	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-126.8	-176	0	0	0	0	0	111.2	S78	S78-G82 PolarHBondContact O-N 3.39Å
83	G	81.5	Confident	77.8	Confident	69 Å²	69	80.7 Å²	80.7	71%	0.711	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	8.4	179.4	0	0	0	0	0	115.6	L81 D85	L81-G83 PolarHBondContact O-N 3.37Å; G83-D85 PolarHBondContact O-N 2.91Å
84	F	92.7	Very high	79.5	Confident	15 Å²	15	76.2 Å²	76.2	7%	0.066	44%	0.437	C	S	.	.			trans	-70.5	121.5	-175.2	177	-105.3	0	0	0	112.6	L81 E86 Y89 L156 L189 L190 Q192 I193	L81-F84 HydrophobicContact CD2-CD1 4.21Å; L81-F84 WeakPolarHBondContact O-CB 3.48Å; L81-F84 PolarHBondContact O-N 3.11Å; L81-F84 VanDerWaalsContact O-N 3.16Å; F84-E86 HydrophobicContact CD1-CB 4.15Å; F84-E86 HydrophobicContact CE1-CB 3.83Å; F84-E86 PolarHBondContact O-N 3.42Å; F84-Y89 HydrophobicContact CE2-CD2 4.13Å; F84-Y89 HydrophobicContact CE2-CG 4.02Å; F84-Y89 AromaticContact CZ-CD1 3.77Å; F84-Y89 HydrophobicContact CZ-CD1 3.77Å; F84-Y89 HydrophobicContact CZ-CD2 4.09Å; F84-Y89 HydrophobicContact CZ-CE1 4.43Å; F84-Y89 AromaticContact CZ-CG 3.56Å; F84-Y89 HydrophobicContact CZ-CG 3.56Å; F84-L156 HydrophobicContact CE1-CD1 3.64Å; F84-L156 HydrophobicContact CE1-CD2 3.99Å; F84-L156 HydrophobicContact CE1-CG 4.49Å; F84-L156 HydrophobicContact CZ-CD1 4.03Å; F84-L156 HydrophobicContact CZ-CD2 4.43Å; F84-L189 WeakPolarHBondContact CD2-O 3.26Å; F84-L189 HydrophobicContact CE2-CB 4.38Å; F84-L190 HydrophobicContact CE1-CD2 4.48Å; F84-L190 HydrophobicContact CE2-CD2 3.88Å; F84-L190 HydrophobicContact CZ-CD2 3.66Å; F84-Q192 HydrophobicContact CB-CB 4.26Å; F84-Q192 HydrophobicContact CD2-CB 4.42Å; F84-I193 HydrophobicContact CB-CG1 3.68Å; F84-I193 HydrophobicContact CD1-CD1 3.88Å; F84-I193 HydrophobicContact CD1-CG1 3.87Å; F84-I193 HydrophobicContact CD2-CD1 4.3Å; F84-I193 HydrophobicContact CD2-CG1 3.96Å; F84-I193 HydrophobicContact CE1-CD1 4.03Å; F84-I193 HydrophobicContact CE1-CG1 4.48Å; F84-I193 HydrophobicContact CE2-CD1 4.45Å; F84-I193 HydrophobicContact CG-CD1 4.01Å; F84-I193 HydrophobicContact CG-CG1 3.56Å; F84-I193 HydrophobicContact CZ-CD1 4.31Å
85	D	93.7	Very high	81.7	Confident	84 Å²	84	76 Å²	76	45%	0.449	42%	0.424	S	S	.	.			trans	-87.4	90.2	174.2	-174.2	-10.8	0	0	0	111.6	G83 K87 T88 Y89	G83-D85 PolarHBondContact O-N 2.91Å; D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 PolarHBondContact O-N 2.96Å; D85-K87 PolarHBondContact OD1-N 2.97Å; D85-K87 VanDerWaalsContact OD1-N 3.09Å; D85-T88 VanDerWaalsContact CG-CB 3.47Å; D85-T88 PolarHBondContact O-N 2.72Å; D85-T88 PolarHBondContact OD1-N 3.49Å; D85-T88 PolarHBondContact OD1-OG1 3.34Å; D85-T88 VanDerWaalsContact OD2-CB 3.27Å; D85-T88 WeakPolarHBondContact OD2-CB 3.37Å; D85-T88 PolarHBondContact OD2-OG1 3.09Å; D85-Y89 WeakPolarHBondContact O-CB 3.34Å; D85-Y89 PolarHBondContact O-N 3.13Å
86	E	94	Very high	83.7	Confident	42 Å²	42	74.8 Å²	74.8	20%	0.196	42%	0.416	C	S	.	.	H	α-helix	trans	-58.8	-39.5	177.6	171	167	166.4	0	0	113.3	F84 Y89 L90 S117 L156 K160	F84-E86 HydrophobicContact CD1-CB 4.15Å; F84-E86 HydrophobicContact CE1-CB 3.83Å; F84-E86 PolarHBondContact O-N 3.42Å; E86-Y89 PolarHBondContact O-N 3.37Å; E86-L90 HydrophobicContact CG-CD1 3.87Å; E86-L90 HydrophobicContact CG-CG 4.35Å; E86-L90 WeakPolarHBondContact O-CG 3.49Å; E86-L90 PolarHBondContact O-N 2.95Å; E86-S117 WeakPolarHBondContact OE1-CB 3.42Å; E86-S117 PolarHBondContact OE1-OG 2.72Å; E86-S117 PolarHBondContact OE2-OG 2.84Å; E86-S117 VanDerWaalsContact OE2-OG 3.1Å; E86-L156 HydrophobicContact CB-CD2 4.36Å; E86-L156 HydrophobicContact CG-CD2 3.61Å; E86-K160 IonicContact OE1-NZ 2.67Å; E86-K160 IonicContact OE2-NZ 3.97Å; E86-K160 PolarHBondContact OE2-NZ 3.48Å
87	K	93.4	Very high	85.5	Confident	173 Å²	173	76 Å²	76	75%	0.752	43%	0.434	S	S	*	.	H	α-helix	trans	-66.1	-46.1	-175.6	-175.8	-177.8	177.7	-175.4	0	110	D85 A91	D85-K87 VanDerWaalsContact C-N 3.32Å; D85-K87 PolarHBondContact O-N 2.96Å; D85-K87 PolarHBondContact OD1-N 2.97Å; D85-K87 VanDerWaalsContact OD1-N 3.09Å; K87-A91 WeakPolarHBondContact O-CB 3.42Å; K87-A91 PolarHBondContact O-N 2.99Å
88	T	95.1	Very high	87.3	Confident	87 Å²	87	77.3 Å²	77.3	53%	0.534	46%	0.463	S	S	.	.	H	α-helix	trans	-65.6	-42	177	-63.7	0	0	0	0	111.2	D85 L90 A91 A92	D85-T88 VanDerWaalsContact CG-CB 3.47Å; D85-T88 PolarHBondContact O-N 2.72Å; D85-T88 PolarHBondContact OD1-N 3.49Å; D85-T88 PolarHBondContact OD1-OG1 3.34Å; D85-T88 VanDerWaalsContact OD2-CB 3.27Å; D85-T88 WeakPolarHBondContact OD2-CB 3.37Å; D85-T88 PolarHBondContact OD2-OG1 3.09Å; T88-L90 PolarHBondContact O-N 2.95Å; T88-A91 PolarHBondContact O-N 3.43Å; T88-A92 PolarHBondContact O-N 3.37Å
89	Y	96.3	Very high	89	Confident	3 Å²	3	76.8 Å²	76.8	1%	0.012	45%	0.453	C	S	.	.	H	α-helix	trans	-57.3	-48.5	177.4	179.2	-104	0	0	0	112.3	F84 D85 E86 R152 L156 D186 L189 L190	F84-Y89 HydrophobicContact CE2-CD2 4.13Å; F84-Y89 HydrophobicContact CE2-CG 4.02Å; F84-Y89 AromaticContact CZ-CD1 3.77Å; F84-Y89 HydrophobicContact CZ-CD1 3.77Å; F84-Y89 HydrophobicContact CZ-CD2 4.09Å; F84-Y89 HydrophobicContact CZ-CE1 4.43Å; F84-Y89 AromaticContact CZ-CG 3.56Å; F84-Y89 HydrophobicContact CZ-CG 3.56Å; D85-Y89 WeakPolarHBondContact O-CB 3.34Å; D85-Y89 PolarHBondContact O-N 3.13Å; E86-Y89 PolarHBondContact O-N 3.37Å; Y89-R152 HydrophobicContact CD1-CB 4.11Å; Y89-R152 HydrophobicContact CD1-CG 4.45Å; Y89-R152 HydrophobicContact CE1-CB 3.47Å; Y89-R152 VanDerWaalsContact CE1-CB 3.47Å; Y89-R152 HydrophobicContact CE1-CG 3.76Å; Y89-R152 HydrophobicContact CE2-CG 4.2Å; Y89-R152 WeakPolarHBondContact O-CD 3.47Å; Y89-R152 PolarHBondContact O-NH1 2.88Å; Y89-L156 HydrophobicContact CD1-CD2 4.26Å; Y89-L156 HydrophobicContact CE1-CB 4.18Å; Y89-D186 PolarHBondContact OH-O 2.93Å; Y89-L189 HydrophobicContact CD2-CB 3.89Å; Y89-L189 HydrophobicContact CD2-CD1 3.88Å; Y89-L189 HydrophobicContact CE2-CB 4.19Å; Y89-L189 HydrophobicContact CE2-CD1 4.48Å; Y89-L190 HydrophobicContact CE1-CD2 3.98Å; Y89-L190 HydrophobicContact CE2-CD2 4.22Å; Y89-L190 HydrophobicContact CE2-CG 4.07Å; Y89-L190 WeakPolarHBondContact OH-CD1 3.14Å
90	L	95.7	Very high	90.6	Very high	36 Å²	36	73.6 Å²	73.6	19%	0.188	44%	0.441	C	S	.	.	H	α-helix	trans	-72.6	-40.5	-179.6	-64.6	176.5	0	0	0	112.4	E86 T88 A92 K93 R152 L156	E86-L90 HydrophobicContact CG-CD1 3.87Å; E86-L90 HydrophobicContact CG-CG 4.35Å; E86-L90 WeakPolarHBondContact O-CG 3.49Å; E86-L90 PolarHBondContact O-N 2.95Å; T88-L90 PolarHBondContact O-N 2.95Å; L90-A92 PolarHBondContact O-N 3.28Å; L90-K93 PolarHBondContact O-N 3.28Å; L90-R152 HydrophobicContact CD2-CB 4.15Å; L90-L156 HydrophobicContact CD1-CD2 4.41Å; L90-L156 HydrophobicContact CD2-CD2 4.23Å; L90-L156 HydrophobicContact CG-CD2 4.34Å
91	A	94.4	Very high	91.8	Very high	51 Å²	51	73 Å²	73	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-59.9	-30.9	-178	0	0	0	0	0	113.3	K87 T88 K93	K87-A91 WeakPolarHBondContact O-CB 3.42Å; K87-A91 PolarHBondContact O-N 2.99Å; T88-A91 PolarHBondContact O-N 3.43Å; A91-K93 PolarHBondContact O-N 3.29Å
92	A	94.3	Very high	92.9	Very high	64 Å²	64	74.7 Å²	74.7	53%	0.529	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-13.5	-177.2	0	0	0	0	0	115	T88 L90 R152	T88-A92 PolarHBondContact O-N 3.37Å; L90-A92 PolarHBondContact O-N 3.28Å; A92-R152 VanDerWaalsContact CB-NH1 3.33Å
93	K	93.5	Very high	93.6	Very high	95 Å²	95	80.6 Å²	80.6	41%	0.413	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	25.3	-179.3	-64.4	-68.3	-174.6	179.5	0	113.6	L90 A91 R152 D183	L90-K93 PolarHBondContact O-N 3.28Å; A91-K93 PolarHBondContact O-N 3.29Å; K93-R152 HydrophobicContact CB-CG 4.33Å; K93-R152 HydrophobicContact CG-CG 4.1Å; K93-D183 WeakPolarHBondContact CE-OD2 3.32Å; K93-D183 IonicContact NZ-OD2 2.79Å; K93-D183 PolarHBondContact NZ-OD2 3.48Å
94	Q	90.4	Very high	94.2	Very high	126 Å²	126	83.1 Å²	83.1	59%	0.589	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-63.8	141.7	177.4	-74.1	-175.7	-3.3	0	0	111.7	K96	Q94-K96 PolarHBondContact O-N 3.21Å
95	L	93.3	Very high	94.3	Very high	45 Å²	45	83.2 Å²	83.2	24%	0.236	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-57.9	130.5	171.9	-172	72.8	0	0	0	110.2	D99 P101 L109 Q110	L95-D99 HydrophobicContact CD1-CB 3.67Å; L95-D99 HydrophobicContact CG-CB 4.15Å; L95-P101 HydrophobicContact CD2-CB 3.67Å; L95-L109 HydrophobicContact CB-CD2 4.25Å; L95-L109 HydrophobicContact CD1-CD2 4.37Å; L95-Q110 HydrophobicContact CD2-CB 4.02Å
96	K	92.8	Very high	94.4	Very high	149 Å²	149	79.5 Å²	79.5	65%	0.648	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-75.3	147.6	177.9	-58.4	175	-178.6	173.5	0	110.3	Q94 G98 D99	Q94-K96 PolarHBondContact O-N 3.21Å; K96-G98 PolarHBondContact O-N 3.1Å; K96-D99 WeakPolarHBondContact CB-OD2 3.4Å; K96-D99 PolarHBondContact O-N 3.39Å; K96-D99 VanDerWaalsContact O-N 3.11Å
97	P	92.3	Very high	94.6	Very high	138 Å²	138	77.5 Å²	77.5	90%	0.896	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	123.7	175.7	-25.7	34.5	0	0	0	111.8
98	G	92.9	Very high	94.8	Very high	87 Å²	87	70.1 Å²	70.1	90%	0.897	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.2	-9.9	179	0	0	0	0	0	115.7	K96	K96-G98 PolarHBondContact O-N 3.1Å
99	D	95.5	Very high	94.9	Very high	81 Å²	81	66.3 Å²	66.3	43%	0.433	36%	0.363	S	S	.	.	S	Bend	trans	-73.8	149	174.6	-75.1	-14.8	0	0	0	111.6	L95 K96 P101	L95-D99 HydrophobicContact CD1-CB 3.67Å; L95-D99 HydrophobicContact CG-CB 4.15Å; K96-D99 WeakPolarHBondContact CB-OD2 3.4Å; K96-D99 PolarHBondContact O-N 3.39Å; K96-D99 VanDerWaalsContact O-N 3.11Å; D99-P101 WeakPolarHBondContact O-CD 3.33Å
100	D	96.2	Very high	94.9	Very high	88 Å²	88	71.7 Å²	71.7	47%	0.471	39%	0.388	S	S	.	.			trans	-70.1	115.8	174.7	170.2	15	0	0	0	110.6	Y102 R103	D100-Y102 PolarHBondContact O-N 2.84Å; D100-Y102 VanDerWaalsContact O-N 3.13Å; D100-Y102 PolarHBondContact OD1-N 2.88Å; D100-R103 HydrophobicContact CB-CB 4.11Å; D100-R103 WeakPolarHBondContact O-CB 3.01Å; D100-R103 PolarHBondContact O-N 3.07Å
101	P	96.5	Very high	94.9	Very high	25 Å²	25	72 Å²	72	16%	0.162	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17	-176.6	25.9	-33.7	0	0	0	113.9	L95 D99 N108 L109 Q110	L95-P101 HydrophobicContact CD2-CB 3.67Å; D99-P101 WeakPolarHBondContact O-CD 3.33Å; P101-N108 WeakPolarHBondContact CB-OD1 3.43Å; P101-L109 WeakPolarHBondContact O-CB 3.37Å; P101-L109 PolarHBondContact O-N 2.9Å; P101-Q110 HydrophobicContact CB-CB 4.13Å
102	Y	96.6	Very high	95.1	Very high	66 Å²	66	69.6 Å²	69.6	26%	0.259	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-11.6	-178.8	-62.5	-91.3	0	0	0	113.5	D100 E104 A106 F107 N108 L261 D262 R366	D100-Y102 PolarHBondContact O-N 2.84Å; D100-Y102 VanDerWaalsContact O-N 3.13Å; D100-Y102 PolarHBondContact OD1-N 2.88Å; Y102-E104 PolarHBondContact O-N 3.15Å; Y102-A106 VanDerWaalsContact O-CA 3.27Å; Y102-A106 WeakPolarHBondContact O-CA 3.29Å; Y102-A106 PolarHBondContact O-N 2.83Å; Y102-F107 WeakPolarHBondContact CA-O 3.22Å; Y102-N108 HydrophobicContact CE1-CB 3.73Å; Y102-N108 HydrophobicContact CE2-CB 4.29Å; Y102-N108 PolarHBondContact OH-ND2 3.49Å; Y102-L261 HydrophobicContact CD1-CD1 4.36Å; Y102-L261 HydrophobicContact CE1-CD1 3.93Å; Y102-D262 PolarHBondContact OH-OD1 3.1Å; Y102-R366 PolarHBondContact O-NH2 3.02Å
103	R	94.5	Very high	95.1	Very high	168 Å²	168	68.9 Å²	68.9	63%	0.634	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-48.4	-166.6	-176.8	177.8	129.7	171.3	-3.3	112.7	D100 R366	D100-R103 HydrophobicContact CB-CB 4.11Å; D100-R103 WeakPolarHBondContact O-CB 3.01Å; D100-R103 PolarHBondContact O-N 3.07Å; R103-R366 PolarHBondContact O-NH2 2.96Å
104	E	93.2	Very high	95.2	Very high	122 Å²	122	72.5 Å²	72.5	57%	0.57	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-36.6	-172.3	-62.8	-169.8	169.6	0	0	113	Y102 P368	Y102-E104 PolarHBondContact O-N 3.15Å; E104-P368 WeakPolarHBondContact O-CB 3.43Å
105	H	95.4	Very high	95.3	Very high	18 Å²	18	68 Å²	68	8%	0.083	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-1.9	-170.6	-52.9	-67.6	0	0	0	114.8	F107 N149 A151 R364	H105-F107 HydrophobicContact CB-CD1 3.94Å; H105-F107 HydrophobicContact CB-CD2 4.26Å; H105-F107 HydrophobicContact CB-CE1 3.51Å; H105-F107 HydrophobicContact CB-CE2 3.85Å; H105-F107 HydrophobicContact CB-CG 4.31Å; H105-F107 HydrophobicContact CB-CZ 3.46Å; H105-F107 VanDerWaalsContact CB-CZ 3.46Å; H105-F107 VanDerWaalsContact O-CD1 3.29Å; H105-F107 WeakPolarHBondContact O-CD1 3.28Å; H105-F107 PolarHBondContact O-N 3.46Å; H105-N149 PolarHBondContact CE1-O 3.26Å; H105-N149 PolarHBondContact ND1-O 3.41Å; H105-A151 PolarHBondContact CE1-N 3.31Å; H105-R364 WeakPolarHBondContact O-CD 3.28Å; H105-R364 PolarHBondContact O-NH1 3.45Å
106	A	96.4	Very high	95.1	Very high	6 Å²	6	68.1 Å²	68.1	5%	0.05	36%	0.359	C	S	.	.	S	Bend	trans	59.6	24.3	-178.6	0	0	0	0	0	115	Y102 R364 R366 P368	Y102-A106 VanDerWaalsContact O-CA 3.27Å; Y102-A106 WeakPolarHBondContact O-CA 3.29Å; Y102-A106 PolarHBondContact O-N 2.83Å; A106-R364 HydrophobicContact CB-CB 4.42Å; A106-R366 HydrophobicContact CB-CG 3.5Å; A106-P368 HydrophobicContact CB-CB 4.28Å
107	F	97.5	Very high	95.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-145.8	167.3	166.8	59.1	-111.6	0	0	0	108	Y102 H105 L109 A151 T154 L261 F264 V362 R364	Y102-F107 WeakPolarHBondContact CA-O 3.22Å; H105-F107 HydrophobicContact CB-CD1 3.94Å; H105-F107 HydrophobicContact CB-CD2 4.26Å; H105-F107 HydrophobicContact CB-CE1 3.51Å; H105-F107 HydrophobicContact CB-CE2 3.85Å; H105-F107 HydrophobicContact CB-CG 4.31Å; H105-F107 HydrophobicContact CB-CZ 3.46Å; H105-F107 VanDerWaalsContact CB-CZ 3.46Å; H105-F107 VanDerWaalsContact O-CD1 3.29Å; H105-F107 WeakPolarHBondContact O-CD1 3.28Å; H105-F107 PolarHBondContact O-N 3.46Å; F107-L109 HydrophobicContact CE2-CD1 4.5Å; F107-L109 PolarHBondContact O-N 3.12Å; F107-A151 HydrophobicContact CE2-CB 4.11Å; F107-A151 HydrophobicContact CZ-CB 3.69Å; F107-T154 HydrophobicContact CE1-CG2 4.24Å; F107-T154 HydrophobicContact CE2-CG2 4.07Å; F107-T154 HydrophobicContact CZ-CG2 3.65Å; F107-L261 HydrophobicContact CB-CB 4.01Å; F107-F264 HydrophobicContact CB-CE2 4.42Å; F107-F264 HydrophobicContact CB-CZ 4.45Å; F107-F264 AromaticContact CD2-CE2 3.8Å; F107-F264 HydrophobicContact CD2-CE2 3.8Å; F107-F264 AromaticContact CD2-CZ 3.51Å; F107-F264 HydrophobicContact CD2-CZ 3.51Å; F107-F264 HydrophobicContact CE2-CE2 4.48Å; F107-F264 AromaticContact CE2-CZ 3.88Å; F107-F264 HydrophobicContact CE2-CZ 3.88Å; F107-F264 HydrophobicContact CG-CE2 4.37Å; F107-F264 HydrophobicContact CG-CZ 4.03Å; F107-V362 HydrophobicContact CB-CG1 3.93Å; F107-V362 HydrophobicContact CD1-CG1 3.95Å; F107-V362 HydrophobicContact CG-CG1 4.12Å; F107-R364 HydrophobicContact CD1-CG 4.41Å
108	N	97.4	Very high	95	Very high	17 Å²	17	57.4 Å²	57.4	9%	0.091	30%	0.3	C	S	.	.			trans	-71.8	95	-177.9	-167.1	-22.7	0	0	0	112.2	P101 Y102 Q110 E111 S112 L261 D262 F264	P101-N108 WeakPolarHBondContact CB-OD1 3.43Å; Y102-N108 HydrophobicContact CE1-CB 3.73Å; Y102-N108 HydrophobicContact CE2-CB 4.29Å; Y102-N108 PolarHBondContact OH-ND2 3.49Å; N108-Q110 VanDerWaalsContact C-N 3.29Å; N108-Q110 PolarHBondContact O-N 3.06Å; N108-Q110 WeakPolarHBondContact OD1-CB 2.93Å; N108-Q110 PolarHBondContact OD1-N 2.92Å; N108-E111 HydrophobicContact CB-CB 4.21Å; N108-E111 HydrophobicContact CB-CG 4.42Å; N108-E111 VanDerWaalsContact ND2-CG 3.33Å; N108-E111 WeakPolarHBondContact ND2-CG 3.3Å; N108-E111 PolarHBondContact O-N 3.36Å; N108-E111 PolarHBondContact OD1-N 3.26Å; N108-S112 PolarHBondContact O-N 3.24Å; N108-S112 VanDerWaalsContact O-N 3.16Å; N108-L261 WeakPolarHBondContact CB-O 3.42Å; N108-L261 PolarHBondContact N-O 3.27Å; N108-D262 VanDerWaalsContact CB-O 3.25Å; N108-D262 WeakPolarHBondContact CB-O 3.3Å; N108-D262 PolarHBondContact ND2-O 3.44Å; N108-F264 VanDerWaalsContact O-CE2 3.25Å; N108-F264 WeakPolarHBondContact O-CE2 3.35Å
109	L	97	Very high	94.9	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-40.2	179.3	179.3	60.1	0	0	0	112.2	L95 P101 F107 E111 S112 D113 A151	L95-L109 HydrophobicContact CB-CD2 4.25Å; L95-L109 HydrophobicContact CD1-CD2 4.37Å; P101-L109 WeakPolarHBondContact O-CB 3.37Å; P101-L109 PolarHBondContact O-N 2.9Å; F107-L109 HydrophobicContact CE2-CD1 4.5Å; F107-L109 PolarHBondContact O-N 3.12Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-E111 PolarHBondContact O-N 3.29Å; L109-S112 WeakPolarHBondContact O-CB 2.94Å; L109-S112 PolarHBondContact O-N 2.67Å; L109-S112 VanDerWaalsContact O-N 3.11Å; L109-D113 WeakPolarHBondContact CD1-OD1 3.25Å; L109-D113 WeakPolarHBondContact O-CB 3.43Å; L109-D113 PolarHBondContact O-N 2.76Å; L109-A151 HydrophobicContact CD1-CB 3.59Å
110	Q	96.6	Very high	94.8	Very high	115 Å²	115	54 Å²	54	54%	0.537	27%	0.266	S	S	.	.	H	α-helix	trans	-59.6	-43.7	-179	-173.8	177.8	33.8	0	0	112	L95 P101 N108 D113 R114	L95-Q110 HydrophobicContact CD2-CB 4.02Å; P101-Q110 HydrophobicContact CB-CB 4.13Å; N108-Q110 VanDerWaalsContact C-N 3.29Å; N108-Q110 PolarHBondContact O-N 3.06Å; N108-Q110 WeakPolarHBondContact OD1-CB 2.93Å; N108-Q110 PolarHBondContact OD1-N 2.92Å; Q110-D113 PolarHBondContact O-N 2.53Å; Q110-R114 WeakPolarHBondContact O-CB 3.35Å; Q110-R114 PolarHBondContact O-N 2.8Å
111	E	97	Very high	94.7	Very high	43 Å²	43	50.1 Å²	50.1	20%	0.201	25%	0.245	C	C	.	.	H	α-helix	trans	-69	-36.6	175.7	-72.9	-58.5	136.9	0	0	112.2	N108 L109 R114 L115 F264	N108-E111 HydrophobicContact CB-CB 4.21Å; N108-E111 HydrophobicContact CB-CG 4.42Å; N108-E111 VanDerWaalsContact ND2-CG 3.33Å; N108-E111 WeakPolarHBondContact ND2-CG 3.3Å; N108-E111 PolarHBondContact O-N 3.36Å; N108-E111 PolarHBondContact OD1-N 3.26Å; L109-E111 VanDerWaalsContact C-N 3.34Å; L109-E111 PolarHBondContact O-N 3.29Å; E111-R114 IonicContact OE1-NE 2.71Å; E111-R114 IonicContact OE2-CZ 3.9Å; E111-R114 IonicContact OE2-NE 3.46Å; E111-R114 PolarHBondContact OE2-NE 3.35Å; E111-R114 IonicContact OE2-NH2 2.66Å; E111-R114 PolarHBondContact OE2-NH2 3.47Å; E111-L115 WeakPolarHBondContact O-CD1 3.18Å; E111-L115 VanDerWaalsContact O-CG 3.24Å; E111-L115 WeakPolarHBondContact O-CG 3.41Å; E111-L115 PolarHBondContact O-N 3.23Å; E111-F264 HydrophobicContact CB-CD2 4.09Å
112	S	97.1	Very high	94.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-43.1	174.6	-175	0	0	0	0	112.7	N108 L109 L115 S153 R157 F264	N108-S112 PolarHBondContact O-N 3.24Å; N108-S112 VanDerWaalsContact O-N 3.16Å; L109-S112 WeakPolarHBondContact O-CB 2.94Å; L109-S112 PolarHBondContact O-N 2.67Å; L109-S112 VanDerWaalsContact O-N 3.11Å; S112-L115 PolarHBondContact O-N 3.3Å; S112-S153 WeakPolarHBondContact CB-OG 3.23Å; S112-S153 PolarHBondContact OG-OG 2.9Å; S112-R157 PolarHBondContact O-NH1 3.49Å; S112-R157 VanDerWaalsContact O-NH1 3.14Å; S112-R157 PolarHBondContact OG-NH1 2.8Å; S112-R157 PolarHBondContact OG-NH2 3.3Å; S112-F264 VanDerWaalsContact CB-CZ 3.47Å
113	D	95.7	Very high	94.5	Very high	49 Å²	49	53.9 Å²	53.9	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-74.2	-31.3	-176.9	-72.1	-4	0	0	0	112.1	L109 Q110 L115 S153	L109-D113 WeakPolarHBondContact CD1-OD1 3.25Å; L109-D113 WeakPolarHBondContact O-CB 3.43Å; L109-D113 PolarHBondContact O-N 2.76Å; Q110-D113 PolarHBondContact O-N 2.53Å; D113-L115 PolarHBondContact O-N 3.17Å; D113-S153 WeakPolarHBondContact OD1-CB 3.3Å; D113-S153 PolarHBondContact OD1-OG 3.24Å
114	R	94.9	Very high	94.6	Very high	171 Å²	171	46.5 Å²	46.5	65%	0.645	23%	0.231	S	C	*	.	H	α-helix	trans	-64.6	-27.3	173.5	-170.9	179.4	70.2	83.7	-0.4	112	Q110 E111	Q110-R114 WeakPolarHBondContact O-CB 3.35Å; Q110-R114 PolarHBondContact O-N 2.8Å; E111-R114 IonicContact OE1-NE 2.71Å; E111-R114 IonicContact OE2-CZ 3.9Å; E111-R114 IonicContact OE2-NE 3.46Å; E111-R114 PolarHBondContact OE2-NE 3.35Å; E111-R114 IonicContact OE2-NH2 2.66Å; E111-R114 PolarHBondContact OE2-NH2 3.47Å
115	L	92.9	Very high	94.7	Very high	33 Å²	33	42.4 Å²	42.4	17%	0.173	21%	0.211	C	C	.	.	S	Bend	trans	-84.2	128.6	-179	-68	165.8	0	0	0	111	E111 S112 D113 F264	E111-L115 WeakPolarHBondContact O-CD1 3.18Å; E111-L115 VanDerWaalsContact O-CG 3.24Å; E111-L115 WeakPolarHBondContact O-CG 3.41Å; E111-L115 PolarHBondContact O-N 3.23Å; S112-L115 PolarHBondContact O-N 3.3Å; D113-L115 PolarHBondContact O-N 3.17Å; L115-F264 HydrophobicContact CD1-CB 3.27Å; L115-F264 HydrophobicContact CD1-CD1 4.27Å; L115-F264 HydrophobicContact CD1-CG 3.92Å
116	G	89.6	Confident	94.7	Very high	47 Å²	47	44.6 Å²	44.6	49%	0.485	22%	0.221	S	C	.	.			trans	-57.6	143.8	171.3	0	0	0	0	0	111.9	E118 R119	G116-E118 PolarHBondContact O-N 2.71Å; G116-E118 VanDerWaalsContact O-N 3.09Å; G116-R119 WeakPolarHBondContact O-CB 3.3Å; G116-R119 PolarHBondContact O-N 3.39Å; G116-R119 VanDerWaalsContact O-N 3.12Å
117	S	90.9	Very high	94.6	Very high	7 Å²	7	52.1 Å²	52.1	5%	0.049	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.2	179	65.1	0	0	0	0	114	E86 K160	E86-S117 WeakPolarHBondContact OE1-CB 3.42Å; E86-S117 PolarHBondContact OE1-OG 2.72Å; E86-S117 PolarHBondContact OE2-OG 2.84Å; E86-S117 VanDerWaalsContact OE2-OG 3.1Å; S117-K160 VanDerWaalsContact OG-CD 3.29Å; S117-K160 WeakPolarHBondContact OG-CD 3.4Å; S117-K160 WeakPolarHBondContact OG-CE 3.29Å; S117-K160 PolarHBondContact OG-NZ 2.89Å
118	E	90.3	Very high	94.5	Very high	54 Å²	54	57 Å²	57	25%	0.252	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	15.5	179.8	-61.1	174.1	165.1	0	0	112.8	Q77 G116 A120 K160 M164	Q77-E118 PolarHBondContact NE2-OE2 2.64Å; G116-E118 PolarHBondContact O-N 2.71Å; G116-E118 VanDerWaalsContact O-N 3.09Å; E118-A120 PolarHBondContact O-N 2.89Å; E118-K160 HydrophobicContact CG-CD 4.43Å; E118-K160 WeakPolarHBondContact OE1-CE 3.49Å; E118-K160 IonicContact OE1-NZ 2.72Å; E118-K160 PolarHBondContact OE1-NZ 3.04Å; E118-M164 HydrophobicContact CG-CE 4.01Å
119	R	92.7	Very high	94.4	Very high	40 Å²	40	56.5 Å²	56.5	15%	0.151	27%	0.265	C	S	.	.			trans	-49.9	139.3	-175.6	70.8	-178.2	-168.9	150.3	-4.6	111.5	G116 I121 R165 E231 F264	G116-R119 WeakPolarHBondContact O-CB 3.3Å; G116-R119 PolarHBondContact O-N 3.39Å; G116-R119 VanDerWaalsContact O-N 3.12Å; R119-I121 HydrophobicContact CG-CG2 4.36Å; R119-R165 PolarHBondContact O-NH2 3.1Å; R119-E231 IonicContact CZ-OE1 3.85Å; R119-E231 VanDerWaalsContact CZ-OE1 3.27Å; R119-E231 IonicContact CZ-OE2 3.27Å; R119-E231 IonicContact NE-OE1 2.76Å; R119-E231 PolarHBondContact NE-OE1 2.89Å; R119-E231 VanDerWaalsContact NE-OE1 3.12Å; R119-E231 IonicContact NE-OE2 3.64Å; R119-E231 PolarHBondContact NE-OE2 2.63Å; R119-E231 VanDerWaalsContact NH2-CD 3.35Å; R119-E231 IonicContact NH2-OE1 3.86Å; R119-E231 PolarHBondContact NH2-OE1 2.77Å; R119-E231 IonicContact NH2-OE2 2.7Å; R119-E231 PolarHBondContact NH2-OE2 3.01Å; R119-F264 VanDerWaalsContact CZ-O 3.27Å; R119-F264 PolarHBondContact NH1-O 2.66Å; R119-F264 PolarHBondContact NH2-O 3.36Å
120	A	92.3	Very high	94.1	Very high	57 Å²	57	59.9 Å²	59.9	47%	0.471	30%	0.295	S	S	.	.			trans	-71.4	136.7	174	0	0	0	0	0	109.3	V68 E118	V68-A120 HydrophobicContact CG1-CB 3.36Å; E118-A120 PolarHBondContact O-N 2.89Å
121	I	95	Very high	93.8	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.031	30%	0.302	C	S	.	.			trans	-120.7	154	177	61.2	170.8	0	0	0	110.1	V68 T69 R119 E231 N233 Y266	V68-I121 WeakPolarHBondContact CA-O 3.35Å; V68-I121 WeakPolarHBondContact CG1-O 3.2Å; T69-I121 HydrophobicContact CG2-CD1 4.44Å; T69-I121 HydrophobicContact CG2-CG1 3.69Å; T69-I121 PolarHBondContact N-O 2.82Å; T69-I121 PolarHBondContact OG1-N 3.32Å; T69-I121 PolarHBondContact OG1-O 2.69Å; R119-I121 HydrophobicContact CG-CG2 4.36Å; I121-E231 WeakPolarHBondContact CG2-OE2 3.36Å; I121-N233 HydrophobicContact CD1-CB 4.35Å; I121-Y266 HydrophobicContact CB-CD2 4.11Å; I121-Y266 HydrophobicContact CB-CG 4.15Å; I121-Y266 HydrophobicContact CD1-CD2 3.87Å; I121-Y266 HydrophobicContact CD1-CE2 3.49Å; I121-Y266 VanDerWaalsContact CD1-CE2 3.49Å; I121-Y266 HydrophobicContact CG2-CD2 3.99Å; I121-Y266 HydrophobicContact CG2-CG 4.31Å
122	R	93.4	Very high	93.6	Very high	140 Å²	140	60.2 Å²	60.2	53%	0.528	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-64.1	136.9	177.8	-179	178.2	175.5	-179.9	1.4	110.3	L66 T124 N233	L66-R122 HydrophobicContact CD2-CG 4.24Å; R122-T124 HydrophobicContact CG-CG2 4.44Å; R122-T124 PolarHBondContact O-N 3.12Å; R122-N233 PolarHBondContact O-ND2 2.88Å
123	D	95.1	Very high	93.5	Very high	31 Å²	31	66.7 Å²	66.7	17%	0.166	35%	0.349	C	S	.	.			trans	-72	110.7	165.4	-170	-10.8	0	0	0	109	I67 R125	I67-D123 HydrophobicContact CB-CB 4.33Å; I67-D123 HydrophobicContact CG2-CB 4.07Å; I67-D123 WeakPolarHBondContact O-CB 3.46Å; I67-D123 PolarHBondContact O-N 3.24Å; D123-R125 VanDerWaalsContact OD1-CB 3.23Å; D123-R125 WeakPolarHBondContact OD1-CB 3.5Å; D123-R125 VanDerWaalsContact OD1-CG 3.24Å; D123-R125 WeakPolarHBondContact OD1-CG 3.11Å; D123-R125 IonicContact OD1-CZ 3.26Å; D123-R125 PolarHBondContact OD1-N 3.12Å; D123-R125 IonicContact OD1-NE 2.72Å; D123-R125 PolarHBondContact OD1-NE 3.37Å; D123-R125 IonicContact OD1-NH2 2.94Å; D123-R125 IonicContact OD2-CZ 3.68Å; D123-R125 IonicContact OD2-NE 3.63Å; D123-R125 PolarHBondContact OD2-NE 2.94Å; D123-R125 VanDerWaalsContact OD2-NE 3.16Å; D123-R125 IonicContact OD2-NH2 2.89Å; D123-R125 PolarHBondContact OD2-NH2 2.74Å
124	T	96.3	Very high	93.4	Very high	12 Å²	12	67.3 Å²	67.3	7%	0.074	35%	0.348	C	S	.	.			trans	-98.6	3	-177.2	52.6	0	0	0	0	112.5	R122 N233 D257 Y266 A268 R358	R122-T124 HydrophobicContact CG-CG2 4.44Å; R122-T124 PolarHBondContact O-N 3.12Å; T124-N233 PolarHBondContact OG1-ND2 3.1Å; T124-D257 VanDerWaalsContact CB-OD2 3.3Å; T124-D257 WeakPolarHBondContact CB-OD2 3.3Å; T124-D257 PolarHBondContact OG1-OD2 3.18Å; T124-Y266 HydrophobicContact CG2-CD1 3.97Å; T124-Y266 HydrophobicContact CG2-CE1 3.66Å; T124-A268 HydrophobicContact CG2-CB 3.62Å; T124-R358 VanDerWaalsContact O-CZ 3.25Å; T124-R358 PolarHBondContact O-NE 3.09Å; T124-R358 PolarHBondContact O-NH2 2.51Å
125	R	96.1	Very high	93.5	Very high	37 Å²	37	62.8 Å²	62.8	14%	0.14	34%	0.336	C	S	.	.	S	Bend	trans	-68.9	155.4	177.8	-60.5	175.1	-61.5	167.5	2.9	110.5	D123 C129 A234 D235 C356 R358	D123-R125 VanDerWaalsContact OD1-CB 3.23Å; D123-R125 WeakPolarHBondContact OD1-CB 3.5Å; D123-R125 VanDerWaalsContact OD1-CG 3.24Å; D123-R125 WeakPolarHBondContact OD1-CG 3.11Å; D123-R125 IonicContact OD1-CZ 3.26Å; D123-R125 PolarHBondContact OD1-N 3.12Å; D123-R125 IonicContact OD1-NE 2.72Å; D123-R125 PolarHBondContact OD1-NE 3.37Å; D123-R125 IonicContact OD1-NH2 2.94Å; D123-R125 IonicContact OD2-CZ 3.68Å; D123-R125 IonicContact OD2-NE 3.63Å; D123-R125 PolarHBondContact OD2-NE 2.94Å; D123-R125 VanDerWaalsContact OD2-NE 3.16Å; D123-R125 IonicContact OD2-NH2 2.89Å; D123-R125 PolarHBondContact OD2-NH2 2.74Å; R125-C129 HydrophobicContact CB-CB 4.03Å; R125-A234 VanDerWaalsContact CD-O 3.3Å; R125-A234 WeakPolarHBondContact CD-O 3.47Å; R125-A234 PolarHBondContact NE-O 3.05Å; R125-A234 PolarHBondContact NH1-O 3.03Å; R125-A234 VanDerWaalsContact NH1-O 3.15Å; R125-D235 IonicContact CZ-OD2 2.92Å; R125-D235 VanDerWaalsContact NH1-CB 3.31Å; R125-D235 IonicContact NH1-OD2 3.75Å; R125-D235 PolarHBondContact NH1-OD2 2.84Å; R125-D235 IonicContact NH2-OD2 3.62Å; R125-C356 WeakPolarHBondContact CD-O 3.47Å; R125-R358 HydrophobicContact CG-CB 4.4Å; R125-R358 HydrophobicContact CG-CG 3.72Å
126	H	95.1	Very high	93.4	Very high	64 Å²	64	66.5 Å²	66.5	30%	0.296	37%	0.372	S	S	.	.			trans	-67.7	142.1	169.9	-171.5	-89.5	0	0	0	109.5	R128 C129 P299	H126-R128 PolarHBondContact ND1-N 2.92Å; H126-R128 PolarHBondContact O-N 3.36Å; H126-C129 WeakPolarHBondContact O-CB 3.47Å; H126-C129 PolarHBondContact O-N 2.99Å; H126-C129 PolarHBondContact O-SG 3.07Å; H126-C129 VanDerWaalsContact O-SG 3.36Å; H126-P299 VanDerWaalsContact CE1-CG 3.41Å; H126-P299 WeakPolarHBondContact CE1-CG 3.26Å
127	Y	93.5	Very high	93.5	Very high	163 Å²	163	72.3 Å²	72.3	64%	0.639	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-56.3	-29.5	-174.6	69.7	-91.5	0	0	0	113.8	C129 A130	Y127-C129 PolarHBondContact O-N 3.36Å; Y127-A130 PolarHBondContact O-N 3.41Å
128	R	95.1	Very high	93.8	Very high	104 Å²	104	73.1 Å²	73.1	39%	0.392	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-66.3	-21	175.1	-67.5	-175.7	178.8	-172.8	-2.6	114.2	H126 A130 S131 T300	H126-R128 PolarHBondContact ND1-N 2.92Å; H126-R128 PolarHBondContact O-N 3.36Å; R128-A130 PolarHBondContact O-N 2.83Å; R128-S131 PolarHBondContact O-N 3.39Å; R128-S131 VanDerWaalsContact O-N 3.11Å; R128-T300 HydrophobicContact CB-CG2 3.61Å
129	C	95.8	Very high	94.2	Very high	5 Å²	5	72.4 Å²	72.4	3%	0.034	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-63.3	-31.5	178.3	-65.2	0	0	0	0	112.3	R125 H126 Y127 S131 L132 C356	R125-C129 HydrophobicContact CB-CB 4.03Å; H126-C129 WeakPolarHBondContact O-CB 3.47Å; H126-C129 PolarHBondContact O-N 2.99Å; H126-C129 PolarHBondContact O-SG 3.07Å; H126-C129 VanDerWaalsContact O-SG 3.36Å; Y127-C129 PolarHBondContact O-N 3.36Å; C129-S131 PolarHBondContact O-N 3.2Å; C129-L132 WeakPolarHBondContact O-CB 3.27Å; C129-L132 PolarHBondContact O-N 3.07Å; C129-C356 WeakPolarHBondContact CA-SG 3.29Å; C129-C356 HydrophobicContact CB-CB 3.62Å; C129-C356 WeakPolarHBondContact CB-SG 3.42Å; C129-C356 WeakPolarHBondContact SG-CA 3.22Å; C129-C356 WeakPolarHBondContact SG-CB 3.44Å; C129-C356 CovalentContact SG-SG 2.04Å; C129-C356 PolarHBondContact SG-SG 3.15Å
130	A	90.6	Very high	94.5	Very high	80 Å²	80	71.9 Å²	71.9	66%	0.661	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-68.4	-16.8	177.1	0	0	0	0	0	113.2	Y127 R128	Y127-A130 PolarHBondContact O-N 3.41Å; R128-A130 PolarHBondContact O-N 2.83Å
131	S	91.2	Very high	94.8	Very high	99 Å²	99	69.1 Å²	69.1	69%	0.692	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-93.9	-2.7	177.4	-52.2	0	0	0	0	113.2	R128 C129	R128-S131 PolarHBondContact O-N 3.39Å; R128-S131 VanDerWaalsContact O-N 3.11Å; C129-S131 PolarHBondContact O-N 3.2Å
132	L	92.9	Very high	95	Very high	65 Å²	65	68.9 Å²	68.9	34%	0.34	37%	0.369	S	S	.	.			trans	-76.1	135.6	176.3	-64.1	-179.3	0	0	0	110.2	C129 Y134 C356	C129-L132 WeakPolarHBondContact O-CB 3.27Å; C129-L132 PolarHBondContact O-N 3.07Å; L132-Y134 HydrophobicContact CB-CE2 4.47Å; L132-C356 HydrophobicContact CD1-CB 4.11Å; L132-C356 VanDerWaalsContact CD1-SG 3.51Å
133	T	93.6	Very high	95.2	Very high	137 Å²	137	62.2 Å²	62.2	84%	0.84	34%	0.343	S	S	*	.			trans	-108.2	132.5	172.7	53.6	0	0	0	0	109.1
134	Y	94.8	Very high	95.4	Very high	62 Å²	62	60.8 Å²	60.8	24%	0.243	34%	0.336	C	S	.	.			trans	-106.9	164.3	174.4	-52.4	-74.3	0	0	0	109.8	L132 A136 Q238 P239 Q242	L132-Y134 HydrophobicContact CB-CE2 4.47Å; Y134-A136 PolarHBondContact O-N 3.03Å; Y134-Q238 HydrophobicContact CD2-CB 3.61Å; Y134-Q238 HydrophobicContact CD2-CG 4.48Å; Y134-Q238 HydrophobicContact CE2-CB 3.96Å; Y134-Q238 HydrophobicContact CG-CB 3.91Å; Y134-P239 VanDerWaalsContact CE1-CA 3.46Å; Y134-P239 HydrophobicContact CE1-CB 3.71Å; Y134-P239 HydrophobicContact CE1-CG 4.28Å; Y134-P239 WeakPolarHBondContact OH-CB 3.37Å; Y134-P239 WeakPolarHBondContact OH-CG 3.24Å; Y134-Q242 HydrophobicContact CD1-CB 4.01Å; Y134-Q242 HydrophobicContact CD1-CG 4.18Å
135	D	96.1	Very high	95.5	Very high	75 Å²	75	60.2 Å²	60.2	40%	0.401	33%	0.332	S	S	.	.			trans	-56.6	140.5	176.2	-68.6	-9.2	0	0	0	111.1	E137 L138 K245	D135-E137 VanDerWaalsContact C-N 3.25Å; D135-E137 PolarHBondContact O-N 3.41Å; D135-L138 HydrophobicContact CB-CD2 4.02Å; D135-K245 WeakPolarHBondContact OD2-CE 3.39Å; D135-K245 IonicContact OD2-NZ 2.73Å; D135-K245 PolarHBondContact OD2-NZ 3.48Å
136	A	90.9	Very high	95.7	Very high	112 Å²	112	58.8 Å²	58.8	93%	0.926	33%	0.328	S	S	*	.	S	Bend	trans	-62.6	-35	178.9	0	0	0	0	0	112.3	Y134	Y134-A136 PolarHBondContact O-N 3.03Å
137	E	92.8	Very high	95.8	Very high	169 Å²	169	56.1 Å²	56.1	79%	0.79	32%	0.315	S	S	*	.	S	Bend	trans	-110.7	90.6	178.3	-64.8	-174.1	179.8	0	0	110.1	D135 K245	D135-E137 VanDerWaalsContact C-N 3.25Å; D135-E137 PolarHBondContact O-N 3.41Å; E137-K245 PolarHBondContact O-NZ 3.39Å
138	L	97.3	Very high	96	Very high	23 Å²	23	50.1 Å²	50.1	12%	0.12	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-93.4	140.3	168.7	-69.1	177.4	0	0	0	110.1	D135 L170 Q238 I241 Q242 K245	D135-L138 HydrophobicContact CB-CD2 4.02Å; L138-L170 HydrophobicContact CB-CD1 4.48Å; L138-L170 HydrophobicContact CB-CD2 3.6Å; L138-L170 HydrophobicContact CD1-CD1 4.26Å; L138-L170 VanDerWaalsContact O-CD2 3.3Å; L138-L170 WeakPolarHBondContact O-CD2 3.33Å; L138-Q238 HydrophobicContact CD1-CB 3.93Å; L138-Q238 HydrophobicContact CD1-CG 4.19Å; L138-I241 HydrophobicContact CB-CG2 3.9Å; L138-I241 HydrophobicContact CD1-CB 4.5Å; L138-I241 HydrophobicContact CD1-CG2 4.39Å; L138-I241 HydrophobicContact CD2-CG2 4.16Å; L138-I241 HydrophobicContact CG-CG2 4.37Å; L138-Q242 HydrophobicContact CD2-CB 4.31Å; L138-K245 HydrophobicContact CD2-CD 4Å
139	P	97.9	Very high	96.1	Very high	40 Å²	40	47.7 Å²	47.7	26%	0.26	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-64.3	144.4	174	27.2	-34.8	0	0	0	111.2	I222 I241	P139-I222 HydrophobicContact CB-CD1 4.24Å; P139-I222 HydrophobicContact CG-CD1 3.5Å; P139-I222 VanDerWaalsContact CG-CD1 3.5Å; P139-I222 HydrophobicContact CG-CG1 4.38Å; P139-I241 HydrophobicContact CG-CG2 3.9Å; P139-I241 WeakPolarHBondContact O-CG2 3.48Å
140	S	98.2	Very high	96.3	Very high	28 Å²	28	47.9 Å²	47.9	20%	0.196	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-69.1	156.5	174.2	60.5	0	0	0	0	112.2	L170	S140-L170 CarbonylContact C-O 3.51Å; S140-L170 VanDerWaalsContact CA-O 3.29Å; S140-L170 WeakPolarHBondContact CA-O 3.31Å
141	T	98.9	Very high	96.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.1	174.6	-176.2	0	0	0	0	112.4	I143 L170 Q172 I222 T224 L237 I241	T141-I143 HydrophobicContact CG2-CD1 4.42Å; T141-I143 HydrophobicContact CG2-CG1 3.94Å; T141-L170 PolarHBondContact N-O 2.89Å; T141-Q172 WeakPolarHBondContact O-CB 3.4Å; T141-Q172 PolarHBondContact O-N 3.22Å; T141-I222 CarbonylContact C-O 3.6Å; T141-I222 WeakPolarHBondContact CA-O 3.46Å; T141-I222 WeakPolarHBondContact CB-O 3.34Å; T141-I222 PolarHBondContact OG1-O 3.01Å; T141-T224 WeakPolarHBondContact CG2-OG1 3.39Å; T141-T224 WeakPolarHBondContact OG1-CB 3.27Å; T141-T224 PolarHBondContact OG1-N 2.95Å; T141-T224 PolarHBondContact OG1-OG1 2.96Å; T141-L237 HydrophobicContact CG2-CD1 4.12Å; T141-L237 HydrophobicContact CG2-CD2 4.04Å; T141-I241 HydrophobicContact CG2-CD1 4.02Å
142	S	98.9	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.4	161.5	-63.9	0	0	0	0	108.5	E173 S219 A220 I222 T224	S142-E173 WeakPolarHBondContact OG-CG 3.24Å; S142-E173 PolarHBondContact OG-OE1 3.5Å; S142-S219 PolarHBondContact OG-N 3.42Å; S142-A220 WeakPolarHBondContact OG-CB 3.48Å; S142-A220 PolarHBondContact OG-N 2.95Å; S142-I222 PolarHBondContact N-O 3.35Å; S142-T224 PolarHBondContact O-N 2.85Å
143	I	98.9	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.5	-178.6	-59.1	175.6	0	0	0	108.2	T141 I145 V162 I171 E173 I174 I175 T224 L226	T141-I143 HydrophobicContact CG2-CD1 4.42Å; T141-I143 HydrophobicContact CG2-CG1 3.94Å; I143-I145 HydrophobicContact CG2-CD1 4.39Å; I143-I145 HydrophobicContact CG2-CG1 4.29Å; I143-V162 HydrophobicContact CD1-CG1 3.22Å; I143-I171 HydrophobicContact CD1-CG1 4.23Å; I143-I171 HydrophobicContact CD1-CG2 4.35Å; I143-E173 PolarHBondContact N-O 3.28Å; I143-I174 HydrophobicContact CB-CG1 4.29Å; I143-I174 HydrophobicContact CD1-CG1 4.49Å; I143-I174 CarbonylContact O-C 3.46Å; I143-I174 WeakPolarHBondContact O-CA 3.49Å; I143-I175 PolarHBondContact O-N 2.94Å; I143-T224 CarbonylContact C-O 3.54Å; I143-T224 WeakPolarHBondContact CA-O 3.37Å; I143-T224 HydrophobicContact CG1-CG2 4.36Å; I143-L226 HydrophobicContact CG2-CD1 3.88Å; I143-L226 HydrophobicContact CG2-CG 4.48Å
144	I	98.9	Very high	97.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117	-175.1	-60.9	159.2	0	0	0	108.3	T146 I175 I177 A215 L223 T224 F225 L226	I144-T146 HydrophobicContact CG2-CG2 4.35Å; I144-I175 WeakPolarHBondContact CA-O 3.32Å; I144-I177 HydrophobicContact CG2-CG1 4.3Å; I144-A215 HydrophobicContact CD1-CB 4.23Å; I144-L223 HydrophobicContact CD1-CB 4.48Å; I144-L223 HydrophobicContact CD1-CD2 4.07Å; I144-T224 PolarHBondContact N-O 3.43Å; I144-F225 HydrophobicContact CB-CD1 3.88Å; I144-F225 HydrophobicContact CB-CE1 4.04Å; I144-F225 HydrophobicContact CD1-CD1 4.21Å; I144-F225 HydrophobicContact CD1-CE1 3.58Å; I144-F225 HydrophobicContact CD1-CZ 3.85Å; I144-F225 HydrophobicContact CG1-CE1 4.44Å; I144-F225 HydrophobicContact CG2-CD1 4.01Å; I144-F225 HydrophobicContact CG2-CE1 4.02Å; I144-L226 PolarHBondContact O-N 3.28Å; I144-L226 VanDerWaalsContact O-N 3.1Å
145	I	98.9	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	111.2	176.9	-60.2	165	0	0	0	107.7	I143 L155 T158 I159 I174 I175 L176 I177 L226	I143-I145 HydrophobicContact CG2-CD1 4.39Å; I143-I145 HydrophobicContact CG2-CG1 4.29Å; I145-L155 HydrophobicContact CG2-CD1 4.27Å; I145-T158 HydrophobicContact CD1-CG2 3.96Å; I145-I159 HydrophobicContact CD1-CG1 4.25Å; I145-I174 HydrophobicContact CD1-CG2 3.93Å; I145-I175 PolarHBondContact N-O 3.39Å; I145-L176 HydrophobicContact CB-CD2 3.83Å; I145-L176 HydrophobicContact CD1-CD2 4.03Å; I145-L176 HydrophobicContact CG1-CD2 4.46Å; I145-L176 HydrophobicContact CG2-CD2 4.29Å; I145-L176 CarbonylContact O-C 3.55Å; I145-L176 WeakPolarHBondContact O-CA 3.34Å; I145-I177 PolarHBondContact O-N 3.08Å; I145-L226 WeakPolarHBondContact CA-O 3.31Å; I145-L226 HydrophobicContact CG1-CB 3.96Å
146	T	98.6	Very high	97.7	Very high	8 Å²	8	24.1 Å²	24.1	5%	0.049	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	139.1	174.4	57.3	0	0	0	0	109.6	I144 I177 L207 R211	I144-T146 HydrophobicContact CG2-CG2 4.35Å; T146-I177 WeakPolarHBondContact CA-O 3.39Å; T146-I177 HydrophobicContact CG2-CB 3.98Å; T146-I177 HydrophobicContact CG2-CG1 4.15Å; T146-L207 WeakPolarHBondContact OG1-CD1 3.49Å; T146-R211 HydrophobicContact CG2-CB 4.35Å; T146-R211 HydrophobicContact CG2-CG 3.57Å
147	F	98.6	Very high	98	Very high	7 Å²	7	19 Å²	19	3%	0.031	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	158.7	178.1	76	-84.1	0	0	0	112.4	E150 L155 L176 I177 D178 D179 D186 C187	F147-E150 HydrophobicContact CB-CB 4.17Å; F147-E150 HydrophobicContact CD2-CB 4.06Å; F147-L155 HydrophobicContact CD1-CD1 4.28Å; F147-L155 HydrophobicContact CD1-CD2 4.28Å; F147-L155 HydrophobicContact CD2-CD2 4.11Å; F147-L155 HydrophobicContact CE1-CD2 4.02Å; F147-L155 HydrophobicContact CE2-CD2 3.84Å; F147-L155 HydrophobicContact CG-CD1 4.41Å; F147-L155 HydrophobicContact CG-CD2 4.29Å; F147-L155 HydrophobicContact CZ-CD2 3.75Å; F147-L176 HydrophobicContact CE1-CB 4.21Å; F147-I177 PolarHBondContact N-O 3.4Å; F147-D178 HydrophobicContact CE1-CB 3.81Å; F147-D178 HydrophobicContact CE2-CB 4.41Å; F147-D178 HydrophobicContact CZ-CB 3.75Å; F147-D179 WeakPolarHBondContact O-CB 3.34Å; F147-D179 PolarHBondContact O-N 3.06Å; F147-D186 HydrophobicContact CE2-CB 4.21Å; F147-C187 HydrophobicContact CE1-CB 4.13Å; F147-C187 HydrophobicContact CZ-CB 3.65Å
148	H	98	Very high	98.3	Very high	37 Å²	37	11 Å²	11	17%	0.171	6%	0.061	C	C	.	.	S	Bend	trans	-144.6	114.9	173.1	177.1	78.1	0	0	0	108.1	E150 D179 F180 R204	H148-E150 VanDerWaalsContact C-N 3.29Å; H148-E150 PolarHBondContact O-N 2.99Å; H148-D179 HydrophobicContact CB-CB 4.35Å; H148-D179 PolarHBondContact ND1-O 3.36Å; H148-F180 PolarHBondContact CE1-O 2.66Å; H148-F180 VanDerWaalsContact CE1-O 3.29Å; H148-F180 PolarHBondContact ND1-O 2.84Å; H148-R204 PolarHBondContact NE2-NE 3.37Å
149	N	97.4	Very high	98.3	Very high	53 Å²	53	9.9 Å²	9.9	28%	0.283	6%	0.055	S	C	.	.	S	Bend	trans	51	45.3	-179.4	-66.6	-19.4	0	0	0	113.4	H105 S181 T182	H105-N149 PolarHBondContact CE1-O 3.26Å; H105-N149 PolarHBondContact ND1-O 3.41Å; N149-S181 PolarHBondContact N-OG 3.11Å; N149-S181 WeakPolarHBondContact OD1-CA 3.5Å; N149-S181 VanDerWaalsContact OD1-CB 3.28Å; N149-S181 WeakPolarHBondContact OD1-CB 3.34Å; N149-T182 PolarHBondContact ND2-OG1 2.88Å; N149-T182 PolarHBondContact OD1-N 2.61Å
150	E	98.2	Very high	98.2	Very high	9 Å²	9	8.2 Å²	8.2	4%	0.042	4%	0.044	C	C	.	.			trans	-77.9	149.7	176.2	-173.4	63.6	-84.9	0	0	111.3	F147 H148 R152 T154 L155 S228 H229 R364	F147-E150 HydrophobicContact CB-CB 4.17Å; F147-E150 HydrophobicContact CD2-CB 4.06Å; H148-E150 VanDerWaalsContact C-N 3.29Å; H148-E150 PolarHBondContact O-N 2.99Å; E150-R152 PolarHBondContact O-N 3.27Å; E150-T154 WeakPolarHBondContact CG-OG1 3.29Å; E150-T154 PolarHBondContact OE1-OG1 3.06Å; E150-L155 HydrophobicContact CB-CB 4.48Å; E150-L155 HydrophobicContact CG-CB 4.06Å; E150-S228 PolarHBondContact OE2-OG 2.82Å; E150-H229 IonicContact OE2-CE1 2.99Å; E150-H229 IonicContact OE2-CG 3.12Å; E150-H229 IonicContact OE2-ND1 3.79Å; E150-H229 PolarHBondContact OE2-ND1 3.02Å; E150-R364 VanDerWaalsContact CD-NH2 3.31Å; E150-R364 IonicContact OE1-CZ 2.98Å; E150-R364 IonicContact OE1-NH1 3.2Å; E150-R364 IonicContact OE1-NH2 3.91Å; E150-R364 PolarHBondContact OE1-NH2 3.44Å; E150-R364 IonicContact OE2-NH2 3.62Å; E150-R364 PolarHBondContact OE2-NH2 2.87Å
151	A	97.8	Very high	98.2	Very high	2 Å²	2	7.1 Å²	7.1	2%	0.017	4%	0.036	C	C	.	.			trans	-63.3	134	171.1	0	0	0	0	0	111.1	H105 F107 L109 S153 T154 L155	H105-A151 PolarHBondContact CE1-N 3.31Å; F107-A151 HydrophobicContact CE2-CB 4.11Å; F107-A151 HydrophobicContact CZ-CB 3.69Å; L109-A151 HydrophobicContact CD1-CB 3.59Å; A151-S153 PolarHBondContact O-N 3.37Å; A151-T154 WeakPolarHBondContact CB-OG1 3.29Å; A151-T154 PolarHBondContact O-N 3.29Å; A151-T154 VanDerWaalsContact O-N 3.17Å; A151-T154 PolarHBondContact O-OG1 2.92Å; A151-L155 PolarHBondContact O-N 3.48Å
152	R	97.9	Very high	98.2	Very high	11 Å²	11	7.1 Å²	7.1	4%	0.042	4%	0.036	C	C	.	.	H	α-helix	trans	-53.8	-40.8	179	-73.3	-164.3	177.2	-174.4	1.2	112.5	Y89 L90 A92 K93 E150 L156 D183 D186	Y89-R152 HydrophobicContact CD1-CB 4.11Å; Y89-R152 HydrophobicContact CD1-CG 4.45Å; Y89-R152 HydrophobicContact CE1-CB 3.47Å; Y89-R152 VanDerWaalsContact CE1-CB 3.47Å; Y89-R152 HydrophobicContact CE1-CG 3.76Å; Y89-R152 HydrophobicContact CE2-CG 4.2Å; Y89-R152 WeakPolarHBondContact O-CD 3.47Å; Y89-R152 PolarHBondContact O-NH1 2.88Å; L90-R152 HydrophobicContact CD2-CB 4.15Å; A92-R152 VanDerWaalsContact CB-NH1 3.33Å; K93-R152 HydrophobicContact CB-CG 4.33Å; K93-R152 HydrophobicContact CG-CG 4.1Å; E150-R152 PolarHBondContact O-N 3.27Å; R152-L156 VanDerWaalsContact O-CB 3.23Å; R152-L156 WeakPolarHBondContact O-CB 3.49Å; R152-L156 PolarHBondContact O-N 2.99Å; R152-D183 IonicContact NH2-OD2 2.66Å; R152-D183 PolarHBondContact NH2-OD2 3.36Å; R152-D186 IonicContact CZ-OD1 3.16Å; R152-D186 VanDerWaalsContact CZ-OD1 3.26Å; R152-D186 IonicContact NE-OD1 2.72Å; R152-D186 PolarHBondContact NE-OD1 3.35Å; R152-D186 IonicContact NH2-OD1 2.81Å; R152-D186 PolarHBondContact NH2-OD1 2.86Å
153	S	97.9	Very high	98	Very high	4 Å²	4	7.8 Å²	7.8	3%	0.028	4%	0.039	C	C	.	.	H	α-helix	trans	-64.9	-44.2	179.4	55	0	0	0	0	113.1	S112 D113 A151 R157	S112-S153 WeakPolarHBondContact CB-OG 3.23Å; S112-S153 PolarHBondContact OG-OG 2.9Å; D113-S153 WeakPolarHBondContact OD1-CB 3.3Å; D113-S153 PolarHBondContact OD1-OG 3.24Å; A151-S153 PolarHBondContact O-N 3.37Å; S153-R157 WeakPolarHBondContact O-CB 3.41Å; S153-R157 PolarHBondContact O-N 2.73Å; S153-R157 PolarHBondContact O-NH1 3.32Å
154	T	98.3	Very high	97.7	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.012	5%	0.049	C	C	.	.	H	α-helix	trans	-68.5	-41.7	176.1	42	0	0	0	0	112.8	F107 E150 A151 R157 T158 S228 H229 F264	F107-T154 HydrophobicContact CE1-CG2 4.24Å; F107-T154 HydrophobicContact CE2-CG2 4.07Å; F107-T154 HydrophobicContact CZ-CG2 3.65Å; E150-T154 WeakPolarHBondContact CG-OG1 3.29Å; E150-T154 PolarHBondContact OE1-OG1 3.06Å; A151-T154 WeakPolarHBondContact CB-OG1 3.29Å; A151-T154 PolarHBondContact O-N 3.29Å; A151-T154 VanDerWaalsContact O-N 3.17Å; A151-T154 PolarHBondContact O-OG1 2.92Å; T154-R157 PolarHBondContact O-N 3.29Å; T154-T158 PolarHBondContact O-N 2.65Å; T154-T158 PolarHBondContact O-OG1 2.86Å; T154-S228 CarbonylContact C-O 3.49Å; T154-H229 HydrophobicContact CG2-CB 4.26Å; T154-F264 HydrophobicContact CG2-CE1 3.88Å; T154-F264 HydrophobicContact CG2-CZ 4.13Å
155	L	98.6	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64.5	-49.3	-179.5	179.6	59.4	0	0	0	110.7	I145 F147 E150 A151 R157 T158 I159 L190 S228	I145-L155 HydrophobicContact CG2-CD1 4.27Å; F147-L155 HydrophobicContact CD1-CD1 4.28Å; F147-L155 HydrophobicContact CD1-CD2 4.28Å; F147-L155 HydrophobicContact CD2-CD2 4.11Å; F147-L155 HydrophobicContact CE1-CD2 4.02Å; F147-L155 HydrophobicContact CE2-CD2 3.84Å; F147-L155 HydrophobicContact CG-CD1 4.41Å; F147-L155 HydrophobicContact CG-CD2 4.29Å; F147-L155 HydrophobicContact CZ-CD2 3.75Å; E150-L155 HydrophobicContact CB-CB 4.48Å; E150-L155 HydrophobicContact CG-CB 4.06Å; A151-L155 PolarHBondContact O-N 3.48Å; L155-R157 PolarHBondContact O-N 3.32Å; L155-T158 WeakPolarHBondContact O-CB 3.39Å; L155-T158 PolarHBondContact O-N 3.41Å; L155-I159 HydrophobicContact CD1-CD1 4.36Å; L155-I159 HydrophobicContact CG-CD1 4.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 2.68Å; L155-L190 HydrophobicContact CD2-CD1 3.54Å; L155-L190 HydrophobicContact CG-CD1 3.77Å; L155-S228 WeakPolarHBondContact CA-O 3.45Å; L155-S228 PolarHBondContact N-O 3.3Å
156	L	98.2	Very high	97.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.8	-44.2	177.1	179.6	62.1	0	0	0	111.6	F84 E86 Y89 L90 R152 T158 I159 K160 L190 I193	F84-L156 HydrophobicContact CE1-CD1 3.64Å; F84-L156 HydrophobicContact CE1-CD2 3.99Å; F84-L156 HydrophobicContact CE1-CG 4.49Å; F84-L156 HydrophobicContact CZ-CD1 4.03Å; F84-L156 HydrophobicContact CZ-CD2 4.43Å; E86-L156 HydrophobicContact CB-CD2 4.36Å; E86-L156 HydrophobicContact CG-CD2 3.61Å; Y89-L156 HydrophobicContact CD1-CD2 4.26Å; Y89-L156 HydrophobicContact CE1-CB 4.18Å; L90-L156 HydrophobicContact CD1-CD2 4.41Å; L90-L156 HydrophobicContact CD2-CD2 4.23Å; L90-L156 HydrophobicContact CG-CD2 4.34Å; R152-L156 VanDerWaalsContact O-CB 3.23Å; R152-L156 WeakPolarHBondContact O-CB 3.49Å; R152-L156 PolarHBondContact O-N 2.99Å; L156-T158 VanDerWaalsContact C-N 3.28Å; L156-T158 PolarHBondContact O-N 2.85Å; L156-I159 PolarHBondContact O-N 3.2Å; L156-K160 HydrophobicContact CD1-CD 3.87Å; L156-K160 HydrophobicContact CD1-CG 3.99Å; L156-K160 HydrophobicContact CD2-CD 4.46Å; L156-K160 HydrophobicContact CG-CD 3.96Å; L156-K160 HydrophobicContact CG-CG 4.34Å; L156-K160 WeakPolarHBondContact O-CG 3.44Å; L156-K160 PolarHBondContact O-N 2.85Å; L156-L190 HydrophobicContact CD1-CD2 3.81Å; L156-I193 HydrophobicContact CD1-CD1 3.81Å
157	R	97.9	Very high	97.1	Very high	4 Å²	4	13.3 Å²	13.3	2%	0.015	7%	0.068	C	C	.	.	H	α-helix	trans	-64.5	-33.4	179.3	-173.2	164.6	58.4	-105.8	-5.8	112.3	S112 S153 T154 L155 S161 E231	S112-R157 PolarHBondContact O-NH1 3.49Å; S112-R157 VanDerWaalsContact O-NH1 3.14Å; S112-R157 PolarHBondContact OG-NH1 2.8Å; S112-R157 PolarHBondContact OG-NH2 3.3Å; S153-R157 WeakPolarHBondContact O-CB 3.41Å; S153-R157 PolarHBondContact O-N 2.73Å; S153-R157 PolarHBondContact O-NH1 3.32Å; T154-R157 PolarHBondContact O-N 3.29Å; L155-R157 PolarHBondContact O-N 3.32Å; R157-S161 VanDerWaalsContact O-CB 3.23Å; R157-S161 WeakPolarHBondContact O-CB 3.42Å; R157-S161 PolarHBondContact O-N 3.25Å; R157-S161 PolarHBondContact O-OG 3.5Å; R157-E231 WeakPolarHBondContact CD-OE1 3.45Å; R157-E231 HydrophobicContact CG-CG 3.9Å; R157-E231 IonicContact CZ-OE1 3.49Å; R157-E231 IonicContact NE-OE1 2.7Å; R157-E231 PolarHBondContact NE-OE1 3.18Å
158	T	98.7	Very high	96.9	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-53.4	171.3	-56.6	0	0	0	0	110.8	I145 T154 L155 L156 K160 S161 V162 S228 H229 C230	I145-T158 HydrophobicContact CD1-CG2 3.96Å; T154-T158 PolarHBondContact O-N 2.65Å; T154-T158 PolarHBondContact O-OG1 2.86Å; L155-T158 WeakPolarHBondContact O-CB 3.39Å; L155-T158 PolarHBondContact O-N 3.41Å; L156-T158 VanDerWaalsContact C-N 3.28Å; L156-T158 PolarHBondContact O-N 2.85Å; T158-K160 PolarHBondContact O-N 3.48Å; T158-S161 PolarHBondContact O-N 3.17Å; T158-S161 PolarHBondContact O-OG 3.16Å; T158-V162 WeakPolarHBondContact O-CG2 3.39Å; T158-V162 PolarHBondContact O-N 3.28Å; T158-V162 VanDerWaalsContact O-N 3.17Å; T158-S228 VanDerWaalsContact OG1-C 3.25Å; T158-S228 PolarHBondContact OG1-O 2.59Å; T158-H229 PolarHBondContact OG1-N 2.94Å; T158-C230 WeakPolarHBondContact CA-O 3.38Å; T158-C230 WeakPolarHBondContact CB-O 3.36Å; T158-C230 HydrophobicContact CG2-CB 4.11Å; T158-C230 PolarHBondContact OG1-N 3.13Å; T158-C230 PolarHBondContact OG1-O 2.94Å
159	I	98.1	Very high	96.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-48.2	-179.1	-65.4	161.4	0	0	0	111.2	I145 L155 L156 S161 V162 L163 I174 L176 L190 I193 V196	I145-I159 HydrophobicContact CD1-CG1 4.25Å; L155-I159 HydrophobicContact CD1-CD1 4.36Å; L155-I159 HydrophobicContact CG-CD1 4.31Å; L155-I159 WeakPolarHBondContact O-CG1 3.28Å; L155-I159 PolarHBondContact O-N 2.68Å; L156-I159 PolarHBondContact O-N 3.2Å; I159-S161 PolarHBondContact O-N 3.23Å; I159-V162 WeakPolarHBondContact O-CB 3.3Å; I159-V162 PolarHBondContact O-N 2.9Å; I159-L163 HydrophobicContact CG2-CD1 3.95Å; I159-L163 WeakPolarHBondContact O-CG 3.38Å; I159-L163 PolarHBondContact O-N 3.16Å; I159-I174 HydrophobicContact CG2-CD1 4.16Å; I159-L176 HydrophobicContact CD1-CD1 3.67Å; I159-L176 HydrophobicContact CD1-CD2 3.87Å; I159-L176 HydrophobicContact CD1-CG 4.36Å; I159-L176 HydrophobicContact CG1-CD2 4.07Å; I159-L190 HydrophobicContact CD1-CD1 3.65Å; I159-L190 HydrophobicContact CD1-CD2 4.24Å; I159-L190 HydrophobicContact CD1-CG 4.38Å; I159-I193 HydrophobicContact CG2-CD1 4.43Å; I159-V196 HydrophobicContact CG2-CG2 3.79Å
160	K	96.1	Very high	96.8	Very high	6 Å²	6	17.8 Å²	17.8	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-66.2	-39.4	180	-70.2	-174.5	73.3	178.2	0	111.5	L81 E86 S117 E118 L156 T158 V162 L163 M164	L81-K160 HydrophobicContact CD2-CD 3.95Å; L81-K160 HydrophobicContact CD2-CG 4.27Å; E86-K160 IonicContact OE1-NZ 2.67Å; E86-K160 IonicContact OE2-NZ 3.97Å; E86-K160 PolarHBondContact OE2-NZ 3.48Å; S117-K160 VanDerWaalsContact OG-CD 3.29Å; S117-K160 WeakPolarHBondContact OG-CD 3.4Å; S117-K160 WeakPolarHBondContact OG-CE 3.29Å; S117-K160 PolarHBondContact OG-NZ 2.89Å; E118-K160 HydrophobicContact CG-CD 4.43Å; E118-K160 WeakPolarHBondContact OE1-CE 3.49Å; E118-K160 IonicContact OE1-NZ 2.72Å; E118-K160 PolarHBondContact OE1-NZ 3.04Å; L156-K160 HydrophobicContact CD1-CD 3.87Å; L156-K160 HydrophobicContact CD1-CG 3.99Å; L156-K160 HydrophobicContact CD2-CD 4.46Å; L156-K160 HydrophobicContact CG-CD 3.96Å; L156-K160 HydrophobicContact CG-CG 4.34Å; L156-K160 WeakPolarHBondContact O-CG 3.44Å; L156-K160 PolarHBondContact O-N 2.85Å; T158-K160 PolarHBondContact O-N 3.48Å; K160-V162 VanDerWaalsContact C-N 3.25Å; K160-V162 PolarHBondContact O-N 3.01Å; K160-L163 PolarHBondContact O-N 3.17Å; K160-M164 VanDerWaalsContact O-CB 3.23Å; K160-M164 WeakPolarHBondContact O-CB 3.26Å; K160-M164 WeakPolarHBondContact O-CG 3.49Å; K160-M164 PolarHBondContact O-N 3.41Å
161	S	97.4	Very high	96.8	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.028	11%	0.105	C	C	.	.	H	α-helix	trans	-57.7	-41.3	175.4	75.7	0	0	0	0	112	R157 T158 I159 R165 V232	R157-S161 VanDerWaalsContact O-CB 3.23Å; R157-S161 WeakPolarHBondContact O-CB 3.42Å; R157-S161 PolarHBondContact O-N 3.25Å; R157-S161 PolarHBondContact O-OG 3.5Å; T158-S161 PolarHBondContact O-N 3.17Å; T158-S161 PolarHBondContact O-OG 3.16Å; I159-S161 PolarHBondContact O-N 3.23Å; S161-R165 VanDerWaalsContact O-CB 3.3Å; S161-R165 WeakPolarHBondContact O-CB 3.45Å; S161-R165 PolarHBondContact O-N 2.83Å; S161-V232 VanDerWaalsContact C-CG2 3.44Å; S161-V232 VanDerWaalsContact O-CG2 3.25Å; S161-V232 WeakPolarHBondContact O-CG2 3.34Å; S161-V232 PolarHBondContact OG-N 3.06Å
162	V	97.9	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-52.3	176.2	165.9	0	0	0	0	111.4	I143 T158 I159 K160 M164 S166 I171 I174 L226 V232 W236	I143-V162 HydrophobicContact CD1-CG1 3.22Å; T158-V162 WeakPolarHBondContact O-CG2 3.39Å; T158-V162 PolarHBondContact O-N 3.28Å; T158-V162 VanDerWaalsContact O-N 3.17Å; I159-V162 WeakPolarHBondContact O-CB 3.3Å; I159-V162 PolarHBondContact O-N 2.9Å; K160-V162 VanDerWaalsContact C-N 3.25Å; K160-V162 PolarHBondContact O-N 3.01Å; V162-M164 VanDerWaalsContact C-N 3.27Å; V162-M164 PolarHBondContact O-N 3.47Å; V162-S166 VanDerWaalsContact O-CB 3.29Å; V162-S166 WeakPolarHBondContact O-CB 3.35Å; V162-S166 PolarHBondContact O-N 2.87Å; V162-S166 PolarHBondContact O-OG 2.82Å; V162-I171 HydrophobicContact CG1-CD1 3.9Å; V162-I174 HydrophobicContact CB-CD1 4.39Å; V162-I174 HydrophobicContact CG1-CD1 3.79Å; V162-I174 HydrophobicContact CG1-CG1 4.36Å; V162-L226 HydrophobicContact CG2-CD1 3.52Å; V162-V232 HydrophobicContact CG2-CG1 4Å; V162-V232 HydrophobicContact CG2-CG2 4.35Å; V162-W236 HydrophobicContact CG2-CZ2 4.14Å
163	L	95.7	Very high	96.8	Very high	14 Å²	14	21.9 Å²	21.9	7%	0.073	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-36.1	-178.2	-70.3	171.3	0	0	0	112.5	L80 I159 K160 I171 I174 I193	L80-L163 HydrophobicContact CD2-CB 4.42Å; I159-L163 HydrophobicContact CG2-CD1 3.95Å; I159-L163 WeakPolarHBondContact O-CG 3.38Å; I159-L163 PolarHBondContact O-N 3.16Å; K160-L163 PolarHBondContact O-N 3.17Å; L163-I171 HydrophobicContact CD2-CD1 4.17Å; L163-I174 HydrophobicContact CD1-CD1 4.47Å; L163-I174 HydrophobicContact CD2-CD1 3.75Å; L163-I174 HydrophobicContact CG-CD1 3.84Å; L163-I193 HydrophobicContact CD1-CG2 3.58Å
164	M	92.2	Very high	96.9	Very high	40 Å²	40	21.7 Å²	21.7	20%	0.197	12%	0.124	C	C	.	.	H	α-helix	trans	-86.5	-26.4	-172.1	-60.5	-74.4	-94.7	0	0	113.1	P72 Q77 L80 E118 K160 V162	P72-M164 HydrophobicContact CG-CE 3.1Å; P72-M164 HydrophobicContact CG-SD 3.46Å; P72-M164 WeakPolarHBondContact CG-SD 3.26Å; Q77-M164 HydrophobicContact CG-CE 4.49Å; L80-M164 HydrophobicContact CD1-SD 3.35Å; L80-M164 WeakPolarHBondContact CD1-SD 3.43Å; E118-M164 HydrophobicContact CG-CE 4.01Å; K160-M164 VanDerWaalsContact O-CB 3.23Å; K160-M164 WeakPolarHBondContact O-CB 3.26Å; K160-M164 WeakPolarHBondContact O-CG 3.49Å; K160-M164 PolarHBondContact O-N 3.41Å; V162-M164 VanDerWaalsContact C-N 3.27Å; V162-M164 PolarHBondContact O-N 3.47Å
165	R	94.8	Very high	96.9	Very high	37 Å²	37	21.6 Å²	21.6	14%	0.14	12%	0.123	C	C	.	.	S	Bend	trans	-117.3	17	-172.3	-57.6	170.9	-175.4	145	6.9	113.2	R119 S161 V232	R119-R165 PolarHBondContact O-NH2 3.1Å; S161-R165 VanDerWaalsContact O-CB 3.3Å; S161-R165 WeakPolarHBondContact O-CB 3.45Å; S161-R165 PolarHBondContact O-N 2.83Å; R165-V232 HydrophobicContact CB-CG2 4.15Å; R165-V232 WeakPolarHBondContact CD-O 3.49Å; R165-V232 PolarHBondContact NH1-O 3Å
166	S	95.4	Very high	96.9	Very high	8 Å²	8	21.6 Å²	21.6	6%	0.056	12%	0.123	C	C	.	.	S	Bend	trans	-127.1	143.6	172.2	-37.1	0	0	0	0	109.7	V162 W236	V162-S166 VanDerWaalsContact O-CB 3.29Å; V162-S166 WeakPolarHBondContact O-CB 3.35Å; V162-S166 PolarHBondContact O-N 2.87Å; V162-S166 PolarHBondContact O-OG 2.82Å; S166-W236 PolarHBondContact OG-NE1 3.23Å
167	P	94.3	Very high	96.9	Very high	41 Å²	41	21.6 Å²	21.6	27%	0.266	12%	0.123	S	C	.	.			trans	-56.6	129.2	171.5	-23.3	32.6	0	0	0	110.6	S169 L170 Q238	P167-S169 PolarHBondContact O-N 3.32Å; P167-S169 VanDerWaalsContact O-N 3.13Å; P167-L170 HydrophobicContact CB-CD1 4.18Å; P167-L170 HydrophobicContact CB-CG 4.09Å; P167-L170 HydrophobicContact CG-CD1 3.9Å; P167-L170 HydrophobicContact CG-CG 4.36Å; P167-L170 PolarHBondContact O-N 3.01Å; P167-Q238 HydrophobicContact CG-CG 4.33Å
168	P	94	Very high	97	Very high	84 Å²	84	21.4 Å²	21.4	55%	0.545	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-56.7	-32.9	-176.6	-29.7	36	0	0	0	113.8	L170 I171 K195	P168-L170 PolarHBondContact O-N 3.32Å; P168-I171 PolarHBondContact O-N 2.86Å; P168-K195 PolarHBondContact O-NZ 2.77Å
169	S	95.1	Very high	97	Very high	96 Å²	96	21.7 Å²	21.7	67%	0.671	12%	0.124	S	C	*	.	G	3₁₀ helix	trans	-63.4	-24.5	176.9	52.3	0	0	0	0	113.8	P167	P167-S169 PolarHBondContact O-N 3.32Å; P167-S169 VanDerWaalsContact O-N 3.13Å
170	L	97.6	Very high	97	Very high	10 Å²	10	26 Å²	26	5%	0.052	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-86.4	-16.3	-180	-58.3	-175.7	0	0	0	113.1	L138 S140 T141 P167 P168 Q172 L237 Q238 I241	L138-L170 HydrophobicContact CB-CD1 4.48Å; L138-L170 HydrophobicContact CB-CD2 3.6Å; L138-L170 HydrophobicContact CD1-CD1 4.26Å; L138-L170 VanDerWaalsContact O-CD2 3.3Å; L138-L170 WeakPolarHBondContact O-CD2 3.33Å; S140-L170 CarbonylContact C-O 3.51Å; S140-L170 VanDerWaalsContact CA-O 3.29Å; S140-L170 WeakPolarHBondContact CA-O 3.31Å; T141-L170 PolarHBondContact N-O 2.89Å; P167-L170 HydrophobicContact CB-CD1 4.18Å; P167-L170 HydrophobicContact CB-CG 4.09Å; P167-L170 HydrophobicContact CG-CD1 3.9Å; P167-L170 HydrophobicContact CG-CG 4.36Å; P167-L170 PolarHBondContact O-N 3.01Å; P168-L170 PolarHBondContact O-N 3.32Å; L170-Q172 PolarHBondContact O-N 3.48Å; L170-L237 HydrophobicContact CB-CD2 4.01Å; L170-Q238 HydrophobicContact CD1-CG 3.88Å; L170-I241 HydrophobicContact CB-CD1 4.31Å; L170-I241 HydrophobicContact CD1-CD1 4.37Å
171	I	98.1	Very high	97.1	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	103.6	175.8	-55.7	174.7	0	0	0	108.3	I143 V162 L163 P168 I174 K195	I143-I171 HydrophobicContact CD1-CG1 4.23Å; I143-I171 HydrophobicContact CD1-CG2 4.35Å; V162-I171 HydrophobicContact CG1-CD1 3.9Å; L163-I171 HydrophobicContact CD2-CD1 4.17Å; P168-I171 PolarHBondContact O-N 2.86Å; I171-I174 HydrophobicContact CG2-CG1 4.03Å; I171-K195 HydrophobicContact CB-CD 4.18Å; I171-K195 HydrophobicContact CG2-CD 3.86Å; I171-K195 WeakPolarHBondContact O-CD 3.38Å; I171-K195 PolarHBondContact O-NZ 3.17Å
172	Q	98.5	Very high	97	Very high	95 Å²	95	31.3 Å²	31.3	44%	0.444	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-50.5	170.9	-179.3	61.1	26	0	0	109.9	T141 L170 S219 A220	T141-Q172 WeakPolarHBondContact O-CB 3.4Å; T141-Q172 PolarHBondContact O-N 3.22Å; L170-Q172 PolarHBondContact O-N 3.48Å; Q172-S219 VanDerWaalsContact CG-OG 3.32Å; Q172-S219 WeakPolarHBondContact CG-OG 3.19Å; Q172-A220 HydrophobicContact CB-CB 3.88Å; Q172-A220 HydrophobicContact CG-CB 4.06Å
173	E	98.6	Very high	97	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	157.4	-177.9	59.7	-170.5	142	0	0	110.3	S142 I143 I175 K195 R197 S219	S142-E173 WeakPolarHBondContact OG-CG 3.24Å; S142-E173 PolarHBondContact OG-OE1 3.5Å; I143-E173 PolarHBondContact N-O 3.28Å; E173-I175 HydrophobicContact CG-CD1 4.13Å; E173-I175 HydrophobicContact CG-CG1 3.91Å; E173-K195 WeakPolarHBondContact CA-O 3.19Å; E173-R197 WeakPolarHBondContact OE2-CD 3.28Å; E173-R197 IonicContact OE2-CZ 3.36Å; E173-R197 IonicContact OE2-NE 2.89Å; E173-R197 IonicContact OE2-NH1 2.83Å; E173-R197 PolarHBondContact OE2-NH1 3.47Å; E173-S219 VanDerWaalsContact OE1-CB 3.3Å; E173-S219 WeakPolarHBondContact OE1-CB 3.45Å; E173-S219 PolarHBondContact OE1-N 3.17Å; E173-S219 PolarHBondContact OE1-OG 3.22Å
174	I	98.9	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.9	168.6	-57.8	175.3	0	0	0	107.1	I143 I145 I159 V162 L163 I171 L176 K195 V196 R197	I143-I174 HydrophobicContact CB-CG1 4.29Å; I143-I174 HydrophobicContact CD1-CG1 4.49Å; I143-I174 CarbonylContact O-C 3.46Å; I143-I174 WeakPolarHBondContact O-CA 3.49Å; I145-I174 HydrophobicContact CD1-CG2 3.93Å; I159-I174 HydrophobicContact CG2-CD1 4.16Å; V162-I174 HydrophobicContact CB-CD1 4.39Å; V162-I174 HydrophobicContact CG1-CD1 3.79Å; V162-I174 HydrophobicContact CG1-CG1 4.36Å; L163-I174 HydrophobicContact CD1-CD1 4.47Å; L163-I174 HydrophobicContact CD2-CD1 3.75Å; L163-I174 HydrophobicContact CG-CD1 3.84Å; I171-I174 HydrophobicContact CG2-CG1 4.03Å; I174-L176 HydrophobicContact CG2-CD2 3.96Å; I174-K195 PolarHBondContact N-O 3.38Å; I174-V196 HydrophobicContact CB-CG2 4.25Å; I174-V196 HydrophobicContact CD1-CG2 4.37Å; I174-V196 CarbonylContact O-C 3.36Å; I174-V196 WeakPolarHBondContact O-CA 3.17Å; I174-R197 PolarHBondContact O-N 3.36Å
175	I	98.9	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.5	-179.7	-54.6	176	0	0	0	108.3	I143 I144 I145 E173 I177 L199 A218	I143-I175 PolarHBondContact O-N 2.94Å; I144-I175 WeakPolarHBondContact CA-O 3.32Å; I145-I175 PolarHBondContact N-O 3.39Å; E173-I175 HydrophobicContact CG-CD1 4.13Å; E173-I175 HydrophobicContact CG-CG1 3.91Å; I175-I177 HydrophobicContact CG2-CD1 3.52Å; I175-I177 HydrophobicContact CG2-CG1 4.37Å; I175-L199 HydrophobicContact CG2-CD1 3.62Å; I175-L199 HydrophobicContact CG2-CG 4.19Å; I175-A218 HydrophobicContact CD1-CB 4.04Å
176	L	98.9	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121	170.7	-53	-176.4	0	0	0	109	I145 F147 I159 I174 L190 V196 R197 L199	I145-L176 HydrophobicContact CB-CD2 3.83Å; I145-L176 HydrophobicContact CD1-CD2 4.03Å; I145-L176 HydrophobicContact CG1-CD2 4.46Å; I145-L176 HydrophobicContact CG2-CD2 4.29Å; I145-L176 CarbonylContact O-C 3.55Å; I145-L176 WeakPolarHBondContact O-CA 3.34Å; F147-L176 HydrophobicContact CE1-CB 4.21Å; I159-L176 HydrophobicContact CD1-CD1 3.67Å; I159-L176 HydrophobicContact CD1-CD2 3.87Å; I159-L176 HydrophobicContact CD1-CG 4.36Å; I159-L176 HydrophobicContact CG1-CD2 4.07Å; I174-L176 HydrophobicContact CG2-CD2 3.96Å; L176-L190 HydrophobicContact CD1-CB 3.85Å; L176-L190 HydrophobicContact CD1-CD1 3.65Å; L176-L190 HydrophobicContact CD1-CG 4.43Å; L176-V196 HydrophobicContact CD1-CG1 3.61Å; L176-V196 HydrophobicContact CG-CG1 3.84Å; L176-R197 PolarHBondContact N-O 3.44Å; L176-L199 PolarHBondContact O-N 3.48Å
177	I	98.8	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	101.8	171.5	-46.7	-61.5	0	0	0	108.3	I144 I145 T146 F147 I175 D179 L199	I144-I177 HydrophobicContact CG2-CG1 4.3Å; I145-I177 PolarHBondContact O-N 3.08Å; T146-I177 WeakPolarHBondContact CA-O 3.39Å; T146-I177 HydrophobicContact CG2-CB 3.98Å; T146-I177 HydrophobicContact CG2-CG1 4.15Å; F147-I177 PolarHBondContact N-O 3.4Å; I175-I177 HydrophobicContact CG2-CD1 3.52Å; I175-I177 HydrophobicContact CG2-CG1 4.37Å; I177-D179 PolarHBondContact O-N 3.29Å; I177-L199 CarbonylContact C-O 3.49Å; I177-L199 WeakPolarHBondContact CA-O 3.14Å; I177-L199 HydrophobicContact CD1-CB 3.85Å; I177-L199 HydrophobicContact CD1-CD1 3.77Å; I177-L199 HydrophobicContact CD1-CG 4.28Å
178	D	98.8	Very high	97.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	104.9	172.4	170.8	14.3	0	0	0	109.1	F147 F180 S181 C187 L199 R200 N201	F147-D178 HydrophobicContact CE1-CB 3.81Å; F147-D178 HydrophobicContact CE2-CB 4.41Å; F147-D178 HydrophobicContact CZ-CB 3.75Å; D178-F180 PolarHBondContact O-N 3.36Å; D178-F180 PolarHBondContact OD1-N 2.9Å; D178-S181 WeakPolarHBondContact OD1-CB 3.48Å; D178-S181 PolarHBondContact OD1-N 2.87Å; D178-S181 PolarHBondContact OD1-OG 2.85Å; D178-C187 HydrophobicContact CB-CB 3.79Å; D178-L199 PolarHBondContact N-O 3.38Å; D178-R200 HydrophobicContact CB-CB 4.21Å; D178-R200 HydrophobicContact CB-CG 4.31Å; D178-R200 CarbonylContact O-C 3.6Å; D178-R200 WeakPolarHBondContact O-CA 3.38Å; D178-R200 IonicContact OD1-NH1 3.06Å; D178-R200 PolarHBondContact OD1-NH1 3.02Å; D178-R200 WeakPolarHBondContact OD2-CD 3.23Å; D178-R200 WeakPolarHBondContact OD2-CG 3.21Å; D178-R200 IonicContact OD2-CZ 3.88Å; D178-R200 IonicContact OD2-NE 3.73Å; D178-R200 IonicContact OD2-NH1 3.93Å; D178-R200 PolarHBondContact OD2-NH1 3.44Å; D178-N201 PolarHBondContact O-N 3.41Å
179	D	98.5	Very high	97.7	Very high	7 Å²	7	36 Å²	36	4%	0.037	19%	0.193	C	C	.	.			trans	-82.7	60.6	-178.9	-173.3	34.3	0	0	0	111.7	F147 H148 I177 N201 E205 G206 S210	F147-D179 WeakPolarHBondContact O-CB 3.34Å; F147-D179 PolarHBondContact O-N 3.06Å; H148-D179 HydrophobicContact CB-CB 4.35Å; H148-D179 PolarHBondContact ND1-O 3.36Å; I177-D179 PolarHBondContact O-N 3.29Å; D179-N201 PolarHBondContact OD1-ND2 3.2Å; D179-E205 PolarHBondContact OD1-N 2.99Å; D179-G206 PolarHBondContact OD1-N 3.29Å; D179-G206 WeakPolarHBondContact OD2-CA 3.32Å; D179-G206 PolarHBondContact OD2-N 2.8Å; D179-S210 PolarHBondContact OD1-OG 2.82Å
180	F	97.9	Very high	97.8	Very high	90 Å²	90	31.4 Å²	31.4	40%	0.395	16%	0.161	S	C	.	.	S	Bend	trans	61.9	47.4	175.5	-165.1	-111	0	0	0	113.2	H148 D178 S202 R204	H148-F180 PolarHBondContact CE1-O 2.66Å; H148-F180 VanDerWaalsContact CE1-O 3.29Å; H148-F180 PolarHBondContact ND1-O 2.84Å; D178-F180 PolarHBondContact O-N 3.36Å; D178-F180 PolarHBondContact OD1-N 2.9Å; F180-S202 VanDerWaalsContact CE2-O 3.28Å; F180-S202 WeakPolarHBondContact CE2-O 3.31Å; F180-R204 HydrophobicContact CB-CB 4.15Å; F180-R204 HydrophobicContact CD1-CB 4.11Å
181	S	98	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.178	C	C	.	.			trans	-60.4	152.7	170.6	-54	0	0	0	0	110.8	N149 D178 D183 R200	N149-S181 PolarHBondContact N-OG 3.11Å; N149-S181 WeakPolarHBondContact OD1-CA 3.5Å; N149-S181 VanDerWaalsContact OD1-CB 3.28Å; N149-S181 WeakPolarHBondContact OD1-CB 3.34Å; D178-S181 WeakPolarHBondContact OD1-CB 3.48Å; D178-S181 PolarHBondContact OD1-N 2.87Å; D178-S181 PolarHBondContact OD1-OG 2.85Å; S181-D183 VanDerWaalsContact C-N 3.25Å; S181-D183 PolarHBondContact O-N 3.01Å; S181-R200 VanDerWaalsContact O-CZ 3.23Å; S181-R200 PolarHBondContact O-NH1 3.02Å; S181-R200 PolarHBondContact O-NH2 3.46Å
182	T	96.8	Very high	97.6	Very high	121 Å²	121	38.3 Å²	38.3	74%	0.742	20%	0.199	S	C	*	.	S	Bend	trans	-63.2	-35.7	179.9	-53.6	0	0	0	0	111.4	N149	N149-T182 PolarHBondContact ND2-OG1 2.88Å; N149-T182 PolarHBondContact OD1-N 2.61Å
183	D	97.3	Very high	97.5	Very high	28 Å²	28	33.9 Å²	33.9	15%	0.15	18%	0.179	C	C	.	.			trans	-108	112.3	176.7	-170.7	-15.3	0	0	0	110.8	K93 R152 S181 E185	K93-D183 WeakPolarHBondContact CE-OD2 3.32Å; K93-D183 IonicContact NZ-OD2 2.79Å; K93-D183 PolarHBondContact NZ-OD2 3.48Å; R152-D183 IonicContact NH2-OD2 2.66Å; R152-D183 PolarHBondContact NH2-OD2 3.36Å; S181-D183 VanDerWaalsContact C-N 3.25Å; S181-D183 PolarHBondContact O-N 3.01Å; D183-E185 VanDerWaalsContact C-N 3.26Å; D183-E185 PolarHBondContact O-N 3.4Å; D183-E185 VanDerWaalsContact OD1-CB 3.27Å; D183-E185 WeakPolarHBondContact OD1-CB 3.23Å; D183-E185 PolarHBondContact OD1-N 3.28Å
184	P	96.8	Very high	97.3	Very high	42 Å²	42	35.9 Å²	35.9	27%	0.273	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-20.2	177.8	30.6	-35.1	0	0	0	113.3	D186 C187 Q188	P184-D186 PolarHBondContact O-N 3.09Å; P184-C187 PolarHBondContact O-N 3.34Å; P184-Q188 VanDerWaalsContact O-CG 3.32Å; P184-Q188 WeakPolarHBondContact O-CG 3.1Å; P184-Q188 PolarHBondContact O-N 3.49Å
185	E	97.4	Very high	97.2	Very high	95 Å²	95	40.1 Å²	40.1	44%	0.444	21%	0.211	S	C	.	.	H	α-helix	trans	-68	-24.1	-179.6	-63.1	-167	129.1	0	0	112.2	D183 C187 Q188 L189	D183-E185 VanDerWaalsContact C-N 3.26Å; D183-E185 PolarHBondContact O-N 3.4Å; D183-E185 VanDerWaalsContact OD1-CB 3.27Å; D183-E185 WeakPolarHBondContact OD1-CB 3.23Å; D183-E185 PolarHBondContact OD1-N 3.28Å; E185-C187 PolarHBondContact O-N 3.14Å; E185-C187 VanDerWaalsContact O-N 3.11Å; E185-Q188 PolarHBondContact O-N 2.88Å; E185-L189 HydrophobicContact CB-CD1 3.98Å; E185-L189 HydrophobicContact CB-CG 4.19Å; E185-L189 WeakPolarHBondContact O-CB 3.37Å; E185-L189 WeakPolarHBondContact O-CG 3.27Å; E185-L189 PolarHBondContact O-N 2.74Å
186	D	96.8	Very high	97.1	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.059	21%	0.213	C	C	.	.	H	α-helix	trans	-53.5	-33.7	174.4	-68	-12.8	0	0	0	111.3	Y89 F147 R152 P184 L190	Y89-D186 PolarHBondContact OH-O 2.93Å; F147-D186 HydrophobicContact CE2-CB 4.21Å; R152-D186 IonicContact CZ-OD1 3.16Å; R152-D186 VanDerWaalsContact CZ-OD1 3.26Å; R152-D186 IonicContact NE-OD1 2.72Å; R152-D186 PolarHBondContact NE-OD1 3.35Å; R152-D186 IonicContact NH2-OD1 2.81Å; R152-D186 PolarHBondContact NH2-OD1 2.86Å; P184-D186 PolarHBondContact O-N 3.09Å; D186-L190 WeakPolarHBondContact O-CD1 3.03Å
187	C	96.8	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-97.1	-46.7	176.6	-165.8	0	0	0	0	113.1	F147 D178 P184 E185 L189 L190 C198	F147-C187 HydrophobicContact CE1-CB 4.13Å; F147-C187 HydrophobicContact CZ-CB 3.65Å; D178-C187 HydrophobicContact CB-CB 3.79Å; P184-C187 PolarHBondContact O-N 3.34Å; E185-C187 PolarHBondContact O-N 3.14Å; E185-C187 VanDerWaalsContact O-N 3.11Å; C187-L189 PolarHBondContact O-N 2.57Å; C187-L190 WeakPolarHBondContact O-CB 3.41Å; C187-L190 PolarHBondContact O-N 3.43Å; C187-C198 VanDerWaalsContact C-SG 3.55Å; C187-C198 HydrophobicContact CB-CB 4.16Å; C187-C198 WeakPolarHBondContact CB-SG 3.47Å; C187-C198 VanDerWaalsContact SG-CA 3.57Å; C187-C198 WeakPolarHBondContact SG-CB 3.49Å; C187-C198 CovalentContact SG-SG 2.02Å; C187-C198 PolarHBondContact SG-SG 3.27Å
188	Q	96.4	Very high	97.1	Very high	100 Å²	100	47 Å²	47	47%	0.467	24%	0.242	S	C	.	.	H	α-helix	trans	-63	-41.8	-169.4	-71.3	172.1	-6.8	0	0	112	P184 E185 L190 S191	P184-Q188 VanDerWaalsContact O-CG 3.32Å; P184-Q188 WeakPolarHBondContact O-CG 3.1Å; P184-Q188 PolarHBondContact O-N 3.49Å; E185-Q188 PolarHBondContact O-N 2.88Å; Q188-L190 VanDerWaalsContact C-N 3.28Å; Q188-L190 PolarHBondContact O-N 2.95Å; Q188-S191 WeakPolarHBondContact O-CB 3.25Å; Q188-S191 PolarHBondContact O-N 3.39Å; Q188-S191 PolarHBondContact O-OG 3.11Å
189	L	96.9	Very high	97	Very high	47 Å²	47	48.4 Å²	48.4	25%	0.246	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-64.9	-34.1	179.7	-65	174.4	0	0	0	111.8	F84 Y89 E185 C187 S191 Q192	F84-L189 WeakPolarHBondContact CD2-O 3.26Å; F84-L189 HydrophobicContact CE2-CB 4.38Å; Y89-L189 HydrophobicContact CD2-CB 3.89Å; Y89-L189 HydrophobicContact CD2-CD1 3.88Å; Y89-L189 HydrophobicContact CE2-CB 4.19Å; Y89-L189 HydrophobicContact CE2-CD1 4.48Å; E185-L189 HydrophobicContact CB-CD1 3.98Å; E185-L189 HydrophobicContact CB-CG 4.19Å; E185-L189 WeakPolarHBondContact O-CB 3.37Å; E185-L189 WeakPolarHBondContact O-CG 3.27Å; E185-L189 PolarHBondContact O-N 2.74Å; C187-L189 PolarHBondContact O-N 2.57Å; L189-S191 PolarHBondContact O-N 2.9Å; L189-Q192 WeakPolarHBondContact O-CB 3.45Å; L189-Q192 WeakPolarHBondContact O-CG 3.4Å; L189-Q192 PolarHBondContact O-N 3.16Å
190	L	97.3	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-67.1	-19.7	178.1	-65.1	172.8	0	0	0	113.3	F84 Y89 L155 L156 I159 L176 D186 C187 Q188 Q192 I193 V196	F84-L190 HydrophobicContact CE1-CD2 4.48Å; F84-L190 HydrophobicContact CE2-CD2 3.88Å; F84-L190 HydrophobicContact CZ-CD2 3.66Å; Y89-L190 HydrophobicContact CE1-CD2 3.98Å; Y89-L190 HydrophobicContact CE2-CD2 4.22Å; Y89-L190 HydrophobicContact CE2-CG 4.07Å; Y89-L190 WeakPolarHBondContact OH-CD1 3.14Å; L155-L190 HydrophobicContact CD2-CD1 3.54Å; L155-L190 HydrophobicContact CG-CD1 3.77Å; L156-L190 HydrophobicContact CD1-CD2 3.81Å; I159-L190 HydrophobicContact CD1-CD1 3.65Å; I159-L190 HydrophobicContact CD1-CD2 4.24Å; I159-L190 HydrophobicContact CD1-CG 4.38Å; L176-L190 HydrophobicContact CD1-CB 3.85Å; L176-L190 HydrophobicContact CD1-CD1 3.65Å; L176-L190 HydrophobicContact CD1-CG 4.43Å; D186-L190 WeakPolarHBondContact O-CD1 3.03Å; C187-L190 WeakPolarHBondContact O-CB 3.41Å; C187-L190 PolarHBondContact O-N 3.43Å; Q188-L190 VanDerWaalsContact C-N 3.28Å; Q188-L190 PolarHBondContact O-N 2.95Å; L190-Q192 PolarHBondContact O-N 3.43Å; L190-I193 HydrophobicContact CD2-CD1 3.85Å; L190-I193 WeakPolarHBondContact O-CB 3.07Å; L190-I193 WeakPolarHBondContact O-CG1 3.36Å; L190-I193 PolarHBondContact O-N 3.38Å; L190-V196 HydrophobicContact CB-CG1 4.38Å; L190-V196 WeakPolarHBondContact O-CB 3.25Å; L190-V196 WeakPolarHBondContact O-CG1 3.42Å
191	S	95.8	Very high	97	Very high	60 Å²	60	47.6 Å²	47.6	42%	0.42	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-67.1	-11.2	176.1	71.8	0	0	0	0	114.1	Q188 L189	Q188-S191 WeakPolarHBondContact O-CB 3.25Å; Q188-S191 PolarHBondContact O-N 3.39Å; Q188-S191 PolarHBondContact O-OG 3.11Å; L189-S191 PolarHBondContact O-N 2.9Å
192	Q	95.4	Very high	97	Very high	99 Å²	99	53 Å²	53	46%	0.463	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-74.2	-17.9	172.2	-59.3	173.3	23.3	0	0	112.3	F84 L189 L190	F84-Q192 HydrophobicContact CB-CB 4.26Å; F84-Q192 HydrophobicContact CD2-CB 4.42Å; L189-Q192 WeakPolarHBondContact O-CB 3.45Å; L189-Q192 WeakPolarHBondContact O-CG 3.4Å; L189-Q192 PolarHBondContact O-N 3.16Å; L190-Q192 PolarHBondContact O-N 3.43Å
193	I	96.1	Very high	97	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.01	28%	0.275	C	S	.	.	S	Bend	trans	-75.1	129.5	176	-58.5	173.2	0	0	0	108.6	L81 F84 L156 I159 L163 L190 K195 V196	L81-I193 HydrophobicContact CD2-CD1 4.43Å; L81-I193 HydrophobicContact CD2-CG1 4.44Å; F84-I193 HydrophobicContact CB-CG1 3.68Å; F84-I193 HydrophobicContact CD1-CD1 3.88Å; F84-I193 HydrophobicContact CD1-CG1 3.87Å; F84-I193 HydrophobicContact CD2-CD1 4.3Å; F84-I193 HydrophobicContact CD2-CG1 3.96Å; F84-I193 HydrophobicContact CE1-CD1 4.03Å; F84-I193 HydrophobicContact CE1-CG1 4.48Å; F84-I193 HydrophobicContact CE2-CD1 4.45Å; F84-I193 HydrophobicContact CG-CD1 4.01Å; F84-I193 HydrophobicContact CG-CG1 3.56Å; F84-I193 HydrophobicContact CZ-CD1 4.31Å; L156-I193 HydrophobicContact CD1-CD1 3.81Å; I159-I193 HydrophobicContact CG2-CD1 4.43Å; L163-I193 HydrophobicContact CD1-CG2 3.58Å; L190-I193 HydrophobicContact CD2-CD1 3.85Å; L190-I193 WeakPolarHBondContact O-CB 3.07Å; L190-I193 WeakPolarHBondContact O-CG1 3.36Å; L190-I193 PolarHBondContact O-N 3.38Å; I193-K195 PolarHBondContact O-N 3.22Å; I193-V196 HydrophobicContact CB-CB 4.18Å; I193-V196 HydrophobicContact CB-CG2 3.74Å; I193-V196 HydrophobicContact CG2-CG2 3.75Å; I193-V196 WeakPolarHBondContact O-CB 3.33Å; I193-V196 PolarHBondContact O-N 3.26Å
194	P	95	Very high	97	Very high	52 Å²	52	55.9 Å²	55.9	34%	0.338	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	137.4	175.8	-29.5	34.3	0	0	0	113.3	L80 V196	L80-P194 WeakPolarHBondContact O-CD 3.27Å; P194-V196 PolarHBondContact O-N 3.36Å
195	K	96.3	Very high	97	Very high	88 Å²	88	55.5 Å²	55.5	38%	0.383	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	-5.1	-176.8	-50.7	-170.9	173.9	-161.3	0	116.1	P168 I171 E173 I174 I193	P168-K195 PolarHBondContact O-NZ 2.77Å; I171-K195 HydrophobicContact CB-CD 4.18Å; I171-K195 HydrophobicContact CG2-CD 3.86Å; I171-K195 WeakPolarHBondContact O-CD 3.38Å; I171-K195 PolarHBondContact O-NZ 3.17Å; E173-K195 WeakPolarHBondContact CA-O 3.19Å; I174-K195 PolarHBondContact N-O 3.38Å; I193-K195 PolarHBondContact O-N 3.22Å
196	V	98.3	Very high	97	Very high	9 Å²	9	51 Å²	51	6%	0.055	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129.4	179.5	-177.1	0	0	0	0	110.5	I159 I174 L176 L190 I193 P194	I159-V196 HydrophobicContact CG2-CG2 3.79Å; I174-V196 HydrophobicContact CB-CG2 4.25Å; I174-V196 HydrophobicContact CD1-CG2 4.37Å; I174-V196 CarbonylContact O-C 3.36Å; I174-V196 WeakPolarHBondContact O-CA 3.17Å; L176-V196 HydrophobicContact CD1-CG1 3.61Å; L176-V196 HydrophobicContact CG-CG1 3.84Å; L190-V196 HydrophobicContact CB-CG1 4.38Å; L190-V196 WeakPolarHBondContact O-CB 3.25Å; L190-V196 WeakPolarHBondContact O-CG1 3.42Å; I193-V196 HydrophobicContact CB-CB 4.18Å; I193-V196 HydrophobicContact CB-CG2 3.74Å; I193-V196 HydrophobicContact CG2-CG2 3.75Å; I193-V196 WeakPolarHBondContact O-CB 3.33Å; I193-V196 PolarHBondContact O-N 3.26Å; P194-V196 PolarHBondContact O-N 3.36Å
197	R	98	Very high	96.9	Very high	103 Å²	103	51.8 Å²	51.8	39%	0.389	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.5	174.8	-66.5	174.7	66.5	-161.6	0.7	109.2	E173 I174 L176	E173-R197 WeakPolarHBondContact OE2-CD 3.28Å; E173-R197 IonicContact OE2-CZ 3.36Å; E173-R197 IonicContact OE2-NE 2.89Å; E173-R197 IonicContact OE2-NH1 2.83Å; E173-R197 PolarHBondContact OE2-NH1 3.47Å; I174-R197 PolarHBondContact O-N 3.36Å; L176-R197 PolarHBondContact N-O 3.44Å
198	C	97.9	Very high	96.9	Very high	32 Å²	32	51.8 Å²	51.8	22%	0.216	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.3	174.2	173.8	0	0	0	0	110.9	C187	C187-C198 VanDerWaalsContact C-SG 3.55Å; C187-C198 HydrophobicContact CB-CB 4.16Å; C187-C198 WeakPolarHBondContact CB-SG 3.47Å; C187-C198 VanDerWaalsContact SG-CA 3.57Å; C187-C198 WeakPolarHBondContact SG-CB 3.49Å; C187-C198 CovalentContact SG-SG 2.02Å; C187-C198 PolarHBondContact SG-SG 3.27Å
199	L	98.3	Very high	97	Very high	30 Å²	30	49.7 Å²	49.7	16%	0.157	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	112.8	171.4	-56.8	176.3	0	0	0	109.5	I175 L176 I177 D178 T217	I175-L199 HydrophobicContact CG2-CD1 3.62Å; I175-L199 HydrophobicContact CG2-CG 4.19Å; L176-L199 PolarHBondContact O-N 3.48Å; I177-L199 CarbonylContact C-O 3.49Å; I177-L199 WeakPolarHBondContact CA-O 3.14Å; I177-L199 HydrophobicContact CD1-CB 3.85Å; I177-L199 HydrophobicContact CD1-CD1 3.77Å; I177-L199 HydrophobicContact CD1-CG 4.28Å; D178-L199 PolarHBondContact N-O 3.38Å; L199-T217 HydrophobicContact CD1-CG2 3.7Å
200	R	98.2	Very high	97.1	Very high	73 Å²	73	47.4 Å²	47.4	28%	0.275	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134	179.8	-179.8	173	172.2	91.1	-0.9	112.2	D178 S181 R213	D178-R200 HydrophobicContact CB-CB 4.21Å; D178-R200 HydrophobicContact CB-CG 4.31Å; D178-R200 CarbonylContact O-C 3.6Å; D178-R200 WeakPolarHBondContact O-CA 3.38Å; D178-R200 IonicContact OD1-NH1 3.06Å; D178-R200 PolarHBondContact OD1-NH1 3.02Å; D178-R200 WeakPolarHBondContact OD2-CD 3.23Å; D178-R200 WeakPolarHBondContact OD2-CG 3.21Å; D178-R200 IonicContact OD2-CZ 3.88Å; D178-R200 IonicContact OD2-NE 3.73Å; D178-R200 IonicContact OD2-NH1 3.93Å; D178-R200 PolarHBondContact OD2-NH1 3.44Å; S181-R200 VanDerWaalsContact O-CZ 3.23Å; S181-R200 PolarHBondContact O-NH1 3.02Å; S181-R200 PolarHBondContact O-NH2 3.46Å; R200-R213 PolarHBondContact O-NH1 2.89Å; R200-R213 PolarHBondContact O-NH2 3Å
201	N	98.4	Very high	97.2	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	23%	0.231	C	C	.	.			trans	-74.9	141.6	169.1	-66.5	-22	0	0	0	110.3	D178 D179 R203 E205 S210 R213	D178-N201 PolarHBondContact O-N 3.41Å; D179-N201 PolarHBondContact OD1-ND2 3.2Å; N201-R203 VanDerWaalsContact CB-O 3.23Å; N201-R203 WeakPolarHBondContact CB-O 3.49Å; N201-R203 PolarHBondContact O-N 3.23Å; N201-E205 HydrophobicContact CB-CG 4.35Å; N201-S210 PolarHBondContact ND2-OG 3.36Å; N201-R213 VanDerWaalsContact CA-NH1 3.29Å; N201-R213 VanDerWaalsContact OD1-CD 3.28Å; N201-R213 WeakPolarHBondContact OD1-CD 3.32Å; N201-R213 PolarHBondContact OD1-NH1 3.21Å
202	S	97.4	Very high	97.3	Very high	113 Å²	113	45.1 Å²	45.1	79%	0.79	21%	0.214	S	C	*	.	S	Bend	trans	-76.8	-13	178.2	52.7	0	0	0	0	113.5	F180	F180-S202 VanDerWaalsContact CE2-O 3.28Å; F180-S202 WeakPolarHBondContact CE2-O 3.31Å
203	R	96.8	Very high	97.5	Very high	158 Å²	158	44.6 Å²	44.6	60%	0.596	21%	0.208	S	C	*	.	S	Bend	trans	-151.4	166.2	174	65.2	-178.3	-177.7	-176.7	2.6	108.9	N201 E205	N201-R203 VanDerWaalsContact CB-O 3.23Å; N201-R203 WeakPolarHBondContact CB-O 3.49Å; N201-R203 PolarHBondContact O-N 3.23Å; R203-E205 HydrophobicContact CG-CG 4.39Å; R203-E205 IonicContact CZ-OE1 2.69Å; R203-E205 IonicContact NE-OE1 3.46Å; R203-E205 PolarHBondContact NE-OE1 3.29Å; R203-E205 IonicContact NH2-OE1 2.62Å; R203-E205 PolarHBondContact NH2-OE1 2.78Å; R203-E205 IonicContact NH2-OE2 3.64Å; R203-E205 PolarHBondContact O-N 2.84Å; R203-E205 VanDerWaalsContact O-N 3.15Å
204	R	96.6	Very high	97.6	Very high	52 Å²	52	44.5 Å²	44.5	20%	0.196	21%	0.207	C	C	.	.			trans	-71.7	107.5	177.6	-167.9	162.6	179	-114.3	-0.8	110.9	H148 F180 I332 Y369 D370	H148-R204 PolarHBondContact NE2-NE 3.37Å; F180-R204 HydrophobicContact CB-CB 4.15Å; F180-R204 HydrophobicContact CD1-CB 4.11Å; R204-I332 HydrophobicContact CG-CD1 4.29Å; R204-Y369 VanDerWaalsContact NH2-CD2 3.31Å; R204-D370 PolarHBondContact NH1-O 3.17Å; R204-D370 PolarHBondContact NH2-O 3.12Å
205	E	97.2	Very high	97.8	Very high	34 Å²	34	42 Å²	42	16%	0.159	19%	0.191	C	C	.	.			trans	-95.3	-23.4	-178	-69.9	-67.2	175.5	0	0	112.2	D179 N201 R203 R209	D179-E205 PolarHBondContact OD1-N 2.99Å; N201-E205 HydrophobicContact CB-CG 4.35Å; R203-E205 HydrophobicContact CG-CG 4.39Å; R203-E205 IonicContact CZ-OE1 2.69Å; R203-E205 IonicContact NE-OE1 3.46Å; R203-E205 PolarHBondContact NE-OE1 3.29Å; R203-E205 IonicContact NH2-OE1 2.62Å; R203-E205 PolarHBondContact NH2-OE1 2.78Å; R203-E205 IonicContact NH2-OE2 3.64Å; R203-E205 PolarHBondContact O-N 2.84Å; R203-E205 VanDerWaalsContact O-N 3.15Å; E205-R209 HydrophobicContact CB-CB 3.94Å; E205-R209 PolarHBondContact O-NE 3.47Å; E205-R209 PolarHBondContact O-NH2 2.81Å; E205-R209 WeakPolarHBondContact OE2-CD 3.49Å; E205-R209 IonicContact OE2-CZ 2.9Å; E205-R209 IonicContact OE2-NE 3.99Å; E205-R209 PolarHBondContact OE2-NE 3.47Å; E205-R209 IonicContact OE2-NH2 3.62Å
206	G	96.4	Very high	97.9	Very high	1 Å²	1	42 Å²	42	1%	0.01	20%	0.195	C	C	.	.			trans	90.2	166	-173.8	0	0	0	0	0	113.3	D179 I208 S210	D179-G206 PolarHBondContact OD1-N 3.29Å; D179-G206 WeakPolarHBondContact OD2-CA 3.32Å; D179-G206 PolarHBondContact OD2-N 2.8Å; G206-I208 VanDerWaalsContact C-N 3.28Å; G206-I208 PolarHBondContact O-N 2.94Å; G206-S210 WeakPolarHBondContact O-CB 3.44Å; G206-S210 PolarHBondContact O-N 2.8Å; G206-S210 PolarHBondContact O-OG 2.94Å
207	L	95.8	Very high	97.9	Very high	27 Å²	27	44 Å²	44	14%	0.141	21%	0.208	C	C	.	.	H	α-helix	trans	-51.7	-47.8	-179.3	176.7	61.6	0	0	0	111.9	T146 S210 R211 I332	T146-L207 WeakPolarHBondContact OG1-CD1 3.49Å; L207-S210 PolarHBondContact O-N 2.9Å; L207-R211 HydrophobicContact CD1-CG 4.19Å; L207-R211 WeakPolarHBondContact O-CB 3.22Å; L207-R211 WeakPolarHBondContact O-CG 3.36Å; L207-R211 PolarHBondContact O-N 3.42Å; L207-I332 WeakPolarHBondContact CB-O 3.29Å; L207-I332 PolarHBondContact N-O 2.77Å
208	I	97.2	Very high	97.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66	-53.9	-168.2	-58.6	169.6	0	0	0	110.7	G206 S210 R211 V212 Y326 M330 E336	G206-I208 VanDerWaalsContact C-N 3.28Å; G206-I208 PolarHBondContact O-N 2.94Å; I208-S210 VanDerWaalsContact C-N 3.33Å; I208-S210 PolarHBondContact O-N 3.05Å; I208-R211 PolarHBondContact O-N 2.78Å; I208-V212 WeakPolarHBondContact O-CG2 3.47Å; I208-V212 PolarHBondContact O-N 3.25Å; I208-V212 VanDerWaalsContact O-N 3.16Å; I208-Y326 HydrophobicContact CG2-CD1 4.41Å; I208-Y326 HydrophobicContact CG2-CG 3.95Å; I208-M330 HydrophobicContact CD1-CB 3.3Å; I208-M330 HydrophobicContact CD1-CG 4.29Å; I208-M330 HydrophobicContact CD1-SD 4.07Å; I208-M330 HydrophobicContact CG2-CB 4.43Å; I208-E336 HydrophobicContact CD1-CB 3.76Å; I208-E336 HydrophobicContact CD1-CG 4.4Å; I208-E336 HydrophobicContact CG1-CB 3.81Å; I208-E336 HydrophobicContact CG1-CG 4.03Å
209	R	98.4	Very high	97.9	Very high	55 Å²	55	41.3 Å²	41.3	21%	0.208	21%	0.205	C	C	.	.	H	α-helix	trans	-67.4	-34.1	177.9	-71.5	-170.3	-73.4	-89	0.1	111.9	E205 V212 R213 T328 M330 D331	E205-R209 HydrophobicContact CB-CB 3.94Å; E205-R209 PolarHBondContact O-NE 3.47Å; E205-R209 PolarHBondContact O-NH2 2.81Å; E205-R209 WeakPolarHBondContact OE2-CD 3.49Å; E205-R209 IonicContact OE2-CZ 2.9Å; E205-R209 IonicContact OE2-NE 3.99Å; E205-R209 PolarHBondContact OE2-NE 3.47Å; E205-R209 IonicContact OE2-NH2 3.62Å; R209-V212 PolarHBondContact O-N 3.18Å; R209-R213 PolarHBondContact O-N 3.25Å; R209-T328 VanDerWaalsContact CD-O 3.32Å; R209-T328 WeakPolarHBondContact CD-O 3.5Å; R209-T328 HydrophobicContact CG-CG2 4.42Å; R209-T328 PolarHBondContact NH1-O 3.12Å; R209-M330 PolarHBondContact NH1-O 2.86Å; R209-D331 IonicContact CZ-OD1 3.12Å; R209-D331 IonicContact NH1-OD1 3.5Å; R209-D331 PolarHBondContact NH1-OD1 2.77Å; R209-D331 IonicContact NH2-OD1 2.84Å; R209-D331 PolarHBondContact NH2-OD1 3Å
210	S	98.6	Very high	97.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-42.9	174.5	-64.2	0	0	0	0	112.5	D179 N201 G206 L207 I208 V212 R213 G214	D179-S210 PolarHBondContact OD1-OG 2.82Å; N201-S210 PolarHBondContact ND2-OG 3.36Å; G206-S210 WeakPolarHBondContact O-CB 3.44Å; G206-S210 PolarHBondContact O-N 2.8Å; G206-S210 PolarHBondContact O-OG 2.94Å; L207-S210 PolarHBondContact O-N 2.9Å; I208-S210 VanDerWaalsContact C-N 3.33Å; I208-S210 PolarHBondContact O-N 3.05Å; S210-V212 VanDerWaalsContact C-N 3.34Å; S210-V212 PolarHBondContact O-N 3.17Å; S210-R213 WeakPolarHBondContact O-CB 3.45Å; S210-R213 PolarHBondContact O-N 2.85Å; S210-G214 PolarHBondContact O-N 3.09Å
211	R	98.6	Very high	97.9	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-40.9	174.7	-76.7	-176.1	179.4	171.5	-1.6	111.8	T146 L207 I208 G214 A215 F225 D227 G310 G311 Y326	T146-R211 HydrophobicContact CG2-CB 4.35Å; T146-R211 HydrophobicContact CG2-CG 3.57Å; L207-R211 HydrophobicContact CD1-CG 4.19Å; L207-R211 WeakPolarHBondContact O-CB 3.22Å; L207-R211 WeakPolarHBondContact O-CG 3.36Å; L207-R211 PolarHBondContact O-N 3.42Å; I208-R211 PolarHBondContact O-N 2.78Å; R211-G214 PolarHBondContact O-N 3.41Å; R211-A215 WeakPolarHBondContact O-CB 3.3Å; R211-A215 PolarHBondContact O-N 3.06Å; R211-F225 HydrophobicContact CB-CD1 4.17Å; R211-F225 HydrophobicContact CB-CE1 3.81Å; R211-F225 HydrophobicContact CG-CD1 3.87Å; R211-F225 HydrophobicContact CG-CE1 4.05Å; R211-D227 IonicContact NH2-OD1 2.75Å; R211-D227 PolarHBondContact NH2-OD1 3.21Å; R211-G310 PolarHBondContact NH1-O 3Å; R211-G310 PolarHBondContact NH2-O 2.62Å; R211-G311 PolarHBondContact NH2-O 3.34Å; R211-Y326 HydrophobicContact CB-CD2 4.38Å; R211-Y326 HydrophobicContact CB-CE2 4.25Å
212	V	98.7	Very high	97.9	Very high	10 Å²	10	40.6 Å²	40.6	6%	0.061	21%	0.211	C	C	.	.	H	α-helix	trans	-61	-44.5	174.2	171	0	0	0	0	111.4	I208 R209 S210 G214 A215 N216 F320 Q325 Y326 T328	I208-V212 WeakPolarHBondContact O-CG2 3.47Å; I208-V212 PolarHBondContact O-N 3.25Å; I208-V212 VanDerWaalsContact O-N 3.16Å; R209-V212 PolarHBondContact O-N 3.18Å; S210-V212 VanDerWaalsContact C-N 3.34Å; S210-V212 PolarHBondContact O-N 3.17Å; V212-G214 VanDerWaalsContact C-N 3.34Å; V212-G214 PolarHBondContact O-N 3.02Å; V212-A215 PolarHBondContact O-N 2.83Å; V212-N216 WeakPolarHBondContact O-CB 3.35Å; V212-N216 VanDerWaalsContact O-CG 3.31Å; V212-N216 PolarHBondContact O-N 3.45Å; V212-N216 PolarHBondContact O-ND2 3.38Å; V212-F320 HydrophobicContact CG2-CZ 4.46Å; V212-Q325 VanDerWaalsContact CG1-OE1 3.22Å; V212-Q325 HydrophobicContact CG2-CB 4.25Å; V212-Y326 HydrophobicContact CG2-CD2 4.29Å; V212-T328 HydrophobicContact CG1-CG2 4.33Å; V212-T328 HydrophobicContact CG2-CG2 4.26Å
213	R	98.7	Very high	98	Very high	89 Å²	89	35.2 Å²	35.2	34%	0.336	17%	0.173	S	C	.	.	H	α-helix	trans	-59.3	-44.5	175.5	-176.3	-179.6	179.2	-174.7	-2.1	112.1	R200 N201 R209 S210 N216 T217	R200-R213 PolarHBondContact O-NH1 2.89Å; R200-R213 PolarHBondContact O-NH2 3Å; N201-R213 VanDerWaalsContact CA-NH1 3.29Å; N201-R213 VanDerWaalsContact OD1-CD 3.28Å; N201-R213 WeakPolarHBondContact OD1-CD 3.32Å; N201-R213 PolarHBondContact OD1-NH1 3.21Å; R209-R213 PolarHBondContact O-N 3.25Å; S210-R213 WeakPolarHBondContact O-CB 3.45Å; S210-R213 PolarHBondContact O-N 2.85Å; R213-N216 PolarHBondContact O-N 3.48Å; R213-T217 PolarHBondContact O-N 3.17Å; R213-T217 PolarHBondContact O-OG1 2.98Å
214	G	98.6	Very high	98.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-47.7	175.5	0	0	0	0	0	112.4	S210 R211 V212 N216 T217 A218	S210-G214 PolarHBondContact O-N 3.09Å; R211-G214 PolarHBondContact O-N 3.41Å; V212-G214 VanDerWaalsContact C-N 3.34Å; V212-G214 PolarHBondContact O-N 3.02Å; G214-N216 VanDerWaalsContact C-N 3.31Å; G214-N216 PolarHBondContact O-N 3.19Å; G214-T217 PolarHBondContact O-N 3.2Å; G214-T217 VanDerWaalsContact O-N 3.12Å; G214-A218 PolarHBondContact O-N 2.85Å
215	A	98.7	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-38.8	178	0	0	0	0	0	112.8	I144 R211 V212 T217 L223 F225 K317 F320	I144-A215 HydrophobicContact CD1-CB 4.23Å; R211-A215 WeakPolarHBondContact O-CB 3.3Å; R211-A215 PolarHBondContact O-N 3.06Å; V212-A215 PolarHBondContact O-N 2.83Å; A215-T217 VanDerWaalsContact C-N 3.31Å; A215-T217 PolarHBondContact O-N 3.49Å; A215-L223 HydrophobicContact CB-CD1 3.74Å; A215-F225 HydrophobicContact CB-CZ 4.21Å; A215-K317 VanDerWaalsContact O-CE 3.26Å; A215-K317 WeakPolarHBondContact O-CE 3.43Å; A215-F320 HydrophobicContact CB-CD1 3.92Å; A215-F320 HydrophobicContact CB-CE1 3.47Å; A215-F320 VanDerWaalsContact CB-CE1 3.47Å; A215-F320 HydrophobicContact CB-CZ 4.24Å
216	N	98.6	Very high	98.3	Very high	87 Å²	87	23.7 Å²	23.7	47%	0.465	13%	0.128	S	C	.	.	H	α-helix	trans	-66.5	-33.4	176.9	-75.3	-27.6	0	0	0	112.6	V212 R213 G214 Q325	V212-N216 WeakPolarHBondContact O-CB 3.35Å; V212-N216 VanDerWaalsContact O-CG 3.31Å; V212-N216 PolarHBondContact O-N 3.45Å; V212-N216 PolarHBondContact O-ND2 3.38Å; R213-N216 PolarHBondContact O-N 3.48Å; G214-N216 VanDerWaalsContact C-N 3.31Å; G214-N216 PolarHBondContact O-N 3.19Å; N216-Q325 PolarHBondContact OD1-NE2 3.26Å
217	T	98.1	Very high	98.4	Very high	52 Å²	52	25 Å²	25	32%	0.319	14%	0.135	S	C	.	.	H	α-helix	trans	-89.3	-19.8	-176.8	-51	0	0	0	0	113.2	L199 R213 G214 A215	L199-T217 HydrophobicContact CD1-CG2 3.7Å; R213-T217 PolarHBondContact O-N 3.17Å; R213-T217 PolarHBondContact O-OG1 2.98Å; G214-T217 PolarHBondContact O-N 3.2Å; G214-T217 VanDerWaalsContact O-N 3.12Å; A215-T217 VanDerWaalsContact C-N 3.31Å; A215-T217 PolarHBondContact O-N 3.49Å
218	A	98.7	Very high	98.5	Very high	3 Å²	3	24 Å²	24	3%	0.025	13%	0.131	C	C	.	.			trans	-54.3	134.8	177.1	0	0	0	0	0	112.4	I175 G214 L223 K317	I175-A218 HydrophobicContact CD1-CB 4.04Å; G214-A218 PolarHBondContact O-N 2.85Å; A218-L223 HydrophobicContact CB-CD2 3.54Å; A218-K317 PolarHBondContact O-NZ 3.43Å
219	S	98.4	Very high	98.6	Very high	74 Å²	74	25.3 Å²	25.3	52%	0.517	14%	0.137	S	C	.	.			trans	-94.1	-23	178.7	62.1	0	0	0	0	113.4	S142 Q172 E173	S142-S219 PolarHBondContact OG-N 3.42Å; Q172-S219 VanDerWaalsContact CG-OG 3.32Å; Q172-S219 WeakPolarHBondContact CG-OG 3.19Å; E173-S219 VanDerWaalsContact OE1-CB 3.3Å; E173-S219 WeakPolarHBondContact OE1-CB 3.45Å; E173-S219 PolarHBondContact OE1-N 3.17Å; E173-S219 PolarHBondContact OE1-OG 3.22Å
220	A	98.5	Very high	98.6	Very high	7 Å²	7	22.7 Å²	22.7	6%	0.058	13%	0.127	C	C	.	.	S	Bend	trans	-75.3	161.9	178.6	0	0	0	0	0	113	S142 Q172 K317	S142-A220 WeakPolarHBondContact OG-CB 3.48Å; S142-A220 PolarHBondContact OG-N 2.95Å; Q172-A220 HydrophobicContact CB-CB 3.88Å; Q172-A220 HydrophobicContact CG-CB 4.06Å; A220-K317 WeakPolarHBondContact O-CD 3.38Å
221	T	98.1	Very high	98.6	Very high	85 Å²	85	22.9 Å²	22.9	52%	0.521	13%	0.128	S	C	.	.	S	Bend	trans	-77.5	-24.7	173.3	53.5	0	0	0	0	112.7	K317	T221-K317 WeakPolarHBondContact O-CB 3.33Å; T221-K317 PolarHBondContact O-N 2.94Å
222	I	98.8	Very high	98.6	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.7	177.2	-63.2	-175.7	0	0	0	110.8	P139 T141 S142 I241 V244 V314	P139-I222 HydrophobicContact CB-CD1 4.24Å; P139-I222 HydrophobicContact CG-CD1 3.5Å; P139-I222 VanDerWaalsContact CG-CD1 3.5Å; P139-I222 HydrophobicContact CG-CG1 4.38Å; T141-I222 CarbonylContact C-O 3.6Å; T141-I222 WeakPolarHBondContact CA-O 3.46Å; T141-I222 WeakPolarHBondContact CB-O 3.34Å; T141-I222 PolarHBondContact OG1-O 3.01Å; S142-I222 PolarHBondContact N-O 3.35Å; I222-I241 HydrophobicContact CD1-CG2 3.77Å; I222-V244 HydrophobicContact CD1-CB 4.47Å; I222-V244 HydrophobicContact CD1-CG1 4.2Å; I222-V244 HydrophobicContact CG1-CG1 4.37Å; I222-V314 HydrophobicContact CG2-CG1 3.33Å
223	L	98.9	Very high	98.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.8	174.4	-54.1	-179.6	0	0	0	109.8	I144 A215 A218 F225 V314 M315 K317 F320	I144-L223 HydrophobicContact CD1-CB 4.48Å; I144-L223 HydrophobicContact CD1-CD2 4.07Å; A215-L223 HydrophobicContact CB-CD1 3.74Å; A218-L223 HydrophobicContact CB-CD2 3.54Å; L223-F225 HydrophobicContact CB-CD2 4.49Å; L223-F225 HydrophobicContact CB-CE2 3.8Å; L223-F225 HydrophobicContact CB-CZ 4.26Å; L223-F225 HydrophobicContact CD1-CE2 4.17Å; L223-F225 HydrophobicContact CD1-CZ 4.08Å; L223-V314 VanDerWaalsContact O-CA 3.3Å; L223-V314 WeakPolarHBondContact O-CA 3.38Å; L223-M315 PolarHBondContact N-O 3.48Å; L223-M315 PolarHBondContact O-N 3.16Å; L223-K317 HydrophobicContact CD1-CB 4.17Å; L223-K317 HydrophobicContact CD1-CG 4.14Å; L223-K317 HydrophobicContact CD2-CB 4.07Å; L223-K317 HydrophobicContact CD2-CD 4.16Å; L223-K317 HydrophobicContact CD2-CG 4.06Å; L223-K317 HydrophobicContact CG-CB 3.84Å; L223-K317 HydrophobicContact CG-CG 4.15Å; L223-F320 HydrophobicContact CD1-CB 4.05Å; L223-F320 HydrophobicContact CD1-CD1 3.92Å; L223-F320 HydrophobicContact CD1-CG 4.01Å
224	T	98.9	Very high	98.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.7	170.8	-63.1	0	0	0	0	108.6	T141 S142 I143 I144 L226 W236 V314	T141-T224 WeakPolarHBondContact CG2-OG1 3.39Å; T141-T224 WeakPolarHBondContact OG1-CB 3.27Å; T141-T224 PolarHBondContact OG1-N 2.95Å; T141-T224 PolarHBondContact OG1-OG1 2.96Å; S142-T224 PolarHBondContact O-N 2.85Å; I143-T224 CarbonylContact C-O 3.54Å; I143-T224 WeakPolarHBondContact CA-O 3.37Å; I143-T224 HydrophobicContact CG1-CG2 4.36Å; I144-T224 PolarHBondContact N-O 3.43Å; T224-L226 HydrophobicContact CG2-CG 4.48Å; T224-W236 HydrophobicContact CG2-CH2 3.76Å; T224-W236 HydrophobicContact CG2-CZ3 4.13Å; T224-V314 HydrophobicContact CG2-CG2 3.89Å; T224-V314 WeakPolarHBondContact OG1-CG2 3.24Å
225	F	98.9	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	134.6	176.5	-63.2	-87.6	0	0	0	110	I144 R211 A215 L223 I312 F313	I144-F225 HydrophobicContact CB-CD1 3.88Å; I144-F225 HydrophobicContact CB-CE1 4.04Å; I144-F225 HydrophobicContact CD1-CD1 4.21Å; I144-F225 HydrophobicContact CD1-CE1 3.58Å; I144-F225 HydrophobicContact CD1-CZ 3.85Å; I144-F225 HydrophobicContact CG1-CE1 4.44Å; I144-F225 HydrophobicContact CG2-CD1 4.01Å; I144-F225 HydrophobicContact CG2-CE1 4.02Å; R211-F225 HydrophobicContact CB-CD1 4.17Å; R211-F225 HydrophobicContact CB-CE1 3.81Å; R211-F225 HydrophobicContact CG-CD1 3.87Å; R211-F225 HydrophobicContact CG-CE1 4.05Å; A215-F225 HydrophobicContact CB-CZ 4.21Å; L223-F225 HydrophobicContact CB-CD2 4.49Å; L223-F225 HydrophobicContact CB-CE2 3.8Å; L223-F225 HydrophobicContact CB-CZ 4.26Å; L223-F225 HydrophobicContact CD1-CE2 4.17Å; L223-F225 HydrophobicContact CD1-CZ 4.08Å; F225-I312 WeakPolarHBondContact O-CA 3.29Å; F225-F313 HydrophobicContact CB-CD1 4.1Å; F225-F313 HydrophobicContact CB-CE1 3.84Å; F225-F313 HydrophobicContact CB-CZ 4.2Å; F225-F313 HydrophobicContact CD2-CD1 4.34Å; F225-F313 AromaticContact CD2-CD2 3.91Å; F225-F313 HydrophobicContact CD2-CD2 3.91Å; F225-F313 AromaticContact CD2-CE1 3.78Å; F225-F313 HydrophobicContact CD2-CE1 3.78Å; F225-F313 AromaticContact CD2-CE2 3.3Å; F225-F313 HydrophobicContact CD2-CE2 3.3Å; F225-F313 HydrophobicContact CD2-CG 4.41Å; F225-F313 AromaticContact CD2-CZ 3.22Å; F225-F313 HydrophobicContact CD2-CZ 3.22Å; F225-F313 AromaticContact CE2-CE2 3.6Å; F225-F313 HydrophobicContact CE2-CE2 3.6Å; F225-F313 AromaticContact CE2-CZ 3.63Å; F225-F313 HydrophobicContact CE2-CZ 3.63Å; F225-F313 AromaticContact CG-CE1 3.92Å; F225-F313 HydrophobicContact CG-CE1 3.92Å; F225-F313 HydrophobicContact CG-CE2 4.26Å; F225-F313 AromaticContact CG-CZ 3.77Å; F225-F313 HydrophobicContact CG-CZ 3.77Å; F225-F313 HydrophobicContact CZ-CZ 4.47Å; F225-F313 PolarHBondContact N-O 2.02Å; F225-F313 PolarHBondContact O-N 2.81Å
226	L	98.8	Very high	98	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.4	174.5	-74.5	173.3	0	0	0	109.6	I143 I144 I145 V162 T224 V232 W236 I312 V359	I143-L226 HydrophobicContact CG2-CD1 3.88Å; I143-L226 HydrophobicContact CG2-CG 4.48Å; I144-L226 PolarHBondContact O-N 3.28Å; I144-L226 VanDerWaalsContact O-N 3.1Å; I145-L226 WeakPolarHBondContact CA-O 3.31Å; I145-L226 HydrophobicContact CG1-CB 3.96Å; V162-L226 HydrophobicContact CG2-CD1 3.52Å; T224-L226 HydrophobicContact CG2-CG 4.48Å; L226-V232 HydrophobicContact CD1-CG1 4.2Å; L226-V232 HydrophobicContact CD2-CG1 4.38Å; L226-W236 HydrophobicContact CD1-CH2 3.77Å; L226-W236 HydrophobicContact CD1-CZ2 4.47Å; L226-W236 HydrophobicContact CD1-CZ3 4.35Å; L226-W236 HydrophobicContact CD2-CH2 4.24Å; L226-W236 HydrophobicContact CD2-CZ3 4Å; L226-W236 HydrophobicContact CG-CH2 4.26Å; L226-W236 HydrophobicContact CG-CZ3 4.47Å; L226-I312 HydrophobicContact CD2-CB 4.44Å; L226-I312 HydrophobicContact CD2-CG1 4.16Å; L226-I312 HydrophobicContact CD2-CG2 3.58Å; L226-V359 HydrophobicContact CD2-CG1 4.19Å
227	D	98.4	Very high	98	Very high	28 Å²	28	18.1 Å²	18.1	15%	0.15	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	156.7	165.8	-69.7	-20.8	0	0	0	110.3	R211 H229 C230 G311 H361	R211-D227 IonicContact NH2-OD1 2.75Å; R211-D227 PolarHBondContact NH2-OD1 3.21Å; D227-H229 PolarHBondContact O-N 3.23Å; D227-H229 VanDerWaalsContact O-N 3.09Å; D227-C230 PolarHBondContact O-SG 3.11Å; D227-G311 VanDerWaalsContact OD2-CA 3.26Å; D227-G311 WeakPolarHBondContact OD2-CA 3.26Å; D227-H361 IonicContact OD2-CD2 2.89Å; D227-H361 IonicContact OD2-NE2 2.87Å
228	S	98.4	Very high	98	Very high	7 Å²	7	16.6 Å²	16.6	5%	0.049	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	4.2	-170.9	51.4	0	0	0	0	116.1	E150 T154 L155 T158	E150-S228 PolarHBondContact OE2-OG 2.82Å; T154-S228 CarbonylContact C-O 3.49Å; L155-S228 WeakPolarHBondContact CA-O 3.45Å; L155-S228 PolarHBondContact N-O 3.3Å; T158-S228 VanDerWaalsContact OG1-C 3.25Å; T158-S228 PolarHBondContact OG1-O 2.59Å
229	H	98.4	Very high	98	Very high	28 Å²	28	16.9 Å²	16.9	13%	0.13	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	51.8	-176.5	41.6	-82.5	0	0	0	109.9	E150 T154 T158 D227 H361 V362 R364	E150-H229 IonicContact OE2-CE1 2.99Å; E150-H229 IonicContact OE2-CG 3.12Å; E150-H229 IonicContact OE2-ND1 3.79Å; E150-H229 PolarHBondContact OE2-ND1 3.02Å; T154-H229 HydrophobicContact CG2-CB 4.26Å; T158-H229 PolarHBondContact OG1-N 2.94Å; D227-H229 PolarHBondContact O-N 3.23Å; D227-H229 VanDerWaalsContact O-N 3.09Å; H229-H361 AromaticContact CD2-CD2 3.86Å; H229-H361 AromaticContact CD2-CE1 3.97Å; H229-H361 AromaticContact CD2-NE2 3.41Å; H229-H361 PolarHBondContact CD2-NE2 3.38Å; H229-H361 AromaticContact NE2-CE1 3.88Å; H229-H361 AromaticContact NE2-NE2 3.27Å; H229-H361 PolarHBondContact NE2-NE2 2.75Å; H229-V362 HydrophobicContact CB-CB 4.23Å; H229-V362 HydrophobicContact CB-CG2 4.14Å; H229-V362 PolarHBondContact O-N 3.32Å; H229-R364 PolarHBondContact CE1-NH2 3.41Å; H229-R364 PolarHBondContact ND1-NH2 3.04Å; H229-R364 PolarHBondContact NE2-NH2 3.19Å
230	C	98.7	Very high	98	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	156.4	178.4	-62.6	0	0	0	0	111.7	T158 D227 V359 G360	T158-C230 WeakPolarHBondContact CA-O 3.38Å; T158-C230 WeakPolarHBondContact CB-O 3.36Å; T158-C230 HydrophobicContact CG2-CB 4.11Å; T158-C230 PolarHBondContact OG1-N 3.13Å; T158-C230 PolarHBondContact OG1-O 2.94Å; D227-C230 PolarHBondContact O-SG 3.11Å; C230-V359 HydrophobicContact CB-CG1 3.87Å; C230-G360 CarbonylContact C-O 3.59Å; C230-G360 WeakPolarHBondContact CA-O 3.21Å; C230-G360 WeakPolarHBondContact CB-O 3.4Å
231	E	98.7	Very high	98	Very high	3 Å²	3	13 Å²	13	1%	0.014	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	110.3	166.1	-67.9	178.5	-130.7	0	0	109	R119 I121 R157 I259 Y266 G360	R119-E231 IonicContact CZ-OE1 3.85Å; R119-E231 VanDerWaalsContact CZ-OE1 3.27Å; R119-E231 IonicContact CZ-OE2 3.27Å; R119-E231 IonicContact NE-OE1 2.76Å; R119-E231 PolarHBondContact NE-OE1 2.89Å; R119-E231 VanDerWaalsContact NE-OE1 3.12Å; R119-E231 IonicContact NE-OE2 3.64Å; R119-E231 PolarHBondContact NE-OE2 2.63Å; R119-E231 VanDerWaalsContact NH2-CD 3.35Å; R119-E231 IonicContact NH2-OE1 3.86Å; R119-E231 PolarHBondContact NH2-OE1 2.77Å; R119-E231 IonicContact NH2-OE2 2.7Å; R119-E231 PolarHBondContact NH2-OE2 3.01Å; I121-E231 WeakPolarHBondContact CG2-OE2 3.36Å; R157-E231 WeakPolarHBondContact CD-OE1 3.45Å; R157-E231 HydrophobicContact CG-CG 3.9Å; R157-E231 IonicContact CZ-OE1 3.49Å; R157-E231 IonicContact NE-OE1 2.7Å; R157-E231 PolarHBondContact NE-OE1 3.18Å; E231-I259 HydrophobicContact CB-CD1 3.9Å; E231-I259 HydrophobicContact CG-CD1 3.85Å; E231-Y266 HydrophobicContact CB-CD2 4.49Å; E231-Y266 HydrophobicContact CB-CE2 4.25Å; E231-G360 PolarHBondContact N-O 2.86Å; E231-G360 PolarHBondContact O-N 2.83Å
232	V	98.6	Very high	98	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	144.7	-177.8	-53.6	0	0	0	0	110.7	S161 V162 R165 L226 W236 V359	S161-V232 VanDerWaalsContact C-CG2 3.44Å; S161-V232 VanDerWaalsContact O-CG2 3.25Å; S161-V232 WeakPolarHBondContact O-CG2 3.34Å; S161-V232 PolarHBondContact OG-N 3.06Å; V162-V232 HydrophobicContact CG2-CG1 4Å; V162-V232 HydrophobicContact CG2-CG2 4.35Å; R165-V232 HydrophobicContact CB-CG2 4.15Å; R165-V232 WeakPolarHBondContact CD-O 3.49Å; R165-V232 PolarHBondContact NH1-O 3Å; L226-V232 HydrophobicContact CD1-CG1 4.2Å; L226-V232 HydrophobicContact CD2-CG1 4.38Å; V232-W236 HydrophobicContact CB-CB 4.41Å; V232-W236 HydrophobicContact CB-CD2 3.55Å; V232-W236 HydrophobicContact CB-CE3 4.12Å; V232-W236 HydrophobicContact CB-CG 3.63Å; V232-W236 HydrophobicContact CB-CZ2 4.28Å; V232-W236 HydrophobicContact CG1-CD2 3.69Å; V232-W236 HydrophobicContact CG1-CE3 3.83Å; V232-W236 HydrophobicContact CG1-CG 4.32Å; V232-W236 HydrophobicContact CG1-CH2 3.93Å; V232-W236 HydrophobicContact CG1-CZ2 3.79Å; V232-W236 HydrophobicContact CG1-CZ3 3.93Å; V232-W236 HydrophobicContact CG2-CD2 4.16Å; V232-W236 HydrophobicContact CG2-CG 4.11Å; V232-W236 HydrophobicContact CG2-CZ2 4.38Å; V232-V359 HydrophobicContact CB-CG2 4.32Å; V232-V359 HydrophobicContact CG1-CG1 4.08Å; V232-V359 HydrophobicContact CG1-CG2 4.05Å
233	N	97.6	Very high	98	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.			trans	-92.8	179.9	179.6	-142.7	-42.8	0	0	0	112	T69 I121 R122 T124 W236 Y266 R358	T69-N233 VanDerWaalsContact CG2-OD1 3.26Å; T69-N233 WeakPolarHBondContact CG2-OD1 3.31Å; I121-N233 HydrophobicContact CD1-CB 4.35Å; R122-N233 PolarHBondContact O-ND2 2.88Å; T124-N233 PolarHBondContact OG1-ND2 3.1Å; N233-W236 WeakPolarHBondContact O-CB 3.42Å; N233-W236 VanDerWaalsContact O-CD1 3.3Å; N233-W236 PolarHBondContact O-N 3.04Å; N233-Y266 PolarHBondContact ND2-OH 3.41Å; N233-R358 HydrophobicContact CB-CB 3.67Å; N233-R358 VanDerWaalsContact CB-O 3.26Å; N233-R358 WeakPolarHBondContact CB-O 3.45Å; N233-R358 PolarHBondContact N-O 2.8Å
234	A	93.4	Very high	98	Very high	22 Å²	22	12.2 Å²	12.2	18%	0.182	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	137.5	176.6	0	0	0	0	0	112.2	T69 R125 W236	T69-A234 HydrophobicContact CG2-CB 4.26Å; R125-A234 VanDerWaalsContact CD-O 3.3Å; R125-A234 WeakPolarHBondContact CD-O 3.47Å; R125-A234 PolarHBondContact NE-O 3.05Å; R125-A234 PolarHBondContact NH1-O 3.03Å; R125-A234 VanDerWaalsContact NH1-O 3.15Å; A234-W236 PolarHBondContact O-N 2.57Å; A234-W236 VanDerWaalsContact O-N 3.07Å
235	D	93.6	Very high	97.9	Very high	65 Å²	65	16.5 Å²	16.5	35%	0.348	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.1	34.7	-178.3	-44.8	-56.1	0	0	0	114.6	R125 L237 Q238 P239	R125-D235 IonicContact CZ-OD2 2.92Å; R125-D235 VanDerWaalsContact NH1-CB 3.31Å; R125-D235 IonicContact NH1-OD2 3.75Å; R125-D235 PolarHBondContact NH1-OD2 2.84Å; R125-D235 IonicContact NH2-OD2 3.62Å; D235-L237 VanDerWaalsContact C-N 3.27Å; D235-L237 PolarHBondContact O-N 2.85Å; D235-Q238 PolarHBondContact OD1-NE2 2.88Å; D235-Q238 VanDerWaalsContact OD1-NE2 3.09Å; D235-P239 WeakPolarHBondContact O-CD 3.41Å; D235-P239 WeakPolarHBondContact O-CG 3.45Å
236	W	97.9	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.			trans	-65.4	-33	-179.7	74.3	-69.7	0	0	0	112.2	V162 S166 T224 L226 V232 N233 A234 M240 S357 V359	V162-W236 HydrophobicContact CG2-CZ2 4.14Å; S166-W236 PolarHBondContact OG-NE1 3.23Å; T224-W236 HydrophobicContact CG2-CH2 3.76Å; T224-W236 HydrophobicContact CG2-CZ3 4.13Å; L226-W236 HydrophobicContact CD1-CH2 3.77Å; L226-W236 HydrophobicContact CD1-CZ2 4.47Å; L226-W236 HydrophobicContact CD1-CZ3 4.35Å; L226-W236 HydrophobicContact CD2-CH2 4.24Å; L226-W236 HydrophobicContact CD2-CZ3 4Å; L226-W236 HydrophobicContact CG-CH2 4.26Å; L226-W236 HydrophobicContact CG-CZ3 4.47Å; V232-W236 HydrophobicContact CB-CB 4.41Å; V232-W236 HydrophobicContact CB-CD2 3.55Å; V232-W236 HydrophobicContact CB-CE3 4.12Å; V232-W236 HydrophobicContact CB-CG 3.63Å; V232-W236 HydrophobicContact CB-CZ2 4.28Å; V232-W236 HydrophobicContact CG1-CD2 3.69Å; V232-W236 HydrophobicContact CG1-CE3 3.83Å; V232-W236 HydrophobicContact CG1-CG 4.32Å; V232-W236 HydrophobicContact CG1-CH2 3.93Å; V232-W236 HydrophobicContact CG1-CZ2 3.79Å; V232-W236 HydrophobicContact CG1-CZ3 3.93Å; V232-W236 HydrophobicContact CG2-CD2 4.16Å; V232-W236 HydrophobicContact CG2-CG 4.11Å; V232-W236 HydrophobicContact CG2-CZ2 4.38Å; N233-W236 WeakPolarHBondContact O-CB 3.42Å; N233-W236 VanDerWaalsContact O-CD1 3.3Å; N233-W236 PolarHBondContact O-N 3.04Å; A234-W236 PolarHBondContact O-N 2.57Å; A234-W236 VanDerWaalsContact O-N 3.07Å; W236-M240 HydrophobicContact CD2-CE 4.23Å; W236-M240 HydrophobicContact CE3-CE 3.25Å; W236-M240 HydrophobicContact CH2-CE 4.39Å; W236-M240 HydrophobicContact CZ3-CE 3.37Å; W236-M240 WeakPolarHBondContact O-CE 3.14Å; W236-S357 VanDerWaalsContact O-CB 3.29Å; W236-S357 WeakPolarHBondContact O-CB 3.47Å; W236-S357 PolarHBondContact O-OG 3.02Å; W236-V359 HydrophobicContact CD2-CG2 4.25Å; W236-V359 HydrophobicContact CE3-CG2 3.48Å; W236-V359 VanDerWaalsContact CE3-CG2 3.48Å; W236-V359 HydrophobicContact CZ3-CG2 4.08Å
237	L	98.2	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-85.8	-44	-165.2	-173.1	58.5	0	0	0	113	T141 L170 D235 M240 I241	T141-L237 HydrophobicContact CG2-CD1 4.12Å; T141-L237 HydrophobicContact CG2-CD2 4.04Å; L170-L237 HydrophobicContact CB-CD2 4.01Å; D235-L237 VanDerWaalsContact C-N 3.27Å; D235-L237 PolarHBondContact O-N 2.85Å; L237-M240 HydrophobicContact CD1-CE 4.31Å; L237-M240 PolarHBondContact O-N 3.4Å; L237-I241 HydrophobicContact CD1-CD1 3.86Å; L237-I241 HydrophobicContact CD1-CG1 4Å; L237-I241 HydrophobicContact CD2-CD1 3.95Å; L237-I241 HydrophobicContact CG-CD1 3.57Å; L237-I241 HydrophobicContact CG-CG1 4.07Å; L237-I241 PolarHBondContact O-N 3.03Å
238	Q	97.6	Very high	97.9	Very high	21 Å²	21	26.4 Å²	26.4	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-54.3	-49.2	-176.8	-58.2	93	-59.8	0	0	113.2	Y134 L138 P167 L170 D235 M240 I241 Q242	Y134-Q238 HydrophobicContact CD2-CB 3.61Å; Y134-Q238 HydrophobicContact CD2-CG 4.48Å; Y134-Q238 HydrophobicContact CE2-CB 3.96Å; Y134-Q238 HydrophobicContact CG-CB 3.91Å; L138-Q238 HydrophobicContact CD1-CB 3.93Å; L138-Q238 HydrophobicContact CD1-CG 4.19Å; P167-Q238 HydrophobicContact CG-CG 4.33Å; L170-Q238 HydrophobicContact CD1-CG 3.88Å; D235-Q238 PolarHBondContact OD1-NE2 2.88Å; D235-Q238 VanDerWaalsContact OD1-NE2 3.09Å; Q238-M240 VanDerWaalsContact C-N 3.27Å; Q238-M240 PolarHBondContact O-N 3.11Å; Q238-I241 PolarHBondContact O-N 2.86Å; Q238-Q242 WeakPolarHBondContact O-CB 3.46Å; Q238-Q242 PolarHBondContact O-N 2.93Å
239	P	98.3	Very high	97.9	Very high	8 Å²	8	27.2 Å²	27.2	5%	0.052	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-36.1	176.3	10	-18.2	0	0	0	113.1	Y134 D235 R243 L354	Y134-P239 VanDerWaalsContact CE1-CA 3.46Å; Y134-P239 HydrophobicContact CE1-CB 3.71Å; Y134-P239 HydrophobicContact CE1-CG 4.28Å; Y134-P239 WeakPolarHBondContact OH-CB 3.37Å; Y134-P239 WeakPolarHBondContact OH-CG 3.24Å; D235-P239 WeakPolarHBondContact O-CD 3.41Å; D235-P239 WeakPolarHBondContact O-CG 3.45Å; P239-R243 VanDerWaalsContact O-CG 3.29Å; P239-R243 WeakPolarHBondContact O-CG 3.27Å; P239-R243 PolarHBondContact O-N 2.85Å; P239-L354 HydrophobicContact CB-CD1 4.3Å; P239-L354 VanDerWaalsContact O-CD1 3.28Å; P239-L354 WeakPolarHBondContact O-CD1 3.44Å
240	M	98.6	Very high	97.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.2	-45.8	178.5	-68.5	-169.9	-62.3	0	0	112.3	W236 L237 Q238 Q242 R243 V244 V252 P254 V314 L354	W236-M240 HydrophobicContact CD2-CE 4.23Å; W236-M240 HydrophobicContact CE3-CE 3.25Å; W236-M240 HydrophobicContact CH2-CE 4.39Å; W236-M240 HydrophobicContact CZ3-CE 3.37Å; W236-M240 WeakPolarHBondContact O-CE 3.14Å; L237-M240 HydrophobicContact CD1-CE 4.31Å; L237-M240 PolarHBondContact O-N 3.4Å; Q238-M240 VanDerWaalsContact C-N 3.27Å; Q238-M240 PolarHBondContact O-N 3.11Å; M240-Q242 PolarHBondContact O-N 2.7Å; M240-R243 PolarHBondContact O-N 2.76Å; M240-V244 PolarHBondContact O-N 2.74Å; M240-V252 HydrophobicContact CB-CG2 3.69Å; M240-V252 HydrophobicContact CG-CG2 3.93Å; M240-P254 HydrophobicContact SD-CB 4.37Å; M240-P254 HydrophobicContact SD-CG 4.5Å; M240-V314 HydrophobicContact CB-CB 4.12Å; M240-V314 HydrophobicContact CB-CG2 3.75Å; M240-V314 HydrophobicContact CE-CG2 3.64Å; M240-V314 HydrophobicContact CG-CG2 4.3Å; M240-V314 HydrophobicContact SD-CG2 3.66Å; M240-L354 HydrophobicContact CB-CD1 4.26Å; M240-L354 HydrophobicContact CG-CD1 3.78Å
241	I	98.6	Very high	98	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64	-41.6	178.9	-67.1	-177.8	0	0	0	111.1	L138 P139 T141 L170 I222 L237 Q238 R243 V244 K245	L138-I241 HydrophobicContact CB-CG2 3.9Å; L138-I241 HydrophobicContact CD1-CB 4.5Å; L138-I241 HydrophobicContact CD1-CG2 4.39Å; L138-I241 HydrophobicContact CD2-CG2 4.16Å; L138-I241 HydrophobicContact CG-CG2 4.37Å; P139-I241 HydrophobicContact CG-CG2 3.9Å; P139-I241 WeakPolarHBondContact O-CG2 3.48Å; T141-I241 HydrophobicContact CG2-CD1 4.02Å; L170-I241 HydrophobicContact CB-CD1 4.31Å; L170-I241 HydrophobicContact CD1-CD1 4.37Å; I222-I241 HydrophobicContact CD1-CG2 3.77Å; L237-I241 HydrophobicContact CD1-CD1 3.86Å; L237-I241 HydrophobicContact CD1-CG1 4Å; L237-I241 HydrophobicContact CD2-CD1 3.95Å; L237-I241 HydrophobicContact CG-CD1 3.57Å; L237-I241 HydrophobicContact CG-CG1 4.07Å; L237-I241 PolarHBondContact O-N 3.03Å; Q238-I241 PolarHBondContact O-N 2.86Å; I241-R243 VanDerWaalsContact C-N 3.31Å; I241-R243 PolarHBondContact O-N 2.94Å; I241-V244 PolarHBondContact O-N 3.35Å; I241-K245 WeakPolarHBondContact O-CB 3.47Å; I241-K245 PolarHBondContact O-N 2.74Å
242	Q	98.4	Very high	98	Very high	20 Å²	20	27.7 Å²	27.7	9%	0.093	13%	0.134	C	C	.	.	H	α-helix	trans	-54.2	-47.7	176.2	179.3	69.3	37.1	0	0	111.3	Y134 L138 Q238 M240 V244 K245 E246	Y134-Q242 HydrophobicContact CD1-CB 4.01Å; Y134-Q242 HydrophobicContact CD1-CG 4.18Å; L138-Q242 HydrophobicContact CD2-CB 4.31Å; Q238-Q242 WeakPolarHBondContact O-CB 3.46Å; Q238-Q242 PolarHBondContact O-N 2.93Å; M240-Q242 PolarHBondContact O-N 2.7Å; Q242-V244 PolarHBondContact O-N 2.95Å; Q242-K245 PolarHBondContact O-N 3.36Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.21Å; Q242-E246 PolarHBondContact NE2-OE1 2.88Å; Q242-E246 VanDerWaalsContact O-CG 3.32Å; Q242-E246 WeakPolarHBondContact O-CG 3.45Å; Q242-E246 PolarHBondContact O-N 3.07Å
243	R	98.5	Very high	98	Very high	50 Å²	50	28 Å²	28	19%	0.189	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-39.3	-177.5	-67.8	-59.6	-61.3	165.2	-8.4	113.4	P239 M240 I241 E246 D247 R250 V252 E352 L354	P239-R243 VanDerWaalsContact O-CG 3.29Å; P239-R243 WeakPolarHBondContact O-CG 3.27Å; P239-R243 PolarHBondContact O-N 2.85Å; M240-R243 PolarHBondContact O-N 2.76Å; I241-R243 VanDerWaalsContact C-N 3.31Å; I241-R243 PolarHBondContact O-N 2.94Å; R243-E246 IonicContact CZ-OE2 2.82Å; R243-E246 IonicContact NE-OE2 3.64Å; R243-E246 IonicContact NH1-OE2 3.55Å; R243-E246 PolarHBondContact NH1-OE2 2.78Å; R243-D247 PolarHBondContact O-N 3.3Å; R243-R250 VanDerWaalsContact NH1-NH1 3.18Å; R243-R250 PolarHBondContact O-NH1 2.8Å; R243-V252 HydrophobicContact CB-CG1 3.82Å; R243-E352 IonicContact CZ-OE1 2.64Å; R243-E352 IonicContact CZ-OE2 3.93Å; R243-E352 IonicContact NE-OE2 3.49Å; R243-E352 PolarHBondContact NE-OE2 3.01Å; R243-E352 IonicContact NH2-OE1 3.76Å; R243-E352 PolarHBondContact NH2-OE1 3.39Å; R243-E352 IonicContact NH2-OE2 3.3Å; R243-E352 PolarHBondContact NH2-OE2 2.69Å; R243-E352 VanDerWaalsContact NH2-OE2 3.12Å; R243-L354 HydrophobicContact CB-CD1 4.29Å; R243-L354 HydrophobicContact CG-CD1 3.66Å; R243-L354 HydrophobicContact CG-CD2 3.93Å; R243-L354 HydrophobicContact CG-CG 4.48Å
244	V	98.8	Very high	98	Very high	2 Å²	2	28 Å²	28	1%	0.012	14%	0.136	C	C	.	.	H	α-helix	trans	-72.5	-35.9	176.6	176.7	0	0	0	0	111.2	I222 M240 I241 Q242 D247 H248 V252 V314 D316	I222-V244 HydrophobicContact CD1-CB 4.47Å; I222-V244 HydrophobicContact CD1-CG1 4.2Å; I222-V244 HydrophobicContact CG1-CG1 4.37Å; M240-V244 PolarHBondContact O-N 2.74Å; I241-V244 PolarHBondContact O-N 3.35Å; Q242-V244 PolarHBondContact O-N 2.95Å; V244-D247 CarbonylContact O-C 3.49Å; V244-D247 PolarHBondContact O-N 3.27Å; V244-H248 VanDerWaalsContact O-CA 3.32Å; V244-H248 WeakPolarHBondContact O-CA 3.4Å; V244-H248 PolarHBondContact O-N 2.8Å; V244-H248 VanDerWaalsContact O-N 3.17Å; V244-V252 HydrophobicContact CG2-CG1 4.5Å; V244-V252 HydrophobicContact CG2-CG2 3.91Å; V244-V314 HydrophobicContact CG2-CG1 4.1Å; V244-D316 HydrophobicContact CG1-CB 3.86Å
245	K	98.2	Very high	98.3	Very high	91 Å²	91	27.4 Å²	27.4	40%	0.396	13%	0.129	S	C	.	.	H	α-helix	trans	-62.3	-43.4	174.4	-178.8	-171.1	177.5	-173.7	0	111.8	D135 E137 L138 I241 Q242 D247	D135-K245 WeakPolarHBondContact OD2-CE 3.39Å; D135-K245 IonicContact OD2-NZ 2.73Å; D135-K245 PolarHBondContact OD2-NZ 3.48Å; E137-K245 PolarHBondContact O-NZ 3.39Å; L138-K245 HydrophobicContact CD2-CD 4Å; I241-K245 WeakPolarHBondContact O-CB 3.47Å; I241-K245 PolarHBondContact O-N 2.74Å; Q242-K245 PolarHBondContact O-N 3.36Å; K245-D247 VanDerWaalsContact C-N 3.27Å; K245-D247 PolarHBondContact O-N 2.73Å
246	E	98.3	Very high	98.5	Very high	96 Å²	96	25 Å²	25	45%	0.449	12%	0.117	S	C	.	.	H	α-helix	trans	-64.5	-31.2	178.8	-74.8	167.5	-174.1	0	0	113.1	Q242 R243 R250	Q242-E246 WeakPolarHBondContact CG-OE1 3.21Å; Q242-E246 PolarHBondContact NE2-OE1 2.88Å; Q242-E246 VanDerWaalsContact O-CG 3.32Å; Q242-E246 WeakPolarHBondContact O-CG 3.45Å; Q242-E246 PolarHBondContact O-N 3.07Å; R243-E246 IonicContact CZ-OE2 2.82Å; R243-E246 IonicContact NE-OE2 3.64Å; R243-E246 IonicContact NH1-OE2 3.55Å; R243-E246 PolarHBondContact NH1-OE2 2.78Å; E246-R250 VanDerWaalsContact CB-NH1 3.33Å; E246-R250 IonicContact OE2-NH1 3.36Å; E246-R250 PolarHBondContact OE2-NH1 3.18Å; E246-R250 VanDerWaalsContact OE2-NH1 3.11Å
247	D	98.7	Very high	98.5	Very high	48 Å²	48	25 Å²	25	26%	0.257	12%	0.117	S	C	.	.			trans	-158.8	104.2	-179.6	177.5	-6.4	0	0	0	108.9	R243 V244 K245 T249 R250	R243-D247 PolarHBondContact O-N 3.3Å; V244-D247 CarbonylContact O-C 3.49Å; V244-D247 PolarHBondContact O-N 3.27Å; K245-D247 VanDerWaalsContact C-N 3.27Å; K245-D247 PolarHBondContact O-N 2.73Å; D247-T249 PolarHBondContact O-N 2.7Å; D247-T249 WeakPolarHBondContact OD1-CB 3.41Å; D247-T249 PolarHBondContact OD1-N 3.31Å; D247-T249 PolarHBondContact OD1-OG1 3.1Å; D247-R250 HydrophobicContact CB-CG 3.91Å; D247-R250 VanDerWaalsContact CB-NE 3.29Å; D247-R250 WeakPolarHBondContact O-CB 3.29Å; D247-R250 PolarHBondContact O-N 2.93Å; D247-R250 IonicContact OD2-CZ 3.36Å; D247-R250 IonicContact OD2-NE 3.27Å; D247-R250 PolarHBondContact OD2-NE 2.83Å; D247-R250 IonicContact OD2-NH2 2.82Å
248	H	98.6	Very high	98.5	Very high	93 Å²	93	27.6 Å²	27.6	43%	0.431	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-10.5	-174.9	75.3	88.2	0	0	0	113.4	V244 D316 W319	V244-H248 VanDerWaalsContact O-CA 3.32Å; V244-H248 WeakPolarHBondContact O-CA 3.4Å; V244-H248 PolarHBondContact O-N 2.8Å; V244-H248 VanDerWaalsContact O-N 3.17Å; H248-D316 HydrophobicContact CB-CB 3.91Å; H248-D316 WeakPolarHBondContact O-CB 3.05Å; H248-W319 WeakPolarHBondContact O-CB 3.46Å
249	T	98.8	Very high	98.6	Very high	24 Å²	24	26.7 Å²	26.7	15%	0.147	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.5	177.4	74.5	0	0	0	0	113.4	D247 W319 G349 S350	D247-T249 PolarHBondContact O-N 2.7Å; D247-T249 WeakPolarHBondContact OD1-CB 3.41Å; D247-T249 PolarHBondContact OD1-N 3.31Å; D247-T249 PolarHBondContact OD1-OG1 3.1Å; T249-W319 HydrophobicContact CG2-CD2 4.41Å; T249-W319 HydrophobicContact CG2-CE3 4.45Å; T249-W319 HydrophobicContact CG2-CH2 4.42Å; T249-W319 HydrophobicContact CG2-CZ2 4.34Å; T249-W319 HydrophobicContact CG2-CZ3 4.44Å; T249-W319 PolarHBondContact O-NE1 3.21Å; T249-W319 VanDerWaalsContact O-NE1 3.11Å; T249-G349 WeakPolarHBondContact O-CA 3.35Å; T249-S350 PolarHBondContact O-N 3.04Å
250	R	98.9	Very high	98.5	Very high	42 Å²	42	27.2 Å²	27.2	16%	0.158	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	136.5	176.6	-63.1	178.3	-166.6	147.3	1.5	110.9	R243 E246 D247 V252 E352	R243-R250 VanDerWaalsContact NH1-NH1 3.18Å; R243-R250 PolarHBondContact O-NH1 2.8Å; E246-R250 VanDerWaalsContact CB-NH1 3.33Å; E246-R250 IonicContact OE2-NH1 3.36Å; E246-R250 PolarHBondContact OE2-NH1 3.18Å; E246-R250 VanDerWaalsContact OE2-NH1 3.11Å; D247-R250 HydrophobicContact CB-CG 3.91Å; D247-R250 VanDerWaalsContact CB-NE 3.29Å; D247-R250 WeakPolarHBondContact O-CB 3.29Å; D247-R250 PolarHBondContact O-N 2.93Å; D247-R250 IonicContact OD2-CZ 3.36Å; D247-R250 IonicContact OD2-NE 3.27Å; D247-R250 PolarHBondContact OD2-NE 2.83Å; D247-R250 IonicContact OD2-NH2 2.82Å; R250-V252 HydrophobicContact CB-CG1 4.22Å; R250-E352 IonicContact NE-OE1 2.69Å
251	V	98.9	Very high	98.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.7	169	179.8	0	0	0	0	106.9	I308 F313 M315 V344 S350 L351 E352	V251-I308 HydrophobicContact CG1-CD1 4.47Å; V251-F313 HydrophobicContact CG1-CB 4.27Å; V251-F313 HydrophobicContact CG1-CD2 3.76Å; V251-F313 HydrophobicContact CG1-CG 4.32Å; V251-M315 HydrophobicContact CG1-CB 4.48Å; V251-M315 HydrophobicContact CG2-CB 4.28Å; V251-M315 HydrophobicContact CG2-CE 3.78Å; V251-M315 HydrophobicContact CG2-CG 3.78Å; V251-M315 HydrophobicContact CG2-SD 3.62Å; V251-V344 HydrophobicContact CG2-CG1 4.02Å; V251-V344 HydrophobicContact CG2-CG2 3.84Å; V251-S350 PolarHBondContact N-O 3.28Å; V251-L351 HydrophobicContact CB-CD2 3.6Å; V251-L351 HydrophobicContact CG1-CD2 3.84Å; V251-L351 HydrophobicContact CG2-CD2 4.36Å; V251-L351 VanDerWaalsContact O-CA 3.29Å; V251-L351 WeakPolarHBondContact O-CA 3.47Å; V251-E352 PolarHBondContact O-N 2.92Å
252	V	98.9	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.4	-168.9	-56.7	0	0	0	0	111.5	M240 R243 V244 R250 F313 V314 E352 L354	M240-V252 HydrophobicContact CB-CG2 3.69Å; M240-V252 HydrophobicContact CG-CG2 3.93Å; R243-V252 HydrophobicContact CB-CG1 3.82Å; V244-V252 HydrophobicContact CG2-CG1 4.5Å; V244-V252 HydrophobicContact CG2-CG2 3.91Å; R250-V252 HydrophobicContact CB-CG1 4.22Å; V252-F313 CarbonylContact O-C 3.08Å; V252-F313 WeakPolarHBondContact O-CA 3.41Å; V252-F313 WeakPolarHBondContact O-CB 3.39Å; V252-V314 HydrophobicContact CG2-CB 3.88Å; V252-V314 PolarHBondContact N-O 2.97Å; V252-V314 PolarHBondContact O-N 2.63Å; V252-E352 CarbonylContact C-O 3.58Å; V252-E352 WeakPolarHBondContact CA-O 3.48Å; V252-E352 HydrophobicContact CG1-CB 4.1Å; V252-L354 HydrophobicContact CB-CD1 4.08Å; V252-L354 HydrophobicContact CB-CG 4.21Å; V252-L354 HydrophobicContact CG1-CD1 4.49Å; V252-L354 HydrophobicContact CG2-CD1 4.22Å
253	S	98.8	Very high	98.3	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.035	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.1	177.2	-73.7	0	0	0	0	110.5	I312 E352 I353 L354	S253-I312 WeakPolarHBondContact CB-O 3.4Å; S253-I312 PolarHBondContact OG-O 2.94Å; S253-E352 PolarHBondContact N-O 2.81Å; S253-I353 CarbonylContact O-C 3.49Å; S253-I353 VanDerWaalsContact O-CA 3.3Å; S253-I353 WeakPolarHBondContact O-CA 3.37Å; S253-L354 PolarHBondContact O-N 2.78Å
254	P	98.7	Very high	98.2	Very high	2 Å²	2	33 Å²	33	1%	0.013	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	168.7	169.6	34.2	-36.4	0	0	0	110.7	M240 I256 I312 S357 V359	M240-P254 HydrophobicContact SD-CB 4.37Å; M240-P254 HydrophobicContact SD-CG 4.5Å; P254-I256 HydrophobicContact CG-CG1 4.43Å; P254-I256 PolarHBondContact O-N 2.62Å; P254-I312 HydrophobicContact CG-CB 4.22Å; P254-I312 HydrophobicContact CG-CG2 3.53Å; P254-S357 WeakPolarHBondContact CA-O 3.17Å; P254-S357 VanDerWaalsContact CB-O 3.3Å; P254-S357 WeakPolarHBondContact CB-O 3.14Å; P254-S357 WeakPolarHBondContact CB-OG 3.25Å; P254-V359 HydrophobicContact CB-CB 4.29Å; P254-V359 HydrophobicContact CB-CG2 3.87Å; P254-V359 HydrophobicContact CG-CB 3.9Å; P254-V359 HydrophobicContact CG-CG2 3.67Å
255	I	98.5	Very high	98.1	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.041	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.4	152.2	-68.6	172.1	0	0	0	107.7	D257 A269 A271 I353 P355 S357 V359	I255-D257 PolarHBondContact O-N 2.65Å; I255-A269 HydrophobicContact CG2-CB 3.9Å; I255-A271 HydrophobicContact CD1-CB 3.57Å; I255-I353 HydrophobicContact CG1-CG2 3.87Å; I255-P355 HydrophobicContact CD1-CB 3.99Å; I255-S357 PolarHBondContact N-O 2.87Å; I255-V359 PolarHBondContact O-N 2.95Å; I255-V359 VanDerWaalsContact O-N 3.1Å
256	I	98.5	Very high	98.1	Very high	16 Å²	16	31.4 Å²	31.4	8%	0.082	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	103.1	179.5	-53.1	176.7	0	0	0	108.5	P254 A269 W285 A309 I312 V359 H361 F363	P254-I256 HydrophobicContact CG-CG1 4.43Å; P254-I256 PolarHBondContact O-N 2.62Å; I256-A269 WeakPolarHBondContact O-CB 3.43Å; I256-W285 HydrophobicContact CD1-CH2 4.25Å; I256-W285 HydrophobicContact CD1-CZ2 4.25Å; I256-A309 HydrophobicContact CD1-CB 3.95Å; I256-I312 HydrophobicContact CD1-CD1 4.18Å; I256-I312 HydrophobicContact CG1-CD1 4.12Å; I256-I312 HydrophobicContact CG2-CD1 4.15Å; I256-V359 CarbonylContact C-O 3.51Å; I256-V359 VanDerWaalsContact CA-O 3.28Å; I256-V359 WeakPolarHBondContact CA-O 3.36Å; I256-H361 HydrophobicContact CG2-CB 3.51Å; I256-F363 HydrophobicContact CB-CZ 4.47Å; I256-F363 HydrophobicContact CG2-CE2 3.96Å; I256-F363 HydrophobicContact CG2-CZ 3.64Å
257	D	98.4	Very high	98.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	160.5	173.5	-74.1	-21.3	0	0	0	110.8	T124 I255 Y266 L267 A268 A269 R358 V359 G360 H361	T124-D257 VanDerWaalsContact CB-OD2 3.3Å; T124-D257 WeakPolarHBondContact CB-OD2 3.3Å; T124-D257 PolarHBondContact OG1-OD2 3.18Å; I255-D257 PolarHBondContact O-N 2.65Å; D257-Y266 HydrophobicContact CB-CD1 4.49Å; D257-Y266 HydrophobicContact CB-CE1 3.71Å; D257-Y266 WeakPolarHBondContact OD2-CE1 3.13Å; D257-Y266 PolarHBondContact OD2-OH 3.05Å; D257-L267 WeakPolarHBondContact CB-O 3.45Å; D257-A268 WeakPolarHBondContact OD1-CA 3.24Å; D257-A269 PolarHBondContact OD1-N 3.39Å; D257-R358 IonicContact OD1-CZ 3.94Å; D257-R358 IonicContact OD1-NH1 2.71Å; D257-R358 PolarHBondContact OD1-NH1 3.01Å; D257-R358 WeakPolarHBondContact OD2-CD 3.46Å; D257-R358 IonicContact OD2-NH1 3.34Å; D257-V359 PolarHBondContact N-O 2.81Å; D257-G360 CarbonylContact O-C 3.24Å; D257-G360 WeakPolarHBondContact O-CA 3.48Å; D257-H361 PolarHBondContact O-N 2.94Å
258	V	98.1	Very high	97.9	Very high	54 Å²	54	31.7 Å²	31.7	33%	0.327	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.7	-176.5	176.8	0	0	0	0	109.5	L267 F363	V258-L267 HydrophobicContact CB-CB 4.27Å; V258-L267 PolarHBondContact N-O 3.27Å; V258-L267 PolarHBondContact O-N 2.73Å; V258-F363 HydrophobicContact CB-CD2 4.27Å; V258-F363 HydrophobicContact CB-CE2 4.47Å; V258-F363 HydrophobicContact CG1-CD2 4.14Å; V258-F363 HydrophobicContact CG2-CD2 3.92Å; V258-F363 HydrophobicContact CG2-CE2 3.89Å
259	I	98.5	Very high	97.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.5	160.5	-58.5	168.6	0	0	0	106.6	E231 L261 F264 A265 Y266 H361 V362	E231-I259 HydrophobicContact CB-CD1 3.9Å; E231-I259 HydrophobicContact CG-CD1 3.85Å; I259-L261 PolarHBondContact O-N 3.22Å; I259-F264 HydrophobicContact CG2-CB 4.3Å; I259-F264 HydrophobicContact CG2-CD1 3.68Å; I259-F264 HydrophobicContact CG2-CE1 4.24Å; I259-F264 HydrophobicContact CG2-CG 4.2Å; I259-A265 WeakPolarHBondContact CA-O 3.21Å; I259-Y266 HydrophobicContact CD1-CD2 4.46Å; I259-Y266 HydrophobicContact CG1-CD2 4Å; I259-H361 PolarHBondContact N-O 3.4Å; I259-V362 HydrophobicContact CB-CG2 3.85Å; I259-V362 HydrophobicContact CD1-CG2 4.28Å; I259-V362 HydrophobicContact CG2-CG2 3.78Å
260	S	97.7	Very high	97.5	Very high	20 Å²	20	29.8 Å²	29.8	14%	0.14	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-58	129.4	-179.4	173.1	0	0	0	0	111.1	D262 N263 F264 A265	S260-D262 PolarHBondContact O-N 3.11Å; S260-D262 PolarHBondContact OG-N 3.41Å; S260-N263 WeakPolarHBondContact CB-OD1 3.39Å; S260-N263 PolarHBondContact OG-OD1 2.86Å; S260-F264 WeakPolarHBondContact O-CA 3.32Å; S260-F264 PolarHBondContact O-N 2.77Å; S260-A265 PolarHBondContact N-O 2.92Å
261	L	96.4	Very high	97.1	Very high	26 Å²	26	29.1 Å²	29.1	14%	0.136	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-17.4	178.9	70	105.3	0	0	0	113.2	Y102 F107 N108 I259 V362 F363 K365	Y102-L261 HydrophobicContact CD1-CD1 4.36Å; Y102-L261 HydrophobicContact CE1-CD1 3.93Å; F107-L261 HydrophobicContact CB-CB 4.01Å; N108-L261 WeakPolarHBondContact CB-O 3.42Å; N108-L261 PolarHBondContact N-O 3.27Å; I259-L261 PolarHBondContact O-N 3.22Å; L261-V362 HydrophobicContact CB-CG1 4.4Å; L261-F363 WeakPolarHBondContact CD2-O 3.17Å; L261-K365 HydrophobicContact CD2-CG 4.27Å
262	D	96.6	Very high	96.7	Very high	75 Å²	75	31.1 Å²	31.1	40%	0.401	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-44.3	-174.1	-58.8	-51.8	0	0	0	112.5	Y102 N108 S260	Y102-D262 PolarHBondContact OH-OD1 3.1Å; N108-D262 VanDerWaalsContact CB-O 3.25Å; N108-D262 WeakPolarHBondContact CB-O 3.3Å; N108-D262 PolarHBondContact ND2-O 3.44Å; S260-D262 PolarHBondContact O-N 3.11Å; S260-D262 PolarHBondContact OG-N 3.41Å
263	N	96.8	Very high	96.5	Very high	90 Å²	90	32.9 Å²	32.9	48%	0.481	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	4.3	-173.9	67.6	9.4	0	0	0	113.7	S260 A265	S260-N263 WeakPolarHBondContact CB-OD1 3.39Å; S260-N263 PolarHBondContact OG-OD1 2.86Å; N263-A265 PolarHBondContact O-N 2.62Å; N263-A265 VanDerWaalsContact OD1-CB 3.27Å; N263-A265 WeakPolarHBondContact OD1-CB 3.3Å; N263-A265 PolarHBondContact OD1-N 2.91Å
264	F	97.6	Very high	96.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.			trans	58.4	16.9	179.5	-83.6	-102.9	0	0	0	115.4	F107 N108 E111 S112 L115 R119 T154 I259 S260 Y266 V362	F107-F264 HydrophobicContact CB-CE2 4.42Å; F107-F264 HydrophobicContact CB-CZ 4.45Å; F107-F264 AromaticContact CD2-CE2 3.8Å; F107-F264 HydrophobicContact CD2-CE2 3.8Å; F107-F264 AromaticContact CD2-CZ 3.51Å; F107-F264 HydrophobicContact CD2-CZ 3.51Å; F107-F264 HydrophobicContact CE2-CE2 4.48Å; F107-F264 AromaticContact CE2-CZ 3.88Å; F107-F264 HydrophobicContact CE2-CZ 3.88Å; F107-F264 HydrophobicContact CG-CE2 4.37Å; F107-F264 HydrophobicContact CG-CZ 4.03Å; N108-F264 VanDerWaalsContact O-CE2 3.25Å; N108-F264 WeakPolarHBondContact O-CE2 3.35Å; E111-F264 HydrophobicContact CB-CD2 4.09Å; S112-F264 VanDerWaalsContact CB-CZ 3.47Å; L115-F264 HydrophobicContact CD1-CB 3.27Å; L115-F264 HydrophobicContact CD1-CD1 4.27Å; L115-F264 HydrophobicContact CD1-CG 3.92Å; R119-F264 VanDerWaalsContact CZ-O 3.27Å; R119-F264 PolarHBondContact NH1-O 2.66Å; R119-F264 PolarHBondContact NH2-O 3.36Å; T154-F264 HydrophobicContact CG2-CE1 3.88Å; T154-F264 HydrophobicContact CG2-CZ 4.13Å; I259-F264 HydrophobicContact CG2-CB 4.3Å; I259-F264 HydrophobicContact CG2-CD1 3.68Å; I259-F264 HydrophobicContact CG2-CE1 4.24Å; I259-F264 HydrophobicContact CG2-CG 4.2Å; S260-F264 WeakPolarHBondContact O-CA 3.32Å; S260-F264 PolarHBondContact O-N 2.77Å; F264-Y266 PolarHBondContact O-N 3.31Å; F264-V362 HydrophobicContact CE1-CG2 3.83Å; F264-V362 HydrophobicContact CZ-CG2 4.29Å
265	A	97.3	Very high	96.3	Very high	36 Å²	36	32.9 Å²	32.9	30%	0.298	20%	0.201	S	C	.	.			trans	-58.6	133.2	172.2	0	0	0	0	0	110.6	I259 S260 N263 L267	I259-A265 WeakPolarHBondContact CA-O 3.21Å; S260-A265 PolarHBondContact N-O 2.92Å; N263-A265 PolarHBondContact O-N 2.62Å; N263-A265 VanDerWaalsContact OD1-CB 3.27Å; N263-A265 WeakPolarHBondContact OD1-CB 3.3Å; N263-A265 PolarHBondContact OD1-N 2.91Å; A265-L267 HydrophobicContact CB-CD2 4.13Å; A265-L267 HydrophobicContact CB-CG 4.33Å
266	Y	97.8	Very high	96.2	Very high	23 Å²	23	32.5 Å²	32.5	9%	0.09	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	110.8	174.9	-168.6	-74.4	0	0	0	109.3	I121 T124 E231 N233 D257 I259 F264 G360	I121-Y266 HydrophobicContact CB-CD2 4.11Å; I121-Y266 HydrophobicContact CB-CG 4.15Å; I121-Y266 HydrophobicContact CD1-CD2 3.87Å; I121-Y266 HydrophobicContact CD1-CE2 3.49Å; I121-Y266 VanDerWaalsContact CD1-CE2 3.49Å; I121-Y266 HydrophobicContact CG2-CD2 3.99Å; I121-Y266 HydrophobicContact CG2-CG 4.31Å; T124-Y266 HydrophobicContact CG2-CD1 3.97Å; T124-Y266 HydrophobicContact CG2-CE1 3.66Å; E231-Y266 HydrophobicContact CB-CD2 4.49Å; E231-Y266 HydrophobicContact CB-CE2 4.25Å; N233-Y266 PolarHBondContact ND2-OH 3.41Å; D257-Y266 HydrophobicContact CB-CD1 4.49Å; D257-Y266 HydrophobicContact CB-CE1 3.71Å; D257-Y266 WeakPolarHBondContact OD2-CE1 3.13Å; D257-Y266 PolarHBondContact OD2-OH 3.05Å; I259-Y266 HydrophobicContact CD1-CD2 4.46Å; I259-Y266 HydrophobicContact CG1-CD2 4Å; F264-Y266 PolarHBondContact O-N 3.31Å; Y266-G360 VanDerWaalsContact CE2-CA 3.46Å; Y266-G360 PolarHBondContact OH-N 2.94Å
267	L	96.8	Very high	96.2	Very high	91 Å²	91	31.7 Å²	31.7	48%	0.476	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	127.3	-171.1	-56.4	174.7	0	0	0	110.2	D257 V258 A265 A269	D257-L267 WeakPolarHBondContact CB-O 3.45Å; V258-L267 HydrophobicContact CB-CB 4.27Å; V258-L267 PolarHBondContact N-O 3.27Å; V258-L267 PolarHBondContact O-N 2.73Å; A265-L267 HydrophobicContact CB-CD2 4.13Å; A265-L267 HydrophobicContact CB-CG 4.33Å; L267-A269 PolarHBondContact O-N 2.77Å
268	A	96.6	Very high	96	Very high	60 Å²	60	34.4 Å²	34.4	50%	0.496	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-63.7	129.2	178.3	0	0	0	0	0	111.2	T124 D257	T124-A268 HydrophobicContact CG2-CB 3.62Å; D257-A268 WeakPolarHBondContact OD1-CA 3.24Å
269	A	95.3	Very high	95.8	Very high	25 Å²	25	32.7 Å²	32.7	21%	0.207	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-81.3	157.5	166	0	0	0	0	0	110.9	I255 I256 D257 L267 R358	I255-A269 HydrophobicContact CG2-CB 3.9Å; I256-A269 WeakPolarHBondContact O-CB 3.43Å; D257-A269 PolarHBondContact OD1-N 3.39Å; L267-A269 PolarHBondContact O-N 2.77Å; A269-R358 PolarHBondContact O-NH1 3.37Å
270	S	92.8	Very high	95.6	Very high	52 Å²	52	33.6 Å²	33.6	36%	0.364	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-66.5	134.8	175.8	176.1	0	0	0	0	111	D272	S270-D272 PolarHBondContact O-N 3.25Å; S270-D272 PolarHBondContact OG-N 3.42Å; S270-D272 VanDerWaalsContact OG-N 3.16Å
271	A	90.2	Very high	95.5	Very high	27 Å²	27	32.6 Å²	32.6	22%	0.223	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.2	173.8	0	0	0	0	0	113.7	I255 I303	I255-A271 HydrophobicContact CD1-CB 3.57Å; A271-I303 WeakPolarHBondContact O-CD1 2.88Å
272	D	91.2	Very high	95.5	Very high	43 Å²	43	36.2 Å²	36.2	23%	0.23	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	16.7	178.4	-64.6	-33.4	0	0	0	112.4	S270 Q287 I288 K293	S270-D272 PolarHBondContact O-N 3.25Å; S270-D272 PolarHBondContact OG-N 3.42Å; S270-D272 VanDerWaalsContact OG-N 3.16Å; D272-Q287 CarbonylContact O-C 3.54Å; D272-Q287 WeakPolarHBondContact O-CA 3.44Å; D272-I288 WeakPolarHBondContact O-CG1 3.38Å; D272-I288 PolarHBondContact O-N 3.44Å; D272-K293 VanDerWaalsContact CG-NZ 3.34Å; D272-K293 IonicContact OD1-NZ 3.84Å; D272-K293 WeakPolarHBondContact OD2-CE 3.36Å; D272-K293 IonicContact OD2-NZ 3.16Å; D272-K293 PolarHBondContact OD2-NZ 3.44Å
273	L	93.5	Very high	95.4	Very high	37 Å²	37	34.6 Å²	34.6	19%	0.194	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.3	179	-64.4	174.7	0	0	0	111.3	W285 E286 Q287	L273-W285 HydrophobicContact CB-CE3 4.2Å; L273-W285 HydrophobicContact CD1-CB 4.22Å; L273-W285 HydrophobicContact CD2-CB 4.33Å; L273-E286 CarbonylContact C-O 3.57Å; L273-E286 VanDerWaalsContact CA-O 3.31Å; L273-E286 WeakPolarHBondContact CA-O 3.41Å; L273-Q287 HydrophobicContact CD2-CG 4.46Å
274	R	95.4	Very high	95.3	Very high	6 Å²	6	34 Å²	34	2%	0.023	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.9	165.9	69.8	-179.7	-170.8	167.9	9	110.1	E286 I303 I353 E438	R274-E286 PolarHBondContact N-O 3.31Å; R274-E286 PolarHBondContact O-N 3.5Å; R274-I303 HydrophobicContact CB-CG2 4.18Å; R274-I353 HydrophobicContact CB-CD1 4.31Å; R274-E438 IonicContact CZ-OE2 3.53Å; R274-E438 IonicContact NH1-OE1 2.99Å; R274-E438 IonicContact NH1-OE2 2.81Å; R274-E438 IonicContact NH2-OE1 3.75Å; R274-E438 IonicContact NH2-OE2 3.43Å; R274-E438 PolarHBondContact NH2-OE2 2.65Å
275	G	97.5	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	136.9	175.9	0	0	0	0	0	111.4	T305 P306 V307	G275-T305 WeakPolarHBondContact CA-OG1 3.16Å; G275-T305 PolarHBondContact N-OG1 3.31Å; G275-T305 PolarHBondContact O-OG1 2.97Å; G275-P306 VanDerWaalsContact O-CD 3.3Å; G275-P306 WeakPolarHBondContact O-CD 3.26Å; G275-V307 WeakPolarHBondContact CA-O 3.49Å
276	G	97.9	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	178.8	175.1	0	0	0	0	0	111	K284 Y436	G276-K284 CarbonylContact C-O 3.56Å; G276-K284 PolarHBondContact N-O 3.35Å; G276-K284 PolarHBondContact O-N 3.27Å; G276-K284 VanDerWaalsContact O-O 3.1Å; G276-Y436 WeakPolarHBondContact CA-OH 3.22Å
277	F	97.6	Very high	94.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	161.7	176	63.5	-84.9	0	0	0	112.3	L281 H282 K284 V307 F338 F342 F428 Y431 Y436 L439	F277-L281 HydrophobicContact CD2-CD2 3.89Å; F277-L281 HydrophobicContact CE2-CD2 3.96Å; F277-H282 WeakPolarHBondContact CA-O 3.5Å; F277-H282 VanDerWaalsContact CB-O 3.29Å; F277-H282 WeakPolarHBondContact CB-O 3.4Å; F277-K284 WeakPolarHBondContact O-CE 3.29Å; F277-V307 HydrophobicContact CD1-CB 4.3Å; F277-V307 HydrophobicContact CD1-CG1 3.98Å; F277-F338 HydrophobicContact CB-CD1 4.42Å; F277-F338 HydrophobicContact CB-CE1 3.6Å; F277-F338 HydrophobicContact CB-CZ 4.25Å; F277-F338 HydrophobicContact CD1-CD1 4.4Å; F277-F338 HydrophobicContact CD1-CE1 4.29Å; F277-F338 HydrophobicContact CG-CD1 4.35Å; F277-F338 AromaticContact CG-CE1 4Å; F277-F338 HydrophobicContact CG-CE1 4Å; F277-F342 AromaticContact CE1-CE1 3.61Å; F277-F342 HydrophobicContact CE1-CE1 3.61Å; F277-F342 AromaticContact CE1-CZ 3.99Å; F277-F342 HydrophobicContact CE1-CZ 3.99Å; F277-F342 HydrophobicContact CE2-CE1 4.4Å; F277-F342 HydrophobicContact CE2-CZ 4.02Å; F277-F342 AromaticContact CZ-CE1 3.55Å; F277-F342 HydrophobicContact CZ-CE1 3.55Å; F277-F342 AromaticContact CZ-CZ 3.61Å; F277-F342 HydrophobicContact CZ-CZ 3.61Å; F277-F428 HydrophobicContact CZ-CZ 4.43Å; F277-Y431 HydrophobicContact CE1-CE1 4.28Å; F277-Y431 HydrophobicContact CZ-CE1 4.18Å; F277-Y436 HydrophobicContact CD1-CD1 4.05Å; F277-Y436 AromaticContact CD1-CE1 3.62Å; F277-Y436 HydrophobicContact CD1-CE1 3.62Å; F277-Y436 AromaticContact CE1-CD1 3.52Å; F277-Y436 HydrophobicContact CE1-CD1 3.52Å; F277-Y436 AromaticContact CE1-CE1 3.59Å; F277-Y436 HydrophobicContact CE1-CE1 3.59Å; F277-Y436 HydrophobicContact CG-CE1 4.24Å; F277-Y436 AromaticContact CZ-CD1 3.98Å; F277-Y436 HydrophobicContact CZ-CD1 3.98Å; F277-Y436 HydrophobicContact CZ-CE1 4.19Å; F277-Y436 PolarHBondContact N-OH 3.26Å; F277-Y436 VanDerWaalsContact N-OH 3.14Å; F277-Y436 PolarHBondContact O-OH 3.03Å; F277-L439 HydrophobicContact CD2-CD2 4.14Å; F277-L439 HydrophobicContact CE1-CD2 4.48Å; F277-L439 HydrophobicContact CE2-CD2 3.54Å; F277-L439 HydrophobicContact CZ-CD2 3.74Å; F277-L439 WeakPolarHBondContact O-CD1 3.44Å
278	D	94.6	Very high	94.7	Very high	56 Å²	56	38.9 Å²	38.9	30%	0.299	21%	0.206	S	C	.	.			trans	-101	170.1	167.6	67	33.8	0	0	0	111.7	S280 L281 H282	D278-S280 PolarHBondContact O-N 2.7Å; D278-S280 WeakPolarHBondContact OD1-CA 3.48Å; D278-S280 VanDerWaalsContact OD1-CB 3.24Å; D278-S280 WeakPolarHBondContact OD1-CB 3.37Å; D278-S280 PolarHBondContact OD1-N 2.78Å; D278-S280 PolarHBondContact OD1-OG 2.55Å; D278-L281 WeakPolarHBondContact O-CA 3.3Å; D278-L281 PolarHBondContact O-N 2.94Å; D278-H282 PolarHBondContact N-O 3.23Å; D278-H282 PolarHBondContact OD1-N 2.9Å
279	W	94.3	Very high	94.4	Very high	19 Å²	19	37.4 Å²	37.4	7%	0.072	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.1	-178	-68.1	103.1	0	0	0	114.1	L281 M391 Y394 Y397 Y398 A401 F428 M432 L439 R440 V441 P442	W279-L281 PolarHBondContact O-N 2.83Å; W279-L281 VanDerWaalsContact O-N 3.16Å; W279-M391 HydrophobicContact CE3-CE 4.02Å; W279-M391 HydrophobicContact CZ3-CE 3.91Å; W279-Y394 AromaticContact CH2-CD1 3.72Å; W279-Y394 HydrophobicContact CH2-CD1 3.72Å; W279-Y394 HydrophobicContact CH2-CG 4.48Å; W279-Y394 HydrophobicContact CZ3-CD1 4.18Å; W279-Y397 HydrophobicContact CD2-CG 4.38Å; W279-Y397 VanDerWaalsContact CE3-CB 3.49Å; W279-Y397 HydrophobicContact CE3-CD2 4.24Å; W279-Y397 HydrophobicContact CE3-CG 4.23Å; W279-Y397 HydrophobicContact CH2-CD2 4.22Å; W279-Y397 HydrophobicContact CZ3-CD2 4.02Å; W279-Y397 HydrophobicContact CZ3-CG 4.47Å; W279-Y398 WeakPolarHBondContact O-CA 3.35Å; W279-Y398 WeakPolarHBondContact O-CB 3.49Å; W279-A401 HydrophobicContact CB-CB 4Å; W279-F428 HydrophobicContact CZ3-CE1 4.32Å; W279-M432 HydrophobicContact CH2-CE 3.72Å; W279-M432 HydrophobicContact CH2-SD 3.94Å; W279-M432 HydrophobicContact CZ2-CE 3.75Å; W279-L439 HydrophobicContact CD2-CD2 4.5Å; W279-L439 HydrophobicContact CH2-CD2 4.17Å; W279-L439 HydrophobicContact CZ2-CD2 3.88Å; W279-L439 HydrophobicContact CZ2-CG 3.82Å; W279-R440 PolarHBondContact NE1-O 3.32Å; W279-V441 HydrophobicContact CH2-CG2 4.23Å; W279-V441 HydrophobicContact CZ2-CB 4.21Å; W279-V441 HydrophobicContact CZ2-CG2 3.8Å; W279-P442 HydrophobicContact CG-CG 4.15Å
280	S	92.9	Very high	94	Very high	19 Å²	19	42.3 Å²	42.3	13%	0.133	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	3.3	173	87.3	0	0	0	0	113.5	D278 H282 R402	D278-S280 PolarHBondContact O-N 2.7Å; D278-S280 WeakPolarHBondContact OD1-CA 3.48Å; D278-S280 VanDerWaalsContact OD1-CB 3.24Å; D278-S280 WeakPolarHBondContact OD1-CB 3.37Å; D278-S280 PolarHBondContact OD1-N 2.78Å; D278-S280 PolarHBondContact OD1-OG 2.55Å; S280-H282 VanDerWaalsContact C-N 3.3Å; S280-R402 PolarHBondContact O-NE 3.46Å; S280-R402 PolarHBondContact O-NH2 3.22Å; S280-R402 PolarHBondContact OG-NH2 3.42Å
281	L	96.9	Very high	93.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.			trans	56.5	41.3	-169.2	-65.5	177	0	0	0	111.9	F277 D278 W279 F338 F342 Y379 T383 A387 M391 Y398	F277-L281 HydrophobicContact CD2-CD2 3.89Å; F277-L281 HydrophobicContact CE2-CD2 3.96Å; D278-L281 WeakPolarHBondContact O-CA 3.3Å; D278-L281 PolarHBondContact O-N 2.94Å; W279-L281 PolarHBondContact O-N 2.83Å; W279-L281 VanDerWaalsContact O-N 3.16Å; L281-F338 HydrophobicContact CB-CD2 4.24Å; L281-F338 HydrophobicContact CB-CE2 4.19Å; L281-F338 HydrophobicContact CD2-CD1 4.48Å; L281-F338 HydrophobicContact CD2-CG 4.41Å; L281-F338 WeakPolarHBondContact O-CE2 3Å; L281-F338 WeakPolarHBondContact O-CZ 3.4Å; L281-F342 HydrophobicContact CD2-CE2 4.16Å; L281-F342 HydrophobicContact CD2-CZ 3.96Å; L281-Y379 PolarHBondContact O-OH 2.78Å; L281-T383 HydrophobicContact CB-CG2 4.11Å; L281-T383 HydrophobicContact CD1-CG2 4.41Å; L281-A387 HydrophobicContact CD1-CB 4.18Å; L281-M391 HydrophobicContact CD1-SD 3.96Å; L281-M391 HydrophobicContact CD2-CE 4.38Å; L281-M391 HydrophobicContact CD2-SD 3.93Å; L281-M391 HydrophobicContact CG-SD 4.27Å; L281-Y398 HydrophobicContact CB-CD2 4.21Å; L281-Y398 HydrophobicContact CB-CE2 4.31Å; L281-Y398 HydrophobicContact CD1-CD2 3.77Å; L281-Y398 HydrophobicContact CD1-CE2 3.97Å; L281-Y398 HydrophobicContact CD1-CG 4.41Å; L281-Y398 HydrophobicContact CG-CD2 3.76Å; L281-Y398 HydrophobicContact CG-CE2 4.22Å
282	H	95.2	Very high	93.6	Very high	101 Å²	101	50.6 Å²	50.6	47%	0.468	24%	0.241	S	C	.	.			trans	-94	129.9	170.2	-178.9	70.5	0	0	0	110.5	F277 D278 S280	F277-H282 WeakPolarHBondContact CA-O 3.5Å; F277-H282 VanDerWaalsContact CB-O 3.29Å; F277-H282 WeakPolarHBondContact CB-O 3.4Å; D278-H282 PolarHBondContact N-O 3.23Å; D278-H282 PolarHBondContact OD1-N 2.9Å; S280-H282 VanDerWaalsContact C-N 3.3Å
283	F	96.4	Very high	93.4	Very high	42 Å²	42	52.7 Å²	52.7	18%	0.184	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	138.6	-179.7	175.2	-89.7	0	0	0	110	W285 V307 A309 F338	F283-W285 AromaticContact CE1-CD2 3.97Å; F283-W285 HydrophobicContact CE1-CD2 3.97Å; F283-W285 AromaticContact CE1-CE2 3.68Å; F283-W285 HydrophobicContact CE1-CG 4.27Å; F283-W285 HydrophobicContact CE1-CZ2 4.05Å; F283-W285 AromaticContact CE1-NE1 3.8Å; F283-W285 AromaticContact CZ-CD2 3.99Å; F283-W285 HydrophobicContact CZ-CD2 3.99Å; F283-W285 AromaticContact CZ-CE2 3.89Å; F283-W285 HydrophobicContact CZ-CE3 4.1Å; F283-W285 HydrophobicContact CZ-CH2 4.08Å; F283-W285 AromaticContact CZ-CZ2 3.95Å; F283-W285 HydrophobicContact CZ-CZ2 3.95Å; F283-W285 HydrophobicContact CZ-CZ3 4.15Å; F283-V307 HydrophobicContact CD2-CG1 3.95Å; F283-V307 HydrophobicContact CD2-CG2 4.47Å; F283-V307 HydrophobicContact CE2-CG1 4.01Å; F283-A309 HydrophobicContact CE1-CB 4.22Å; F283-A309 HydrophobicContact CE2-CB 4.26Å; F283-A309 HydrophobicContact CZ-CB 3.86Å; F283-F338 HydrophobicContact CB-CE1 4.4Å; F283-F338 HydrophobicContact CB-CZ 3.87Å
284	K	94.4	Very high	93.1	Very high	77 Å²	77	58.3 Å²	58.3	34%	0.335	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.2	173.3	50.3	170.3	164.8	157.7	0	110.9	G276 F277 E286	G276-K284 CarbonylContact C-O 3.56Å; G276-K284 PolarHBondContact N-O 3.35Å; G276-K284 PolarHBondContact O-N 3.27Å; G276-K284 VanDerWaalsContact O-O 3.1Å; F277-K284 WeakPolarHBondContact O-CE 3.29Å; K284-E286 HydrophobicContact CD-CG 4.1Å; K284-E286 WeakPolarHBondContact CE-OE1 3.44Å; K284-E286 HydrophobicContact CG-CG 4.18Å; K284-E286 IonicContact NZ-OE1 3.79Å; K284-E286 PolarHBondContact NZ-OE1 2.81Å
285	W	94.9	Very high	92.7	Very high	96 Å²	96	62 Å²	62	36%	0.364	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.4	166.5	-65.5	109	0	0	0	109.5	I256 L273 F283 A309 I353	I256-W285 HydrophobicContact CD1-CH2 4.25Å; I256-W285 HydrophobicContact CD1-CZ2 4.25Å; L273-W285 HydrophobicContact CB-CE3 4.2Å; L273-W285 HydrophobicContact CD1-CB 4.22Å; L273-W285 HydrophobicContact CD2-CB 4.33Å; F283-W285 AromaticContact CE1-CD2 3.97Å; F283-W285 HydrophobicContact CE1-CD2 3.97Å; F283-W285 AromaticContact CE1-CE2 3.68Å; F283-W285 HydrophobicContact CE1-CG 4.27Å; F283-W285 HydrophobicContact CE1-CZ2 4.05Å; F283-W285 AromaticContact CE1-NE1 3.8Å; F283-W285 AromaticContact CZ-CD2 3.99Å; F283-W285 HydrophobicContact CZ-CD2 3.99Å; F283-W285 AromaticContact CZ-CE2 3.89Å; F283-W285 HydrophobicContact CZ-CE3 4.1Å; F283-W285 HydrophobicContact CZ-CH2 4.08Å; F283-W285 AromaticContact CZ-CZ2 3.95Å; F283-W285 HydrophobicContact CZ-CZ2 3.95Å; F283-W285 HydrophobicContact CZ-CZ3 4.15Å; W285-A309 HydrophobicContact CH2-CB 4.38Å; W285-A309 HydrophobicContact CZ2-CB 4.21Å; W285-I353 HydrophobicContact CZ3-CD1 4.2Å
286	E	94.8	Very high	92.2	Very high	36 Å²	36	64.4 Å²	64.4	17%	0.168	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	146.2	177.9	-62.5	-168.5	151.8	0	0	110.5	L273 R274 K284 Y436	L273-E286 CarbonylContact C-O 3.57Å; L273-E286 VanDerWaalsContact CA-O 3.31Å; L273-E286 WeakPolarHBondContact CA-O 3.41Å; R274-E286 PolarHBondContact N-O 3.31Å; R274-E286 PolarHBondContact O-N 3.5Å; K284-E286 HydrophobicContact CD-CG 4.1Å; K284-E286 WeakPolarHBondContact CE-OE1 3.44Å; K284-E286 HydrophobicContact CG-CG 4.18Å; K284-E286 IonicContact NZ-OE1 3.79Å; K284-E286 PolarHBondContact NZ-OE1 2.81Å; E286-Y436 PolarHBondContact OE1-OH 3.4Å; E286-Y436 WeakPolarHBondContact OE2-CE2 3.32Å; E286-Y436 PolarHBondContact OE2-OH 3.48Å
287	Q	94.1	Very high	91.7	Very high	112 Å²	112	69.9 Å²	69.9	52%	0.523	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	141.5	169.3	-67.8	-72.7	-40.6	0	0	109.5	D272 L273	D272-Q287 CarbonylContact O-C 3.54Å; D272-Q287 WeakPolarHBondContact O-CA 3.44Å; L273-Q287 HydrophobicContact CD2-CG 4.46Å
288	I	91.8	Very high	91.5	Very high	9 Å²	9	71.6 Å²	71.6	5%	0.046	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-57	133.5	169.2	-61.9	166	0	0	0	108.3	D272 I290 Q292 K293 I303	D272-I288 WeakPolarHBondContact O-CG1 3.38Å; D272-I288 PolarHBondContact O-N 3.44Å; I288-I290 PolarHBondContact O-N 3Å; I288-Q292 HydrophobicContact CG2-CB 3.66Å; I288-K293 HydrophobicContact CG2-CB 4.27Å; I288-I303 HydrophobicContact CD1-CD1 3.72Å; I288-I303 HydrophobicContact CD1-CG1 3.95Å; I288-I303 HydrophobicContact CD1-CG2 3.84Å; I288-I303 HydrophobicContact CG1-CG2 4.03Å
289	P	89.9	Confident	91.4	Very high	28 Å²	28	70.6 Å²	70.6	18%	0.182	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-51.3	140.6	177	-27.3	34	0	0	0	111.8	E291 Q292 K293 E438	P289-E291 PolarHBondContact O-N 3.38Å; P289-Q292 HydrophobicContact CB-CB 4.46Å; P289-Q292 HydrophobicContact CB-CG 4.34Å; P289-Q292 PolarHBondContact O-N 2.63Å; P289-K293 PolarHBondContact O-N 3.39Å; P289-E438 HydrophobicContact CG-CG 3.96Å; P289-E438 VanDerWaalsContact CG-OE1 3.31Å; P289-E438 WeakPolarHBondContact CG-OE1 3.44Å
290	I	88.1	Confident	91.4	Very high	129 Å²	129	70.4 Å²	70.4	66%	0.662	36%	0.361	S	S	*	.	H	α-helix	trans	-54.3	-42.6	-173.5	-65.6	170.9	0	0	0	111.2	I288 Q292 K293 M294	I288-I290 PolarHBondContact O-N 3Å; I290-Q292 PolarHBondContact O-N 2.85Å; I290-K293 PolarHBondContact O-N 3.46Å; I290-M294 HydrophobicContact CG2-CG 4.15Å; I290-M294 HydrophobicContact CG2-SD 3.8Å; I290-M294 WeakPolarHBondContact O-CB 3.49Å; I290-M294 VanDerWaalsContact O-CG 3.28Å; I290-M294 WeakPolarHBondContact O-CG 3.33Å; I290-M294 PolarHBondContact O-N 3.14Å
291	E	86.5	Confident	91.4	Very high	172 Å²	172	74.2 Å²	74.2	80%	0.804	38%	0.376	S	S	*	.	H	α-helix	trans	-59.4	-47.2	177.9	-63.8	175.5	-174	0	0	112.1	P289 M294 A295	P289-E291 PolarHBondContact O-N 3.38Å; E291-M294 PolarHBondContact O-N 3.3Å; E291-A295 WeakPolarHBondContact O-CB 3Å; E291-A295 PolarHBondContact O-N 2.93Å
292	Q	86.8	Confident	91.4	Very high	81 Å²	81	76 Å²	76	38%	0.379	39%	0.388	S	S	.	.	H	α-helix	trans	-66	-39.1	176.7	-67	178.8	19.9	0	0	111.5	I288 P289 I290 A295 R296 E438	I288-Q292 HydrophobicContact CG2-CB 3.66Å; P289-Q292 HydrophobicContact CB-CB 4.46Å; P289-Q292 HydrophobicContact CB-CG 4.34Å; P289-Q292 PolarHBondContact O-N 2.63Å; I290-Q292 PolarHBondContact O-N 2.85Å; Q292-A295 PolarHBondContact O-N 3.47Å; Q292-R296 PolarHBondContact O-N 3.12Å; Q292-E438 PolarHBondContact NE2-OE1 3.37Å
293	K	87.3	Confident	91.5	Very high	86 Å²	86	71.6 Å²	71.6	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-63.9	-43.3	177.2	-172.2	176.7	-174.1	168.6	0	111.5	D272 I288 P289 I290 R296	D272-K293 VanDerWaalsContact CG-NZ 3.34Å; D272-K293 IonicContact OD1-NZ 3.84Å; D272-K293 WeakPolarHBondContact OD2-CE 3.36Å; D272-K293 IonicContact OD2-NZ 3.16Å; D272-K293 PolarHBondContact OD2-NZ 3.44Å; I288-K293 HydrophobicContact CG2-CB 4.27Å; P289-K293 PolarHBondContact O-N 3.39Å; I290-K293 PolarHBondContact O-N 3.46Å; K293-R296 PolarHBondContact O-N 3.44Å
294	M	87.3	Confident	91.5	Very high	155 Å²	155	76.3 Å²	76.3	76%	0.764	39%	0.385	S	S	*	.	H	α-helix	trans	-70.7	-32.9	178.6	-70.8	-176.3	77.5	0	0	112.6	I290 E291 R296	I290-M294 HydrophobicContact CG2-CG 4.15Å; I290-M294 HydrophobicContact CG2-SD 3.8Å; I290-M294 WeakPolarHBondContact O-CB 3.49Å; I290-M294 VanDerWaalsContact O-CG 3.28Å; I290-M294 WeakPolarHBondContact O-CG 3.33Å; I290-M294 PolarHBondContact O-N 3.14Å; E291-M294 PolarHBondContact O-N 3.3Å; M294-R296 PolarHBondContact O-N 2.88Å
295	A	87.6	Confident	91.7	Very high	83 Å²	83	72.7 Å²	72.7	69%	0.686	37%	0.369	S	S	*	.	H	α-helix	trans	-69.4	-17.9	174.3	0	0	0	0	0	113.2	E291 Q292 S297	E291-A295 WeakPolarHBondContact O-CB 3Å; E291-A295 PolarHBondContact O-N 2.93Å; Q292-A295 PolarHBondContact O-N 3.47Å; A295-S297 PolarHBondContact O-N 3.19Å
296	R	87.9	Confident	91.8	Very high	52 Å²	52	68.2 Å²	68.2	20%	0.196	35%	0.352	C	S	.	.			trans	-88.2	93.1	-175.7	-147.6	172.3	77.5	98.6	1.1	111	Q292 K293 M294 D298 P299 Q301	Q292-R296 PolarHBondContact O-N 3.12Å; K293-R296 PolarHBondContact O-N 3.44Å; M294-R296 PolarHBondContact O-N 2.88Å; R296-D298 PolarHBondContact NH1-O 2.89Å; R296-P299 PolarHBondContact NH1-O 3.36Å; R296-P299 PolarHBondContact NH2-O 3.02Å; R296-P299 VanDerWaalsContact NH2-O 3.12Å; R296-Q301 HydrophobicContact CG-CB 4.43Å; R296-Q301 PolarHBondContact NH1-O 2.94Å
297	S	87.4	Confident	92	Very high	114 Å²	114	66.5 Å²	66.5	80%	0.797	34%	0.344	S	S	*	.			trans	-75.6	-24.9	178.1	62.7	0	0	0	0	114	A295	A295-S297 PolarHBondContact O-N 3.19Å
298	D	92	Very high	92.2	Very high	37 Å²	37	61.3 Å²	61.3	20%	0.198	32%	0.32	C	S	.	.			trans	-115	112.9	-178.1	172.5	14.2	0	0	0	110.5	R296 T300 Q301	R296-D298 PolarHBondContact NH1-O 2.89Å; D298-T300 PolarHBondContact O-N 2.83Å; D298-T300 VanDerWaalsContact O-N 3.1Å; D298-T300 WeakPolarHBondContact OD1-CB 3.4Å; D298-T300 PolarHBondContact OD1-N 3.49Å; D298-T300 PolarHBondContact OD1-OG1 2.96Å; D298-T300 PolarHBondContact OD2-OG1 3.28Å; D298-Q301 HydrophobicContact CB-CG 3.82Å; D298-Q301 PolarHBondContact O-N 3.3Å; D298-Q301 PolarHBondContact OD2-NE2 3.45Å
299	P	92.1	Very high	92.5	Very high	35 Å²	35	62.5 Å²	62.5	23%	0.227	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.1	-176.1	27.3	-34.8	0	0	0	113.6	H126 R296 P355	H126-P299 VanDerWaalsContact CE1-CG 3.41Å; H126-P299 WeakPolarHBondContact CE1-CG 3.26Å; R296-P299 PolarHBondContact NH1-O 3.36Å; R296-P299 PolarHBondContact NH2-O 3.02Å; R296-P299 VanDerWaalsContact NH2-O 3.12Å; P299-P355 WeakPolarHBondContact O-CB 2.99Å; P299-P355 WeakPolarHBondContact O-CG 3.19Å
300	T	94.4	Very high	92.6	Very high	14 Å²	14	61.2 Å²	61.2	9%	0.086	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.4	179.4	73.1	0	0	0	0	113.6	R128 D298 C356	R128-T300 HydrophobicContact CB-CG2 3.61Å; D298-T300 PolarHBondContact O-N 2.83Å; D298-T300 VanDerWaalsContact O-N 3.1Å; D298-T300 WeakPolarHBondContact OD1-CB 3.4Å; D298-T300 PolarHBondContact OD1-N 3.49Å; D298-T300 PolarHBondContact OD1-OG1 2.96Å; D298-T300 PolarHBondContact OD2-OG1 3.28Å; T300-C356 VanDerWaalsContact CB-SG 3.56Å
301	Q	94.6	Very high	93	Very high	99 Å²	99	55.6 Å²	55.6	46%	0.463	30%	0.297	S	S	.	.	S	Bend	trans	-61.6	142.2	-177.4	-70.9	-63.8	-37.2	0	0	112.6	R296 D298 P355	R296-Q301 HydrophobicContact CG-CB 4.43Å; R296-Q301 PolarHBondContact NH1-O 2.94Å; D298-Q301 HydrophobicContact CB-CG 3.82Å; D298-Q301 PolarHBondContact O-N 3.3Å; D298-Q301 PolarHBondContact OD2-NE2 3.45Å; Q301-P355 WeakPolarHBondContact O-CD 3.27Å; Q301-P355 WeakPolarHBondContact O-CG 3.47Å
302	P	96.1	Very high	93.5	Very high	37 Å²	37	47.5 Å²	47.5	24%	0.24	26%	0.259	C	S	.	.			trans	-53.3	143.2	172.7	-24.7	33.7	0	0	0	112.7	E352 L354	P302-E352 HydrophobicContact CB-CB 4.29Å; P302-L354 HydrophobicContact CB-CD2 3.63Å; P302-L354 HydrophobicContact CG-CD2 3.81Å
303	I	96.7	Very high	94.1	Very high	9 Å²	9	43.7 Å²	43.7	5%	0.046	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	119.3	177.6	-60.9	155	0	0	0	108.2	A271 R274 I288 T305 E352 I353 P355	A271-I303 WeakPolarHBondContact O-CD1 2.88Å; R274-I303 HydrophobicContact CB-CG2 4.18Å; I288-I303 HydrophobicContact CD1-CD1 3.72Å; I288-I303 HydrophobicContact CD1-CG1 3.95Å; I288-I303 HydrophobicContact CD1-CG2 3.84Å; I288-I303 HydrophobicContact CG1-CG2 4.03Å; I303-T305 PolarHBondContact O-N 3.19Å; I303-E352 CarbonylContact O-C 3.47Å; I303-E352 VanDerWaalsContact O-CA 3.32Å; I303-E352 WeakPolarHBondContact O-CA 3.42Å; I303-I353 HydrophobicContact CB-CB 4.39Å; I303-I353 PolarHBondContact N-O 3.5Å; I303-I353 PolarHBondContact O-N 3.09Å; I303-P355 HydrophobicContact CD1-CG 3.87Å; I303-P355 HydrophobicContact CG1-CG 4.37Å
304	R	96.8	Very high	94.7	Very high	142 Å²	142	39.6 Å²	39.6	54%	0.536	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	133.1	172.4	-74.2	-172	138.6	-160.9	-7.2	110.5	W345 S350 L351	R304-W345 HydrophobicContact CB-CH2 4.35Å; R304-W345 HydrophobicContact CB-CZ2 4.46Å; R304-W345 HydrophobicContact CG-CH2 4.24Å; R304-S350 VanDerWaalsContact NH2-CB 3.31Å; R304-L351 WeakPolarHBondContact CA-O 3.27Å
305	T	98.4	Very high	95.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	19%	0.187	C	C	.	.			trans	-122.8	130.7	-177.7	-170	0	0	0	0	111.2	G275 I303 V307 I308 W345 L351 I353	G275-T305 WeakPolarHBondContact CA-OG1 3.16Å; G275-T305 PolarHBondContact N-OG1 3.31Å; G275-T305 PolarHBondContact O-OG1 2.97Å; I303-T305 PolarHBondContact O-N 3.19Å; T305-V307 VanDerWaalsContact C-N 3.26Å; T305-V307 PolarHBondContact O-N 2.88Å; T305-V307 PolarHBondContact OG1-O 3.45Å; T305-I308 HydrophobicContact CG2-CG2 3.89Å; T305-W345 WeakPolarHBondContact O-CZ2 3.42Å; T305-W345 PolarHBondContact O-NE1 3.3Å; T305-L351 HydrophobicContact CG2-CB 3.68Å; T305-L351 PolarHBondContact N-O 3.38Å; T305-L351 VanDerWaalsContact N-O 3.07Å; T305-L351 WeakPolarHBondContact O-CB 3.45Å; T305-I353 HydrophobicContact CG2-CD1 4.13Å; T305-I353 HydrophobicContact CG2-CG1 3.97Å
306	P	98.4	Very high	95.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.013	16%	0.16	C	C	.	.	S	Bend	trans	-55.3	-42.1	174.1	-28.8	33.3	0	0	0	113.3	G275 W345 Y431 V435 Y436	G275-P306 VanDerWaalsContact O-CD 3.3Å; G275-P306 WeakPolarHBondContact O-CD 3.26Å; P306-W345 PolarHBondContact O-NE1 3.1Å; P306-Y431 WeakPolarHBondContact CB-OH 3.49Å; P306-Y431 PolarHBondContact O-OH 2.87Å; P306-V435 HydrophobicContact CB-CG1 4.44Å; P306-Y436 HydrophobicContact CB-CD1 3.76Å; P306-Y436 HydrophobicContact CB-CD2 4.09Å; P306-Y436 HydrophobicContact CB-CE1 4.23Å; P306-Y436 HydrophobicContact CB-CG 3.67Å; P306-Y436 HydrophobicContact CG-CD1 4.17Å; P306-Y436 HydrophobicContact CG-CD2 3.55Å; P306-Y436 HydrophobicContact CG-CE2 3.96Å; P306-Y436 HydrophobicContact CG-CG 3.65Å
307	V	98.6	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-140.6	148.1	-177.7	63.3	0	0	0	0	109.8	G275 F277 F283 T305 F338 S341	G275-V307 WeakPolarHBondContact CA-O 3.49Å; F277-V307 HydrophobicContact CD1-CB 4.3Å; F277-V307 HydrophobicContact CD1-CG1 3.98Å; F283-V307 HydrophobicContact CD2-CG1 3.95Å; F283-V307 HydrophobicContact CD2-CG2 4.47Å; F283-V307 HydrophobicContact CE2-CG1 4.01Å; T305-V307 VanDerWaalsContact C-N 3.26Å; T305-V307 PolarHBondContact O-N 2.88Å; T305-V307 PolarHBondContact OG1-O 3.45Å; V307-F338 HydrophobicContact CG2-CD1 3.63Å; V307-F338 HydrophobicContact CG2-CE1 3.85Å; V307-S341 WeakPolarHBondContact CA-OG 3.4Å; V307-S341 WeakPolarHBondContact CG2-OG 3.1Å
308	I	98.3	Very high	96.8	Very high	3 Å²	3	27 Å²	27	2%	0.015	15%	0.146	C	C	.	.			trans	-95.2	156.3	169.4	57.2	169.1	0	0	0	111	V251 T305 G310 F313 N337 L340 S341 L351	V251-I308 HydrophobicContact CG1-CD1 4.47Å; T305-I308 HydrophobicContact CG2-CG2 3.89Å; I308-G310 PolarHBondContact O-N 3.23Å; I308-F313 HydrophobicContact CD1-CB 4.16Å; I308-F313 HydrophobicContact CD1-CD1 4.05Å; I308-F313 HydrophobicContact CD1-CG 4.06Å; I308-N337 PolarHBondContact O-ND2 3.2Å; I308-L340 HydrophobicContact CD1-CD2 4.48Å; I308-S341 PolarHBondContact N-OG 2.98Å; I308-L351 HydrophobicContact CG2-CB 4.28Å; I308-L351 HydrophobicContact CG2-CD1 4.29Å; I308-L351 HydrophobicContact CG2-CD2 4.08Å; I308-L351 HydrophobicContact CG2-CG 4.45Å
309	A	96.5	Very high	97.1	Very high	34 Å²	34	26.1 Å²	26.1	28%	0.281	14%	0.14	S	C	.	.			trans	-62.2	-29.6	172.9	0	0	0	0	0	112	I256 F283 W285	I256-A309 HydrophobicContact CD1-CB 3.95Å; F283-A309 HydrophobicContact CE1-CB 4.22Å; F283-A309 HydrophobicContact CE2-CB 4.26Å; F283-A309 HydrophobicContact CZ-CB 3.86Å; W285-A309 HydrophobicContact CH2-CB 4.38Å; W285-A309 HydrophobicContact CZ2-CB 4.21Å
310	G	94.1	Very high	97.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.01	13%	0.129	C	C	.	.	S	Bend	trans	96.1	-21	174.2	0	0	0	0	0	114.8	R211 I308	R211-G310 PolarHBondContact NH1-O 3Å; R211-G310 PolarHBondContact NH2-O 2.62Å; I308-G310 PolarHBondContact O-N 3.23Å
311	G	94.5	Very high	97.7	Very high	11 Å²	11	26.9 Å²	26.9	11%	0.113	14%	0.142	C	C	.	.	S	Bend	trans	-67.2	-40.3	179.1	0	0	0	0	0	114.5	R211 D227	R211-G311 PolarHBondContact NH2-O 3.34Å; D227-G311 VanDerWaalsContact OD2-CA 3.26Å; D227-G311 WeakPolarHBondContact OD2-CA 3.26Å
312	I	98.6	Very high	97.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	14%	0.143	C	C	.	.	S	Bend	trans	-136.6	114.6	-168.1	-52.8	159.3	0	0	0	110.2	F225 L226 S253 P254 I256 V359 H361	F225-I312 WeakPolarHBondContact O-CA 3.29Å; L226-I312 HydrophobicContact CD2-CB 4.44Å; L226-I312 HydrophobicContact CD2-CG1 4.16Å; L226-I312 HydrophobicContact CD2-CG2 3.58Å; S253-I312 WeakPolarHBondContact CB-O 3.4Å; S253-I312 PolarHBondContact OG-O 2.94Å; P254-I312 HydrophobicContact CG-CB 4.22Å; P254-I312 HydrophobicContact CG-CG2 3.53Å; I256-I312 HydrophobicContact CD1-CD1 4.18Å; I256-I312 HydrophobicContact CG1-CD1 4.12Å; I256-I312 HydrophobicContact CG2-CD1 4.15Å; I312-V359 HydrophobicContact CD1-CB 4.16Å; I312-V359 HydrophobicContact CD1-CG1 3.73Å; I312-V359 HydrophobicContact CG2-CG2 4.44Å; I312-H361 HydrophobicContact CD1-CB 4.42Å
313	F	98.9	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	161	176.7	65.9	-82.9	0	0	0	112.6	F225 V251 V252 I308 M315 Y326 L340	F225-F313 HydrophobicContact CB-CD1 4.1Å; F225-F313 HydrophobicContact CB-CE1 3.84Å; F225-F313 HydrophobicContact CB-CZ 4.2Å; F225-F313 HydrophobicContact CD2-CD1 4.34Å; F225-F313 AromaticContact CD2-CD2 3.91Å; F225-F313 HydrophobicContact CD2-CD2 3.91Å; F225-F313 AromaticContact CD2-CE1 3.78Å; F225-F313 HydrophobicContact CD2-CE1 3.78Å; F225-F313 AromaticContact CD2-CE2 3.3Å; F225-F313 HydrophobicContact CD2-CE2 3.3Å; F225-F313 HydrophobicContact CD2-CG 4.41Å; F225-F313 AromaticContact CD2-CZ 3.22Å; F225-F313 HydrophobicContact CD2-CZ 3.22Å; F225-F313 AromaticContact CE2-CE2 3.6Å; F225-F313 HydrophobicContact CE2-CE2 3.6Å; F225-F313 AromaticContact CE2-CZ 3.63Å; F225-F313 HydrophobicContact CE2-CZ 3.63Å; F225-F313 AromaticContact CG-CE1 3.92Å; F225-F313 HydrophobicContact CG-CE1 3.92Å; F225-F313 HydrophobicContact CG-CE2 4.26Å; F225-F313 AromaticContact CG-CZ 3.77Å; F225-F313 HydrophobicContact CG-CZ 3.77Å; F225-F313 HydrophobicContact CZ-CZ 4.47Å; F225-F313 PolarHBondContact N-O 2.02Å; F225-F313 PolarHBondContact O-N 2.81Å; V251-F313 HydrophobicContact CG1-CB 4.27Å; V251-F313 HydrophobicContact CG1-CD2 3.76Å; V251-F313 HydrophobicContact CG1-CG 4.32Å; V252-F313 CarbonylContact O-C 3.08Å; V252-F313 WeakPolarHBondContact O-CA 3.41Å; V252-F313 WeakPolarHBondContact O-CB 3.39Å; I308-F313 HydrophobicContact CD1-CB 4.16Å; I308-F313 HydrophobicContact CD1-CD1 4.05Å; I308-F313 HydrophobicContact CD1-CG 4.06Å; F313-M315 HydrophobicContact CD2-CB 4.28Å; F313-M315 HydrophobicContact CE2-CB 4.34Å; F313-Y326 WeakPolarHBondContact CE1-OH 3.34Å; F313-Y326 HydrophobicContact CZ-CE2 4.42Å; F313-Y326 WeakPolarHBondContact CZ-OH 3.46Å; F313-L340 HydrophobicContact CE2-CD2 4.07Å; F313-L340 HydrophobicContact CZ-CD2 3.92Å
314	V	98.9	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.4	175.5	-176	0	0	0	0	109.4	I222 L223 T224 M240 V244 V252	I222-V314 HydrophobicContact CG2-CG1 3.33Å; L223-V314 VanDerWaalsContact O-CA 3.3Å; L223-V314 WeakPolarHBondContact O-CA 3.38Å; T224-V314 HydrophobicContact CG2-CG2 3.89Å; T224-V314 WeakPolarHBondContact OG1-CG2 3.24Å; M240-V314 HydrophobicContact CB-CB 4.12Å; M240-V314 HydrophobicContact CB-CG2 3.75Å; M240-V314 HydrophobicContact CE-CG2 3.64Å; M240-V314 HydrophobicContact CG-CG2 4.3Å; M240-V314 HydrophobicContact SD-CG2 3.66Å; V244-V314 HydrophobicContact CG2-CG1 4.1Å; V252-V314 HydrophobicContact CG2-CB 3.88Å; V252-V314 PolarHBondContact N-O 2.97Å; V252-V314 PolarHBondContact O-N 2.63Å
315	M	98.8	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	146.9	-176.7	-176.4	173	-170.9	0	0	111	L223 V251 F313 W319 F320 L323 V344	L223-M315 PolarHBondContact N-O 3.48Å; L223-M315 PolarHBondContact O-N 3.16Å; V251-M315 HydrophobicContact CG1-CB 4.48Å; V251-M315 HydrophobicContact CG2-CB 4.28Å; V251-M315 HydrophobicContact CG2-CE 3.78Å; V251-M315 HydrophobicContact CG2-CG 3.78Å; V251-M315 HydrophobicContact CG2-SD 3.62Å; F313-M315 HydrophobicContact CD2-CB 4.28Å; F313-M315 HydrophobicContact CE2-CB 4.34Å; M315-W319 HydrophobicContact CE-CB 4.24Å; M315-W319 HydrophobicContact CE-CG 3.77Å; M315-F320 HydrophobicContact CE-CB 4.17Å; M315-F320 HydrophobicContact CG-CB 4.36Å; M315-F320 HydrophobicContact SD-CB 3.94Å; M315-F320 HydrophobicContact SD-CD2 3.89Å; M315-F320 HydrophobicContact SD-CG 4.42Å; M315-L323 HydrophobicContact CE-CD1 3.75Å; M315-V344 HydrophobicContact CE-CG2 4.49Å
316	D	98.9	Very high	98.1	Very high	22 Å²	22	21.1 Å²	21.1	12%	0.118	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	133.9	170.4	177.8	-90.5	0	0	0	111.1	V244 H248 S318 W319 F320	V244-D316 HydrophobicContact CG1-CB 3.86Å; H248-D316 HydrophobicContact CB-CB 3.91Å; H248-D316 WeakPolarHBondContact O-CB 3.05Å; D316-S318 PolarHBondContact O-N 2.84Å; D316-S318 VanDerWaalsContact OD1-CA 3.3Å; D316-S318 WeakPolarHBondContact OD1-CA 3.1Å; D316-S318 VanDerWaalsContact OD1-CB 3.24Å; D316-S318 WeakPolarHBondContact OD1-CB 3.27Å; D316-S318 PolarHBondContact OD1-N 3.14Å; D316-S318 PolarHBondContact OD1-OG 3.33Å; D316-W319 HydrophobicContact CB-CB 3.98Å; D316-W319 PolarHBondContact O-N 3.2Å; D316-W319 PolarHBondContact OD1-N 2.92Å; D316-F320 PolarHBondContact O-N 3.37Å
317	K	98.8	Very high	98.1	Very high	45 Å²	45	21.1 Å²	21.1	20%	0.196	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-40.5	-177.2	-176.9	178.5	178.2	-174.7	0	111.9	A215 A218 A220 T221 L223 W319 F320 N321	A215-K317 VanDerWaalsContact O-CE 3.26Å; A215-K317 WeakPolarHBondContact O-CE 3.43Å; A218-K317 PolarHBondContact O-NZ 3.43Å; A220-K317 WeakPolarHBondContact O-CD 3.38Å; T221-K317 WeakPolarHBondContact O-CB 3.33Å; T221-K317 PolarHBondContact O-N 2.94Å; L223-K317 HydrophobicContact CD1-CB 4.17Å; L223-K317 HydrophobicContact CD1-CG 4.14Å; L223-K317 HydrophobicContact CD2-CB 4.07Å; L223-K317 HydrophobicContact CD2-CD 4.16Å; L223-K317 HydrophobicContact CD2-CG 4.06Å; L223-K317 HydrophobicContact CG-CB 3.84Å; L223-K317 HydrophobicContact CG-CG 4.15Å; K317-W319 VanDerWaalsContact C-N 3.29Å; K317-W319 PolarHBondContact O-N 3.02Å; K317-F320 PolarHBondContact O-N 3.3Å; K317-N321 WeakPolarHBondContact O-CB 3.36Å; K317-N321 VanDerWaalsContact O-CG 3.28Å; K317-N321 PolarHBondContact O-N 2.83Å; K317-N321 PolarHBondContact O-ND2 2.66Å
318	S	98.8	Very high	98.1	Very high	73 Å²	73	23.7 Å²	23.7	51%	0.51	14%	0.138	S	C	.	.	H	α-helix	trans	-65.9	-38	179.2	82.2	0	0	0	0	110.6	D316 N321 H322	D316-S318 PolarHBondContact O-N 2.84Å; D316-S318 VanDerWaalsContact OD1-CA 3.3Å; D316-S318 WeakPolarHBondContact OD1-CA 3.1Å; D316-S318 VanDerWaalsContact OD1-CB 3.24Å; D316-S318 WeakPolarHBondContact OD1-CB 3.27Å; D316-S318 PolarHBondContact OD1-N 3.14Å; D316-S318 PolarHBondContact OD1-OG 3.33Å; S318-N321 PolarHBondContact O-N 2.67Å; S318-H322 VanDerWaalsContact O-CB 3.26Å; S318-H322 WeakPolarHBondContact O-CB 3.37Å; S318-H322 PolarHBondContact O-N 3.46Å
319	W	98.8	Very high	98	Very high	18 Å²	18	28 Å²	28	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-43.4	174.3	-172.9	-132.4	0	0	0	112.4	H248 T249 M315 D316 K317 N321 H322 L323	H248-W319 WeakPolarHBondContact O-CB 3.46Å; T249-W319 HydrophobicContact CG2-CD2 4.41Å; T249-W319 HydrophobicContact CG2-CE3 4.45Å; T249-W319 HydrophobicContact CG2-CH2 4.42Å; T249-W319 HydrophobicContact CG2-CZ2 4.34Å; T249-W319 HydrophobicContact CG2-CZ3 4.44Å; T249-W319 PolarHBondContact O-NE1 3.21Å; T249-W319 VanDerWaalsContact O-NE1 3.11Å; M315-W319 HydrophobicContact CE-CB 4.24Å; M315-W319 HydrophobicContact CE-CG 3.77Å; D316-W319 HydrophobicContact CB-CB 3.98Å; D316-W319 PolarHBondContact O-N 3.2Å; D316-W319 PolarHBondContact OD1-N 2.92Å; K317-W319 VanDerWaalsContact C-N 3.29Å; K317-W319 PolarHBondContact O-N 3.02Å; W319-N321 VanDerWaalsContact C-N 3.28Å; W319-N321 PolarHBondContact O-N 3Å; W319-H322 HydrophobicContact CE3-CB 4.11Å; W319-H322 AromaticContact CE3-CD2 3.62Å; W319-H322 AromaticContact CH2-CD2 4Å; W319-H322 AromaticContact CZ3-CD2 3.16Å; W319-H322 WeakPolarHBondContact CZ3-CD2 3.41Å; W319-H322 AromaticContact CZ3-NE2 3.76Å; W319-H322 PolarHBondContact O-N 2.87Å; W319-L323 HydrophobicContact CD2-CD1 4.2Å; W319-L323 HydrophobicContact CD2-CG 4.01Å; W319-L323 HydrophobicContact CE3-CG 4.35Å; W319-L323 HydrophobicContact CH2-CD2 3.7Å; W319-L323 HydrophobicContact CH2-CG 4.11Å; W319-L323 HydrophobicContact CZ2-CD1 3.72Å; W319-L323 HydrophobicContact CZ2-CD2 3.64Å; W319-L323 HydrophobicContact CZ2-CG 3.76Å; W319-L323 HydrophobicContact CZ3-CD2 4.26Å; W319-L323 HydrophobicContact CZ3-CG 4.41Å; W319-L323 WeakPolarHBondContact O-CB 3.44Å; W319-L323 PolarHBondContact O-N 3.42Å
320	F	98.8	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.7	-43.5	173.8	-179.6	-102.7	0	0	0	111.6	V212 A215 L223 M315 D316 K317 G324 Q325 Y326	V212-F320 HydrophobicContact CG2-CZ 4.46Å; A215-F320 HydrophobicContact CB-CD1 3.92Å; A215-F320 HydrophobicContact CB-CE1 3.47Å; A215-F320 VanDerWaalsContact CB-CE1 3.47Å; A215-F320 HydrophobicContact CB-CZ 4.24Å; L223-F320 HydrophobicContact CD1-CB 4.05Å; L223-F320 HydrophobicContact CD1-CD1 3.92Å; L223-F320 HydrophobicContact CD1-CG 4.01Å; M315-F320 HydrophobicContact CE-CB 4.17Å; M315-F320 HydrophobicContact CG-CB 4.36Å; M315-F320 HydrophobicContact SD-CB 3.94Å; M315-F320 HydrophobicContact SD-CD2 3.89Å; M315-F320 HydrophobicContact SD-CG 4.42Å; D316-F320 PolarHBondContact O-N 3.37Å; K317-F320 PolarHBondContact O-N 3.3Å; F320-G324 PolarHBondContact O-N 3.45Å; F320-Q325 HydrophobicContact CD1-CB 4.2Å; F320-Q325 HydrophobicContact CD1-CG 3.86Å; F320-Q325 HydrophobicContact CE1-CB 3.53Å; F320-Q325 HydrophobicContact CE1-CG 3.55Å; F320-Q325 HydrophobicContact CZ-CB 3.72Å; F320-Q325 HydrophobicContact CZ-CG 4.27Å; F320-Q325 WeakPolarHBondContact O-CA 3.37Å; F320-Q325 PolarHBondContact O-N 2.95Å; F320-Y326 HydrophobicContact CE2-CD2 4.09Å; F320-Y326 HydrophobicContact CE2-CE2 4.25Å; F320-Y326 HydrophobicContact CZ-CD2 4.05Å
321	N	98.7	Very high	98.1	Very high	66 Å²	66	27.7 Å²	27.7	35%	0.353	15%	0.151	S	C	.	.	H	α-helix	trans	-69.2	-43.3	176.4	-70	-23.9	0	0	0	112.5	K317 S318 W319 L323 G324 Q325	K317-N321 WeakPolarHBondContact O-CB 3.36Å; K317-N321 VanDerWaalsContact O-CG 3.28Å; K317-N321 PolarHBondContact O-N 2.83Å; K317-N321 PolarHBondContact O-ND2 2.66Å; S318-N321 PolarHBondContact O-N 2.67Å; W319-N321 VanDerWaalsContact C-N 3.28Å; W319-N321 PolarHBondContact O-N 3Å; N321-L323 VanDerWaalsContact C-N 3.33Å; N321-L323 PolarHBondContact O-N 2.75Å; N321-G324 WeakPolarHBondContact O-CA 3.41Å; N321-G324 PolarHBondContact O-N 3.41Å; N321-Q325 PolarHBondContact OD1-NE2 3.41Å
322	H	98.6	Very high	98	Very high	107 Å²	107	27.7 Å²	27.7	50%	0.495	15%	0.149	S	C	.	.	H	α-helix	trans	-59.5	-44.4	178.6	177	84.7	0	0	0	111.6	S318 W319 G324 L423	S318-H322 VanDerWaalsContact O-CB 3.26Å; S318-H322 WeakPolarHBondContact O-CB 3.37Å; S318-H322 PolarHBondContact O-N 3.46Å; W319-H322 HydrophobicContact CE3-CB 4.11Å; W319-H322 AromaticContact CE3-CD2 3.62Å; W319-H322 AromaticContact CH2-CD2 4Å; W319-H322 AromaticContact CZ3-CD2 3.16Å; W319-H322 WeakPolarHBondContact CZ3-CD2 3.41Å; W319-H322 AromaticContact CZ3-NE2 3.76Å; W319-H322 PolarHBondContact O-N 2.87Å; H322-G324 PolarHBondContact O-N 3.42Å; H322-G324 VanDerWaalsContact O-N 3.16Å; H322-L423 VanDerWaalsContact NE2-CD2 3.27Å; H322-L423 WeakPolarHBondContact NE2-CD2 3.49Å
323	L	98.6	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-6.4	175.7	-71.1	-174.3	0	0	0	112.7	M315 W319 N321 R343 V344 C347 L419 L423	M315-L323 HydrophobicContact CE-CD1 3.75Å; W319-L323 HydrophobicContact CD2-CD1 4.2Å; W319-L323 HydrophobicContact CD2-CG 4.01Å; W319-L323 HydrophobicContact CE3-CG 4.35Å; W319-L323 HydrophobicContact CH2-CD2 3.7Å; W319-L323 HydrophobicContact CH2-CG 4.11Å; W319-L323 HydrophobicContact CZ2-CD1 3.72Å; W319-L323 HydrophobicContact CZ2-CD2 3.64Å; W319-L323 HydrophobicContact CZ2-CG 3.76Å; W319-L323 HydrophobicContact CZ3-CD2 4.26Å; W319-L323 HydrophobicContact CZ3-CG 4.41Å; W319-L323 WeakPolarHBondContact O-CB 3.44Å; W319-L323 PolarHBondContact O-N 3.42Å; N321-L323 VanDerWaalsContact C-N 3.33Å; N321-L323 PolarHBondContact O-N 2.75Å; L323-R343 VanDerWaalsContact C-NH1 3.28Å; L323-R343 HydrophobicContact CD2-CG 4.34Å; L323-R343 VanDerWaalsContact O-CD 3.28Å; L323-R343 WeakPolarHBondContact O-CD 3.27Å; L323-R343 PolarHBondContact O-NH1 3.3Å; L323-V344 HydrophobicContact CD1-CB 4.42Å; L323-V344 HydrophobicContact CD1-CG2 3.66Å; L323-C347 HydrophobicContact CD2-CB 3.87Å; L323-L419 WeakPolarHBondContact O-CD2 3.18Å; L323-L423 HydrophobicContact CD2-CD1 3.97Å
324	G	98.3	Very high	97.5	Very high	19 Å²	19	31.5 Å²	31.5	20%	0.196	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	29.9	178	0	0	0	0	0	114.5	F320 N321 H322 R416	F320-G324 PolarHBondContact O-N 3.45Å; N321-G324 WeakPolarHBondContact O-CA 3.41Å; N321-G324 PolarHBondContact O-N 3.41Å; H322-G324 PolarHBondContact O-N 3.42Å; H322-G324 VanDerWaalsContact O-N 3.16Å; G324-R416 PolarHBondContact O-NH1 3.16Å
325	Q	98.3	Very high	97.4	Very high	39 Å²	39	31.5 Å²	31.5	18%	0.182	16%	0.163	C	C	.	.			trans	57.7	-141	172.2	-54.2	-174.1	-26.7	0	0	112.5	V212 N216 F320 N321 R343	V212-Q325 VanDerWaalsContact CG1-OE1 3.22Å; V212-Q325 HydrophobicContact CG2-CB 4.25Å; N216-Q325 PolarHBondContact OD1-NE2 3.26Å; F320-Q325 HydrophobicContact CD1-CB 4.2Å; F320-Q325 HydrophobicContact CD1-CG 3.86Å; F320-Q325 HydrophobicContact CE1-CB 3.53Å; F320-Q325 HydrophobicContact CE1-CG 3.55Å; F320-Q325 HydrophobicContact CZ-CB 3.72Å; F320-Q325 HydrophobicContact CZ-CG 4.27Å; F320-Q325 WeakPolarHBondContact O-CA 3.37Å; F320-Q325 PolarHBondContact O-N 2.95Å; N321-Q325 PolarHBondContact OD1-NE2 3.41Å; Q325-R343 PolarHBondContact O-NH1 2.67Å; Q325-R343 PolarHBondContact O-NH2 2.89Å
326	Y	98.5	Very high	97.3	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.008	16%	0.164	C	C	.	.	S	Bend	trans	-95.1	159.8	164.6	-80.9	-70.5	0	0	0	111.1	I208 R211 V212 F313 F320 T328 E336 L340	I208-Y326 HydrophobicContact CG2-CD1 4.41Å; I208-Y326 HydrophobicContact CG2-CG 3.95Å; R211-Y326 HydrophobicContact CB-CD2 4.38Å; R211-Y326 HydrophobicContact CB-CE2 4.25Å; V212-Y326 HydrophobicContact CG2-CD2 4.29Å; F313-Y326 WeakPolarHBondContact CE1-OH 3.34Å; F313-Y326 HydrophobicContact CZ-CE2 4.42Å; F313-Y326 WeakPolarHBondContact CZ-OH 3.46Å; F320-Y326 HydrophobicContact CE2-CD2 4.09Å; F320-Y326 HydrophobicContact CE2-CE2 4.25Å; F320-Y326 HydrophobicContact CZ-CD2 4.05Å; Y326-T328 PolarHBondContact O-N 2.85Å; Y326-T328 VanDerWaalsContact O-N 3.12Å; Y326-E336 HydrophobicContact CD1-CB 3.95Å; Y326-E336 HydrophobicContact CD1-CG 4.44Å; Y326-E336 HydrophobicContact CE1-CB 3.74Å; Y326-E336 HydrophobicContact CE1-CG 3.81Å; Y326-L340 HydrophobicContact CD1-CB 4.46Å; Y326-L340 HydrophobicContact CE1-CB 3.82Å; Y326-L340 HydrophobicContact CE1-CD2 3.93Å; Y326-L340 HydrophobicContact CE1-CG 4.4Å
327	D	98.4	Very high	97.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.161	C	C	.	.			trans	-68	102	166.4	-176.2	1.9	0	0	0	111	H329 M330 R385 R416	D327-H329 PolarHBondContact O-N 2.99Å; D327-H329 PolarHBondContact OD1-N 2.04Å; D327-H329 IonicContact OD1-ND1 3.53Å; D327-M330 HydrophobicContact CB-CE 4.26Å; D327-M330 HydrophobicContact CB-CG 4.09Å; D327-M330 HydrophobicContact CB-SD 4.36Å; D327-M330 WeakPolarHBondContact O-CB 3.32Å; D327-M330 PolarHBondContact O-N 3.47Å; D327-M330 VanDerWaalsContact O-N 3.11Å; D327-R385 VanDerWaalsContact CG-NH2 3.26Å; D327-R385 IonicContact OD1-CZ 3.89Å; D327-R385 IonicContact OD1-NE 3.65Å; D327-R385 IonicContact OD1-NH2 2.65Å; D327-R385 PolarHBondContact OD1-NH2 3Å; D327-R385 IonicContact OD2-CZ 2.8Å; D327-R385 IonicContact OD2-NE 3.75Å; D327-R385 PolarHBondContact OD2-NE 2.77Å; D327-R385 IonicContact OD2-NH2 2.65Å; D327-R385 PolarHBondContact OD2-NH2 2.93Å; D327-R416 HydrophobicContact CB-CG 4.43Å
328	T	97.6	Very high	97.3	Very high	54 Å²	54	29 Å²	29	33%	0.331	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-9.4	-175.3	52.3	0	0	0	0	114.3	R209 V212 Y326 M330	R209-T328 VanDerWaalsContact CD-O 3.32Å; R209-T328 WeakPolarHBondContact CD-O 3.5Å; R209-T328 HydrophobicContact CG-CG2 4.42Å; R209-T328 PolarHBondContact NH1-O 3.12Å; V212-T328 HydrophobicContact CG1-CG2 4.33Å; V212-T328 HydrophobicContact CG2-CG2 4.26Å; Y326-T328 PolarHBondContact O-N 2.85Å; Y326-T328 VanDerWaalsContact O-N 3.12Å; T328-M330 VanDerWaalsContact C-N 3.32Å
329	H	97.4	Very high	97.3	Very high	94 Å²	94	25.6 Å²	25.6	44%	0.435	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.2	172.7	-62.6	114.9	0	0	0	113.3	D327	D327-H329 PolarHBondContact O-N 2.99Å; D327-H329 PolarHBondContact OD1-N 2.04Å; D327-H329 IonicContact OD1-ND1 3.53Å
330	M	97.3	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-77.3	146.3	164.9	-67	-173.1	174.6	0	0	110.7	I208 R209 D327 T328 E336 E339 N382 R385 A386	I208-M330 HydrophobicContact CD1-CB 3.3Å; I208-M330 HydrophobicContact CD1-CG 4.29Å; I208-M330 HydrophobicContact CD1-SD 4.07Å; I208-M330 HydrophobicContact CG2-CB 4.43Å; R209-M330 PolarHBondContact NH1-O 2.86Å; D327-M330 HydrophobicContact CB-CE 4.26Å; D327-M330 HydrophobicContact CB-CG 4.09Å; D327-M330 HydrophobicContact CB-SD 4.36Å; D327-M330 WeakPolarHBondContact O-CB 3.32Å; D327-M330 PolarHBondContact O-N 3.47Å; D327-M330 VanDerWaalsContact O-N 3.11Å; T328-M330 VanDerWaalsContact C-N 3.32Å; M330-E336 HydrophobicContact SD-CB 4.18Å; M330-E339 HydrophobicContact CE-CB 3.67Å; M330-E339 HydrophobicContact CE-CG 3.71Å; M330-N382 VanDerWaalsContact CA-OD1 3.25Å; M330-N382 WeakPolarHBondContact CA-OD1 3.26Å; M330-N382 HydrophobicContact CB-CB 4.32Å; M330-N382 WeakPolarHBondContact CB-OD1 2.93Å; M330-N382 WeakPolarHBondContact CE-O 3.41Å; M330-N382 HydrophobicContact CG-CB 4.09Å; M330-N382 HydrophobicContact SD-CB 4.15Å; M330-R385 HydrophobicContact CE-CB 4.08Å; M330-A386 HydrophobicContact CE-CB 4.31Å
331	D	94.3	Very high	97.3	Very high	28 Å²	28	24.8 Å²	24.8	15%	0.15	13%	0.125	C	C	.	.			trans	-112.5	143.3	-173.5	-68	-39.2	0	0	0	113.2	R209 W333 T378 K381 N382	R209-D331 IonicContact CZ-OD1 3.12Å; R209-D331 IonicContact NH1-OD1 3.5Å; R209-D331 PolarHBondContact NH1-OD1 2.77Å; R209-D331 IonicContact NH2-OD1 2.84Å; R209-D331 PolarHBondContact NH2-OD1 3Å; D331-W333 VanDerWaalsContact C-N 3.3Å; D331-W333 PolarHBondContact O-N 2.68Å; D331-T378 HydrophobicContact CB-CG2 4.02Å; D331-T378 WeakPolarHBondContact O-CG2 3.32Å; D331-K381 WeakPolarHBondContact OD2-CD 3.24Å; D331-K381 VanDerWaalsContact OD2-CE 3.24Å; D331-K381 WeakPolarHBondContact OD2-CE 3.36Å; D331-K381 IonicContact OD2-NZ 4Å; D331-K381 PolarHBondContact OD2-NZ 3.35Å; D331-N382 PolarHBondContact N-OD1 3.32Å; D331-N382 PolarHBondContact O-ND2 3.45Å
332	I	92.7	Very high	97.3	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.062	11%	0.108	C	C	.	.	S	Bend	trans	53.4	-79.1	170.6	-51.2	-55.7	0	0	0	114.2	R204 L207 Y369 F371 T378	R204-I332 HydrophobicContact CG-CD1 4.29Å; L207-I332 WeakPolarHBondContact CB-O 3.29Å; L207-I332 PolarHBondContact N-O 2.77Å; I332-Y369 HydrophobicContact CG2-CD2 4.43Å; I332-Y369 HydrophobicContact CG2-CE2 4.2Å; I332-F371 HydrophobicContact CB-CD1 4.22Å; I332-F371 HydrophobicContact CB-CE1 4.29Å; I332-F371 HydrophobicContact CG2-CD1 3.95Å; I332-F371 HydrophobicContact CG2-CE1 3.79Å; I332-F371 HydrophobicContact CG2-CZ 4.42Å; I332-T378 HydrophobicContact CB-CG2 4.21Å
333	W	93.8	Very high	97.3	Very high	80 Å²	80	16.5 Å²	16.5	30%	0.303	8%	0.084	S	C	.	.	S	Bend	trans	-157.1	147.2	-171	178.6	88.6	0	0	0	111.8	D331 H367 F371 Y379 N382	D331-W333 VanDerWaalsContact C-N 3.3Å; D331-W333 PolarHBondContact O-N 2.68Å; W333-H367 AromaticContact CD2-CE1 3.8Å; W333-H367 AromaticContact CE2-CE1 3.84Å; W333-H367 AromaticContact CE3-CE1 3.72Å; W333-H367 AromaticContact CE3-NE2 3.92Å; W333-H367 AromaticContact CH2-CE1 3.76Å; W333-H367 AromaticContact CH2-NE2 3.95Å; W333-H367 AromaticContact CZ2-CE1 3.84Å; W333-H367 AromaticContact CZ3-CE1 3.7Å; W333-H367 AromaticContact CZ3-NE2 3.65Å; W333-F371 HydrophobicContact CB-CE1 4.28Å; W333-Y379 HydrophobicContact CE3-CD2 4.35Å; W333-Y379 HydrophobicContact CH2-CE2 4.36Å; W333-Y379 AromaticContact CZ3-CD2 3.83Å; W333-Y379 HydrophobicContact CZ3-CD2 3.83Å; W333-Y379 AromaticContact CZ3-CE2 3.97Å; W333-Y379 HydrophobicContact CZ3-CE2 3.97Å; W333-N382 PolarHBondContact O-ND2 3.12Å
334	G	93.5	Very high	97.3	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.01	8%	0.084	C	C	.	.	S	Bend	trans	95.9	144.2	167.8	0	0	0	0	0	113	E336 N382	G334-E336 VanDerWaalsContact C-N 3.26Å; G334-E336 WeakPolarHBondContact CA-OE2 3.16Å; G334-E336 PolarHBondContact N-OE2 2.84Å; G334-E336 PolarHBondContact O-N 3.45Å; G334-N382 WeakPolarHBondContact O-CB 3.16Å; G334-N382 PolarHBondContact O-ND2 2.89Å
335	G	96.1	Very high	97.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	88.9	-25.3	179.3	0	0	0	0	0	114.3	N337 F338 E339	G335-N337 VanDerWaalsContact C-N 3.28Å; G335-N337 PolarHBondContact O-N 2.74Å; G335-F338 PolarHBondContact O-N 3.27Å; G335-E339 PolarHBondContact O-N 2.87Å; G335-E339 VanDerWaalsContact O-N 3.1Å
336	E	97.9	Very high	97.4	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.028	7%	0.068	C	C	.	.	H	α-helix	trans	-66.6	-32	-177.2	82.6	-66.7	166.5	0	0	112.5	I208 Y326 M330 G334 E339 L340	I208-E336 HydrophobicContact CD1-CB 3.76Å; I208-E336 HydrophobicContact CD1-CG 4.4Å; I208-E336 HydrophobicContact CG1-CB 3.81Å; I208-E336 HydrophobicContact CG1-CG 4.03Å; Y326-E336 HydrophobicContact CD1-CB 3.95Å; Y326-E336 HydrophobicContact CD1-CG 4.44Å; Y326-E336 HydrophobicContact CE1-CB 3.74Å; Y326-E336 HydrophobicContact CE1-CG 3.81Å; M330-E336 HydrophobicContact SD-CB 4.18Å; G334-E336 VanDerWaalsContact C-N 3.26Å; G334-E336 WeakPolarHBondContact CA-OE2 3.16Å; G334-E336 PolarHBondContact N-OE2 2.84Å; G334-E336 PolarHBondContact O-N 3.45Å; E336-E339 PolarHBondContact O-N 3.36Å; E336-L340 WeakPolarHBondContact O-CB 3.43Å; E336-L340 PolarHBondContact O-N 2.82Å
337	N	98.1	Very high	97.4	Very high	10 Å²	10	15 Å²	15	5%	0.053	7%	0.073	C	C	.	.	H	α-helix	trans	-65.8	-39.2	177.3	69.3	-56	0	0	0	111.3	I308 G335 S341	I308-N337 PolarHBondContact O-ND2 3.2Å; G335-N337 VanDerWaalsContact C-N 3.28Å; G335-N337 PolarHBondContact O-N 2.74Å; N337-S341 WeakPolarHBondContact O-CB 3.36Å; N337-S341 PolarHBondContact O-N 3.49Å; N337-S341 VanDerWaalsContact O-N 3.09Å; N337-S341 PolarHBondContact O-OG 3.34Å
338	F	98.7	Very high	97.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69.6	-47.3	173.9	-59.6	-63.2	0	0	0	111.8	F277 L281 F283 V307 G335 L340 S341 F342	F277-F338 HydrophobicContact CB-CD1 4.42Å; F277-F338 HydrophobicContact CB-CE1 3.6Å; F277-F338 HydrophobicContact CB-CZ 4.25Å; F277-F338 HydrophobicContact CD1-CD1 4.4Å; F277-F338 HydrophobicContact CD1-CE1 4.29Å; F277-F338 HydrophobicContact CG-CD1 4.35Å; F277-F338 AromaticContact CG-CE1 4Å; F277-F338 HydrophobicContact CG-CE1 4Å; L281-F338 HydrophobicContact CB-CD2 4.24Å; L281-F338 HydrophobicContact CB-CE2 4.19Å; L281-F338 HydrophobicContact CD2-CD1 4.48Å; L281-F338 HydrophobicContact CD2-CG 4.41Å; L281-F338 WeakPolarHBondContact O-CE2 3Å; L281-F338 WeakPolarHBondContact O-CZ 3.4Å; F283-F338 HydrophobicContact CB-CE1 4.4Å; F283-F338 HydrophobicContact CB-CZ 3.87Å; V307-F338 HydrophobicContact CG2-CD1 3.63Å; V307-F338 HydrophobicContact CG2-CE1 3.85Å; G335-F338 PolarHBondContact O-N 3.27Å; F338-L340 PolarHBondContact O-N 3.29Å; F338-S341 PolarHBondContact O-N 2.91Å; F338-F342 HydrophobicContact CB-CD2 4.45Å; F338-F342 HydrophobicContact CB-CE2 3.96Å; F338-F342 HydrophobicContact CB-CZ 4.08Å; F338-F342 HydrophobicContact CD1-CZ 4.35Å; F338-F342 WeakPolarHBondContact O-CB 3.32Å; F338-F342 WeakPolarHBondContact O-CD2 3.16Å; F338-F342 WeakPolarHBondContact O-CG 3.28Å; F338-F342 PolarHBondContact O-N 3.03Å
339	E	98.8	Very high	97.4	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-58.3	-49.6	-178.7	-169.9	-76.8	145.4	0	0	111.6	M330 G335 E336 S341 R343 A386 W390	M330-E339 HydrophobicContact CE-CB 3.67Å; M330-E339 HydrophobicContact CE-CG 3.71Å; G335-E339 PolarHBondContact O-N 2.87Å; G335-E339 VanDerWaalsContact O-N 3.1Å; E336-E339 PolarHBondContact O-N 3.36Å; E339-S341 PolarHBondContact O-N 3.06Å; E339-R343 VanDerWaalsContact O-CB 3.25Å; E339-R343 WeakPolarHBondContact O-CB 3.13Å; E339-R343 PolarHBondContact O-N 2.86Å; E339-R343 IonicContact OE1-CZ 3.56Å; E339-R343 IonicContact OE1-NE 2.88Å; E339-R343 PolarHBondContact OE1-NE 2.7Å; E339-R343 IonicContact OE1-NH2 3.44Å; E339-R343 PolarHBondContact OE1-NH2 2.98Å; E339-R343 IonicContact OE2-CZ 3.11Å; E339-R343 IonicContact OE2-NE 3.88Å; E339-R343 IonicContact OE2-NH2 3.94Å; E339-R343 PolarHBondContact OE2-NH2 3.46Å; E339-A386 HydrophobicContact CB-CB 4Å; E339-A386 HydrophobicContact CG-CB 4.48Å; E339-W390 PolarHBondContact OE1-NE1 3.36Å; E339-W390 VanDerWaalsContact OE1-NE1 3.12Å
340	L	98.8	Very high	97.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.7	-42.7	176.5	-179.4	63.4	0	0	0	111.2	I308 F313 Y326 E336 F338 R343 V344	I308-L340 HydrophobicContact CD1-CD2 4.48Å; F313-L340 HydrophobicContact CE2-CD2 4.07Å; F313-L340 HydrophobicContact CZ-CD2 3.92Å; Y326-L340 HydrophobicContact CD1-CB 4.46Å; Y326-L340 HydrophobicContact CE1-CB 3.82Å; Y326-L340 HydrophobicContact CE1-CD2 3.93Å; Y326-L340 HydrophobicContact CE1-CG 4.4Å; E336-L340 WeakPolarHBondContact O-CB 3.43Å; E336-L340 PolarHBondContact O-N 2.82Å; F338-L340 PolarHBondContact O-N 3.29Å; L340-R343 PolarHBondContact O-N 3.48Å; L340-V344 HydrophobicContact CD1-CG2 3.92Å; L340-V344 HydrophobicContact CG-CG2 4.22Å; L340-V344 WeakPolarHBondContact O-CB 3.5Å; L340-V344 VanDerWaalsContact O-CG2 3.24Å; L340-V344 WeakPolarHBondContact O-CG2 3.34Å; L340-V344 PolarHBondContact O-N 3.16Å
341	S	98.9	Very high	97.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.6	-47.4	-178.1	-64.1	0	0	0	0	112.5	V307 I308 N337 F338 E339 R343 V344 W345 L351	V307-S341 WeakPolarHBondContact CA-OG 3.4Å; V307-S341 WeakPolarHBondContact CG2-OG 3.1Å; I308-S341 PolarHBondContact N-OG 2.98Å; N337-S341 WeakPolarHBondContact O-CB 3.36Å; N337-S341 PolarHBondContact O-N 3.49Å; N337-S341 VanDerWaalsContact O-N 3.09Å; N337-S341 PolarHBondContact O-OG 3.34Å; F338-S341 PolarHBondContact O-N 2.91Å; E339-S341 PolarHBondContact O-N 3.06Å; S341-R343 VanDerWaalsContact C-N 3.35Å; S341-V344 PolarHBondContact O-N 3.47Å; S341-W345 VanDerWaalsContact O-CD1 3.31Å; S341-W345 PolarHBondContact O-N 3.34Å; S341-W345 VanDerWaalsContact O-N 3.14Å; S341-L351 VanDerWaalsContact CB-CD1 3.45Å; S341-L351 WeakPolarHBondContact OG-CD1 3.47Å
342	F	98.9	Very high	97.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-46.7	176.7	-61.9	-20	0	0	0	110.5	F277 L281 F338 W345 M346 W390 M391 F428 Y431	F277-F342 AromaticContact CE1-CE1 3.61Å; F277-F342 HydrophobicContact CE1-CE1 3.61Å; F277-F342 AromaticContact CE1-CZ 3.99Å; F277-F342 HydrophobicContact CE1-CZ 3.99Å; F277-F342 HydrophobicContact CE2-CE1 4.4Å; F277-F342 HydrophobicContact CE2-CZ 4.02Å; F277-F342 AromaticContact CZ-CE1 3.55Å; F277-F342 HydrophobicContact CZ-CE1 3.55Å; F277-F342 AromaticContact CZ-CZ 3.61Å; F277-F342 HydrophobicContact CZ-CZ 3.61Å; L281-F342 HydrophobicContact CD2-CE2 4.16Å; L281-F342 HydrophobicContact CD2-CZ 3.96Å; F338-F342 HydrophobicContact CB-CD2 4.45Å; F338-F342 HydrophobicContact CB-CE2 3.96Å; F338-F342 HydrophobicContact CB-CZ 4.08Å; F338-F342 HydrophobicContact CD1-CZ 4.35Å; F338-F342 WeakPolarHBondContact O-CB 3.32Å; F338-F342 WeakPolarHBondContact O-CD2 3.16Å; F338-F342 WeakPolarHBondContact O-CG 3.28Å; F338-F342 PolarHBondContact O-N 3.03Å; F342-W345 PolarHBondContact O-N 3.24Å; F342-M346 HydrophobicContact CB-SD 4.04Å; F342-M346 WeakPolarHBondContact O-CB 3.18Å; F342-M346 WeakPolarHBondContact O-CG 3.12Å; F342-M346 PolarHBondContact O-N 3.25Å; F342-W390 HydrophobicContact CB-CB 3.96Å; F342-W390 HydrophobicContact CB-CD2 4.47Å; F342-W390 HydrophobicContact CB-CG 4.13Å; F342-W390 HydrophobicContact CD2-CB 3.89Å; F342-W390 HydrophobicContact CG-CB 4.38Å; F342-M391 HydrophobicContact CE2-CG 4.09Å; F342-M391 HydrophobicContact CE2-SD 4.33Å; F342-F428 HydrophobicContact CD1-CE2 4.1Å; F342-F428 HydrophobicContact CD2-CE2 4.22Å; F342-F428 HydrophobicContact CE1-CE2 4.1Å; F342-F428 HydrophobicContact CE1-CZ 4.46Å; F342-F428 HydrophobicContact CE2-CE2 4.2Å; F342-F428 HydrophobicContact CG-CE2 4.18Å; F342-F428 HydrophobicContact CZ-CE2 4.15Å; F342-F428 HydrophobicContact CZ-CZ 4.34Å; F342-Y431 HydrophobicContact CD1-CE1 4.29Å; F342-Y431 HydrophobicContact CD1-CE2 4.04Å; F342-Y431 AromaticContact CD1-CZ 3.86Å; F342-Y431 HydrophobicContact CE1-CE1 4.16Å; F342-Y431 AromaticContact CE1-CZ 3.94Å
343	R	98.7	Very high	98.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.7	-47.9	178.9	177.2	156.9	39.8	94.5	12.1	112.6	L323 Q325 E339 L340 S341 W345 C347 W390	L323-R343 VanDerWaalsContact C-NH1 3.28Å; L323-R343 HydrophobicContact CD2-CG 4.34Å; L323-R343 VanDerWaalsContact O-CD 3.28Å; L323-R343 WeakPolarHBondContact O-CD 3.27Å; L323-R343 PolarHBondContact O-NH1 3.3Å; Q325-R343 PolarHBondContact O-NH1 2.67Å; Q325-R343 PolarHBondContact O-NH2 2.89Å; E339-R343 VanDerWaalsContact O-CB 3.25Å; E339-R343 WeakPolarHBondContact O-CB 3.13Å; E339-R343 PolarHBondContact O-N 2.86Å; E339-R343 IonicContact OE1-CZ 3.56Å; E339-R343 IonicContact OE1-NE 2.88Å; E339-R343 PolarHBondContact OE1-NE 2.7Å; E339-R343 IonicContact OE1-NH2 3.44Å; E339-R343 PolarHBondContact OE1-NH2 2.98Å; E339-R343 IonicContact OE2-CZ 3.11Å; E339-R343 IonicContact OE2-NE 3.88Å; E339-R343 IonicContact OE2-NH2 3.94Å; E339-R343 PolarHBondContact OE2-NH2 3.46Å; L340-R343 PolarHBondContact O-N 3.48Å; S341-R343 VanDerWaalsContact C-N 3.35Å; R343-W345 PolarHBondContact O-N 2.95Å; R343-C347 WeakPolarHBondContact O-CB 3.14Å; R343-C347 PolarHBondContact O-N 3.37Å; R343-C347 PolarHBondContact O-SG 3.36Å; R343-W390 HydrophobicContact CB-CD2 4.42Å; R343-W390 HydrophobicContact CB-CE3 4.41Å; R343-W390 HydrophobicContact CB-CH2 3.59Å; R343-W390 HydrophobicContact CB-CZ2 3.58Å; R343-W390 HydrophobicContact CB-CZ3 4.01Å; R343-W390 HydrophobicContact CG-CH2 3.46Å; R343-W390 VanDerWaalsContact CG-CH2 3.46Å; R343-W390 HydrophobicContact CG-CZ2 3.71Å; R343-W390 HydrophobicContact CG-CZ3 4.18Å
344	V	98.9	Very high	98.3	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57.5	-51.9	179	169.4	0	0	0	0	110.4	V251 M315 L323 L340 S341 G348 G349 L351	V251-V344 HydrophobicContact CG2-CG1 4.02Å; V251-V344 HydrophobicContact CG2-CG2 3.84Å; M315-V344 HydrophobicContact CE-CG2 4.49Å; L323-V344 HydrophobicContact CD1-CB 4.42Å; L323-V344 HydrophobicContact CD1-CG2 3.66Å; L340-V344 HydrophobicContact CD1-CG2 3.92Å; L340-V344 HydrophobicContact CG-CG2 4.22Å; L340-V344 WeakPolarHBondContact O-CB 3.5Å; L340-V344 VanDerWaalsContact O-CG2 3.24Å; L340-V344 WeakPolarHBondContact O-CG2 3.34Å; L340-V344 PolarHBondContact O-N 3.16Å; S341-V344 PolarHBondContact O-N 3.47Å; V344-G348 PolarHBondContact O-N 3.48Å; V344-G349 CarbonylContact O-C 3.5Å; V344-G349 WeakPolarHBondContact O-CA 3.4Å; V344-G349 PolarHBondContact O-N 3.37Å; V344-L351 HydrophobicContact CB-CD2 4.23Å; V344-L351 HydrophobicContact CG1-CD2 4.01Å; V344-L351 HydrophobicContact CG1-CG 4.27Å; V344-L351 HydrophobicContact CG2-CD2 4.46Å
345	W	98.9	Very high	98.4	Very high	10 Å²	10	6.9 Å²	6.9	4%	0.038	5%	0.053	C	C	.	.	H	α-helix	trans	-64.2	-48.5	-179.4	-82.9	117.9	0	0	0	113.2	R304 T305 P306 S341 F342 R343 C347 L351 W430 Y431 V435	R304-W345 HydrophobicContact CB-CH2 4.35Å; R304-W345 HydrophobicContact CB-CZ2 4.46Å; R304-W345 HydrophobicContact CG-CH2 4.24Å; T305-W345 WeakPolarHBondContact O-CZ2 3.42Å; T305-W345 PolarHBondContact O-NE1 3.3Å; P306-W345 PolarHBondContact O-NE1 3.1Å; S341-W345 VanDerWaalsContact O-CD1 3.31Å; S341-W345 PolarHBondContact O-N 3.34Å; S341-W345 VanDerWaalsContact O-N 3.14Å; F342-W345 PolarHBondContact O-N 3.24Å; R343-W345 PolarHBondContact O-N 2.95Å; W345-C347 VanDerWaalsContact C-N 3.27Å; W345-C347 PolarHBondContact O-N 3.48Å; W345-L351 HydrophobicContact CZ2-CB 4.17Å; W345-L351 VanDerWaalsContact NE1-CD1 3.31Å; W345-W430 WeakPolarHBondContact O-CZ3 3.42Å; W345-Y431 HydrophobicContact CB-CD2 3.82Å; W345-Y431 HydrophobicContact CB-CE2 3.98Å; W345-Y431 AromaticContact CD1-CE2 3.8Å; W345-Y431 HydrophobicContact CG-CD2 4.29Å; W345-Y431 HydrophobicContact CG-CE2 4.04Å; W345-V435 HydrophobicContact CB-CG2 4.22Å; W345-V435 HydrophobicContact CD2-CB 4.37Å; W345-V435 HydrophobicContact CD2-CG1 3.62Å; W345-V435 HydrophobicContact CD2-CG2 3.78Å; W345-V435 HydrophobicContact CE3-CG1 4.22Å; W345-V435 HydrophobicContact CE3-CG2 3.66Å; W345-V435 HydrophobicContact CG-CG1 3.78Å; W345-V435 HydrophobicContact CG-CG2 4.05Å; W345-V435 HydrophobicContact CZ2-CG1 4.08Å; W345-V435 HydrophobicContact CZ3-CG2 4.26Å
346	M	98.8	Very high	98.5	Very high	2 Å²	2	7 Å²	7	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-72.5	-23.6	-174.1	-65.4	168.4	66.4	0	0	112.2	F342 W390 C425 K426 F428 Y431	F342-M346 HydrophobicContact CB-SD 4.04Å; F342-M346 WeakPolarHBondContact O-CB 3.18Å; F342-M346 WeakPolarHBondContact O-CG 3.12Å; F342-M346 PolarHBondContact O-N 3.25Å; M346-W390 HydrophobicContact CE-CE3 4.13Å; M346-W390 WeakPolarHBondContact CE-O 3.49Å; M346-W390 HydrophobicContact SD-CB 4.45Å; M346-W390 HydrophobicContact SD-CE3 3.97Å; M346-C425 HydrophobicContact CB-CB 4.24Å; M346-C425 CarbonylContact O-C 3.5Å; M346-C425 VanDerWaalsContact O-CA 3.26Å; M346-C425 WeakPolarHBondContact O-CA 3.4Å; M346-C425 WeakPolarHBondContact O-CB 3.11Å; M346-K426 WeakPolarHBondContact CE-O 3.41Å; M346-K426 PolarHBondContact O-N 3.28Å; M346-F428 HydrophobicContact CE-CB 4.27Å; M346-F428 HydrophobicContact CE-CD2 4.43Å; M346-F428 HydrophobicContact SD-CD2 3.94Å; M346-Y431 HydrophobicContact CG-CD2 4.36Å
347	C	98.8	Very high	98.5	Very high	16 Å²	16	6.8 Å²	6.8	11%	0.108	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	21.1	-177.3	-47.4	0	0	0	0	113.2	L323 R343 W345 L423 C425	L323-C347 HydrophobicContact CD2-CB 3.87Å; R343-C347 WeakPolarHBondContact O-CB 3.14Å; R343-C347 PolarHBondContact O-N 3.37Å; R343-C347 PolarHBondContact O-SG 3.36Å; W345-C347 VanDerWaalsContact C-N 3.27Å; W345-C347 PolarHBondContact O-N 3.48Å; C347-L423 HydrophobicContact CB-CB 4.35Å; C347-L423 HydrophobicContact CB-CD1 4.34Å; C347-C425 HydrophobicContact CB-CB 4.07Å; C347-C425 WeakPolarHBondContact CB-SG 3.28Å; C347-C425 WeakPolarHBondContact SG-CB 3.41Å; C347-C425 CovalentContact SG-SG 2.04Å; C347-C425 PolarHBondContact SG-SG 2.87Å
348	G	98.2	Very high	98.6	Very high	60 Å²	60	6.9 Å²	6.9	62%	0.619	5%	0.053	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.8	3.6	164.4	0	0	0	0	0	116.7	V344	V344-G348 PolarHBondContact O-N 3.48Å
349	G	98.6	Very high	98.6	Very high	8 Å²	8	6.9 Å²	6.9	8%	0.082	5%	0.053	C	C	.	.			trans	-96.1	-167.2	172	0	0	0	0	0	113.1	T249 V344	T249-G349 WeakPolarHBondContact O-CA 3.35Å; V344-G349 CarbonylContact O-C 3.5Å; V344-G349 WeakPolarHBondContact O-CA 3.4Å; V344-G349 PolarHBondContact O-N 3.37Å
350	S	98.8	Very high	98.6	Very high	5 Å²	5	6.9 Å²	6.9	4%	0.035	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	158.2	173.3	58	0	0	0	0	113.1	T249 V251 R304	T249-S350 PolarHBondContact O-N 3.04Å; V251-S350 PolarHBondContact N-O 3.28Å; R304-S350 VanDerWaalsContact NH2-CB 3.31Å
351	L	98.9	Very high	98.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.7	177.2	-58.9	170.3	0	0	0	110.5	V251 R304 T305 I308 S341 V344 W345	V251-L351 HydrophobicContact CB-CD2 3.6Å; V251-L351 HydrophobicContact CG1-CD2 3.84Å; V251-L351 HydrophobicContact CG2-CD2 4.36Å; V251-L351 VanDerWaalsContact O-CA 3.29Å; V251-L351 WeakPolarHBondContact O-CA 3.47Å; R304-L351 WeakPolarHBondContact CA-O 3.27Å; T305-L351 HydrophobicContact CG2-CB 3.68Å; T305-L351 PolarHBondContact N-O 3.38Å; T305-L351 VanDerWaalsContact N-O 3.07Å; T305-L351 WeakPolarHBondContact O-CB 3.45Å; I308-L351 HydrophobicContact CG2-CB 4.28Å; I308-L351 HydrophobicContact CG2-CD1 4.29Å; I308-L351 HydrophobicContact CG2-CD2 4.08Å; I308-L351 HydrophobicContact CG2-CG 4.45Å; S341-L351 VanDerWaalsContact CB-CD1 3.45Å; S341-L351 WeakPolarHBondContact OG-CD1 3.47Å; V344-L351 HydrophobicContact CB-CD2 4.23Å; V344-L351 HydrophobicContact CG1-CD2 4.01Å; V344-L351 HydrophobicContact CG1-CG 4.27Å; V344-L351 HydrophobicContact CG2-CD2 4.46Å; W345-L351 HydrophobicContact CZ2-CB 4.17Å; W345-L351 VanDerWaalsContact NE1-CD1 3.31Å
352	E	98.6	Very high	98.5	Very high	11 Å²	11	8 Å²	8	5%	0.051	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144	179.8	-52.6	-178	157.7	0	0	111.9	R243 R250 V251 V252 S253 P302 I303 L354	R243-E352 IonicContact CZ-OE1 2.64Å; R243-E352 IonicContact CZ-OE2 3.93Å; R243-E352 IonicContact NE-OE2 3.49Å; R243-E352 PolarHBondContact NE-OE2 3.01Å; R243-E352 IonicContact NH2-OE1 3.76Å; R243-E352 PolarHBondContact NH2-OE1 3.39Å; R243-E352 IonicContact NH2-OE2 3.3Å; R243-E352 PolarHBondContact NH2-OE2 2.69Å; R243-E352 VanDerWaalsContact NH2-OE2 3.12Å; R250-E352 IonicContact NE-OE1 2.69Å; V251-E352 PolarHBondContact O-N 2.92Å; V252-E352 CarbonylContact C-O 3.58Å; V252-E352 WeakPolarHBondContact CA-O 3.48Å; V252-E352 HydrophobicContact CG1-CB 4.1Å; S253-E352 PolarHBondContact N-O 2.81Å; P302-E352 HydrophobicContact CB-CB 4.29Å; I303-E352 CarbonylContact O-C 3.47Å; I303-E352 VanDerWaalsContact O-CA 3.32Å; I303-E352 WeakPolarHBondContact O-CA 3.42Å; E352-L354 HydrophobicContact CB-CD2 4.11Å
353	I	98.6	Very high	98.2	Very high	6 Å²	6	11.5 Å²	11.5	3%	0.031	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.1	165.5	-65.9	166.2	0	0	0	107.6	S253 I255 R274 W285 I303 T305 P355	S253-I353 CarbonylContact O-C 3.49Å; S253-I353 VanDerWaalsContact O-CA 3.3Å; S253-I353 WeakPolarHBondContact O-CA 3.37Å; I255-I353 HydrophobicContact CG1-CG2 3.87Å; R274-I353 HydrophobicContact CB-CD1 4.31Å; W285-I353 HydrophobicContact CZ3-CD1 4.2Å; I303-I353 HydrophobicContact CB-CB 4.39Å; I303-I353 PolarHBondContact N-O 3.5Å; I303-I353 PolarHBondContact O-N 3.09Å; T305-I353 HydrophobicContact CG2-CD1 4.13Å; T305-I353 HydrophobicContact CG2-CG1 3.97Å; I353-P355 WeakPolarHBondContact O-CD 3.31Å
354	L	98.1	Very high	97.8	Very high	6 Å²	6	14 Å²	14	3%	0.031	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	110.8	-175.1	-54.5	-169.9	0	0	0	111.1	P239 M240 R243 V252 S253 P302 E352 C356 S357	P239-L354 HydrophobicContact CB-CD1 4.3Å; P239-L354 VanDerWaalsContact O-CD1 3.28Å; P239-L354 WeakPolarHBondContact O-CD1 3.44Å; M240-L354 HydrophobicContact CB-CD1 4.26Å; M240-L354 HydrophobicContact CG-CD1 3.78Å; R243-L354 HydrophobicContact CB-CD1 4.29Å; R243-L354 HydrophobicContact CG-CD1 3.66Å; R243-L354 HydrophobicContact CG-CD2 3.93Å; R243-L354 HydrophobicContact CG-CG 4.48Å; V252-L354 HydrophobicContact CB-CD1 4.08Å; V252-L354 HydrophobicContact CB-CG 4.21Å; V252-L354 HydrophobicContact CG1-CD1 4.49Å; V252-L354 HydrophobicContact CG2-CD1 4.22Å; S253-L354 PolarHBondContact O-N 2.78Å; P302-L354 HydrophobicContact CB-CD2 3.63Å; P302-L354 HydrophobicContact CG-CD2 3.81Å; E352-L354 HydrophobicContact CB-CD2 4.11Å; L354-C356 PolarHBondContact O-N 3.17Å; L354-C356 VanDerWaalsContact O-N 3.15Å; L354-S357 PolarHBondContact O-N 2.81Å; L354-S357 VanDerWaalsContact O-O 3.05Å
355	P	97.4	Very high	97.1	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.019	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-27.2	-174.1	-27.4	36.3	0	0	0	116	I255 P299 Q301 I303 I353 R358	I255-P355 HydrophobicContact CD1-CB 3.99Å; P299-P355 WeakPolarHBondContact O-CB 2.99Å; P299-P355 WeakPolarHBondContact O-CG 3.19Å; Q301-P355 WeakPolarHBondContact O-CD 3.27Å; Q301-P355 WeakPolarHBondContact O-CG 3.47Å; I303-P355 HydrophobicContact CD1-CG 3.87Å; I303-P355 HydrophobicContact CG1-CG 4.37Å; I353-P355 WeakPolarHBondContact O-CD 3.31Å; P355-R358 PolarHBondContact O-NE 2.82Å
356	C	97.7	Very high	96.6	Very high	4 Å²	4	28 Å²	28	3%	0.027	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-7.6	178.8	-64.2	0	0	0	0	113.9	R125 C129 L132 T300 L354	R125-C356 WeakPolarHBondContact CD-O 3.47Å; C129-C356 WeakPolarHBondContact CA-SG 3.29Å; C129-C356 HydrophobicContact CB-CB 3.62Å; C129-C356 WeakPolarHBondContact CB-SG 3.42Å; C129-C356 WeakPolarHBondContact SG-CA 3.22Å; C129-C356 WeakPolarHBondContact SG-CB 3.44Å; C129-C356 CovalentContact SG-SG 2.04Å; C129-C356 PolarHBondContact SG-SG 3.15Å; L132-C356 HydrophobicContact CD1-CB 4.11Å; L132-C356 VanDerWaalsContact CD1-SG 3.51Å; T300-C356 VanDerWaalsContact CB-SG 3.56Å; L354-C356 PolarHBondContact O-N 3.17Å; L354-C356 VanDerWaalsContact O-N 3.15Å
357	S	98.5	Very high	95.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122	167.5	-172.3	0	0	0	0	109.3	W236 P254 I255 L354	W236-S357 VanDerWaalsContact O-CB 3.29Å; W236-S357 WeakPolarHBondContact O-CB 3.47Å; W236-S357 PolarHBondContact O-OG 3.02Å; P254-S357 WeakPolarHBondContact CA-O 3.17Å; P254-S357 VanDerWaalsContact CB-O 3.3Å; P254-S357 WeakPolarHBondContact CB-O 3.14Å; P254-S357 WeakPolarHBondContact CB-OG 3.25Å; I255-S357 PolarHBondContact N-O 2.87Å; L354-S357 PolarHBondContact O-N 2.81Å; L354-S357 VanDerWaalsContact O-O 3.05Å
358	R	98.6	Very high	95.3	Very high	13 Å²	13	31.7 Å²	31.7	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.9	-176.2	-69.5	-77.5	-179.7	148.9	6.8	109.7	T124 R125 N233 D257 A269 P355	T124-R358 VanDerWaalsContact O-CZ 3.25Å; T124-R358 PolarHBondContact O-NE 3.09Å; T124-R358 PolarHBondContact O-NH2 2.51Å; R125-R358 HydrophobicContact CG-CB 4.4Å; R125-R358 HydrophobicContact CG-CG 3.72Å; N233-R358 HydrophobicContact CB-CB 3.67Å; N233-R358 VanDerWaalsContact CB-O 3.26Å; N233-R358 WeakPolarHBondContact CB-O 3.45Å; N233-R358 PolarHBondContact N-O 2.8Å; D257-R358 IonicContact OD1-CZ 3.94Å; D257-R358 IonicContact OD1-NH1 2.71Å; D257-R358 PolarHBondContact OD1-NH1 3.01Å; D257-R358 WeakPolarHBondContact OD2-CD 3.46Å; D257-R358 IonicContact OD2-NH1 3.34Å; A269-R358 PolarHBondContact O-NH1 3.37Å; P355-R358 PolarHBondContact O-NE 2.82Å
359	V	98.8	Very high	94.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.5	175.1	-179.3	0	0	0	0	108.5	L226 C230 V232 W236 P254 I255 I256 D257 I312	L226-V359 HydrophobicContact CD2-CG1 4.19Å; C230-V359 HydrophobicContact CB-CG1 3.87Å; V232-V359 HydrophobicContact CB-CG2 4.32Å; V232-V359 HydrophobicContact CG1-CG1 4.08Å; V232-V359 HydrophobicContact CG1-CG2 4.05Å; W236-V359 HydrophobicContact CD2-CG2 4.25Å; W236-V359 HydrophobicContact CE3-CG2 3.48Å; W236-V359 VanDerWaalsContact CE3-CG2 3.48Å; W236-V359 HydrophobicContact CZ3-CG2 4.08Å; P254-V359 HydrophobicContact CB-CB 4.29Å; P254-V359 HydrophobicContact CB-CG2 3.87Å; P254-V359 HydrophobicContact CG-CB 3.9Å; P254-V359 HydrophobicContact CG-CG2 3.67Å; I255-V359 PolarHBondContact O-N 2.95Å; I255-V359 VanDerWaalsContact O-N 3.1Å; I256-V359 CarbonylContact C-O 3.51Å; I256-V359 VanDerWaalsContact CA-O 3.28Å; I256-V359 WeakPolarHBondContact CA-O 3.36Å; D257-V359 PolarHBondContact N-O 2.81Å; I312-V359 HydrophobicContact CD1-CB 4.16Å; I312-V359 HydrophobicContact CD1-CG1 3.73Å; I312-V359 HydrophobicContact CG2-CG2 4.44Å
360	G	98.6	Very high	93.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	142.2	174.1	0	0	0	0	0	110.3	C230 E231 D257 Y266	C230-G360 CarbonylContact C-O 3.59Å; C230-G360 WeakPolarHBondContact CA-O 3.21Å; C230-G360 WeakPolarHBondContact CB-O 3.4Å; E231-G360 PolarHBondContact N-O 2.86Å; E231-G360 PolarHBondContact O-N 2.83Å; D257-G360 CarbonylContact O-C 3.24Å; D257-G360 WeakPolarHBondContact O-CA 3.48Å; Y266-G360 VanDerWaalsContact CE2-CA 3.46Å; Y266-G360 PolarHBondContact OH-N 2.94Å
361	H	98.6	Very high	93.4	Very high	22 Å²	22	38.6 Å²	38.6	10%	0.102	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	138	178.8	173.7	-88.5	0	0	0	110.5	D227 H229 I256 D257 I259 I312 F363	D227-H361 IonicContact OD2-CD2 2.89Å; D227-H361 IonicContact OD2-NE2 2.87Å; H229-H361 AromaticContact CD2-CD2 3.86Å; H229-H361 AromaticContact CD2-CE1 3.97Å; H229-H361 AromaticContact CD2-NE2 3.41Å; H229-H361 PolarHBondContact CD2-NE2 3.38Å; H229-H361 AromaticContact NE2-CE1 3.88Å; H229-H361 AromaticContact NE2-NE2 3.27Å; H229-H361 PolarHBondContact NE2-NE2 2.75Å; I256-H361 HydrophobicContact CG2-CB 3.51Å; D257-H361 PolarHBondContact O-N 2.94Å; I259-H361 PolarHBondContact N-O 3.4Å; I312-H361 HydrophobicContact CD1-CB 4.42Å; H361-F363 HydrophobicContact CB-CE2 4.06Å; H361-F363 HydrophobicContact CB-CZ 4.35Å; H361-F363 AromaticContact ND1-CD1 3.69Å; H361-F363 AromaticContact ND1-CD2 3.76Å; H361-F363 AromaticContact ND1-CE1 3.73Å; H361-F363 AromaticContact ND1-CE2 3.82Å; H361-F363 AromaticContact ND1-CG 3.72Å; H361-F363 AromaticContact ND1-CZ 3.81Å; H361-F363 VanDerWaalsContact O-CD2 3.27Å; H361-F363 WeakPolarHBondContact O-CD2 3.19Å; H361-F363 PolarHBondContact O-N 2.77Å
362	V	98.2	Very high	92.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	100.5	174.8	-175.7	0	0	0	0	109.9	F107 H229 I259 L261 F264 R364	F107-V362 HydrophobicContact CB-CG1 3.93Å; F107-V362 HydrophobicContact CD1-CG1 3.95Å; F107-V362 HydrophobicContact CG-CG1 4.12Å; H229-V362 HydrophobicContact CB-CB 4.23Å; H229-V362 HydrophobicContact CB-CG2 4.14Å; H229-V362 PolarHBondContact O-N 3.32Å; I259-V362 HydrophobicContact CB-CG2 3.85Å; I259-V362 HydrophobicContact CD1-CG2 4.28Å; I259-V362 HydrophobicContact CG2-CG2 3.78Å; L261-V362 HydrophobicContact CB-CG1 4.4Å; F264-V362 HydrophobicContact CE1-CG2 3.83Å; F264-V362 HydrophobicContact CZ-CG2 4.29Å; V362-R364 HydrophobicContact CG1-CG 4.46Å; V362-R364 PolarHBondContact O-N 2.75Å
363	F	91.8	Very high	91.9	Very high	74 Å²	74	48.7 Å²	48.7	33%	0.325	23%	0.231	S	C	.	.			trans	-79.4	117.6	177.3	-70.7	-85.3	0	0	0	111.2	I256 V258 L261 H361	I256-F363 HydrophobicContact CB-CZ 4.47Å; I256-F363 HydrophobicContact CG2-CE2 3.96Å; I256-F363 HydrophobicContact CG2-CZ 3.64Å; V258-F363 HydrophobicContact CB-CD2 4.27Å; V258-F363 HydrophobicContact CB-CE2 4.47Å; V258-F363 HydrophobicContact CG1-CD2 4.14Å; V258-F363 HydrophobicContact CG2-CD2 3.92Å; V258-F363 HydrophobicContact CG2-CE2 3.89Å; L261-F363 WeakPolarHBondContact CD2-O 3.17Å; H361-F363 HydrophobicContact CB-CE2 4.06Å; H361-F363 HydrophobicContact CB-CZ 4.35Å; H361-F363 AromaticContact ND1-CD1 3.69Å; H361-F363 AromaticContact ND1-CD2 3.76Å; H361-F363 AromaticContact ND1-CE1 3.73Å; H361-F363 AromaticContact ND1-CE2 3.82Å; H361-F363 AromaticContact ND1-CG 3.72Å; H361-F363 AromaticContact ND1-CZ 3.81Å; H361-F363 VanDerWaalsContact O-CD2 3.27Å; H361-F363 WeakPolarHBondContact O-CD2 3.19Å; H361-F363 PolarHBondContact O-N 2.77Å
364	R	90.8	Very high	91.4	Very high	53 Å²	53	50 Å²	50	20%	0.2	25%	0.246	C	C	.	.			trans	-99.7	152.1	-177.6	-52.8	175.6	-158.7	-153.8	6.9	110.8	H105 A106 F107 E150 H229 V362	H105-R364 WeakPolarHBondContact O-CD 3.28Å; H105-R364 PolarHBondContact O-NH1 3.45Å; A106-R364 HydrophobicContact CB-CB 4.42Å; F107-R364 HydrophobicContact CD1-CG 4.41Å; E150-R364 VanDerWaalsContact CD-NH2 3.31Å; E150-R364 IonicContact OE1-CZ 2.98Å; E150-R364 IonicContact OE1-NH1 3.2Å; E150-R364 IonicContact OE1-NH2 3.91Å; E150-R364 PolarHBondContact OE1-NH2 3.44Å; E150-R364 IonicContact OE2-NH2 3.62Å; E150-R364 PolarHBondContact OE2-NH2 2.87Å; H229-R364 PolarHBondContact CE1-NH2 3.41Å; H229-R364 PolarHBondContact ND1-NH2 3.04Å; H229-R364 PolarHBondContact NE2-NH2 3.19Å; V362-R364 HydrophobicContact CG1-CG 4.46Å; V362-R364 PolarHBondContact O-N 2.75Å
365	K	84.9	Confident	91	Very high	182 Å²	182	52.7 Å²	52.7	79%	0.791	26%	0.26	S	S	*	.	S	Bend	trans	-84	-20.1	175.4	-66.4	178.4	-177.6	167.6	0	113.6	L261	L261-K365 HydrophobicContact CD2-CG 4.27Å
366	R	88	Confident	90.6	Very high	121 Å²	121	55.8 Å²	55.8	46%	0.457	29%	0.286	S	S	.	.	S	Bend	trans	-142.9	158	-179.6	67.2	178.7	-177.9	95	-1	110.4	Y102 R103 A106	Y102-R366 PolarHBondContact O-NH2 3.02Å; R103-R366 PolarHBondContact O-NH2 2.96Å; A106-R366 HydrophobicContact CB-CG 3.5Å
367	H	83.8	Confident	90.3	Very high	58 Å²	58	59.2 Å²	59.2	27%	0.269	30%	0.304	S	S	.	.			trans	-80	129.8	169.4	-57.4	-75.7	0	0	0	109.5	W333 Y369 F371 N375	W333-H367 AromaticContact CD2-CE1 3.8Å; W333-H367 AromaticContact CE2-CE1 3.84Å; W333-H367 AromaticContact CE3-CE1 3.72Å; W333-H367 AromaticContact CE3-NE2 3.92Å; W333-H367 AromaticContact CH2-CE1 3.76Å; W333-H367 AromaticContact CH2-NE2 3.95Å; W333-H367 AromaticContact CZ2-CE1 3.84Å; W333-H367 AromaticContact CZ3-CE1 3.7Å; W333-H367 AromaticContact CZ3-NE2 3.65Å; H367-Y369 VanDerWaalsContact C-N 3.28Å; H367-Y369 HydrophobicContact CB-CD2 4.3Å; H367-Y369 HydrophobicContact CB-CE1 4.34Å; H367-Y369 HydrophobicContact CB-CE2 3.95Å; H367-Y369 AromaticContact ND1-CZ 3.62Å; H367-Y369 PolarHBondContact ND1-OH 3.16Å; H367-F371 HydrophobicContact CB-CE2 3.78Å; H367-F371 HydrophobicContact CB-CZ 4.28Å; H367-F371 AromaticContact CG-CE2 3.96Å; H367-F371 AromaticContact CG-CZ 3.99Å; H367-N375 PolarHBondContact CD2-ND2 3.27Å
368	P	85.3	Confident	90.1	Very high	38 Å²	38	59.4 Å²	59.4	25%	0.247	31%	0.305	C	S	.	.	S	Bend	trans	-83.1	-0.6	178.6	30.5	-33.3	0	0	0	114.4	E104 A106	E104-P368 WeakPolarHBondContact O-CB 3.43Å; A106-P368 HydrophobicContact CB-CB 4.28Å
369	Y	85.3	Confident	89.9	Confident	60 Å²	60	59.9 Å²	59.9	24%	0.235	31%	0.307	C	S	.	.	S	Bend	trans	-119.1	158	-173.8	47.9	-103.7	0	0	0	112	R204 I332 H367 F371	R204-Y369 VanDerWaalsContact NH2-CD2 3.31Å; I332-Y369 HydrophobicContact CG2-CD2 4.43Å; I332-Y369 HydrophobicContact CG2-CE2 4.2Å; H367-Y369 VanDerWaalsContact C-N 3.28Å; H367-Y369 HydrophobicContact CB-CD2 4.3Å; H367-Y369 HydrophobicContact CB-CE1 4.34Å; H367-Y369 HydrophobicContact CB-CE2 3.95Å; H367-Y369 AromaticContact ND1-CZ 3.62Å; H367-Y369 PolarHBondContact ND1-OH 3.16Å; Y369-F371 HydrophobicContact CD2-CD2 4.49Å; Y369-F371 AromaticContact CD2-CE2 3.88Å; Y369-F371 HydrophobicContact CD2-CE2 3.88Å; Y369-F371 HydrophobicContact CD2-CZ 4.15Å; Y369-F371 HydrophobicContact CE2-CE1 4.36Å; Y369-F371 AromaticContact CE2-CE2 3.7Å; Y369-F371 HydrophobicContact CE2-CE2 3.7Å; Y369-F371 AromaticContact CE2-CZ 3.54Å; Y369-F371 HydrophobicContact CE2-CZ 3.54Å
370	D	83.6	Confident	89.8	Confident	131 Å²	131	60.4 Å²	60.4	70%	0.701	31%	0.309	S	S	*	.			trans	-73.6	159	-175	-63.4	-39.2	0	0	0	112.8	R204	R204-D370 PolarHBondContact NH1-O 3.17Å; R204-D370 PolarHBondContact NH2-O 3.12Å
371	F	88.6	Confident	89.7	Confident	27 Å²	27	62.4 Å²	62.4	12%	0.118	32%	0.318	C	S	.	.			trans	-126.2	112.6	168.8	-71.1	-100.5	0	0	0	107.1	I332 W333 H367 Y369 E373 G374 N375 T378	I332-F371 HydrophobicContact CB-CD1 4.22Å; I332-F371 HydrophobicContact CB-CE1 4.29Å; I332-F371 HydrophobicContact CG2-CD1 3.95Å; I332-F371 HydrophobicContact CG2-CE1 3.79Å; I332-F371 HydrophobicContact CG2-CZ 4.42Å; W333-F371 HydrophobicContact CB-CE1 4.28Å; H367-F371 HydrophobicContact CB-CE2 3.78Å; H367-F371 HydrophobicContact CB-CZ 4.28Å; H367-F371 AromaticContact CG-CE2 3.96Å; H367-F371 AromaticContact CG-CZ 3.99Å; Y369-F371 HydrophobicContact CD2-CD2 4.49Å; Y369-F371 AromaticContact CD2-CE2 3.88Å; Y369-F371 HydrophobicContact CD2-CE2 3.88Å; Y369-F371 HydrophobicContact CD2-CZ 4.15Å; Y369-F371 HydrophobicContact CE2-CE1 4.36Å; Y369-F371 AromaticContact CE2-CE2 3.7Å; Y369-F371 HydrophobicContact CE2-CE2 3.7Å; Y369-F371 AromaticContact CE2-CZ 3.54Å; Y369-F371 HydrophobicContact CE2-CZ 3.54Å; F371-E373 PolarHBondContact O-N 2.6Å; F371-E373 VanDerWaalsContact O-N 3.14Å; F371-G374 VanDerWaalsContact CB-C 3.48Å; F371-G374 PolarHBondContact O-N 3.44Å; F371-N375 HydrophobicContact CB-CB 4.47Å; F371-N375 HydrophobicContact CD1-CB 4.24Å; F371-N375 HydrophobicContact CD2-CB 3.76Å; F371-N375 HydrophobicContact CE1-CB 4.38Å; F371-N375 HydrophobicContact CE2-CB 3.93Å; F371-N375 HydrophobicContact CG-CB 3.91Å; F371-N375 HydrophobicContact CZ-CB 4.21Å; F371-T378 HydrophobicContact CD1-CG2 4.04Å; F371-T378 HydrophobicContact CE1-CG2 4.4Å
372	P	83.6	Confident	89.7	Confident	108 Å²	108	61.3 Å²	61.3	70%	0.701	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.4	-173.2	-28.5	35.3	0	0	0	114
373	E	80.8	Confident	89.7	Confident	115 Å²	115	61.3 Å²	61.3	54%	0.537	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	8.2	177.1	-60.8	-174.6	176.6	0	0	112.8	F371 L377	F371-E373 PolarHBondContact O-N 2.6Å; F371-E373 VanDerWaalsContact O-N 3.14Å; E373-L377 WeakPolarHBondContact O-CB 3.41Å; E373-L377 WeakPolarHBondContact O-CD1 2.9Å
374	G	88.3	Confident	90	Very high	33 Å²	33	58.6 Å²	58.6	34%	0.34	30%	0.3	S	S	.	.			trans	82.5	141.2	-173.5	0	0	0	0	0	113.7	F371 A376 L377 T378	F371-G374 VanDerWaalsContact CB-C 3.48Å; F371-G374 PolarHBondContact O-N 3.44Å; G374-A376 VanDerWaalsContact C-N 3.34Å; G374-A376 PolarHBondContact O-N 3.3Å; G374-L377 PolarHBondContact O-N 3.31Å; G374-T378 PolarHBondContact O-N 2.77Å; G374-T378 PolarHBondContact O-OG1 2.76Å
375	N	89	Confident	90.4	Very high	64 Å²	64	56.1 Å²	56.1	34%	0.342	29%	0.291	S	S	.	.	H	α-helix	trans	-52.5	-48.2	-173.2	-178.2	11	0	0	0	112.8	H367 F371 L377 T378 Y379	H367-N375 PolarHBondContact CD2-ND2 3.27Å; F371-N375 HydrophobicContact CB-CB 4.47Å; F371-N375 HydrophobicContact CD1-CB 4.24Å; F371-N375 HydrophobicContact CD2-CB 3.76Å; F371-N375 HydrophobicContact CE1-CB 4.38Å; F371-N375 HydrophobicContact CE2-CB 3.93Å; F371-N375 HydrophobicContact CG-CB 3.91Å; F371-N375 HydrophobicContact CZ-CB 4.21Å; N375-L377 PolarHBondContact O-N 2.89Å; N375-T378 PolarHBondContact O-N 2.79Å; N375-Y379 WeakPolarHBondContact O-CB 2.99Å; N375-Y379 PolarHBondContact O-N 3.29Å
376	A	89.3	Confident	91	Very high	67 Å²	67	47.5 Å²	47.5	55%	0.554	25%	0.253	S	S	*	.	H	α-helix	trans	-62.6	-41.3	-177.4	0	0	0	0	0	113	G374 I380	G374-A376 VanDerWaalsContact C-N 3.34Å; G374-A376 PolarHBondContact O-N 3.3Å; A376-I380 WeakPolarHBondContact O-CB 3.17Å; A376-I380 WeakPolarHBondContact O-CG1 3.07Å; A376-I380 PolarHBondContact O-N 2.76Å
377	L	92.3	Very high	91.5	Very high	77 Å²	77	41.7 Å²	41.7	40%	0.403	23%	0.232	S	C	.	.	H	α-helix	trans	-72.7	-40.7	180	-70.1	177.9	0	0	0	111.4	E373 G374 N375 Y379 I380 K381 K408	E373-L377 WeakPolarHBondContact O-CB 3.41Å; E373-L377 WeakPolarHBondContact O-CD1 2.9Å; G374-L377 PolarHBondContact O-N 3.31Å; N375-L377 PolarHBondContact O-N 2.89Å; L377-Y379 VanDerWaalsContact C-N 3.34Å; L377-Y379 PolarHBondContact O-N 3.45Å; L377-I380 PolarHBondContact O-N 2.77Å; L377-K381 WeakPolarHBondContact O-CB 3.23Å; L377-K381 PolarHBondContact O-N 3.26Å; L377-K408 HydrophobicContact CD2-CD 4.38Å
378	T	94.2	Very high	92.2	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-47.6	172.7	-59.4	0	0	0	0	111.3	D331 I332 F371 G374 N375 I380 K381 N382	D331-T378 HydrophobicContact CB-CG2 4.02Å; D331-T378 WeakPolarHBondContact O-CG2 3.32Å; I332-T378 HydrophobicContact CB-CG2 4.21Å; F371-T378 HydrophobicContact CD1-CG2 4.04Å; F371-T378 HydrophobicContact CE1-CG2 4.4Å; G374-T378 PolarHBondContact O-N 2.77Å; G374-T378 PolarHBondContact O-OG1 2.76Å; N375-T378 PolarHBondContact O-N 2.79Å; T378-I380 PolarHBondContact O-N 3.45Å; T378-K381 WeakPolarHBondContact O-CB 3.16Å; T378-K381 PolarHBondContact O-N 3.45Å; T378-N382 PolarHBondContact O-N 3.39Å
379	Y	94.7	Very high	92.8	Very high	24 Å²	24	39 Å²	39	9%	0.094	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-42.4	177.9	-168.8	-98.1	0	0	0	112.4	L281 W333 N375 L377 N382 T383	L281-Y379 PolarHBondContact O-OH 2.78Å; W333-Y379 HydrophobicContact CE3-CD2 4.35Å; W333-Y379 HydrophobicContact CH2-CE2 4.36Å; W333-Y379 AromaticContact CZ3-CD2 3.83Å; W333-Y379 HydrophobicContact CZ3-CD2 3.83Å; W333-Y379 AromaticContact CZ3-CE2 3.97Å; W333-Y379 HydrophobicContact CZ3-CE2 3.97Å; N375-Y379 WeakPolarHBondContact O-CB 2.99Å; N375-Y379 PolarHBondContact O-N 3.29Å; L377-Y379 VanDerWaalsContact C-N 3.34Å; L377-Y379 PolarHBondContact O-N 3.45Å; Y379-N382 PolarHBondContact O-N 3.06Å; Y379-T383 HydrophobicContact CD1-CG2 3.94Å; Y379-T383 HydrophobicContact CE1-CG2 3.6Å; Y379-T383 HydrophobicContact CE2-CG2 4.26Å; Y379-T383 HydrophobicContact CG-CG2 4.43Å; Y379-T383 WeakPolarHBondContact O-CB 3.44Å; Y379-T383 WeakPolarHBondContact O-CG2 3.49Å; Y379-T383 PolarHBondContact O-N 3.43Å; Y379-T383 PolarHBondContact O-OG1 3.03Å
380	I	96.1	Very high	93.5	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.051	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-48.2	174.5	-76.2	167.8	0	0	0	110.4	A376 L377 T378 N382 T383 R384 A405 K408	A376-I380 WeakPolarHBondContact O-CB 3.17Å; A376-I380 WeakPolarHBondContact O-CG1 3.07Å; A376-I380 PolarHBondContact O-N 2.76Å; L377-I380 PolarHBondContact O-N 2.77Å; T378-I380 PolarHBondContact O-N 3.45Å; I380-N382 PolarHBondContact O-N 2.95Å; I380-T383 PolarHBondContact O-N 2.81Å; I380-T383 PolarHBondContact O-OG1 2.99Å; I380-R384 HydrophobicContact CG2-CG 4.2Å; I380-R384 VanDerWaalsContact O-CB 3.27Å; I380-R384 WeakPolarHBondContact O-CB 3.41Å; I380-R384 WeakPolarHBondContact O-CG 3.23Å; I380-R384 PolarHBondContact O-N 2.87Å; I380-A405 HydrophobicContact CG2-CB 3.87Å; I380-K408 HydrophobicContact CG2-CB 4.23Å; I380-K408 HydrophobicContact CG2-CG 4.26Å
381	K	97.3	Very high	94.2	Very high	42 Å²	42	30 Å²	30	18%	0.183	17%	0.172	C	C	.	.	H	α-helix	trans	-53.3	-53.5	177.8	172.4	173.4	-179	179.4	0	110.6	D331 L377 T378 R384 R385	D331-K381 WeakPolarHBondContact OD2-CD 3.24Å; D331-K381 VanDerWaalsContact OD2-CE 3.24Å; D331-K381 WeakPolarHBondContact OD2-CE 3.36Å; D331-K381 IonicContact OD2-NZ 4Å; D331-K381 PolarHBondContact OD2-NZ 3.35Å; L377-K381 WeakPolarHBondContact O-CB 3.23Å; L377-K381 PolarHBondContact O-N 3.26Å; T378-K381 WeakPolarHBondContact O-CB 3.16Å; T378-K381 PolarHBondContact O-N 3.45Å; K381-R384 PolarHBondContact O-N 2.89Å; K381-R385 WeakPolarHBondContact O-CG 2.98Å; K381-R385 PolarHBondContact O-N 2.98Å; K381-R385 VanDerWaalsContact O-N 3.11Å
382	N	98.2	Very high	94.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67	-46.3	-176.4	-62.3	-9.7	0	0	0	112.6	M330 D331 W333 G334 T378 Y379 I380 R384 R385 A386	M330-N382 VanDerWaalsContact CA-OD1 3.25Å; M330-N382 WeakPolarHBondContact CA-OD1 3.26Å; M330-N382 HydrophobicContact CB-CB 4.32Å; M330-N382 WeakPolarHBondContact CB-OD1 2.93Å; M330-N382 WeakPolarHBondContact CE-O 3.41Å; M330-N382 HydrophobicContact CG-CB 4.09Å; M330-N382 HydrophobicContact SD-CB 4.15Å; D331-N382 PolarHBondContact N-OD1 3.32Å; D331-N382 PolarHBondContact O-ND2 3.45Å; W333-N382 PolarHBondContact O-ND2 3.12Å; G334-N382 WeakPolarHBondContact O-CB 3.16Å; G334-N382 PolarHBondContact O-ND2 2.89Å; T378-N382 PolarHBondContact O-N 3.39Å; Y379-N382 PolarHBondContact O-N 3.06Å; I380-N382 PolarHBondContact O-N 2.95Å; N382-R384 VanDerWaalsContact C-N 3.29Å; N382-R384 PolarHBondContact O-N 2.92Å; N382-R385 WeakPolarHBondContact O-CB 3.42Å; N382-R385 PolarHBondContact O-N 3.37Å; N382-R385 VanDerWaalsContact O-N 3.15Å; N382-A386 PolarHBondContact O-N 2.72Å; N382-A386 VanDerWaalsContact O-N 3.09Å
383	T	98.2	Very high	94.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-33.3	178.5	51.8	0	0	0	0	112.5	L281 Y379 I380 A386 A387 Y398	L281-T383 HydrophobicContact CB-CG2 4.11Å; L281-T383 HydrophobicContact CD1-CG2 4.41Å; Y379-T383 HydrophobicContact CD1-CG2 3.94Å; Y379-T383 HydrophobicContact CE1-CG2 3.6Å; Y379-T383 HydrophobicContact CE2-CG2 4.26Å; Y379-T383 HydrophobicContact CG-CG2 4.43Å; Y379-T383 WeakPolarHBondContact O-CB 3.44Å; Y379-T383 WeakPolarHBondContact O-CG2 3.49Å; Y379-T383 PolarHBondContact O-N 3.43Å; Y379-T383 PolarHBondContact O-OG1 3.03Å; I380-T383 PolarHBondContact O-N 2.81Å; I380-T383 PolarHBondContact O-OG1 2.99Å; T383-A386 PolarHBondContact O-N 2.75Å; T383-A387 WeakPolarHBondContact O-CB 3.4Å; T383-A387 PolarHBondContact O-N 3.12Å; T383-Y398 PolarHBondContact OG1-OH 3.27Å
384	R	97.9	Very high	95.3	Very high	17 Å²	17	26.4 Å²	26.4	6%	0.064	15%	0.146	C	C	.	.	H	α-helix	trans	-65.1	-42.1	171.6	-76.3	-168.5	74.3	-174.1	-9.7	113	I380 K381 N382 A386 A387 E388 Y398 Y399 A405 K408 F410	I380-R384 HydrophobicContact CG2-CG 4.2Å; I380-R384 VanDerWaalsContact O-CB 3.27Å; I380-R384 WeakPolarHBondContact O-CB 3.41Å; I380-R384 WeakPolarHBondContact O-CG 3.23Å; I380-R384 PolarHBondContact O-N 2.87Å; K381-R384 PolarHBondContact O-N 2.89Å; N382-R384 VanDerWaalsContact C-N 3.29Å; N382-R384 PolarHBondContact O-N 2.92Å; R384-A386 VanDerWaalsContact C-N 3.28Å; R384-A386 PolarHBondContact O-N 2.95Å; R384-A387 PolarHBondContact O-N 2.84Å; R384-E388 VanDerWaalsContact O-CB 3.32Å; R384-E388 WeakPolarHBondContact O-CB 3.31Å; R384-E388 VanDerWaalsContact O-CG 3.29Å; R384-E388 WeakPolarHBondContact O-CG 3.49Å; R384-E388 PolarHBondContact O-N 2.87Å; R384-Y398 HydrophobicContact CG-CE1 3.74Å; R384-Y398 WeakPolarHBondContact CG-OH 3.29Å; R384-Y399 HydrophobicContact CG-CE1 4.25Å; R384-Y399 PolarHBondContact NE-OH 3.14Å; R384-Y399 PolarHBondContact NH2-OH 3.35Å; R384-Y399 VanDerWaalsContact NH2-OH 3.11Å; R384-A405 VanDerWaalsContact CD-O 3.29Å; R384-A405 WeakPolarHBondContact CD-O 3.34Å; R384-A405 HydrophobicContact CG-CB 4.19Å; R384-A405 VanDerWaalsContact CZ-O 3.3Å; R384-A405 PolarHBondContact NE-O 2.75Å; R384-A405 PolarHBondContact NH1-O 3.42Å; R384-K408 PolarHBondContact NH1-O 3.15Å; R384-F410 HydrophobicContact CB-CB 4.01Å; R384-F410 HydrophobicContact CB-CD1 4.4Å; R384-F410 HydrophobicContact CB-CG 4.21Å; R384-F410 VanDerWaalsContact CZ-CD1 3.4Å
385	R	98.6	Very high	95.5	Very high	2 Å²	2	28 Å²	28	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-58.8	-43.4	174.9	-66.3	179	66.5	72	9.8	110.9	D327 M330 K381 N382 V389 F410 S412 I413	D327-R385 VanDerWaalsContact CG-NH2 3.26Å; D327-R385 IonicContact OD1-CZ 3.89Å; D327-R385 IonicContact OD1-NE 3.65Å; D327-R385 IonicContact OD1-NH2 2.65Å; D327-R385 PolarHBondContact OD1-NH2 3Å; D327-R385 IonicContact OD2-CZ 2.8Å; D327-R385 IonicContact OD2-NE 3.75Å; D327-R385 PolarHBondContact OD2-NE 2.77Å; D327-R385 IonicContact OD2-NH2 2.65Å; D327-R385 PolarHBondContact OD2-NH2 2.93Å; M330-R385 HydrophobicContact CE-CB 4.08Å; K381-R385 WeakPolarHBondContact O-CG 2.98Å; K381-R385 PolarHBondContact O-N 2.98Å; K381-R385 VanDerWaalsContact O-N 3.11Å; N382-R385 WeakPolarHBondContact O-CB 3.42Å; N382-R385 PolarHBondContact O-N 3.37Å; N382-R385 VanDerWaalsContact O-N 3.15Å; R385-V389 WeakPolarHBondContact O-CB 3.33Å; R385-V389 VanDerWaalsContact O-CG2 3.23Å; R385-V389 WeakPolarHBondContact O-CG2 3.38Å; R385-V389 PolarHBondContact O-N 3.3Å; R385-F410 WeakPolarHBondContact CD-O 3.47Å; R385-F410 HydrophobicContact CG-CB 4.03Å; R385-F410 HydrophobicContact CG-CD2 4.23Å; R385-F410 WeakPolarHBondContact CG-O 3.28Å; R385-F410 PolarHBondContact NH1-O 3.36Å; R385-S412 PolarHBondContact NH1-O 3.33Å; R385-S412 PolarHBondContact NH2-O 3.06Å; R385-I413 HydrophobicContact CB-CG2 4.44Å; R385-I413 HydrophobicContact CG-CG2 4.29Å
386	A	98.6	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.1	-49.9	174.4	0	0	0	0	0	111.9	M330 E339 N382 T383 R384 V389 W390	M330-A386 HydrophobicContact CE-CB 4.31Å; E339-A386 HydrophobicContact CB-CB 4Å; E339-A386 HydrophobicContact CG-CB 4.48Å; N382-A386 PolarHBondContact O-N 2.72Å; N382-A386 VanDerWaalsContact O-N 3.09Å; T383-A386 PolarHBondContact O-N 2.75Å; R384-A386 VanDerWaalsContact C-N 3.28Å; R384-A386 PolarHBondContact O-N 2.95Å; A386-V389 PolarHBondContact O-N 3.12Å; A386-W390 WeakPolarHBondContact O-CB 3.35Å; A386-W390 PolarHBondContact O-N 2.74Å
387	A	98.4	Very high	95.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-46.6	-177.9	0	0	0	0	0	112.9	L281 T383 R384 V389 M391 K395 Y398	L281-A387 HydrophobicContact CD1-CB 4.18Å; T383-A387 WeakPolarHBondContact O-CB 3.4Å; T383-A387 PolarHBondContact O-N 3.12Å; R384-A387 PolarHBondContact O-N 2.84Å; A387-V389 VanDerWaalsContact C-N 3.3Å; A387-V389 PolarHBondContact O-N 3.28Å; A387-M391 HydrophobicContact CB-CG 4.38Å; A387-M391 HydrophobicContact CB-SD 3.62Å; A387-M391 WeakPolarHBondContact O-CB 3.27Å; A387-M391 PolarHBondContact O-N 3.49Å; A387-K395 HydrophobicContact CB-CB 4.28Å; A387-Y398 HydrophobicContact CB-CD1 4.08Å; A387-Y398 HydrophobicContact CB-CG 4.29Å
388	E	98.1	Very high	95.4	Very high	38 Å²	38	23.6 Å²	23.6	18%	0.178	11%	0.106	C	C	.	.	H	α-helix	trans	-67	-30.8	-177.8	-71.8	-68.3	169.8	0	0	113.2	R384 K395 Y399 F410 I413	R384-E388 VanDerWaalsContact O-CB 3.32Å; R384-E388 WeakPolarHBondContact O-CB 3.31Å; R384-E388 VanDerWaalsContact O-CG 3.29Å; R384-E388 WeakPolarHBondContact O-CG 3.49Å; R384-E388 PolarHBondContact O-N 2.87Å; E388-K395 WeakPolarHBondContact OE2-CD 3.45Å; E388-K395 WeakPolarHBondContact OE2-CE 3.32Å; E388-K395 IonicContact OE2-NZ 2.94Å; E388-K395 PolarHBondContact OE2-NZ 3.09Å; E388-Y399 WeakPolarHBondContact OE1-CE2 3.4Å; E388-Y399 PolarHBondContact OE1-OH 2.05Å; E388-F410 HydrophobicContact CB-CE2 4.31Å; E388-F410 HydrophobicContact CG-CE1 4.39Å; E388-F410 HydrophobicContact CG-CE2 4.03Å; E388-F410 HydrophobicContact CG-CZ 3.87Å; E388-I413 HydrophobicContact CB-CD1 3.62Å
389	V	98.8	Very high	95	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-85.4	-39.6	179	176.5	0	0	0	0	111.8	R385 A386 A387 I413 R416 L417 R420	R385-V389 WeakPolarHBondContact O-CB 3.33Å; R385-V389 VanDerWaalsContact O-CG2 3.23Å; R385-V389 WeakPolarHBondContact O-CG2 3.38Å; R385-V389 PolarHBondContact O-N 3.3Å; A386-V389 PolarHBondContact O-N 3.12Å; A387-V389 VanDerWaalsContact C-N 3.3Å; A387-V389 PolarHBondContact O-N 3.28Å; V389-I413 HydrophobicContact CG2-CB 3.77Å; V389-I413 HydrophobicContact CG2-CD1 3.96Å; V389-I413 HydrophobicContact CG2-CG1 4.42Å; V389-I413 HydrophobicContact CG2-CG2 4.05Å; V389-R416 HydrophobicContact CB-CB 4.48Å; V389-R416 HydrophobicContact CG1-CB 3.91Å; V389-R416 HydrophobicContact CG2-CB 3.72Å; V389-L417 HydrophobicContact CG1-CD2 4.48Å; V389-R420 VanDerWaalsContact O-CD 3.28Å; V389-R420 WeakPolarHBondContact O-CD 3.45Å; V389-R420 PolarHBondContact O-NH1 3.09Å
390	W	98.8	Very high	94.4	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-113.9	-22	-163.7	-61.7	104.3	0	0	0	115.1	E339 F342 R343 M346 A386 R420 C425 F428	E339-W390 PolarHBondContact OE1-NE1 3.36Å; E339-W390 VanDerWaalsContact OE1-NE1 3.12Å; F342-W390 HydrophobicContact CB-CB 3.96Å; F342-W390 HydrophobicContact CB-CD2 4.47Å; F342-W390 HydrophobicContact CB-CG 4.13Å; F342-W390 HydrophobicContact CD2-CB 3.89Å; F342-W390 HydrophobicContact CG-CB 4.38Å; R343-W390 HydrophobicContact CB-CD2 4.42Å; R343-W390 HydrophobicContact CB-CE3 4.41Å; R343-W390 HydrophobicContact CB-CH2 3.59Å; R343-W390 HydrophobicContact CB-CZ2 3.58Å; R343-W390 HydrophobicContact CB-CZ3 4.01Å; R343-W390 HydrophobicContact CG-CH2 3.46Å; R343-W390 VanDerWaalsContact CG-CH2 3.46Å; R343-W390 HydrophobicContact CG-CZ2 3.71Å; R343-W390 HydrophobicContact CG-CZ3 4.18Å; M346-W390 HydrophobicContact CE-CE3 4.13Å; M346-W390 WeakPolarHBondContact CE-O 3.49Å; M346-W390 HydrophobicContact SD-CB 4.45Å; M346-W390 HydrophobicContact SD-CE3 3.97Å; A386-W390 WeakPolarHBondContact O-CB 3.35Å; A386-W390 PolarHBondContact O-N 2.74Å; W390-R420 HydrophobicContact CE3-CG 4.33Å; W390-R420 HydrophobicContact CH2-CB 4.05Å; W390-R420 HydrophobicContact CH2-CG 4.1Å; W390-R420 HydrophobicContact CZ3-CB 4.23Å; W390-R420 HydrophobicContact CZ3-CG 3.76Å; W390-C425 HydrophobicContact CZ3-CB 4.31Å; W390-F428 WeakPolarHBondContact O-CB 3.41Å; W390-F428 WeakPolarHBondContact O-CD2 3.45Å
391	M	98	Very high	93.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.			trans	-94.4	1.4	-170.6	-64.2	176.8	68.5	0	0	115.1	W279 L281 F342 A387 E393 Y394 K395 F428	W279-M391 HydrophobicContact CE3-CE 4.02Å; W279-M391 HydrophobicContact CZ3-CE 3.91Å; L281-M391 HydrophobicContact CD1-SD 3.96Å; L281-M391 HydrophobicContact CD2-CE 4.38Å; L281-M391 HydrophobicContact CD2-SD 3.93Å; L281-M391 HydrophobicContact CG-SD 4.27Å; F342-M391 HydrophobicContact CE2-CG 4.09Å; F342-M391 HydrophobicContact CE2-SD 4.33Å; A387-M391 HydrophobicContact CB-CG 4.38Å; A387-M391 HydrophobicContact CB-SD 3.62Å; A387-M391 WeakPolarHBondContact O-CB 3.27Å; A387-M391 PolarHBondContact O-N 3.49Å; M391-E393 PolarHBondContact O-N 2.88Å; M391-Y394 WeakPolarHBondContact O-CA 3.35Å; M391-Y394 VanDerWaalsContact O-CB 3.24Å; M391-Y394 WeakPolarHBondContact O-CB 3.43Å; M391-Y394 PolarHBondContact O-N 3.37Å; M391-K395 HydrophobicContact CB-CB 4.12Å; M391-K395 PolarHBondContact O-N 2.98Å; M391-F428 HydrophobicContact CB-CD1 4.33Å; M391-F428 HydrophobicContact CB-CD2 4.44Å; M391-F428 HydrophobicContact CB-CE1 4.4Å; M391-F428 HydrophobicContact CB-CG 4.34Å; M391-F428 HydrophobicContact CB-CZ 4.5Å; M391-F428 HydrophobicContact CE-CE1 4.29Å; M391-F428 HydrophobicContact CE-CZ 4.28Å; M391-F428 HydrophobicContact CG-CD2 4.22Å; M391-F428 HydrophobicContact CG-CE1 4.24Å; M391-F428 HydrophobicContact CG-CE2 3.87Å; M391-F428 HydrophobicContact CG-CZ 3.88Å
392	D	95.8	Very high	93.4	Very high	39 Å²	39	30.3 Å²	30.3	21%	0.209	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	48.6	-131.9	179.6	-59.3	-33.2	0	0	0	112.4	Y394 K395 R420 P427 F428	D392-Y394 PolarHBondContact O-N 2.88Å; D392-K395 VanDerWaalsContact O-CD 3.27Å; D392-K395 WeakPolarHBondContact O-CD 3.24Å; D392-K395 WeakPolarHBondContact O-CG 3.05Å; D392-R420 VanDerWaalsContact CG-NH2 3.28Å; D392-R420 IonicContact OD1-CZ 3.2Å; D392-R420 IonicContact OD1-NH1 3.84Å; D392-R420 PolarHBondContact OD1-NH1 2.9Å; D392-R420 IonicContact OD1-NH2 3.89Å; D392-R420 PolarHBondContact OD1-NH2 3.3Å; D392-R420 IonicContact OD2-CZ 2.66Å; D392-R420 IonicContact OD2-NH2 2.85Å; D392-R420 PolarHBondContact OD2-NH2 3.44Å; D392-P427 WeakPolarHBondContact OD2-CA 3.3Å; D392-F428 HydrophobicContact CB-CB 4.25Å; D392-F428 PolarHBondContact OD2-N 2.68Å
393	E	88.9	Confident	92.6	Very high	105 Å²	105	34.2 Å²	34.2	49%	0.491	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-65.8	-23.4	174.5	66.2	-82.4	-170.7	0	0	113.5	M391 K395 Q396	M391-E393 PolarHBondContact O-N 2.88Å; E393-K395 PolarHBondContact O-N 3.42Å; E393-Q396 WeakPolarHBondContact O-CG 3.4Å; E393-Q396 PolarHBondContact O-N 3.26Å
394	Y	91.4	Very high	92.2	Very high	32 Å²	32	37.7 Å²	37.7	13%	0.125	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-70.5	-13.3	-177.6	-64.8	-101.6	0	0	0	113.2	W279 M391 D392 Q396 Y397 F428 R429 M432 V441	W279-Y394 AromaticContact CH2-CD1 3.72Å; W279-Y394 HydrophobicContact CH2-CD1 3.72Å; W279-Y394 HydrophobicContact CH2-CG 4.48Å; W279-Y394 HydrophobicContact CZ3-CD1 4.18Å; M391-Y394 WeakPolarHBondContact O-CA 3.35Å; M391-Y394 VanDerWaalsContact O-CB 3.24Å; M391-Y394 WeakPolarHBondContact O-CB 3.43Å; M391-Y394 PolarHBondContact O-N 3.37Å; D392-Y394 PolarHBondContact O-N 2.88Å; Y394-Q396 PolarHBondContact O-N 3.45Å; Y394-Q396 VanDerWaalsContact O-N 3.09Å; Y394-Y397 AromaticContact CD1-CD2 3.95Å; Y394-Y397 HydrophobicContact CD1-CD2 3.95Å; Y394-Y397 AromaticContact CD1-CE2 3.73Å; Y394-Y397 HydrophobicContact CD1-CE2 3.73Å; Y394-Y397 HydrophobicContact CE1-CE2 4.41Å; Y394-Y397 HydrophobicContact CG-CD2 4.41Å; Y394-Y397 HydrophobicContact CG-CE2 4.34Å; Y394-Y397 WeakPolarHBondContact O-CB 3.37Å; Y394-Y397 WeakPolarHBondContact O-CD2 3.32Å; Y394-Y397 PolarHBondContact O-N 3.18Å; Y394-F428 HydrophobicContact CD1-CD1 4.45Å; Y394-F428 HydrophobicContact CD2-CB 4.4Å; Y394-F428 AromaticContact CD2-CD1 3.73Å; Y394-F428 HydrophobicContact CD2-CD1 3.73Å; Y394-F428 HydrophobicContact CE2-CD1 4.48Å; Y394-F428 AromaticContact CG-CD1 3.71Å; Y394-F428 HydrophobicContact CG-CD1 3.71Å; Y394-F428 HydrophobicContact CG-CE1 4.19Å; Y394-R429 HydrophobicContact CE2-CB 3.97Å; Y394-M432 HydrophobicContact CD1-CG 4.4Å; Y394-M432 HydrophobicContact CE1-CG 4.14Å; Y394-V441 HydrophobicContact CD1-CG2 4.35Å; Y394-V441 HydrophobicContact CE1-CG2 3.89Å
395	K	93.4	Very high	91.8	Very high	65 Å²	65	36.9 Å²	36.9	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-57.3	-22.6	171.8	72.3	-168.7	172.4	-178.3	0	112.9	A387 E388 M391 D392 E393 Y397 Y398 Y399	A387-K395 HydrophobicContact CB-CB 4.28Å; E388-K395 WeakPolarHBondContact OE2-CD 3.45Å; E388-K395 WeakPolarHBondContact OE2-CE 3.32Å; E388-K395 IonicContact OE2-NZ 2.94Å; E388-K395 PolarHBondContact OE2-NZ 3.09Å; M391-K395 HydrophobicContact CB-CB 4.12Å; M391-K395 PolarHBondContact O-N 2.98Å; D392-K395 VanDerWaalsContact O-CD 3.27Å; D392-K395 WeakPolarHBondContact O-CD 3.24Å; D392-K395 WeakPolarHBondContact O-CG 3.05Å; E393-K395 PolarHBondContact O-N 3.42Å; K395-Y397 VanDerWaalsContact C-N 3.26Å; K395-Y397 PolarHBondContact O-N 2.96Å; K395-Y398 WeakPolarHBondContact O-CB 3.44Å; K395-Y398 PolarHBondContact O-N 2.79Å; K395-Y398 VanDerWaalsContact O-N 3.15Å; K395-Y399 HydrophobicContact CB-CE2 4.35Å; K395-Y399 HydrophobicContact CD-CE2 4.48Å; K395-Y399 HydrophobicContact CG-CD2 4.45Å; K395-Y399 HydrophobicContact CG-CE2 4.19Å; K395-Y399 WeakPolarHBondContact O-CD2 3.42Å; K395-Y399 PolarHBondContact O-N 3.37Å
396	Q	86.9	Confident	91.2	Very high	81 Å²	81	42.2 Å²	42.2	38%	0.379	23%	0.225	S	C	.	.	H	α-helix	trans	-57.7	-39.2	173.3	72.4	-170.3	-13.5	0	0	112.1	E393 Y394 Y398 Y399 S400	E393-Q396 WeakPolarHBondContact O-CG 3.4Å; E393-Q396 PolarHBondContact O-N 3.26Å; Y394-Q396 PolarHBondContact O-N 3.45Å; Y394-Q396 VanDerWaalsContact O-N 3.09Å; Q396-Y398 VanDerWaalsContact C-N 3.3Å; Q396-Y398 PolarHBondContact O-N 3.06Å; Q396-Y399 CarbonylContact O-C 3.58Å; Q396-Y399 PolarHBondContact O-N 2.81Å; Q396-Y399 VanDerWaalsContact O-N 3.14Å; Q396-S400 PolarHBondContact O-N 2.72Å; Q396-S400 PolarHBondContact O-OG 3.11Å; Q396-S400 VanDerWaalsContact O-OG 3.1Å
397	Y	87.8	Confident	90.5	Very high	35 Å²	35	46.1 Å²	46.1	14%	0.137	27%	0.266	C	S	.	.	H	α-helix	trans	-68.7	-31.8	178.8	-57.4	-64	0	0	0	112	W279 Y394 K395 S400 A401 V441 P442	W279-Y397 HydrophobicContact CD2-CG 4.38Å; W279-Y397 VanDerWaalsContact CE3-CB 3.49Å; W279-Y397 HydrophobicContact CE3-CD2 4.24Å; W279-Y397 HydrophobicContact CE3-CG 4.23Å; W279-Y397 HydrophobicContact CH2-CD2 4.22Å; W279-Y397 HydrophobicContact CZ3-CD2 4.02Å; W279-Y397 HydrophobicContact CZ3-CG 4.47Å; Y394-Y397 AromaticContact CD1-CD2 3.95Å; Y394-Y397 HydrophobicContact CD1-CD2 3.95Å; Y394-Y397 AromaticContact CD1-CE2 3.73Å; Y394-Y397 HydrophobicContact CD1-CE2 3.73Å; Y394-Y397 HydrophobicContact CE1-CE2 4.41Å; Y394-Y397 HydrophobicContact CG-CD2 4.41Å; Y394-Y397 HydrophobicContact CG-CE2 4.34Å; Y394-Y397 WeakPolarHBondContact O-CB 3.37Å; Y394-Y397 WeakPolarHBondContact O-CD2 3.32Å; Y394-Y397 PolarHBondContact O-N 3.18Å; K395-Y397 VanDerWaalsContact C-N 3.26Å; K395-Y397 PolarHBondContact O-N 2.96Å; Y397-S400 PolarHBondContact O-N 2.97Å; Y397-A401 VanDerWaalsContact O-CB 3.28Å; Y397-A401 WeakPolarHBondContact O-CB 3.39Å; Y397-A401 PolarHBondContact O-N 3.13Å; Y397-V441 HydrophobicContact CD1-CG1 4.38Å; Y397-V441 HydrophobicContact CD2-CG1 4.1Å; Y397-V441 HydrophobicContact CE1-CG1 3.74Å; Y397-V441 HydrophobicContact CE2-CG1 3.45Å; Y397-V441 VanDerWaalsContact CE2-CG1 3.45Å; Y397-V441 WeakPolarHBondContact OH-CG1 3.39Å; Y397-P442 HydrophobicContact CD1-CG 4.08Å
398	Y	92.5	Very high	90.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-46.2	169.4	163.5	-94.5	0	0	0	112	W279 L281 T383 R384 A387 K395 Q396 S400 A401 R402 A405	W279-Y398 WeakPolarHBondContact O-CA 3.35Å; W279-Y398 WeakPolarHBondContact O-CB 3.49Å; L281-Y398 HydrophobicContact CB-CD2 4.21Å; L281-Y398 HydrophobicContact CB-CE2 4.31Å; L281-Y398 HydrophobicContact CD1-CD2 3.77Å; L281-Y398 HydrophobicContact CD1-CE2 3.97Å; L281-Y398 HydrophobicContact CD1-CG 4.41Å; L281-Y398 HydrophobicContact CG-CD2 3.76Å; L281-Y398 HydrophobicContact CG-CE2 4.22Å; T383-Y398 PolarHBondContact OG1-OH 3.27Å; R384-Y398 HydrophobicContact CG-CE1 3.74Å; R384-Y398 WeakPolarHBondContact CG-OH 3.29Å; A387-Y398 HydrophobicContact CB-CD1 4.08Å; A387-Y398 HydrophobicContact CB-CG 4.29Å; K395-Y398 WeakPolarHBondContact O-CB 3.44Å; K395-Y398 PolarHBondContact O-N 2.79Å; K395-Y398 VanDerWaalsContact O-N 3.15Å; Q396-Y398 VanDerWaalsContact C-N 3.3Å; Q396-Y398 PolarHBondContact O-N 3.06Å; Y398-S400 VanDerWaalsContact C-N 3.3Å; Y398-S400 PolarHBondContact O-N 2.73Å; Y398-A401 PolarHBondContact O-N 3.42Å; Y398-R402 HydrophobicContact CE2-CB 4.43Å; Y398-R402 PolarHBondContact O-N 3.15Å; Y398-A405 HydrophobicContact CE1-CB 3.72Å; Y398-A405 WeakPolarHBondContact OH-CB 3.39Å
399	Y	86.4	Confident	89.9	Confident	30 Å²	30	53.3 Å²	53.3	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-67.6	-28.9	177.2	-69.9	-56.7	0	0	0	113.6	R384 E388 K395 Q396 R402 P403 A405 Q406	R384-Y399 HydrophobicContact CG-CE1 4.25Å; R384-Y399 PolarHBondContact NE-OH 3.14Å; R384-Y399 PolarHBondContact NH2-OH 3.35Å; R384-Y399 VanDerWaalsContact NH2-OH 3.11Å; E388-Y399 WeakPolarHBondContact OE1-CE2 3.4Å; E388-Y399 PolarHBondContact OE1-OH 2.05Å; K395-Y399 HydrophobicContact CB-CE2 4.35Å; K395-Y399 HydrophobicContact CD-CE2 4.48Å; K395-Y399 HydrophobicContact CG-CD2 4.45Å; K395-Y399 HydrophobicContact CG-CE2 4.19Å; K395-Y399 WeakPolarHBondContact O-CD2 3.42Å; K395-Y399 PolarHBondContact O-N 3.37Å; Q396-Y399 CarbonylContact O-C 3.58Å; Q396-Y399 PolarHBondContact O-N 2.81Å; Q396-Y399 VanDerWaalsContact O-N 3.14Å; Y399-R402 CarbonylContact O-C 3.48Å; Y399-P403 VanDerWaalsContact O-CA 3.31Å; Y399-P403 WeakPolarHBondContact O-CA 3.14Å; Y399-A405 HydrophobicContact CD1-CB 4.12Å; Y399-A405 HydrophobicContact CE1-CB 4.14Å; Y399-Q406 HydrophobicContact CD1-CG 3.86Å; Y399-Q406 HydrophobicContact CG-CG 4.23Å; Y399-Q406 PolarHBondContact O-NE2 3.47Å
400	S	82.9	Confident	89.8	Confident	86 Å²	86	55.2 Å²	55.2	60%	0.601	32%	0.322	S	S	*	.	H	α-helix	trans	-71.5	-44	171.6	-61.1	0	0	0	0	111.8	Q396 Y397 Y398 R402 P403	Q396-S400 PolarHBondContact O-N 2.72Å; Q396-S400 PolarHBondContact O-OG 3.11Å; Q396-S400 VanDerWaalsContact O-OG 3.1Å; Y397-S400 PolarHBondContact O-N 2.97Å; Y398-S400 VanDerWaalsContact C-N 3.3Å; Y398-S400 PolarHBondContact O-N 2.73Å; S400-R402 VanDerWaalsContact C-N 3.31Å; S400-R402 PolarHBondContact O-N 3.01Å; S400-P403 WeakPolarHBondContact O-CD 3.38Å
401	A	84.1	Confident	89.7	Confident	53 Å²	53	57.7 Å²	57.7	44%	0.438	35%	0.347	S	S	.	.	H	α-helix	trans	-72.7	-25	179	0	0	0	0	0	112.8	W279 Y397 Y398	W279-A401 HydrophobicContact CB-CB 4Å; Y397-A401 VanDerWaalsContact O-CB 3.28Å; Y397-A401 WeakPolarHBondContact O-CB 3.39Å; Y397-A401 PolarHBondContact O-N 3.13Å; Y398-A401 PolarHBondContact O-N 3.42Å
402	R	87.4	Confident	89.6	Confident	52 Å²	52	61.6 Å²	61.6	20%	0.196	38%	0.375	C	S	.	.			trans	-133.7	73.8	177.7	-164.9	173.3	-68	-124.6	-1.6	111.5	S280 Y398 Y399 S400 S404 A405	S280-R402 PolarHBondContact O-NE 3.46Å; S280-R402 PolarHBondContact O-NH2 3.22Å; S280-R402 PolarHBondContact OG-NH2 3.42Å; Y398-R402 HydrophobicContact CE2-CB 4.43Å; Y398-R402 PolarHBondContact O-N 3.15Å; Y399-R402 CarbonylContact O-C 3.48Å; S400-R402 VanDerWaalsContact C-N 3.31Å; S400-R402 PolarHBondContact O-N 3.01Å; R402-S404 PolarHBondContact O-N 3.36Å; R402-S404 VanDerWaalsContact O-N 3.12Å; R402-A405 HydrophobicContact CB-CB 4.48Å; R402-A405 HydrophobicContact CG-CB 4.22Å; R402-A405 VanDerWaalsContact O-CB 3.24Å; R402-A405 WeakPolarHBondContact O-CB 3.25Å; R402-A405 PolarHBondContact O-N 3.09Å
403	P	82.2	Confident	89.8	Confident	81 Å²	81	60.7 Å²	60.7	53%	0.526	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-58.6	-29.9	-177.8	-25.8	35.8	0	0	0	113.9	Y399 S400 A405 Q406	Y399-P403 VanDerWaalsContact O-CA 3.31Å; Y399-P403 WeakPolarHBondContact O-CA 3.14Å; S400-P403 WeakPolarHBondContact O-CD 3.38Å; P403-A405 PolarHBondContact O-N 2.89Å; P403-A405 VanDerWaalsContact O-N 3.1Å; P403-Q406 WeakPolarHBondContact O-CB 3.18Å; P403-Q406 WeakPolarHBondContact O-CG 3.28Å; P403-Q406 PolarHBondContact O-N 3.36Å
404	S	88.5	Confident	90.2	Very high	73 Å²	73	58.2 Å²	58.2	51%	0.51	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-61.8	-16.4	176.2	58.8	0	0	0	0	114.2	R402 K408	R402-S404 PolarHBondContact O-N 3.36Å; R402-S404 VanDerWaalsContact O-N 3.12Å; S404-K408 WeakPolarHBondContact O-CG 3.28Å
405	A	91.3	Very high	90.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-75.8	-24.5	174.2	0	0	0	0	0	112.5	I380 R384 Y398 Y399 R402 P403 K408	I380-A405 HydrophobicContact CG2-CB 3.87Å; R384-A405 VanDerWaalsContact CD-O 3.29Å; R384-A405 WeakPolarHBondContact CD-O 3.34Å; R384-A405 HydrophobicContact CG-CB 4.19Å; R384-A405 VanDerWaalsContact CZ-O 3.3Å; R384-A405 PolarHBondContact NE-O 2.75Å; R384-A405 PolarHBondContact NH1-O 3.42Å; Y398-A405 HydrophobicContact CE1-CB 3.72Å; Y398-A405 WeakPolarHBondContact OH-CB 3.39Å; Y399-A405 HydrophobicContact CD1-CB 4.12Å; Y399-A405 HydrophobicContact CE1-CB 4.14Å; R402-A405 HydrophobicContact CB-CB 4.48Å; R402-A405 HydrophobicContact CG-CB 4.22Å; R402-A405 VanDerWaalsContact O-CB 3.24Å; R402-A405 WeakPolarHBondContact O-CB 3.25Å; R402-A405 PolarHBondContact O-N 3.09Å; P403-A405 PolarHBondContact O-N 2.89Å; P403-A405 VanDerWaalsContact O-N 3.1Å; A405-K408 PolarHBondContact O-N 2.92Å
406	Q	85.1	Confident	90.8	Very high	114 Å²	114	57.7 Å²	57.7	53%	0.533	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	138.2	-177.7	-61.6	-179.2	9.6	0	0	111.1	Y399 P403 K408	Y399-Q406 HydrophobicContact CD1-CG 3.86Å; Y399-Q406 HydrophobicContact CG-CG 4.23Å; Y399-Q406 PolarHBondContact O-NE2 3.47Å; P403-Q406 WeakPolarHBondContact O-CB 3.18Å; P403-Q406 WeakPolarHBondContact O-CG 3.28Å; P403-Q406 PolarHBondContact O-N 3.36Å; Q406-K408 PolarHBondContact O-N 3.46Å; Q406-K408 VanDerWaalsContact O-N 3.08Å
407	G	83.7	Confident	91.3	Very high	82 Å²	82	57 Å²	57	85%	0.845	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	-5.4	178.4	0	0	0	0	0	116.5
408	K	91.2	Very high	91.9	Very high	100 Å²	100	58.7 Å²	58.7	44%	0.435	38%	0.379	S	S	.	.			trans	-68.9	154.6	174.7	-59.4	-58.9	-177.9	-177	0	112.9	L377 I380 R384 S404 A405 Q406	L377-K408 HydrophobicContact CD2-CD 4.38Å; I380-K408 HydrophobicContact CG2-CB 4.23Å; I380-K408 HydrophobicContact CG2-CG 4.26Å; R384-K408 PolarHBondContact NH1-O 3.15Å; S404-K408 WeakPolarHBondContact O-CG 3.28Å; A405-K408 PolarHBondContact O-N 2.92Å; Q406-K408 PolarHBondContact O-N 3.46Å; Q406-K408 VanDerWaalsContact O-N 3.08Å
409	A	93.6	Very high	92.1	Very high	90 Å²	90	59.8 Å²	59.8	74%	0.744	39%	0.385	S	S	*	.			trans	-80.2	141.6	173.6	0	0	0	0	0	110.2
410	F	95.7	Very high	92.7	Very high	41 Å²	41	59.9 Å²	59.9	18%	0.18	39%	0.385	C	S	.	.			trans	-133.5	8.3	174.6	59.8	-88.2	0	0	0	113.3	R384 R385 E388 I413	R384-F410 HydrophobicContact CB-CB 4.01Å; R384-F410 HydrophobicContact CB-CD1 4.4Å; R384-F410 HydrophobicContact CB-CG 4.21Å; R384-F410 VanDerWaalsContact CZ-CD1 3.4Å; R385-F410 WeakPolarHBondContact CD-O 3.47Å; R385-F410 HydrophobicContact CG-CB 4.03Å; R385-F410 HydrophobicContact CG-CD2 4.23Å; R385-F410 WeakPolarHBondContact CG-O 3.28Å; R385-F410 PolarHBondContact NH1-O 3.36Å; E388-F410 HydrophobicContact CB-CE2 4.31Å; E388-F410 HydrophobicContact CG-CE1 4.39Å; E388-F410 HydrophobicContact CG-CE2 4.03Å; E388-F410 HydrophobicContact CG-CZ 3.87Å; F410-I413 HydrophobicContact CD2-CG2 3.91Å; F410-I413 HydrophobicContact CE2-CD1 4.08Å; F410-I413 HydrophobicContact CE2-CG1 4.24Å; F410-I413 HydrophobicContact CE2-CG2 3.9Å
411	G	96.4	Very high	93.5	Very high	53 Å²	53	64.3 Å²	64.3	55%	0.546	39%	0.389	S	S	.	.			trans	71.9	-178.7	-178.7	0	0	0	0	0	113.6
412	S	97.6	Very high	94.2	Very high	82 Å²	82	70.2 Å²	70.2	57%	0.573	41%	0.405	S	S	*	.			trans	-70.6	140.7	176.7	-176.7	0	0	0	0	111.3	R385 A414	R385-S412 PolarHBondContact NH1-O 3.33Å; R385-S412 PolarHBondContact NH2-O 3.06Å; S412-A414 PolarHBondContact OG-N 3.04Å
413	I	98.4	Very high	94.7	Very high	20 Å²	20	69.1 Å²	69.1	10%	0.103	40%	0.403	C	S	.	.			trans	-119.8	12.6	174.7	57.8	167.9	0	0	0	112	R385 E388 V389 F410 D415 R416 L417	R385-I413 HydrophobicContact CB-CG2 4.44Å; R385-I413 HydrophobicContact CG-CG2 4.29Å; E388-I413 HydrophobicContact CB-CD1 3.62Å; V389-I413 HydrophobicContact CG2-CB 3.77Å; V389-I413 HydrophobicContact CG2-CD1 3.96Å; V389-I413 HydrophobicContact CG2-CG1 4.42Å; V389-I413 HydrophobicContact CG2-CG2 4.05Å; F410-I413 HydrophobicContact CD2-CG2 3.91Å; F410-I413 HydrophobicContact CE2-CD1 4.08Å; F410-I413 HydrophobicContact CE2-CG1 4.24Å; F410-I413 HydrophobicContact CE2-CG2 3.9Å; I413-D415 VanDerWaalsContact C-N 3.3Å; I413-D415 PolarHBondContact O-N 3.46Å; I413-R416 PolarHBondContact O-N 3.4Å; I413-L417 HydrophobicContact CD1-CD1 3.95Å; I413-L417 HydrophobicContact CD1-CG 4.23Å; I413-L417 HydrophobicContact CG1-CD1 3.95Å; I413-L417 HydrophobicContact CG1-CG 4.31Å; I413-L417 WeakPolarHBondContact O-CG 3.44Å; I413-L417 PolarHBondContact O-N 2.91Å
414	A	98.4	Very high	95.5	Very high	53 Å²	53	72 Å²	72	44%	0.438	41%	0.414	S	S	.	.	H	α-helix	trans	-61.9	-36.5	-172.4	0	0	0	0	0	113	S412 T418	S412-A414 PolarHBondContact OG-N 3.04Å; A414-T418 WeakPolarHBondContact O-CB 3.22Å; A414-T418 PolarHBondContact O-N 3.37Å; A414-T418 PolarHBondContact O-OG1 2.82Å
415	D	97.9	Very high	95.9	Very high	53 Å²	53	69.5 Å²	69.5	28%	0.283	40%	0.396	S	S	.	.	H	α-helix	trans	-67	-44	176.6	67.9	-45.9	0	0	0	111.1	I413 T418 L419	I413-D415 VanDerWaalsContact C-N 3.3Å; I413-D415 PolarHBondContact O-N 3.46Å; D415-T418 PolarHBondContact O-N 2.71Å; D415-L419 WeakPolarHBondContact O-CB 3.49Å; D415-L419 PolarHBondContact O-N 3.18Å
416	R	98.6	Very high	96.3	Very high	33 Å²	33	74.7 Å²	74.7	13%	0.125	42%	0.418	C	S	.	.	H	α-helix	trans	-65.9	-40.6	177.1	-61.9	-56.8	97	175.9	7.3	112.4	G324 D327 V389 I413 T418 L419 R420	G324-R416 PolarHBondContact O-NH1 3.16Å; D327-R416 HydrophobicContact CB-CG 4.43Å; V389-R416 HydrophobicContact CB-CB 4.48Å; V389-R416 HydrophobicContact CG1-CB 3.91Å; V389-R416 HydrophobicContact CG2-CB 3.72Å; I413-R416 PolarHBondContact O-N 3.4Å; R416-T418 VanDerWaalsContact C-N 3.33Å; R416-T418 PolarHBondContact O-N 2.9Å; R416-L419 WeakPolarHBondContact O-CB 3.45Å; R416-L419 PolarHBondContact O-N 2.94Å; R416-R420 PolarHBondContact O-N 2.76Å
417	L	98.4	Very high	96.9	Very high	67 Å²	67	72.4 Å²	72.4	35%	0.351	41%	0.414	S	S	.	.	H	α-helix	trans	-64.4	-37.5	173.3	-70	172.4	0	0	0	112.1	V389 I413 R421	V389-L417 HydrophobicContact CG1-CD2 4.48Å; I413-L417 HydrophobicContact CD1-CD1 3.95Å; I413-L417 HydrophobicContact CD1-CG 4.23Å; I413-L417 HydrophobicContact CG1-CD1 3.95Å; I413-L417 HydrophobicContact CG1-CG 4.31Å; I413-L417 WeakPolarHBondContact O-CG 3.44Å; I413-L417 PolarHBondContact O-N 2.91Å; L417-R421 WeakPolarHBondContact O-CG 2.88Å; L417-R421 PolarHBondContact O-N 2.83Å; L417-R421 VanDerWaalsContact O-N 3.15Å; L417-R421 PolarHBondContact O-NE 2.8Å
418	T	98.7	Very high	97.6	Very high	69 Å²	69	68.5 Å²	68.5	42%	0.423	37%	0.373	S	S	.	.	H	α-helix	trans	-68	-42.3	176.1	-60.6	0	0	0	0	111.4	A414 D415 R416 R421 K422	A414-T418 WeakPolarHBondContact O-CB 3.22Å; A414-T418 PolarHBondContact O-N 3.37Å; A414-T418 PolarHBondContact O-OG1 2.82Å; D415-T418 PolarHBondContact O-N 2.71Å; R416-T418 VanDerWaalsContact C-N 3.33Å; R416-T418 PolarHBondContact O-N 2.9Å; T418-R421 PolarHBondContact O-N 3.49Å; T418-R421 PolarHBondContact OG1-NH2 3.41Å; T418-K422 WeakPolarHBondContact O-CB 3.35Å; T418-K422 PolarHBondContact O-N 2.88Å
419	L	98.7	Very high	97.7	Very high	23 Å²	23	70.3 Å²	70.3	12%	0.12	38%	0.377	C	S	.	.	H	α-helix	trans	-58.7	-49	173.1	175.8	65.5	0	0	0	111.6	L323 D415 R416 R421 K422 L423	L323-L419 WeakPolarHBondContact O-CD2 3.18Å; D415-L419 WeakPolarHBondContact O-CB 3.49Å; D415-L419 PolarHBondContact O-N 3.18Å; R416-L419 WeakPolarHBondContact O-CB 3.45Å; R416-L419 PolarHBondContact O-N 2.94Å; L419-R421 VanDerWaalsContact C-N 3.29Å; L419-R421 PolarHBondContact O-N 3.15Å; L419-K422 WeakPolarHBondContact O-CB 3.42Å; L419-K422 PolarHBondContact O-N 2.88Å; L419-K422 VanDerWaalsContact O-N 3.12Å; L419-L423 HydrophobicContact CD1-CD1 3.77Å; L419-L423 HydrophobicContact CD1-CG 4.05Å; L419-L423 HydrophobicContact CG-CD1 3.98Å; L419-L423 WeakPolarHBondContact O-CG 3.4Å; L419-L423 PolarHBondContact O-N 2.71Å
420	R	98.7	Very high	97.9	Very high	32 Å²	32	69.7 Å²	69.7	12%	0.121	36%	0.356	C	S	.	.	H	α-helix	trans	-56.3	-42.3	177.5	-176.3	176	176.9	-156.7	-5.1	112.3	V389 W390 D392 R416 N424 C425	V389-R420 VanDerWaalsContact O-CD 3.28Å; V389-R420 WeakPolarHBondContact O-CD 3.45Å; V389-R420 PolarHBondContact O-NH1 3.09Å; W390-R420 HydrophobicContact CE3-CG 4.33Å; W390-R420 HydrophobicContact CH2-CB 4.05Å; W390-R420 HydrophobicContact CH2-CG 4.1Å; W390-R420 HydrophobicContact CZ3-CB 4.23Å; W390-R420 HydrophobicContact CZ3-CG 3.76Å; D392-R420 VanDerWaalsContact CG-NH2 3.28Å; D392-R420 IonicContact OD1-CZ 3.2Å; D392-R420 IonicContact OD1-NH1 3.84Å; D392-R420 PolarHBondContact OD1-NH1 2.9Å; D392-R420 IonicContact OD1-NH2 3.89Å; D392-R420 PolarHBondContact OD1-NH2 3.3Å; D392-R420 IonicContact OD2-CZ 2.66Å; D392-R420 IonicContact OD2-NH2 2.85Å; D392-R420 PolarHBondContact OD2-NH2 3.44Å; R416-R420 PolarHBondContact O-N 2.76Å; R420-N424 PolarHBondContact O-N 3.31Å; R420-C425 HydrophobicContact CG-CB 4.02Å; R420-C425 PolarHBondContact O-N 3.48Å; R420-C425 PolarHBondContact O-SG 3.03Å
421	R	98.6	Very high	98.1	Very high	179 Å²	179	67.7 Å²	67.7	68%	0.675	35%	0.347	S	S	*	.	H	α-helix	trans	-66.1	-45.5	174.8	-71.6	-178.6	-66.2	144.7	-1.5	112.1	L417 T418 L419 L423 N424	L417-R421 WeakPolarHBondContact O-CG 2.88Å; L417-R421 PolarHBondContact O-N 2.83Å; L417-R421 VanDerWaalsContact O-N 3.15Å; L417-R421 PolarHBondContact O-NE 2.8Å; T418-R421 PolarHBondContact O-N 3.49Å; T418-R421 PolarHBondContact OG1-NH2 3.41Å; L419-R421 VanDerWaalsContact C-N 3.29Å; L419-R421 PolarHBondContact O-N 3.15Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 3.47Å; R421-N424 PolarHBondContact O-N 2.95Å
422	K	98.5	Very high	98.1	Very high	178 Å²	178	65.8 Å²	65.8	77%	0.774	32%	0.324	S	S	*	.	H	α-helix	trans	-59.3	-39.6	179.7	-177.5	-176	177	-174.6	0	112.2	T418 L419 N424	T418-K422 WeakPolarHBondContact O-CB 3.35Å; T418-K422 PolarHBondContact O-N 2.88Å; L419-K422 WeakPolarHBondContact O-CB 3.42Å; L419-K422 PolarHBondContact O-N 2.88Å; L419-K422 VanDerWaalsContact O-N 3.12Å; K422-N424 PolarHBondContact O-N 3.22Å
423	L	98.5	Very high	97.9	Very high	29 Å²	29	67 Å²	67	15%	0.152	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.9	179	-66.6	176.8	0	0	0	113.5	H322 L323 C347 L419 R421 C425	H322-L423 VanDerWaalsContact NE2-CD2 3.27Å; H322-L423 WeakPolarHBondContact NE2-CD2 3.49Å; L323-L423 HydrophobicContact CD2-CD1 3.97Å; C347-L423 HydrophobicContact CB-CB 4.35Å; C347-L423 HydrophobicContact CB-CD1 4.34Å; L419-L423 HydrophobicContact CD1-CD1 3.77Å; L419-L423 HydrophobicContact CD1-CG 4.05Å; L419-L423 HydrophobicContact CG-CD1 3.98Å; L419-L423 WeakPolarHBondContact O-CG 3.4Å; L419-L423 PolarHBondContact O-N 2.71Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 3.47Å; L423-C425 WeakPolarHBondContact CB-SG 3.39Å; L423-C425 PolarHBondContact O-N 2.91Å
424	N	98.3	Very high	97.8	Very high	142 Å²	142	70.5 Å²	70.5	76%	0.759	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	43.9	-178.1	-165.9	30.4	0	0	0	113	R420 R421 K422	R420-N424 PolarHBondContact O-N 3.31Å; R421-N424 PolarHBondContact O-N 2.95Å; K422-N424 PolarHBondContact O-N 3.22Å
425	C	98.7	Very high	97.8	Very high	19 Å²	19	68.7 Å²	68.7	13%	0.128	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-68.2	147.6	-174.8	-49	0	0	0	0	111.7	M346 C347 W390 R420 L423	M346-C425 HydrophobicContact CB-CB 4.24Å; M346-C425 CarbonylContact O-C 3.5Å; M346-C425 VanDerWaalsContact O-CA 3.26Å; M346-C425 WeakPolarHBondContact O-CA 3.4Å; M346-C425 WeakPolarHBondContact O-CB 3.11Å; C347-C425 HydrophobicContact CB-CB 4.07Å; C347-C425 WeakPolarHBondContact CB-SG 3.28Å; C347-C425 WeakPolarHBondContact SG-CB 3.41Å; C347-C425 CovalentContact SG-SG 2.04Å; C347-C425 PolarHBondContact SG-SG 2.87Å; W390-C425 HydrophobicContact CZ3-CB 4.31Å; R420-C425 HydrophobicContact CG-CB 4.02Å; R420-C425 PolarHBondContact O-N 3.48Å; R420-C425 PolarHBondContact O-SG 3.03Å; L423-C425 WeakPolarHBondContact CB-SG 3.39Å; L423-C425 PolarHBondContact O-N 2.91Å
426	K	98.6	Very high	97.8	Very high	109 Å²	109	66.2 Å²	66.2	47%	0.474	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-60.8	156	174	-59.3	-61.4	-176.4	-176.3	0	111.5	M346 W430	M346-K426 WeakPolarHBondContact CE-O 3.41Å; M346-K426 PolarHBondContact O-N 3.28Å; K426-W430 HydrophobicContact CB-CB 4.04Å; K426-W430 HydrophobicContact CB-CD2 3.79Å; K426-W430 HydrophobicContact CB-CE3 3.68Å; K426-W430 HydrophobicContact CB-CG 3.95Å; K426-W430 HydrophobicContact CB-CZ3 4.46Å; K426-W430 HydrophobicContact CG-CD2 3.84Å; K426-W430 HydrophobicContact CG-CE3 3.95Å; K426-W430 HydrophobicContact CG-CG 4.18Å; K426-W430 HydrophobicContact CG-CZ3 4.44Å
427	P	97.4	Very high	97.5	Very high	67 Å²	67	68.4 Å²	68.4	44%	0.435	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-70.4	158.1	172.4	30.1	-35.2	0	0	0	111.6	D392 R429 W430 Y431	D392-P427 WeakPolarHBondContact OD2-CA 3.3Å; P427-R429 PolarHBondContact O-N 3.22Å; P427-W430 HydrophobicContact CG-CB 4.14Å; P427-W430 WeakPolarHBondContact O-CB 3.45Å; P427-W430 PolarHBondContact O-N 3.04Å; P427-Y431 PolarHBondContact O-N 3.4Å
428	F	98.1	Very high	97.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-29.4	178.8	-163.3	-106.9	0	0	0	112.3	F277 W279 F342 M346 W390 M391 D392 Y394 W430 Y431 M432	F277-F428 HydrophobicContact CZ-CZ 4.43Å; W279-F428 HydrophobicContact CZ3-CE1 4.32Å; F342-F428 HydrophobicContact CD1-CE2 4.1Å; F342-F428 HydrophobicContact CD2-CE2 4.22Å; F342-F428 HydrophobicContact CE1-CE2 4.1Å; F342-F428 HydrophobicContact CE1-CZ 4.46Å; F342-F428 HydrophobicContact CE2-CE2 4.2Å; F342-F428 HydrophobicContact CG-CE2 4.18Å; F342-F428 HydrophobicContact CZ-CE2 4.15Å; F342-F428 HydrophobicContact CZ-CZ 4.34Å; M346-F428 HydrophobicContact CE-CB 4.27Å; M346-F428 HydrophobicContact CE-CD2 4.43Å; M346-F428 HydrophobicContact SD-CD2 3.94Å; W390-F428 WeakPolarHBondContact O-CB 3.41Å; W390-F428 WeakPolarHBondContact O-CD2 3.45Å; M391-F428 HydrophobicContact CB-CD1 4.33Å; M391-F428 HydrophobicContact CB-CD2 4.44Å; M391-F428 HydrophobicContact CB-CE1 4.4Å; M391-F428 HydrophobicContact CB-CG 4.34Å; M391-F428 HydrophobicContact CB-CZ 4.5Å; M391-F428 HydrophobicContact CE-CE1 4.29Å; M391-F428 HydrophobicContact CE-CZ 4.28Å; M391-F428 HydrophobicContact CG-CD2 4.22Å; M391-F428 HydrophobicContact CG-CE1 4.24Å; M391-F428 HydrophobicContact CG-CE2 3.87Å; M391-F428 HydrophobicContact CG-CZ 3.88Å; D392-F428 HydrophobicContact CB-CB 4.25Å; D392-F428 PolarHBondContact OD2-N 2.68Å; Y394-F428 HydrophobicContact CD1-CD1 4.45Å; Y394-F428 HydrophobicContact CD2-CB 4.4Å; Y394-F428 AromaticContact CD2-CD1 3.73Å; Y394-F428 HydrophobicContact CD2-CD1 3.73Å; Y394-F428 HydrophobicContact CE2-CD1 4.48Å; Y394-F428 AromaticContact CG-CD1 3.71Å; Y394-F428 HydrophobicContact CG-CD1 3.71Å; Y394-F428 HydrophobicContact CG-CE1 4.19Å; F428-W430 VanDerWaalsContact C-N 3.27Å; F428-W430 PolarHBondContact O-N 3.25Å; F428-Y431 HydrophobicContact CD2-CD1 4.19Å; F428-Y431 HydrophobicContact CD2-CG 4.4Å; F428-Y431 AromaticContact CE2-CD1 3.7Å; F428-Y431 HydrophobicContact CE2-CD1 3.7Å; F428-Y431 HydrophobicContact CE2-CE1 4.13Å; F428-Y431 HydrophobicContact CE2-CG 4.25Å; F428-Y431 AromaticContact CZ-CD1 3.9Å; F428-Y431 HydrophobicContact CZ-CD1 3.9Å; F428-Y431 HydrophobicContact CZ-CE1 4.16Å; F428-Y431 WeakPolarHBondContact O-CA 3.13Å; F428-Y431 VanDerWaalsContact O-CB 3.31Å; F428-Y431 WeakPolarHBondContact O-CB 3.46Å; F428-Y431 PolarHBondContact O-N 3.14Å; F428-M432 HydrophobicContact CD1-CG 3.87Å; F428-M432 HydrophobicContact CD1-SD 4.38Å; F428-M432 HydrophobicContact CE1-CG 3.76Å; F428-M432 HydrophobicContact CE1-SD 3.65Å; F428-M432 HydrophobicContact CZ-SD 4.11Å; F428-M432 WeakPolarHBondContact O-CG 3.23Å; F428-M432 PolarHBondContact O-N 2.89Å
429	R	94.9	Very high	97	Very high	137 Å²	137	66 Å²	66	52%	0.517	31%	0.311	S	S	.	.	H	α-helix	trans	-54.2	-43.3	169.9	-178.9	171.7	176.1	171	0.8	112.5	Y394 P427 Y431 M432 E433	Y394-R429 HydrophobicContact CE2-CB 3.97Å; P427-R429 PolarHBondContact O-N 3.22Å; R429-Y431 VanDerWaalsContact C-N 3.32Å; R429-Y431 PolarHBondContact O-N 3.4Å; R429-M432 PolarHBondContact O-N 3.17Å; R429-E433 HydrophobicContact CG-CG 4.47Å; R429-E433 WeakPolarHBondContact CG-OE1 3.2Å; R429-E433 IonicContact CZ-OE1 3.35Å; R429-E433 IonicContact NE-OE1 3.56Å; R429-E433 PolarHBondContact NE-OE1 2.95Å; R429-E433 IonicContact NH2-OE1 2.73Å; R429-E433 PolarHBondContact NH2-OE1 3.38Å; R429-E433 WeakPolarHBondContact O-CG 3.27Å; R429-E433 PolarHBondContact O-N 3.15Å
430	W	97.6	Very high	96.4	Very high	77 Å²	77	75.2 Å²	75.2	29%	0.292	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-40.7	176.3	173.7	90.4	0	0	0	110.9	W345 K426 P427 F428 M432 E433 N434 V435	W345-W430 WeakPolarHBondContact O-CZ3 3.42Å; K426-W430 HydrophobicContact CB-CB 4.04Å; K426-W430 HydrophobicContact CB-CD2 3.79Å; K426-W430 HydrophobicContact CB-CE3 3.68Å; K426-W430 HydrophobicContact CB-CG 3.95Å; K426-W430 HydrophobicContact CB-CZ3 4.46Å; K426-W430 HydrophobicContact CG-CD2 3.84Å; K426-W430 HydrophobicContact CG-CE3 3.95Å; K426-W430 HydrophobicContact CG-CG 4.18Å; K426-W430 HydrophobicContact CG-CZ3 4.44Å; P427-W430 HydrophobicContact CG-CB 4.14Å; P427-W430 WeakPolarHBondContact O-CB 3.45Å; P427-W430 PolarHBondContact O-N 3.04Å; F428-W430 VanDerWaalsContact C-N 3.27Å; F428-W430 PolarHBondContact O-N 3.25Å; W430-M432 PolarHBondContact O-N 3.34Å; W430-E433 PolarHBondContact O-N 2.93Å; W430-N434 HydrophobicContact CD2-CB 4.32Å; W430-N434 HydrophobicContact CZ2-CB 4.06Å; W430-N434 PolarHBondContact NE1-ND2 2.99Å; W430-N434 VanDerWaalsContact O-CB 3.29Å; W430-N434 WeakPolarHBondContact O-CB 3.47Å; W430-N434 PolarHBondContact O-N 2.87Å; W430-N434 PolarHBondContact O-ND2 3.25Å; W430-V435 HydrophobicContact CH2-CG2 4.05Å; W430-V435 HydrophobicContact CZ3-CG2 3.85Å
431	Y	98.7	Very high	95.6	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.1	-46.4	175	172.5	-85	0	0	0	111.3	F277 P306 F342 W345 M346 P427 F428 R429 E433 N434 V435 Y436	F277-Y431 HydrophobicContact CE1-CE1 4.28Å; F277-Y431 HydrophobicContact CZ-CE1 4.18Å; P306-Y431 WeakPolarHBondContact CB-OH 3.49Å; P306-Y431 PolarHBondContact O-OH 2.87Å; F342-Y431 HydrophobicContact CD1-CE1 4.29Å; F342-Y431 HydrophobicContact CD1-CE2 4.04Å; F342-Y431 AromaticContact CD1-CZ 3.86Å; F342-Y431 HydrophobicContact CE1-CE1 4.16Å; F342-Y431 AromaticContact CE1-CZ 3.94Å; W345-Y431 HydrophobicContact CB-CD2 3.82Å; W345-Y431 HydrophobicContact CB-CE2 3.98Å; W345-Y431 AromaticContact CD1-CE2 3.8Å; W345-Y431 HydrophobicContact CG-CD2 4.29Å; W345-Y431 HydrophobicContact CG-CE2 4.04Å; M346-Y431 HydrophobicContact CG-CD2 4.36Å; P427-Y431 PolarHBondContact O-N 3.4Å; F428-Y431 HydrophobicContact CD2-CD1 4.19Å; F428-Y431 HydrophobicContact CD2-CG 4.4Å; F428-Y431 AromaticContact CE2-CD1 3.7Å; F428-Y431 HydrophobicContact CE2-CD1 3.7Å; F428-Y431 HydrophobicContact CE2-CE1 4.13Å; F428-Y431 HydrophobicContact CE2-CG 4.25Å; F428-Y431 AromaticContact CZ-CD1 3.9Å; F428-Y431 HydrophobicContact CZ-CD1 3.9Å; F428-Y431 HydrophobicContact CZ-CE1 4.16Å; F428-Y431 WeakPolarHBondContact O-CA 3.13Å; F428-Y431 VanDerWaalsContact O-CB 3.31Å; F428-Y431 WeakPolarHBondContact O-CB 3.46Å; F428-Y431 PolarHBondContact O-N 3.14Å; R429-Y431 VanDerWaalsContact C-N 3.32Å; R429-Y431 PolarHBondContact O-N 3.4Å; Y431-E433 PolarHBondContact O-N 3.44Å; Y431-N434 PolarHBondContact O-N 3.49Å; Y431-V435 HydrophobicContact CD2-CB 3.79Å; Y431-V435 HydrophobicContact CD2-CG1 3.97Å; Y431-V435 HydrophobicContact CD2-CG2 4Å; Y431-V435 HydrophobicContact CE2-CB 3.9Å; Y431-V435 HydrophobicContact CE2-CG1 3.56Å; Y431-V435 HydrophobicContact CE2-CG2 4.43Å; Y431-V435 HydrophobicContact CG-CB 4.25Å; Y431-V435 WeakPolarHBondContact O-CA 3.4Å; Y431-V435 VanDerWaalsContact O-CB 3.27Å; Y431-V435 WeakPolarHBondContact O-CB 3.29Å; Y431-V435 PolarHBondContact O-N 2.66Å; Y431-Y436 HydrophobicContact CE1-CD1 4.47Å; Y431-Y436 PolarHBondContact O-N 2.8Å
432	M	96.3	Very high	94.5	Very high	12 Å²	12	70.6 Å²	70.6	6%	0.059	34%	0.34	C	S	.	.	H	α-helix	trans	-62.1	-41.9	176.7	-67	-60.2	-58.7	0	0	112.2	W279 Y394 F428 R429 W430 Y436 P437 L439 V441	W279-M432 HydrophobicContact CH2-CE 3.72Å; W279-M432 HydrophobicContact CH2-SD 3.94Å; W279-M432 HydrophobicContact CZ2-CE 3.75Å; Y394-M432 HydrophobicContact CD1-CG 4.4Å; Y394-M432 HydrophobicContact CE1-CG 4.14Å; F428-M432 HydrophobicContact CD1-CG 3.87Å; F428-M432 HydrophobicContact CD1-SD 4.38Å; F428-M432 HydrophobicContact CE1-CG 3.76Å; F428-M432 HydrophobicContact CE1-SD 3.65Å; F428-M432 HydrophobicContact CZ-SD 4.11Å; F428-M432 WeakPolarHBondContact O-CG 3.23Å; F428-M432 PolarHBondContact O-N 2.89Å; R429-M432 PolarHBondContact O-N 3.17Å; W430-M432 PolarHBondContact O-N 3.34Å; M432-Y436 CarbonylContact O-C 3.43Å; M432-P437 WeakPolarHBondContact O-CA 3.39Å; M432-L439 HydrophobicContact CE-CB 3.8Å; M432-L439 HydrophobicContact CE-CD2 3.92Å; M432-L439 HydrophobicContact CE-CG 3.88Å; M432-L439 WeakPolarHBondContact CE-O 3.21Å; M432-L439 HydrophobicContact SD-CD2 4.12Å; M432-V441 HydrophobicContact CE-CG2 4.28Å
433	E	94.6	Very high	92.8	Very high	107 Å²	107	69.8 Å²	69.8	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-76	-29.7	-177.3	-70.6	171.9	177.9	0	0	113.4	R429 W430 Y431	R429-E433 HydrophobicContact CG-CG 4.47Å; R429-E433 WeakPolarHBondContact CG-OE1 3.2Å; R429-E433 IonicContact CZ-OE1 3.35Å; R429-E433 IonicContact NE-OE1 3.56Å; R429-E433 PolarHBondContact NE-OE1 2.95Å; R429-E433 IonicContact NH2-OE1 2.73Å; R429-E433 PolarHBondContact NH2-OE1 3.38Å; R429-E433 WeakPolarHBondContact O-CG 3.27Å; R429-E433 PolarHBondContact O-N 3.15Å; W430-E433 PolarHBondContact O-N 2.93Å; Y431-E433 PolarHBondContact O-N 3.44Å
434	N	96.1	Very high	90.8	Very high	95 Å²	95	71.4 Å²	71.4	51%	0.508	35%	0.346	S	S	.	.	H	α-helix	trans	-116.7	-23.5	-167.9	-63.1	-96.4	0	0	0	114.4	W430 Y431	W430-N434 HydrophobicContact CD2-CB 4.32Å; W430-N434 HydrophobicContact CZ2-CB 4.06Å; W430-N434 PolarHBondContact NE1-ND2 2.99Å; W430-N434 VanDerWaalsContact O-CB 3.29Å; W430-N434 WeakPolarHBondContact O-CB 3.47Å; W430-N434 PolarHBondContact O-N 2.87Å; W430-N434 PolarHBondContact O-ND2 3.25Å; Y431-N434 PolarHBondContact O-N 3.49Å
435	V	97.7	Very high	88.9	Confident	15 Å²	15	73 Å²	73	9%	0.091	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-43.3	-176.3	-178.8	0	0	0	0	111.1	P306 W345 W430 Y431 P437	P306-V435 HydrophobicContact CB-CG1 4.44Å; W345-V435 HydrophobicContact CB-CG2 4.22Å; W345-V435 HydrophobicContact CD2-CB 4.37Å; W345-V435 HydrophobicContact CD2-CG1 3.62Å; W345-V435 HydrophobicContact CD2-CG2 3.78Å; W345-V435 HydrophobicContact CE3-CG1 4.22Å; W345-V435 HydrophobicContact CE3-CG2 3.66Å; W345-V435 HydrophobicContact CG-CG1 3.78Å; W345-V435 HydrophobicContact CG-CG2 4.05Å; W345-V435 HydrophobicContact CZ2-CG1 4.08Å; W345-V435 HydrophobicContact CZ3-CG2 4.26Å; W430-V435 HydrophobicContact CH2-CG2 4.05Å; W430-V435 HydrophobicContact CZ3-CG2 3.85Å; Y431-V435 HydrophobicContact CD2-CB 3.79Å; Y431-V435 HydrophobicContact CD2-CG1 3.97Å; Y431-V435 HydrophobicContact CD2-CG2 4Å; Y431-V435 HydrophobicContact CE2-CB 3.9Å; Y431-V435 HydrophobicContact CE2-CG1 3.56Å; Y431-V435 HydrophobicContact CE2-CG2 4.43Å; Y431-V435 HydrophobicContact CG-CB 4.25Å; Y431-V435 WeakPolarHBondContact O-CA 3.4Å; Y431-V435 VanDerWaalsContact O-CB 3.27Å; Y431-V435 WeakPolarHBondContact O-CB 3.29Å; Y431-V435 PolarHBondContact O-N 2.66Å; V435-P437 VanDerWaalsContact C-CD 3.49Å
436	Y	97.4	Very high	87.5	Confident	1 Å²	1	74.1 Å²	74.1	0%	0.004	36%	0.359	C	S	.	.			trans	-134	58.1	-176.8	-157.6	-169.5	0	0	0	114.6	G276 F277 E286 P306 Y431 M432 E438 L439	G276-Y436 WeakPolarHBondContact CA-OH 3.22Å; F277-Y436 HydrophobicContact CD1-CD1 4.05Å; F277-Y436 AromaticContact CD1-CE1 3.62Å; F277-Y436 HydrophobicContact CD1-CE1 3.62Å; F277-Y436 AromaticContact CE1-CD1 3.52Å; F277-Y436 HydrophobicContact CE1-CD1 3.52Å; F277-Y436 AromaticContact CE1-CE1 3.59Å; F277-Y436 HydrophobicContact CE1-CE1 3.59Å; F277-Y436 HydrophobicContact CG-CE1 4.24Å; F277-Y436 AromaticContact CZ-CD1 3.98Å; F277-Y436 HydrophobicContact CZ-CD1 3.98Å; F277-Y436 HydrophobicContact CZ-CE1 4.19Å; F277-Y436 PolarHBondContact N-OH 3.26Å; F277-Y436 VanDerWaalsContact N-OH 3.14Å; F277-Y436 PolarHBondContact O-OH 3.03Å; E286-Y436 PolarHBondContact OE1-OH 3.4Å; E286-Y436 WeakPolarHBondContact OE2-CE2 3.32Å; E286-Y436 PolarHBondContact OE2-OH 3.48Å; P306-Y436 HydrophobicContact CB-CD1 3.76Å; P306-Y436 HydrophobicContact CB-CD2 4.09Å; P306-Y436 HydrophobicContact CB-CE1 4.23Å; P306-Y436 HydrophobicContact CB-CG 3.67Å; P306-Y436 HydrophobicContact CG-CD1 4.17Å; P306-Y436 HydrophobicContact CG-CD2 3.55Å; P306-Y436 HydrophobicContact CG-CE2 3.96Å; P306-Y436 HydrophobicContact CG-CG 3.65Å; Y431-Y436 HydrophobicContact CE1-CD1 4.47Å; Y431-Y436 PolarHBondContact O-N 2.8Å; M432-Y436 CarbonylContact O-C 3.43Å; Y436-E438 HydrophobicContact CE2-CB 4.49Å; Y436-E438 PolarHBondContact O-N 3.1Å; Y436-L439 HydrophobicContact CD1-CB 3.64Å; Y436-L439 HydrophobicContact CD1-CD2 3.87Å; Y436-L439 HydrophobicContact CD1-CG 4.36Å; Y436-L439 HydrophobicContact CD2-CB 4.08Å; Y436-L439 HydrophobicContact CE1-CB 3.69Å; Y436-L439 HydrophobicContact CE1-CD2 3.88Å; Y436-L439 HydrophobicContact CE1-CG 4.22Å; Y436-L439 HydrophobicContact CE2-CB 4.12Å; Y436-L439 HydrophobicContact CG-CB 3.86Å; Y436-L439 PolarHBondContact O-N 3.3Å
437	P	93.1	Very high	86.5	Confident	78 Å²	78	72 Å²	72	51%	0.506	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.2	-178.2	28.5	-35.8	0	0	0	113.7	M432 V435 L439	M432-P437 WeakPolarHBondContact O-CA 3.39Å; V435-P437 VanDerWaalsContact C-CD 3.49Å; P437-L439 VanDerWaalsContact C-N 3.33Å
438	E	92.8	Very high	86	Confident	72 Å²	72	70.8 Å²	70.8	34%	0.336	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.3	179.4	-52.9	84.4	175	0	0	113	R274 P289 Q292 Y436 R440	R274-E438 IonicContact CZ-OE2 3.53Å; R274-E438 IonicContact NH1-OE1 2.99Å; R274-E438 IonicContact NH1-OE2 2.81Å; R274-E438 IonicContact NH2-OE1 3.75Å; R274-E438 IonicContact NH2-OE2 3.43Å; R274-E438 PolarHBondContact NH2-OE2 2.65Å; P289-E438 HydrophobicContact CG-CG 3.96Å; P289-E438 VanDerWaalsContact CG-OE1 3.31Å; P289-E438 WeakPolarHBondContact CG-OE1 3.44Å; Q292-E438 PolarHBondContact NE2-OE1 3.37Å; Y436-E438 HydrophobicContact CE2-CB 4.49Å; Y436-E438 PolarHBondContact O-N 3.1Å; E438-R440 PolarHBondContact O-N 3.2Å
439	L	93.4	Very high	85.5	Confident	13 Å²	13	70.8 Å²	70.8	7%	0.068	35%	0.349	C	S	.	.	S	Bend	trans	-72.2	96	172.8	178.7	59.7	0	0	0	109.4	F277 W279 M432 Y436 P437 V441	F277-L439 HydrophobicContact CD2-CD2 4.14Å; F277-L439 HydrophobicContact CE1-CD2 4.48Å; F277-L439 HydrophobicContact CE2-CD2 3.54Å; F277-L439 HydrophobicContact CZ-CD2 3.74Å; F277-L439 WeakPolarHBondContact O-CD1 3.44Å; W279-L439 HydrophobicContact CD2-CD2 4.5Å; W279-L439 HydrophobicContact CH2-CD2 4.17Å; W279-L439 HydrophobicContact CZ2-CD2 3.88Å; W279-L439 HydrophobicContact CZ2-CG 3.82Å; M432-L439 HydrophobicContact CE-CB 3.8Å; M432-L439 HydrophobicContact CE-CD2 3.92Å; M432-L439 HydrophobicContact CE-CG 3.88Å; M432-L439 WeakPolarHBondContact CE-O 3.21Å; M432-L439 HydrophobicContact SD-CD2 4.12Å; Y436-L439 HydrophobicContact CD1-CB 3.64Å; Y436-L439 HydrophobicContact CD1-CD2 3.87Å; Y436-L439 HydrophobicContact CD1-CG 4.36Å; Y436-L439 HydrophobicContact CD2-CB 4.08Å; Y436-L439 HydrophobicContact CE1-CB 3.69Å; Y436-L439 HydrophobicContact CE1-CD2 3.88Å; Y436-L439 HydrophobicContact CE1-CG 4.22Å; Y436-L439 HydrophobicContact CE2-CB 4.12Å; Y436-L439 HydrophobicContact CG-CB 3.86Å; Y436-L439 PolarHBondContact O-N 3.3Å; P437-L439 VanDerWaalsContact C-N 3.33Å; L439-V441 PolarHBondContact O-N 2.7Å; L439-V441 VanDerWaalsContact O-N 3.16Å
440	R	86.8	Confident	85.4	Confident	218 Å²	218	64.3 Å²	64.3	82%	0.823	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-62.3	119.3	177.3	-66.1	-171	-179.4	-177.6	0.1	110	W279 E438	W279-R440 PolarHBondContact NE1-O 3.32Å; E438-R440 PolarHBondContact O-N 3.2Å
441	V	82.4	Confident	85.1	Confident	54 Å²	54	60.7 Å²	60.7	33%	0.327	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-61.4	128.8	165.4	-177.1	0	0	0	0	107.1	W279 Y394 Y397 M432 L439 E443	W279-V441 HydrophobicContact CH2-CG2 4.23Å; W279-V441 HydrophobicContact CZ2-CB 4.21Å; W279-V441 HydrophobicContact CZ2-CG2 3.8Å; Y394-V441 HydrophobicContact CD1-CG2 4.35Å; Y394-V441 HydrophobicContact CE1-CG2 3.89Å; Y397-V441 HydrophobicContact CD1-CG1 4.38Å; Y397-V441 HydrophobicContact CD2-CG1 4.1Å; Y397-V441 HydrophobicContact CE1-CG1 3.74Å; Y397-V441 HydrophobicContact CE2-CG1 3.45Å; Y397-V441 VanDerWaalsContact CE2-CG1 3.45Å; Y397-V441 WeakPolarHBondContact OH-CG1 3.39Å; M432-V441 HydrophobicContact CE-CG2 4.28Å; L439-V441 PolarHBondContact O-N 2.7Å; L439-V441 VanDerWaalsContact O-N 3.16Å; V441-E443 PolarHBondContact O-N 3.01Å; V441-E443 VanDerWaalsContact O-N 3.17Å
442	P	75.3	Confident	84.8	Confident	59 Å²	59	62.9 Å²	62.9	38%	0.383	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-59.9	126.1	178	-17.3	33.6	0	0	0	107.1	W279 Y397 Q444	W279-P442 HydrophobicContact CG-CG 4.15Å; Y397-P442 HydrophobicContact CD1-CG 4.08Å; P442-Q444 PolarHBondContact O-N 2.82Å; P442-Q444 VanDerWaalsContact O-N 3.13Å
443	E	61.5	Low	84.6	Confident	162 Å²	162	63.9 Å²	63.9	76%	0.757	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-55.6	123.5	165.4	-68.1	-177.7	-173.8	0	0	105.7	V441 E445	V441-E443 PolarHBondContact O-N 3.01Å; V441-E443 VanDerWaalsContact O-N 3.17Å; E443-E445 PolarHBondContact O-N 3.31Å; E443-E445 VanDerWaalsContact O-N 3.09Å
444	Q	58.1	Low	84.2	Confident	62 Å²	62	61.2 Å²	61.2	29%	0.29	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-54.1	124.8	169.2	-71.4	-174.1	-1.8	0	0	106.2	P442 A446 V487	P442-Q444 PolarHBondContact O-N 2.82Å; P442-Q444 VanDerWaalsContact O-N 3.13Å; Q444-A446 PolarHBondContact O-N 2.87Å; Q444-V487 HydrophobicContact CB-CG1 4.47Å
445	E	58.3	Low	83.8	Confident	176 Å²	176	59.7 Å²	59.7	82%	0.822	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-50.2	122.3	-179.5	-75.7	-173.3	165.2	0	0	108.2	E443 V447	E443-E445 PolarHBondContact O-N 3.31Å; E443-E445 VanDerWaalsContact O-N 3.09Å; E445-V447 WeakPolarHBondContact O-CG2 3.35Å; E445-V447 PolarHBondContact O-N 2.93Å
446	A	68.4	Low	83.5	Confident	42 Å²	42	61.3 Å²	61.3	35%	0.347	34%	0.339	S	S	.	.			trans	-60.5	105.3	179.4	0	0	0	0	0	108.7	Q444 S448 E485 V487	Q444-A446 PolarHBondContact O-N 2.87Å; A446-S448 PolarHBondContact O-N 3.19Å; A446-S448 VanDerWaalsContact O-N 3.08Å; A446-E485 HydrophobicContact CB-CB 4.06Å; A446-E485 HydrophobicContact CB-CG 4.05Å; A446-V487 HydrophobicContact CB-CG2 3.43Å; A446-V487 VanDerWaalsContact CB-CG2 3.43Å
447	V	78.7	Confident	83.2	Confident	64 Å²	64	61.2 Å²	61.2	39%	0.388	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	100.5	177.2	-172.4	0	0	0	0	107	E445 S449 L486 V566	E445-V447 WeakPolarHBondContact O-CG2 3.35Å; E445-V447 PolarHBondContact O-N 2.93Å; V447-S449 WeakPolarHBondContact CG1-OG 3.36Å; V447-S449 PolarHBondContact O-N 2.67Å; V447-S449 VanDerWaalsContact O-N 3.14Å; V447-S449 PolarHBondContact O-OG 2.77Å; V447-L486 HydrophobicContact CB-CB 4.48Å; V447-L486 PolarHBondContact N-O 2.76Å; V447-L486 PolarHBondContact O-N 3.03Å; V447-L486 VanDerWaalsContact O-N 3.1Å; V447-V566 HydrophobicContact CG1-CB 4.39Å; V447-V566 HydrophobicContact CG1-CG1 3.88Å; V447-V566 HydrophobicContact CG1-CG2 3.76Å
448	S	85.2	Confident	83.2	Confident	42 Å²	42	57.5 Å²	57.5	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	114.3	172.2	177.1	0	0	0	0	108.9	A446 W484 I567	A446-S448 PolarHBondContact O-N 3.19Å; A446-S448 VanDerWaalsContact O-N 3.08Å; S448-W484 CarbonylContact C-O 3.58Å; S448-W484 WeakPolarHBondContact CA-O 3.39Å; S448-I567 PolarHBondContact O-N 3.4Å
449	S	88.8	Confident	83.2	Confident	1 Å²	1	55 Å²	55	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	164.8	-172.5	-59.4	0	0	0	0	111.4	V447 W484 Q565	V447-S449 WeakPolarHBondContact CG1-OG 3.36Å; V447-S449 PolarHBondContact O-N 2.67Å; V447-S449 VanDerWaalsContact O-N 3.14Å; V447-S449 PolarHBondContact O-OG 2.77Å; S449-W484 PolarHBondContact N-O 3.18Å; S449-W484 PolarHBondContact O-N 3.25Å; S449-Q565 CarbonylContact C-O 3.57Å; S449-Q565 VanDerWaalsContact CA-O 3.28Å; S449-Q565 WeakPolarHBondContact CA-O 3.46Å
450	V	91.7	Very high	83.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.5	164	-174.7	0	0	0	0	108.1	K452 C457 R478 P564 Q565 I567	V450-K452 HydrophobicContact CG1-CG 4.2Å; V450-C457 HydrophobicContact CG1-CB 4.07Å; V450-C457 WeakPolarHBondContact CG1-SG 3.15Å; V450-R478 VanDerWaalsContact CG2-CD 3.4Å; V450-P564 CarbonylContact O-C 3.47Å; V450-P564 WeakPolarHBondContact O-CA 3.45Å; V450-Q565 PolarHBondContact N-O 3.25Å; V450-Q565 PolarHBondContact O-N 3.18Å; V450-I567 HydrophobicContact CG2-CD1 3.8Å; V450-I567 HydrophobicContact CG2-CG1 3.99Å
451	L	92.8	Very high	83	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	105.9	176.7	-67.8	174.1	0	0	0	109.4	C457 L458 W484 L486 I491 L530 W562 P564	L451-C457 WeakPolarHBondContact O-CA 3.41Å; L451-L458 HydrophobicContact CB-CB 3.94Å; L451-L458 HydrophobicContact CB-CD2 4.32Å; L451-L458 HydrophobicContact CD1-CD2 3.7Å; L451-L458 PolarHBondContact O-N 2.98Å; L451-W484 HydrophobicContact CD1-CB 4.39Å; L451-W484 HydrophobicContact CD1-CG 4.16Å; L451-W484 HydrophobicContact CG-CB 4.49Å; L451-W484 HydrophobicContact CG-CG 4.38Å; L451-L486 HydrophobicContact CD1-CD2 4.29Å; L451-L486 HydrophobicContact CD2-CD1 4.37Å; L451-L486 HydrophobicContact CD2-CD2 4.25Å; L451-I491 HydrophobicContact CD1-CG2 4.05Å; L451-L530 HydrophobicContact CD1-CD1 3.95Å; L451-L530 HydrophobicContact CD2-CD1 4.21Å; L451-W562 HydrophobicContact CB-CE3 4.2Å; L451-P564 HydrophobicContact CD2-CB 4.07Å
452	K	92.1	Very high	82.5	Confident	47 Å²	47	52.4 Å²	52.4	20%	0.204	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	152.3	-177.6	-65	-173.5	176.6	-179.9	0	112.8	V450 M456 W562 E563	V450-K452 HydrophobicContact CG1-CG 4.2Å; K452-M456 CarbonylContact C-O 3.51Å; K452-M456 VanDerWaalsContact CA-O 3.31Å; K452-M456 WeakPolarHBondContact CA-O 3.18Å; K452-W562 CarbonylContact O-C 3.52Å; K452-W562 VanDerWaalsContact O-CA 3.31Å; K452-W562 WeakPolarHBondContact O-CA 3.23Å; K452-E563 HydrophobicContact CB-CB 4.17Å; K452-E563 WeakPolarHBondContact CB-O 3.31Å; K452-E563 PolarHBondContact N-O 3.39Å; K452-E563 PolarHBondContact O-N 3.19Å
453	Q	91.5	Very high	81.8	Confident	33 Å²	33	60.1 Å²	60.1	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	91.3	165.7	-169.9	177.9	-68.6	0	0	107.2	G455 M456 L468 S541 A558 G559 W562	Q453-G455 PolarHBondContact O-N 3.27Å; Q453-M456 PolarHBondContact N-O 2.78Å; Q453-M456 PolarHBondContact O-N 3.18Å; Q453-L468 HydrophobicContact CB-CD2 4.38Å; Q453-S541 PolarHBondContact NE2-OG 3.08Å; Q453-A558 VanDerWaalsContact CD-O 3.3Å; Q453-A558 WeakPolarHBondContact CG-O 3.28Å; Q453-G559 PolarHBondContact OE1-O 3.45Å; Q453-G559 VanDerWaalsContact OE1-O 3.09Å; Q453-W562 HydrophobicContact CB-CE3 4.46Å; Q453-W562 HydrophobicContact CB-CZ3 4.42Å
454	G	86.3	Confident	81.8	Confident	51 Å²	51	58.1 Å²	58.1	53%	0.526	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	-126	-168.3	0	0	0	0	0	112.1	M456	G454-M456 VanDerWaalsContact C-N 3.27Å; G454-M456 PolarHBondContact O-N 2.9Å
455	G	86.9	Confident	82.6	Confident	62 Å²	62	56.5 Å²	56.5	64%	0.639	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.6	177	0	0	0	0	0	115.2	Q453 C471	Q453-G455 PolarHBondContact O-N 3.27Å; G455-C471 PolarHBondContact O-N 3.02Å; G455-C471 PolarHBondContact O-SG 2.84Å
456	M	91.4	Very high	84.1	Confident	49 Å²	49	49 Å²	49	24%	0.241	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	151	-176	-56.6	-61.5	-77.2	0	0	111.3	K452 Q453 G454 L468 A469 E470 C471	K452-M456 CarbonylContact C-O 3.51Å; K452-M456 VanDerWaalsContact CA-O 3.31Å; K452-M456 WeakPolarHBondContact CA-O 3.18Å; Q453-M456 PolarHBondContact N-O 2.78Å; Q453-M456 PolarHBondContact O-N 3.18Å; G454-M456 VanDerWaalsContact C-N 3.27Å; G454-M456 PolarHBondContact O-N 2.9Å; M456-L468 HydrophobicContact CB-CB 4.19Å; M456-L468 HydrophobicContact CB-CD2 4.2Å; M456-L468 HydrophobicContact CE-CB 4.25Å; M456-A469 CarbonylContact C-O 3.49Å; M456-A469 WeakPolarHBondContact CA-O 3.5Å; M456-A469 VanDerWaalsContact CE-C 3.4Å; M456-E470 HydrophobicContact SD-CG 4.21Å; M456-C471 PolarHBondContact O-SG 2.82Å
457	C	92.7	Very high	85.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.9	-178.4	-81.4	0	0	0	0	110.3	V450 L451 E459 L468 A469 C471 Q482	V450-C457 HydrophobicContact CG1-CB 4.07Å; V450-C457 WeakPolarHBondContact CG1-SG 3.15Å; L451-C457 WeakPolarHBondContact O-CA 3.41Å; C457-E459 PolarHBondContact O-N 2.96Å; C457-L468 WeakPolarHBondContact O-CA 3.5Å; C457-A469 PolarHBondContact N-O 2.62Å; C457-A469 PolarHBondContact O-N 3.44Å; C457-C471 HydrophobicContact CB-CB 4.07Å; C457-C471 WeakPolarHBondContact CB-SG 3.31Å; C457-C471 PolarHBondContact N-SG 3.21Å; C457-C471 WeakPolarHBondContact SG-CA 3.38Å; C457-C471 WeakPolarHBondContact SG-CB 3.18Å; C457-C471 CovalentContact SG-SG 2.03Å; C457-C471 PolarHBondContact SG-SG 2.82Å; C457-Q482 HydrophobicContact CB-CG 4.42Å
458	L	93.1	Very high	85.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124	168.6	-174.9	64.4	0	0	0	109.8	L451 L466 W484 L498 L548 W562	L451-L458 HydrophobicContact CB-CB 3.94Å; L451-L458 HydrophobicContact CB-CD2 4.32Å; L451-L458 HydrophobicContact CD1-CD2 3.7Å; L451-L458 PolarHBondContact O-N 2.98Å; L458-L466 HydrophobicContact CD1-CD1 3.82Å; L458-L466 HydrophobicContact CD1-CD2 4.21Å; L458-L466 HydrophobicContact CD1-CG 3.88Å; L458-L466 HydrophobicContact CG-CD1 4.15Å; L458-W484 HydrophobicContact CB-CZ2 4.33Å; L458-W484 HydrophobicContact CD2-CD2 4.04Å; L458-W484 HydrophobicContact CD2-CE3 4.48Å; L458-W484 HydrophobicContact CD2-CH2 3.98Å; L458-W484 HydrophobicContact CD2-CZ2 3.52Å; L458-W484 HydrophobicContact CD2-CZ3 4.43Å; L458-W484 HydrophobicContact CG-CH2 4.26Å; L458-W484 HydrophobicContact CG-CZ2 3.46Å; L458-W484 VanDerWaalsContact CG-CZ2 3.46Å; L458-W484 PolarHBondContact O-NE1 2.96Å; L458-L498 HydrophobicContact CD2-CD1 4.34Å; L458-L548 HydrophobicContact CD1-CD1 3.15Å; L458-L548 HydrophobicContact CD1-CG 4.47Å; L458-W562 HydrophobicContact CB-CZ3 3.98Å; L458-W562 HydrophobicContact CD1-CH2 4.19Å; L458-W562 HydrophobicContact CD1-CZ3 4.3Å
459	E	92	Very high	86	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.093	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136.5	-175.9	-174.6	168.9	-96	0	0	112.6	C457 G467 A469 R472 S481 Q482	C457-E459 PolarHBondContact O-N 2.96Å; E459-G467 PolarHBondContact N-O 3.11Å; E459-G467 PolarHBondContact O-N 3.1Å; E459-A469 HydrophobicContact CB-CB 3.78Å; E459-A469 HydrophobicContact CG-CB 4.23Å; E459-A469 WeakPolarHBondContact OE2-CB 3.38Å; E459-R472 IonicContact OE1-CZ 3.58Å; E459-R472 IonicContact OE1-NE 2.91Å; E459-R472 IonicContact OE1-NH2 2.66Å; E459-R472 PolarHBondContact OE1-NH2 2.8Å; E459-R472 IonicContact OE2-NH2 3.92Å; E459-R472 PolarHBondContact OE2-NH2 3.14Å; E459-S481 WeakPolarHBondContact CA-O 3.24Å; E459-S481 PolarHBondContact OE1-OG 3.08Å; E459-Q482 HydrophobicContact CB-CG 4.03Å; E459-Q482 HydrophobicContact CG-CG 3.98Å; E459-Q482 VanDerWaalsContact OE1-CG 3.25Å; E459-Q482 WeakPolarHBondContact OE1-CG 3.29Å; E459-Q482 PolarHBondContact OE1-NE2 2.86Å
460	T	90.4	Very high	86.1	Confident	23 Å²	23	49.7 Å²	49.7	14%	0.141	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.3	168.2	45.8	0	0	0	0	111.5	G465 L466 S481 W484 Q493 M511	T460-G465 WeakPolarHBondContact CA-O 3.24Å; T460-L466 HydrophobicContact CG2-CD1 4.07Å; T460-S481 PolarHBondContact N-O 3.15Å; T460-S481 WeakPolarHBondContact OG1-CA 3.37Å; T460-S481 PolarHBondContact OG1-O 3.05Å; T460-W484 HydrophobicContact CG2-CH2 3.69Å; T460-W484 HydrophobicContact CG2-CZ2 4.01Å; T460-Q493 PolarHBondContact OG1-NE2 3.05Å; T460-Q493 PolarHBondContact OG1-OE1 2.79Å; T460-M511 HydrophobicContact CG2-CE 4.46Å; T460-M511 HydrophobicContact CG2-CG 3.96Å; T460-M511 HydrophobicContact CG2-SD 4.2Å
461	R	84.6	Confident	86	Confident	135 Å²	135	51.6 Å²	51.6	51%	0.509	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	93.5	179.9	-61.8	-177	-178	-176	2.5	109.6	G465 L468	R461-G465 PolarHBondContact N-O 2.91Å; R461-G465 VanDerWaalsContact O-CA 3.22Å; R461-G465 WeakPolarHBondContact O-CA 3.27Å; R461-G465 PolarHBondContact O-N 3.11Å; R461-L468 PolarHBondContact NH2-O 2.49Å
462	G	72.3	Confident	85.8	Confident	71 Å²	71	57.5 Å²	57.5	73%	0.732	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-155.8	-175.4	0	0	0	0	0	112.7
463	R	60.8	Low	85.2	Confident	222 Å²	222	57.5 Å²	57.5	84%	0.838	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-37.3	-175.9	-76.7	-170.8	179	-146.1	0.2	114.1
464	D	62.2	Low	84.3	Confident	119 Å²	119	59.1 Å²	59.1	64%	0.636	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	-6.7	-171.9	-57.9	-38.1	0	0	0	114.1
465	G	74.8	Confident	83.5	Confident	28 Å²	28	58.2 Å²	58.2	29%	0.289	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135	-176	0	0	0	0	0	112.2	T460 R461	T460-G465 WeakPolarHBondContact CA-O 3.24Å; R461-G465 PolarHBondContact N-O 2.91Å; R461-G465 VanDerWaalsContact O-CA 3.22Å; R461-G465 WeakPolarHBondContact O-CA 3.27Å; R461-G465 PolarHBondContact O-N 3.11Å
466	L	89.1	Confident	82.4	Confident	18 Å²	18	60.7 Å²	60.7	9%	0.094	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	136.4	176.6	-170.4	73.4	0	0	0	109.1	L458 T460 W484 L498 V509 M511 L548	L458-L466 HydrophobicContact CD1-CD1 3.82Å; L458-L466 HydrophobicContact CD1-CD2 4.21Å; L458-L466 HydrophobicContact CD1-CG 3.88Å; L458-L466 HydrophobicContact CG-CD1 4.15Å; T460-L466 HydrophobicContact CG2-CD1 4.07Å; L466-W484 HydrophobicContact CD1-CH2 3.58Å; L466-W484 HydrophobicContact CD1-CZ2 3.85Å; L466-L498 HydrophobicContact CD2-CD2 3.38Å; L466-V509 HydrophobicContact CD2-CB 4.33Å; L466-V509 HydrophobicContact CD2-CG1 4.12Å; L466-M511 HydrophobicContact CD1-SD 4.39Å; L466-L548 HydrophobicContact CD2-CB 4.31Å; L466-L548 HydrophobicContact CD2-CD1 3.75Å; L466-L548 HydrophobicContact CD2-CG 4.32Å; L466-L548 HydrophobicContact CG-CD1 3.93Å; L466-L548 HydrophobicContact CG-CG 4.39Å
467	G	90.1	Very high	81.6	Confident	4 Å²	4	65 Å²	65	4%	0.041	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-172.3	178.1	0	0	0	0	0	113.1	E459	E459-G467 PolarHBondContact N-O 3.11Å; E459-G467 PolarHBondContact O-N 3.1Å
468	L	91.7	Very high	81.1	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.8	174.8	-70.2	174.7	0	0	0	110.7	Q453 M456 C457 R461 W562	Q453-L468 HydrophobicContact CB-CD2 4.38Å; M456-L468 HydrophobicContact CB-CB 4.19Å; M456-L468 HydrophobicContact CB-CD2 4.2Å; M456-L468 HydrophobicContact CE-CB 4.25Å; C457-L468 WeakPolarHBondContact O-CA 3.5Å; R461-L468 PolarHBondContact NH2-O 2.49Å; L468-W562 HydrophobicContact CD2-CH2 3.89Å; L468-W562 HydrophobicContact CD2-CZ3 3.89Å
469	A	90.3	Very high	80.8	Confident	12 Å²	12	68 Å²	68	10%	0.099	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	163.4	172	0	0	0	0	0	110.1	M456 C457 E459 C471	M456-A469 CarbonylContact C-O 3.49Å; M456-A469 WeakPolarHBondContact CA-O 3.5Å; M456-A469 VanDerWaalsContact CE-C 3.4Å; C457-A469 PolarHBondContact N-O 2.62Å; C457-A469 PolarHBondContact O-N 3.44Å; E459-A469 HydrophobicContact CB-CB 3.78Å; E459-A469 HydrophobicContact CG-CB 4.23Å; E459-A469 WeakPolarHBondContact OE2-CB 3.38Å; A469-C471 PolarHBondContact O-N 2.88Å
470	E	91.3	Very high	80.6	Confident	145 Å²	145	72.3 Å²	72.3	68%	0.678	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	136.9	173.7	-69.2	-174.7	167	0	0	110.5	M456 R472 Q482	M456-E470 HydrophobicContact SD-CG 4.21Å; E470-R472 PolarHBondContact O-N 3.36Å; E470-Q482 PolarHBondContact O-NE2 3.14Å
471	C	89.3	Confident	80.5	Confident	39 Å²	39	72.5 Å²	72.5	26%	0.264	41%	0.406	S	S	.	.			trans	-67.5	117.6	178.3	-69.2	0	0	0	0	111.3	G455 M456 C457 A469	G455-C471 PolarHBondContact O-N 3.02Å; G455-C471 PolarHBondContact O-SG 2.84Å; M456-C471 PolarHBondContact O-SG 2.82Å; C457-C471 HydrophobicContact CB-CB 4.07Å; C457-C471 WeakPolarHBondContact CB-SG 3.31Å; C457-C471 PolarHBondContact N-SG 3.21Å; C457-C471 WeakPolarHBondContact SG-CA 3.38Å; C457-C471 WeakPolarHBondContact SG-CB 3.18Å; C457-C471 CovalentContact SG-SG 2.03Å; C457-C471 PolarHBondContact SG-SG 2.82Å; A469-C471 PolarHBondContact O-N 2.88Å
472	R	88.4	Confident	80.9	Confident	125 Å²	125	66.1 Å²	66.1	47%	0.472	38%	0.382	S	S	.	.			trans	-112.2	144.5	-174.5	-69.6	179.8	-67.3	175.2	-2.7	113.1	E459 E470 R478 P479	E459-R472 IonicContact OE1-CZ 3.58Å; E459-R472 IonicContact OE1-NE 2.91Å; E459-R472 IonicContact OE1-NH2 2.66Å; E459-R472 PolarHBondContact OE1-NH2 2.8Å; E459-R472 IonicContact OE2-NH2 3.92Å; E459-R472 PolarHBondContact OE2-NH2 3.14Å; E470-R472 PolarHBondContact O-N 3.36Å; R472-R478 PolarHBondContact O-NH1 3.29Å; R472-R478 VanDerWaalsContact O-NH1 3.09Å; R472-P479 HydrophobicContact CB-CG 4.13Å; R472-P479 WeakPolarHBondContact O-CD 3.31Å
473	G	79.8	Confident	81.8	Confident	48 Å²	48	64.2 Å²	64.2	50%	0.495	35%	0.354	S	S	.	.			trans	70.6	-178.3	175.2	0	0	0	0	0	115.2	R478	G473-R478 VanDerWaalsContact O-CZ 3.25Å; G473-R478 PolarHBondContact O-NH1 2.97Å
474	A	73.1	Confident	83.2	Confident	67 Å²	67	53.6 Å²	53.6	55%	0.554	31%	0.314	S	S	*	.			trans	-143.9	147.6	173.9	0	0	0	0	0	110	T476 N477	A474-T476 PolarHBondContact O-N 3.17Å; A474-N477 PolarHBondContact O-N 3.23Å
475	G	68.4	Low	84.6	Confident	31 Å²	31	51 Å²	51	32%	0.32	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	53.9	-129.8	-179.1	0	0	0	0	0	113.5	N477 R478	G475-N477 VanDerWaalsContact C-N 3.29Å; G475-N477 PolarHBondContact O-N 3.1Å; G475-R478 WeakPolarHBondContact O-CG 3.47Å; G475-R478 PolarHBondContact O-N 3.12Å
476	T	63.9	Low	85.2	Confident	115 Å²	115	51.5 Å²	51.5	71%	0.706	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-66.6	-26.1	-179.8	52.9	0	0	0	0	113.8	A474 R478 K483	A474-T476 PolarHBondContact O-N 3.17Å; T476-R478 PolarHBondContact O-N 2.89Å; T476-K483 PolarHBondContact O-NZ 3.1Å
477	N	74.7	Confident	85	Confident	139 Å²	139	51.5 Å²	51.5	74%	0.743	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-75.6	2.9	-178.6	-70.3	-17.9	0	0	0	114.2	A474 G475	A474-N477 PolarHBondContact O-N 3.23Å; G475-N477 VanDerWaalsContact C-N 3.29Å; G475-N477 PolarHBondContact O-N 3.1Å
478	R	82.3	Confident	84.5	Confident	26 Å²	26	55.1 Å²	55.1	10%	0.098	31%	0.31	C	S	.	.	S	Bend	trans	-69.8	141.7	174.4	-66.9	-171.5	178.4	-72.1	-1	111.6	V450 R472 G473 G475 T476 K483	V450-R478 VanDerWaalsContact CG2-CD 3.4Å; R472-R478 PolarHBondContact O-NH1 3.29Å; R472-R478 VanDerWaalsContact O-NH1 3.09Å; G473-R478 VanDerWaalsContact O-CZ 3.25Å; G473-R478 PolarHBondContact O-NH1 2.97Å; G475-R478 WeakPolarHBondContact O-CG 3.47Å; G475-R478 PolarHBondContact O-N 3.12Å; T476-R478 PolarHBondContact O-N 2.89Å; R478-K483 HydrophobicContact CB-CG 4.32Å; R478-K483 WeakPolarHBondContact O-CE 3.4Å; R478-K483 PolarHBondContact O-NZ 2.97Å
479	P	87.2	Confident	84.2	Confident	36 Å²	36	57 Å²	57	23%	0.234	32%	0.322	C	S	.	.			trans	-64.2	141.1	175.5	27.9	-33.5	0	0	0	110.4	R472 S481 Q482	R472-P479 HydrophobicContact CB-CG 4.13Å; R472-P479 WeakPolarHBondContact O-CD 3.31Å; P479-S481 PolarHBondContact O-N 3.16Å; P479-S481 VanDerWaalsContact O-N 3.15Å; P479-Q482 HydrophobicContact CG-CB 4.24Å; P479-Q482 HydrophobicContact CG-CG 4Å; P479-Q482 PolarHBondContact O-N 3.17Å
480	Q	87.3	Confident	84.2	Confident	111 Å²	111	57.4 Å²	57.4	52%	0.519	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.9	-179.9	-69.7	-63.9	-19.4	0	0	112.3	Q482 K483 Q493	Q480-Q482 PolarHBondContact O-N 2.82Å; Q480-Q482 VanDerWaalsContact O-N 3.16Å; Q480-K483 PolarHBondContact O-N 3.15Å; Q480-K483 VanDerWaalsContact O-N 3.15Å; Q480-Q493 VanDerWaalsContact O-CD 3.32Å; Q480-Q493 PolarHBondContact O-NE2 3.34Å
481	S	89.8	Confident	84.3	Confident	28 Å²	28	50.9 Å²	50.9	20%	0.196	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-62.5	-17	177.3	57.9	0	0	0	0	115	E459 T460 P479	E459-S481 WeakPolarHBondContact CA-O 3.24Å; E459-S481 PolarHBondContact OE1-OG 3.08Å; T460-S481 PolarHBondContact N-O 3.15Å; T460-S481 WeakPolarHBondContact OG1-CA 3.37Å; T460-S481 PolarHBondContact OG1-O 3.05Å; P479-S481 PolarHBondContact O-N 3.16Å; P479-S481 VanDerWaalsContact O-N 3.15Å
482	Q	91.5	Very high	84.4	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-112.2	2.3	178.5	-62.2	-173.7	-7.6	0	0	113	C457 E459 E470 P479 Q480	C457-Q482 HydrophobicContact CB-CG 4.42Å; E459-Q482 HydrophobicContact CB-CG 4.03Å; E459-Q482 HydrophobicContact CG-CG 3.98Å; E459-Q482 VanDerWaalsContact OE1-CG 3.25Å; E459-Q482 WeakPolarHBondContact OE1-CG 3.29Å; E459-Q482 PolarHBondContact OE1-NE2 2.86Å; E470-Q482 PolarHBondContact O-NE2 3.14Å; P479-Q482 HydrophobicContact CG-CB 4.24Å; P479-Q482 HydrophobicContact CG-CG 4Å; P479-Q482 PolarHBondContact O-N 3.17Å; Q480-Q482 PolarHBondContact O-N 2.82Å; Q480-Q482 VanDerWaalsContact O-N 3.16Å
483	K	91.1	Very high	84.5	Confident	31 Å²	31	47.4 Å²	47.4	14%	0.135	28%	0.275	C	S	.	.			trans	-93.8	125.7	177.8	-67.5	-174.7	179.8	167	0	109.3	T476 R478 Q480 Q493 I567	T476-K483 PolarHBondContact O-NZ 3.1Å; R478-K483 HydrophobicContact CB-CG 4.32Å; R478-K483 WeakPolarHBondContact O-CE 3.4Å; R478-K483 PolarHBondContact O-NZ 2.97Å; Q480-K483 PolarHBondContact O-N 3.15Å; Q480-K483 VanDerWaalsContact O-N 3.15Å; K483-Q493 WeakPolarHBondContact O-CG 3.19Å; K483-I567 HydrophobicContact CB-CD1 4.39Å; K483-I567 HydrophobicContact CD-CD1 4.23Å; K483-I567 HydrophobicContact CG-CD1 3.74Å
484	W	91.2	Very high	84.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.2	-177.6	-63.2	92.2	0	0	0	110	S448 S449 L451 L458 T460 L466 I491 Q493 L498 M511	S448-W484 CarbonylContact C-O 3.58Å; S448-W484 WeakPolarHBondContact CA-O 3.39Å; S449-W484 PolarHBondContact N-O 3.18Å; S449-W484 PolarHBondContact O-N 3.25Å; L451-W484 HydrophobicContact CD1-CB 4.39Å; L451-W484 HydrophobicContact CD1-CG 4.16Å; L451-W484 HydrophobicContact CG-CB 4.49Å; L451-W484 HydrophobicContact CG-CG 4.38Å; L458-W484 HydrophobicContact CB-CZ2 4.33Å; L458-W484 HydrophobicContact CD2-CD2 4.04Å; L458-W484 HydrophobicContact CD2-CE3 4.48Å; L458-W484 HydrophobicContact CD2-CH2 3.98Å; L458-W484 HydrophobicContact CD2-CZ2 3.52Å; L458-W484 HydrophobicContact CD2-CZ3 4.43Å; L458-W484 HydrophobicContact CG-CH2 4.26Å; L458-W484 HydrophobicContact CG-CZ2 3.46Å; L458-W484 VanDerWaalsContact CG-CZ2 3.46Å; L458-W484 PolarHBondContact O-NE1 2.96Å; T460-W484 HydrophobicContact CG2-CH2 3.69Å; T460-W484 HydrophobicContact CG2-CZ2 4.01Å; L466-W484 HydrophobicContact CD1-CH2 3.58Å; L466-W484 HydrophobicContact CD1-CZ2 3.85Å; W484-I491 HydrophobicContact CB-CG2 4.48Å; W484-I491 HydrophobicContact CD2-CG2 4.49Å; W484-I491 HydrophobicContact CE3-CG2 3.86Å; W484-Q493 HydrophobicContact CE3-CB 4.35Å; W484-Q493 HydrophobicContact CZ3-CB 4.3Å; W484-L498 HydrophobicContact CE3-CD1 3.82Å; W484-L498 HydrophobicContact CH2-CD1 4.16Å; W484-L498 HydrophobicContact CH2-CG 4.46Å; W484-L498 HydrophobicContact CZ3-CD1 3.46Å; W484-L498 VanDerWaalsContact CZ3-CD1 3.46Å; W484-L498 HydrophobicContact CZ3-CG 3.99Å; W484-M511 HydrophobicContact CH2-CE 4.16Å; W484-M511 HydrophobicContact CH2-SD 3.84Å; W484-M511 HydrophobicContact CZ3-CE 3.8Å; W484-M511 HydrophobicContact CZ3-SD 3.9Å
485	E	90.5	Very high	85.5	Confident	63 Å²	63	54.2 Å²	54.2	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	113	169.2	-73.6	179	-162.1	0	0	108.7	A446 V487 R492	A446-E485 HydrophobicContact CB-CB 4.06Å; A446-E485 HydrophobicContact CB-CG 4.05Å; E485-V487 HydrophobicContact CB-CG2 4.46Å; E485-R492 HydrophobicContact CB-CG 3.76Å; E485-R492 PolarHBondContact N-O 2.9Å; E485-R492 PolarHBondContact O-N 2.77Å; E485-R492 IonicContact OE2-CZ 3.66Å; E485-R492 VanDerWaalsContact OE2-CZ 3.26Å; E485-R492 IonicContact OE2-NE 3.85Å; E485-R492 PolarHBondContact OE2-NE 2.92Å; E485-R492 IonicContact OE2-NH2 2.7Å; E485-R492 PolarHBondContact OE2-NH2 2.89Å
486	L	88.4	Confident	86.6	Confident	40 Å²	40	55.7 Å²	55.7	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.8	173.6	-52.9	-177.2	0	0	0	108.3	V447 L451 I491 P564	V447-L486 HydrophobicContact CB-CB 4.48Å; V447-L486 PolarHBondContact N-O 2.76Å; V447-L486 PolarHBondContact O-N 3.03Å; V447-L486 VanDerWaalsContact O-N 3.1Å; L451-L486 HydrophobicContact CD1-CD2 4.29Å; L451-L486 HydrophobicContact CD2-CD1 4.37Å; L451-L486 HydrophobicContact CD2-CD2 4.25Å; L486-I491 HydrophobicContact CD2-CB 4.39Å; L486-I491 HydrophobicContact CD2-CG1 4.04Å; L486-I491 HydrophobicContact CD2-CG2 3.74Å; L486-P564 HydrophobicContact CD1-CB 4.03Å
487	V	83.9	Confident	88	Confident	17 Å²	17	50.2 Å²	50.2	10%	0.103	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	83.6	-179.9	-179.2	0	0	0	0	107.2	Q444 A446 E485 L490	Q444-V487 HydrophobicContact CB-CG1 4.47Å; A446-V487 HydrophobicContact CB-CG2 3.43Å; A446-V487 VanDerWaalsContact CB-CG2 3.43Å; E485-V487 HydrophobicContact CB-CG2 4.46Å; V487-L490 CarbonylContact C-O 3.17Å; V487-L490 VanDerWaalsContact C-O 3.24Å; V487-L490 PolarHBondContact N-O 3.14Å; V487-L490 CarbonylContact O-C 3.51Å; V487-L490 VanDerWaalsContact O-CA 3.31Å; V487-L490 WeakPolarHBondContact O-CA 3.11Å; V487-L490 WeakPolarHBondContact O-CB 3.44Å; V487-L490 PolarHBondContact O-N 3.23Å
488	E	80	Confident	88.9	Confident	81 Å²	81	43.6 Å²	43.6	38%	0.379	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	128.6	-173.2	-163.2	-177.8	159.5	0	0	110.5	K524	E488-K524 HydrophobicContact CG-CB 4.48Å
489	P	86.1	Confident	89.5	Confident	42 Å²	42	42.4 Å²	42.4	27%	0.273	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.4	21.4	14.2	39.7	-38.9	0	0	0	115.4	K522 W523 M533	P489-K522 HydrophobicContact CB-CB 4.43Å; P489-K522 HydrophobicContact CB-CD 3.8Å; P489-K522 HydrophobicContact CG-CD 3.53Å; P489-K522 CarbonylContact O-C 3.55Å; P489-K522 VanDerWaalsContact O-CA 3.3Å; P489-K522 WeakPolarHBondContact O-CA 3.19Å; P489-W523 CarbonylContact C-O 3.57Å; P489-W523 WeakPolarHBondContact CA-O 3.41Å; P489-W523 PolarHBondContact O-N 3.13Å; P489-M533 HydrophobicContact CB-SD 3.46Å; P489-M533 WeakPolarHBondContact CB-SD 3.45Å
490	L	91	Very high	90	Very high	21 Å²	21	40.7 Å²	40.7	11%	0.11	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	145	-176.6	-55.7	177.6	0	0	0	111.2	V487 Q521	V487-L490 CarbonylContact C-O 3.17Å; V487-L490 VanDerWaalsContact C-O 3.24Å; V487-L490 PolarHBondContact N-O 3.14Å; V487-L490 CarbonylContact O-C 3.51Å; V487-L490 VanDerWaalsContact O-CA 3.31Å; V487-L490 WeakPolarHBondContact O-CA 3.11Å; V487-L490 WeakPolarHBondContact O-CB 3.44Å; V487-L490 PolarHBondContact O-N 3.23Å; L490-Q521 HydrophobicContact CD2-CB 3.92Å; L490-Q521 WeakPolarHBondContact CD2-O 3.43Å
491	I	93.1	Very high	90.3	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.4	163.7	-56.6	172.6	0	0	0	105.2	L451 W484 L486 C497 L498 W523 L530	L451-I491 HydrophobicContact CD1-CG2 4.05Å; W484-I491 HydrophobicContact CB-CG2 4.48Å; W484-I491 HydrophobicContact CD2-CG2 4.49Å; W484-I491 HydrophobicContact CE3-CG2 3.86Å; L486-I491 HydrophobicContact CD2-CB 4.39Å; L486-I491 HydrophobicContact CD2-CG1 4.04Å; L486-I491 HydrophobicContact CD2-CG2 3.74Å; I491-C497 WeakPolarHBondContact O-CA 3.22Å; I491-L498 HydrophobicContact CB-CB 4.49Å; I491-L498 HydrophobicContact CB-CD1 3.46Å; I491-L498 VanDerWaalsContact CB-CD1 3.46Å; I491-L498 HydrophobicContact CD1-CD1 4.39Å; I491-L498 HydrophobicContact CG2-CD1 3.16Å; I491-L498 PolarHBondContact O-N 2.78Å; I491-W523 HydrophobicContact CD1-CB 3.79Å; I491-W523 HydrophobicContact CD1-CG 4.03Å; I491-W523 HydrophobicContact CG1-CB 4.03Å; I491-W523 HydrophobicContact CG1-CG 4.37Å; I491-L530 HydrophobicContact CD1-CD1 3.95Å; I491-L530 HydrophobicContact CD1-CD2 4.1Å
492	R	90.7	Very high	90.6	Very high	64 Å²	64	38.6 Å²	38.6	24%	0.242	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	160.2	-169.9	75.1	178.8	-175.3	-168.2	-2.8	113.3	E485 L496	E485-R492 HydrophobicContact CB-CG 3.76Å; E485-R492 PolarHBondContact N-O 2.9Å; E485-R492 PolarHBondContact O-N 2.77Å; E485-R492 IonicContact OE2-CZ 3.66Å; E485-R492 VanDerWaalsContact OE2-CZ 3.26Å; E485-R492 IonicContact OE2-NE 3.85Å; E485-R492 PolarHBondContact OE2-NE 2.92Å; E485-R492 IonicContact OE2-NH2 2.7Å; E485-R492 PolarHBondContact OE2-NH2 2.89Å; R492-L496 CarbonylContact C-O 3.56Å; R492-L496 WeakPolarHBondContact CA-O 3.45Å; R492-L496 VanDerWaalsContact CB-O 3.28Å; R492-L496 WeakPolarHBondContact CB-O 3.41Å
493	Q	90.2	Very high	90.8	Very high	28 Å²	28	43 Å²	43	13%	0.131	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	109.7	168.1	-173.1	-173.9	-27.8	0	0	106.1	T460 Q480 K483 W484 D495 L496 M511	T460-Q493 PolarHBondContact OG1-NE2 3.05Å; T460-Q493 PolarHBondContact OG1-OE1 2.79Å; Q480-Q493 VanDerWaalsContact O-CD 3.32Å; Q480-Q493 PolarHBondContact O-NE2 3.34Å; K483-Q493 WeakPolarHBondContact O-CG 3.19Å; W484-Q493 HydrophobicContact CE3-CB 4.35Å; W484-Q493 HydrophobicContact CZ3-CB 4.3Å; Q493-D495 PolarHBondContact O-N 3.42Å; Q493-L496 PolarHBondContact N-O 2.89Å; Q493-L496 PolarHBondContact O-N 3.4Å; Q493-L496 VanDerWaalsContact O-N 3.14Å; Q493-M511 HydrophobicContact CB-CE 4.27Å
494	Q	84.8	Confident	91	Very high	133 Å²	133	46 Å²	46	62%	0.621	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	-126.6	-169.7	-56.5	174.7	-20	0	0	111	L496	Q494-L496 VanDerWaalsContact C-N 3.3Å; Q494-L496 PolarHBondContact O-N 3.26Å
495	D	88.5	Confident	91.2	Very high	124 Å²	124	49.2 Å²	49.2	66%	0.663	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	3	-178.5	-58.6	-37.5	0	0	0	113.6	Q493 L513 C514	Q493-D495 PolarHBondContact O-N 3.42Å; D495-L513 HydrophobicContact CB-CD2 4.37Å; D495-L513 WeakPolarHBondContact O-CA 3.49Å; D495-C514 PolarHBondContact O-N 3.23Å
496	L	91.9	Very high	91.3	Very high	62 Å²	62	48.3 Å²	48.3	33%	0.325	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	133.4	-177.6	-61.8	174.5	0	0	0	111.7	R492 Q493 Q494 M511 E512 L513	R492-L496 CarbonylContact C-O 3.56Å; R492-L496 WeakPolarHBondContact CA-O 3.45Å; R492-L496 VanDerWaalsContact CB-O 3.28Å; R492-L496 WeakPolarHBondContact CB-O 3.41Å; Q493-L496 PolarHBondContact N-O 2.89Å; Q493-L496 PolarHBondContact O-N 3.4Å; Q493-L496 VanDerWaalsContact O-N 3.14Å; Q494-L496 VanDerWaalsContact C-N 3.3Å; Q494-L496 PolarHBondContact O-N 3.26Å; L496-M511 HydrophobicContact CB-CB 4.27Å; L496-M511 HydrophobicContact CB-CE 3.64Å; L496-M511 HydrophobicContact CD1-CB 4.31Å; L496-M511 WeakPolarHBondContact O-CE 3.38Å; L496-E512 CarbonylContact C-O 3.55Å; L496-E512 VanDerWaalsContact CA-O 3.27Å; L496-E512 WeakPolarHBondContact CA-O 3.25Å; L496-L513 HydrophobicContact CD2-CD2 4.33Å; L496-L513 HydrophobicContact CD2-CG 4.43Å
497	C	93.3	Very high	91.7	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.2	-179.7	-79.3	0	0	0	0	110.9	I491 A499 E512 C514 Q521	I491-C497 WeakPolarHBondContact O-CA 3.22Å; C497-A499 PolarHBondContact O-N 3.05Å; C497-E512 PolarHBondContact N-O 3.38Å; C497-E512 PolarHBondContact O-N 3.48Å; C497-C514 HydrophobicContact CB-CB 4.06Å; C497-C514 WeakPolarHBondContact CB-SG 3.36Å; C497-C514 PolarHBondContact N-SG 2.69Å; C497-C514 VanDerWaalsContact SG-CA 3.53Å; C497-C514 WeakPolarHBondContact SG-CB 3.44Å; C497-C514 CovalentContact SG-SG 2.05Å; C497-C514 PolarHBondContact SG-SG 3.39Å; C497-Q521 HydrophobicContact CB-CB 4.46Å; C497-Q521 HydrophobicContact CB-CG 4.19Å
498	L	94.8	Very high	92.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	122.5	169	-83.8	134.2	0	0	0	110.2	L458 L466 W484 I491 V509 M511 Q521 W523	L458-L498 HydrophobicContact CD2-CD1 4.34Å; L466-L498 HydrophobicContact CD2-CD2 3.38Å; W484-L498 HydrophobicContact CE3-CD1 3.82Å; W484-L498 HydrophobicContact CH2-CD1 4.16Å; W484-L498 HydrophobicContact CH2-CG 4.46Å; W484-L498 HydrophobicContact CZ3-CD1 3.46Å; W484-L498 VanDerWaalsContact CZ3-CD1 3.46Å; W484-L498 HydrophobicContact CZ3-CG 3.99Å; I491-L498 HydrophobicContact CB-CB 4.49Å; I491-L498 HydrophobicContact CB-CD1 3.46Å; I491-L498 VanDerWaalsContact CB-CD1 3.46Å; I491-L498 HydrophobicContact CD1-CD1 4.39Å; I491-L498 HydrophobicContact CG2-CD1 3.16Å; I491-L498 PolarHBondContact O-N 2.78Å; L498-V509 HydrophobicContact CB-CG1 4.39Å; L498-V509 HydrophobicContact CD2-CG1 3.51Å; L498-M511 HydrophobicContact CG-SD 4.06Å; L498-Q521 WeakPolarHBondContact O-CA 3.4Å; L498-W523 PolarHBondContact O-NE1 3.07Å
499	A	95.4	Very high	92.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.7	-178.9	0	0	0	0	0	111.2	C497 V509 K510 E512 R520 Q521	C497-A499 PolarHBondContact O-N 3.05Å; A499-V509 WeakPolarHBondContact O-CA 3.34Å; A499-K510 PolarHBondContact N-O 2.81Å; A499-K510 PolarHBondContact O-N 2.97Å; A499-E512 HydrophobicContact CB-CB 4.04Å; A499-E512 HydrophobicContact CB-CG 3.89Å; A499-R520 WeakPolarHBondContact CA-O 3.43Å; A499-Q521 HydrophobicContact CB-CG 3.76Å
500	I	96.3	Very high	93.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	146	170.4	67.7	174	0	0	0	110.6	A502 F503 V509 R520 W523 H532 I550	I500-A502 WeakPolarHBondContact CD1-O 3.4Å; I500-F503 HydrophobicContact CD1-CD1 3.77Å; I500-F503 HydrophobicContact CD1-CE1 4.09Å; I500-F503 HydrophobicContact CD1-CG 4.15Å; I500-V509 HydrophobicContact CG2-CG2 4.42Å; I500-R520 HydrophobicContact CG1-CB 3.77Å; I500-R520 HydrophobicContact CG1-CG 3.98Å; I500-R520 PolarHBondContact N-O 2.72Å; I500-R520 WeakPolarHBondContact O-CD 3.17Å; I500-R520 PolarHBondContact O-NH1 2.85Å; I500-W523 HydrophobicContact CG2-CH2 3.85Å; I500-W523 HydrophobicContact CG2-CZ2 3.64Å; I500-H532 WeakPolarHBondContact CD1-CE1 3.33Å; I500-I550 HydrophobicContact CB-CD1 4.11Å; I500-I550 HydrophobicContact CD1-CD1 3.84Å; I500-I550 HydrophobicContact CG2-CD1 3.95Å; I500-I550 HydrophobicContact CG2-CG2 3.6Å
501	S	94.7	Very high	93.3	Very high	57 Å²	57	49.8 Å²	49.8	40%	0.399	28%	0.276	S	S	.	.	S	Bend	trans	-76.2	-33.2	175.7	47.3	0	0	0	0	113.3	K508	S501-K508 WeakPolarHBondContact CB-O 3.22Å; S501-K508 PolarHBondContact N-O 3.28Å; S501-K508 PolarHBondContact OG-N 2.85Å; S501-K508 PolarHBondContact OG-O 2.77Å
502	A	95.5	Very high	93.3	Very high	38 Å²	38	51.1 Å²	51.1	31%	0.314	28%	0.282	S	S	.	.			trans	-155.4	161.5	174.1	0	0	0	0	0	110.4	I500 T504 S507 I550	I500-A502 WeakPolarHBondContact CD1-O 3.4Å; A502-T504 PolarHBondContact O-N 2.99Å; A502-S507 WeakPolarHBondContact O-CB 3.5Å; A502-S507 PolarHBondContact O-OG 2.57Å; A502-S507 VanDerWaalsContact O-OG 3.13Å; A502-I550 WeakPolarHBondContact O-CD1 3.34Å
503	F	95.4	Very high	93.4	Very high	94 Å²	94	54.2 Å²	54.2	41%	0.412	30%	0.303	S	S	.	.	S	Bend	trans	-79.8	8.9	-176.1	-64.9	-90.2	0	0	0	114.4	I500 P519 R520 H532 V534	I500-F503 HydrophobicContact CD1-CD1 3.77Å; I500-F503 HydrophobicContact CD1-CE1 4.09Å; I500-F503 HydrophobicContact CD1-CG 4.15Å; F503-P519 HydrophobicContact CE1-CB 4.48Å; F503-P519 HydrophobicContact CZ-CB 4.14Å; F503-P519 HydrophobicContact CZ-CG 4.13Å; F503-R520 HydrophobicContact CE1-CG 4.35Å; F503-R520 HydrophobicContact CE2-CG 3.8Å; F503-R520 HydrophobicContact CZ-CG 3.56Å; F503-H532 AromaticContact CD1-CE1 3.84Å; F503-H532 AromaticContact CE1-CE1 3.68Å; F503-V534 HydrophobicContact CD1-CB 4.32Å; F503-V534 HydrophobicContact CD1-CG1 4.02Å; F503-V534 HydrophobicContact CE1-CB 3.89Å; F503-V534 HydrophobicContact CE1-CG1 3.65Å
504	T	95.3	Very high	93.4	Very high	92 Å²	92	54.9 Å²	54.9	56%	0.564	31%	0.31	S	S	*	.	S	Bend	trans	-99.3	150.6	-178.2	48.3	0	0	0	0	112	A502 S507	A502-T504 PolarHBondContact O-N 2.99Å; T504-S507 VanDerWaalsContact O-CB 3.24Å; T504-S507 WeakPolarHBondContact O-CB 3.42Å; T504-S507 PolarHBondContact O-N 2.71Å; T504-S507 PolarHBondContact O-OG 3.06Å; T504-S507 PolarHBondContact OG1-OG 3.08Å; T504-S507 VanDerWaalsContact OG1-OG 3.08Å
505	A	95.6	Very high	93.4	Very high	68 Å²	68	52.1 Å²	52.1	56%	0.562	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	142.8	175.2	0	0	0	0	0	111.7	S507 L537 I550	A505-S507 VanDerWaalsContact C-N 3.3Å; A505-L537 HydrophobicContact CB-CD1 4.05Å; A505-L537 HydrophobicContact CB-CD2 4.43Å; A505-I550 CarbonylContact C-O 3.52Å
506	G	93.4	Very high	92.8	Very high	44 Å²	44	50.6 Å²	50.6	45%	0.454	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-5	-172.9	0	0	0	0	0	114.6	V549 I550	G506-V549 WeakPolarHBondContact O-CG1 3.44Å; G506-I550 PolarHBondContact N-O 3.4Å
507	S	95.5	Very high	92.3	Very high	12 Å²	12	56.3 Å²	56.3	8%	0.084	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-66.9	136.4	178.2	-57.9	0	0	0	0	111.2	A502 T504 A505 V549 I550	A502-S507 WeakPolarHBondContact O-CB 3.5Å; A502-S507 PolarHBondContact O-OG 2.57Å; A502-S507 VanDerWaalsContact O-OG 3.13Å; T504-S507 VanDerWaalsContact O-CB 3.24Å; T504-S507 WeakPolarHBondContact O-CB 3.42Å; T504-S507 PolarHBondContact O-N 2.71Å; T504-S507 PolarHBondContact O-OG 3.06Å; T504-S507 PolarHBondContact OG1-OG 3.08Å; T504-S507 VanDerWaalsContact OG1-OG 3.08Å; A505-S507 VanDerWaalsContact C-N 3.3Å; S507-V549 CarbonylContact O-C 3.59Å; S507-V549 WeakPolarHBondContact O-CA 3.38Å; S507-V549 WeakPolarHBondContact O-CB 3.48Å; S507-I550 PolarHBondContact O-N 2.74Å
508	K	94	Very high	92.3	Very high	129 Å²	129	58 Å²	58	56%	0.561	33%	0.329	S	S	*	.	B	Isolated β-bridge	trans	-67.1	149.1	179.4	-64.4	-177.9	-179.3	179.2	0	111.7	S501 L548	S501-K508 WeakPolarHBondContact CB-O 3.22Å; S501-K508 PolarHBondContact N-O 3.28Å; S501-K508 PolarHBondContact OG-N 2.85Å; S501-K508 PolarHBondContact OG-O 2.77Å; K508-L548 WeakPolarHBondContact CA-O 3.45Å
509	V	94.6	Very high	92	Very high	8 Å²	8	60.7 Å²	60.7	5%	0.048	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.1	170	-169.5	0	0	0	0	109.1	L466 L498 A499 I500 W523 L539 L548 I550	L466-V509 HydrophobicContact CD2-CB 4.33Å; L466-V509 HydrophobicContact CD2-CG1 4.12Å; L498-V509 HydrophobicContact CB-CG1 4.39Å; L498-V509 HydrophobicContact CD2-CG1 3.51Å; A499-V509 WeakPolarHBondContact O-CA 3.34Å; I500-V509 HydrophobicContact CG2-CG2 4.42Å; V509-W523 HydrophobicContact CG1-CH2 4.36Å; V509-W523 HydrophobicContact CG1-CZ2 3.94Å; V509-W523 HydrophobicContact CG2-CH2 4.13Å; V509-W523 HydrophobicContact CG2-CZ2 4.43Å; V509-L539 HydrophobicContact CB-CD1 4.19Å; V509-L539 HydrophobicContact CG1-CD1 4.34Å; V509-L539 HydrophobicContact CG2-CD1 3.67Å; V509-L548 HydrophobicContact CB-CB 4.42Å; V509-L548 PolarHBondContact N-O 2.86Å; V509-I550 HydrophobicContact CG2-CG2 3.93Å
510	K	92.9	Very high	92.1	Very high	75 Å²	75	63 Å²	63	33%	0.326	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	171.7	-177.3	56.8	172.7	175.8	155	0	110.7	A499 E512	A499-K510 PolarHBondContact N-O 2.81Å; A499-K510 PolarHBondContact O-N 2.97Å; K510-E512 HydrophobicContact CD-CG 4.4Å; K510-E512 WeakPolarHBondContact CE-OE1 3.28Å; K510-E512 HydrophobicContact CG-CG 4.42Å; K510-E512 IonicContact NZ-OE1 3.71Å; K510-E512 PolarHBondContact NZ-OE1 3.18Å
511	M	92.8	Very high	92	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.039	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	133.8	173.5	-60.6	-56.2	-68.6	0	0	109.9	T460 L466 W484 Q493 L496 L498	T460-M511 HydrophobicContact CG2-CE 4.46Å; T460-M511 HydrophobicContact CG2-CG 3.96Å; T460-M511 HydrophobicContact CG2-SD 4.2Å; L466-M511 HydrophobicContact CD1-SD 4.39Å; W484-M511 HydrophobicContact CH2-CE 4.16Å; W484-M511 HydrophobicContact CH2-SD 3.84Å; W484-M511 HydrophobicContact CZ3-CE 3.8Å; W484-M511 HydrophobicContact CZ3-SD 3.9Å; Q493-M511 HydrophobicContact CB-CE 4.27Å; L496-M511 HydrophobicContact CB-CB 4.27Å; L496-M511 HydrophobicContact CB-CE 3.64Å; L496-M511 HydrophobicContact CD1-CB 4.31Å; L496-M511 WeakPolarHBondContact O-CE 3.38Å; L498-M511 HydrophobicContact CG-SD 4.06Å
512	E	92.8	Very high	92	Very high	36 Å²	36	62 Å²	62	17%	0.168	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	160.4	174.1	-69.6	-173.5	171.4	0	0	110.2	L496 C497 A499 K510 C514 R520	L496-E512 CarbonylContact C-O 3.55Å; L496-E512 VanDerWaalsContact CA-O 3.27Å; L496-E512 WeakPolarHBondContact CA-O 3.25Å; C497-E512 PolarHBondContact N-O 3.38Å; C497-E512 PolarHBondContact O-N 3.48Å; A499-E512 HydrophobicContact CB-CB 4.04Å; A499-E512 HydrophobicContact CB-CG 3.89Å; K510-E512 HydrophobicContact CD-CG 4.4Å; K510-E512 WeakPolarHBondContact CE-OE1 3.28Å; K510-E512 HydrophobicContact CG-CG 4.42Å; K510-E512 IonicContact NZ-OE1 3.71Å; K510-E512 PolarHBondContact NZ-OE1 3.18Å; E512-C514 PolarHBondContact O-N 2.84Å; E512-R520 VanDerWaalsContact CD-NH1 3.26Å; E512-R520 IonicContact OE1-CZ 2.73Å; E512-R520 IonicContact OE1-NH1 2.71Å; E512-R520 PolarHBondContact OE1-NH1 3.39Å; E512-R520 IonicContact OE1-NH2 3.59Å; E512-R520 IonicContact OE2-CZ 3.74Å; E512-R520 VanDerWaalsContact OE2-CZ 3.23Å; E512-R520 IonicContact OE2-NH1 3.68Å; E512-R520 PolarHBondContact OE2-NH1 3.08Å; E512-R520 IonicContact OE2-NH2 3.68Å; E512-R520 PolarHBondContact OE2-NH2 3.46Å
513	L	92.8	Very high	91.9	Very high	130 Å²	130	60.3 Å²	60.3	68%	0.681	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.8	129.6	174	-77.3	165.9	0	0	0	110.9	D495 L496 N515 Q521	D495-L513 HydrophobicContact CB-CD2 4.37Å; D495-L513 WeakPolarHBondContact O-CA 3.49Å; L496-L513 HydrophobicContact CD2-CD2 4.33Å; L496-L513 HydrophobicContact CD2-CG 4.43Å; L513-N515 PolarHBondContact O-N 2.63Å; L513-Q521 PolarHBondContact O-NE2 3.34Å
514	C	90.3	Very high	91.6	Very high	42 Å²	42	59.4 Å²	59.4	28%	0.284	33%	0.325	S	S	.	.			trans	-60.2	126.1	-179.5	-73.3	0	0	0	0	111.1	D495 C497 E512	D495-C514 PolarHBondContact O-N 3.23Å; C497-C514 HydrophobicContact CB-CB 4.06Å; C497-C514 WeakPolarHBondContact CB-SG 3.36Å; C497-C514 PolarHBondContact N-SG 2.69Å; C497-C514 VanDerWaalsContact SG-CA 3.53Å; C497-C514 WeakPolarHBondContact SG-CB 3.44Å; C497-C514 CovalentContact SG-SG 2.05Å; C497-C514 PolarHBondContact SG-SG 3.39Å; E512-C514 PolarHBondContact O-N 2.84Å
515	N	86.6	Confident	91.3	Very high	74 Å²	74	59.2 Å²	59.2	40%	0.396	33%	0.325	S	S	.	.			trans	-136.7	114.7	176.5	179.3	-11.5	0	0	0	109.3	L513 K517 E518 Q521	L513-N515 PolarHBondContact O-N 2.63Å; N515-K517 PolarHBondContact O-N 2.95Å; N515-K517 WeakPolarHBondContact OD1-CB 3.43Å; N515-K517 PolarHBondContact OD1-N 2.93Å; N515-E518 HydrophobicContact CB-CB 3.76Å; N515-E518 WeakPolarHBondContact O-CB 3.48Å; N515-E518 PolarHBondContact O-N 2.83Å; N515-Q521 PolarHBondContact O-OE1 2.89Å
516	S	75.7	Confident	90.9	Very high	92 Å²	92	61 Å²	61	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.7	-179.1	62.2	0	0	0	0	113.5	K522	S516-K522 PolarHBondContact O-NZ 3.29Å
517	K	81	Confident	90.5	Very high	182 Å²	182	62.3 Å²	62.3	79%	0.791	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.4	176.1	-61	-177	-179.9	-179.8	0	114	N515 P519	N515-K517 PolarHBondContact O-N 2.95Å; N515-K517 WeakPolarHBondContact OD1-CB 3.43Å; N515-K517 PolarHBondContact OD1-N 2.93Å; K517-P519 VanDerWaalsContact O-CD 3.23Å; K517-P519 WeakPolarHBondContact O-CD 3.4Å
518	E	92.5	Very high	90.2	Very high	37 Å²	37	64.9 Å²	64.9	17%	0.173	35%	0.35	C	S	.	.			trans	-77.3	113.7	-176	173.5	57.8	-105.9	0	0	111.2	N515 R520 Q521 K522	N515-E518 HydrophobicContact CB-CB 3.76Å; N515-E518 WeakPolarHBondContact O-CB 3.48Å; N515-E518 PolarHBondContact O-N 2.83Å; E518-R520 VanDerWaalsContact C-N 3.28Å; E518-R520 VanDerWaalsContact CD-NE 3.35Å; E518-R520 VanDerWaalsContact CD-NH2 3.31Å; E518-R520 HydrophobicContact CG-CB 4.19Å; E518-R520 PolarHBondContact O-N 2.99Å; E518-R520 WeakPolarHBondContact OE1-CB 3.36Å; E518-R520 VanDerWaalsContact OE1-CG 3.29Å; E518-R520 WeakPolarHBondContact OE1-CG 3.44Å; E518-R520 IonicContact OE1-CZ 2.88Å; E518-R520 PolarHBondContact OE1-N 2.81Å; E518-R520 IonicContact OE1-NE 2.76Å; E518-R520 PolarHBondContact OE1-NE 3.29Å; E518-R520 IonicContact OE1-NH2 3.23Å; E518-R520 IonicContact OE2-CZ 3.18Å; E518-R520 IonicContact OE2-NE 2.94Å; E518-R520 PolarHBondContact OE2-NE 2.85Å; E518-R520 IonicContact OE2-NH2 3.26Å; E518-R520 PolarHBondContact OE2-NH2 2.87Å; E518-Q521 HydrophobicContact CB-CG 4.26Å; E518-Q521 HydrophobicContact CG-CB 4.34Å; E518-Q521 HydrophobicContact CG-CG 3.73Å; E518-Q521 PolarHBondContact O-N 2.79Å; E518-K522 VanDerWaalsContact O-CE 3.31Å; E518-K522 WeakPolarHBondContact O-CE 3.24Å
519	P	89.8	Confident	90.1	Very high	57 Å²	57	59.3 Å²	59.3	37%	0.37	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.5	-25.7	-178.9	25.3	-35.6	0	0	0	114	F503 K517 Q521 K522 H532 V534	F503-P519 HydrophobicContact CE1-CB 4.48Å; F503-P519 HydrophobicContact CZ-CB 4.14Å; F503-P519 HydrophobicContact CZ-CG 4.13Å; K517-P519 VanDerWaalsContact O-CD 3.23Å; K517-P519 WeakPolarHBondContact O-CD 3.4Å; P519-Q521 PolarHBondContact O-N 2.91Å; P519-K522 WeakPolarHBondContact O-CG 3.31Å; P519-H532 PolarHBondContact O-NE2 2.79Å; P519-H532 VanDerWaalsContact O-NE2 3.1Å; P519-V534 HydrophobicContact CB-CG2 4.11Å
520	R	95.9	Very high	90.1	Very high	48 Å²	48	59.7 Å²	59.7	18%	0.181	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-71.3	-10.9	-179.6	-65.1	176	-59.7	119.1	2.2	114.1	A499 I500 F503 E512 E518	A499-R520 WeakPolarHBondContact CA-O 3.43Å; I500-R520 HydrophobicContact CG1-CB 3.77Å; I500-R520 HydrophobicContact CG1-CG 3.98Å; I500-R520 PolarHBondContact N-O 2.72Å; I500-R520 WeakPolarHBondContact O-CD 3.17Å; I500-R520 PolarHBondContact O-NH1 2.85Å; F503-R520 HydrophobicContact CE1-CG 4.35Å; F503-R520 HydrophobicContact CE2-CG 3.8Å; F503-R520 HydrophobicContact CZ-CG 3.56Å; E512-R520 VanDerWaalsContact CD-NH1 3.26Å; E512-R520 IonicContact OE1-CZ 2.73Å; E512-R520 IonicContact OE1-NH1 2.71Å; E512-R520 PolarHBondContact OE1-NH1 3.39Å; E512-R520 IonicContact OE1-NH2 3.59Å; E512-R520 IonicContact OE2-CZ 3.74Å; E512-R520 VanDerWaalsContact OE2-CZ 3.23Å; E512-R520 IonicContact OE2-NH1 3.68Å; E512-R520 PolarHBondContact OE2-NH1 3.08Å; E512-R520 IonicContact OE2-NH2 3.68Å; E512-R520 PolarHBondContact OE2-NH2 3.46Å; E518-R520 VanDerWaalsContact C-N 3.28Å; E518-R520 VanDerWaalsContact CD-NE 3.35Å; E518-R520 VanDerWaalsContact CD-NH2 3.31Å; E518-R520 HydrophobicContact CG-CB 4.19Å; E518-R520 PolarHBondContact O-N 2.99Å; E518-R520 WeakPolarHBondContact OE1-CB 3.36Å; E518-R520 VanDerWaalsContact OE1-CG 3.29Å; E518-R520 WeakPolarHBondContact OE1-CG 3.44Å; E518-R520 IonicContact OE1-CZ 2.88Å; E518-R520 PolarHBondContact OE1-N 2.81Å; E518-R520 IonicContact OE1-NE 2.76Å; E518-R520 PolarHBondContact OE1-NE 3.29Å; E518-R520 IonicContact OE1-NH2 3.23Å; E518-R520 IonicContact OE2-CZ 3.18Å; E518-R520 IonicContact OE2-NE 2.94Å; E518-R520 PolarHBondContact OE2-NE 2.85Å; E518-R520 IonicContact OE2-NH2 3.26Å; E518-R520 PolarHBondContact OE2-NH2 2.87Å
521	Q	95.8	Very high	90.2	Very high	3 Å²	3	57.2 Å²	57.2	1%	0.014	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-101.9	9.2	-175.9	-68	177	4.9	0	0	113.1	L490 C497 L498 A499 L513 N515 E518 P519 W523	L490-Q521 HydrophobicContact CD2-CB 3.92Å; L490-Q521 WeakPolarHBondContact CD2-O 3.43Å; C497-Q521 HydrophobicContact CB-CB 4.46Å; C497-Q521 HydrophobicContact CB-CG 4.19Å; L498-Q521 WeakPolarHBondContact O-CA 3.4Å; A499-Q521 HydrophobicContact CB-CG 3.76Å; L513-Q521 PolarHBondContact O-NE2 3.34Å; N515-Q521 PolarHBondContact O-OE1 2.89Å; E518-Q521 HydrophobicContact CB-CG 4.26Å; E518-Q521 HydrophobicContact CG-CB 4.34Å; E518-Q521 HydrophobicContact CG-CG 3.73Å; E518-Q521 PolarHBondContact O-N 2.79Å; P519-Q521 PolarHBondContact O-N 2.91Å; Q521-W523 VanDerWaalsContact O-CD1 3.23Å
522	K	93.1	Very high	90.4	Very high	32 Å²	32	56.8 Å²	56.8	14%	0.139	32%	0.317	C	S	.	.			trans	-94	110.7	-169.4	-56.3	-58.4	179.2	-167	0	111.9	P489 S516 E518 P519 H532 M533 V534	P489-K522 HydrophobicContact CB-CB 4.43Å; P489-K522 HydrophobicContact CB-CD 3.8Å; P489-K522 HydrophobicContact CG-CD 3.53Å; P489-K522 CarbonylContact O-C 3.55Å; P489-K522 VanDerWaalsContact O-CA 3.3Å; P489-K522 WeakPolarHBondContact O-CA 3.19Å; S516-K522 PolarHBondContact O-NZ 3.29Å; E518-K522 VanDerWaalsContact O-CE 3.31Å; E518-K522 WeakPolarHBondContact O-CE 3.24Å; P519-K522 WeakPolarHBondContact O-CG 3.31Å; K522-H532 CarbonylContact O-C 3.51Å; K522-H532 WeakPolarHBondContact O-CA 3.19Å; K522-H532 PolarHBondContact O-CD2 2.03Å; K522-M533 HydrophobicContact CB-CB 3.96Å; K522-M533 HydrophobicContact CB-CG 4.2Å; K522-M533 HydrophobicContact CB-SD 4.01Å; K522-M533 PolarHBondContact O-N 3.47Å; K522-V534 HydrophobicContact CB-CG2 4.43Å
523	W	93.7	Very high	90.4	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.6	-178	-59.3	92	0	0	0	111.4	P489 I491 L498 I500 V509 Q521 Q531 H532 L539 I550	P489-W523 CarbonylContact C-O 3.57Å; P489-W523 WeakPolarHBondContact CA-O 3.41Å; P489-W523 PolarHBondContact O-N 3.13Å; I491-W523 HydrophobicContact CD1-CB 3.79Å; I491-W523 HydrophobicContact CD1-CG 4.03Å; I491-W523 HydrophobicContact CG1-CB 4.03Å; I491-W523 HydrophobicContact CG1-CG 4.37Å; L498-W523 PolarHBondContact O-NE1 3.07Å; I500-W523 HydrophobicContact CG2-CH2 3.85Å; I500-W523 HydrophobicContact CG2-CZ2 3.64Å; V509-W523 HydrophobicContact CG1-CH2 4.36Å; V509-W523 HydrophobicContact CG1-CZ2 3.94Å; V509-W523 HydrophobicContact CG2-CH2 4.13Å; V509-W523 HydrophobicContact CG2-CZ2 4.43Å; Q521-W523 VanDerWaalsContact O-CD1 3.23Å; W523-Q531 CarbonylContact C-O 3.56Å; W523-Q531 WeakPolarHBondContact CA-O 3.47Å; W523-H532 HydrophobicContact CD2-CB 4.48Å; W523-H532 HydrophobicContact CE3-CB 4Å; W523-H532 HydrophobicContact CH2-CB 4.19Å; W523-H532 HydrophobicContact CZ3-CB 3.84Å; W523-L539 HydrophobicContact CH2-CB 4.35Å; W523-L539 HydrophobicContact CH2-CD1 4.25Å; W523-L539 HydrophobicContact CZ3-CB 3.89Å; W523-I550 HydrophobicContact CH2-CG2 3.68Å; W523-I550 HydrophobicContact CZ3-CG2 4.26Å
524	K	90.3	Very high	90.3	Very high	74 Å²	74	56.8 Å²	56.8	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	151.5	171.5	67	178.3	177.8	-178.5	0	111.2	E488 Q531 M533	E488-K524 HydrophobicContact CG-CB 4.48Å; K524-Q531 HydrophobicContact CG-CB 4.39Å; K524-Q531 PolarHBondContact N-O 3Å; K524-Q531 PolarHBondContact O-N 3.26Å; K524-M533 HydrophobicContact CB-CG 3.97Å; K524-M533 HydrophobicContact CB-SD 4.32Å; K524-M533 HydrophobicContact CD-CE 4.38Å; K524-M533 HydrophobicContact CD-CG 3.97Å; K524-M533 HydrophobicContact CG-CG 3.8Å
525	P	88.8	Confident	90.4	Very high	89 Å²	89	56.4 Å²	56.4	58%	0.578	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	142.2	170.5	28.1	-33	0	0	0	111.3
526	K	86.1	Confident	90.8	Very high	106 Å²	106	54.1 Å²	54.1	46%	0.461	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	86.9	173.2	-174.6	-178.9	-178.6	179.8	0	109.2	A529 Q531	K526-A529 PolarHBondContact N-O 2.71Å; K526-A529 PolarHBondContact O-N 2.79Å; K526-A529 VanDerWaalsContact O-N 3.08Å; K526-Q531 HydrophobicContact CB-CB 4.07Å; K526-Q531 HydrophobicContact CD-CB 4.39Å
527	G	86.3	Confident	91.8	Very high	71 Å²	71	50.4 Å²	50.4	73%	0.732	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-132	-167.1	0	0	0	0	0	109.6	A529	G527-A529 PolarHBondContact O-N 2.81Å
528	P	88.4	Confident	92.5	Very high	65 Å²	65	41.8 Å²	41.8	42%	0.422	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-7	174.2	33.1	-35.3	0	0	0	113.3	W562	P528-W562 WeakPolarHBondContact O-CA 3.37Å; P528-W562 PolarHBondContact O-N 3.14Å
529	A	92.4	Very high	92.7	Very high	12 Å²	12	40 Å²	40	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	154.6	-177.2	0	0	0	0	0	113.1	K526 G527 C538 Q560	K526-A529 PolarHBondContact N-O 2.71Å; K526-A529 PolarHBondContact O-N 2.79Å; K526-A529 VanDerWaalsContact O-N 3.08Å; G527-A529 PolarHBondContact O-N 2.81Å; A529-C538 HydrophobicContact CB-CB 4.47Å; A529-Q560 VanDerWaalsContact CA-O 3.23Å; A529-Q560 WeakPolarHBondContact CA-O 3.5Å; A529-Q560 WeakPolarHBondContact CB-O 3.4Å
530	L	94.1	Very high	92.9	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.089	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.9	168.8	-67	173.5	0	0	0	109	L451 I491 C538 L539 W562	L451-L530 HydrophobicContact CD1-CD1 3.95Å; L451-L530 HydrophobicContact CD2-CD1 4.21Å; I491-L530 HydrophobicContact CD1-CD1 3.95Å; I491-L530 HydrophobicContact CD1-CD2 4.1Å; L530-C538 CarbonylContact O-C 3.59Å; L530-C538 VanDerWaalsContact O-CA 3.31Å; L530-C538 WeakPolarHBondContact O-CA 3.13Å; L530-L539 HydrophobicContact CB-CB 4.12Å; L530-L539 HydrophobicContact CD1-CD2 4.01Å; L530-L539 PolarHBondContact O-N 2.97Å; L530-W562 HydrophobicContact CD1-CB 4.01Å; L530-W562 HydrophobicContact CD1-CD2 4.32Å; L530-W562 HydrophobicContact CD1-CG 3.86Å; L530-W562 HydrophobicContact CG-CB 4.08Å; L530-W562 HydrophobicContact CG-CG 4.1Å
531	Q	95.7	Very high	92.7	Very high	22 Å²	22	36 Å²	36	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.2	-176.9	-169.7	-176	42.8	0	0	110.8	W523 K524 K526 M533 G536	W523-Q531 CarbonylContact C-O 3.56Å; W523-Q531 WeakPolarHBondContact CA-O 3.47Å; K524-Q531 HydrophobicContact CG-CB 4.39Å; K524-Q531 PolarHBondContact N-O 3Å; K524-Q531 PolarHBondContact O-N 3.26Å; K526-Q531 HydrophobicContact CB-CB 4.07Å; K526-Q531 HydrophobicContact CD-CB 4.39Å; Q531-M533 PolarHBondContact O-N 2.85Å; Q531-G536 PolarHBondContact NE2-O 3.38Å
532	H	96.8	Very high	92.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	121.3	167.2	178.7	-103.5	0	0	0	109.8	I500 F503 P519 K522 W523 V534 S535 G536 L537	I500-H532 WeakPolarHBondContact CD1-CE1 3.33Å; F503-H532 AromaticContact CD1-CE1 3.84Å; F503-H532 AromaticContact CE1-CE1 3.68Å; P519-H532 PolarHBondContact O-NE2 2.79Å; P519-H532 VanDerWaalsContact O-NE2 3.1Å; K522-H532 CarbonylContact O-C 3.51Å; K522-H532 WeakPolarHBondContact O-CA 3.19Å; K522-H532 PolarHBondContact O-CD2 2.03Å; W523-H532 HydrophobicContact CD2-CB 4.48Å; W523-H532 HydrophobicContact CE3-CB 4Å; W523-H532 HydrophobicContact CH2-CB 4.19Å; W523-H532 HydrophobicContact CZ3-CB 3.84Å; H532-V534 PolarHBondContact O-N 3.09Å; H532-S535 PolarHBondContact ND1-N 2.84Å; H532-S535 VanDerWaalsContact ND1-N 3.14Å; H532-S535 PolarHBondContact ND1-OG 2.82Å; H532-G536 WeakPolarHBondContact O-CA 3.17Å; H532-G536 PolarHBondContact O-N 2.88Å; H532-L537 PolarHBondContact N-O 2.04Å
533	M	92.5	Very high	91.6	Very high	79 Å²	79	43 Å²	43	39%	0.389	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.9	-165.8	-63.5	178	76.7	0	0	113.3	P489 K522 K524 Q531	P489-M533 HydrophobicContact CB-SD 3.46Å; P489-M533 WeakPolarHBondContact CB-SD 3.45Å; K522-M533 HydrophobicContact CB-CB 3.96Å; K522-M533 HydrophobicContact CB-CG 4.2Å; K522-M533 HydrophobicContact CB-SD 4.01Å; K522-M533 PolarHBondContact O-N 3.47Å; K524-M533 HydrophobicContact CB-CG 3.97Å; K524-M533 HydrophobicContact CB-SD 4.32Å; K524-M533 HydrophobicContact CD-CE 4.38Å; K524-M533 HydrophobicContact CD-CG 3.97Å; K524-M533 HydrophobicContact CG-CG 3.8Å; Q531-M533 PolarHBondContact O-N 2.85Å
534	V	91	Very high	90.6	Very high	86 Å²	86	47.3 Å²	47.3	52%	0.521	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-44.5	-173.9	-177.3	0	0	0	0	111.9	F503 P519 K522 H532	F503-V534 HydrophobicContact CD1-CB 4.32Å; F503-V534 HydrophobicContact CD1-CG1 4.02Å; F503-V534 HydrophobicContact CE1-CB 3.89Å; F503-V534 HydrophobicContact CE1-CG1 3.65Å; P519-V534 HydrophobicContact CB-CG2 4.11Å; K522-V534 HydrophobicContact CB-CG2 4.43Å; H532-V534 PolarHBondContact O-N 3.09Å
535	S	92.6	Very high	89.8	Confident	34 Å²	34	48.9 Å²	48.9	24%	0.238	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.8	179.7	64.9	0	0	0	0	113.2	H532 L537	H532-S535 PolarHBondContact ND1-N 2.84Å; H532-S535 VanDerWaalsContact ND1-N 3.14Å; H532-S535 PolarHBondContact ND1-OG 2.82Å; S535-L537 PolarHBondContact O-N 2.76Å; S535-L537 PolarHBondContact OG-N 3.25Å
536	G	93.4	Very high	89.2	Confident	27 Å²	27	45.5 Å²	45.5	28%	0.278	29%	0.287	S	S	.	.			trans	72.5	5.8	-174.2	0	0	0	0	0	114.5	Q531 H532 C553	Q531-G536 PolarHBondContact NE2-O 3.38Å; H532-G536 WeakPolarHBondContact O-CA 3.17Å; H532-G536 PolarHBondContact O-N 2.88Å; G536-C553 PolarHBondContact O-SG 3.34Å
537	L	97	Very high	89.1	Confident	14 Å²	14	43.5 Å²	43.5	7%	0.073	28%	0.284	C	S	.	.			trans	-88	156.3	179.1	-59.7	174.3	0	0	0	111.2	A505 H532 S535 I550 A551	A505-L537 HydrophobicContact CB-CD1 4.05Å; A505-L537 HydrophobicContact CB-CD2 4.43Å; H532-L537 PolarHBondContact N-O 2.04Å; S535-L537 PolarHBondContact O-N 2.76Å; S535-L537 PolarHBondContact OG-N 3.25Å; L537-I550 HydrophobicContact CB-CB 3.9Å; L537-I550 HydrophobicContact CB-CD1 4.35Å; L537-I550 HydrophobicContact CB-CG1 4.35Å; L537-I550 HydrophobicContact CD1-CB 4.39Å; L537-I550 HydrophobicContact CD1-CD1 3.76Å; L537-I550 HydrophobicContact CD1-CG1 3.94Å; L537-A551 CarbonylContact C-O 3.56Å; L537-A551 WeakPolarHBondContact CA-O 2.99Å; L537-A551 WeakPolarHBondContact CB-O 3.43Å
538	C	96.9	Very high	89.4	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	146.9	-177.1	-75	0	0	0	0	111.9	A529 L530 D540 I550 A551 C553	A529-C538 HydrophobicContact CB-CB 4.47Å; L530-C538 CarbonylContact O-C 3.59Å; L530-C538 VanDerWaalsContact O-CA 3.31Å; L530-C538 WeakPolarHBondContact O-CA 3.13Å; C538-D540 PolarHBondContact O-N 2.69Å; C538-I550 CarbonylContact O-C 3.52Å; C538-I550 VanDerWaalsContact O-CA 3.31Å; C538-I550 WeakPolarHBondContact O-CA 3.4Å; C538-A551 PolarHBondContact N-O 3.33Å; C538-A551 PolarHBondContact O-N 3.4Å; C538-C553 HydrophobicContact CB-CB 3.95Å; C538-C553 WeakPolarHBondContact CB-SG 3.37Å; C538-C553 PolarHBondContact N-SG 3.05Å; C538-C553 WeakPolarHBondContact SG-CB 3.45Å; C538-C553 CovalentContact SG-SG 2.04Å; C538-C553 PolarHBondContact SG-SG 3.45Å
539	L	96	Very high	89.8	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124.2	171.5	-176.9	66.4	0	0	0	109.5	V509 W523 L530 L548 W562	V509-L539 HydrophobicContact CB-CD1 4.19Å; V509-L539 HydrophobicContact CG1-CD1 4.34Å; V509-L539 HydrophobicContact CG2-CD1 3.67Å; W523-L539 HydrophobicContact CH2-CB 4.35Å; W523-L539 HydrophobicContact CH2-CD1 4.25Å; W523-L539 HydrophobicContact CZ3-CB 3.89Å; L530-L539 HydrophobicContact CB-CB 4.12Å; L530-L539 HydrophobicContact CD1-CD2 4.01Å; L530-L539 PolarHBondContact O-N 2.97Å; L539-L548 HydrophobicContact CD1-CB 4.11Å; L539-L548 HydrophobicContact CD1-CD1 4.2Å; L539-W562 HydrophobicContact CD2-CD2 4.29Å; L539-W562 HydrophobicContact CD2-CH2 4.23Å; L539-W562 HydrophobicContact CD2-CZ2 3.6Å; L539-W562 HydrophobicContact CG-CZ2 3.73Å; L539-W562 PolarHBondContact O-NE1 3.09Å; L539-W562 VanDerWaalsContact O-NE1 3.12Å
540	D	94.8	Very high	90	Very high	16 Å²	16	36.8 Å²	36.8	9%	0.086	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129	-175.1	-162.5	-29.3	0	0	0	109.9	C538 Q542 V549 A551 G559 Q560	C538-D540 PolarHBondContact O-N 2.69Å; D540-Q542 WeakPolarHBondContact OD1-CA 3.31Å; D540-Q542 PolarHBondContact OD1-N 3.4Å; D540-V549 HydrophobicContact CB-CG2 4.33Å; D540-V549 PolarHBondContact N-O 3.41Å; D540-V549 PolarHBondContact O-N 3.12Å; D540-A551 HydrophobicContact CB-CB 3.92Å; D540-G559 WeakPolarHBondContact CA-O 3.31Å; D540-Q560 HydrophobicContact CB-CG 3.83Å; D540-Q560 WeakPolarHBondContact OD2-CG 3.11Å; D540-Q560 PolarHBondContact OD2-NE2 2.81Å
541	S	91.9	Very high	90.1	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	23%	0.228	C	C	.	.			trans	-77	-22.6	174.5	75	0	0	0	0	113.8	Q453 S543 L548 G559	Q453-S541 PolarHBondContact NE2-OG 3.08Å; S541-S543 PolarHBondContact O-N 3.12Å; S541-L548 VanDerWaalsContact CA-CD2 3.47Å; S541-G559 PolarHBondContact N-O 2.8Å
542	Q	85.6	Confident	90.1	Very high	127 Å²	127	41.4 Å²	41.4	59%	0.593	25%	0.25	S	S	*	.	S	Bend	trans	55.8	-53.4	-169.3	-63.3	-170.6	-22.7	0	0	115	D540 V549	D540-Q542 WeakPolarHBondContact OD1-CA 3.31Å; D540-Q542 PolarHBondContact OD1-N 3.4Å; Q542-V549 HydrophobicContact CG-CG2 3.74Å
543	S	79.3	Confident	89.9	Confident	57 Å²	57	42.7 Å²	42.7	40%	0.399	26%	0.259	S	S	.	.	S	Bend	trans	-144.7	167	174.7	70	0	0	0	0	110.7	S541 S545 G546	S541-S543 PolarHBondContact O-N 3.12Å; S543-S545 VanDerWaalsContact C-N 3.28Å; S543-S545 PolarHBondContact O-N 2.9Å; S543-G546 WeakPolarHBondContact OG-CA 3.02Å; S543-G546 PolarHBondContact OG-N 2.74Å
544	T	72.3	Confident	89.9	Confident	93 Å²	93	46.4 Å²	46.4	57%	0.571	27%	0.268	S	S	*	.	S	Bend	trans	-70.6	-21.6	-179.6	43.2	0	0	0	0	113.9
545	S	74.3	Confident	89.3	Confident	108 Å²	108	47.9 Å²	47.9	76%	0.755	28%	0.28	S	S	*	.	S	Bend	trans	-109	-5.3	-179.6	56.4	0	0	0	0	114	S543	S543-S545 VanDerWaalsContact C-N 3.28Å; S543-S545 PolarHBondContact O-N 2.9Å
546	G	75.2	Confident	88.9	Confident	18 Å²	18	55.3 Å²	55.3	19%	0.186	31%	0.311	C	S	.	.	S	Bend	trans	-82.7	166.3	-177.6	0	0	0	0	0	114.1	S543	S543-G546 WeakPolarHBondContact OG-CA 3.02Å; S543-G546 PolarHBondContact OG-N 2.74Å
547	P	85	Confident	88.7	Confident	63 Å²	63	56.4 Å²	56.4	41%	0.409	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-69.7	146.6	171.1	31.2	-33.9	0	0	0	110.4
548	L	92.9	Very high	88.3	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.01	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-72.3	136.2	169.8	-58	-162.4	0	0	0	110.7	L458 L466 K508 V509 L539 S541 W562	L458-L548 HydrophobicContact CD1-CD1 3.15Å; L458-L548 HydrophobicContact CD1-CG 4.47Å; L466-L548 HydrophobicContact CD2-CB 4.31Å; L466-L548 HydrophobicContact CD2-CD1 3.75Å; L466-L548 HydrophobicContact CD2-CG 4.32Å; L466-L548 HydrophobicContact CG-CD1 3.93Å; L466-L548 HydrophobicContact CG-CG 4.39Å; K508-L548 WeakPolarHBondContact CA-O 3.45Å; V509-L548 HydrophobicContact CB-CB 4.42Å; V509-L548 PolarHBondContact N-O 2.86Å; L539-L548 HydrophobicContact CD1-CB 4.11Å; L539-L548 HydrophobicContact CD1-CD1 4.2Å; S541-L548 VanDerWaalsContact CA-CD2 3.47Å; L548-W562 HydrophobicContact CD1-CH2 4.06Å; L548-W562 HydrophobicContact CD1-CZ2 4.44Å
549	V	95.1	Very high	87.9	Confident	5 Å²	5	59.9 Å²	59.9	3%	0.03	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	170.8	-178.8	-60.2	0	0	0	0	110.7	G506 S507 D540 Q542	G506-V549 WeakPolarHBondContact O-CG1 3.44Å; S507-V549 CarbonylContact O-C 3.59Å; S507-V549 WeakPolarHBondContact O-CA 3.38Å; S507-V549 WeakPolarHBondContact O-CB 3.48Å; D540-V549 HydrophobicContact CB-CG2 4.33Å; D540-V549 PolarHBondContact N-O 3.41Å; D540-V549 PolarHBondContact O-N 3.12Å; Q542-V549 HydrophobicContact CG-CG2 3.74Å
550	I	96.8	Very high	87.8	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.6	164.4	59.2	178.2	0	0	0	110.7	I500 A502 A505 G506 S507 V509 W523 L537 C538	I500-I550 HydrophobicContact CB-CD1 4.11Å; I500-I550 HydrophobicContact CD1-CD1 3.84Å; I500-I550 HydrophobicContact CG2-CD1 3.95Å; I500-I550 HydrophobicContact CG2-CG2 3.6Å; A502-I550 WeakPolarHBondContact O-CD1 3.34Å; A505-I550 CarbonylContact C-O 3.52Å; G506-I550 PolarHBondContact N-O 3.4Å; S507-I550 PolarHBondContact O-N 2.74Å; V509-I550 HydrophobicContact CG2-CG2 3.93Å; W523-I550 HydrophobicContact CH2-CG2 3.68Å; W523-I550 HydrophobicContact CZ3-CG2 4.26Å; L537-I550 HydrophobicContact CB-CB 3.9Å; L537-I550 HydrophobicContact CB-CD1 4.35Å; L537-I550 HydrophobicContact CB-CG1 4.35Å; L537-I550 HydrophobicContact CD1-CB 4.39Å; L537-I550 HydrophobicContact CD1-CD1 3.76Å; L537-I550 HydrophobicContact CD1-CG1 3.94Å; C538-I550 CarbonylContact O-C 3.52Å; C538-I550 VanDerWaalsContact O-CA 3.31Å; C538-I550 WeakPolarHBondContact O-CA 3.4Å
551	A	96.2	Very high	87.7	Confident	15 Å²	15	61 Å²	61	12%	0.124	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	172.2	179.3	0	0	0	0	0	111.5	L537 C538 D540 C553	L537-A551 CarbonylContact C-O 3.56Å; L537-A551 WeakPolarHBondContact CA-O 2.99Å; L537-A551 WeakPolarHBondContact CB-O 3.43Å; C538-A551 PolarHBondContact N-O 3.33Å; C538-A551 PolarHBondContact O-N 3.4Å; D540-A551 HydrophobicContact CB-CB 3.92Å; A551-C553 PolarHBondContact O-N 2.79Å
552	Q	96.4	Very high	87.7	Confident	122 Å²	122	61.1 Å²	61.1	57%	0.57	35%	0.352	S	S	*	.			trans	-58.7	128.2	175.2	-170.1	66	14.1	0	0	109.5	R554 Q560	Q552-R554 PolarHBondContact O-N 3.45Å; Q552-Q560 PolarHBondContact O-NE2 3.22Å; Q552-Q560 PolarHBondContact O-OE1 3.21Å
553	C	93.5	Very high	87.9	Confident	26 Å²	26	60.2 Å²	60.2	18%	0.176	35%	0.348	C	S	.	.			trans	-61.5	119.9	-179	-65.8	0	0	0	0	111.5	G536 C538 A551	G536-C553 PolarHBondContact O-SG 3.34Å; C538-C553 HydrophobicContact CB-CB 3.95Å; C538-C553 WeakPolarHBondContact CB-SG 3.37Å; C538-C553 PolarHBondContact N-SG 3.05Å; C538-C553 WeakPolarHBondContact SG-CB 3.45Å; C538-C553 CovalentContact SG-SG 2.04Å; C538-C553 PolarHBondContact SG-SG 3.45Å; A551-C553 PolarHBondContact O-N 2.79Å
554	R	91.6	Very high	88.2	Confident	157 Å²	157	61.1 Å²	61.1	59%	0.592	35%	0.353	S	S	*	.			trans	-133.1	109.6	180	-69	176	-175	-179.3	2.1	109.6	Q552 Q556 V557	Q552-R554 PolarHBondContact O-N 3.45Å; R554-Q556 PolarHBondContact O-N 3.33Å; R554-Q556 VanDerWaalsContact O-N 3.14Å; R554-V557 HydrophobicContact CB-CB 4.24Å; R554-V557 HydrophobicContact CB-CG2 3.6Å; R554-V557 HydrophobicContact CG-CG2 4.46Å; R554-V557 PolarHBondContact O-N 2.79Å
555	P	78.6	Confident	88.9	Confident	117 Å²	117	60.5 Å²	60.5	76%	0.76	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.9	-172.4	25	-32.7	0	0	0	114.4
556	Q	84.6	Confident	89.3	Confident	190 Å²	190	59.3 Å²	59.3	89%	0.888	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.5	-178.8	-54.9	-95.8	11.4	0	0	112.5	R554	R554-Q556 PolarHBondContact O-N 3.33Å; R554-Q556 VanDerWaalsContact O-N 3.14Å
557	V	88.1	Confident	89.4	Confident	50 Å²	50	59.8 Å²	59.8	30%	0.303	33%	0.329	S	S	.	.			trans	-90.9	115.1	-173.1	175.7	0	0	0	0	109.6	R554 G559 Q560	R554-V557 HydrophobicContact CB-CB 4.24Å; R554-V557 HydrophobicContact CB-CG2 3.6Å; R554-V557 HydrophobicContact CG-CG2 4.46Å; R554-V557 PolarHBondContact O-N 2.79Å; V557-G559 PolarHBondContact O-N 3.42Å; V557-Q560 HydrophobicContact CB-CG 4.43Å; V557-Q560 HydrophobicContact CG1-CG 4.23Å; V557-Q560 PolarHBondContact O-N 2.99Å
558	A	88.3	Confident	88.3	Confident	76 Å²	76	66.7 Å²	66.7	63%	0.628	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-57.3	-32.4	178.2	0	0	0	0	0	112.9	Q453 Q560 S561	Q453-A558 VanDerWaalsContact CD-O 3.3Å; Q453-A558 WeakPolarHBondContact CG-O 3.28Å; A558-Q560 PolarHBondContact O-N 3.49Å; A558-Q560 VanDerWaalsContact O-N 3.14Å; A558-S561 PolarHBondContact O-N 3Å; A558-S561 VanDerWaalsContact O-N 3.12Å
559	G	89.8	Confident	88.1	Confident	11 Å²	11	69.9 Å²	69.9	11%	0.113	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-63.7	-10.7	175.2	0	0	0	0	0	115.8	Q453 D540 S541 V557	Q453-G559 PolarHBondContact OE1-O 3.45Å; Q453-G559 VanDerWaalsContact OE1-O 3.09Å; D540-G559 WeakPolarHBondContact CA-O 3.31Å; S541-G559 PolarHBondContact N-O 2.8Å; V557-G559 PolarHBondContact O-N 3.42Å
560	Q	93.7	Very high	87.7	Confident	5 Å²	5	73.3 Å²	73.3	2%	0.023	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-115.2	4.4	176.9	-61.4	-174.2	8.2	0	0	112.4	A529 D540 Q552 V557 A558	A529-Q560 VanDerWaalsContact CA-O 3.23Å; A529-Q560 WeakPolarHBondContact CA-O 3.5Å; A529-Q560 WeakPolarHBondContact CB-O 3.4Å; D540-Q560 HydrophobicContact CB-CG 3.83Å; D540-Q560 WeakPolarHBondContact OD2-CG 3.11Å; D540-Q560 PolarHBondContact OD2-NE2 2.81Å; Q552-Q560 PolarHBondContact O-NE2 3.22Å; Q552-Q560 PolarHBondContact O-OE1 3.21Å; V557-Q560 HydrophobicContact CB-CG 4.43Å; V557-Q560 HydrophobicContact CG1-CG 4.23Å; V557-Q560 PolarHBondContact O-N 2.99Å; A558-Q560 PolarHBondContact O-N 3.49Å; A558-Q560 VanDerWaalsContact O-N 3.14Å
561	S	92.8	Very high	87.2	Confident	35 Å²	35	77.4 Å²	77.4	25%	0.245	42%	0.418	C	S	.	.			trans	-97.2	106	-178.6	-173.5	0	0	0	0	110	A558	A558-S561 PolarHBondContact O-N 3Å; A558-S561 VanDerWaalsContact O-N 3.12Å
562	W	92.1	Very high	86.7	Confident	6 Å²	6	81.1 Å²	81.1	2%	0.023	44%	0.436	C	S	.	.			trans	-109.3	119.4	-177.6	-60.6	92.3	0	0	0	110.4	L451 K452 Q453 L458 L468 P528 L530 L539 L548 P564	L451-W562 HydrophobicContact CB-CE3 4.2Å; K452-W562 CarbonylContact O-C 3.52Å; K452-W562 VanDerWaalsContact O-CA 3.31Å; K452-W562 WeakPolarHBondContact O-CA 3.23Å; Q453-W562 HydrophobicContact CB-CE3 4.46Å; Q453-W562 HydrophobicContact CB-CZ3 4.42Å; L458-W562 HydrophobicContact CB-CZ3 3.98Å; L458-W562 HydrophobicContact CD1-CH2 4.19Å; L458-W562 HydrophobicContact CD1-CZ3 4.3Å; L468-W562 HydrophobicContact CD2-CH2 3.89Å; L468-W562 HydrophobicContact CD2-CZ3 3.89Å; P528-W562 WeakPolarHBondContact O-CA 3.37Å; P528-W562 PolarHBondContact O-N 3.14Å; L530-W562 HydrophobicContact CD1-CB 4.01Å; L530-W562 HydrophobicContact CD1-CD2 4.32Å; L530-W562 HydrophobicContact CD1-CG 3.86Å; L530-W562 HydrophobicContact CG-CB 4.08Å; L530-W562 HydrophobicContact CG-CG 4.1Å; L539-W562 HydrophobicContact CD2-CD2 4.29Å; L539-W562 HydrophobicContact CD2-CH2 4.23Å; L539-W562 HydrophobicContact CD2-CZ2 3.6Å; L539-W562 HydrophobicContact CG-CZ2 3.73Å; L539-W562 PolarHBondContact O-NE1 3.09Å; L539-W562 VanDerWaalsContact O-NE1 3.12Å; L548-W562 HydrophobicContact CD1-CH2 4.06Å; L548-W562 HydrophobicContact CD1-CZ2 4.44Å; W562-P564 WeakPolarHBondContact O-CD 3.44Å
563	E	89.7	Confident	86.1	Confident	108 Å²	108	78.5 Å²	78.5	51%	0.505	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	99.1	179.9	-68	171.3	-160.6	0	0	109.6	K452 Q565	K452-E563 HydrophobicContact CB-CB 4.17Å; K452-E563 WeakPolarHBondContact CB-O 3.31Å; K452-E563 PolarHBondContact N-O 3.39Å; K452-E563 PolarHBondContact O-N 3.19Å; E563-Q565 PolarHBondContact O-N 3.14Å
564	P	86.5	Confident	85.6	Confident	76 Å²	76	82 Å²	82	49%	0.494	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121	175.5	26.8	-31.9	0	0	0	110.4	V450 L451 L486 W562	V450-P564 CarbonylContact O-C 3.47Å; V450-P564 WeakPolarHBondContact O-CA 3.45Å; L451-P564 HydrophobicContact CD2-CB 4.07Å; L486-P564 HydrophobicContact CD1-CB 4.03Å; W562-P564 WeakPolarHBondContact O-CD 3.44Å
565	Q	85.3	Confident	85.1	Confident	81 Å²	81	76.6 Å²	76.6	38%	0.379	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.1	170.1	-173.1	-179.3	11.6	0	0	109.6	S449 V450 E563 I567	S449-Q565 CarbonylContact C-O 3.57Å; S449-Q565 VanDerWaalsContact CA-O 3.28Å; S449-Q565 WeakPolarHBondContact CA-O 3.46Å; V450-Q565 PolarHBondContact N-O 3.25Å; V450-Q565 PolarHBondContact O-N 3.18Å; E563-Q565 PolarHBondContact O-N 3.14Å; Q565-I567 PolarHBondContact O-N 3.41Å
566	V	82.9	Confident	85.6	Confident	82 Å²	82	73.5 Å²	73.5	50%	0.497	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	133.5	177.5	-176.4	0	0	0	0	110.2	V447 I568	V447-V566 HydrophobicContact CG1-CB 4.39Å; V447-V566 HydrophobicContact CG1-CG1 3.88Å; V447-V566 HydrophobicContact CG1-CG2 3.76Å; V566-I568 HydrophobicContact CG1-CG1 4.3Å
567	I	77.3	Confident	85.7	Confident	28 Å²	28	63.8 Å²	63.8	14%	0.144	37%	0.368	C	S	.	.			trans	-92	107.1	172.4	-55.2	174.4	0	0	0	106.2	S448 V450 K483 Q565	S448-I567 PolarHBondContact O-N 3.4Å; V450-I567 HydrophobicContact CG2-CD1 3.8Å; V450-I567 HydrophobicContact CG2-CG1 3.99Å; K483-I567 HydrophobicContact CB-CD1 4.39Å; K483-I567 HydrophobicContact CD-CD1 4.23Å; K483-I567 HydrophobicContact CG-CD1 3.74Å; Q565-I567 PolarHBondContact O-N 3.41Å
568	I	62.6	Low	85.5	Confident	208 Å²	208	65.1 Å²	65.1	100%	1.067	37%	0.374	S	S	*	.			trans	-87	0	174.8	-54.7	174.3	0	0	0	109.5	V566	V566-I568 HydrophobicContact CG1-CG1 4.3Å

Retrieved 568 of 568 residues in 1003.3 ms (Link to these results)

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