A0A087X4N7_POEFO Loading...

Nucleoside diphosphate kinase B

Major role in the synthesis of nucleoside triphosphates other than ATP.

AlphaFold DB , UniProt , Accession A0A087X4N7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 627 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	34.3	Very low	48.5	Very low	245 Å²	245	133 Å²	133	100%	1.207	73%	0.733	S	S	*	*				0	99.4	0	-68.6	-142.6	-83.8	0	0	107.6
2	A	34.8	Very low	51.7	Low	104 Å²	104	126.3 Å²	126.3	86%	0.86	71%	0.707	S	S	*	*			trans	-82.3	119.3	179.5	0	0	0	0	0	108.4	K4	A2-K4 PolarHBondContact O-N 3.4Å
3	G	36.1	Very low	54.5	Low	73 Å²	73	121.8 Å²	121.8	75%	0.753	69%	0.69	S	S	*	*			trans	-60.2	128.8	178.5	0	0	0	0	0	110.6	K5	G3-K5 PolarHBondContact O-N 2.98Å
4	K	36.3	Very low	57	Low	210 Å²	210	113.4 Å²	113.4	91%	0.913	64%	0.642	S	S	*	*			trans	-55.9	106.9	168.5	-78.1	-179.4	173	-179.5	0	108.1	A2 K6	A2-K4 PolarHBondContact O-N 3.4Å; K4-K6 PolarHBondContact O-N 3.23Å; K4-K6 VanDerWaalsContact O-N 3.13Å
5	K	36.8	Very low	59	Low	206 Å²	206	112.1 Å²	112.1	90%	0.896	63%	0.63	S	S	*	*			trans	-55.7	114.8	163.5	-106.9	-180	171.9	-177.4	0	106.5	G3 E7	G3-K5 PolarHBondContact O-N 2.98Å; K5-E7 PolarHBondContact O-N 3.13Å
6	K	34.5	Very low	60.9	Low	203 Å²	203	108.7 Å²	108.7	88%	0.883	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-55	122.3	167.2	-89.3	179.9	170	-178.2	0	107	K4 A8	K4-K6 PolarHBondContact O-N 3.23Å; K4-K6 VanDerWaalsContact O-N 3.13Å; K6-A8 PolarHBondContact O-N 3.25Å
7	E	39.8	Very low	62.6	Low	179 Å²	179	105.1 Å²	105.1	84%	0.836	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-55.2	124.2	165.9	-89	179	133.6	0	0	107.9	K5 S9	K5-E7 PolarHBondContact O-N 3.13Å; E7-S9 PolarHBondContact O-N 2.81Å
8	A	53.7	Low	64.1	Low	97 Å²	97	108.2 Å²	108.2	80%	0.802	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-63.5	129.9	173.6	0	0	0	0	0	108.4	K6 L10	K6-A8 PolarHBondContact O-N 3.25Å; A8-L10 PolarHBondContact O-N 3.19Å
9	S	63.3	Low	65.4	Low	93 Å²	93	106.2 Å²	106.2	65%	0.65	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-60.7	128.8	175.6	54.1	0	0	0	0	109	E7 Q11	E7-S9 PolarHBondContact O-N 2.81Å; S9-Q11 WeakPolarHBondContact CB-O 3.34Å; S9-Q11 PolarHBondContact O-N 3.4Å; S9-Q11 PolarHBondContact OG-O 2.89Å
10	L	79.7	Confident	66.6	Low	24 Å²	24	101.5 Å²	101.5	13%	0.126	56%	0.556	C	S	.	*	S	Bend	trans	-58.1	-39.4	-178.7	175.8	68.2	0	0	0	111.5	A8 V46 L49 R50 K53	A8-L10 PolarHBondContact O-N 3.19Å; L10-V46 HydrophobicContact CD2-CG1 4.01Å; L10-V46 WeakPolarHBondContact CD2-O 3.3Å; L10-L49 HydrophobicContact CD2-CB 4.25Å; L10-R50 HydrophobicContact CD1-CB 4.19Å; L10-R50 HydrophobicContact CD1-CG 4.4Å; L10-R50 HydrophobicContact CD2-CB 3.76Å; L10-R50 HydrophobicContact CD2-CG 4.49Å; L10-K53 HydrophobicContact CD1-CB 4.18Å; L10-K53 HydrophobicContact CD1-CD 3.57Å; L10-K53 PolarHBondContact O-NZ 3.45Å
11	Q	83.8	Confident	67.7	Low	29 Å²	29	101.9 Å²	101.9	14%	0.136	55%	0.554	C	S	.	*	S	Bend	trans	-120.1	142.5	-178.8	-57.5	174.3	-93.1	0	0	109.3	S9 L49 F63 T65	S9-Q11 WeakPolarHBondContact CB-O 3.34Å; S9-Q11 PolarHBondContact O-N 3.4Å; S9-Q11 PolarHBondContact OG-O 2.89Å; Q11-L49 HydrophobicContact CG-CD1 4.47Å; Q11-F63 CarbonylContact C-O 2.91Å; Q11-F63 VanDerWaalsContact CA-O 3.23Å; Q11-F63 WeakPolarHBondContact CA-O 3.43Å; Q11-F63 HydrophobicContact CB-CB 4.36Å; Q11-F63 HydrophobicContact CG-CB 3.75Å; Q11-T65 HydrophobicContact CB-CG2 4.22Å
12	A	87	Confident	70.2	Confident	52 Å²	52	96.8 Å²	96.8	43%	0.43	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.4	168.3	0	0	0	0	0	110.2	F63 A64 T65	A12-F63 PolarHBondContact N-O 2.95Å; A12-A64 HydrophobicContact CB-CB 4.34Å; A12-A64 CarbonylContact O-C 3.6Å; A12-A64 WeakPolarHBondContact O-CA 3.07Å; A12-T65 PolarHBondContact O-N 3.33Å
13	S	87.8	Confident	72.9	Confident	68 Å²	68	92.6 Å²	92.6	48%	0.476	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.4	178.1	-167.3	0	0	0	0	109.7
14	V	90.1	Very high	75.3	Confident	4 Å²	4	90.9 Å²	90.9	2%	0.024	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.9	179	-174.2	0	0	0	0	108.3	Q19 W20 M23 A64 T65 A66 E67 I71	V14-Q19 HydrophobicContact CG1-CB 3.85Å; V14-W20 HydrophobicContact CG1-CB 3.97Å; V14-W20 HydrophobicContact CG1-CE3 4.27Å; V14-M23 HydrophobicContact CG2-CB 4.36Å; V14-M23 HydrophobicContact CG2-CG 4.33Å; V14-A64 HydrophobicContact CG2-CB 4.29Å; V14-T65 PolarHBondContact N-O 2.99Å; V14-A66 HydrophobicContact CB-CB 4.24Å; V14-A66 WeakPolarHBondContact O-CA 3.41Å; V14-E67 PolarHBondContact O-N 2.66Å; V14-E67 VanDerWaalsContact O-N 3.12Å; V14-I71 HydrophobicContact CB-CD1 4.5Å; V14-I71 HydrophobicContact CG1-CD1 3.76Å
15	M	87.3	Confident	77.7	Confident	94 Å²	94	86.4 Å²	86.4	46%	0.463	45%	0.453	S	S	.	.			trans	-123.3	0.1	-172.1	-58.5	-172.2	73.5	0	0	113.4	S70	M15-S70 VanDerWaalsContact O-CB 3.28Å; M15-S70 WeakPolarHBondContact O-CB 2.8Å; M15-S70 PolarHBondContact O-OG 3.03Å
16	N	89.6	Confident	80	Confident	58 Å²	58	79 Å²	79	31%	0.31	43%	0.425	S	S	.	.	S	Bend	trans	-154.4	168.7	177	61.4	53.7	0	0	0	111.5	E18 Q19 W20	N16-E18 PolarHBondContact O-N 3.24Å; N16-E18 PolarHBondContact OD1-N 2.88Å; N16-Q19 PolarHBondContact O-N 3.29Å; N16-Q19 WeakPolarHBondContact OD1-CB 3.48Å; N16-Q19 VanDerWaalsContact OD1-CG 3.32Å; N16-Q19 WeakPolarHBondContact OD1-CG 3.37Å; N16-Q19 PolarHBondContact OD1-N 3.26Å; N16-W20 PolarHBondContact O-N 3.21Å; N16-W20 VanDerWaalsContact O-N 3.1Å
17	Q	89.8	Confident	82.5	Confident	48 Å²	48	75.9 Å²	75.9	22%	0.224	41%	0.412	C	S	.	.	H	α-helix	trans	-61.6	-37.2	-177.6	-175.4	60.9	33.6	0	0	113.6	W20 E21 D72	Q17-W20 WeakPolarHBondContact O-CB 3.46Å; Q17-W20 PolarHBondContact O-N 3.35Å; Q17-E21 PolarHBondContact NE2-OE1 3.03Å; Q17-E21 PolarHBondContact O-N 3.44Å; Q17-D72 VanDerWaalsContact OE1-N 3.14Å
18	E	88.8	Confident	84.7	Confident	161 Å²	161	67.3 Å²	67.3	75%	0.752	37%	0.372	S	S	*	.	H	α-helix	trans	-64.5	-43.8	178.5	-66	179.8	177.1	0	0	111.5	N16 W20 E21 E22	N16-E18 PolarHBondContact O-N 3.24Å; N16-E18 PolarHBondContact OD1-N 2.88Å; E18-W20 VanDerWaalsContact C-N 3.28Å; E18-W20 PolarHBondContact O-N 3.09Å; E18-E21 PolarHBondContact O-N 3.36Å; E18-E22 PolarHBondContact O-N 3.45Å
19	Q	89.3	Confident	86.5	Confident	70 Å²	70	62.7 Å²	62.7	33%	0.327	33%	0.334	S	S	.	.	H	α-helix	trans	-65.8	-32.1	175.5	-71.2	173.5	-8.2	0	0	112.2	V14 N16 M23	V14-Q19 HydrophobicContact CG1-CB 3.85Å; N16-Q19 PolarHBondContact O-N 3.29Å; N16-Q19 WeakPolarHBondContact OD1-CB 3.48Å; N16-Q19 VanDerWaalsContact OD1-CG 3.32Å; N16-Q19 WeakPolarHBondContact OD1-CG 3.37Å; N16-Q19 PolarHBondContact OD1-N 3.26Å; Q19-M23 VanDerWaalsContact O-CB 3.23Å; Q19-M23 WeakPolarHBondContact O-CB 3.33Å; Q19-M23 PolarHBondContact O-N 3.37Å
20	W	89.7	Confident	87.9	Confident	12 Å²	12	58.5 Å²	58.5	5%	0.045	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-48	175.4	176.5	-94	0	0	0	111	V14 N16 Q17 E18 M23 L24 V32 A66 I71 L74 L86 F88	V14-W20 HydrophobicContact CG1-CB 3.97Å; V14-W20 HydrophobicContact CG1-CE3 4.27Å; N16-W20 PolarHBondContact O-N 3.21Å; N16-W20 VanDerWaalsContact O-N 3.1Å; Q17-W20 WeakPolarHBondContact O-CB 3.46Å; Q17-W20 PolarHBondContact O-N 3.35Å; E18-W20 VanDerWaalsContact C-N 3.28Å; E18-W20 PolarHBondContact O-N 3.09Å; W20-M23 HydrophobicContact CD2-CE 3.72Å; W20-M23 HydrophobicContact CE3-CE 3.34Å; W20-M23 HydrophobicContact CG-CE 4.39Å; W20-M23 HydrophobicContact CH2-CE 4.05Å; W20-M23 HydrophobicContact CZ2-CE 4.39Å; W20-M23 HydrophobicContact CZ3-CE 3.54Å; W20-M23 PolarHBondContact O-N 2.58Å; W20-L24 WeakPolarHBondContact O-CG 3.4Å; W20-L24 PolarHBondContact O-N 2.87Å; W20-L24 VanDerWaalsContact O-N 3.11Å; W20-V32 HydrophobicContact CZ3-CG1 4.05Å; W20-A66 HydrophobicContact CE3-CB 4.19Å; W20-A66 HydrophobicContact CZ3-CB 3.9Å; W20-I71 HydrophobicContact CB-CG2 3.92Å; W20-I71 HydrophobicContact CD2-CG2 3.96Å; W20-I71 HydrophobicContact CE3-CD1 4.14Å; W20-I71 HydrophobicContact CE3-CG2 4.25Å; W20-I71 HydrophobicContact CG-CG2 3.79Å; W20-L74 HydrophobicContact CE3-CD1 4.02Å; W20-L74 HydrophobicContact CE3-CG 4.35Å; W20-L74 HydrophobicContact CH2-CD1 4.16Å; W20-L74 HydrophobicContact CH2-CD2 3.58Å; W20-L74 HydrophobicContact CH2-CG 4.07Å; W20-L74 HydrophobicContact CZ2-CD2 3.97Å; W20-L74 HydrophobicContact CZ2-CG 4.39Å; W20-L74 HydrophobicContact CZ3-CD1 3.66Å; W20-L74 HydrophobicContact CZ3-CD2 3.99Å; W20-L74 HydrophobicContact CZ3-CG 4.02Å; W20-L86 HydrophobicContact CH2-CD1 4.27Å; W20-F88 AromaticContact CH2-CE2 3.62Å; W20-F88 HydrophobicContact CH2-CE2 3.62Å; W20-F88 AromaticContact CH2-CZ 3.77Å; W20-F88 HydrophobicContact CH2-CZ 3.77Å; W20-F88 HydrophobicContact CZ2-CE1 4.35Å; W20-F88 AromaticContact CZ2-CE2 3.9Å; W20-F88 HydrophobicContact CZ2-CE2 3.9Å; W20-F88 AromaticContact CZ2-CZ 3.58Å; W20-F88 HydrophobicContact CZ2-CZ 3.58Å
21	E	88.6	Confident	88.4	Confident	110 Å²	110	57.5 Å²	57.5	51%	0.514	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-43.2	177.7	-71.6	172.1	-165.4	0	0	112.1	Q17 E18 M23 L24 T25	Q17-E21 PolarHBondContact NE2-OE1 3.03Å; Q17-E21 PolarHBondContact O-N 3.44Å; E18-E21 PolarHBondContact O-N 3.36Å; E21-M23 VanDerWaalsContact C-N 3.32Å; E21-M23 PolarHBondContact O-N 3.05Å; E21-L24 PolarHBondContact O-N 3.39Å; E21-T25 PolarHBondContact O-N 3.21Å
22	E	87.6	Confident	88.8	Confident	137 Å²	137	56.1 Å²	56.1	64%	0.64	29%	0.293	S	S	*	.	H	α-helix	trans	-58.5	-45.2	174.9	-174	179.1	-171.5	0	0	111.3	E18 L24 T25	E18-E22 PolarHBondContact O-N 3.45Å; E22-L24 VanDerWaalsContact C-N 3.33Å; E22-L24 PolarHBondContact O-N 3.32Å; E22-T25 PolarHBondContact O-N 3.32Å; E22-T25 PolarHBondContact O-OG1 2.88Å
23	M	91	Very high	88.9	Confident	16 Å²	16	53.8 Å²	53.8	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-37.5	179.8	175.7	-90.4	-51	0	0	112.5	V14 Q19 W20 E21 T25 T26 T30 V32 A64	V14-M23 HydrophobicContact CG2-CB 4.36Å; V14-M23 HydrophobicContact CG2-CG 4.33Å; Q19-M23 VanDerWaalsContact O-CB 3.23Å; Q19-M23 WeakPolarHBondContact O-CB 3.33Å; Q19-M23 PolarHBondContact O-N 3.37Å; W20-M23 HydrophobicContact CD2-CE 3.72Å; W20-M23 HydrophobicContact CE3-CE 3.34Å; W20-M23 HydrophobicContact CG-CE 4.39Å; W20-M23 HydrophobicContact CH2-CE 4.05Å; W20-M23 HydrophobicContact CZ2-CE 4.39Å; W20-M23 HydrophobicContact CZ3-CE 3.54Å; W20-M23 PolarHBondContact O-N 2.58Å; E21-M23 VanDerWaalsContact C-N 3.32Å; E21-M23 PolarHBondContact O-N 3.05Å; M23-T25 PolarHBondContact O-N 2.77Å; M23-T26 WeakPolarHBondContact O-CB 3.37Å; M23-T26 PolarHBondContact O-N 2.89Å; M23-T26 PolarHBondContact O-OG1 3.46Å; M23-T30 HydrophobicContact CG-CG2 4.05Å; M23-T30 HydrophobicContact SD-CG2 3.57Å; M23-T30 VanDerWaalsContact SD-CG2 3.57Å; M23-V32 HydrophobicContact CE-CG2 4.1Å; M23-V32 HydrophobicContact SD-CG2 3.87Å; M23-A64 HydrophobicContact CG-CB 4.46Å
24	L	87.4	Confident	89	Confident	38 Å²	38	50.9 Å²	50.9	20%	0.199	25%	0.252	C	S	.	.	H	α-helix	trans	-65.7	-21.3	175.5	-69	179.8	0	0	0	113.8	W20 E21 E22 T26 F88 G91	W20-L24 WeakPolarHBondContact O-CG 3.4Å; W20-L24 PolarHBondContact O-N 2.87Å; W20-L24 VanDerWaalsContact O-N 3.11Å; E21-L24 PolarHBondContact O-N 3.39Å; E22-L24 VanDerWaalsContact C-N 3.33Å; E22-L24 PolarHBondContact O-N 3.32Å; L24-T26 PolarHBondContact O-N 2.97Å; L24-F88 HydrophobicContact CD2-CB 4.1Å; L24-F88 HydrophobicContact CD2-CD1 3.35Å; L24-F88 HydrophobicContact CD2-CD2 4.21Å; L24-F88 HydrophobicContact CD2-CE1 3.72Å; L24-F88 HydrophobicContact CD2-CG 3.62Å; L24-F88 HydrophobicContact CD2-CZ 4.29Å; L24-G91 VanDerWaalsContact O-CA 3.24Å; L24-G91 WeakPolarHBondContact O-CA 3.32Å; L24-G91 PolarHBondContact O-N 3.35Å
25	T	85.8	Confident	88.7	Confident	116 Å²	116	51.8 Å²	51.8	71%	0.712	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-7.4	174.2	71.6	0	0	0	0	113.6	E21 E22 M23 K27	E21-T25 PolarHBondContact O-N 3.21Å; E22-T25 PolarHBondContact O-N 3.32Å; E22-T25 PolarHBondContact O-OG1 2.88Å; M23-T25 PolarHBondContact O-N 2.77Å; T25-K27 PolarHBondContact O-N 2.87Å
26	T	86.2	Confident	88.5	Confident	49 Å²	49	47.5 Å²	47.5	30%	0.301	23%	0.234	S	C	.	.	S	Bend	trans	-65.4	131.5	-178.5	-51	0	0	0	0	110.7	M23 L24 G28 H62	M23-T26 WeakPolarHBondContact O-CB 3.37Å; M23-T26 PolarHBondContact O-N 2.89Å; M23-T26 PolarHBondContact O-OG1 3.46Å; L24-T26 PolarHBondContact O-N 2.97Å; T26-G28 PolarHBondContact O-N 3.26Å; T26-H62 WeakPolarHBondContact CG2-CD2 3.44Å
27	K	85.9	Confident	88.2	Confident	138 Å²	138	51.3 Å²	51.3	60%	0.6	25%	0.25	S	S	*	.	S	Bend	trans	-74.9	125.8	178.6	-169.5	-178.6	179.9	-177.1	0	110.8	T25 L60 H62 M120	T25-K27 PolarHBondContact O-N 2.87Å; K27-L60 HydrophobicContact CG-CD2 4.37Å; K27-H62 PolarHBondContact O-NE2 3.29Å; K27-M120 HydrophobicContact CG-CE 3.72Å; K27-M120 HydrophobicContact CG-SD 4.49Å
28	G	87.2	Confident	87.5	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	116.4	-160.2	178	0	0	0	0	0	112.2	T26 L60	T26-G28 PolarHBondContact O-N 3.26Å; G28-L60 CarbonylContact C-O 3.47Å; G28-L60 VanDerWaalsContact CA-O 3.3Å; G28-L60 WeakPolarHBondContact CA-O 3.27Å
29	L	90.7	Very high	86.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.3	176.1	-176.6	74.1	0	0	0	109.7	V31 L60 L61 H62 F87 F88 V94 E112 L113	L29-V31 HydrophobicContact CD2-CG2 4.27Å; L29-V31 HydrophobicContact CG-CG2 4.37Å; L29-L60 PolarHBondContact N-O 2.56Å; L29-L61 HydrophobicContact CD2-CD1 4.12Å; L29-H62 PolarHBondContact O-N 2.98Å; L29-F87 HydrophobicContact CD1-CB 4.28Å; L29-F87 HydrophobicContact CD1-CD1 4.48Å; L29-F87 HydrophobicContact CD2-CD1 4.34Å; L29-F88 CarbonylContact C-O 3.58Å; L29-F88 WeakPolarHBondContact CA-O 3.49Å; L29-V94 HydrophobicContact CD1-CG2 3.94Å; L29-E112 HydrophobicContact CD1-CB 3.95Å; L29-E112 HydrophobicContact CD2-CB 3.86Å; L29-L113 HydrophobicContact CB-CD1 4.13Å; L29-L113 HydrophobicContact CD2-CB 4.03Å
30	T	92.1	Very high	86.1	Confident	5 Å²	5	50.5 Å²	50.5	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	122.8	173	-55	0	0	0	0	110.4	M23 V32 H62 A64 F88	M23-T30 HydrophobicContact CG-CG2 4.05Å; M23-T30 HydrophobicContact SD-CG2 3.57Å; M23-T30 VanDerWaalsContact SD-CG2 3.57Å; T30-V32 HydrophobicContact CG2-CG2 4.02Å; T30-H62 WeakPolarHBondContact CA-O 3.46Å; T30-H62 HydrophobicContact CG2-CB 4.2Å; T30-A64 HydrophobicContact CG2-CB 4.33Å; T30-F88 PolarHBondContact N-O 3.17Å; T30-F88 PolarHBondContact O-N 3.37Å
31	V	91.1	Very high	85.5	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.4	177.8	-174.4	0	0	0	0	108.8	L29 L61 H62 F63 A64 L86 F87 L105 I109	L29-V31 HydrophobicContact CD2-CG2 4.27Å; L29-V31 HydrophobicContact CG-CG2 4.37Å; V31-L61 HydrophobicContact CG2-CD1 4.23Å; V31-H62 PolarHBondContact N-O 3.49Å; V31-F63 HydrophobicContact CB-CD1 3.8Å; V31-F63 HydrophobicContact CB-CE1 4.03Å; V31-F63 HydrophobicContact CG1-CD1 4.38Å; V31-F63 HydrophobicContact CG2-CD1 4.3Å; V31-F63 HydrophobicContact CG2-CE1 4.09Å; V31-F63 CarbonylContact O-C 3.59Å; V31-F63 WeakPolarHBondContact O-CA 3.12Å; V31-A64 PolarHBondContact O-N 3.01Å; V31-L86 CarbonylContact C-O 3.58Å; V31-L86 WeakPolarHBondContact CA-O 3.23Å; V31-F87 HydrophobicContact CG1-CD1 4.37Å; V31-F87 HydrophobicContact CG1-CE1 4.09Å; V31-F87 HydrophobicContact CG1-CZ 4.23Å; V31-F87 HydrophobicContact CG2-CD1 3.79Å; V31-F87 HydrophobicContact CG2-CE1 3.89Å; V31-L105 HydrophobicContact CG1-CD1 4.35Å; V31-I109 HydrophobicContact CG2-CG1 4.09Å
32	V	91.7	Very high	84.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.4	-171.9	-168.1	0	0	0	0	110.5	W20 M23 T30 V34 A64 A66 F85 L86 F88	W20-V32 HydrophobicContact CZ3-CG1 4.05Å; M23-V32 HydrophobicContact CE-CG2 4.1Å; M23-V32 HydrophobicContact SD-CG2 3.87Å; T30-V32 HydrophobicContact CG2-CG2 4.02Å; V32-V34 HydrophobicContact CG1-CG2 4.28Å; V32-A64 WeakPolarHBondContact CA-O 3.4Å; V32-A64 HydrophobicContact CG1-CB 4.33Å; V32-A64 HydrophobicContact CG2-CB 4.3Å; V32-A66 HydrophobicContact CG1-CB 3.51Å; V32-F85 CarbonylContact O-C 3.47Å; V32-F85 VanDerWaalsContact O-CA 3.29Å; V32-F85 WeakPolarHBondContact O-CA 3.23Å; V32-L86 HydrophobicContact CB-CB 4.37Å; V32-L86 PolarHBondContact N-O 2.87Å; V32-L86 PolarHBondContact O-N 3.13Å; V32-F88 HydrophobicContact CG2-CD2 3.99Å; V32-F88 HydrophobicContact CG2-CE2 4.29Å
33	D	90.5	Very high	84.3	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	107.9	168.9	178.4	21	0	0	0	109.4	C42 A64 T65 A66 F85	D33-C42 WeakPolarHBondContact OD2-CB 3.36Å; D33-C42 PolarHBondContact OD2-N 2.89Å; D33-A64 PolarHBondContact N-O 3.45Å; D33-T65 HydrophobicContact CB-CG2 4.23Å; D33-T65 CarbonylContact O-C 3.52Å; D33-T65 VanDerWaalsContact O-CA 3.27Å; D33-T65 WeakPolarHBondContact O-CA 3.28Å; D33-A66 PolarHBondContact O-N 2.89Å; D33-F85 HydrophobicContact CB-CD1 4Å; D33-F85 HydrophobicContact CB-CE1 3.83Å
34	V	88.3	Confident	83.4	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.2	-178	-179.4	0	0	0	0	109.8	V32 A66 A68 L74 T84 L86	V32-V34 HydrophobicContact CG1-CG2 4.28Å; V34-A66 WeakPolarHBondContact CA-O 3.4Å; V34-A68 HydrophobicContact CG1-CB 3.82Å; V34-L74 HydrophobicContact CG1-CD1 4.08Å; V34-L74 HydrophobicContact CG2-CD1 4.23Å; V34-L74 HydrophobicContact CG2-CD2 4.4Å; V34-T84 PolarHBondContact N-O 2.89Å; V34-L86 HydrophobicContact CG2-CD1 3.6Å; V34-L86 HydrophobicContact CG2-CG 3.83Å
35	Y	85.5	Confident	82.8	Confident	22 Å²	22	54.1 Å²	54.1	9%	0.086	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	161	-177	69.6	-88.8	0	0	0	112.3	G40 P41 A66 E67 A68	Y35-G40 WeakPolarHBondContact CB-O 2.87Å; Y35-G40 VanDerWaalsContact CD2-C 3.42Å; Y35-G40 VanDerWaalsContact CD2-CA 3.44Å; Y35-P41 HydrophobicContact CD1-CB 3.74Å; Y35-P41 HydrophobicContact CD1-CG 4.45Å; Y35-P41 HydrophobicContact CE1-CB 4.01Å; Y35-P41 HydrophobicContact CE1-CG 4.33Å; Y35-P41 HydrophobicContact CG-CB 4.19Å; Y35-A66 VanDerWaalsContact CD1-O 3.3Å; Y35-A66 WeakPolarHBondContact CD1-O 3.39Å; Y35-A66 PolarHBondContact N-O 2.78Å; Y35-E67 HydrophobicContact CE1-CB 4.47Å; Y35-E67 HydrophobicContact CE2-CB 3.94Å; Y35-E67 HydrophobicContact CE2-CG 4.05Å; Y35-E67 WeakPolarHBondContact O-CA 3.14Å; Y35-A68 PolarHBondContact O-N 3.04Å
36	Q	82.3	Confident	82.6	Confident	5 Å²	5	50.7 Å²	50.7	2%	0.023	26%	0.259	C	S	.	.			trans	-92.9	147.9	173.2	-47.8	-62	-61.2	0	0	110.2	W38 C39 G40 D69 Y77 K80	Q36-W38 HydrophobicContact CB-CD2 4.42Å; Q36-W38 HydrophobicContact CB-CG 4.27Å; Q36-W38 HydrophobicContact CB-CZ2 4.49Å; Q36-W38 VanDerWaalsContact CB-NE1 3.27Å; Q36-W38 HydrophobicContact CG-CZ2 4.33Å; Q36-W38 PolarHBondContact O-N 3.47Å; Q36-C39 PolarHBondContact N-SG 3.35Å; Q36-C39 PolarHBondContact O-N 3.12Å; Q36-C39 PolarHBondContact O-SG 2.89Å; Q36-G40 PolarHBondContact O-N 3.45Å; Q36-D69 PolarHBondContact OE1-OD1 3.23Å; Q36-Y77 PolarHBondContact NE2-O 3.33Å; Q36-K80 VanDerWaalsContact CG-O 3.25Å; Q36-K80 WeakPolarHBondContact CG-O 3.4Å
37	Q	82.2	Confident	82.3	Confident	138 Å²	138	52.4 Å²	52.4	65%	0.645	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-35.9	-178.2	-172.8	175.5	56.3	0	0	112.7	E67 D69	Q37-E67 HydrophobicContact CB-CG 4.17Å; Q37-E67 WeakPolarHBondContact CB-OE1 3.43Å; Q37-E67 VanDerWaalsContact CG-OE1 3.3Å; Q37-E67 WeakPolarHBondContact CG-OE1 3.19Å; Q37-E67 PolarHBondContact NE2-OE1 3.07Å; Q37-E67 VanDerWaalsContact NE2-OE1 3.07Å; Q37-D69 HydrophobicContact CB-CB 4.42Å; Q37-D69 WeakPolarHBondContact CB-OD2 3.38Å; Q37-D69 PolarHBondContact N-OD2 2.86Å
38	W	76.7	Confident	82.2	Confident	169 Å²	169	47 Å²	47	64%	0.64	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.9	-177.8	61.3	-92.9	0	0	0	114.7	Q36 C81	Q36-W38 HydrophobicContact CB-CD2 4.42Å; Q36-W38 HydrophobicContact CB-CG 4.27Å; Q36-W38 HydrophobicContact CB-CZ2 4.49Å; Q36-W38 VanDerWaalsContact CB-NE1 3.27Å; Q36-W38 HydrophobicContact CG-CZ2 4.33Å; Q36-W38 PolarHBondContact O-N 3.47Å; W38-C81 HydrophobicContact CH2-CB 4Å; W38-C81 HydrophobicContact CZ2-CB 4.47Å
39	C	74.6	Confident	82.1	Confident	66 Å²	66	47 Å²	47	45%	0.446	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-27.4	-179.6	69.6	0	0	0	0	113.5	Q36	Q36-C39 PolarHBondContact N-SG 3.35Å; Q36-C39 PolarHBondContact O-N 3.12Å; Q36-C39 PolarHBondContact O-SG 2.89Å
40	G	74.1	Confident	81.8	Confident	26 Å²	26	52.8 Å²	52.8	27%	0.268	27%	0.273	S	S	.	.			trans	70.8	170.7	-177.4	0	0	0	0	0	113.7	Y35 Q36	Y35-G40 WeakPolarHBondContact CB-O 2.87Å; Y35-G40 VanDerWaalsContact CD2-C 3.42Å; Y35-G40 VanDerWaalsContact CD2-CA 3.44Å; Q36-G40 PolarHBondContact O-N 3.45Å
41	P	76.7	Confident	81.3	Confident	55 Å²	55	57.9 Å²	57.9	36%	0.357	30%	0.295	S	S	.	.	S	Bend	trans	-68.3	155.7	-176.3	27.4	-34.6	0	0	0	112.6	Y35 R43 T65	Y35-P41 HydrophobicContact CD1-CB 3.74Å; Y35-P41 HydrophobicContact CD1-CG 4.45Å; Y35-P41 HydrophobicContact CE1-CB 4.01Å; Y35-P41 HydrophobicContact CE1-CG 4.33Å; Y35-P41 HydrophobicContact CG-CB 4.19Å; P41-R43 PolarHBondContact O-N 3.2Å; P41-T65 HydrophobicContact CB-CG2 3.76Å
42	C	73.9	Confident	81	Confident	26 Å²	26	57.9 Å²	57.9	18%	0.176	29%	0.294	C	S	.	.			trans	-71.1	101.3	-174.6	-176	0	0	0	0	111.4	D33 A44 V45	D33-C42 WeakPolarHBondContact OD2-CB 3.36Å; D33-C42 PolarHBondContact OD2-N 2.89Å; C42-A44 PolarHBondContact O-N 2.99Å; C42-V45 HydrophobicContact CB-CG2 3.91Å; C42-V45 VanDerWaalsContact O-CG2 3.23Å; C42-V45 WeakPolarHBondContact O-CG2 3.45Å; C42-V45 PolarHBondContact O-N 3.48Å
43	R	77.3	Confident	80.6	Confident	222 Å²	222	61.4 Å²	61.4	84%	0.838	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.8	180	-62.5	-175.9	70.6	179.5	2	113.4	P41 V45	P41-R43 PolarHBondContact O-N 3.2Å; R43-V45 VanDerWaalsContact C-N 3.33Å; R43-V45 PolarHBondContact O-N 2.91Å
44	A	70.6	Confident	80.3	Confident	78 Å²	78	66.5 Å²	66.5	65%	0.645	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-28.7	-176.8	0	0	0	0	0	113.1	C42	C42-A44 PolarHBondContact O-N 2.99Å
45	V	76.2	Confident	80.1	Confident	8 Å²	8	71.6 Å²	71.6	5%	0.048	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.5	-177.7	-64.8	0	0	0	0	113.7	C42 R43 S47 L48 L49 F85 L105	C42-V45 HydrophobicContact CB-CG2 3.91Å; C42-V45 VanDerWaalsContact O-CG2 3.23Å; C42-V45 WeakPolarHBondContact O-CG2 3.45Å; C42-V45 PolarHBondContact O-N 3.48Å; R43-V45 VanDerWaalsContact C-N 3.33Å; R43-V45 PolarHBondContact O-N 2.91Å; V45-S47 VanDerWaalsContact C-N 3.28Å; V45-S47 PolarHBondContact O-N 3.44Å; V45-L48 WeakPolarHBondContact O-CB 3.28Å; V45-L48 PolarHBondContact O-N 3.13Å; V45-L49 HydrophobicContact CG2-CD1 4.41Å; V45-L49 WeakPolarHBondContact O-CG 3.35Å; V45-L49 PolarHBondContact O-N 2.92Å; V45-F85 HydrophobicContact CB-CZ 4.34Å; V45-F85 HydrophobicContact CG1-CE1 4.45Å; V45-F85 HydrophobicContact CG1-CZ 3.78Å; V45-F85 HydrophobicContact CG2-CE1 3.86Å; V45-F85 HydrophobicContact CG2-CZ 3.9Å; V45-L105 HydrophobicContact CB-CD2 4.38Å; V45-L105 HydrophobicContact CG1-CD2 4.12Å
46	V	80.9	Confident	80	Confident	44 Å²	44	73.6 Å²	73.6	27%	0.267	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-38	-176.3	177.8	0	0	0	0	112.5	L10 R50	L10-V46 HydrophobicContact CD2-CG1 4.01Å; L10-V46 WeakPolarHBondContact CD2-O 3.3Å; V46-R50 WeakPolarHBondContact O-CB 3.4Å; V46-R50 PolarHBondContact O-N 3.05Å; V46-R50 VanDerWaalsContact O-N 3.13Å
47	S	80.8	Confident	79.9	Confident	85 Å²	85	78 Å²	78	59%	0.594	40%	0.403	S	S	*	.	H	α-helix	trans	-68	-39.4	176.8	55.5	0	0	0	0	112	V45 K51	V45-S47 VanDerWaalsContact C-N 3.28Å; V45-S47 PolarHBondContact O-N 3.44Å; S47-K51 PolarHBondContact O-N 3.03Å
48	L	82.8	Confident	79.9	Confident	24 Å²	24	73 Å²	73	13%	0.126	38%	0.381	C	S	.	.	H	α-helix	trans	-65.6	-51	176.2	177	67.3	0	0	0	111.4	V45 R50 K51 I52 A102 L105	V45-L48 WeakPolarHBondContact O-CB 3.28Å; V45-L48 PolarHBondContact O-N 3.13Å; L48-R50 PolarHBondContact O-N 3.37Å; L48-K51 WeakPolarHBondContact O-CB 3.39Å; L48-K51 PolarHBondContact O-N 3.31Å; L48-I52 HydrophobicContact CD1-CD1 3.95Å; L48-I52 HydrophobicContact CD1-CG1 4.24Å; L48-I52 HydrophobicContact CD2-CD1 4.42Å; L48-I52 HydrophobicContact CG-CD1 3.78Å; L48-I52 HydrophobicContact CG-CG1 4.43Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 3.43Å; L48-A102 HydrophobicContact CD2-CB 3.67Å; L48-A102 WeakPolarHBondContact CD2-O 3.47Å; L48-L105 HydrophobicContact CD2-CD2 4.25Å
49	L	85.5	Confident	80.2	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-36.2	179.3	-60.9	-176.2	0	0	0	111.5	L10 Q11 V45 K53 F63 L105 I109	L10-L49 HydrophobicContact CD2-CB 4.25Å; Q11-L49 HydrophobicContact CG-CD1 4.47Å; V45-L49 HydrophobicContact CG2-CD1 4.41Å; V45-L49 WeakPolarHBondContact O-CG 3.35Å; V45-L49 PolarHBondContact O-N 2.92Å; L49-K53 WeakPolarHBondContact O-CB 3.45Å; L49-K53 PolarHBondContact O-N 2.88Å; L49-F63 HydrophobicContact CB-CD1 4.38Å; L49-F63 HydrophobicContact CB-CE1 4.38Å; L49-F63 HydrophobicContact CB-CE2 4.47Å; L49-F63 HydrophobicContact CB-CG 4.48Å; L49-F63 HydrophobicContact CB-CZ 4.39Å; L49-F63 HydrophobicContact CD1-CD1 3.97Å; L49-F63 HydrophobicContact CD1-CE1 4.5Å; L49-F63 HydrophobicContact CD1-CG 4.34Å; L49-F63 HydrophobicContact CD2-CD1 3.88Å; L49-F63 HydrophobicContact CD2-CE1 3.57Å; L49-F63 HydrophobicContact CD2-CZ 4.16Å; L49-F63 HydrophobicContact CG-CD1 4.28Å; L49-F63 HydrophobicContact CG-CE1 4.34Å; L49-L105 HydrophobicContact CD2-CD2 4.17Å; L49-I109 HydrophobicContact CD2-CD1 3.89Å
50	R	83.7	Confident	80.8	Confident	121 Å²	121	70.9 Å²	70.9	46%	0.457	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-44.4	174	-169.5	178.8	-60.6	-108.4	-1.7	112.1	L10 V46 L48 K53 N54	L10-R50 HydrophobicContact CD1-CB 4.19Å; L10-R50 HydrophobicContact CD1-CG 4.4Å; L10-R50 HydrophobicContact CD2-CB 3.76Å; L10-R50 HydrophobicContact CD2-CG 4.49Å; V46-R50 WeakPolarHBondContact O-CB 3.4Å; V46-R50 PolarHBondContact O-N 3.05Å; V46-R50 VanDerWaalsContact O-N 3.13Å; L48-R50 PolarHBondContact O-N 3.37Å; R50-K53 PolarHBondContact O-N 2.84Å; R50-N54 VanDerWaalsContact O-CG 3.23Å; R50-N54 PolarHBondContact O-N 3.25Å; R50-N54 VanDerWaalsContact O-N 3.09Å; R50-N54 PolarHBondContact O-ND2 2.93Å
51	K	82.9	Confident	81.6	Confident	112 Å²	112	69.8 Å²	69.8	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-50	176.7	-178.3	-179.5	171.3	-174.6	0	110.3	S47 L48 K53 N54 E55	S47-K51 PolarHBondContact O-N 3.03Å; L48-K51 WeakPolarHBondContact O-CB 3.39Å; L48-K51 PolarHBondContact O-N 3.31Å; K51-K53 PolarHBondContact O-N 3.06Å; K51-N54 PolarHBondContact O-N 3.01Å; K51-E55 WeakPolarHBondContact CE-OE1 3.46Å; K51-E55 HydrophobicContact CG-CG 4.38Å; K51-E55 WeakPolarHBondContact CG-OE1 3.36Å; K51-E55 IonicContact NZ-OE1 3.26Å; K51-E55 WeakPolarHBondContact O-CB 3.42Å; K51-E55 WeakPolarHBondContact O-CG 3.41Å; K51-E55 PolarHBondContact O-N 3.33Å
52	I	84.1	Confident	82.2	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-45.2	178.5	-65	169.7	0	0	0	111.3	L48 N54 E55 L56 L61 F63 Q106 I109	L48-I52 HydrophobicContact CD1-CD1 3.95Å; L48-I52 HydrophobicContact CD1-CG1 4.24Å; L48-I52 HydrophobicContact CD2-CD1 4.42Å; L48-I52 HydrophobicContact CG-CD1 3.78Å; L48-I52 HydrophobicContact CG-CG1 4.43Å; L48-I52 WeakPolarHBondContact O-CG1 3.38Å; L48-I52 PolarHBondContact O-N 3.43Å; I52-N54 VanDerWaalsContact C-N 3.28Å; I52-N54 PolarHBondContact O-N 3.1Å; I52-E55 PolarHBondContact O-N 2.75Å; I52-L56 HydrophobicContact CG2-CD1 3.58Å; I52-L56 HydrophobicContact CG2-CG 4.18Å; I52-L56 WeakPolarHBondContact O-CB 3.21Å; I52-L56 PolarHBondContact O-N 3.44Å; I52-L61 HydrophobicContact CG2-CD2 4.19Å; I52-F63 HydrophobicContact CG2-CZ 4.41Å; I52-Q106 HydrophobicContact CD1-CB 3.82Å; I52-Q106 HydrophobicContact CD1-CG 3.81Å; I52-Q106 HydrophobicContact CG1-CG 4.05Å; I52-I109 HydrophobicContact CD1-CD1 3.79Å; I52-I109 HydrophobicContact CG2-CG2 3.93Å
53	K	83.9	Confident	83.1	Confident	74 Å²	74	68.9 Å²	68.9	32%	0.322	35%	0.354	S	S	.	.	H	α-helix	trans	-59	-40.9	178.1	-163.6	170.2	-169.2	167.4	0	112.1	L10 L49 R50 K51 S57 F63	L10-K53 HydrophobicContact CD1-CB 4.18Å; L10-K53 HydrophobicContact CD1-CD 3.57Å; L10-K53 PolarHBondContact O-NZ 3.45Å; L49-K53 WeakPolarHBondContact O-CB 3.45Å; L49-K53 PolarHBondContact O-N 2.88Å; R50-K53 PolarHBondContact O-N 2.84Å; K51-K53 PolarHBondContact O-N 3.06Å; K53-S57 WeakPolarHBondContact O-CA 3.45Å; K53-S57 PolarHBondContact O-N 2.95Å; K53-F63 HydrophobicContact CB-CE2 3.97Å; K53-F63 HydrophobicContact CD-CD2 4.29Å; K53-F63 HydrophobicContact CD-CE2 4.37Å; K53-F63 HydrophobicContact CG-CE2 4.31Å
54	N	83.2	Confident	83.7	Confident	111 Å²	111	58.4 Å²	58.4	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-73	-39.4	178.5	-68.4	-17.4	0	0	0	112.1	R50 K51 I52 S57	R50-N54 VanDerWaalsContact O-CG 3.23Å; R50-N54 PolarHBondContact O-N 3.25Å; R50-N54 VanDerWaalsContact O-N 3.09Å; R50-N54 PolarHBondContact O-ND2 2.93Å; K51-N54 PolarHBondContact O-N 3.01Å; I52-N54 VanDerWaalsContact C-N 3.28Å; I52-N54 PolarHBondContact O-N 3.1Å; N54-S57 PolarHBondContact O-OG 3.43Å
55	E	83.7	Confident	84.7	Confident	114 Å²	114	55.2 Å²	55.2	53%	0.533	29%	0.287	S	S	.	.	H	α-helix	trans	-68.9	-44.6	-179.8	-76.3	176.6	172.1	0	0	112.4	K51 I52	K51-E55 WeakPolarHBondContact CE-OE1 3.46Å; K51-E55 HydrophobicContact CG-CG 4.38Å; K51-E55 WeakPolarHBondContact CG-OE1 3.36Å; K51-E55 IonicContact NZ-OE1 3.26Å; K51-E55 WeakPolarHBondContact O-CB 3.42Å; K51-E55 WeakPolarHBondContact O-CG 3.41Å; K51-E55 PolarHBondContact O-N 3.33Å; I52-E55 PolarHBondContact O-N 2.75Å
56	L	83	Confident	85.3	Confident	64 Å²	64	54.9 Å²	54.9	34%	0.335	29%	0.285	S	S	.	.	H	α-helix	trans	-80.5	-33.5	179.7	-62.8	178.1	0	0	0	112.2	I52 D58 L61 I109 V110 L113	I52-L56 HydrophobicContact CG2-CD1 3.58Å; I52-L56 HydrophobicContact CG2-CG 4.18Å; I52-L56 WeakPolarHBondContact O-CB 3.21Å; I52-L56 PolarHBondContact O-N 3.44Å; L56-D58 HydrophobicContact CB-CB 4.49Å; L56-D58 PolarHBondContact O-N 3.14Å; L56-L61 HydrophobicContact CD1-CD2 3.81Å; L56-I109 HydrophobicContact CD1-CG2 4.31Å; L56-V110 HydrophobicContact CD1-CG2 4.24Å; L56-V110 HydrophobicContact CD2-CG2 4.39Å; L56-L113 HydrophobicContact CD1-CD2 4.02Å
57	S	80.3	Confident	85.8	Confident	96 Å²	96	53.4 Å²	53.4	67%	0.671	28%	0.275	S	S	*	.			trans	44.1	48	-178.9	-71.5	0	0	0	0	112.9	K53 N54	K53-S57 WeakPolarHBondContact O-CA 3.45Å; K53-S57 PolarHBondContact O-N 2.95Å; N54-S57 PolarHBondContact O-OG 3.43Å
58	D	82.9	Confident	86	Confident	33 Å²	33	49.4 Å²	49.4	18%	0.176	25%	0.247	C	C	.	.			trans	-109.2	126.4	-172	-156.5	-63.7	0	0	0	112.4	L56 L60 L61 L113 K117	L56-D58 HydrophobicContact CB-CB 4.49Å; L56-D58 PolarHBondContact O-N 3.14Å; D58-L60 PolarHBondContact O-N 3.22Å; D58-L60 VanDerWaalsContact OD1-CB 3.28Å; D58-L60 WeakPolarHBondContact OD1-CB 3.19Å; D58-L60 PolarHBondContact OD1-N 3.44Å; D58-L61 HydrophobicContact CB-CB 4.32Å; D58-L61 PolarHBondContact O-N 3.07Å; D58-L113 HydrophobicContact CB-CD2 4.1Å; D58-K117 WeakPolarHBondContact OD2-CE 3.38Å; D58-K117 IonicContact OD2-NZ 3.85Å; D58-K117 PolarHBondContact OD2-NZ 3.23Å
59	D	83.7	Confident	86.1	Confident	151 Å²	151	51.1 Å²	51.1	81%	0.807	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14	-179.9	-69.5	-28	0	0	0	113.2	H62	D59-H62 PolarHBondContact O-CE1 3.48Å; D59-H62 PolarHBondContact O-NE2 3.43Å
60	L	87.5	Confident	86.1	Confident	40 Å²	40	53.1 Å²	53.1	21%	0.209	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.4	176.4	-59.7	174.8	0	0	0	113	K27 G28 L29 D58 L113 K117	K27-L60 HydrophobicContact CG-CD2 4.37Å; G28-L60 CarbonylContact C-O 3.47Å; G28-L60 VanDerWaalsContact CA-O 3.3Å; G28-L60 WeakPolarHBondContact CA-O 3.27Å; L29-L60 PolarHBondContact N-O 2.56Å; D58-L60 PolarHBondContact O-N 3.22Å; D58-L60 VanDerWaalsContact OD1-CB 3.28Å; D58-L60 WeakPolarHBondContact OD1-CB 3.19Å; D58-L60 PolarHBondContact OD1-N 3.44Å; L60-L113 HydrophobicContact CB-CD1 4.14Å; L60-K117 HydrophobicContact CD1-CG 3.98Å
61	L	89.3	Confident	86.2	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.4	179.9	-179.3	61.9	0	0	0	111.8	L29 V31 I52 L56 D58 F63 I109 L113	L29-L61 HydrophobicContact CD2-CD1 4.12Å; V31-L61 HydrophobicContact CG2-CD1 4.23Å; I52-L61 HydrophobicContact CG2-CD2 4.19Å; L56-L61 HydrophobicContact CD1-CD2 3.81Å; D58-L61 HydrophobicContact CB-CB 4.32Å; D58-L61 PolarHBondContact O-N 3.07Å; L61-F63 HydrophobicContact CD1-CE1 4.3Å; L61-F63 HydrophobicContact CD1-CZ 4.1Å; L61-F63 HydrophobicContact CD2-CE2 4.02Å; L61-F63 HydrophobicContact CD2-CZ 3.71Å; L61-F63 HydrophobicContact CG-CE2 4.02Å; L61-F63 HydrophobicContact CG-CZ 3.85Å; L61-I109 HydrophobicContact CD1-CG2 3.77Å; L61-I109 HydrophobicContact CD2-CG2 3.8Å; L61-I109 HydrophobicContact CG-CG2 4.46Å; L61-L113 HydrophobicContact CB-CD1 4.14Å; L61-L113 HydrophobicContact CB-CD2 4.17Å; L61-L113 HydrophobicContact CD2-CD2 4.32Å
62	H	90.9	Very high	86.3	Confident	57 Å²	57	47.2 Å²	47.2	26%	0.264	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.5	-179.7	-52.7	-66.3	0	0	0	111.1	T26 K27 L29 T30 V31 D59	T26-H62 WeakPolarHBondContact CG2-CD2 3.44Å; K27-H62 PolarHBondContact O-NE2 3.29Å; L29-H62 PolarHBondContact O-N 2.98Å; T30-H62 WeakPolarHBondContact CA-O 3.46Å; T30-H62 HydrophobicContact CG2-CB 4.2Å; V31-H62 PolarHBondContact N-O 3.49Å; D59-H62 PolarHBondContact O-CE1 3.48Å; D59-H62 PolarHBondContact O-NE2 3.43Å
63	F	92.1	Very high	86.3	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.6	173.9	-61.1	-72.4	0	0	0	109.7	Q11 A12 V31 L49 I52 K53 L61 I109	Q11-F63 CarbonylContact C-O 2.91Å; Q11-F63 VanDerWaalsContact CA-O 3.23Å; Q11-F63 WeakPolarHBondContact CA-O 3.43Å; Q11-F63 HydrophobicContact CB-CB 4.36Å; Q11-F63 HydrophobicContact CG-CB 3.75Å; A12-F63 PolarHBondContact N-O 2.95Å; V31-F63 HydrophobicContact CB-CD1 3.8Å; V31-F63 HydrophobicContact CB-CE1 4.03Å; V31-F63 HydrophobicContact CG1-CD1 4.38Å; V31-F63 HydrophobicContact CG2-CD1 4.3Å; V31-F63 HydrophobicContact CG2-CE1 4.09Å; V31-F63 CarbonylContact O-C 3.59Å; V31-F63 WeakPolarHBondContact O-CA 3.12Å; L49-F63 HydrophobicContact CB-CD1 4.38Å; L49-F63 HydrophobicContact CB-CE1 4.38Å; L49-F63 HydrophobicContact CB-CE2 4.47Å; L49-F63 HydrophobicContact CB-CG 4.48Å; L49-F63 HydrophobicContact CB-CZ 4.39Å; L49-F63 HydrophobicContact CD1-CD1 3.97Å; L49-F63 HydrophobicContact CD1-CE1 4.5Å; L49-F63 HydrophobicContact CD1-CG 4.34Å; L49-F63 HydrophobicContact CD2-CD1 3.88Å; L49-F63 HydrophobicContact CD2-CE1 3.57Å; L49-F63 HydrophobicContact CD2-CZ 4.16Å; L49-F63 HydrophobicContact CG-CD1 4.28Å; L49-F63 HydrophobicContact CG-CE1 4.34Å; I52-F63 HydrophobicContact CG2-CZ 4.41Å; K53-F63 HydrophobicContact CB-CE2 3.97Å; K53-F63 HydrophobicContact CD-CD2 4.29Å; K53-F63 HydrophobicContact CD-CE2 4.37Å; K53-F63 HydrophobicContact CG-CE2 4.31Å; L61-F63 HydrophobicContact CD1-CE1 4.3Å; L61-F63 HydrophobicContact CD1-CZ 4.1Å; L61-F63 HydrophobicContact CD2-CE2 4.02Å; L61-F63 HydrophobicContact CD2-CZ 3.71Å; L61-F63 HydrophobicContact CG-CE2 4.02Å; L61-F63 HydrophobicContact CG-CZ 3.85Å; F63-I109 HydrophobicContact CE1-CD1 3.88Å; F63-I109 HydrophobicContact CZ-CD1 4.35Å
64	A	90.3	Very high	86.3	Confident	1 Å²	1	46 Å²	46	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	161.8	176.2	0	0	0	0	0	111.4	A12 V14 M23 T30 V31 V32 D33	A12-A64 HydrophobicContact CB-CB 4.34Å; A12-A64 CarbonylContact O-C 3.6Å; A12-A64 WeakPolarHBondContact O-CA 3.07Å; V14-A64 HydrophobicContact CG2-CB 4.29Å; M23-A64 HydrophobicContact CG-CB 4.46Å; T30-A64 HydrophobicContact CG2-CB 4.33Å; V31-A64 PolarHBondContact O-N 3.01Å; V32-A64 WeakPolarHBondContact CA-O 3.4Å; V32-A64 HydrophobicContact CG1-CB 4.33Å; V32-A64 HydrophobicContact CG2-CB 4.3Å; D33-A64 PolarHBondContact N-O 3.45Å
65	T	90.2	Very high	86.2	Confident	12 Å²	12	47 Å²	47	7%	0.074	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134	168.6	57.1	0	0	0	0	108	Q11 A12 V14 D33 P41	Q11-T65 HydrophobicContact CB-CG2 4.22Å; A12-T65 PolarHBondContact O-N 3.33Å; V14-T65 PolarHBondContact N-O 2.99Å; D33-T65 HydrophobicContact CB-CG2 4.23Å; D33-T65 CarbonylContact O-C 3.52Å; D33-T65 VanDerWaalsContact O-CA 3.27Å; D33-T65 WeakPolarHBondContact O-CA 3.28Å; P41-T65 HydrophobicContact CB-CG2 3.76Å
66	A	90.4	Very high	85.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.3	-177	0	0	0	0	0	112.4	V14 W20 V32 D33 V34 Y35 A68 I71 L74	V14-A66 HydrophobicContact CB-CB 4.24Å; V14-A66 WeakPolarHBondContact O-CA 3.41Å; W20-A66 HydrophobicContact CE3-CB 4.19Å; W20-A66 HydrophobicContact CZ3-CB 3.9Å; V32-A66 HydrophobicContact CG1-CB 3.51Å; D33-A66 PolarHBondContact O-N 2.89Å; V34-A66 WeakPolarHBondContact CA-O 3.4Å; Y35-A66 VanDerWaalsContact CD1-O 3.3Å; Y35-A66 WeakPolarHBondContact CD1-O 3.39Å; Y35-A66 PolarHBondContact N-O 2.78Å; A66-A68 PolarHBondContact O-N 3.07Å; A66-I71 HydrophobicContact CB-CD1 3.95Å; A66-L74 HydrophobicContact CB-CD1 3.78Å
67	E	89.9	Confident	85.7	Confident	14 Å²	14	42.9 Å²	42.9	7%	0.065	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	106.2	174.9	-171.3	171.6	137.3	0	0	109.9	V14 Y35 Q37 D69 S70 I71	V14-E67 PolarHBondContact O-N 2.66Å; V14-E67 VanDerWaalsContact O-N 3.12Å; Y35-E67 HydrophobicContact CE1-CB 4.47Å; Y35-E67 HydrophobicContact CE2-CB 3.94Å; Y35-E67 HydrophobicContact CE2-CG 4.05Å; Y35-E67 WeakPolarHBondContact O-CA 3.14Å; Q37-E67 HydrophobicContact CB-CG 4.17Å; Q37-E67 WeakPolarHBondContact CB-OE1 3.43Å; Q37-E67 VanDerWaalsContact CG-OE1 3.3Å; Q37-E67 WeakPolarHBondContact CG-OE1 3.19Å; Q37-E67 PolarHBondContact NE2-OE1 3.07Å; Q37-E67 VanDerWaalsContact NE2-OE1 3.07Å; E67-D69 VanDerWaalsContact C-N 3.27Å; E67-D69 PolarHBondContact O-N 2.86Å; E67-S70 PolarHBondContact O-N 3.28Å; E67-S70 PolarHBondContact O-OG 3.31Å; E67-I71 WeakPolarHBondContact O-CD1 3.41Å; E67-I71 WeakPolarHBondContact O-CG1 3.41Å
68	A	86.6	Confident	85.8	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63.7	-30.7	-173.6	0	0	0	0	0	113.5	V34 Y35 A66 S70 I71 L74 R78	V34-A68 HydrophobicContact CG1-CB 3.82Å; Y35-A68 PolarHBondContact O-N 3.04Å; A66-A68 PolarHBondContact O-N 3.07Å; A68-S70 PolarHBondContact O-N 3.38Å; A68-I71 PolarHBondContact O-N 3.47Å; A68-L74 HydrophobicContact CB-CB 4.2Å; A68-R78 HydrophobicContact CB-CG 4.31Å; A68-R78 WeakPolarHBondContact O-CG 3.48Å; A68-R78 PolarHBondContact O-NE 2.89Å
69	D	84.8	Confident	85.2	Confident	60 Å²	60	43.5 Å²	43.5	32%	0.321	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-64.6	-24.6	-177.2	-66.6	-49.4	0	0	0	113.1	Q36 Q37 E67	Q36-D69 PolarHBondContact OE1-OD1 3.23Å; Q37-D69 HydrophobicContact CB-CB 4.42Å; Q37-D69 WeakPolarHBondContact CB-OD2 3.38Å; Q37-D69 PolarHBondContact N-OD2 2.86Å; E67-D69 VanDerWaalsContact C-N 3.27Å; E67-D69 PolarHBondContact O-N 2.86Å
70	S	84	Confident	84.5	Confident	45 Å²	45	38.3 Å²	38.3	32%	0.315	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-112	6.6	-174.4	62.4	0	0	0	0	114.5	M15 E67 A68	M15-S70 VanDerWaalsContact O-CB 3.28Å; M15-S70 WeakPolarHBondContact O-CB 2.8Å; M15-S70 PolarHBondContact O-OG 3.03Å; E67-S70 PolarHBondContact O-N 3.28Å; E67-S70 PolarHBondContact O-OG 3.31Å; A68-S70 PolarHBondContact O-N 3.38Å
71	I	86.6	Confident	83.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.			trans	-124.5	119.5	-177	-60.2	168.5	0	0	0	108.6	V14 W20 A66 E67 A68 A73 L74 R78	V14-I71 HydrophobicContact CB-CD1 4.5Å; V14-I71 HydrophobicContact CG1-CD1 3.76Å; W20-I71 HydrophobicContact CB-CG2 3.92Å; W20-I71 HydrophobicContact CD2-CG2 3.96Å; W20-I71 HydrophobicContact CE3-CD1 4.14Å; W20-I71 HydrophobicContact CE3-CG2 4.25Å; W20-I71 HydrophobicContact CG-CG2 3.79Å; A66-I71 HydrophobicContact CB-CD1 3.95Å; E67-I71 WeakPolarHBondContact O-CD1 3.41Å; E67-I71 WeakPolarHBondContact O-CG1 3.41Å; A68-I71 PolarHBondContact O-N 3.47Å; I71-A73 HydrophobicContact CG2-CB 4.15Å; I71-L74 HydrophobicContact CB-CB 4.24Å; I71-L74 HydrophobicContact CB-CD1 4.16Å; I71-L74 HydrophobicContact CB-CG 4.25Å; I71-L74 HydrophobicContact CD1-CD1 3.94Å; I71-L74 HydrophobicContact CG2-CB 4.21Å; I71-L74 HydrophobicContact CG2-CD1 4.12Å; I71-L74 HydrophobicContact CG2-CG 3.88Å; I71-L74 PolarHBondContact O-N 2.82Å; I71-R78 PolarHBondContact O-NH2 3.47Å
72	D	85.3	Confident	82.6	Confident	109 Å²	109	44.6 Å²	44.6	58%	0.583	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-71	-35	-175.9	-66.9	-25.9	0	0	0	111.7	Q17 L74 E75 R78	Q17-D72 VanDerWaalsContact OE1-N 3.14Å; D72-L74 PolarHBondContact O-N 3.25Å; D72-E75 VanDerWaalsContact O-CB 3.31Å; D72-E75 WeakPolarHBondContact O-CB 3.18Å; D72-E75 PolarHBondContact O-N 2.98Å; D72-R78 IonicContact OD1-NH2 3.1Å; D72-R78 PolarHBondContact OD1-NH2 2.84Å
73	A	83.3	Confident	81.9	Confident	49 Å²	49	44 Å²	44	41%	0.405	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-61	-16.1	173.5	0	0	0	0	0	113.9	I71	I71-A73 HydrophobicContact CG2-CB 4.15Å
74	L	84.5	Confident	81.6	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-108.1	12.2	178.6	-64.1	-179	0	0	0	113.3	W20 V34 A66 A68 I71 D72 K76 Y77 L86	W20-L74 HydrophobicContact CE3-CD1 4.02Å; W20-L74 HydrophobicContact CE3-CG 4.35Å; W20-L74 HydrophobicContact CH2-CD1 4.16Å; W20-L74 HydrophobicContact CH2-CD2 3.58Å; W20-L74 HydrophobicContact CH2-CG 4.07Å; W20-L74 HydrophobicContact CZ2-CD2 3.97Å; W20-L74 HydrophobicContact CZ2-CG 4.39Å; W20-L74 HydrophobicContact CZ3-CD1 3.66Å; W20-L74 HydrophobicContact CZ3-CD2 3.99Å; W20-L74 HydrophobicContact CZ3-CG 4.02Å; V34-L74 HydrophobicContact CG1-CD1 4.08Å; V34-L74 HydrophobicContact CG2-CD1 4.23Å; V34-L74 HydrophobicContact CG2-CD2 4.4Å; A66-L74 HydrophobicContact CB-CD1 3.78Å; A68-L74 HydrophobicContact CB-CB 4.2Å; I71-L74 HydrophobicContact CB-CB 4.24Å; I71-L74 HydrophobicContact CB-CD1 4.16Å; I71-L74 HydrophobicContact CB-CG 4.25Å; I71-L74 HydrophobicContact CD1-CD1 3.94Å; I71-L74 HydrophobicContact CG2-CB 4.21Å; I71-L74 HydrophobicContact CG2-CD1 4.12Å; I71-L74 HydrophobicContact CG2-CG 3.88Å; I71-L74 PolarHBondContact O-N 2.82Å; D72-L74 PolarHBondContact O-N 3.25Å; L74-K76 PolarHBondContact O-N 3.3Å; L74-K76 VanDerWaalsContact O-N 3.08Å; L74-Y77 HydrophobicContact CB-CD2 4.13Å; L74-Y77 HydrophobicContact CD2-CD2 3.61Å; L74-Y77 HydrophobicContact CD2-CE2 3.65Å; L74-Y77 HydrophobicContact CG-CD2 4.49Å; L74-Y77 PolarHBondContact O-N 3.01Å; L74-L86 HydrophobicContact CD2-CD1 3.81Å
75	E	81.3	Confident	81.5	Confident	131 Å²	131	43.9 Å²	43.9	61%	0.612	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-48	-42.7	-179	-179.7	173.6	-147.9	0	0	112.5	D72 Y77 R78	D72-E75 VanDerWaalsContact O-CB 3.31Å; D72-E75 WeakPolarHBondContact O-CB 3.18Å; D72-E75 PolarHBondContact O-N 2.98Å; E75-Y77 PolarHBondContact O-N 2.78Å; E75-Y77 VanDerWaalsContact O-N 3.1Å; E75-R78 WeakPolarHBondContact O-CB 3.23Å; E75-R78 WeakPolarHBondContact O-CG 3.39Å; E75-R78 PolarHBondContact O-N 2.98Å; E75-R78 VanDerWaalsContact O-N 3.11Å
76	K	77.6	Confident	81.5	Confident	84 Å²	84	43.4 Å²	43.4	37%	0.365	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-61.8	-18.8	179	67.2	-179.2	-175.7	161.8	0	115.1	L74 D131 L134	L74-K76 PolarHBondContact O-N 3.3Å; L74-K76 VanDerWaalsContact O-N 3.08Å; K76-D131 WeakPolarHBondContact CE-OD2 3.29Å; K76-D131 PolarHBondContact NZ-O 3.37Å; K76-D131 IonicContact NZ-OD2 2.97Å; K76-D131 PolarHBondContact NZ-OD2 3.24Å; K76-L134 HydrophobicContact CB-CB 4.5Å; K76-L134 WeakPolarHBondContact O-CD1 3.47Å
77	Y	78.8	Confident	81.6	Confident	7 Å²	7	43.4 Å²	43.4	3%	0.027	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-98.6	-0.4	179.9	-55.9	-83.9	0	0	0	113.3	Q36 L74 E75 T84 L86 D131 L134	Q36-Y77 PolarHBondContact NE2-O 3.33Å; L74-Y77 HydrophobicContact CB-CD2 4.13Å; L74-Y77 HydrophobicContact CD2-CD2 3.61Å; L74-Y77 HydrophobicContact CD2-CE2 3.65Å; L74-Y77 HydrophobicContact CG-CD2 4.49Å; L74-Y77 PolarHBondContact O-N 3.01Å; E75-Y77 PolarHBondContact O-N 2.78Å; E75-Y77 VanDerWaalsContact O-N 3.1Å; Y77-T84 HydrophobicContact CD1-CG2 4.12Å; Y77-T84 HydrophobicContact CE1-CG2 4.01Å; Y77-L86 HydrophobicContact CE1-CD2 4.07Å; Y77-L86 HydrophobicContact CE2-CD1 3.88Å; Y77-L86 VanDerWaalsContact OH-CD2 3.25Å; Y77-L86 WeakPolarHBondContact OH-CD2 3.27Å; Y77-D131 VanDerWaalsContact CE1-OD2 3.3Å; Y77-D131 WeakPolarHBondContact CE1-OD2 3.29Å; Y77-D131 VanDerWaalsContact CZ-OD2 3.26Å; Y77-D131 PolarHBondContact OH-OD2 2.65Å; Y77-L134 HydrophobicContact CD1-CD1 4.13Å
78	R	82.4	Confident	81.5	Confident	78 Å²	78	43.7 Å²	43.7	29%	0.294	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	149.1	179.9	-66	177.8	-175.3	163.9	1.8	111.5	A68 I71 D72 E75 K80	A68-R78 HydrophobicContact CB-CG 4.31Å; A68-R78 WeakPolarHBondContact O-CG 3.48Å; A68-R78 PolarHBondContact O-NE 2.89Å; I71-R78 PolarHBondContact O-NH2 3.47Å; D72-R78 IonicContact OD1-NH2 3.1Å; D72-R78 PolarHBondContact OD1-NH2 2.84Å; E75-R78 WeakPolarHBondContact O-CB 3.23Å; E75-R78 WeakPolarHBondContact O-CG 3.39Å; E75-R78 PolarHBondContact O-N 2.98Å; E75-R78 VanDerWaalsContact O-N 3.11Å; R78-K80 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 3.39Å
79	G	70.7	Confident	81.5	Confident	65 Å²	65	43.7 Å²	43.7	67%	0.67	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.6	5	176.1	0	0	0	0	0	116.1
80	K	67.3	Low	81.3	Confident	42 Å²	42	42.5 Å²	42.5	18%	0.183	25%	0.251	C	S	.	.			trans	-99.1	139.6	-177	-70.7	-168.9	151	-165.2	0	114.2	Q36 R78 E82 L134	Q36-K80 VanDerWaalsContact CG-O 3.25Å; Q36-K80 WeakPolarHBondContact CG-O 3.4Å; R78-K80 VanDerWaalsContact C-N 3.32Å; R78-K80 PolarHBondContact O-N 3.39Å; K80-E82 HydrophobicContact CB-CG 4.41Å; K80-E82 HydrophobicContact CD-CG 4.41Å; K80-E82 IonicContact NZ-OE1 2.68Å; K80-E82 PolarHBondContact NZ-OE1 3.04Å; K80-L134 HydrophobicContact CD-CD1 3.76Å; K80-L134 HydrophobicContact CD-CD2 4.18Å; K80-L134 HydrophobicContact CD-CG 4.47Å; K80-L134 VanDerWaalsContact CE-CD1 3.46Å
81	C	61.3	Low	81.1	Confident	107 Å²	107	41.7 Å²	41.7	72%	0.723	25%	0.25	S	C	*	.			trans	-101.2	24.6	177	-161.1	0	0	0	0	113.1	W38	W38-C81 HydrophobicContact CH2-CB 4Å; W38-C81 HydrophobicContact CZ2-CB 4.47Å
82	E	76.3	Confident	81	Confident	68 Å²	68	45.5 Å²	45.5	32%	0.318	27%	0.268	S	S	.	.	S	Bend	trans	-107.9	132	177.7	68.5	-179.1	168.2	0	0	111.2	K80 T84 R98	K80-E82 HydrophobicContact CB-CG 4.41Å; K80-E82 HydrophobicContact CD-CG 4.41Å; K80-E82 IonicContact NZ-OE1 2.68Å; K80-E82 PolarHBondContact NZ-OE1 3.04Å; E82-T84 PolarHBondContact O-N 3.39Å; E82-T84 PolarHBondContact O-OG1 3.34Å; E82-R98 IonicContact OE1-CZ 2.73Å; E82-R98 IonicContact OE1-NH1 2.79Å; E82-R98 PolarHBondContact OE1-NH1 3.3Å
83	P	75.9	Confident	81	Confident	43 Å²	43	41.4 Å²	41.4	28%	0.279	25%	0.246	S	C	.	.			trans	-59.1	125.9	171.7	-21.9	32.6	0	0	0	110.1	F85 R98 G99 A100	P83-F85 HydrophobicContact CB-CE2 4.24Å; P83-R98 CarbonylContact O-C 3.59Å; P83-G99 PolarHBondContact O-N 3.08Å; P83-A100 HydrophobicContact CG-CB 4.31Å
84	T	85.6	Confident	81.1	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.7	-177	-59.5	0	0	0	0	110.1	V34 Y77 E82 L86 V96 L97 R98	V34-T84 PolarHBondContact N-O 2.89Å; Y77-T84 HydrophobicContact CD1-CG2 4.12Å; Y77-T84 HydrophobicContact CE1-CG2 4.01Å; E82-T84 PolarHBondContact O-N 3.39Å; E82-T84 PolarHBondContact O-OG1 3.34Å; T84-L86 HydrophobicContact CG2-CD2 3.94Å; T84-L86 HydrophobicContact CG2-CG 4.49Å; T84-V96 HydrophobicContact CG2-CG1 4.41Å; T84-L97 CarbonylContact C-O 3.59Å; T84-L97 WeakPolarHBondContact CA-O 3.25Å; T84-R98 HydrophobicContact CG2-CG 4.36Å
85	F	89.4	Confident	81.1	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.7	177.4	-54.6	-81	0	0	0	110.3	V32 D33 V45 P83 F87 V96 L97 L105	V32-F85 CarbonylContact O-C 3.47Å; V32-F85 VanDerWaalsContact O-CA 3.29Å; V32-F85 WeakPolarHBondContact O-CA 3.23Å; D33-F85 HydrophobicContact CB-CD1 4Å; D33-F85 HydrophobicContact CB-CE1 3.83Å; V45-F85 HydrophobicContact CB-CZ 4.34Å; V45-F85 HydrophobicContact CG1-CE1 4.45Å; V45-F85 HydrophobicContact CG1-CZ 3.78Å; V45-F85 HydrophobicContact CG2-CE1 3.86Å; V45-F85 HydrophobicContact CG2-CZ 3.9Å; P83-F85 HydrophobicContact CB-CE2 4.24Å; F85-F87 HydrophobicContact CB-CE2 4.2Å; F85-V96 WeakPolarHBondContact O-CA 3.49Å; F85-L97 HydrophobicContact CB-CB 4.26Å; F85-L97 HydrophobicContact CD2-CD2 4.16Å; F85-L97 HydrophobicContact CD2-CG 4.37Å; F85-L97 PolarHBondContact N-O 2.73Å; F85-L97 PolarHBondContact O-N 3.04Å; F85-L105 HydrophobicContact CB-CD1 4.21Å; F85-L105 HydrophobicContact CD1-CD1 4.36Å; F85-L105 HydrophobicContact CD1-CD2 4.28Å; F85-L105 HydrophobicContact CD2-CD1 4.37Å; F85-L105 HydrophobicContact CD2-CD2 4.31Å; F85-L105 HydrophobicContact CE1-CD2 4.12Å; F85-L105 HydrophobicContact CE2-CD2 4.15Å; F85-L105 HydrophobicContact CG-CD1 4.04Å; F85-L105 HydrophobicContact CG-CD2 4.38Å; F85-L105 HydrophobicContact CZ-CD2 4.06Å
86	L	90.3	Very high	81.3	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.3	177.9	-54.6	-177.8	0	0	0	110.3	W20 V31 V32 V34 L74 Y77 T84 F88 L93 V96	W20-L86 HydrophobicContact CH2-CD1 4.27Å; V31-L86 CarbonylContact C-O 3.58Å; V31-L86 WeakPolarHBondContact CA-O 3.23Å; V32-L86 HydrophobicContact CB-CB 4.37Å; V32-L86 PolarHBondContact N-O 2.87Å; V32-L86 PolarHBondContact O-N 3.13Å; V34-L86 HydrophobicContact CG2-CD1 3.6Å; V34-L86 HydrophobicContact CG2-CG 3.83Å; L74-L86 HydrophobicContact CD2-CD1 3.81Å; Y77-L86 HydrophobicContact CE1-CD2 4.07Å; Y77-L86 HydrophobicContact CE2-CD1 3.88Å; Y77-L86 VanDerWaalsContact OH-CD2 3.25Å; Y77-L86 WeakPolarHBondContact OH-CD2 3.27Å; T84-L86 HydrophobicContact CG2-CD2 3.94Å; T84-L86 HydrophobicContact CG2-CG 4.49Å; L86-F88 HydrophobicContact CB-CD2 4.18Å; L86-F88 HydrophobicContact CB-CE2 3.54Å; L86-F88 HydrophobicContact CB-CZ 4.39Å; L86-F88 HydrophobicContact CD1-CE2 4.05Å; L86-F88 HydrophobicContact CD1-CZ 4.34Å; L86-F88 HydrophobicContact CG-CE2 4.46Å; L86-L93 HydrophobicContact CB-CD1 3.99Å; L86-L93 HydrophobicContact CD2-CD1 4.32Å; L86-V96 HydrophobicContact CD2-CB 4.3Å; L86-V96 HydrophobicContact CD2-CG1 3.86Å; L86-V96 HydrophobicContact CD2-CG2 3.72Å
87	F	92	Very high	81.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.3	-178.9	-63.8	-109	0	0	0	109	L29 V31 F85 V94 A95 L97 L105 M108 I109 E112	L29-F87 HydrophobicContact CD1-CB 4.28Å; L29-F87 HydrophobicContact CD1-CD1 4.48Å; L29-F87 HydrophobicContact CD2-CD1 4.34Å; V31-F87 HydrophobicContact CG1-CD1 4.37Å; V31-F87 HydrophobicContact CG1-CE1 4.09Å; V31-F87 HydrophobicContact CG1-CZ 4.23Å; V31-F87 HydrophobicContact CG2-CD1 3.79Å; V31-F87 HydrophobicContact CG2-CE1 3.89Å; F85-F87 HydrophobicContact CB-CE2 4.2Å; F87-V94 HydrophobicContact CB-CG2 3.86Å; F87-V94 VanDerWaalsContact O-CG2 3.31Å; F87-V94 WeakPolarHBondContact O-CG2 3.45Å; F87-V94 PolarHBondContact O-N 2.91Å; F87-A95 HydrophobicContact CB-CB 3.88Å; F87-A95 HydrophobicContact CD2-CB 3.9Å; F87-A95 HydrophobicContact CG-CB 3.97Å; F87-A95 PolarHBondContact N-O 3.21Å; F87-A95 PolarHBondContact O-N 3.26Å; F87-L97 HydrophobicContact CE2-CB 4.1Å; F87-L105 HydrophobicContact CZ-CD1 3.79Å; F87-M108 HydrophobicContact CD2-CE 4.32Å; F87-M108 HydrophobicContact CE1-CB 4Å; F87-M108 HydrophobicContact CE2-CE 3.9Å; F87-M108 HydrophobicContact CZ-CB 3.74Å; F87-M108 HydrophobicContact CZ-CE 4.27Å; F87-I109 HydrophobicContact CE1-CG1 3.76Å; F87-I109 HydrophobicContact CZ-CG1 4.33Å; F87-E112 HydrophobicContact CD1-CG 4.47Å
88	F	88.3	Confident	81.8	Confident	20 Å²	20	34.7 Å²	34.7	9%	0.088	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	179.8	-71.5	-88.5	0	0	0	111.1	W20 L24 L29 T30 V32 L86 E92 L93	W20-F88 AromaticContact CH2-CE2 3.62Å; W20-F88 HydrophobicContact CH2-CE2 3.62Å; W20-F88 AromaticContact CH2-CZ 3.77Å; W20-F88 HydrophobicContact CH2-CZ 3.77Å; W20-F88 HydrophobicContact CZ2-CE1 4.35Å; W20-F88 AromaticContact CZ2-CE2 3.9Å; W20-F88 HydrophobicContact CZ2-CE2 3.9Å; W20-F88 AromaticContact CZ2-CZ 3.58Å; W20-F88 HydrophobicContact CZ2-CZ 3.58Å; L24-F88 HydrophobicContact CD2-CB 4.1Å; L24-F88 HydrophobicContact CD2-CD1 3.35Å; L24-F88 HydrophobicContact CD2-CD2 4.21Å; L24-F88 HydrophobicContact CD2-CE1 3.72Å; L24-F88 HydrophobicContact CD2-CG 3.62Å; L24-F88 HydrophobicContact CD2-CZ 4.29Å; L29-F88 CarbonylContact C-O 3.58Å; L29-F88 WeakPolarHBondContact CA-O 3.49Å; T30-F88 PolarHBondContact N-O 3.17Å; T30-F88 PolarHBondContact O-N 3.37Å; V32-F88 HydrophobicContact CG2-CD2 3.99Å; V32-F88 HydrophobicContact CG2-CE2 4.29Å; L86-F88 HydrophobicContact CB-CD2 4.18Å; L86-F88 HydrophobicContact CB-CE2 3.54Å; L86-F88 HydrophobicContact CB-CZ 4.39Å; L86-F88 HydrophobicContact CD1-CE2 4.05Å; L86-F88 HydrophobicContact CD1-CZ 4.34Å; L86-F88 HydrophobicContact CG-CE2 4.46Å; F88-E92 CarbonylContact C-O 3.59Å; F88-E92 VanDerWaalsContact CA-O 3.25Å; F88-E92 WeakPolarHBondContact CA-O 3.47Å; F88-L93 HydrophobicContact CD1-CB 4.26Å; F88-L93 HydrophobicContact CD1-CD1 4.45Å; F88-L93 HydrophobicContact CD2-CD1 4.41Å; F88-L93 HydrophobicContact CE1-CB 3.84Å; F88-L93 HydrophobicContact CE1-CD1 3.99Å; F88-L93 HydrophobicContact CE2-CD1 3.94Å; F88-L93 HydrophobicContact CZ-CB 4.36Å; F88-L93 HydrophobicContact CZ-CD1 3.7Å
89	G	86.3	Confident	81.3	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.5	172.6	0	0	0	0	0	109.5	G91 E92 R126	G89-G91 PolarHBondContact O-N 3.46Å; G89-E92 PolarHBondContact N-O 2.73Å; G89-E92 PolarHBondContact O-N 3.48Å; G89-R126 VanDerWaalsContact O-CD 3.31Å; G89-R126 WeakPolarHBondContact O-CD 3.44Å; G89-R126 PolarHBondContact O-NE 2.87Å
90	G	80.8	Confident	81.1	Confident	35 Å²	35	32.8 Å²	32.8	36%	0.361	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	32.9	-178.2	0	0	0	0	0	115	E92	G90-E92 VanDerWaalsContact C-N 3.33Å
91	G	79.9	Confident	81.5	Confident	28 Å²	28	34.2 Å²	34.2	29%	0.289	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-3.9	-179.1	0	0	0	0	0	115.4	L24 G89	L24-G91 VanDerWaalsContact O-CA 3.24Å; L24-G91 WeakPolarHBondContact O-CA 3.32Å; L24-G91 PolarHBondContact O-N 3.35Å; G89-G91 PolarHBondContact O-N 3.46Å
92	E	84.5	Confident	82.1	Confident	81 Å²	81	31.1 Å²	31.1	38%	0.379	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.5	178.7	-63	-174.5	139.2	0	0	111.5	F88 G89 G90 V94 R126 V128	F88-E92 CarbonylContact C-O 3.59Å; F88-E92 VanDerWaalsContact CA-O 3.25Å; F88-E92 WeakPolarHBondContact CA-O 3.47Å; G89-E92 PolarHBondContact N-O 2.73Å; G89-E92 PolarHBondContact O-N 3.48Å; G90-E92 VanDerWaalsContact C-N 3.33Å; E92-V94 PolarHBondContact O-N 3.34Å; E92-R126 WeakPolarHBondContact OE2-CB 3.35Å; E92-R126 WeakPolarHBondContact OE2-CD 3.33Å; E92-V128 HydrophobicContact CB-CG2 4.08Å; E92-V128 VanDerWaalsContact CD-CG2 3.45Å; E92-V128 HydrophobicContact CG-CG2 4.26Å; E92-V128 VanDerWaalsContact OE2-CG2 3.28Å; E92-V128 WeakPolarHBondContact OE2-CG2 3.33Å
93	L	85.3	Confident	82.1	Confident	22 Å²	22	32.5 Å²	32.5	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	115.3	176.2	-174.9	69	0	0	0	109.6	L86 F88 A95 V96 V129 D131	L86-L93 HydrophobicContact CB-CD1 3.99Å; L86-L93 HydrophobicContact CD2-CD1 4.32Å; F88-L93 HydrophobicContact CD1-CB 4.26Å; F88-L93 HydrophobicContact CD1-CD1 4.45Å; F88-L93 HydrophobicContact CD2-CD1 4.41Å; F88-L93 HydrophobicContact CE1-CB 3.84Å; F88-L93 HydrophobicContact CE1-CD1 3.99Å; F88-L93 HydrophobicContact CE2-CD1 3.94Å; F88-L93 HydrophobicContact CZ-CB 4.36Å; F88-L93 HydrophobicContact CZ-CD1 3.7Å; L93-A95 WeakPolarHBondContact CD1-O 3.37Å; L93-V96 HydrophobicContact CD1-CG2 4Å; L93-V96 HydrophobicContact CD2-CG2 3.78Å; L93-V96 HydrophobicContact CG-CG2 4.14Å; L93-V129 PolarHBondContact O-N 2.85Å; L93-D131 HydrophobicContact CD2-CB 4.04Å
94	V	85.6	Confident	82.1	Confident	15 Å²	15	34.8 Å²	34.8	9%	0.091	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-23.4	-177	-63.8	0	0	0	0	113.1	L29 F87 E92 V129	L29-V94 HydrophobicContact CD1-CG2 3.94Å; F87-V94 HydrophobicContact CB-CG2 3.86Å; F87-V94 VanDerWaalsContact O-CG2 3.31Å; F87-V94 WeakPolarHBondContact O-CG2 3.45Å; F87-V94 PolarHBondContact O-N 2.91Å; E92-V94 PolarHBondContact O-N 3.34Å; V94-V129 WeakPolarHBondContact O-CG2 3.37Å
95	A	84.6	Confident	81.9	Confident	9 Å²	9	34.6 Å²	34.6	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	160.3	174	0	0	0	0	0	112.5	F87 L93 M108 E112	F87-A95 HydrophobicContact CB-CB 3.88Å; F87-A95 HydrophobicContact CD2-CB 3.9Å; F87-A95 HydrophobicContact CG-CB 3.97Å; F87-A95 PolarHBondContact N-O 3.21Å; F87-A95 PolarHBondContact O-N 3.26Å; L93-A95 WeakPolarHBondContact CD1-O 3.37Å; A95-M108 HydrophobicContact CB-CE 3.58Å; A95-E112 HydrophobicContact CB-CG 4.17Å
96	V	85.3	Confident	81.6	Confident	35 Å²	35	37.8 Å²	37.8	21%	0.212	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.6	175.1	178.2	0	0	0	0	109.1	T84 F85 L86 L93 R98 D131	T84-V96 HydrophobicContact CG2-CG1 4.41Å; F85-V96 WeakPolarHBondContact O-CA 3.49Å; L86-V96 HydrophobicContact CD2-CB 4.3Å; L86-V96 HydrophobicContact CD2-CG1 3.86Å; L86-V96 HydrophobicContact CD2-CG2 3.72Å; L93-V96 HydrophobicContact CD1-CG2 4Å; L93-V96 HydrophobicContact CD2-CG2 3.78Å; L93-V96 HydrophobicContact CG-CG2 4.14Å; V96-R98 HydrophobicContact CG1-CG 4.36Å; V96-D131 HydrophobicContact CG2-CB 4.03Å
97	L	82.4	Confident	81.2	Confident	7 Å²	7	45.4 Å²	45.4	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.4	172.2	177.4	66.6	0	0	0	109.4	T84 F85 F87 M104 L105 M108	T84-L97 CarbonylContact C-O 3.59Å; T84-L97 WeakPolarHBondContact CA-O 3.25Å; F85-L97 HydrophobicContact CB-CB 4.26Å; F85-L97 HydrophobicContact CD2-CD2 4.16Å; F85-L97 HydrophobicContact CD2-CG 4.37Å; F85-L97 PolarHBondContact N-O 2.73Å; F85-L97 PolarHBondContact O-N 3.04Å; F87-L97 HydrophobicContact CE2-CB 4.1Å; L97-M104 HydrophobicContact CD1-CB 4.4Å; L97-M104 HydrophobicContact CD1-CE 3.8Å; L97-M104 HydrophobicContact CD1-CG 3.84Å; L97-M104 HydrophobicContact CD1-SD 3.45Å; L97-M104 WeakPolarHBondContact CD1-SD 3.47Å; L97-L105 HydrophobicContact CD2-CB 3.63Å; L97-L105 HydrophobicContact CD2-CD1 4.04Å; L97-L105 HydrophobicContact CD2-CG 4.38Å; L97-M108 HydrophobicContact CB-CE 4.34Å; L97-M108 HydrophobicContact CB-SD 3.97Å; L97-M108 HydrophobicContact CD1-SD 4.02Å; L97-M108 HydrophobicContact CD2-SD 4.28Å; L97-M108 HydrophobicContact CG-SD 4.32Å
98	R	82.9	Confident	80.8	Confident	67 Å²	67	46.6 Å²	46.6	25%	0.253	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.6	173.7	-63.4	177.2	-171.9	-84.7	-6.4	109.6	E82 P83 T84 V96 D131	E82-R98 IonicContact OE1-CZ 2.73Å; E82-R98 IonicContact OE1-NH1 2.79Å; E82-R98 PolarHBondContact OE1-NH1 3.3Å; P83-R98 CarbonylContact O-C 3.59Å; T84-R98 HydrophobicContact CG2-CG 4.36Å; V96-R98 HydrophobicContact CG1-CG 4.36Å; R98-D131 IonicContact CZ-OD1 2.76Å; R98-D131 VanDerWaalsContact NH2-CG 3.34Å; R98-D131 IonicContact NH2-OD1 2.67Å; R98-D131 PolarHBondContact NH2-OD1 3.44Å; R98-D131 IonicContact NH2-OD2 3.74Å; R98-D131 PolarHBondContact NH2-OD2 3.01Å; R98-D131 VanDerWaalsContact NH2-OD2 3.15Å
99	G	73.6	Confident	80.8	Confident	24 Å²	24	45.6 Å²	45.6	25%	0.247	27%	0.265	C	S	.	.	S	Bend	trans	88.4	161.6	-178.6	0	0	0	0	0	114.4	P83 N101	P83-G99 PolarHBondContact O-N 3.08Å; G99-N101 VanDerWaalsContact C-N 3.32Å; G99-N101 PolarHBondContact O-N 2.97Å
100	A	66.1	Low	80.8	Confident	79 Å²	79	48.9 Å²	48.9	65%	0.653	29%	0.285	S	S	*	.			trans	-84.2	68.2	-179.2	0	0	0	0	0	111.9	P83	P83-A100 HydrophobicContact CG-CB 4.31Å
101	N	75.6	Confident	81.1	Confident	72 Å²	72	50.5 Å²	50.5	39%	0.385	28%	0.283	S	S	.	.			trans	-104.2	92.2	175.9	-170.1	-28.2	0	0	0	111	G99 P103 M104 L105	G99-N101 VanDerWaalsContact C-N 3.32Å; G99-N101 PolarHBondContact O-N 2.97Å; N101-P103 WeakPolarHBondContact OD1-CD 3.48Å; N101-M104 HydrophobicContact CB-CB 3.97Å; N101-M104 PolarHBondContact O-N 3.11Å; N101-M104 VanDerWaalsContact OD1-CB 3.3Å; N101-M104 WeakPolarHBondContact OD1-CB 3.37Å; N101-M104 PolarHBondContact OD1-N 3.14Å; N101-L105 VanDerWaalsContact O-CB 3.29Å; N101-L105 WeakPolarHBondContact O-CB 3.46Å; N101-L105 PolarHBondContact O-N 3.5Å
102	A	74.6	Confident	81.5	Confident	42 Å²	42	50.4 Å²	50.4	35%	0.347	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-47.1	-177.5	0	0	0	0	0	114.2	L48 L105 Q106	L48-A102 HydrophobicContact CD2-CB 3.67Å; L48-A102 WeakPolarHBondContact CD2-O 3.47Å; A102-L105 PolarHBondContact O-N 2.91Å; A102-Q106 PolarHBondContact O-N 3.47Å
103	P	76.2	Confident	81.6	Confident	97 Å²	97	46.8 Å²	46.8	63%	0.63	26%	0.258	S	S	*	.	H	α-helix	trans	-60.7	-43.6	175.6	-25.9	34.5	0	0	0	113.6	N101 Q106 R107	N101-P103 WeakPolarHBondContact OD1-CD 3.48Å; P103-Q106 PolarHBondContact O-N 2.87Å; P103-R107 PolarHBondContact O-N 2.94Å
104	M	75.8	Confident	81.6	Confident	91 Å²	91	48.4 Å²	48.4	45%	0.448	28%	0.275	S	S	.	.	H	α-helix	trans	-66.6	-41.9	179.1	-171.4	173.3	178.4	0	0	111.4	L97 N101 Q106 R107 M108	L97-M104 HydrophobicContact CD1-CB 4.4Å; L97-M104 HydrophobicContact CD1-CE 3.8Å; L97-M104 HydrophobicContact CD1-CG 3.84Å; L97-M104 HydrophobicContact CD1-SD 3.45Å; L97-M104 WeakPolarHBondContact CD1-SD 3.47Å; N101-M104 HydrophobicContact CB-CB 3.97Å; N101-M104 PolarHBondContact O-N 3.11Å; N101-M104 VanDerWaalsContact OD1-CB 3.3Å; N101-M104 WeakPolarHBondContact OD1-CB 3.37Å; N101-M104 PolarHBondContact OD1-N 3.14Å; M104-Q106 VanDerWaalsContact C-N 3.34Å; M104-Q106 PolarHBondContact O-N 3.4Å; M104-R107 PolarHBondContact O-N 2.82Å; M104-M108 HydrophobicContact CE-SD 3.98Å; M104-M108 HydrophobicContact CG-CG 4.35Å; M104-M108 HydrophobicContact CG-SD 4.01Å; M104-M108 WeakPolarHBondContact O-CB 3.31Å; M104-M108 VanDerWaalsContact O-CG 3.29Å; M104-M108 WeakPolarHBondContact O-CG 3.31Å; M104-M108 PolarHBondContact O-N 3.07Å
105	L	80.4	Confident	81.5	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-47.4	173.2	179.8	55.6	0	0	0	111.1	V31 V45 L48 L49 F85 F87 L97 N101 A102 R107 M108 I109	V31-L105 HydrophobicContact CG1-CD1 4.35Å; V45-L105 HydrophobicContact CB-CD2 4.38Å; V45-L105 HydrophobicContact CG1-CD2 4.12Å; L48-L105 HydrophobicContact CD2-CD2 4.25Å; L49-L105 HydrophobicContact CD2-CD2 4.17Å; F85-L105 HydrophobicContact CB-CD1 4.21Å; F85-L105 HydrophobicContact CD1-CD1 4.36Å; F85-L105 HydrophobicContact CD1-CD2 4.28Å; F85-L105 HydrophobicContact CD2-CD1 4.37Å; F85-L105 HydrophobicContact CD2-CD2 4.31Å; F85-L105 HydrophobicContact CE1-CD2 4.12Å; F85-L105 HydrophobicContact CE2-CD2 4.15Å; F85-L105 HydrophobicContact CG-CD1 4.04Å; F85-L105 HydrophobicContact CG-CD2 4.38Å; F85-L105 HydrophobicContact CZ-CD2 4.06Å; F87-L105 HydrophobicContact CZ-CD1 3.79Å; L97-L105 HydrophobicContact CD2-CB 3.63Å; L97-L105 HydrophobicContact CD2-CD1 4.04Å; L97-L105 HydrophobicContact CD2-CG 4.38Å; N101-L105 VanDerWaalsContact O-CB 3.29Å; N101-L105 WeakPolarHBondContact O-CB 3.46Å; N101-L105 PolarHBondContact O-N 3.5Å; A102-L105 PolarHBondContact O-N 2.91Å; L105-R107 PolarHBondContact O-N 3.18Å; L105-M108 PolarHBondContact O-N 3.47Å; L105-I109 HydrophobicContact CD1-CD1 3.85Å; L105-I109 HydrophobicContact CD1-CG1 4.2Å; L105-I109 HydrophobicContact CG-CD1 3.93Å; L105-I109 WeakPolarHBondContact O-CD1 3.25Å; L105-I109 WeakPolarHBondContact O-CG1 3.42Å; L105-I109 PolarHBondContact O-N 3.1Å
106	Q	83.4	Confident	81.5	Confident	67 Å²	67	52.7 Å²	52.7	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-46.1	177.9	-179.3	170.4	-12.8	0	0	112.2	I52 A102 P103 M104 I109 V110	I52-Q106 HydrophobicContact CD1-CB 3.82Å; I52-Q106 HydrophobicContact CD1-CG 3.81Å; I52-Q106 HydrophobicContact CG1-CG 4.05Å; A102-Q106 PolarHBondContact O-N 3.47Å; P103-Q106 PolarHBondContact O-N 2.87Å; M104-Q106 VanDerWaalsContact C-N 3.34Å; M104-Q106 PolarHBondContact O-N 3.4Å; Q106-I109 PolarHBondContact O-N 3.46Å; Q106-V110 WeakPolarHBondContact O-CG2 3.46Å; Q106-V110 PolarHBondContact O-N 3.48Å
107	R	82.6	Confident	81.5	Confident	162 Å²	162	54.4 Å²	54.4	61%	0.611	30%	0.296	S	S	*	.	H	α-helix	trans	-62.1	-48.5	178.8	-178.8	178	172.8	173.3	-0.5	111.7	P103 M104 L105 I109 V110 E111	P103-R107 PolarHBondContact O-N 2.94Å; M104-R107 PolarHBondContact O-N 2.82Å; L105-R107 PolarHBondContact O-N 3.18Å; R107-I109 VanDerWaalsContact C-N 3.31Å; R107-I109 PolarHBondContact O-N 3.36Å; R107-V110 PolarHBondContact O-N 3.2Å; R107-V110 VanDerWaalsContact O-N 3.14Å; R107-E111 HydrophobicContact CG-CG 4.36Å; R107-E111 WeakPolarHBondContact CG-OE1 3.33Å; R107-E111 IonicContact CZ-OE1 3.11Å; R107-E111 IonicContact NE-OE1 3.84Å; R107-E111 PolarHBondContact NE-OE1 3.15Å; R107-E111 IonicContact NH2-OE1 2.88Å; R107-E111 PolarHBondContact NH2-OE1 3.04Å; R107-E111 WeakPolarHBondContact O-CG 3.34Å; R107-E111 PolarHBondContact O-N 3Å
108	M	83.6	Confident	81.4	Confident	24 Å²	24	57.8 Å²	57.8	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-39.2	179.5	-72.1	-179.8	72	0	0	112	F87 A95 L97 M104 L105 V110 E111 E112	F87-M108 HydrophobicContact CD2-CE 4.32Å; F87-M108 HydrophobicContact CE1-CB 4Å; F87-M108 HydrophobicContact CE2-CE 3.9Å; F87-M108 HydrophobicContact CZ-CB 3.74Å; F87-M108 HydrophobicContact CZ-CE 4.27Å; A95-M108 HydrophobicContact CB-CE 3.58Å; L97-M108 HydrophobicContact CB-CE 4.34Å; L97-M108 HydrophobicContact CB-SD 3.97Å; L97-M108 HydrophobicContact CD1-SD 4.02Å; L97-M108 HydrophobicContact CD2-SD 4.28Å; L97-M108 HydrophobicContact CG-SD 4.32Å; M104-M108 HydrophobicContact CE-SD 3.98Å; M104-M108 HydrophobicContact CG-CG 4.35Å; M104-M108 HydrophobicContact CG-SD 4.01Å; M104-M108 WeakPolarHBondContact O-CB 3.31Å; M104-M108 VanDerWaalsContact O-CG 3.29Å; M104-M108 WeakPolarHBondContact O-CG 3.31Å; M104-M108 PolarHBondContact O-N 3.07Å; L105-M108 PolarHBondContact O-N 3.47Å; M108-V110 VanDerWaalsContact C-N 3.32Å; M108-V110 PolarHBondContact O-N 3.03Å; M108-E111 PolarHBondContact O-N 2.79Å; M108-E112 WeakPolarHBondContact O-CB 3.41Å; M108-E112 WeakPolarHBondContact O-CG 3.3Å; M108-E112 PolarHBondContact O-N 2.78Å
109	I	87.9	Confident	81.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-45.4	174.9	-68.8	164.8	0	0	0	110.9	V31 L49 I52 L56 L61 F63 F87 L105 Q106 R107 L113	V31-I109 HydrophobicContact CG2-CG1 4.09Å; L49-I109 HydrophobicContact CD2-CD1 3.89Å; I52-I109 HydrophobicContact CD1-CD1 3.79Å; I52-I109 HydrophobicContact CG2-CG2 3.93Å; L56-I109 HydrophobicContact CD1-CG2 4.31Å; L61-I109 HydrophobicContact CD1-CG2 3.77Å; L61-I109 HydrophobicContact CD2-CG2 3.8Å; L61-I109 HydrophobicContact CG-CG2 4.46Å; F63-I109 HydrophobicContact CE1-CD1 3.88Å; F63-I109 HydrophobicContact CZ-CD1 4.35Å; F87-I109 HydrophobicContact CE1-CG1 3.76Å; F87-I109 HydrophobicContact CZ-CG1 4.33Å; L105-I109 HydrophobicContact CD1-CD1 3.85Å; L105-I109 HydrophobicContact CD1-CG1 4.2Å; L105-I109 HydrophobicContact CG-CD1 3.93Å; L105-I109 WeakPolarHBondContact O-CD1 3.25Å; L105-I109 WeakPolarHBondContact O-CG1 3.42Å; L105-I109 PolarHBondContact O-N 3.1Å; Q106-I109 PolarHBondContact O-N 3.46Å; R107-I109 VanDerWaalsContact C-N 3.31Å; R107-I109 PolarHBondContact O-N 3.36Å; I109-L113 WeakPolarHBondContact O-CB 3.38Å; I109-L113 PolarHBondContact O-N 3.45Å
110	V	86.8	Confident	81.5	Confident	68 Å²	68	58 Å²	58	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-67.5	-46	-179.3	174.7	0	0	0	0	111.4	L56 Q106 R107 M108 A114	L56-V110 HydrophobicContact CD1-CG2 4.24Å; L56-V110 HydrophobicContact CD2-CG2 4.39Å; Q106-V110 WeakPolarHBondContact O-CG2 3.46Å; Q106-V110 PolarHBondContact O-N 3.48Å; R107-V110 PolarHBondContact O-N 3.2Å; R107-V110 VanDerWaalsContact O-N 3.14Å; M108-V110 VanDerWaalsContact C-N 3.32Å; M108-V110 PolarHBondContact O-N 3.03Å; V110-A114 WeakPolarHBondContact O-CB 3.33Å; V110-A114 PolarHBondContact O-N 3.25Å
111	E	86.5	Confident	82	Confident	70 Å²	70	61.6 Å²	61.6	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-66.2	-48.1	-178.2	-72	-179.8	-178.9	0	0	112.3	R107 M108 L113 A114 K115	R107-E111 HydrophobicContact CG-CG 4.36Å; R107-E111 WeakPolarHBondContact CG-OE1 3.33Å; R107-E111 IonicContact CZ-OE1 3.11Å; R107-E111 IonicContact NE-OE1 3.84Å; R107-E111 PolarHBondContact NE-OE1 3.15Å; R107-E111 IonicContact NH2-OE1 2.88Å; R107-E111 PolarHBondContact NH2-OE1 3.04Å; R107-E111 WeakPolarHBondContact O-CG 3.34Å; R107-E111 PolarHBondContact O-N 3Å; M108-E111 PolarHBondContact O-N 2.79Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.41Å; E111-A114 PolarHBondContact O-N 2.84Å; E111-K115 WeakPolarHBondContact O-CG 3.31Å; E111-K115 PolarHBondContact O-N 3.42Å
112	E	87.1	Confident	81.8	Confident	25 Å²	25	64.4 Å²	64.4	12%	0.117	33%	0.327	C	S	.	.	H	α-helix	trans	-69.5	-31.9	179.9	-65	-51.2	130	0	0	111.9	L29 F87 A95 M108 K115 E116	L29-E112 HydrophobicContact CD1-CB 3.95Å; L29-E112 HydrophobicContact CD2-CB 3.86Å; F87-E112 HydrophobicContact CD1-CG 4.47Å; A95-E112 HydrophobicContact CB-CG 4.17Å; M108-E112 WeakPolarHBondContact O-CB 3.41Å; M108-E112 WeakPolarHBondContact O-CG 3.3Å; M108-E112 PolarHBondContact O-N 2.78Å; E112-K115 PolarHBondContact O-N 3.28Å; E112-K115 IonicContact OE1-NZ 3.54Å; E112-K115 PolarHBondContact OE1-NZ 3.42Å; E112-E116 WeakPolarHBondContact O-CB 3.24Å; E112-E116 PolarHBondContact O-N 3.45Å
113	L	87.3	Confident	81.1	Confident	5 Å²	5	65.6 Å²	65.6	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-67.9	-39.7	174.5	-177.6	66.1	0	0	0	111.2	L29 L56 D58 L60 L61 I109 E111 K115 E116 K117	L29-L113 HydrophobicContact CB-CD1 4.13Å; L29-L113 HydrophobicContact CD2-CB 4.03Å; L56-L113 HydrophobicContact CD1-CD2 4.02Å; D58-L113 HydrophobicContact CB-CD2 4.1Å; L60-L113 HydrophobicContact CB-CD1 4.14Å; L61-L113 HydrophobicContact CB-CD1 4.14Å; L61-L113 HydrophobicContact CB-CD2 4.17Å; L61-L113 HydrophobicContact CD2-CD2 4.32Å; I109-L113 WeakPolarHBondContact O-CB 3.38Å; I109-L113 PolarHBondContact O-N 3.45Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.41Å; L113-K115 VanDerWaalsContact C-N 3.35Å; L113-E116 PolarHBondContact O-N 2.92Å; L113-K117 WeakPolarHBondContact O-CG 3.17Å; L113-K117 PolarHBondContact O-N 3.44Å
114	A	84.9	Confident	80.1	Confident	57 Å²	57	63.5 Å²	63.5	47%	0.471	33%	0.331	S	S	.	.	H	α-helix	trans	-63.6	-40.9	174.6	0	0	0	0	0	111.7	V110 E111 K117 L118	V110-A114 WeakPolarHBondContact O-CB 3.33Å; V110-A114 PolarHBondContact O-N 3.25Å; E111-A114 PolarHBondContact O-N 2.84Å; A114-K117 PolarHBondContact O-N 2.91Å; A114-L118 PolarHBondContact O-N 2.78Å; A114-L118 VanDerWaalsContact O-N 3.12Å
115	K	84.9	Confident	79.2	Confident	107 Å²	107	62.7 Å²	62.7	47%	0.465	35%	0.346	S	S	.	.	H	α-helix	trans	-64.4	-44.8	174.9	-69.7	171	-168.4	166.9	0	112	E111 E112 L113 K117 L118 V119	E111-K115 WeakPolarHBondContact O-CG 3.31Å; E111-K115 PolarHBondContact O-N 3.42Å; E112-K115 PolarHBondContact O-N 3.28Å; E112-K115 IonicContact OE1-NZ 3.54Å; E112-K115 PolarHBondContact OE1-NZ 3.42Å; L113-K115 VanDerWaalsContact C-N 3.35Å; K115-K117 VanDerWaalsContact C-N 3.3Å; K115-K117 PolarHBondContact O-N 3.11Å; K115-L118 WeakPolarHBondContact O-CB 3.47Å; K115-L118 PolarHBondContact O-N 3.38Å; K115-L118 VanDerWaalsContact O-N 3.13Å; K115-V119 WeakPolarHBondContact O-CG2 3.47Å; K115-V119 PolarHBondContact O-N 3.06Å
116	E	84.4	Confident	78.8	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.033	36%	0.362	C	S	.	.	H	α-helix	trans	-63.5	-36.9	179.4	-174.8	61.3	-163.6	0	0	111.6	E112 L113 V119 M120 R126	E112-E116 WeakPolarHBondContact O-CB 3.24Å; E112-E116 PolarHBondContact O-N 3.45Å; L113-E116 PolarHBondContact O-N 2.92Å; E116-V119 PolarHBondContact O-N 2.86Å; E116-M120 WeakPolarHBondContact O-CB 3.36Å; E116-M120 WeakPolarHBondContact O-CG 3.48Å; E116-M120 PolarHBondContact O-N 3.05Å; E116-M120 WeakPolarHBondContact OE1-CE 3.45Å; E116-R126 IonicContact OE1-NE 2.77Å; E116-R126 IonicContact OE1-NH2 2.64Å; E116-R126 IonicContact OE2-NE 3.18Å
117	K	84.1	Confident	78.1	Confident	71 Å²	71	72.5 Å²	72.5	31%	0.309	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-45.1	171.5	-73.4	174.9	-179.3	-177.1	0	112.3	D58 L60 L113 A114 K115 V119 M120 E121	D58-K117 WeakPolarHBondContact OD2-CE 3.38Å; D58-K117 IonicContact OD2-NZ 3.85Å; D58-K117 PolarHBondContact OD2-NZ 3.23Å; L60-K117 HydrophobicContact CD1-CG 3.98Å; L113-K117 WeakPolarHBondContact O-CG 3.17Å; L113-K117 PolarHBondContact O-N 3.44Å; A114-K117 PolarHBondContact O-N 2.91Å; K115-K117 VanDerWaalsContact C-N 3.3Å; K115-K117 PolarHBondContact O-N 3.11Å; K117-V119 PolarHBondContact O-N 3.36Å; K117-M120 PolarHBondContact O-N 3.1Å; K117-E121 WeakPolarHBondContact O-CB 3.3Å; K117-E121 WeakPolarHBondContact O-CG 3.29Å; K117-E121 PolarHBondContact O-N 3.23Å
118	L	81.1	Confident	77.6	Confident	77 Å²	77	68.4 Å²	68.4	40%	0.403	38%	0.378	S	S	.	.	H	α-helix	trans	-62.6	-42.6	178.3	-163	80.8	0	0	0	111.7	A114 K115 M120 E121 Q122	A114-L118 PolarHBondContact O-N 2.78Å; A114-L118 VanDerWaalsContact O-N 3.12Å; K115-L118 WeakPolarHBondContact O-CB 3.47Å; K115-L118 PolarHBondContact O-N 3.38Å; K115-L118 VanDerWaalsContact O-N 3.13Å; L118-M120 VanDerWaalsContact C-N 3.31Å; L118-M120 PolarHBondContact O-N 3.43Å; L118-E121 PolarHBondContact O-N 3.02Å; L118-Q122 HydrophobicContact CD1-CG 4.32Å; L118-Q122 WeakPolarHBondContact O-CB 3.4Å; L118-Q122 PolarHBondContact O-N 2.89Å
119	V	82.4	Confident	77.2	Confident	22 Å²	22	69.9 Å²	69.9	13%	0.133	39%	0.388	C	S	.	.	H	α-helix	trans	-59.1	-43.4	174.4	166.2	0	0	0	0	110.8	K115 E116 K117 G123 S124 R126	K115-V119 WeakPolarHBondContact O-CG2 3.47Å; K115-V119 PolarHBondContact O-N 3.06Å; E116-V119 PolarHBondContact O-N 2.86Å; K117-V119 PolarHBondContact O-N 3.36Å; V119-G123 WeakPolarHBondContact O-CA 3.4Å; V119-G123 PolarHBondContact O-N 2.92Å; V119-S124 WeakPolarHBondContact CG1-O 3.43Å; V119-R126 HydrophobicContact CG1-CG 3.94Å
120	M	75.8	Confident	76	Confident	74 Å²	74	77.1 Å²	77.1	37%	0.365	42%	0.42	S	S	.	.	H	α-helix	trans	-71.4	-32	179.6	-72.4	-80.3	-175.2	0	0	113.7	K27 E116 K117 L118	K27-M120 HydrophobicContact CG-CE 3.72Å; K27-M120 HydrophobicContact CG-SD 4.49Å; E116-M120 WeakPolarHBondContact O-CB 3.36Å; E116-M120 WeakPolarHBondContact O-CG 3.48Å; E116-M120 PolarHBondContact O-N 3.05Å; E116-M120 WeakPolarHBondContact OE1-CE 3.45Å; K117-M120 PolarHBondContact O-N 3.1Å; L118-M120 VanDerWaalsContact C-N 3.31Å; L118-M120 PolarHBondContact O-N 3.43Å
121	E	75.8	Confident	74.9	Confident	154 Å²	154	75.1 Å²	75.1	72%	0.72	41%	0.407	S	S	*	.	H	α-helix	trans	-85.9	-37.9	-179.5	-73.8	178.1	-178.1	0	0	113.4	K117 L118	K117-E121 WeakPolarHBondContact O-CB 3.3Å; K117-E121 WeakPolarHBondContact O-CG 3.29Å; K117-E121 PolarHBondContact O-N 3.23Å; L118-E121 PolarHBondContact O-N 3.02Å
122	Q	72.3	Confident	73.1	Confident	131 Å²	131	79.7 Å²	79.7	61%	0.612	43%	0.426	S	S	*	.	H	α-helix	trans	-113.8	-4.5	-169.3	-57.5	-176.1	1.8	0	0	113.9	L118 S124	L118-Q122 HydrophobicContact CD1-CG 4.32Å; L118-Q122 WeakPolarHBondContact O-CB 3.4Å; L118-Q122 PolarHBondContact O-N 2.89Å; Q122-S124 PolarHBondContact O-N 3.43Å
123	G	59.9	Low	71.1	Confident	67 Å²	67	80.9 Å²	80.9	69%	0.691	45%	0.445	S	S	*	.			trans	67.1	20.6	179.7	0	0	0	0	0	114.2	V119	V119-G123 WeakPolarHBondContact O-CA 3.4Å; V119-G123 PolarHBondContact O-N 2.92Å
124	S	55.2	Low	69.1	Low	54 Å²	54	82.8 Å²	82.8	38%	0.378	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-61.7	144.6	173.7	-62.5	0	0	0	0	111.2	V119 Q122	V119-S124 WeakPolarHBondContact CG1-O 3.43Å; Q122-S124 PolarHBondContact O-N 3.43Å
125	G	57	Low	66.6	Low	74 Å²	74	87 Å²	87	76%	0.763	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-66.4	141.2	179.3	0	0	0	0	0	112.7
126	R	71.3	Confident	64.3	Low	89 Å²	89	87.9 Å²	87.9	34%	0.336	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-70.6	137.3	175	-68.4	-173.6	-178.2	89	5.4	110.8	G89 E92 E116 V119 V128	G89-R126 VanDerWaalsContact O-CD 3.31Å; G89-R126 WeakPolarHBondContact O-CD 3.44Å; G89-R126 PolarHBondContact O-NE 2.87Å; E92-R126 WeakPolarHBondContact OE2-CB 3.35Å; E92-R126 WeakPolarHBondContact OE2-CD 3.33Å; E116-R126 IonicContact OE1-NE 2.77Å; E116-R126 IonicContact OE1-NH2 2.64Å; E116-R126 IonicContact OE2-NE 3.18Å; V119-R126 HydrophobicContact CG1-CG 3.94Å; R126-V128 PolarHBondContact O-N 2.85Å
127	K	70.2	Confident	61.9	Low	185 Å²	185	93.7 Å²	93.7	80%	0.804	51%	0.505	S	S	*	.			trans	-90.3	93.4	173.5	-169.3	178.7	-179.5	-178.2	0	109	V129	K127-V129 PolarHBondContact O-N 3.12Å
128	V	71.9	Confident	59.5	Low	76 Å²	76	99.3 Å²	99.3	46%	0.461	53%	0.533	S	S	.	.			trans	-72	126.2	-179.8	-173.6	0	0	0	0	110.5	E92 R126	E92-V128 HydrophobicContact CB-CG2 4.08Å; E92-V128 VanDerWaalsContact CD-CG2 3.45Å; E92-V128 HydrophobicContact CG-CG2 4.26Å; E92-V128 VanDerWaalsContact OE2-CG2 3.28Å; E92-V128 WeakPolarHBondContact OE2-CG2 3.33Å; R126-V128 PolarHBondContact O-N 2.85Å
129	V	74.9	Confident	57.2	Low	54 Å²	54	101.9 Å²	101.9	33%	0.327	54%	0.541	S	S	.	.			trans	-93.3	127.4	174	173.9	0	0	0	0	109.3	L93 V94 K127	L93-V129 PolarHBondContact O-N 2.85Å; V94-V129 WeakPolarHBondContact O-CG2 3.37Å; K127-V129 PolarHBondContact O-N 3.12Å
130	K	63.4	Low	54.7	Low	153 Å²	153	107.3 Å²	107.3	67%	0.665	56%	0.559	S	S	*	*			trans	-89.3	114.1	166.8	-72.6	-177	179.2	-178.3	0	108.4	F132	K130-F132 HydrophobicContact CB-CD2 3.84Å; K130-F132 HydrophobicContact CB-CE1 4.3Å; K130-F132 HydrophobicContact CB-CE2 3.34Å; K130-F132 HydrophobicContact CB-CZ 3.61Å; K130-F132 HydrophobicContact CD-CE1 4.22Å; K130-F132 HydrophobicContact CD-CE2 4.03Å; K130-F132 HydrophobicContact CD-CZ 3.49Å; K130-F132 VanDerWaalsContact CD-CZ 3.49Å; K130-F132 HydrophobicContact CG-CE2 4.31Å; K130-F132 HydrophobicContact CG-CZ 4.2Å; K130-F132 WeakPolarHBondContact O-CD2 3.37Å; K130-F132 PolarHBondContact O-N 3.25Å; K130-F132 VanDerWaalsContact O-N 3.11Å
131	D	61.9	Low	52.5	Low	25 Å²	25	112.5 Å²	112.5	13%	0.134	58%	0.582	C	S	.	*			trans	-78.8	93.8	172.3	167.5	50.7	0	0	0	109.7	K76 Y77 L93 V96 R98 G133	K76-D131 WeakPolarHBondContact CE-OD2 3.29Å; K76-D131 PolarHBondContact NZ-O 3.37Å; K76-D131 IonicContact NZ-OD2 2.97Å; K76-D131 PolarHBondContact NZ-OD2 3.24Å; Y77-D131 VanDerWaalsContact CE1-OD2 3.3Å; Y77-D131 WeakPolarHBondContact CE1-OD2 3.29Å; Y77-D131 VanDerWaalsContact CZ-OD2 3.26Å; Y77-D131 PolarHBondContact OH-OD2 2.65Å; L93-D131 HydrophobicContact CD2-CB 4.04Å; V96-D131 HydrophobicContact CG2-CB 4.03Å; R98-D131 IonicContact CZ-OD1 2.76Å; R98-D131 VanDerWaalsContact NH2-CG 3.34Å; R98-D131 IonicContact NH2-OD1 2.67Å; R98-D131 PolarHBondContact NH2-OD1 3.44Å; R98-D131 IonicContact NH2-OD2 3.74Å; R98-D131 PolarHBondContact NH2-OD2 3.01Å; R98-D131 VanDerWaalsContact NH2-OD2 3.15Å; D131-G133 VanDerWaalsContact C-N 3.28Å; D131-G133 PolarHBondContact OD1-N 2.91Å
132	F	49.3	Very low	50.4	Low	167 Å²	167	112.1 Å²	112.1	73%	0.732	58%	0.581	S	S	*	*			trans	-83.9	4.2	177	-66.7	-75.7	0	0	0	113.4	K130 L134	K130-F132 HydrophobicContact CB-CD2 3.84Å; K130-F132 HydrophobicContact CB-CE1 4.3Å; K130-F132 HydrophobicContact CB-CE2 3.34Å; K130-F132 HydrophobicContact CB-CZ 3.61Å; K130-F132 HydrophobicContact CD-CE1 4.22Å; K130-F132 HydrophobicContact CD-CE2 4.03Å; K130-F132 HydrophobicContact CD-CZ 3.49Å; K130-F132 VanDerWaalsContact CD-CZ 3.49Å; K130-F132 HydrophobicContact CG-CE2 4.31Å; K130-F132 HydrophobicContact CG-CZ 4.2Å; K130-F132 WeakPolarHBondContact O-CD2 3.37Å; K130-F132 PolarHBondContact O-N 3.25Å; K130-F132 VanDerWaalsContact O-N 3.11Å; F132-L134 PolarHBondContact O-N 3.01Å
133	G	45.5	Very low	48.2	Very low	50 Å²	50	111.7 Å²	111.7	52%	0.515	58%	0.577	S	S	.	*			trans	-70	2.3	-168.4	0	0	0	0	0	116.1	D131	D131-G133 VanDerWaalsContact C-N 3.28Å; D131-G133 PolarHBondContact OD1-N 2.91Å
134	L	45.3	Very low	46.6	Very low	45 Å²	45	116.8 Å²	116.8	24%	0.236	58%	0.583	C	S	.	*			trans	-148.4	96.8	-170.8	-86.2	159.7	0	0	0	112.8	K76 Y77 K80 F132	K76-L134 HydrophobicContact CB-CB 4.5Å; K76-L134 WeakPolarHBondContact O-CD1 3.47Å; Y77-L134 HydrophobicContact CD1-CD1 4.13Å; K80-L134 HydrophobicContact CD-CD1 3.76Å; K80-L134 HydrophobicContact CD-CD2 4.18Å; K80-L134 HydrophobicContact CD-CG 4.47Å; K80-L134 VanDerWaalsContact CE-CD1 3.46Å; F132-L134 PolarHBondContact O-N 3.01Å
135	L	32.7	Very low	45.4	Very low	144 Å²	144	122 Å²	122	75%	0.754	61%	0.605	S	S	*	*			trans	-126.3	140.5	158.1	-78.4	167	0	0	0	107.6
136	D	35.4	Very low	44.2	Very low	127 Å²	127	125 Å²	125	68%	0.679	60%	0.599	S	S	*	*			trans	-31.4	137.5	-163.8	-58.8	-49.7	0	0	0	118.5	E138 K139	D136-E138 PolarHBondContact O-N 3.07Å; D136-K139 PolarHBondContact O-N 3.19Å
137	E	34.9	Very low	41.9	Very low	128 Å²	128	129 Å²	129	60%	0.598	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-54.8	-15	177.7	-68	-92.6	158.6	0	0	114.1	K139 R140	E137-K139 VanDerWaalsContact C-N 3.25Å; E137-K139 PolarHBondContact O-N 2.77Å; E137-R140 PolarHBondContact O-N 3.46Å; E137-R140 IonicContact OE1-CZ 3.35Å; E137-R140 IonicContact OE1-NH1 3.87Å; E137-R140 PolarHBondContact OE1-NH1 3.36Å; E137-R140 IonicContact OE2-CZ 3.79Å; E137-R140 IonicContact OE2-NH1 3.31Å; E137-R140 PolarHBondContact OE2-NH1 3.05Å
138	E	33.3	Very low	40	Very low	189 Å²	189	125.3 Å²	125.3	88%	0.883	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-75.8	-10.7	175.1	-69.4	-177.7	159.9	0	0	113.4	D136	D136-E138 PolarHBondContact O-N 3.07Å
139	K	33	Very low	37.9	Very low	131 Å²	131	129.1 Å²	129.1	57%	0.57	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-102.1	6.6	172.9	-70.6	-173.7	176.5	-177.9	0	114	D136 E137 E142 K143	D136-K139 PolarHBondContact O-N 3.19Å; E137-K139 VanDerWaalsContact C-N 3.25Å; E137-K139 PolarHBondContact O-N 2.77Å; K139-E142 PolarHBondContact O-N 2.91Å; K139-K143 PolarHBondContact O-N 3.46Å
140	R	30.5	Very low	35.7	Very low	136 Å²	136	132.1 Å²	132.1	51%	0.513	64%	0.644	S	S	.	*	H	α-helix	trans	-72.4	-29.9	-176.8	-120.2	176.5	178.7	172.4	4	113	E137 E142 K143 E144	E137-R140 PolarHBondContact O-N 3.46Å; E137-R140 IonicContact OE1-CZ 3.35Å; E137-R140 IonicContact OE1-NH1 3.87Å; E137-R140 PolarHBondContact OE1-NH1 3.36Å; E137-R140 IonicContact OE2-CZ 3.79Å; E137-R140 IonicContact OE2-NH1 3.31Å; E137-R140 PolarHBondContact OE2-NH1 3.05Å; R140-E142 VanDerWaalsContact C-N 3.3Å; R140-E142 PolarHBondContact O-N 3.4Å; R140-K143 PolarHBondContact O-N 2.78Å; R140-E144 PolarHBondContact O-N 2.92Å
141	E	29.8	Very low	34.2	Very low	183 Å²	183	130.1 Å²	130.1	86%	0.855	64%	0.637	S	S	*	*	H	α-helix	trans	-73.7	-19.6	175.2	-68.1	-176.3	167.1	0	0	113
142	E	30	Very low	32.8	Very low	147 Å²	147	135.8 Å²	135.8	69%	0.687	66%	0.662	S	S	*	*	H	α-helix	trans	-93.3	-13.1	173.1	-74.1	-176.8	158.1	0	0	113.8	K139 R140	K139-E142 PolarHBondContact O-N 2.91Å; R140-E142 VanDerWaalsContact C-N 3.3Å; R140-E142 PolarHBondContact O-N 3.4Å
143	K	26.9	Very low	32.2	Very low	122 Å²	122	130.7 Å²	130.7	53%	0.53	65%	0.647	S	S	.	*	H	α-helix	trans	-107.3	-9.5	-175.9	-87.2	-174.3	173.7	-175.8	0	116	K139 R140 L145 Q146	K139-K143 PolarHBondContact O-N 3.46Å; R140-K143 PolarHBondContact O-N 2.78Å; K143-L145 PolarHBondContact O-N 3.22Å; K143-Q146 CarbonylContact O-C 3.5Å; K143-Q146 PolarHBondContact O-N 3.08Å
144	E	26.1	Very low	31.9	Very low	174 Å²	174	130.9 Å²	130.9	81%	0.813	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-7.2	165.4	-75.9	-172.9	162.9	0	0	113	R140	R140-E144 PolarHBondContact O-N 2.92Å
145	L	30.8	Very low	31.7	Very low	162 Å²	162	134.7 Å²	134.7	85%	0.848	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	7.6	165.6	-91.9	134.2	0	0	0	114	K143	K143-L145 PolarHBondContact O-N 3.22Å
146	Q	30.8	Very low	32.3	Very low	138 Å²	138	128.1 Å²	128.1	65%	0.645	62%	0.623	S	S	*	*			trans	-140.9	68.7	177.2	-68.3	178.5	10.3	0	0	110.7	K143	K143-Q146 CarbonylContact O-C 3.5Å; K143-Q146 PolarHBondContact O-N 3.08Å
147	Q	23.7	Very low	32.7	Very low	174 Å²	174	125.4 Å²	125.4	81%	0.813	61%	0.613	S	S	*	*			trans	-72.2	127.4	137.6	-75.2	-175.3	13.7	0	0	106.2	Q149	Q147-Q149 PolarHBondContact O-N 3.19Å
148	P	29.1	Very low	33.2	Very low	106 Å²	106	121.9 Å²	121.9	69%	0.688	61%	0.606	S	S	*	*			trans	-62.8	105.6	151.3	27.8	-24.4	0	0	0	104.6	N150	P148-N150 PolarHBondContact O-N 2.97Å
149	Q	29.1	Very low	33.8	Very low	157 Å²	157	117.6 Å²	117.6	73%	0.734	60%	0.596	S	S	*	*			trans	-53.6	88.8	137.4	-73.8	-177.2	-29.8	0	0	104.4	Q147 E151	Q147-Q149 PolarHBondContact O-N 3.19Å; Q149-E151 HydrophobicContact CB-CG 4.37Å; Q149-E151 PolarHBondContact O-N 3.26Å
150	N	28.6	Very low	35	Very low	117 Å²	117	113.5 Å²	113.5	63%	0.626	58%	0.579	S	S	*	*			trans	-71.2	74.8	162.1	-135.9	39.4	0	0	0	104	P148 E152	P148-N150 PolarHBondContact O-N 2.97Å; N150-E152 PolarHBondContact O-N 2.67Å
151	E	31.9	Very low	36.9	Very low	110 Å²	110	109 Å²	109	51%	0.514	57%	0.568	S	S	.	*			trans	-65.5	64.7	147.6	-67	-177.6	158.5	0	0	106.2	Q149 S153 N299	Q149-E151 HydrophobicContact CB-CG 4.37Å; Q149-E151 PolarHBondContact O-N 3.26Å; E151-S153 VanDerWaalsContact C-N 3.29Å; E151-S153 PolarHBondContact O-N 3.49Å; E151-N299 HydrophobicContact CB-CB 4.46Å; E151-N299 HydrophobicContact CG-CB 4.42Å; E151-N299 PolarHBondContact OE1-ND2 3.09Å; E151-N299 VanDerWaalsContact OE2-CG 3.29Å; E151-N299 PolarHBondContact OE2-ND2 2.78Å
152	E	32.7	Very low	39.3	Very low	145 Å²	145	102.1 Å²	102.1	68%	0.678	53%	0.534	S	S	*	.			trans	-59.4	110.1	149.5	-94.7	178.2	164.6	0	0	104	N150 V154	N150-E152 PolarHBondContact O-N 2.67Å; E152-V154 PolarHBondContact O-N 3.39Å
153	S	35.4	Very low	41.8	Very low	59 Å²	59	95.1 Å²	95.1	41%	0.413	50%	0.502	S	S	.	.			trans	-48.2	108.9	164.5	54	0	0	0	0	106.7	E151 I155	E151-S153 VanDerWaalsContact C-N 3.29Å; E151-S153 PolarHBondContact O-N 3.49Å; S153-I155 VanDerWaalsContact C-N 3.28Å; S153-I155 PolarHBondContact O-N 2.78Å
154	V	40.3	Very low	44.6	Very low	54 Å²	54	89.3 Å²	89.3	33%	0.327	48%	0.476	S	S	.	.			trans	-72.6	94.1	173.7	-178.9	0	0	0	0	105.5	E152 V156 F300	E152-V154 PolarHBondContact O-N 3.39Å; V154-V156 HydrophobicContact CG1-CG2 3.96Å; V154-V156 PolarHBondContact O-N 2.91Å; V154-F300 HydrophobicContact CB-CD2 4.24Å; V154-F300 HydrophobicContact CB-CE2 4.12Å; V154-F300 HydrophobicContact CG1-CE2 4.14Å
155	I	41.8	Very low	47.4	Very low	125 Å²	125	81 Å²	81	64%	0.641	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	107	178.1	-59.9	171.8	0	0	0	107.2	S153	S153-I155 VanDerWaalsContact C-N 3.28Å; S153-I155 PolarHBondContact O-N 2.78Å
156	V	44.3	Very low	50.1	Low	6 Å²	6	73.3 Å²	73.3	4%	0.036	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	131.4	177.8	-168.7	0	0	0	0	109.1	V154 A158 K160 L192 F300 A303	V154-V156 HydrophobicContact CG1-CG2 3.96Å; V154-V156 PolarHBondContact O-N 2.91Å; V156-A158 PolarHBondContact O-N 3.42Å; V156-K160 HydrophobicContact CG1-CB 4.09Å; V156-K160 HydrophobicContact CG1-CD 4.28Å; V156-L192 HydrophobicContact CB-CD1 4.46Å; V156-L192 HydrophobicContact CG1-CD1 3.87Å; V156-L192 HydrophobicContact CG2-CD1 3.69Å; V156-F300 HydrophobicContact CG2-CE1 3.9Å; V156-F300 HydrophobicContact CG2-CE2 4.35Å; V156-F300 HydrophobicContact CG2-CZ 3.56Å; V156-A303 WeakPolarHBondContact O-CB 3.43Å; V156-A303 PolarHBondContact O-N 2.91Å
157	P	43.6	Very low	52.8	Low	70 Å²	70	66.8 Å²	66.8	46%	0.455	37%	0.367	S	S	.	.			trans	-54.6	139	176.5	-23.5	31.9	0	0	0	112.3	S159 K160	P157-S159 PolarHBondContact O-N 3.38Å; P157-K160 PolarHBondContact O-N 2.97Å; P157-K160 VanDerWaalsContact O-N 3.09Å
158	A	45.1	Very low	55.8	Low	55 Å²	55	58.9 Å²	58.9	46%	0.455	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-14.1	-176.6	0	0	0	0	0	114.1	V156 A303	V156-A158 PolarHBondContact O-N 3.42Å; A158-A303 HydrophobicContact CB-CB 4Å
159	S	47.2	Very low	58.4	Low	98 Å²	98	54.1 Å²	54.1	69%	0.685	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.2	179.6	54.7	0	0	0	0	114.3	P157	P157-S159 PolarHBondContact O-N 3.38Å
160	K	58.3	Low	61	Low	46 Å²	46	47.4 Å²	47.4	20%	0.2	27%	0.268	C	S	.	.			trans	-105.2	123.2	-176.9	-69.5	-170	175.1	-173.3	0	111.9	V156 P157 E190	V156-K160 HydrophobicContact CG1-CB 4.09Å; V156-K160 HydrophobicContact CG1-CD 4.28Å; P157-K160 PolarHBondContact O-N 2.97Å; P157-K160 VanDerWaalsContact O-N 3.09Å; K160-E190 IonicContact NZ-OE1 2.78Å; K160-E190 IonicContact NZ-OE2 3.87Å; K160-E190 PolarHBondContact NZ-OE2 3.45Å
161	S	69.8	Low	63.3	Low	40 Å²	40	41.9 Å²	41.9	28%	0.28	24%	0.239	S	C	.	.			trans	-76.4	139.8	170.6	62.1	0	0	0	0	111.2	I243	S161-I243 VanDerWaalsContact C-CG2 3.48Å; S161-I243 WeakPolarHBondContact O-CG2 3.36Å; S161-I243 WeakPolarHBondContact OG-CB 3.3Å; S161-I243 WeakPolarHBondContact OG-CG2 3.38Å; S161-I243 PolarHBondContact OG-N 2.93Å
162	Y	79.6	Confident	65.7	Low	39 Å²	39	37.7 Å²	37.7	15%	0.153	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	159.7	-178.7	54.4	-86.3	0	0	0	112.9	L234 I243 S290 L293 T302	Y162-L234 CarbonylContact C-O 3.57Å; Y162-L234 WeakPolarHBondContact CA-O 3.39Å; Y162-L234 WeakPolarHBondContact CB-O 3.5Å; Y162-I243 VanDerWaalsContact C-CG2 3.43Å; Y162-I243 WeakPolarHBondContact O-CG2 3.21Å; Y162-S290 PolarHBondContact OH-OG 2.82Å; Y162-L293 HydrophobicContact CD2-CD2 3.84Å; Y162-L293 HydrophobicContact CE2-CD2 3.47Å; Y162-L293 VanDerWaalsContact CE2-CD2 3.47Å; Y162-T302 HydrophobicContact CD1-CG2 4.13Å; Y162-T302 HydrophobicContact CE1-CG2 3.23Å; Y162-T302 WeakPolarHBondContact OH-CG2 3.43Å
163	T	83.8	Confident	67.9	Low	0 Å²	0	35 Å²	35	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.6	173.1	-172.2	0	0	0	0	110.3	L234 I243 W247 S283	T163-L234 HydrophobicContact CG2-CB 3.97Å; T163-L234 HydrophobicContact CG2-CD1 4.49Å; T163-L234 PolarHBondContact N-O 3.29Å; T163-L234 PolarHBondContact O-N 3.17Å; T163-I243 HydrophobicContact CG2-CD1 3.96Å; T163-I243 HydrophobicContact CG2-CG1 3.89Å; T163-I243 HydrophobicContact CG2-CG2 4.28Å; T163-W247 HydrophobicContact CG2-CB 3.99Å; T163-W247 HydrophobicContact CG2-CG 3.87Å; T163-S283 PolarHBondContact OG1-OG 2.88Å
164	V	84	Confident	69.8	Low	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.5	171.4	-179.4	0	0	0	0	109.4	I166 I231 S283 E292 L293 F296	V164-I166 HydrophobicContact CG1-CG1 4.17Å; V164-I231 HydrophobicContact CG1-CG2 4.02Å; V164-S283 PolarHBondContact O-OG 3.01Å; V164-E292 HydrophobicContact CB-CB 4.09Å; V164-E292 HydrophobicContact CG1-CB 4.4Å; V164-E292 HydrophobicContact CG2-CB 3.95Å; V164-L293 HydrophobicContact CG2-CB 3.99Å; V164-L293 HydrophobicContact CG2-CD1 4.31Å; V164-F296 HydrophobicContact CG1-CD2 4.24Å
165	A	85.6	Confident	71.5	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	127.9	173.6	0	0	0	0	0	109.3	L232 L234 W247	A165-L232 HydrophobicContact CB-CB 4.25Å; A165-L232 PolarHBondContact N-O 2.84Å; A165-L232 PolarHBondContact O-N 2.98Å; A165-L234 HydrophobicContact CB-CD1 3.57Å; A165-L234 HydrophobicContact CB-CG 3.95Å; A165-W247 HydrophobicContact CB-CH2 4.17Å; A165-W247 HydrophobicContact CB-CZ2 3.35Å
166	I	87.7	Confident	73.4	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.3	178.3	-46.9	172.4	0	0	0	108.2	V164 F207 M224 H230 I231 V280 H281 F296	V164-I166 HydrophobicContact CG1-CG1 4.17Å; I166-F207 HydrophobicContact CD1-CE1 3.79Å; I166-F207 HydrophobicContact CD1-CZ 3.66Å; I166-M224 HydrophobicContact CG2-CE 4.22Å; I166-H230 CarbonylContact C-O 3.5Å; I166-H230 WeakPolarHBondContact CA-O 3.4Å; I166-I231 HydrophobicContact CG2-CG1 4.47Å; I166-V280 CarbonylContact O-C 3.39Å; I166-V280 WeakPolarHBondContact O-CA 3.41Å; I166-H281 HydrophobicContact CB-CB 3.8Å; I166-H281 HydrophobicContact CD1-CB 4.28Å; I166-H281 HydrophobicContact CG1-CB 4.15Å; I166-H281 PolarHBondContact N-O 2.97Å; I166-H281 PolarHBondContact O-N 2.93Å; I166-F296 HydrophobicContact CD1-CE2 3.7Å; I166-F296 HydrophobicContact CD1-CZ 3.98Å; I166-F296 HydrophobicContact CG1-CE2 4.4Å
167	I	88	Confident	75	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.3	166.8	-53.2	176.2	0	0	0	106.5	A171 V172 A177 I180 I181 S229 H230 L232	I167-A171 HydrophobicContact CG2-CB 3.79Å; I167-V172 HydrophobicContact CG2-CG2 4.04Å; I167-A177 HydrophobicContact CG2-CB 4.4Å; I167-I180 HydrophobicContact CD1-CB 4.05Å; I167-I180 HydrophobicContact CD1-CG2 3.73Å; I167-I180 HydrophobicContact CG1-CG2 4.08Å; I167-I180 HydrophobicContact CG2-CD1 3.97Å; I167-I181 HydrophobicContact CD1-CD1 4.25Å; I167-I181 HydrophobicContact CD1-CG1 3.73Å; I167-S229 VanDerWaalsContact O-CA 3.32Å; I167-S229 WeakPolarHBondContact O-CA 3.38Å; I167-S229 WeakPolarHBondContact O-CB 3.36Å; I167-H230 HydrophobicContact CB-CB 4.11Å; I167-H230 HydrophobicContact CD1-CB 4.2Å; I167-H230 HydrophobicContact CG1-CB 4.39Å; I167-H230 PolarHBondContact N-O 3.32Å; I167-H230 PolarHBondContact O-N 3.42Å; I167-L232 HydrophobicContact CD1-CD1 3.99Å; I167-L232 HydrophobicContact CG1-CD1 4.37Å
168	K	86.6	Confident	76.6	Confident	8 Å²	8	37.9 Å²	37.9	4%	0.035	24%	0.237	C	C	.	.			trans	-76.7	162.3	-170	-63.9	-163	-163.5	159	0	113	D170 A171 V172 F223 M224 N278 A279	K168-D170 WeakPolarHBondContact CB-OD1 3.34Å; K168-D170 PolarHBondContact O-N 3.46Å; K168-D170 VanDerWaalsContact O-N 3.1Å; K168-A171 PolarHBondContact O-N 3.3Å; K168-A171 VanDerWaalsContact O-N 3.13Å; K168-V172 WeakPolarHBondContact O-CG2 3.44Å; K168-V172 PolarHBondContact O-N 3.13Å; K168-F223 HydrophobicContact CB-CE1 3.99Å; K168-F223 HydrophobicContact CB-CZ 4.45Å; K168-F223 HydrophobicContact CD-CD1 4.5Å; K168-F223 HydrophobicContact CD-CE1 3.73Å; K168-M224 HydrophobicContact CB-SD 4.35Å; K168-M224 HydrophobicContact CD-SD 3.66Å; K168-M224 HydrophobicContact CG-SD 3.86Å; K168-N278 WeakPolarHBondContact CD-O 3.2Å; K168-N278 WeakPolarHBondContact CE-O 3.18Å; K168-N278 WeakPolarHBondContact CE-OD1 3.44Å; K168-N278 PolarHBondContact NZ-O 3.15Å; K168-N278 PolarHBondContact NZ-OD1 2.61Å; K168-A279 PolarHBondContact N-O 3.43Å
169	P	84.2	Confident	78.2	Confident	5 Å²	5	39 Å²	39	3%	0.032	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-28.9	-171.6	-27.2	36.8	0	0	0	115	V172 A173 G227 P228 S229	P169-V172 PolarHBondContact O-N 2.87Å; P169-A173 WeakPolarHBondContact O-CB 3.4Å; P169-A173 PolarHBondContact O-N 3.24Å; P169-G227 WeakPolarHBondContact CG-O 3.3Å; P169-P228 WeakPolarHBondContact CA-O 3.28Å; P169-S229 VanDerWaalsContact CD-OG 3.3Å; P169-S229 WeakPolarHBondContact CD-OG 3.43Å; P169-S229 WeakPolarHBondContact CG-OG 3.39Å
170	D	81.8	Confident	79.9	Confident	17 Å²	17	34.3 Å²	34.3	9%	0.091	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-49.7	176.9	69.9	-42.8	0	0	0	111.7	K168 V172 A173 H174 F223 T273	K168-D170 WeakPolarHBondContact CB-OD1 3.34Å; K168-D170 PolarHBondContact O-N 3.46Å; K168-D170 VanDerWaalsContact O-N 3.1Å; D170-V172 VanDerWaalsContact C-N 3.25Å; D170-V172 PolarHBondContact O-N 3.33Å; D170-A173 PolarHBondContact O-N 3.02Å; D170-H174 PolarHBondContact O-N 3.36Å; D170-H174 PolarHBondContact O-ND1 3.45Å; D170-F223 HydrophobicContact CB-CE2 3.98Å; D170-F223 HydrophobicContact CB-CZ 3.74Å; D170-T273 PolarHBondContact OD2-OG1 2.87Å
171	A	78.7	Confident	80.9	Confident	1 Å²	1	33 Å²	33	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-33.8	179.2	0	0	0	0	0	111.4	I167 K168 K176 I180 A279	I167-A171 HydrophobicContact CG2-CB 3.79Å; K168-A171 PolarHBondContact O-N 3.3Å; K168-A171 VanDerWaalsContact O-N 3.13Å; A171-K176 WeakPolarHBondContact O-CA 3.41Å; A171-K176 WeakPolarHBondContact O-CB 3.5Å; A171-K176 PolarHBondContact O-N 2.78Å; A171-I180 HydrophobicContact CB-CD1 3.94Å; A171-A279 HydrophobicContact CB-CB 4.21Å
172	V	82.2	Confident	81.3	Confident	21 Å²	21	36.5 Å²	36.5	13%	0.127	21%	0.208	C	C	.	.	H	α-helix	trans	-68.3	-48.8	174.5	-176.1	0	0	0	0	110.9	I167 K168 P169 D170 H174 G175 A177 P228	I167-V172 HydrophobicContact CG2-CG2 4.04Å; K168-V172 WeakPolarHBondContact O-CG2 3.44Å; K168-V172 PolarHBondContact O-N 3.13Å; P169-V172 PolarHBondContact O-N 2.87Å; D170-V172 VanDerWaalsContact C-N 3.25Å; D170-V172 PolarHBondContact O-N 3.33Å; V172-H174 PolarHBondContact O-N 2.87Å; V172-G175 WeakPolarHBondContact O-CA 3.46Å; V172-G175 PolarHBondContact O-N 3.27Å; V172-A177 HydrophobicContact CG2-CB 4.11Å; V172-P228 WeakPolarHBondContact CB-O 3.36Å; V172-P228 HydrophobicContact CG1-CG 4.04Å; V172-P228 WeakPolarHBondContact CG2-O 3.4Å
173	A	77.7	Confident	81.3	Confident	88 Å²	88	37.9 Å²	37.9	73%	0.727	22%	0.215	S	C	*	.	H	α-helix	trans	-61.1	-32.1	179	0	0	0	0	0	113	P169 D170 G175	P169-A173 WeakPolarHBondContact O-CB 3.4Å; P169-A173 PolarHBondContact O-N 3.24Å; D170-A173 PolarHBondContact O-N 3.02Å; A173-G175 PolarHBondContact O-N 3.37Å
174	H	76.6	Confident	81.3	Confident	117 Å²	117	37.9 Å²	37.9	54%	0.542	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	6.6	173.9	-68.5	89.3	0	0	0	113.6	D170 V172 K176	D170-H174 PolarHBondContact O-N 3.36Å; D170-H174 PolarHBondContact O-ND1 3.45Å; V172-H174 PolarHBondContact O-N 2.87Å; H174-K176 HydrophobicContact CB-CG 4.16Å; H174-K176 PolarHBondContact O-N 2.97Å
175	G	75.9	Confident	81.1	Confident	61 Å²	61	42.7 Å²	42.7	63%	0.629	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	21	178.4	0	0	0	0	0	113.9	V172 A173	V172-G175 WeakPolarHBondContact O-CA 3.46Å; V172-G175 PolarHBondContact O-N 3.27Å; A173-G175 PolarHBondContact O-N 3.37Å
176	K	79.9	Confident	80.8	Confident	80 Å²	80	49.3 Å²	49.3	35%	0.348	27%	0.272	S	S	.	.			trans	-92.3	-9.3	-176.1	-62.2	-53.9	-161.6	171.2	0	114	A171 H174 N178 E179 I180 Y271	A171-K176 WeakPolarHBondContact O-CA 3.41Å; A171-K176 WeakPolarHBondContact O-CB 3.5Å; A171-K176 PolarHBondContact O-N 2.78Å; H174-K176 HydrophobicContact CB-CG 4.16Å; H174-K176 PolarHBondContact O-N 2.97Å; K176-N178 PolarHBondContact O-N 2.72Å; K176-E179 WeakPolarHBondContact CD-OE2 3.37Å; K176-E179 IonicContact NZ-OE2 2.89Å; K176-E179 PolarHBondContact NZ-OE2 2.82Å; K176-E179 WeakPolarHBondContact O-CB 3.45Å; K176-E179 PolarHBondContact O-N 3Å; K176-E179 VanDerWaalsContact O-N 3.15Å; K176-I180 HydrophobicContact CB-CD1 4.28Å; K176-I180 WeakPolarHBondContact O-CG1 3.28Å; K176-I180 PolarHBondContact O-N 2.76Å; K176-Y271 HydrophobicContact CB-CD1 4Å; K176-Y271 HydrophobicContact CB-CE1 4.42Å; K176-Y271 HydrophobicContact CD-CD1 4.34Å; K176-Y271 HydrophobicContact CD-CE1 4.29Å; K176-Y271 HydrophobicContact CG-CD1 4.12Å
177	A	78.7	Confident	80.3	Confident	5 Å²	5	51.5 Å²	51.5	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-53.6	-50.1	-177.7	0	0	0	0	0	113.5	I167 V172 E179 I180 I181	I167-A177 HydrophobicContact CG2-CB 4.4Å; V172-A177 HydrophobicContact CG2-CB 4.11Å; A177-E179 VanDerWaalsContact C-N 3.34Å; A177-E179 PolarHBondContact O-N 3.3Å; A177-I180 PolarHBondContact O-N 3.27Å; A177-I181 VanDerWaalsContact O-CG1 3.32Å; A177-I181 WeakPolarHBondContact O-CG1 3.05Å; A177-I181 PolarHBondContact O-N 3.48Å
178	N	77.2	Confident	79.7	Confident	113 Å²	113	52.9 Å²	52.9	60%	0.604	31%	0.306	S	S	*	.	H	α-helix	trans	-65.8	-35.8	-179.9	-69.2	-34.1	0	0	0	112.8	K176 I180 I181 M182	K176-N178 PolarHBondContact O-N 2.72Å; N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I181 PolarHBondContact O-N 3.3Å; N178-M182 WeakPolarHBondContact O-CG 3.46Å; N178-M182 PolarHBondContact O-N 3.32Å
179	E	78.8	Confident	79.5	Confident	77 Å²	77	53.1 Å²	53.1	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-41	176.6	-163.7	-172.5	147.3	0	0	110.8	K176 A177 K183 Y271	K176-E179 WeakPolarHBondContact CD-OE2 3.37Å; K176-E179 IonicContact NZ-OE2 2.89Å; K176-E179 PolarHBondContact NZ-OE2 2.82Å; K176-E179 WeakPolarHBondContact O-CB 3.45Å; K176-E179 PolarHBondContact O-N 3Å; K176-E179 VanDerWaalsContact O-N 3.15Å; A177-E179 VanDerWaalsContact C-N 3.34Å; A177-E179 PolarHBondContact O-N 3.3Å; E179-K183 PolarHBondContact O-N 2.95Å; E179-K183 VanDerWaalsContact O-N 3.11Å; E179-Y271 HydrophobicContact CG-CE1 4.3Å; E179-Y271 WeakPolarHBondContact CG-OH 3.47Å; E179-Y271 WeakPolarHBondContact OE1-CE1 3.44Å; E179-Y271 PolarHBondContact OE1-OH 3.37Å
180	I	82.1	Confident	79.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.8	-47.1	175.3	-66.1	165.6	0	0	0	110.4	I167 A171 K176 A177 N178 M182 K183 I184 L267 Y271 V280	I167-I180 HydrophobicContact CD1-CB 4.05Å; I167-I180 HydrophobicContact CD1-CG2 3.73Å; I167-I180 HydrophobicContact CG1-CG2 4.08Å; I167-I180 HydrophobicContact CG2-CD1 3.97Å; A171-I180 HydrophobicContact CB-CD1 3.94Å; K176-I180 HydrophobicContact CB-CD1 4.28Å; K176-I180 WeakPolarHBondContact O-CG1 3.28Å; K176-I180 PolarHBondContact O-N 2.76Å; A177-I180 PolarHBondContact O-N 3.27Å; N178-I180 VanDerWaalsContact C-N 3.34Å; I180-M182 VanDerWaalsContact C-N 3.32Å; I180-M182 PolarHBondContact O-N 3.28Å; I180-K183 PolarHBondContact O-N 3.26Å; I180-K183 VanDerWaalsContact O-N 3.14Å; I180-I184 HydrophobicContact CG2-CD1 3.92Å; I180-I184 HydrophobicContact CG2-CG1 4.43Å; I180-I184 VanDerWaalsContact O-CG1 3.25Å; I180-I184 WeakPolarHBondContact O-CG1 3.25Å; I180-I184 PolarHBondContact O-N 3.03Å; I180-L267 HydrophobicContact CG2-CD1 4.04Å; I180-Y271 HydrophobicContact CD1-CD1 4.26Å; I180-Y271 HydrophobicContact CD1-CD2 4.28Å; I180-Y271 HydrophobicContact CD1-CG 3.93Å; I180-Y271 HydrophobicContact CG1-CD1 4.09Å; I180-Y271 HydrophobicContact CG1-CD2 3.81Å; I180-Y271 HydrophobicContact CG1-CE1 4.28Å; I180-Y271 HydrophobicContact CG1-CE2 4.02Å; I180-Y271 HydrophobicContact CG1-CG 3.86Å; I180-V280 HydrophobicContact CD1-CG2 4.45Å; I180-V280 HydrophobicContact CG2-CG2 4.22Å
181	I	80.6	Confident	79.4	Confident	18 Å²	18	57.4 Å²	57.4	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-57.4	-44.2	177.3	-70.9	167.3	0	0	0	111.4	I167 A177 N178 K183 I184 Q185 I191 L232	I167-I181 HydrophobicContact CD1-CD1 4.25Å; I167-I181 HydrophobicContact CD1-CG1 3.73Å; A177-I181 VanDerWaalsContact O-CG1 3.32Å; A177-I181 WeakPolarHBondContact O-CG1 3.05Å; A177-I181 PolarHBondContact O-N 3.48Å; N178-I181 PolarHBondContact O-N 3.3Å; I181-K183 PolarHBondContact O-N 3.36Å; I181-I184 WeakPolarHBondContact O-CB 3.2Å; I181-I184 PolarHBondContact O-N 2.75Å; I181-Q185 PolarHBondContact O-N 3.02Å; I181-Q185 VanDerWaalsContact O-N 3.09Å; I181-I191 HydrophobicContact CG2-CD1 3.7Å; I181-L232 HydrophobicContact CD1-CD2 4.42Å; I181-L232 HydrophobicContact CG1-CD1 3.94Å; I181-L232 HydrophobicContact CG1-CD2 4.46Å
182	M	77	Confident	79.2	Confident	115 Å²	115	59 Å²	59	57%	0.567	34%	0.335	S	S	*	.	H	α-helix	trans	-61.8	-44.1	176.2	-73.6	-179.7	69	0	0	111.8	N178 I180 I184 Q185 D186	N178-M182 WeakPolarHBondContact O-CG 3.46Å; N178-M182 PolarHBondContact O-N 3.32Å; I180-M182 VanDerWaalsContact C-N 3.32Å; I180-M182 PolarHBondContact O-N 3.28Å; M182-I184 VanDerWaalsContact C-N 3.29Å; M182-I184 PolarHBondContact O-N 2.87Å; M182-Q185 PolarHBondContact O-N 3.3Å; M182-D186 WeakPolarHBondContact O-CB 3.32Å; M182-D186 PolarHBondContact O-N 3.13Å
183	K	80.9	Confident	78.9	Confident	67 Å²	67	58.8 Å²	58.8	29%	0.291	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-35.3	176.3	-78.7	-174.5	170.4	179.2	0	113.1	E179 I180 I181 A187 F250 L267 Y271	E179-K183 PolarHBondContact O-N 2.95Å; E179-K183 VanDerWaalsContact O-N 3.11Å; I180-K183 PolarHBondContact O-N 3.26Å; I180-K183 VanDerWaalsContact O-N 3.14Å; I181-K183 PolarHBondContact O-N 3.36Å; K183-A187 VanDerWaalsContact O-CB 3.25Å; K183-A187 WeakPolarHBondContact O-CB 3.08Å; K183-A187 PolarHBondContact O-N 2.72Å; K183-F250 WeakPolarHBondContact O-CZ 3.36Å; K183-L267 HydrophobicContact CB-CD2 4.15Å; K183-L267 HydrophobicContact CD-CD2 3.94Å; K183-Y271 HydrophobicContact CD-CE2 3.95Å; K183-Y271 WeakPolarHBondContact CD-OH 3.45Å; K183-Y271 WeakPolarHBondContact CE-OH 3.11Å; K183-Y271 PolarHBondContact NZ-OH 2.99Å
184	I	82.6	Confident	79.1	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.1	-47.2	175.1	-66.6	168.9	0	0	0	110	I180 I181 M182 A187 F189 I191 L232 L234 W247 F250 L267	I180-I184 HydrophobicContact CG2-CD1 3.92Å; I180-I184 HydrophobicContact CG2-CG1 4.43Å; I180-I184 VanDerWaalsContact O-CG1 3.25Å; I180-I184 WeakPolarHBondContact O-CG1 3.25Å; I180-I184 PolarHBondContact O-N 3.03Å; I181-I184 WeakPolarHBondContact O-CB 3.2Å; I181-I184 PolarHBondContact O-N 2.75Å; M182-I184 VanDerWaalsContact C-N 3.29Å; M182-I184 PolarHBondContact O-N 2.87Å; I184-A187 PolarHBondContact O-N 3.38Å; I184-F189 HydrophobicContact CG2-CB 3.64Å; I184-F189 HydrophobicContact CG2-CD2 4.28Å; I184-F189 HydrophobicContact CG2-CG 4.25Å; I184-F189 WeakPolarHBondContact O-CB 3.25Å; I184-F189 WeakPolarHBondContact O-CD2 3.47Å; I184-F189 PolarHBondContact O-N 2.82Å; I184-I191 HydrophobicContact CG2-CD1 4.49Å; I184-I191 HydrophobicContact CG2-CG1 4.43Å; I184-L232 HydrophobicContact CD1-CD1 3.81Å; I184-L234 HydrophobicContact CG2-CD1 4Å; I184-L234 HydrophobicContact CG2-CD2 3.74Å; I184-W247 HydrophobicContact CD1-CH2 3.57Å; I184-W247 HydrophobicContact CD1-CZ3 4.15Å; I184-W247 HydrophobicContact CG1-CH2 3.68Å; I184-W247 HydrophobicContact CG1-CZ3 3.78Å; I184-W247 HydrophobicContact CG2-CZ3 4.22Å; I184-F250 HydrophobicContact CG1-CE1 4.31Å; I184-L267 HydrophobicContact CG1-CD1 4.15Å
185	Q	79.8	Confident	79.2	Confident	101 Å²	101	56.8 Å²	56.8	47%	0.472	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-43.5	178.5	-68.4	179.6	-33.9	0	0	112.4	I181 M182 A187 G188 I191	I181-Q185 PolarHBondContact O-N 3.02Å; I181-Q185 VanDerWaalsContact O-N 3.09Å; M182-Q185 PolarHBondContact O-N 3.3Å; Q185-A187 PolarHBondContact O-N 3.19Å; Q185-G188 PolarHBondContact O-N 2.93Å; Q185-I191 HydrophobicContact CG-CD1 3.77Å; Q185-I191 HydrophobicContact CG-CG1 4.17Å
186	D	78.8	Confident	79.6	Confident	139 Å²	139	59.7 Å²	59.7	74%	0.743	31%	0.308	S	S	*	.	H	α-helix	trans	-64	-29.6	177.7	-76.9	-13	0	0	0	112.6	M182 G188	M182-D186 WeakPolarHBondContact O-CB 3.32Å; M182-D186 PolarHBondContact O-N 3.13Å; D186-G188 PolarHBondContact O-N 2.78Å
187	A	78.7	Confident	79.8	Confident	48 Å²	48	59.1 Å²	59.1	40%	0.397	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.5	173.9	0	0	0	0	0	113.6	K183 I184 Q185 F189 F250	K183-A187 VanDerWaalsContact O-CB 3.25Å; K183-A187 WeakPolarHBondContact O-CB 3.08Å; K183-A187 PolarHBondContact O-N 2.72Å; I184-A187 PolarHBondContact O-N 3.38Å; Q185-A187 PolarHBondContact O-N 3.19Å; A187-F189 HydrophobicContact CB-CD2 3.92Å; A187-F189 HydrophobicContact CB-CE2 4Å; A187-F250 HydrophobicContact CB-CD2 4.04Å; A187-F250 HydrophobicContact CB-CE1 4.11Å; A187-F250 HydrophobicContact CB-CE2 3.39Å; A187-F250 HydrophobicContact CB-CZ 3.42Å; A187-F250 VanDerWaalsContact CB-CZ 3.42Å
188	G	75.8	Confident	80.1	Confident	30 Å²	30	62.5 Å²	62.5	31%	0.309	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	14.9	175.5	0	0	0	0	0	114.9	Q185 D186	Q185-G188 PolarHBondContact O-N 2.93Å; D186-G188 PolarHBondContact O-N 2.78Å
189	F	82.5	Confident	80.4	Confident	13 Å²	13	57.3 Å²	57.3	6%	0.057	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129.1	170	-61.9	-84.9	0	0	0	110.2	I184 A187 I243 A246 W247 F250	I184-F189 HydrophobicContact CG2-CB 3.64Å; I184-F189 HydrophobicContact CG2-CD2 4.28Å; I184-F189 HydrophobicContact CG2-CG 4.25Å; I184-F189 WeakPolarHBondContact O-CB 3.25Å; I184-F189 WeakPolarHBondContact O-CD2 3.47Å; I184-F189 PolarHBondContact O-N 2.82Å; A187-F189 HydrophobicContact CB-CD2 3.92Å; A187-F189 HydrophobicContact CB-CE2 4Å; F189-I243 HydrophobicContact CD1-CD1 3.96Å; F189-I243 HydrophobicContact CD1-CG1 4.19Å; F189-I243 HydrophobicContact CE1-CD1 4.33Å; F189-I243 HydrophobicContact CE1-CG1 4.04Å; F189-A246 HydrophobicContact CE1-CB 4.41Å; F189-A246 HydrophobicContact CZ-CB 4.44Å; F189-W247 HydrophobicContact CD1-CE3 4.4Å; F189-W247 HydrophobicContact CD2-CE3 4.33Å; F189-W247 HydrophobicContact CD2-CZ3 4.41Å; F189-W247 HydrophobicContact CE1-CB 4.22Å; F189-W247 HydrophobicContact CE1-CE3 4.1Å; F189-W247 HydrophobicContact CE2-CE3 4.03Å; F189-W247 HydrophobicContact CE2-CZ3 4.36Å; F189-W247 HydrophobicContact CZ-CB 4.5Å; F189-W247 AromaticContact CZ-CE3 3.91Å; F189-W247 HydrophobicContact CZ-CE3 3.91Å; F189-F250 HydrophobicContact CE2-CB 4.1Å; F189-F250 AromaticContact CE2-CD1 3.84Å; F189-F250 HydrophobicContact CE2-CD1 3.84Å; F189-F250 HydrophobicContact CE2-CD2 4.45Å; F189-F250 HydrophobicContact CE2-CE1 4.35Å; F189-F250 AromaticContact CE2-CG 3.88Å; F189-F250 HydrophobicContact CE2-CG 3.88Å; F189-F250 HydrophobicContact CZ-CB 4.19Å; F189-F250 HydrophobicContact CZ-CG 4.46Å
190	E	79.9	Confident	80.8	Confident	71 Å²	71	56.9 Å²	56.9	33%	0.332	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.6	172.1	-175.4	177.1	-157.7	0	0	109.1	K160 L192 L234 S235	K160-E190 IonicContact NZ-OE1 2.78Å; K160-E190 IonicContact NZ-OE2 3.87Å; K160-E190 PolarHBondContact NZ-OE2 3.45Å; E190-L192 HydrophobicContact CG-CD2 3.93Å; E190-L234 CarbonylContact O-C 3.24Å; E190-L234 WeakPolarHBondContact O-CA 3.35Å; E190-S235 PolarHBondContact N-O 3.36Å; E190-S235 PolarHBondContact O-N 3.5Å
191	I	82.6	Confident	80.8	Confident	40 Å²	40	63.1 Å²	63.1	21%	0.205	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.6	175.1	-56.2	179.9	0	0	0	107.6	I181 I184 Q185 A193 H194 L232 L234	I181-I191 HydrophobicContact CG2-CD1 3.7Å; I184-I191 HydrophobicContact CG2-CD1 4.49Å; I184-I191 HydrophobicContact CG2-CG1 4.43Å; Q185-I191 HydrophobicContact CG-CD1 3.77Å; Q185-I191 HydrophobicContact CG-CG1 4.17Å; I191-A193 WeakPolarHBondContact CG2-O 3.45Å; I191-H194 HydrophobicContact CG2-CB 4.23Å; I191-L232 HydrophobicContact CG2-CD2 4.14Å; I191-L234 HydrophobicContact CB-CD2 4.47Å; I191-L234 HydrophobicContact CG1-CD2 3.75Å
192	L	75.9	Confident	80.9	Confident	35 Å²	35	66.9 Å²	66.9	18%	0.183	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-33.1	-177	-62.3	179.9	0	0	0	112.8	V156 E190 V233 S235 F300	V156-L192 HydrophobicContact CB-CD1 4.46Å; V156-L192 HydrophobicContact CG1-CD1 3.87Å; V156-L192 HydrophobicContact CG2-CD1 3.69Å; E190-L192 HydrophobicContact CG-CD2 3.93Å; L192-V233 HydrophobicContact CB-CB 4.4Å; L192-V233 HydrophobicContact CB-CG1 4.34Å; L192-V233 HydrophobicContact CD1-CG1 4.47Å; L192-V233 PolarHBondContact N-O 3.31Å; L192-S235 VanDerWaalsContact CD1-CB 3.44Å; L192-F300 HydrophobicContact CB-CE2 4.33Å; L192-F300 HydrophobicContact CB-CZ 4.36Å; L192-F300 HydrophobicContact CD1-CZ 4.04Å
193	A	74.5	Confident	81.1	Confident	17 Å²	17	63.6 Å²	63.6	14%	0.14	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	149.1	175.3	0	0	0	0	0	109.8	I191 L232 V233 F297 F300	I191-A193 WeakPolarHBondContact CG2-O 3.45Å; A193-L232 WeakPolarHBondContact O-CA 3.49Å; A193-V233 HydrophobicContact CB-CB 4.05Å; A193-V233 HydrophobicContact CB-CG2 3.89Å; A193-V233 PolarHBondContact O-N 2.94Å; A193-F297 HydrophobicContact CB-CD1 4.42Å; A193-F297 HydrophobicContact CB-CE1 4.02Å; A193-F297 HydrophobicContact CB-CZ 4.23Å; A193-F300 HydrophobicContact CB-CE2 4.35Å
194	H	82.4	Confident	81.2	Confident	99 Å²	99	60.4 Å²	60.4	46%	0.458	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	123.9	178.1	168.8	-147.2	0	0	0	109	I191 H230 I231 L232	I191-H194 HydrophobicContact CG2-CB 4.23Å; H194-H230 AromaticContact CD2-ND1 3.9Å; H194-H230 AromaticContact CE1-ND1 3.49Å; H194-H230 PolarHBondContact CE1-ND1 3.4Å; H194-H230 AromaticContact NE2-CE1 3.73Å; H194-H230 AromaticContact NE2-CG 3.75Å; H194-H230 AromaticContact NE2-ND1 2.87Å; H194-H230 PolarHBondContact NE2-ND1 2.9Å; H194-I231 WeakPolarHBondContact CA-O 3.42Å; H194-L232 HydrophobicContact CB-CD2 3.62Å; H194-L232 WeakPolarHBondContact CD2-CD2 3.46Å; H194-L232 VanDerWaalsContact CG-CD2 3.46Å
195	E	79.6	Confident	81.3	Confident	64 Å²	64	66.4 Å²	66.4	30%	0.299	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.1	173.5	-170.5	179.9	150.1	0	0	110.2	R197 H230 I231 F297	E195-R197 WeakPolarHBondContact OE1-CD 3.5Å; E195-H230 CarbonylContact O-C 3.54Å; E195-H230 WeakPolarHBondContact O-CA 3.31Å; E195-I231 PolarHBondContact N-O 2.83Å; E195-I231 PolarHBondContact O-N 2.88Å; E195-F297 HydrophobicContact CB-CE1 4.02Å; E195-F297 HydrophobicContact CB-CZ 4.02Å
196	E	84.3	Confident	81.3	Confident	121 Å²	121	66.3 Å²	66.3	57%	0.565	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.3	167	-174.3	-176.5	128.7	0	0	108.2	P228 S229 H230	E196-P228 HydrophobicContact CG-CB 4.01Å; E196-S229 CarbonylContact C-O 3.57Å; E196-S229 WeakPolarHBondContact CA-O 3.5Å; E196-H230 IonicContact OE2-CE1 3.17Å; E196-H230 PolarHBondContact OE2-CE1 3.23Å; E196-H230 IonicContact OE2-NE2 3.41Å; E196-H230 PolarHBondContact OE2-NE2 3.38Å
197	R	82.3	Confident	81.4	Confident	68 Å²	68	60.5 Å²	60.5	26%	0.257	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	137	-173.9	-171.7	172.7	176.8	166.9	-4.6	111.3	E195 L199 E203 S229 I231	E195-R197 WeakPolarHBondContact OE1-CD 3.5Å; R197-L199 HydrophobicContact CG-CD2 4.27Å; R197-E203 IonicContact CZ-OE1 2.83Å; R197-E203 IonicContact NE-OE1 2.72Å; R197-E203 IonicContact NH2-OE1 3.77Å; R197-E203 PolarHBondContact NH2-OE1 3.45Å; R197-S229 PolarHBondContact N-O 3.15Å; R197-S229 PolarHBondContact O-N 2.95Å; R197-I231 HydrophobicContact CB-CD1 3.86Å
198	T	86.3	Confident	81.5	Confident	77 Å²	77	58.3 Å²	58.3	47%	0.472	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-96.4	121.6	168.4	-57	0	0	0	0	108	P228	T198-P228 WeakPolarHBondContact OG1-CA 3.3Å
199	L	82.6	Confident	81.7	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.021	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-82.8	134.2	-178.6	-57.1	178.1	0	0	0	110.7	R197 E203 A204 M224 S225 F296	R197-L199 HydrophobicContact CG-CD2 4.27Å; L199-E203 HydrophobicContact CB-CB 4.49Å; L199-A204 HydrophobicContact CB-CB 4.29Å; L199-M224 HydrophobicContact CD1-CE 4.03Å; L199-S225 WeakPolarHBondContact O-CA 3.37Å; L199-S225 WeakPolarHBondContact O-CB 3.4Å; L199-S225 PolarHBondContact O-OG 2.92Å; L199-F296 HydrophobicContact CD1-CE1 4.36Å; L199-F296 HydrophobicContact CD1-CZ 4.43Å; L199-F296 HydrophobicContact CD2-CE1 3.72Å
200	T	87	Confident	81.4	Confident	68 Å²	68	67.9 Å²	67.9	42%	0.417	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-67.1	158.7	166.1	60.3	0	0	0	0	110.7	T202 E203 A204 S225	T200-T202 PolarHBondContact O-N 3.23Å; T200-T202 PolarHBondContact OG1-OG1 2.85Å; T200-E203 WeakPolarHBondContact CB-OE2 3.19Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.41Å; T200-E203 PolarHBondContact N-OE2 2.96Å; T200-E203 PolarHBondContact O-N 3.05Å; T200-E203 WeakPolarHBondContact OG1-CB 3.49Å; T200-E203 WeakPolarHBondContact OG1-CG 3.25Å; T200-E203 PolarHBondContact OG1-N 2.83Å; T200-E203 PolarHBondContact OG1-OE2 2.78Å; T200-A204 WeakPolarHBondContact O-CB 3.25Å; T200-A204 PolarHBondContact O-N 3.03Å; T200-S225 PolarHBondContact O-OG 3.45Å
201	E	83.5	Confident	81.2	Confident	130 Å²	130	67.3 Å²	67.3	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-58.3	-37.2	177.6	-71.1	-177.8	176.6	0	0	111.4	R205 V221 S225	E201-R205 VanDerWaalsContact O-CB 3.22Å; E201-R205 WeakPolarHBondContact O-CB 3.47Å; E201-R205 PolarHBondContact O-N 3.35Å; E201-V221 HydrophobicContact CB-CG1 4.21Å; E201-V221 WeakPolarHBondContact O-CG1 3.44Å; E201-S225 WeakPolarHBondContact CA-OG 3.39Å; E201-S225 PolarHBondContact N-OG 2.8Å
202	T	81.3	Confident	81	Confident	97 Å²	97	68.1 Å²	68.1	60%	0.595	34%	0.342	S	S	*	.	H	α-helix	trans	-63.7	-49	175.6	45.3	0	0	0	0	111.7	T200 A204 R205 D206	T200-T202 PolarHBondContact O-N 3.23Å; T200-T202 PolarHBondContact OG1-OG1 2.85Å; T202-A204 PolarHBondContact O-N 2.87Å; T202-R205 PolarHBondContact O-N 2.87Å; T202-D206 PolarHBondContact O-N 3.1Å
203	E	82.8	Confident	81.1	Confident	47 Å²	47	71.6 Å²	71.6	22%	0.22	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-42.4	178.3	-73.1	166.1	140.5	0	0	112	R197 L199 T200 R205 D206 F207 F295	R197-E203 IonicContact CZ-OE1 2.83Å; R197-E203 IonicContact NE-OE1 2.72Å; R197-E203 IonicContact NH2-OE1 3.77Å; R197-E203 PolarHBondContact NH2-OE1 3.45Å; L199-E203 HydrophobicContact CB-CB 4.49Å; T200-E203 WeakPolarHBondContact CB-OE2 3.19Å; T200-E203 WeakPolarHBondContact CG2-OE2 3.41Å; T200-E203 PolarHBondContact N-OE2 2.96Å; T200-E203 PolarHBondContact O-N 3.05Å; T200-E203 WeakPolarHBondContact OG1-CB 3.49Å; T200-E203 WeakPolarHBondContact OG1-CG 3.25Å; T200-E203 PolarHBondContact OG1-N 2.83Å; T200-E203 PolarHBondContact OG1-OE2 2.78Å; E203-R205 VanDerWaalsContact C-N 3.31Å; E203-R205 PolarHBondContact O-N 3.49Å; E203-D206 PolarHBondContact O-N 3.31Å; E203-F207 VanDerWaalsContact O-CB 3.24Å; E203-F207 WeakPolarHBondContact O-CB 3.33Å; E203-F207 PolarHBondContact O-N 2.83Å; E203-F295 HydrophobicContact CB-CZ 4.07Å; E203-F295 WeakPolarHBondContact O-CZ 3.22Å
204	A	83.2	Confident	81.3	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-64.6	-37.3	177	0	0	0	0	0	111.5	L199 T200 T202 Y208 V221 M224	L199-A204 HydrophobicContact CB-CB 4.29Å; T200-A204 WeakPolarHBondContact O-CB 3.25Å; T200-A204 PolarHBondContact O-N 3.03Å; T202-A204 PolarHBondContact O-N 2.87Å; A204-Y208 WeakPolarHBondContact O-CB 3.25Å; A204-Y208 VanDerWaalsContact O-CD2 3.31Å; A204-Y208 WeakPolarHBondContact O-CD2 3.42Å; A204-Y208 PolarHBondContact O-N 3.4Å; A204-V221 HydrophobicContact CB-CG1 4.1Å; A204-M224 HydrophobicContact CB-CB 4.15Å
205	R	84.4	Confident	81.1	Confident	125 Å²	125	75.7 Å²	75.7	47%	0.472	41%	0.412	S	S	.	.	H	α-helix	trans	-68.2	-41.8	178.2	-156.4	176.4	-148.4	-139.4	3.6	112.2	E201 T202 E203 Q209 F217 E218 V221	E201-R205 VanDerWaalsContact O-CB 3.22Å; E201-R205 WeakPolarHBondContact O-CB 3.47Å; E201-R205 PolarHBondContact O-N 3.35Å; T202-R205 PolarHBondContact O-N 2.87Å; E203-R205 VanDerWaalsContact C-N 3.31Å; E203-R205 PolarHBondContact O-N 3.49Å; R205-Q209 WeakPolarHBondContact O-CA 3.31Å; R205-Q209 PolarHBondContact O-N 2.88Å; R205-F217 HydrophobicContact CB-CZ 4.46Å; R205-F217 HydrophobicContact CG-CE1 3.75Å; R205-F217 HydrophobicContact CG-CZ 3.57Å; R205-E218 IonicContact CZ-OE1 2.72Å; R205-E218 IonicContact NE-OE1 3.44Å; R205-E218 IonicContact NH2-OE1 3.3Å; R205-E218 PolarHBondContact NH2-OE1 3.37Å; R205-V221 HydrophobicContact CB-CG1 4.4Å; R205-V221 HydrophobicContact CB-CG2 4.21Å; R205-V221 HydrophobicContact CG-CG2 4.29Å
206	D	79.7	Confident	81	Confident	100 Å²	100	74.3 Å²	74.3	54%	0.535	41%	0.409	S	S	.	.	H	α-helix	trans	-67.1	-44.6	176.4	-68.3	-18.8	0	0	0	110.8	T202 E203 Y208 Q209 F295	T202-D206 PolarHBondContact O-N 3.1Å; E203-D206 PolarHBondContact O-N 3.31Å; D206-Y208 PolarHBondContact O-N 3.15Å; D206-Q209 WeakPolarHBondContact O-CB 3.36Å; D206-Q209 PolarHBondContact O-N 2.87Å; D206-F295 HydrophobicContact CB-CE2 4.39Å
207	F	81.1	Confident	80.8	Confident	16 Å²	16	69.2 Å²	69.2	7%	0.07	39%	0.385	C	S	.	.	H	α-helix	trans	-61.4	-43.7	178.1	-175	-98	0	0	0	112.8	I166 E203 E292 F295 F296	I166-F207 HydrophobicContact CD1-CE1 3.79Å; I166-F207 HydrophobicContact CD1-CZ 3.66Å; E203-F207 VanDerWaalsContact O-CB 3.24Å; E203-F207 WeakPolarHBondContact O-CB 3.33Å; E203-F207 PolarHBondContact O-N 2.83Å; F207-E292 HydrophobicContact CE2-CB 3.84Å; F207-E292 HydrophobicContact CE2-CG 3.55Å; F207-E292 HydrophobicContact CZ-CB 4.1Å; F207-E292 HydrophobicContact CZ-CG 3.54Å; F207-F295 HydrophobicContact CB-CD1 4.48Å; F207-F295 HydrophobicContact CB-CE1 4.01Å; F207-F295 HydrophobicContact CB-CE2 4.4Å; F207-F295 HydrophobicContact CB-CZ 3.96Å; F207-F295 HydrophobicContact CD2-CB 4.37Å; F207-F295 AromaticContact CD2-CD1 3.51Å; F207-F295 HydrophobicContact CD2-CD1 3.51Å; F207-F295 HydrophobicContact CD2-CD2 4.49Å; F207-F295 AromaticContact CD2-CE1 3.85Å; F207-F295 HydrophobicContact CD2-CE1 3.85Å; F207-F295 AromaticContact CD2-CG 3.88Å; F207-F295 HydrophobicContact CD2-CG 3.88Å; F207-F295 HydrophobicContact CD2-CZ 4.46Å; F207-F295 HydrophobicContact CE2-CD1 4.21Å; F207-F295 HydrophobicContact CG-CD1 4.38Å; F207-F295 HydrophobicContact CG-CE1 4.28Å; F207-F296 HydrophobicContact CD1-CZ 4.44Å; F207-F296 HydrophobicContact CD2-CE1 4.47Å; F207-F296 AromaticContact CD2-CE2 3.73Å; F207-F296 HydrophobicContact CD2-CE2 3.73Å; F207-F296 AromaticContact CD2-CZ 3.6Å; F207-F296 HydrophobicContact CD2-CZ 3.6Å; F207-F296 HydrophobicContact CE1-CE2 4.33Å; F207-F296 HydrophobicContact CE1-CZ 4.31Å; F207-F296 AromaticContact CE2-CD2 3.99Å; F207-F296 HydrophobicContact CE2-CD2 3.99Å; F207-F296 AromaticContact CE2-CE2 3.07Å; F207-F296 HydrophobicContact CE2-CE2 3.07Å; F207-F296 AromaticContact CE2-CZ 3.43Å; F207-F296 HydrophobicContact CE2-CZ 3.43Å; F207-F296 VanDerWaalsContact CE2-CZ 3.43Å; F207-F296 HydrophobicContact CG-CZ 4.11Å; F207-F296 AromaticContact CZ-CE2 3.44Å; F207-F296 HydrophobicContact CZ-CE2 3.44Å; F207-F296 VanDerWaalsContact CZ-CE2 3.44Å; F207-F296 AromaticContact CZ-CZ 3.82Å; F207-F296 HydrophobicContact CZ-CZ 3.82Å
208	Y	80.1	Confident	80.9	Confident	3 Å²	3	70.8 Å²	70.8	1%	0.012	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	14.7	179.8	-68.6	-71	0	0	0	114	A204 D206 H210 K211 F217 L220 M224	A204-Y208 WeakPolarHBondContact O-CB 3.25Å; A204-Y208 VanDerWaalsContact O-CD2 3.31Å; A204-Y208 WeakPolarHBondContact O-CD2 3.42Å; A204-Y208 PolarHBondContact O-N 3.4Å; D206-Y208 PolarHBondContact O-N 3.15Å; Y208-H210 PolarHBondContact O-N 2.79Å; Y208-K211 HydrophobicContact CD1-CD 4.33Å; Y208-K211 WeakPolarHBondContact O-CA 3.37Å; Y208-K211 WeakPolarHBondContact O-CB 3.49Å; Y208-K211 PolarHBondContact O-N 2.95Å; Y208-F217 VanDerWaalsContact O-CE2 3.23Å; Y208-F217 WeakPolarHBondContact O-CE2 3.27Å; Y208-L220 HydrophobicContact CD1-CD2 3.75Å; Y208-L220 HydrophobicContact CD2-CD2 4.19Å; Y208-L220 HydrophobicContact CD2-CG 4.29Å; Y208-L220 HydrophobicContact CE1-CD2 4.15Å; Y208-L220 HydrophobicContact CG-CD2 3.76Å; Y208-L220 HydrophobicContact CG-CG 4.35Å; Y208-M224 HydrophobicContact CD2-CG 4.41Å; Y208-M224 HydrophobicContact CE2-CB 4.26Å; Y208-M224 HydrophobicContact CE2-CE 4.35Å; Y208-M224 HydrophobicContact CE2-CG 3.59Å; Y208-M224 HydrophobicContact CE2-SD 4.3Å
209	Q	79.1	Confident	80.8	Confident	136 Å²	136	70.9 Å²	70.9	64%	0.636	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-52.9	-34	-175	-172.4	-174.8	26.5	0	0	113.8	R205 D206 K211 A212	R205-Q209 WeakPolarHBondContact O-CA 3.31Å; R205-Q209 PolarHBondContact O-N 2.88Å; D206-Q209 WeakPolarHBondContact O-CB 3.36Å; D206-Q209 PolarHBondContact O-N 2.87Å; Q209-K211 PolarHBondContact O-N 3.11Å; Q209-K211 VanDerWaalsContact O-N 3.08Å; Q209-A212 WeakPolarHBondContact O-CB 3.42Å; Q209-A212 PolarHBondContact O-N 3.1Å
210	H	76	Confident	80.7	Confident	108 Å²	108	70.9 Å²	70.9	50%	0.5	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-60	-18	175.7	66.2	-82.2	0	0	0	114	Y208	Y208-H210 PolarHBondContact O-N 2.79Å
211	K	75.9	Confident	80.6	Confident	58 Å²	58	68 Å²	68	25%	0.252	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-101.8	8.7	175.9	-57	-166.6	171.8	-169.5	0	113.7	Y208 Q209 A213 E214 F217 L220	Y208-K211 HydrophobicContact CD1-CD 4.33Å; Y208-K211 WeakPolarHBondContact O-CA 3.37Å; Y208-K211 WeakPolarHBondContact O-CB 3.49Å; Y208-K211 PolarHBondContact O-N 2.95Å; Q209-K211 PolarHBondContact O-N 3.11Å; Q209-K211 VanDerWaalsContact O-N 3.08Å; K211-A213 PolarHBondContact O-N 2.8Å; K211-E214 HydrophobicContact CB-CG 4.26Å; K211-E214 WeakPolarHBondContact CG-OE1 3.38Å; K211-E214 WeakPolarHBondContact O-CB 3.37Å; K211-E214 PolarHBondContact O-N 2.85Å; K211-F217 HydrophobicContact CB-CD2 4.15Å; K211-L220 HydrophobicContact CD-CD2 4.07Å
212	A	78.4	Confident	80.6	Confident	58 Å²	58	67.8 Å²	67.8	48%	0.479	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.7	-177	0	0	0	0	0	114.1	Q209 F217	Q209-A212 WeakPolarHBondContact O-CB 3.42Å; Q209-A212 PolarHBondContact O-N 3.1Å; A212-F217 HydrophobicContact CB-CD1 4.38Å; A212-F217 HydrophobicContact CB-CE1 4.15Å; A212-F217 HydrophobicContact CB-CZ 4.21Å
213	A	78.3	Confident	80.7	Confident	107 Å²	107	65.3 Å²	65.3	88%	0.884	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-8.1	176	0	0	0	0	0	114.2	K211	K211-A213 PolarHBondContact O-N 2.8Å
214	E	79.3	Confident	80.8	Confident	89 Å²	89	63 Å²	63	42%	0.416	34%	0.344	S	S	.	.	S	Bend	trans	-80.5	139.5	179.8	-63.5	-179.7	-159.4	0	0	111.1	K211 C216 F217	K211-E214 HydrophobicContact CB-CG 4.26Å; K211-E214 WeakPolarHBondContact CG-OE1 3.38Å; K211-E214 WeakPolarHBondContact O-CB 3.37Å; K211-E214 PolarHBondContact O-N 2.85Å; E214-C216 PolarHBondContact O-N 3.08Å; E214-C216 VanDerWaalsContact O-N 3.15Å; E214-F217 VanDerWaalsContact O-CB 3.24Å; E214-F217 WeakPolarHBondContact O-CB 3.16Å; E214-F217 PolarHBondContact O-N 3.03Å
215	A	77.2	Confident	80.9	Confident	113 Å²	113	64.2 Å²	64.2	93%	0.934	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23	-176.7	0	0	0	0	0	113.9
216	C	77.4	Confident	80.9	Confident	36 Å²	36	62.3 Å²	62.3	24%	0.243	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	14.2	178	61	0	0	0	0	113.3	E214 D219 L220 F277	E214-C216 PolarHBondContact O-N 3.08Å; E214-C216 VanDerWaalsContact O-N 3.15Å; C216-D219 PolarHBondContact O-N 3.04Å; C216-L220 WeakPolarHBondContact O-CB 3.43Å; C216-L220 PolarHBondContact O-N 3.17Å; C216-F277 HydrophobicContact CB-CZ 4.39Å
217	F	82	Confident	81	Confident	13 Å²	13	58.1 Å²	58.1	6%	0.057	34%	0.339	C	S	.	.	H	α-helix	trans	-61.5	-47	-177.2	177.3	-113.7	0	0	0	112.6	R205 Y208 K211 A212 E214 D219 L220 V221	R205-F217 HydrophobicContact CB-CZ 4.46Å; R205-F217 HydrophobicContact CG-CE1 3.75Å; R205-F217 HydrophobicContact CG-CZ 3.57Å; Y208-F217 VanDerWaalsContact O-CE2 3.23Å; Y208-F217 WeakPolarHBondContact O-CE2 3.27Å; K211-F217 HydrophobicContact CB-CD2 4.15Å; A212-F217 HydrophobicContact CB-CD1 4.38Å; A212-F217 HydrophobicContact CB-CE1 4.15Å; A212-F217 HydrophobicContact CB-CZ 4.21Å; E214-F217 VanDerWaalsContact O-CB 3.24Å; E214-F217 WeakPolarHBondContact O-CB 3.16Å; E214-F217 PolarHBondContact O-N 3.03Å; F217-D219 VanDerWaalsContact C-N 3.33Å; F217-D219 PolarHBondContact O-N 3.2Å; F217-L220 WeakPolarHBondContact O-CB 3.47Å; F217-L220 PolarHBondContact O-N 3.09Å; F217-L220 VanDerWaalsContact O-N 3.15Å; F217-V221 HydrophobicContact CD2-CG2 4.4Å; F217-V221 HydrophobicContact CE1-CG2 4.23Å; F217-V221 HydrophobicContact CE2-CG2 3.97Å; F217-V221 HydrophobicContact CZ-CG2 3.9Å; F217-V221 WeakPolarHBondContact O-CG2 3.13Å; F217-V221 PolarHBondContact O-N 3.17Å
218	E	83.9	Confident	81.1	Confident	102 Å²	102	59.6 Å²	59.6	48%	0.477	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-38.6	179.2	-64.1	-63	156.2	0	0	111.3	R205 L220 V221 Q222	R205-E218 IonicContact CZ-OE1 2.72Å; R205-E218 IonicContact NE-OE1 3.44Å; R205-E218 IonicContact NH2-OE1 3.3Å; R205-E218 PolarHBondContact NH2-OE1 3.37Å; E218-L220 VanDerWaalsContact C-N 3.31Å; E218-L220 PolarHBondContact O-N 3.04Å; E218-V221 PolarHBondContact O-N 3.41Å; E218-Q222 WeakPolarHBondContact O-CB 3.32Å; E218-Q222 PolarHBondContact O-N 2.98Å
219	D	82.6	Confident	81.5	Confident	78 Å²	78	59.5 Å²	59.5	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-64.6	-35.2	174.4	-61	-36.8	0	0	0	111.8	C216 F217 F223 F277	C216-D219 PolarHBondContact O-N 3.04Å; F217-D219 VanDerWaalsContact C-N 3.33Å; F217-D219 PolarHBondContact O-N 3.2Å; D219-F223 WeakPolarHBondContact O-CB 3.35Å; D219-F223 PolarHBondContact O-N 3.3Å; D219-F277 HydrophobicContact CB-CE2 4.19Å; D219-F277 HydrophobicContact CB-CZ 4.03Å
220	L	81.2	Confident	81.7	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-69.2	-43.8	177.6	176.7	63	0	0	0	111.6	Y208 K211 C216 F217 E218 F223 M224 F277	Y208-L220 HydrophobicContact CD1-CD2 3.75Å; Y208-L220 HydrophobicContact CD2-CD2 4.19Å; Y208-L220 HydrophobicContact CD2-CG 4.29Å; Y208-L220 HydrophobicContact CE1-CD2 4.15Å; Y208-L220 HydrophobicContact CG-CD2 3.76Å; Y208-L220 HydrophobicContact CG-CG 4.35Å; K211-L220 HydrophobicContact CD-CD2 4.07Å; C216-L220 WeakPolarHBondContact O-CB 3.43Å; C216-L220 PolarHBondContact O-N 3.17Å; F217-L220 WeakPolarHBondContact O-CB 3.47Å; F217-L220 PolarHBondContact O-N 3.09Å; F217-L220 VanDerWaalsContact O-N 3.15Å; E218-L220 VanDerWaalsContact C-N 3.31Å; E218-L220 PolarHBondContact O-N 3.04Å; L220-F223 PolarHBondContact O-N 3.48Å; L220-M224 HydrophobicContact CD1-CG 3.98Å; L220-M224 HydrophobicContact CG-CG 4.49Å; L220-M224 WeakPolarHBondContact O-CB 3.48Å; L220-M224 VanDerWaalsContact O-CG 3.28Å; L220-M224 WeakPolarHBondContact O-CG 3.3Å; L220-M224 PolarHBondContact O-N 2.77Å; L220-F277 HydrophobicContact CB-CD1 4.45Å; L220-F277 HydrophobicContact CB-CE1 3.62Å; L220-F277 HydrophobicContact CB-CE2 4.38Å; L220-F277 HydrophobicContact CB-CZ 3.58Å; L220-F277 HydrophobicContact CD1-CD1 3.62Å; L220-F277 HydrophobicContact CD1-CE1 3.68Å; L220-F277 HydrophobicContact CD1-CG 4.1Å; L220-F277 HydrophobicContact CD1-CZ 4.19Å; L220-F277 HydrophobicContact CG-CE1 4.15Å; L220-F277 HydrophobicContact CG-CZ 4.48Å; L220-F277 VanDerWaalsContact N-CZ 3.34Å
221	V	84.7	Confident	82.2	Confident	6 Å²	6	48.5 Å²	48.5	4%	0.036	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-50.8	176.6	171.1	0	0	0	0	109.5	E201 A204 R205 F217 E218 F223 M224 S225	E201-V221 HydrophobicContact CB-CG1 4.21Å; E201-V221 WeakPolarHBondContact O-CG1 3.44Å; A204-V221 HydrophobicContact CB-CG1 4.1Å; R205-V221 HydrophobicContact CB-CG1 4.4Å; R205-V221 HydrophobicContact CB-CG2 4.21Å; R205-V221 HydrophobicContact CG-CG2 4.29Å; F217-V221 HydrophobicContact CD2-CG2 4.4Å; F217-V221 HydrophobicContact CE1-CG2 4.23Å; F217-V221 HydrophobicContact CE2-CG2 3.97Å; F217-V221 HydrophobicContact CZ-CG2 3.9Å; F217-V221 WeakPolarHBondContact O-CG2 3.13Å; F217-V221 PolarHBondContact O-N 3.17Å; E218-V221 PolarHBondContact O-N 3.41Å; V221-F223 VanDerWaalsContact C-N 3.27Å; V221-F223 PolarHBondContact O-N 2.8Å; V221-M224 PolarHBondContact O-N 3.38Å; V221-S225 WeakPolarHBondContact O-CB 3.41Å; V221-S225 PolarHBondContact O-N 2.85Å; V221-S225 PolarHBondContact O-OG 2.63Å
222	Q	83.6	Confident	82.5	Confident	127 Å²	127	45.7 Å²	45.7	59%	0.593	29%	0.286	S	S	*	.	H	α-helix	trans	-59	-40.4	178	-170.9	179	8.5	0	0	112	E218 S225 S226	E218-Q222 WeakPolarHBondContact O-CB 3.32Å; E218-Q222 PolarHBondContact O-N 2.98Å; Q222-S225 PolarHBondContact O-N 2.91Å; Q222-S226 PolarHBondContact O-N 2.89Å
223	F	83.4	Confident	82.7	Confident	44 Å²	44	43 Å²	43	19%	0.193	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-44.2	177.6	176	-98.4	0	0	0	112.8	K168 D170 D219 L220 V221 S225 S226 F277	K168-F223 HydrophobicContact CB-CE1 3.99Å; K168-F223 HydrophobicContact CB-CZ 4.45Å; K168-F223 HydrophobicContact CD-CD1 4.5Å; K168-F223 HydrophobicContact CD-CE1 3.73Å; D170-F223 HydrophobicContact CB-CE2 3.98Å; D170-F223 HydrophobicContact CB-CZ 3.74Å; D219-F223 WeakPolarHBondContact O-CB 3.35Å; D219-F223 PolarHBondContact O-N 3.3Å; L220-F223 PolarHBondContact O-N 3.48Å; V221-F223 VanDerWaalsContact C-N 3.27Å; V221-F223 PolarHBondContact O-N 2.8Å; F223-S225 PolarHBondContact O-N 2.8Å; F223-S226 WeakPolarHBondContact O-CB 3.39Å; F223-S226 PolarHBondContact O-N 3.11Å; F223-S226 PolarHBondContact O-OG 3.21Å; F223-F277 HydrophobicContact CB-CD2 3.93Å; F223-F277 HydrophobicContact CB-CE2 3.96Å; F223-F277 HydrophobicContact CD1-CB 4.2Å; F223-F277 AromaticContact CD1-CD2 3.79Å; F223-F277 HydrophobicContact CD1-CD2 3.79Å; F223-F277 HydrophobicContact CD1-CG 4.18Å; F223-F277 HydrophobicContact CD2-CD2 4.16Å; F223-F277 HydrophobicContact CE1-CB 3.97Å; F223-F277 HydrophobicContact CE1-CD2 4.32Å; F223-F277 HydrophobicContact CE1-CG 4.46Å; F223-F277 AromaticContact CG-CD2 3.68Å; F223-F277 HydrophobicContact CG-CD2 3.68Å; F223-F277 HydrophobicContact CG-CE2 4.23Å; F223-F277 HydrophobicContact CZ-CB 4.39Å
224	M	84.5	Confident	83	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.7	-23.8	-179.8	-71.6	-66	-46	0	0	112.6	I166 K168 L199 A204 Y208 L220 V221	I166-M224 HydrophobicContact CG2-CE 4.22Å; K168-M224 HydrophobicContact CB-SD 4.35Å; K168-M224 HydrophobicContact CD-SD 3.66Å; K168-M224 HydrophobicContact CG-SD 3.86Å; L199-M224 HydrophobicContact CD1-CE 4.03Å; A204-M224 HydrophobicContact CB-CB 4.15Å; Y208-M224 HydrophobicContact CD2-CG 4.41Å; Y208-M224 HydrophobicContact CE2-CB 4.26Å; Y208-M224 HydrophobicContact CE2-CE 4.35Å; Y208-M224 HydrophobicContact CE2-CG 3.59Å; Y208-M224 HydrophobicContact CE2-SD 4.3Å; L220-M224 HydrophobicContact CD1-CG 3.98Å; L220-M224 HydrophobicContact CG-CG 4.49Å; L220-M224 WeakPolarHBondContact O-CB 3.48Å; L220-M224 VanDerWaalsContact O-CG 3.28Å; L220-M224 WeakPolarHBondContact O-CG 3.3Å; L220-M224 PolarHBondContact O-N 2.77Å; V221-M224 PolarHBondContact O-N 3.38Å
225	S	86.3	Confident	83.1	Confident	24 Å²	24	33.6 Å²	33.6	17%	0.168	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-1.6	174.1	-61.3	0	0	0	0	114.5	L199 T200 E201 V221 Q222 F223 G227	L199-S225 WeakPolarHBondContact O-CA 3.37Å; L199-S225 WeakPolarHBondContact O-CB 3.4Å; L199-S225 PolarHBondContact O-OG 2.92Å; T200-S225 PolarHBondContact O-OG 3.45Å; E201-S225 WeakPolarHBondContact CA-OG 3.39Å; E201-S225 PolarHBondContact N-OG 2.8Å; V221-S225 WeakPolarHBondContact O-CB 3.41Å; V221-S225 PolarHBondContact O-N 2.85Å; V221-S225 PolarHBondContact O-OG 2.63Å; Q222-S225 PolarHBondContact O-N 2.91Å; F223-S225 PolarHBondContact O-N 2.8Å; S225-G227 VanDerWaalsContact C-N 3.29Å; S225-G227 PolarHBondContact O-N 3.15Å
226	S	83.8	Confident	82.9	Confident	86 Å²	86	30.4 Å²	30.4	60%	0.601	17%	0.168	S	C	*	.	S	Bend	trans	-77.9	-10.4	-175.3	78.3	0	0	0	0	114.3	Q222 F223	Q222-S226 PolarHBondContact O-N 2.89Å; F223-S226 WeakPolarHBondContact O-CB 3.39Å; F223-S226 PolarHBondContact O-N 3.11Å; F223-S226 PolarHBondContact O-OG 3.21Å
227	G	82.6	Confident	81.9	Confident	12 Å²	12	34 Å²	34	12%	0.124	18%	0.183	C	C	.	.	S	Bend	trans	178.1	-177.7	-177.8	0	0	0	0	0	114.5	P169 S225	P169-G227 WeakPolarHBondContact CG-O 3.3Å; S225-G227 VanDerWaalsContact C-N 3.29Å; S225-G227 PolarHBondContact O-N 3.15Å
228	P	83.9	Confident	80.6	Confident	46 Å²	46	41.2 Å²	41.2	30%	0.299	22%	0.217	S	C	.	.			trans	-68.6	135.7	-176.9	27.2	-33.8	0	0	0	111.6	P169 V172 E196 T198	P169-P228 WeakPolarHBondContact CA-O 3.28Å; V172-P228 WeakPolarHBondContact CB-O 3.36Å; V172-P228 HydrophobicContact CG1-CG 4.04Å; V172-P228 WeakPolarHBondContact CG2-O 3.4Å; E196-P228 HydrophobicContact CG-CB 4.01Å; T198-P228 WeakPolarHBondContact OG1-CA 3.3Å
229	S	86.8	Confident	79.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.7	170.1	-61.8	0	0	0	0	109.8	I167 P169 E196 R197	I167-S229 VanDerWaalsContact O-CA 3.32Å; I167-S229 WeakPolarHBondContact O-CA 3.38Å; I167-S229 WeakPolarHBondContact O-CB 3.36Å; P169-S229 VanDerWaalsContact CD-OG 3.3Å; P169-S229 WeakPolarHBondContact CD-OG 3.43Å; P169-S229 WeakPolarHBondContact CG-OG 3.39Å; E196-S229 CarbonylContact C-O 3.57Å; E196-S229 WeakPolarHBondContact CA-O 3.5Å; R197-S229 PolarHBondContact N-O 3.15Å; R197-S229 PolarHBondContact O-N 2.95Å
230	H	84	Confident	77.7	Confident	11 Å²	11	40.8 Å²	40.8	5%	0.051	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.8	167.9	-69.4	-120.1	0	0	0	109.3	I166 I167 H194 E195 E196	I166-H230 CarbonylContact C-O 3.5Å; I166-H230 WeakPolarHBondContact CA-O 3.4Å; I167-H230 HydrophobicContact CB-CB 4.11Å; I167-H230 HydrophobicContact CD1-CB 4.2Å; I167-H230 HydrophobicContact CG1-CB 4.39Å; I167-H230 PolarHBondContact N-O 3.32Å; I167-H230 PolarHBondContact O-N 3.42Å; H194-H230 AromaticContact CD2-ND1 3.9Å; H194-H230 AromaticContact CE1-ND1 3.49Å; H194-H230 PolarHBondContact CE1-ND1 3.4Å; H194-H230 AromaticContact NE2-CE1 3.73Å; H194-H230 AromaticContact NE2-CG 3.75Å; H194-H230 AromaticContact NE2-ND1 2.87Å; H194-H230 PolarHBondContact NE2-ND1 2.9Å; E195-H230 CarbonylContact O-C 3.54Å; E195-H230 WeakPolarHBondContact O-CA 3.31Å; E196-H230 IonicContact OE2-CE1 3.17Å; E196-H230 PolarHBondContact OE2-CE1 3.23Å; E196-H230 IonicContact OE2-NE2 3.41Å; E196-H230 PolarHBondContact OE2-NE2 3.38Å
231	I	85.5	Confident	76.6	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.7	177.7	-52.7	156.4	0	0	0	107.3	V164 I166 H194 E195 R197 F296 F297	V164-I231 HydrophobicContact CG1-CG2 4.02Å; I166-I231 HydrophobicContact CG2-CG1 4.47Å; H194-I231 WeakPolarHBondContact CA-O 3.42Å; E195-I231 PolarHBondContact N-O 2.83Å; E195-I231 PolarHBondContact O-N 2.88Å; R197-I231 HydrophobicContact CB-CD1 3.86Å; I231-F296 HydrophobicContact CD1-CB 4.36Å; I231-F296 HydrophobicContact CD1-CD1 3.38Å; I231-F296 HydrophobicContact CD1-CD2 4.45Å; I231-F296 HydrophobicContact CD1-CE1 3.68Å; I231-F296 HydrophobicContact CD1-CG 3.83Å; I231-F296 HydrophobicContact CD1-CZ 4.32Å; I231-F296 HydrophobicContact CG1-CD1 4.36Å; I231-F296 HydrophobicContact CG1-CE1 4.45Å; I231-F296 HydrophobicContact CG1-CG 4.49Å; I231-F296 HydrophobicContact CG2-CB 4.05Å; I231-F296 HydrophobicContact CG2-CD2 3.8Å; I231-F296 HydrophobicContact CG2-CE2 4.37Å; I231-F296 HydrophobicContact CG2-CG 3.9Å; I231-F297 HydrophobicContact CB-CE2 4.47Å; I231-F297 HydrophobicContact CB-CZ 4.45Å; I231-F297 HydrophobicContact CG2-CE2 3.63Å; I231-F297 HydrophobicContact CG2-CZ 4.08Å
232	L	83.1	Confident	75.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.2	-176.1	-53.8	171.5	0	0	0	109.4	A165 I167 I181 I184 I191 A193 H194 L234	A165-L232 HydrophobicContact CB-CB 4.25Å; A165-L232 PolarHBondContact N-O 2.84Å; A165-L232 PolarHBondContact O-N 2.98Å; I167-L232 HydrophobicContact CD1-CD1 3.99Å; I167-L232 HydrophobicContact CG1-CD1 4.37Å; I181-L232 HydrophobicContact CD1-CD2 4.42Å; I181-L232 HydrophobicContact CG1-CD1 3.94Å; I181-L232 HydrophobicContact CG1-CD2 4.46Å; I184-L232 HydrophobicContact CD1-CD1 3.81Å; I191-L232 HydrophobicContact CG2-CD2 4.14Å; A193-L232 WeakPolarHBondContact O-CA 3.49Å; H194-L232 HydrophobicContact CB-CD2 3.62Å; H194-L232 WeakPolarHBondContact CD2-CD2 3.46Å; H194-L232 VanDerWaalsContact CG-CD2 3.46Å; L232-L234 HydrophobicContact CB-CD2 3.99Å; L232-L234 HydrophobicContact CB-CG 4.5Å
233	V	82.9	Confident	75.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	116.7	166.8	-175.2	0	0	0	0	108.2	L192 A193 L293 F297 F300	L192-V233 HydrophobicContact CB-CB 4.4Å; L192-V233 HydrophobicContact CB-CG1 4.34Å; L192-V233 HydrophobicContact CD1-CG1 4.47Å; L192-V233 PolarHBondContact N-O 3.31Å; A193-V233 HydrophobicContact CB-CB 4.05Å; A193-V233 HydrophobicContact CB-CG2 3.89Å; A193-V233 PolarHBondContact O-N 2.94Å; V233-L293 HydrophobicContact CB-CD1 4.5Å; V233-L293 HydrophobicContact CG1-CD1 4.03Å; V233-L293 HydrophobicContact CG2-CD1 3.6Å; V233-F297 HydrophobicContact CG2-CD2 3.61Å; V233-F297 HydrophobicContact CG2-CE2 3.46Å; V233-F297 VanDerWaalsContact CG2-CE2 3.46Å; V233-F297 HydrophobicContact CG2-CG 4.37Å; V233-F297 HydrophobicContact CG2-CZ 4.13Å; V233-F300 HydrophobicContact CB-CE2 4.09Å; V233-F300 HydrophobicContact CB-CZ 4.36Å; V233-F300 HydrophobicContact CG1-CE1 4.23Å; V233-F300 HydrophobicContact CG1-CE2 3.71Å; V233-F300 HydrophobicContact CG1-CZ 3.49Å; V233-F300 VanDerWaalsContact CG1-CZ 3.49Å; V233-F300 HydrophobicContact CG2-CD2 4.42Å; V233-F300 HydrophobicContact CG2-CE2 4.16Å
234	L	83.6	Confident	75.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	145.1	-176	-54.4	-176.5	0	0	0	110.8	Y162 T163 A165 I184 E190 I191 L232 I243 W247	Y162-L234 CarbonylContact C-O 3.57Å; Y162-L234 WeakPolarHBondContact CA-O 3.39Å; Y162-L234 WeakPolarHBondContact CB-O 3.5Å; T163-L234 HydrophobicContact CG2-CB 3.97Å; T163-L234 HydrophobicContact CG2-CD1 4.49Å; T163-L234 PolarHBondContact N-O 3.29Å; T163-L234 PolarHBondContact O-N 3.17Å; A165-L234 HydrophobicContact CB-CD1 3.57Å; A165-L234 HydrophobicContact CB-CG 3.95Å; I184-L234 HydrophobicContact CG2-CD1 4Å; I184-L234 HydrophobicContact CG2-CD2 3.74Å; E190-L234 CarbonylContact O-C 3.24Å; E190-L234 WeakPolarHBondContact O-CA 3.35Å; I191-L234 HydrophobicContact CB-CD2 4.47Å; I191-L234 HydrophobicContact CG1-CD2 3.75Å; L232-L234 HydrophobicContact CB-CD2 3.99Å; L232-L234 HydrophobicContact CB-CG 4.5Å; L234-I243 VanDerWaalsContact C-CD1 3.45Å; L234-I243 HydrophobicContact CB-CD1 3.93Å; L234-I243 WeakPolarHBondContact O-CD1 3.45Å; L234-W247 HydrophobicContact CD1-CD2 3.7Å; L234-W247 HydrophobicContact CD1-CE3 3.53Å; L234-W247 HydrophobicContact CD1-CH2 3.71Å; L234-W247 HydrophobicContact CD1-CZ2 3.82Å; L234-W247 HydrophobicContact CD1-CZ3 3.53Å
235	S	82.8	Confident	75.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	158.5	171.5	-175.3	0	0	0	0	110.5	E190 L192	E190-S235 PolarHBondContact N-O 3.36Å; E190-S235 PolarHBondContact O-N 3.5Å; L192-S235 VanDerWaalsContact CD1-CB 3.44Å
236	Q	72.9	Confident	75.2	Confident	46 Å²	46	44.3 Å²	44.3	22%	0.215	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.6	179.4	-163.6	172.3	35.2	0	0	110.1	T240 I243	Q236-T240 PolarHBondContact NE2-OG1 2.94Å; Q236-T240 PolarHBondContact OE1-OG1 3.22Å; Q236-I243 HydrophobicContact CB-CD1 4.43Å
237	I	56.8	Low	75.3	Confident	111 Å²	111	40.2 Å²	40.2	57%	0.569	26%	0.255	S	S	*	.			trans	-65	136.3	174.5	-59.1	170.1	0	0	0	108.9
238	E	54.3	Low	75.4	Confident	164 Å²	164	44.6 Å²	44.6	77%	0.766	27%	0.268	S	S	*	.	S	Bend	trans	-38.8	129.7	-170.4	-71.8	176.9	151.2	0	0	115.4
239	G	54.3	Low	75.4	Confident	80 Å²	80	48.5 Å²	48.5	83%	0.825	28%	0.282	S	S	*	.	S	Bend	trans	129.6	-1.9	163	0	0	0	0	0	117.6
240	T	51.6	Low	75.3	Confident	92 Å²	92	51.3 Å²	51.3	56%	0.564	29%	0.294	S	S	*	.	S	Bend	trans	-133.5	153.7	-178.3	45	0	0	0	0	114.4	Q236	Q236-T240 PolarHBondContact NE2-OG1 2.94Å; Q236-T240 PolarHBondContact OE1-OG1 3.22Å
241	A	58.1	Low	75.3	Confident	90 Å²	90	50.8 Å²	50.8	74%	0.744	29%	0.292	S	S	*	.	S	Bend	trans	-66.4	134.7	-174.9	0	0	0	0	0	112.7
242	N	68.2	Low	75.2	Confident	80 Å²	80	50.9 Å²	50.9	43%	0.428	29%	0.294	S	S	.	.			trans	31.9	106.4	165.5	-161	-19.2	0	0	0	116	I244 P245	N242-I244 PolarHBondContact O-N 3.38Å; N242-I244 VanDerWaalsContact O-N 3.13Å; N242-I244 PolarHBondContact OD1-N 3.02Å; N242-P245 HydrophobicContact CB-CG 4.26Å; N242-P245 VanDerWaalsContact O-CD 3.25Å; N242-P245 WeakPolarHBondContact O-CD 3.19Å
243	I	80.1	Confident	75.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-55.3	-30.2	178.2	-174.4	161.4	0	0	0	114.3	S161 Y162 T163 F189 L234 Q236 A246 W247	S161-I243 VanDerWaalsContact C-CG2 3.48Å; S161-I243 WeakPolarHBondContact O-CG2 3.36Å; S161-I243 WeakPolarHBondContact OG-CB 3.3Å; S161-I243 WeakPolarHBondContact OG-CG2 3.38Å; S161-I243 PolarHBondContact OG-N 2.93Å; Y162-I243 VanDerWaalsContact C-CG2 3.43Å; Y162-I243 WeakPolarHBondContact O-CG2 3.21Å; T163-I243 HydrophobicContact CG2-CD1 3.96Å; T163-I243 HydrophobicContact CG2-CG1 3.89Å; T163-I243 HydrophobicContact CG2-CG2 4.28Å; F189-I243 HydrophobicContact CD1-CD1 3.96Å; F189-I243 HydrophobicContact CD1-CG1 4.19Å; F189-I243 HydrophobicContact CE1-CD1 4.33Å; F189-I243 HydrophobicContact CE1-CG1 4.04Å; L234-I243 VanDerWaalsContact C-CD1 3.45Å; L234-I243 HydrophobicContact CB-CD1 3.93Å; L234-I243 WeakPolarHBondContact O-CD1 3.45Å; Q236-I243 HydrophobicContact CB-CD1 4.43Å; I243-A246 PolarHBondContact O-N 3.08Å; I243-W247 VanDerWaalsContact O-CB 3.31Å; I243-W247 WeakPolarHBondContact O-CB 3.4Å; I243-W247 PolarHBondContact O-N 3.14Å
244	I	80.8	Confident	74.8	Confident	6 Å²	6	55.2 Å²	55.2	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-52.2	-171.4	-62	173.9	0	0	0	111	N242 A246 W247 R248 S283 S286 A289	N242-I244 PolarHBondContact O-N 3.38Å; N242-I244 VanDerWaalsContact O-N 3.13Å; N242-I244 PolarHBondContact OD1-N 3.02Å; I244-A246 VanDerWaalsContact C-N 3.32Å; I244-A246 PolarHBondContact O-N 3.42Å; I244-W247 PolarHBondContact O-N 2.95Å; I244-R248 HydrophobicContact CG2-CG 4.48Å; I244-R248 WeakPolarHBondContact O-CB 3.39Å; I244-R248 VanDerWaalsContact O-CG 3.27Å; I244-R248 WeakPolarHBondContact O-CG 3.44Å; I244-R248 PolarHBondContact O-N 3.5Å; I244-S283 WeakPolarHBondContact CG2-O 3.42Å; I244-S286 VanDerWaalsContact CD1-CA 3.47Å; I244-S286 VanDerWaalsContact CD1-N 3.34Å; I244-A289 HydrophobicContact CD1-CB 4.09Å
245	P	80.9	Confident	74.6	Confident	76 Å²	76	59.3 Å²	59.3	49%	0.494	35%	0.349	S	S	.	.	H	α-helix	trans	-51.6	-45.5	168.8	-29.1	30.6	0	0	0	114.4	N242 R248 E249	N242-P245 HydrophobicContact CB-CG 4.26Å; N242-P245 VanDerWaalsContact O-CD 3.25Å; N242-P245 WeakPolarHBondContact O-CD 3.19Å; P245-R248 PolarHBondContact O-N 2.99Å; P245-E249 WeakPolarHBondContact O-CB 3.36Å; P245-E249 PolarHBondContact O-N 2.99Å
246	A	82.1	Confident	74.2	Confident	28 Å²	28	60.3 Å²	60.3	23%	0.231	35%	0.354	C	S	.	.	H	α-helix	trans	-65.3	-43	-178.3	0	0	0	0	0	111.9	F189 I243 I244 E249 F250	F189-A246 HydrophobicContact CE1-CB 4.41Å; F189-A246 HydrophobicContact CZ-CB 4.44Å; I243-A246 PolarHBondContact O-N 3.08Å; I244-A246 VanDerWaalsContact C-N 3.32Å; I244-A246 PolarHBondContact O-N 3.42Å; A246-E249 PolarHBondContact O-N 3.41Å; A246-F250 WeakPolarHBondContact O-CB 3.28Å; A246-F250 PolarHBondContact O-N 3.38Å
247	W	87	Confident	74.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-45.4	176	179.8	-124.9	0	0	0	111.5	T163 A165 I184 F189 L234 I243 I244 E249 F250 I251 L267 V280	T163-W247 HydrophobicContact CG2-CB 3.99Å; T163-W247 HydrophobicContact CG2-CG 3.87Å; A165-W247 HydrophobicContact CB-CH2 4.17Å; A165-W247 HydrophobicContact CB-CZ2 3.35Å; I184-W247 HydrophobicContact CD1-CH2 3.57Å; I184-W247 HydrophobicContact CD1-CZ3 4.15Å; I184-W247 HydrophobicContact CG1-CH2 3.68Å; I184-W247 HydrophobicContact CG1-CZ3 3.78Å; I184-W247 HydrophobicContact CG2-CZ3 4.22Å; F189-W247 HydrophobicContact CD1-CE3 4.4Å; F189-W247 HydrophobicContact CD2-CE3 4.33Å; F189-W247 HydrophobicContact CD2-CZ3 4.41Å; F189-W247 HydrophobicContact CE1-CB 4.22Å; F189-W247 HydrophobicContact CE1-CE3 4.1Å; F189-W247 HydrophobicContact CE2-CE3 4.03Å; F189-W247 HydrophobicContact CE2-CZ3 4.36Å; F189-W247 HydrophobicContact CZ-CB 4.5Å; F189-W247 AromaticContact CZ-CE3 3.91Å; F189-W247 HydrophobicContact CZ-CE3 3.91Å; L234-W247 HydrophobicContact CD1-CD2 3.7Å; L234-W247 HydrophobicContact CD1-CE3 3.53Å; L234-W247 HydrophobicContact CD1-CH2 3.71Å; L234-W247 HydrophobicContact CD1-CZ2 3.82Å; L234-W247 HydrophobicContact CD1-CZ3 3.53Å; I243-W247 VanDerWaalsContact O-CB 3.31Å; I243-W247 WeakPolarHBondContact O-CB 3.4Å; I243-W247 PolarHBondContact O-N 3.14Å; I244-W247 PolarHBondContact O-N 2.95Å; W247-E249 PolarHBondContact O-N 3.45Å; W247-F250 HydrophobicContact CE3-CD1 4.01Å; W247-F250 HydrophobicContact CH2-CD1 4.43Å; W247-F250 AromaticContact CZ3-CD1 3.57Å; W247-F250 HydrophobicContact CZ3-CD1 3.57Å; W247-F250 HydrophobicContact CZ3-CE1 4.05Å; W247-F250 PolarHBondContact O-N 3.29Å; W247-I251 HydrophobicContact CD2-CG2 3.81Å; W247-I251 VanDerWaalsContact CE2-CG2 3.43Å; W247-I251 HydrophobicContact CE3-CG2 4.04Å; W247-I251 HydrophobicContact CH2-CG2 3.53Å; W247-I251 HydrophobicContact CZ2-CG2 3.29Å; W247-I251 HydrophobicContact CZ3-CG2 3.91Å; W247-I251 WeakPolarHBondContact O-CG1 3.12Å; W247-I251 WeakPolarHBondContact O-CG2 3.41Å; W247-I251 PolarHBondContact O-N 2.92Å; W247-L267 HydrophobicContact CH2-CD1 4.06Å; W247-L267 HydrophobicContact CZ3-CD1 4.48Å; W247-V280 HydrophobicContact CH2-CG1 4.22Å; W247-V280 HydrophobicContact CZ2-CG1 3.62Å
248	R	83	Confident	75.6	Confident	103 Å²	103	61.8 Å²	61.8	39%	0.389	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-39.5	177.7	-71.3	-179.1	69.6	80.6	-0.7	112.6	I244 P245 F250 G252 S283	I244-R248 HydrophobicContact CG2-CG 4.48Å; I244-R248 WeakPolarHBondContact O-CB 3.39Å; I244-R248 VanDerWaalsContact O-CG 3.27Å; I244-R248 WeakPolarHBondContact O-CG 3.44Å; I244-R248 PolarHBondContact O-N 3.5Å; P245-R248 PolarHBondContact O-N 2.99Å; R248-F250 VanDerWaalsContact C-N 3.32Å; R248-G252 PolarHBondContact O-N 3.24Å; R248-G252 VanDerWaalsContact O-N 3.08Å; R248-S283 WeakPolarHBondContact CD-O 3.35Å; R248-S283 PolarHBondContact NH1-O 2.78Å
249	E	84.1	Confident	76.9	Confident	128 Å²	128	54 Å²	54	60%	0.598	32%	0.322	S	S	*	.	H	α-helix	trans	-61.8	-41.3	173.8	168.5	134.1	-123.8	0	0	111.8	P245 A246 W247 K263	P245-E249 WeakPolarHBondContact O-CB 3.36Å; P245-E249 PolarHBondContact O-N 2.99Å; A246-E249 PolarHBondContact O-N 3.41Å; W247-E249 PolarHBondContact O-N 3.45Å; E249-K263 IonicContact OE1-NZ 2.58Å; E249-K263 PolarHBondContact OE1-NZ 3.06Å
250	F	84.4	Confident	78.1	Confident	60 Å²	60	54.2 Å²	54.2	26%	0.263	30%	0.298	S	S	.	.	H	α-helix	trans	-71.4	-42.7	-179.1	-175.8	-111.2	0	0	0	113.3	K183 I184 A187 F189 A246 W247 R248 L267	K183-F250 WeakPolarHBondContact O-CZ 3.36Å; I184-F250 HydrophobicContact CG1-CE1 4.31Å; A187-F250 HydrophobicContact CB-CD2 4.04Å; A187-F250 HydrophobicContact CB-CE1 4.11Å; A187-F250 HydrophobicContact CB-CE2 3.39Å; A187-F250 HydrophobicContact CB-CZ 3.42Å; A187-F250 VanDerWaalsContact CB-CZ 3.42Å; F189-F250 HydrophobicContact CE2-CB 4.1Å; F189-F250 AromaticContact CE2-CD1 3.84Å; F189-F250 HydrophobicContact CE2-CD1 3.84Å; F189-F250 HydrophobicContact CE2-CD2 4.45Å; F189-F250 HydrophobicContact CE2-CE1 4.35Å; F189-F250 AromaticContact CE2-CG 3.88Å; F189-F250 HydrophobicContact CE2-CG 3.88Å; F189-F250 HydrophobicContact CZ-CB 4.19Å; F189-F250 HydrophobicContact CZ-CG 4.46Å; A246-F250 WeakPolarHBondContact O-CB 3.28Å; A246-F250 PolarHBondContact O-N 3.38Å; W247-F250 HydrophobicContact CE3-CD1 4.01Å; W247-F250 HydrophobicContact CH2-CD1 4.43Å; W247-F250 AromaticContact CZ3-CD1 3.57Å; W247-F250 HydrophobicContact CZ3-CD1 3.57Å; W247-F250 HydrophobicContact CZ3-CE1 4.05Å; W247-F250 PolarHBondContact O-N 3.29Å; R248-F250 VanDerWaalsContact C-N 3.32Å; F250-L267 HydrophobicContact CD1-CD1 3.9Å; F250-L267 HydrophobicContact CD1-CG 4.28Å; F250-L267 HydrophobicContact CE1-CD1 3.49Å; F250-L267 VanDerWaalsContact CE1-CD1 3.49Å; F250-L267 HydrophobicContact CE1-CD2 4.4Å; F250-L267 HydrophobicContact CE1-CG 3.85Å; F250-L267 HydrophobicContact CZ-CD1 4.39Å; F250-L267 HydrophobicContact CZ-CG 4.36Å
251	I	85.6	Confident	79.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-75.5	-24.9	178.7	68	-171.7	0	0	0	113.1	W247 S266 L267 R268 V280	W247-I251 HydrophobicContact CD2-CG2 3.81Å; W247-I251 VanDerWaalsContact CE2-CG2 3.43Å; W247-I251 HydrophobicContact CE3-CG2 4.04Å; W247-I251 HydrophobicContact CH2-CG2 3.53Å; W247-I251 HydrophobicContact CZ2-CG2 3.29Å; W247-I251 HydrophobicContact CZ3-CG2 3.91Å; W247-I251 WeakPolarHBondContact O-CG1 3.12Å; W247-I251 WeakPolarHBondContact O-CG2 3.41Å; W247-I251 PolarHBondContact O-N 2.92Å; I251-S266 WeakPolarHBondContact O-CB 3.37Å; I251-L267 HydrophobicContact CG2-CD1 4.24Å; I251-R268 HydrophobicContact CB-CG 4.49Å; I251-R268 WeakPolarHBondContact O-CB 3.41Å; I251-R268 WeakPolarHBondContact O-CD 3.49Å; I251-R268 WeakPolarHBondContact O-CG 3.31Å; I251-R268 PolarHBondContact O-N 2.94Å; I251-V280 HydrophobicContact CG2-CG1 3.93Å
252	G	82.6	Confident	80.7	Confident	5 Å²	5	58.7 Å²	58.7	5%	0.052	29%	0.29	C	S	.	.			trans	85.9	176.6	178	0	0	0	0	0	114.8	R248 R268	R248-G252 PolarHBondContact O-N 3.24Å; R248-G252 VanDerWaalsContact O-N 3.08Å; G252-R268 WeakPolarHBondContact O-CD 3.42Å; G252-R268 PolarHBondContact O-NH1 2.9Å
253	P	82.2	Confident	81.3	Confident	28 Å²	28	58.5 Å²	58.5	18%	0.182	29%	0.285	C	S	.	.			trans	-52.4	150.1	179.3	-25.2	33.1	0	0	0	113.3	D255 E258 A259 R268	P253-D255 VanDerWaalsContact C-N 3.29Å; P253-E258 HydrophobicContact CB-CB 4.17Å; P253-E258 HydrophobicContact CB-CG 4.01Å; P253-E258 HydrophobicContact CG-CG 4.06Å; P253-A259 HydrophobicContact CB-CB 4.32Å; P253-A259 HydrophobicContact CG-CB 4.37Å; P253-R268 WeakPolarHBondContact O-CD 3.49Å
254	A	75.8	Confident	81.4	Confident	63 Å²	63	62.1 Å²	62.1	52%	0.521	31%	0.309	S	S	.	.	S	Bend	trans	-70.2	-30.5	179.9	0	0	0	0	0	112.3	N278	A254-N278 PolarHBondContact O-ND2 3.34Å
255	D	78.3	Confident	81.4	Confident	85 Å²	85	69 Å²	69	46%	0.455	34%	0.341	S	S	.	.	S	Bend	trans	-76.6	127	171.6	-177.1	-92.9	0	0	0	110.4	P253 E257 E258 A259	P253-D255 VanDerWaalsContact C-N 3.29Å; D255-E257 WeakPolarHBondContact OD1-CB 2.92Å; D255-E257 PolarHBondContact OD1-N 2.9Å; D255-E257 VanDerWaalsContact OD1-N 3.1Å; D255-E258 HydrophobicContact CB-CB 3.93Å; D255-E258 WeakPolarHBondContact OD1-CB 3.44Å; D255-E258 PolarHBondContact OD1-N 3.46Å; D255-A259 VanDerWaalsContact O-CB 3.3Å; D255-A259 WeakPolarHBondContact O-CB 3.47Å; D255-A259 PolarHBondContact O-N 3.4Å
256	I	75.6	Confident	81.6	Confident	21 Å²	21	65.7 Å²	65.7	11%	0.108	32%	0.319	C	S	.	.	H	α-helix	trans	-70.8	-37.5	-172.9	-63.1	163.9	0	0	0	110.9	A259 R260	I256-A259 PolarHBondContact O-N 3.12Å; I256-R260 HydrophobicContact CG2-CG 4.37Å; I256-R260 WeakPolarHBondContact O-CB 3.42Å; I256-R260 VanDerWaalsContact O-CG 3.28Å; I256-R260 WeakPolarHBondContact O-CG 3.16Å; I256-R260 PolarHBondContact O-N 2.89Å
257	E	78.1	Confident	81.7	Confident	115 Å²	115	64.5 Å²	64.5	54%	0.537	31%	0.309	S	S	.	.	H	α-helix	trans	-71.7	-39.3	-178.2	-68.2	-62.4	125.1	0	0	111	D255 R260 R261	D255-E257 WeakPolarHBondContact OD1-CB 2.92Å; D255-E257 PolarHBondContact OD1-N 2.9Å; D255-E257 VanDerWaalsContact OD1-N 3.1Å; E257-R260 IonicContact OE1-NH1 3.49Å; E257-R260 PolarHBondContact OE1-NH1 3.47Å; E257-R261 VanDerWaalsContact O-CB 3.27Å; E257-R261 WeakPolarHBondContact O-CB 3.18Å; E257-R261 PolarHBondContact O-N 2.79Å
258	E	80.3	Confident	81.6	Confident	73 Å²	73	64.9 Å²	64.9	34%	0.341	31%	0.311	S	S	.	.	H	α-helix	trans	-62.6	-45.6	169.1	-169.2	-179.1	168.2	0	0	111.2	P253 D255 R260 R261 E262	P253-E258 HydrophobicContact CB-CB 4.17Å; P253-E258 HydrophobicContact CB-CG 4.01Å; P253-E258 HydrophobicContact CG-CG 4.06Å; D255-E258 HydrophobicContact CB-CB 3.93Å; D255-E258 WeakPolarHBondContact OD1-CB 3.44Å; D255-E258 PolarHBondContact OD1-N 3.46Å; E258-R260 PolarHBondContact O-N 2.86Å; E258-R261 PolarHBondContact O-N 3.08Å; E258-E262 HydrophobicContact CG-CG 4.33Å; E258-E262 WeakPolarHBondContact O-CB 3.4Å; E258-E262 PolarHBondContact O-N 3.43Å
259	A	80.9	Confident	81.5	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-45.6	177	0	0	0	0	0	112	P253 D255 I256 R261 K263 R268 A269	P253-A259 HydrophobicContact CB-CB 4.32Å; P253-A259 HydrophobicContact CG-CB 4.37Å; D255-A259 VanDerWaalsContact O-CB 3.3Å; D255-A259 WeakPolarHBondContact O-CB 3.47Å; D255-A259 PolarHBondContact O-N 3.4Å; I256-A259 PolarHBondContact O-N 3.12Å; A259-R261 VanDerWaalsContact C-N 3.34Å; A259-R261 PolarHBondContact O-N 3.02Å; A259-K263 CarbonylContact O-C 3.53Å; A259-K263 WeakPolarHBondContact O-CA 3.14Å; A259-K263 PolarHBondContact O-N 3Å; A259-R268 HydrophobicContact CB-CB 4.39Å; A259-A269 HydrophobicContact CB-CB 4.23Å
260	R	81.4	Confident	81.3	Confident	85 Å²	85	57.8 Å²	57.8	32%	0.321	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-36.5	177	-74.2	172.9	177	179.2	-2.8	112.5	I256 E257 E258 A269 S272 E274	I256-R260 HydrophobicContact CG2-CG 4.37Å; I256-R260 WeakPolarHBondContact O-CB 3.42Å; I256-R260 VanDerWaalsContact O-CG 3.28Å; I256-R260 WeakPolarHBondContact O-CG 3.16Å; I256-R260 PolarHBondContact O-N 2.89Å; E257-R260 IonicContact OE1-NH1 3.49Å; E257-R260 PolarHBondContact OE1-NH1 3.47Å; E258-R260 PolarHBondContact O-N 2.86Å; R260-A269 HydrophobicContact CG-CB 4.29Å; R260-S272 PolarHBondContact NH2-O 3Å; R260-E274 IonicContact CZ-OE1 3.59Å; R260-E274 IonicContact NH1-OE1 3.03Å; R260-E274 PolarHBondContact NH1-OE1 2.98Å; R260-E274 IonicContact NH2-OE1 2.71Å
261	R	81.6	Confident	81	Confident	168 Å²	168	55.7 Å²	55.7	63%	0.634	28%	0.275	S	S	*	.	H	α-helix	trans	-77.3	-44.3	-179.3	-176.7	-179.4	66.1	-119.2	-0.8	112.9	E257 E258 A259	E257-R261 VanDerWaalsContact O-CB 3.27Å; E257-R261 WeakPolarHBondContact O-CB 3.18Å; E257-R261 PolarHBondContact O-N 2.79Å; E258-R261 PolarHBondContact O-N 3.08Å; A259-R261 VanDerWaalsContact C-N 3.34Å; A259-R261 PolarHBondContact O-N 3.02Å
262	E	81.2	Confident	80.4	Confident	109 Å²	109	56 Å²	56	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-100.5	-31.6	-167.6	-60.3	-172.1	-169.7	0	0	113	E258	E258-E262 HydrophobicContact CG-CG 4.33Å; E258-E262 WeakPolarHBondContact O-CB 3.4Å; E258-E262 PolarHBondContact O-N 3.43Å
263	K	81.7	Confident	79.5	Confident	75 Å²	75	59.1 Å²	59.1	33%	0.326	30%	0.295	S	S	.	.			trans	-141.5	69.9	-179.7	-70	-168.7	168.5	-171.7	0	111.3	E249 A259 E265 S266 A269	E249-K263 IonicContact OE1-NZ 2.58Å; E249-K263 PolarHBondContact OE1-NZ 3.06Å; A259-K263 CarbonylContact O-C 3.53Å; A259-K263 WeakPolarHBondContact O-CA 3.14Å; A259-K263 PolarHBondContact O-N 3Å; K263-E265 PolarHBondContact O-N 3.45Å; K263-E265 VanDerWaalsContact O-N 3.1Å; K263-S266 VanDerWaalsContact O-CB 3.25Å; K263-S266 WeakPolarHBondContact O-CB 3.45Å; K263-S266 PolarHBondContact O-N 2.99Å; K263-S266 PolarHBondContact O-OG 2.99Å; K263-A269 WeakPolarHBondContact O-CB 3.24Å
264	P	82.2	Confident	78.2	Confident	76 Å²	76	63.6 Å²	63.6	49%	0.494	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.6	-176.1	24.6	-34.8	0	0	0	114.1	S266 A269	P264-S266 VanDerWaalsContact C-N 3.33Å; P264-A269 WeakPolarHBondContact O-CB 3.2Å
265	E	80.3	Confident	77.1	Confident	151 Å²	151	66.7 Å²	66.7	71%	0.706	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.7	176.9	-61.2	-59.1	155.8	0	0	114.1	K263 Q270	K263-E265 PolarHBondContact O-N 3.45Å; K263-E265 VanDerWaalsContact O-N 3.1Å; E265-Q270 PolarHBondContact O-NE2 3.48Å; E265-Q270 PolarHBondContact OE2-NE2 3.38Å
266	S	86.3	Confident	76.1	Confident	6 Å²	6	67.9 Å²	67.9	4%	0.042	33%	0.332	C	S	.	.	S	Bend	trans	-72.2	153.4	-179.8	66.8	0	0	0	0	112.5	I251 K263 P264 R268 A269 Q270	I251-S266 WeakPolarHBondContact O-CB 3.37Å; K263-S266 VanDerWaalsContact O-CB 3.25Å; K263-S266 WeakPolarHBondContact O-CB 3.45Å; K263-S266 PolarHBondContact O-N 2.99Å; K263-S266 PolarHBondContact O-OG 2.99Å; P264-S266 VanDerWaalsContact C-N 3.33Å; S266-R268 VanDerWaalsContact C-N 3.25Å; S266-R268 PolarHBondContact O-N 3.22Å; S266-A269 PolarHBondContact O-N 3.4Å; S266-A269 VanDerWaalsContact O-N 3.08Å; S266-A269 VanDerWaalsContact OG-CB 3.31Å; S266-A269 WeakPolarHBondContact OG-CB 3.46Å; S266-A269 PolarHBondContact OG-N 3.26Å; S266-Q270 WeakPolarHBondContact O-CG 3.24Å; S266-Q270 PolarHBondContact O-N 2.79Å
267	L	83.1	Confident	75.5	Confident	3 Å²	3	68.2 Å²	68.2	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-58.9	-37	179.5	-68.4	-178.4	0	0	0	112.4	I180 K183 I184 W247 F250 I251 Q270 Y271 V280	I180-L267 HydrophobicContact CG2-CD1 4.04Å; K183-L267 HydrophobicContact CB-CD2 4.15Å; K183-L267 HydrophobicContact CD-CD2 3.94Å; I184-L267 HydrophobicContact CG1-CD1 4.15Å; W247-L267 HydrophobicContact CH2-CD1 4.06Å; W247-L267 HydrophobicContact CZ3-CD1 4.48Å; F250-L267 HydrophobicContact CD1-CD1 3.9Å; F250-L267 HydrophobicContact CD1-CG 4.28Å; F250-L267 HydrophobicContact CE1-CD1 3.49Å; F250-L267 VanDerWaalsContact CE1-CD1 3.49Å; F250-L267 HydrophobicContact CE1-CD2 4.4Å; F250-L267 HydrophobicContact CE1-CG 3.85Å; F250-L267 HydrophobicContact CZ-CD1 4.39Å; F250-L267 HydrophobicContact CZ-CG 4.36Å; I251-L267 HydrophobicContact CG2-CD1 4.24Å; L267-Q270 PolarHBondContact O-N 3.36Å; L267-Y271 HydrophobicContact CB-CD2 4.45Å; L267-Y271 HydrophobicContact CD2-CD2 3.92Å; L267-Y271 HydrophobicContact CD2-CE2 3.66Å; L267-Y271 WeakPolarHBondContact O-CB 3.44Å; L267-Y271 WeakPolarHBondContact O-CD2 3.45Å; L267-Y271 PolarHBondContact O-N 3.44Å; L267-V280 HydrophobicContact CB-CG2 4.32Å
268	R	84.1	Confident	75.3	Confident	9 Å²	9	63.6 Å²	63.6	3%	0.034	31%	0.311	C	S	.	.	H	α-helix	trans	-70.2	-34.1	176.7	-68.1	176.8	175.1	163.6	-5.6	112.6	I251 G252 P253 A259 S266 S272 N278 V280	I251-R268 HydrophobicContact CB-CG 4.49Å; I251-R268 WeakPolarHBondContact O-CB 3.41Å; I251-R268 WeakPolarHBondContact O-CD 3.49Å; I251-R268 WeakPolarHBondContact O-CG 3.31Å; I251-R268 PolarHBondContact O-N 2.94Å; G252-R268 WeakPolarHBondContact O-CD 3.42Å; G252-R268 PolarHBondContact O-NH1 2.9Å; P253-R268 WeakPolarHBondContact O-CD 3.49Å; A259-R268 HydrophobicContact CB-CB 4.39Å; S266-R268 VanDerWaalsContact C-N 3.25Å; S266-R268 PolarHBondContact O-N 3.22Å; R268-S272 WeakPolarHBondContact O-CB 3.23Å; R268-S272 PolarHBondContact O-N 3.02Å; R268-S272 PolarHBondContact O-OG 2.9Å; R268-N278 HydrophobicContact CG-CB 3.98Å; R268-V280 PolarHBondContact NE-O 2.62Å; R268-V280 PolarHBondContact NH2-O 3.04Å
269	A	81.4	Confident	74.7	Confident	13 Å²	13	60.1 Å²	60.1	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	-70	-37.7	175	0	0	0	0	0	112.5	A259 R260 K263 P264 S266	A259-A269 HydrophobicContact CB-CB 4.23Å; R260-A269 HydrophobicContact CG-CB 4.29Å; K263-A269 WeakPolarHBondContact O-CB 3.24Å; P264-A269 WeakPolarHBondContact O-CB 3.2Å; S266-A269 PolarHBondContact O-N 3.4Å; S266-A269 VanDerWaalsContact O-N 3.08Å; S266-A269 VanDerWaalsContact OG-CB 3.31Å; S266-A269 WeakPolarHBondContact OG-CB 3.46Å; S266-A269 PolarHBondContact OG-N 3.26Å
270	Q	80.5	Confident	74.6	Confident	69 Å²	69	60.1 Å²	60.1	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-83.7	-33.8	-173.4	-69.4	179.1	-9.4	0	0	114.4	E265 S266 L267	E265-Q270 PolarHBondContact O-NE2 3.48Å; E265-Q270 PolarHBondContact OE2-NE2 3.38Å; S266-Q270 WeakPolarHBondContact O-CG 3.24Å; S266-Q270 PolarHBondContact O-N 2.79Å; L267-Q270 PolarHBondContact O-N 3.36Å
271	Y	78.4	Confident	74.6	Confident	16 Å²	16	56.8 Å²	56.8	6%	0.063	28%	0.283	C	S	.	.	H	α-helix	trans	-114.3	-3.7	-169	-63	-75.5	0	0	0	114.8	K176 E179 I180 K183 L267	K176-Y271 HydrophobicContact CB-CD1 4Å; K176-Y271 HydrophobicContact CB-CE1 4.42Å; K176-Y271 HydrophobicContact CD-CD1 4.34Å; K176-Y271 HydrophobicContact CD-CE1 4.29Å; K176-Y271 HydrophobicContact CG-CD1 4.12Å; E179-Y271 HydrophobicContact CG-CE1 4.3Å; E179-Y271 WeakPolarHBondContact CG-OH 3.47Å; E179-Y271 WeakPolarHBondContact OE1-CE1 3.44Å; E179-Y271 PolarHBondContact OE1-OH 3.37Å; I180-Y271 HydrophobicContact CD1-CD1 4.26Å; I180-Y271 HydrophobicContact CD1-CD2 4.28Å; I180-Y271 HydrophobicContact CD1-CG 3.93Å; I180-Y271 HydrophobicContact CG1-CD1 4.09Å; I180-Y271 HydrophobicContact CG1-CD2 3.81Å; I180-Y271 HydrophobicContact CG1-CE1 4.28Å; I180-Y271 HydrophobicContact CG1-CE2 4.02Å; I180-Y271 HydrophobicContact CG1-CG 3.86Å; K183-Y271 HydrophobicContact CD-CE2 3.95Å; K183-Y271 WeakPolarHBondContact CD-OH 3.45Å; K183-Y271 WeakPolarHBondContact CE-OH 3.11Å; K183-Y271 PolarHBondContact NZ-OH 2.99Å; L267-Y271 HydrophobicContact CB-CD2 4.45Å; L267-Y271 HydrophobicContact CD2-CD2 3.92Å; L267-Y271 HydrophobicContact CD2-CE2 3.66Å; L267-Y271 WeakPolarHBondContact O-CB 3.44Å; L267-Y271 WeakPolarHBondContact O-CD2 3.45Å; L267-Y271 PolarHBondContact O-N 3.44Å
272	S	71.6	Confident	74.4	Confident	7 Å²	7	49 Å²	49	5%	0.049	26%	0.255	C	S	.	.			trans	-78.6	127.2	174.6	-77.8	0	0	0	0	112.2	R260 R268 N278 A279	R260-S272 PolarHBondContact NH2-O 3Å; R268-S272 WeakPolarHBondContact O-CB 3.23Å; R268-S272 PolarHBondContact O-N 3.02Å; R268-S272 PolarHBondContact O-OG 2.9Å; S272-N278 WeakPolarHBondContact OG-CA 3.33Å; S272-A279 PolarHBondContact OG-N 3.38Å
273	T	63.8	Low	74.3	Confident	69 Å²	69	43.8 Å²	43.8	42%	0.423	23%	0.23	S	C	.	.			trans	-95.3	-10.7	-169.5	53.4	0	0	0	0	115.2	D170	D170-T273 PolarHBondContact OD2-OG1 2.87Å
274	E	56.5	Low	73.7	Confident	123 Å²	123	42.5 Å²	42.5	58%	0.575	23%	0.234	S	C	*	.	S	Bend	trans	99.9	117.1	-179.7	-60.7	177.4	-178	0	0	116	R260	R260-E274 IonicContact CZ-OE1 3.59Å; R260-E274 IonicContact NH1-OE1 3.03Å; R260-E274 PolarHBondContact NH1-OE1 2.98Å; R260-E274 IonicContact NH2-OE1 2.71Å
275	T	50.9	Low	73.3	Confident	127 Å²	127	42.3 Å²	42.3	78%	0.779	23%	0.229	S	C	*	.	S	Bend		174.5	-25	107.3	30.1	0	0	0	0	113.9
276	L	57.6	Low	72.7	Confident	110 Å²	110	38.1 Å²	38.1	58%	0.576	22%	0.216	S	C	*	.	S	Bend	trans	-144.2	-22.4	175.5	-74.7	166.3	0	0	0	114.1
277	F	64.2	Low	71.7	Confident	28 Å²	28	43.2 Å²	43.2	12%	0.123	24%	0.243	C	C	.	.			trans	-129.8	137.3	-170	-54	-59.7	0	0	0	112.4	C216 D219 L220 F223	C216-F277 HydrophobicContact CB-CZ 4.39Å; D219-F277 HydrophobicContact CB-CE2 4.19Å; D219-F277 HydrophobicContact CB-CZ 4.03Å; L220-F277 HydrophobicContact CB-CD1 4.45Å; L220-F277 HydrophobicContact CB-CE1 3.62Å; L220-F277 HydrophobicContact CB-CE2 4.38Å; L220-F277 HydrophobicContact CB-CZ 3.58Å; L220-F277 HydrophobicContact CD1-CD1 3.62Å; L220-F277 HydrophobicContact CD1-CE1 3.68Å; L220-F277 HydrophobicContact CD1-CG 4.1Å; L220-F277 HydrophobicContact CD1-CZ 4.19Å; L220-F277 HydrophobicContact CG-CE1 4.15Å; L220-F277 HydrophobicContact CG-CZ 4.48Å; L220-F277 VanDerWaalsContact N-CZ 3.34Å; F223-F277 HydrophobicContact CB-CD2 3.93Å; F223-F277 HydrophobicContact CB-CE2 3.96Å; F223-F277 HydrophobicContact CD1-CB 4.2Å; F223-F277 AromaticContact CD1-CD2 3.79Å; F223-F277 HydrophobicContact CD1-CD2 3.79Å; F223-F277 HydrophobicContact CD1-CG 4.18Å; F223-F277 HydrophobicContact CD2-CD2 4.16Å; F223-F277 HydrophobicContact CE1-CB 3.97Å; F223-F277 HydrophobicContact CE1-CD2 4.32Å; F223-F277 HydrophobicContact CE1-CG 4.46Å; F223-F277 AromaticContact CG-CD2 3.68Å; F223-F277 HydrophobicContact CG-CD2 3.68Å; F223-F277 HydrophobicContact CG-CE2 4.23Å; F223-F277 HydrophobicContact CZ-CB 4.39Å
278	N	74.2	Confident	71.2	Confident	19 Å²	19	44.1 Å²	44.1	10%	0.102	25%	0.247	C	C	.	.			trans	-71.3	156.4	174.8	55.1	43.2	0	0	0	112.3	K168 A254 R268 S272 V280	K168-N278 WeakPolarHBondContact CD-O 3.2Å; K168-N278 WeakPolarHBondContact CE-O 3.18Å; K168-N278 WeakPolarHBondContact CE-OD1 3.44Å; K168-N278 PolarHBondContact NZ-O 3.15Å; K168-N278 PolarHBondContact NZ-OD1 2.61Å; A254-N278 PolarHBondContact O-ND2 3.34Å; R268-N278 HydrophobicContact CG-CB 3.98Å; S272-N278 WeakPolarHBondContact OG-CA 3.33Å; N278-V280 VanDerWaalsContact C-N 3.35Å; N278-V280 PolarHBondContact O-N 3.25Å; N278-V280 PolarHBondContact OD1-O 2.94Å
279	A	67.1	Low	70.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	-73.7	-23.4	-174.8	0	0	0	0	0	114.2	K168 A171 S272	K168-A279 PolarHBondContact N-O 3.43Å; A171-A279 HydrophobicContact CB-CB 4.21Å; S272-A279 PolarHBondContact OG-N 3.38Å
280	V	78.6	Confident	69.9	Low	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	125.9	-173.6	-175.2	0	0	0	0	110.7	I166 I180 W247 I251 L267 R268 N278	I166-V280 CarbonylContact O-C 3.39Å; I166-V280 WeakPolarHBondContact O-CA 3.41Å; I180-V280 HydrophobicContact CD1-CG2 4.45Å; I180-V280 HydrophobicContact CG2-CG2 4.22Å; W247-V280 HydrophobicContact CH2-CG1 4.22Å; W247-V280 HydrophobicContact CZ2-CG1 3.62Å; I251-V280 HydrophobicContact CG2-CG1 3.93Å; L267-V280 HydrophobicContact CB-CG2 4.32Å; R268-V280 PolarHBondContact NE-O 2.62Å; R268-V280 PolarHBondContact NH2-O 3.04Å; N278-V280 VanDerWaalsContact C-N 3.35Å; N278-V280 PolarHBondContact O-N 3.25Å; N278-V280 PolarHBondContact OD1-O 2.94Å
281	H	82.2	Confident	69.4	Low	15 Å²	15	49 Å²	49	7%	0.069	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	148.4	171.1	-175.1	64.8	0	0	0	111.2	I166 E292	I166-H281 HydrophobicContact CB-CB 3.8Å; I166-H281 HydrophobicContact CD1-CB 4.28Å; I166-H281 HydrophobicContact CG1-CB 4.15Å; I166-H281 PolarHBondContact N-O 2.97Å; I166-H281 PolarHBondContact O-N 2.93Å; H281-E292 IonicContact CD2-OE1 3.23Å; H281-E292 IonicContact CD2-OE2 2.67Å; H281-E292 IonicContact CE1-OE1 3.67Å; H281-E292 IonicContact NE2-OE1 3.45Å; H281-E292 PolarHBondContact NE2-OE1 3.39Å; H281-E292 IonicContact NE2-OE2 3.96Å; H281-E292 PolarHBondContact NE2-OE2 3.02Å
282	G	76.7	Confident	69.3	Low	3 Å²	3	48.5 Å²	48.5	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	132.1	171.8	0	0	0	0	0	109.6
283	S	78.2	Confident	69.4	Low	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.265	C	S	.	.			trans	-55.2	145.6	-178.3	-38.6	0	0	0	0	111	T163 V164 I244 R248 E292	T163-S283 PolarHBondContact OG1-OG 2.88Å; V164-S283 PolarHBondContact O-OG 3.01Å; I244-S283 WeakPolarHBondContact CG2-O 3.42Å; R248-S283 WeakPolarHBondContact CD-O 3.35Å; R248-S283 PolarHBondContact NH1-O 2.78Å; S283-E292 PolarHBondContact OG-OE2 3.33Å
284	A	70.8	Confident	69.5	Low	49 Å²	49	48.3 Å²	48.3	41%	0.405	27%	0.269	S	S	.	.	S	Bend	trans	-82	-33.7	-177.8	0	0	0	0	0	112.4
285	D	72.3	Confident	70.3	Confident	71 Å²	71	45.6 Å²	45.6	38%	0.38	26%	0.255	S	S	.	.	S	Bend	trans	-154.3	173.4	-176.3	56.4	60.5	0	0	0	110.6	D287 Q288 A289	D285-D287 VanDerWaalsContact C-N 3.29Å; D285-D287 PolarHBondContact O-N 3.29Å; D285-D287 PolarHBondContact OD1-N 3.02Å; D285-D287 VanDerWaalsContact OD1-N 3.08Å; D285-Q288 PolarHBondContact O-N 2.74Å; D285-Q288 WeakPolarHBondContact OD1-CB 3.41Å; D285-Q288 PolarHBondContact OD1-N 2.65Å; D285-A289 PolarHBondContact O-N 3.39Å
286	S	68.1	Low	71.3	Confident	64 Å²	64	39.7 Å²	39.7	45%	0.448	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-33.5	-176.6	-164.7	0	0	0	0	112.6	I244 A289 S290	I244-S286 VanDerWaalsContact CD1-CA 3.47Å; I244-S286 VanDerWaalsContact CD1-N 3.34Å; S286-A289 PolarHBondContact O-N 2.8Å; S286-S290 PolarHBondContact O-N 2.8Å; S286-S290 PolarHBondContact O-OG 2.97Å
287	D	66.3	Low	71.9	Confident	112 Å²	112	35.9 Å²	35.9	60%	0.599	20%	0.198	S	C	*	.	H	α-helix	trans	-72.2	-39.5	-178.2	-59.7	-27.3	0	0	0	110.2	D285 S290 R291	D285-D287 VanDerWaalsContact C-N 3.29Å; D285-D287 PolarHBondContact O-N 3.29Å; D285-D287 PolarHBondContact OD1-N 3.02Å; D285-D287 VanDerWaalsContact OD1-N 3.08Å; D287-S290 PolarHBondContact O-N 3.46Å; D287-R291 WeakPolarHBondContact O-CG 3.16Å; D287-R291 PolarHBondContact O-N 2.93Å; D287-R291 PolarHBondContact O-NH1 2.95Å
288	Q	72.2	Confident	71.7	Confident	22 Å²	22	39 Å²	39	10%	0.103	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-45.4	171.3	-177.8	170.7	76.9	0	0	110.8	D285 S290 R291 E292	D285-Q288 PolarHBondContact O-N 2.74Å; D285-Q288 WeakPolarHBondContact OD1-CB 3.41Å; D285-Q288 PolarHBondContact OD1-N 2.65Å; Q288-S290 VanDerWaalsContact C-N 3.29Å; Q288-S290 PolarHBondContact O-N 2.69Å; Q288-R291 PolarHBondContact O-N 2.95Å; Q288-E292 HydrophobicContact CG-CG 4.04Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.43Å; Q288-E292 WeakPolarHBondContact O-CB 3.3Å; Q288-E292 WeakPolarHBondContact O-CG 3.4Å; Q288-E292 PolarHBondContact O-N 2.97Å
289	A	70.9	Confident	70.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-42.1	176.6	0	0	0	0	0	112	I244 D285 S286 L293	I244-A289 HydrophobicContact CD1-CB 4.09Å; D285-A289 PolarHBondContact O-N 3.39Å; S286-A289 PolarHBondContact O-N 2.8Å; A289-L293 WeakPolarHBondContact O-CB 3.3Å; A289-L293 PolarHBondContact O-N 2.89Å
290	S	68.1	Low	70.2	Confident	44 Å²	44	41.6 Å²	41.6	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-66.5	-41.6	177	-66.1	0	0	0	0	113.2	Y162 S286 D287 Q288 L293 A294	Y162-S290 PolarHBondContact OH-OG 2.82Å; S286-S290 PolarHBondContact O-N 2.8Å; S286-S290 PolarHBondContact O-OG 2.97Å; D287-S290 PolarHBondContact O-N 3.46Å; Q288-S290 VanDerWaalsContact C-N 3.29Å; Q288-S290 PolarHBondContact O-N 2.69Å; S290-L293 PolarHBondContact O-N 3.22Å; S290-A294 WeakPolarHBondContact O-CB 3.39Å; S290-A294 PolarHBondContact O-N 3.21Å
291	R	68.1	Low	68.8	Low	149 Å²	149	48.4 Å²	48.4	56%	0.562	26%	0.26	S	S	*	.	H	α-helix	trans	-65.5	-44.2	175.8	-71.9	-170.8	-57.4	-83.3	0.6	112.1	D287 Q288 L293 A294 F295	D287-R291 WeakPolarHBondContact O-CG 3.16Å; D287-R291 PolarHBondContact O-N 2.93Å; D287-R291 PolarHBondContact O-NH1 2.95Å; Q288-R291 PolarHBondContact O-N 2.95Å; R291-L293 VanDerWaalsContact C-N 3.31Å; R291-A294 PolarHBondContact O-N 3.2Å; R291-F295 WeakPolarHBondContact O-CB 3.39Å; R291-F295 PolarHBondContact O-N 3.03Å
292	E	76.4	Confident	67.1	Low	7 Å²	7	48.1 Å²	48.1	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-38.4	178.3	-66	177.8	171.5	0	0	111.1	V164 F207 H281 S283 Q288 F295 F296	V164-E292 HydrophobicContact CB-CB 4.09Å; V164-E292 HydrophobicContact CG1-CB 4.4Å; V164-E292 HydrophobicContact CG2-CB 3.95Å; F207-E292 HydrophobicContact CE2-CB 3.84Å; F207-E292 HydrophobicContact CE2-CG 3.55Å; F207-E292 HydrophobicContact CZ-CB 4.1Å; F207-E292 HydrophobicContact CZ-CG 3.54Å; H281-E292 IonicContact CD2-OE1 3.23Å; H281-E292 IonicContact CD2-OE2 2.67Å; H281-E292 IonicContact CE1-OE1 3.67Å; H281-E292 IonicContact NE2-OE1 3.45Å; H281-E292 PolarHBondContact NE2-OE1 3.39Å; H281-E292 IonicContact NE2-OE2 3.96Å; H281-E292 PolarHBondContact NE2-OE2 3.02Å; S283-E292 PolarHBondContact OG-OE2 3.33Å; Q288-E292 HydrophobicContact CG-CG 4.04Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.43Å; Q288-E292 WeakPolarHBondContact O-CB 3.3Å; Q288-E292 WeakPolarHBondContact O-CG 3.4Å; Q288-E292 PolarHBondContact O-N 2.97Å; E292-F295 PolarHBondContact O-N 3.47Å; E292-F296 WeakPolarHBondContact O-CD2 3.41Å; E292-F296 PolarHBondContact O-N 3.46Å; E292-F296 VanDerWaalsContact O-N 3.12Å
293	L	74.6	Confident	65.5	Low	9 Å²	9	49 Å²	49	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-47.1	175.2	-176.6	73	0	0	0	111.3	Y162 V164 V233 A289 S290 R291 F295 F296 F297 F300	Y162-L293 HydrophobicContact CD2-CD2 3.84Å; Y162-L293 HydrophobicContact CE2-CD2 3.47Å; Y162-L293 VanDerWaalsContact CE2-CD2 3.47Å; V164-L293 HydrophobicContact CG2-CB 3.99Å; V164-L293 HydrophobicContact CG2-CD1 4.31Å; V233-L293 HydrophobicContact CB-CD1 4.5Å; V233-L293 HydrophobicContact CG1-CD1 4.03Å; V233-L293 HydrophobicContact CG2-CD1 3.6Å; A289-L293 WeakPolarHBondContact O-CB 3.3Å; A289-L293 PolarHBondContact O-N 2.89Å; S290-L293 PolarHBondContact O-N 3.22Å; R291-L293 VanDerWaalsContact C-N 3.31Å; L293-F295 PolarHBondContact O-N 2.77Å; L293-F296 PolarHBondContact O-N 3.29Å; L293-F297 HydrophobicContact CD1-CB 4.31Å; L293-F297 HydrophobicContact CD1-CD2 4.09Å; L293-F297 CarbonylContact O-C 2.98Å; L293-F297 VanDerWaalsContact O-C 3.24Å; L293-F297 VanDerWaalsContact O-CA 3.3Å; L293-F297 WeakPolarHBondContact O-CA 3.34Å; L293-F297 PolarHBondContact O-N 3.17Å; L293-F300 HydrophobicContact CD1-CB 4.04Å; L293-F300 HydrophobicContact CD1-CD1 3.8Å; L293-F300 HydrophobicContact CD1-CD2 4.11Å; L293-F300 HydrophobicContact CD1-CE1 4.18Å; L293-F300 HydrophobicContact CD1-CG 3.73Å; L293-F300 HydrophobicContact CD2-CB 4.25Å; L293-F300 HydrophobicContact CD2-CD1 3.35Å; L293-F300 HydrophobicContact CD2-CE1 3.86Å; L293-F300 HydrophobicContact CD2-CG 4.01Å; L293-F300 HydrophobicContact CG-CB 4.1Å; L293-F300 HydrophobicContact CG-CD1 3.97Å; L293-F300 HydrophobicContact CG-CG 4.12Å
294	A	66.4	Low	63.5	Low	62 Å²	62	51.8 Å²	51.8	51%	0.512	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-32.2	177.2	0	0	0	0	0	112.5	S290 R291 P298	S290-A294 WeakPolarHBondContact O-CB 3.39Å; S290-A294 PolarHBondContact O-N 3.21Å; R291-A294 PolarHBondContact O-N 3.2Å; A294-P298 WeakPolarHBondContact O-CA 3.36Å
295	F	72.4	Confident	61.9	Low	66 Å²	66	53.9 Å²	53.9	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-70.3	-45.5	178.1	-176.1	-89.7	0	0	0	112.6	E203 D206 F207 R291 E292 L293	E203-F295 HydrophobicContact CB-CZ 4.07Å; E203-F295 WeakPolarHBondContact O-CZ 3.22Å; D206-F295 HydrophobicContact CB-CE2 4.39Å; F207-F295 HydrophobicContact CB-CD1 4.48Å; F207-F295 HydrophobicContact CB-CE1 4.01Å; F207-F295 HydrophobicContact CB-CE2 4.4Å; F207-F295 HydrophobicContact CB-CZ 3.96Å; F207-F295 HydrophobicContact CD2-CB 4.37Å; F207-F295 AromaticContact CD2-CD1 3.51Å; F207-F295 HydrophobicContact CD2-CD1 3.51Å; F207-F295 HydrophobicContact CD2-CD2 4.49Å; F207-F295 AromaticContact CD2-CE1 3.85Å; F207-F295 HydrophobicContact CD2-CE1 3.85Å; F207-F295 AromaticContact CD2-CG 3.88Å; F207-F295 HydrophobicContact CD2-CG 3.88Å; F207-F295 HydrophobicContact CD2-CZ 4.46Å; F207-F295 HydrophobicContact CE2-CD1 4.21Å; F207-F295 HydrophobicContact CG-CD1 4.38Å; F207-F295 HydrophobicContact CG-CE1 4.28Å; R291-F295 WeakPolarHBondContact O-CB 3.39Å; R291-F295 PolarHBondContact O-N 3.03Å; E292-F295 PolarHBondContact O-N 3.47Å; L293-F295 PolarHBondContact O-N 2.77Å
296	F	72.3	Confident	60.4	Low	4 Å²	4	53.6 Å²	53.6	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-90.7	-32.7	-177.6	-65.2	-58.7	0	0	0	113.9	V164 I166 L199 F207 I231 E292 L293	V164-F296 HydrophobicContact CG1-CD2 4.24Å; I166-F296 HydrophobicContact CD1-CE2 3.7Å; I166-F296 HydrophobicContact CD1-CZ 3.98Å; I166-F296 HydrophobicContact CG1-CE2 4.4Å; L199-F296 HydrophobicContact CD1-CE1 4.36Å; L199-F296 HydrophobicContact CD1-CZ 4.43Å; L199-F296 HydrophobicContact CD2-CE1 3.72Å; F207-F296 HydrophobicContact CD1-CZ 4.44Å; F207-F296 HydrophobicContact CD2-CE1 4.47Å; F207-F296 AromaticContact CD2-CE2 3.73Å; F207-F296 HydrophobicContact CD2-CE2 3.73Å; F207-F296 AromaticContact CD2-CZ 3.6Å; F207-F296 HydrophobicContact CD2-CZ 3.6Å; F207-F296 HydrophobicContact CE1-CE2 4.33Å; F207-F296 HydrophobicContact CE1-CZ 4.31Å; F207-F296 AromaticContact CE2-CD2 3.99Å; F207-F296 HydrophobicContact CE2-CD2 3.99Å; F207-F296 AromaticContact CE2-CE2 3.07Å; F207-F296 HydrophobicContact CE2-CE2 3.07Å; F207-F296 AromaticContact CE2-CZ 3.43Å; F207-F296 HydrophobicContact CE2-CZ 3.43Å; F207-F296 VanDerWaalsContact CE2-CZ 3.43Å; F207-F296 HydrophobicContact CG-CZ 4.11Å; F207-F296 AromaticContact CZ-CE2 3.44Å; F207-F296 HydrophobicContact CZ-CE2 3.44Å; F207-F296 VanDerWaalsContact CZ-CE2 3.44Å; F207-F296 AromaticContact CZ-CZ 3.82Å; F207-F296 HydrophobicContact CZ-CZ 3.82Å; I231-F296 HydrophobicContact CD1-CB 4.36Å; I231-F296 HydrophobicContact CD1-CD1 3.38Å; I231-F296 HydrophobicContact CD1-CD2 4.45Å; I231-F296 HydrophobicContact CD1-CE1 3.68Å; I231-F296 HydrophobicContact CD1-CG 3.83Å; I231-F296 HydrophobicContact CD1-CZ 4.32Å; I231-F296 HydrophobicContact CG1-CD1 4.36Å; I231-F296 HydrophobicContact CG1-CE1 4.45Å; I231-F296 HydrophobicContact CG1-CG 4.49Å; I231-F296 HydrophobicContact CG2-CB 4.05Å; I231-F296 HydrophobicContact CG2-CD2 3.8Å; I231-F296 HydrophobicContact CG2-CE2 4.37Å; I231-F296 HydrophobicContact CG2-CG 3.9Å; E292-F296 WeakPolarHBondContact O-CD2 3.41Å; E292-F296 PolarHBondContact O-N 3.46Å; E292-F296 VanDerWaalsContact O-N 3.12Å; L293-F296 PolarHBondContact O-N 3.29Å
297	F	70.4	Confident	58.9	Low	29 Å²	29	58.5 Å²	58.5	13%	0.127	31%	0.313	C	S	.	.			trans	-131	69.4	-177.3	-54.8	-84.2	0	0	0	110.2	A193 E195 I231 V233 L293 N299 F300	A193-F297 HydrophobicContact CB-CD1 4.42Å; A193-F297 HydrophobicContact CB-CE1 4.02Å; A193-F297 HydrophobicContact CB-CZ 4.23Å; E195-F297 HydrophobicContact CB-CE1 4.02Å; E195-F297 HydrophobicContact CB-CZ 4.02Å; I231-F297 HydrophobicContact CB-CE2 4.47Å; I231-F297 HydrophobicContact CB-CZ 4.45Å; I231-F297 HydrophobicContact CG2-CE2 3.63Å; I231-F297 HydrophobicContact CG2-CZ 4.08Å; V233-F297 HydrophobicContact CG2-CD2 3.61Å; V233-F297 HydrophobicContact CG2-CE2 3.46Å; V233-F297 VanDerWaalsContact CG2-CE2 3.46Å; V233-F297 HydrophobicContact CG2-CG 4.37Å; V233-F297 HydrophobicContact CG2-CZ 4.13Å; L293-F297 HydrophobicContact CD1-CB 4.31Å; L293-F297 HydrophobicContact CD1-CD2 4.09Å; L293-F297 CarbonylContact O-C 2.98Å; L293-F297 VanDerWaalsContact O-C 3.24Å; L293-F297 VanDerWaalsContact O-CA 3.3Å; L293-F297 WeakPolarHBondContact O-CA 3.34Å; L293-F297 PolarHBondContact O-N 3.17Å; F297-N299 PolarHBondContact O-N 3.05Å; F297-F300 HydrophobicContact CB-CB 3.73Å; F297-F300 VanDerWaalsContact O-CB 3.3Å; F297-F300 WeakPolarHBondContact O-CB 3.12Å; F297-F300 PolarHBondContact O-N 3.31Å
298	P	58.7	Low	57.6	Low	94 Å²	94	61.8 Å²	61.8	61%	0.61	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.4	179.2	22.3	-32.8	0	0	0	113.7	A294	A294-P298 WeakPolarHBondContact O-CA 3.36Å
299	N	52.5	Low	55.8	Low	52 Å²	52	66.9 Å²	66.9	28%	0.278	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	6.7	176.9	-68.5	-62.2	0	0	0	114.7	E151 F297	E151-N299 HydrophobicContact CB-CB 4.46Å; E151-N299 HydrophobicContact CG-CB 4.42Å; E151-N299 PolarHBondContact OE1-ND2 3.09Å; E151-N299 VanDerWaalsContact OE2-CG 3.29Å; E151-N299 PolarHBondContact OE2-ND2 2.78Å; F297-N299 PolarHBondContact O-N 3.05Å
300	F	57.5	Low	54	Low	22 Å²	22	69.9 Å²	69.9	10%	0.096	38%	0.384	C	S	.	.			trans	-81.6	126.3	174.7	-162.1	-81.9	0	0	0	110.7	V154 V156 L192 A193 V233 L293 F297	V154-F300 HydrophobicContact CB-CD2 4.24Å; V154-F300 HydrophobicContact CB-CE2 4.12Å; V154-F300 HydrophobicContact CG1-CE2 4.14Å; V156-F300 HydrophobicContact CG2-CE1 3.9Å; V156-F300 HydrophobicContact CG2-CE2 4.35Å; V156-F300 HydrophobicContact CG2-CZ 3.56Å; L192-F300 HydrophobicContact CB-CE2 4.33Å; L192-F300 HydrophobicContact CB-CZ 4.36Å; L192-F300 HydrophobicContact CD1-CZ 4.04Å; A193-F300 HydrophobicContact CB-CE2 4.35Å; V233-F300 HydrophobicContact CB-CE2 4.09Å; V233-F300 HydrophobicContact CB-CZ 4.36Å; V233-F300 HydrophobicContact CG1-CE1 4.23Å; V233-F300 HydrophobicContact CG1-CE2 3.71Å; V233-F300 HydrophobicContact CG1-CZ 3.49Å; V233-F300 VanDerWaalsContact CG1-CZ 3.49Å; V233-F300 HydrophobicContact CG2-CD2 4.42Å; V233-F300 HydrophobicContact CG2-CE2 4.16Å; L293-F300 HydrophobicContact CD1-CB 4.04Å; L293-F300 HydrophobicContact CD1-CD1 3.8Å; L293-F300 HydrophobicContact CD1-CD2 4.11Å; L293-F300 HydrophobicContact CD1-CE1 4.18Å; L293-F300 HydrophobicContact CD1-CG 3.73Å; L293-F300 HydrophobicContact CD2-CB 4.25Å; L293-F300 HydrophobicContact CD2-CD1 3.35Å; L293-F300 HydrophobicContact CD2-CE1 3.86Å; L293-F300 HydrophobicContact CD2-CG 4.01Å; L293-F300 HydrophobicContact CG-CB 4.1Å; L293-F300 HydrophobicContact CG-CD1 3.97Å; L293-F300 HydrophobicContact CG-CG 4.12Å; F297-F300 HydrophobicContact CB-CB 3.73Å; F297-F300 VanDerWaalsContact O-CB 3.3Å; F297-F300 WeakPolarHBondContact O-CB 3.12Å; F297-F300 PolarHBondContact O-N 3.31Å
301	R	50.3	Low	52.5	Low	142 Å²	142	77.3 Å²	77.3	54%	0.536	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.8	-174.7	-63.9	-173.2	179.3	-160.4	-4.4	112.1
302	T	46.4	Very low	51.1	Low	10 Å²	10	78.7 Å²	78.7	6%	0.061	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146	171.1	75.3	0	0	0	0	110	Y162 S304 D305 A306	Y162-T302 HydrophobicContact CD1-CG2 4.13Å; Y162-T302 HydrophobicContact CE1-CG2 3.23Å; Y162-T302 WeakPolarHBondContact OH-CG2 3.43Å; T302-S304 PolarHBondContact O-N 3.39Å; T302-S304 VanDerWaalsContact O-N 3.15Å; T302-S304 PolarHBondContact OG1-OG 3.04Å; T302-D305 PolarHBondContact N-OD2 2.89Å; T302-D305 WeakPolarHBondContact O-CB 3.45Å; T302-D305 PolarHBondContact O-N 3.39Å; T302-D305 PolarHBondContact OG1-N 3Å; T302-D305 PolarHBondContact OG1-OD2 3.36Å; T302-A306 PolarHBondContact O-N 3.31Å
303	A	42.1	Very low	49.4	Very low	22 Å²	22	84.5 Å²	84.5	18%	0.182	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-13.5	179.9	0	0	0	0	0	113.8	V156 A158 A306	V156-A303 WeakPolarHBondContact O-CB 3.43Å; V156-A303 PolarHBondContact O-N 2.91Å; A158-A303 HydrophobicContact CB-CB 4Å; A303-A306 PolarHBondContact O-N 3.44Å
304	S	37	Very low	48.3	Very low	58 Å²	58	94.1 Å²	94.1	41%	0.406	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-30.1	170	40.9	0	0	0	0	112.6	T302 A306 E307	T302-S304 PolarHBondContact O-N 3.39Å; T302-S304 VanDerWaalsContact O-N 3.15Å; T302-S304 PolarHBondContact OG1-OG 3.04Å; S304-A306 PolarHBondContact O-N 3.38Å; S304-E307 PolarHBondContact O-N 3.28Å
305	D	37.2	Very low	48.2	Very low	92 Å²	92	94.9 Å²	94.9	49%	0.492	49%	0.488	S	S	.	.	H	α-helix	trans	-72.1	-22.5	171.8	-55.1	-39.3	0	0	0	111.2	T302	T302-D305 PolarHBondContact N-OD2 2.89Å; T302-D305 WeakPolarHBondContact O-CB 3.45Å; T302-D305 PolarHBondContact O-N 3.39Å; T302-D305 PolarHBondContact OG1-N 3Å; T302-D305 PolarHBondContact OG1-OD2 3.36Å
306	A	40.4	Very low	48.7	Very low	66 Å²	66	94.6 Å²	94.6	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-81.5	-9.8	175.3	0	0	0	0	0	114.1	T302 A303 S304	T302-A306 PolarHBondContact O-N 3.31Å; A303-A306 PolarHBondContact O-N 3.44Å; S304-A306 PolarHBondContact O-N 3.38Å
307	E	37.1	Very low	49.5	Very low	166 Å²	166	99.3 Å²	99.3	78%	0.776	51%	0.505	S	S	*	.	H	α-helix	trans	-105.2	-14.6	-179.4	-73.3	-175.3	177.5	0	0	113.7	S304	S304-E307 PolarHBondContact O-N 3.28Å
308	Q	39.4	Very low	50.6	Low	182 Å²	182	98 Å²	98	85%	0.85	50%	0.499	S	S	*	.	H	α-helix	trans	-90.7	-27.4	172.5	-81.9	-171.6	-3	0	0	113.7
309	D	33.8	Very low	52.4	Low	128 Å²	128	93.5 Å²	93.5	68%	0.684	47%	0.47	S	S	*	.	S	Bend	trans	-91.5	108	163.6	-74.5	-24.9	0	0	0	107.5	E311	D309-E311 PolarHBondContact O-N 2.71Å
310	G	33.3	Very low	54.4	Low	63 Å²	63	91 Å²	91	65%	0.649	46%	0.457	S	S	*	.			trans	-49.6	143.4	173.3	0	0	0	0	0	110.5	E312	G310-E312 VanDerWaalsContact C-N 3.35Å; G310-E312 PolarHBondContact O-N 3.48Å
311	E	36.3	Very low	56.1	Low	200 Å²	200	90 Å²	90	94%	0.935	45%	0.452	S	S	*	.			trans	-39.7	90.6	177.6	-67.9	179.5	150.9	0	0	113	D309	D309-E311 PolarHBondContact O-N 2.71Å
312	E	37.5	Very low	58.2	Low	178 Å²	178	83.2 Å²	83.2	83%	0.832	43%	0.427	S	S	*	.			trans	-100.2	92.4	153.5	-82.6	-166.5	164.6	0	0	106.6	G310 R314	G310-E312 VanDerWaalsContact C-N 3.35Å; G310-E312 PolarHBondContact O-N 3.48Å; E312-R314 PolarHBondContact O-N 2.96Å
313	E	42.1	Very low	60.4	Low	130 Å²	130	83.2 Å²	83.2	61%	0.607	43%	0.426	S	S	*	.			trans	-45.1	112.9	156.5	-81.1	-168.3	142.2	0	0	107.5	V315 K391	E313-V315 WeakPolarHBondContact O-CG2 3.41Å; E313-V315 PolarHBondContact O-N 3.26Å; E313-K391 VanDerWaalsContact CD-NZ 3.3Å; E313-K391 IonicContact OE1-NZ 3.15Å; E313-K391 PolarHBondContact OE1-NZ 3.29Å; E313-K391 IonicContact OE2-NZ 2.66Å; E313-K391 PolarHBondContact OE2-NZ 2.82Å
314	R	51.4	Low	62.7	Low	211 Å²	211	82.3 Å²	82.3	80%	0.796	42%	0.418	S	S	*	.			trans	-49.2	104.8	-174.4	-155.4	174.8	-171.4	173.7	0.4	109.2	E312 E316	E312-R314 PolarHBondContact O-N 2.96Å; R314-E316 PolarHBondContact O-N 2.64Å; R314-E316 VanDerWaalsContact O-N 3.07Å
315	V	64.9	Low	64.9	Low	78 Å²	78	81.4 Å²	81.4	47%	0.473	41%	0.408	S	S	.	.			trans	-71.7	107.2	-176.9	-174.3	0	0	0	0	107.3	E313 A389 R390	E313-V315 WeakPolarHBondContact O-CG2 3.41Å; E313-V315 PolarHBondContact O-N 3.26Å; V315-A389 HydrophobicContact CG1-CB 3.65Å; V315-R390 VanDerWaalsContact CG1-N 3.28Å
316	E	81.5	Confident	67.2	Low	59 Å²	59	77.1 Å²	77.1	28%	0.276	39%	0.385	S	S	.	.			trans	-61.5	142.4	175.6	-170.8	-172.4	154.6	0	0	109.7	R314 A389 R390 G392 A393 V394	R314-E316 PolarHBondContact O-N 2.64Å; R314-E316 VanDerWaalsContact O-N 3.07Å; E316-A389 WeakPolarHBondContact O-CA 2.99Å; E316-R390 WeakPolarHBondContact CB-O 3.35Å; E316-R390 PolarHBondContact N-O 3.44Å; E316-R390 PolarHBondContact O-N 3.07Å; E316-G392 VanDerWaalsContact OE2-C 3.26Å; E316-G392 WeakPolarHBondContact OE2-CA 3.46Å; E316-G392 PolarHBondContact OE2-N 3.01Å; E316-A393 HydrophobicContact CB-CB 4.08Å; E316-A393 HydrophobicContact CG-CB 4.16Å; E316-A393 WeakPolarHBondContact O-CB 3.48Å; E316-A393 PolarHBondContact OE2-N 3.31Å; E316-V394 WeakPolarHBondContact OE1-CB 3.44Å; E316-V394 WeakPolarHBondContact OE1-CG2 3.21Å; E316-V394 PolarHBondContact OE1-N 3.46Å; E316-V394 VanDerWaalsContact OE1-N 3.1Å
317	R	89.8	Confident	69.2	Low	104 Å²	104	74.8 Å²	74.8	39%	0.392	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.9	177.6	-64.5	-177.8	178.1	-171.4	-2.4	110.7	L388 A389 L444 E526	R317-L388 CarbonylContact C-O 3.59Å; R317-L388 WeakPolarHBondContact CA-O 3.3Å; R317-A389 HydrophobicContact CG-CB 4.25Å; R317-L444 HydrophobicContact CB-CD1 3.64Å; R317-E526 IonicContact NH1-OE1 2.87Å; R317-E526 PolarHBondContact NH1-OE1 3.22Å; R317-E526 VanDerWaalsContact NH1-OE1 3.11Å; R317-E526 IonicContact NH1-OE2 2.84Å; R317-E526 PolarHBondContact NH1-OE2 3.28Å
318	T	93.7	Very high	71.4	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.4	173.9	-170.8	0	0	0	0	110.6	F343 L388 A393 W397	T318-F343 HydrophobicContact CG2-CE1 4.41Å; T318-L388 HydrophobicContact CG2-CB 3.91Å; T318-L388 PolarHBondContact N-O 3.1Å; T318-L388 PolarHBondContact O-N 3.42Å; T318-A393 HydrophobicContact CG2-CB 3.93Å; T318-W397 HydrophobicContact CG2-CB 3.82Å; T318-W397 HydrophobicContact CG2-CG 4.09Å
319	L	95.4	Very high	73.5	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130.4	171.2	-175.2	74.6	0	0	0	109.3	L321 F361 A385 G433 S434 E443 L444 F447 F448	L319-L321 HydrophobicContact CD2-CB 4.27Å; L319-L321 HydrophobicContact CD2-CD1 4.46Å; L319-L321 HydrophobicContact CG-CB 4.47Å; L319-F361 HydrophobicContact CD2-CE2 4.14Å; L319-F361 HydrophobicContact CD2-CZ 3.79Å; L319-A385 HydrophobicContact CD1-CB 4.3Å; L319-G433 WeakPolarHBondContact O-CA 3.4Å; L319-S434 WeakPolarHBondContact CB-OG 3.36Å; L319-S434 PolarHBondContact N-OG 3.18Å; L319-E443 HydrophobicContact CB-CB 4.12Å; L319-E443 HydrophobicContact CD2-CB 3.72Å; L319-E443 HydrophobicContact CD2-CG 4.45Å; L319-L444 HydrophobicContact CB-CD2 4.23Å; L319-L444 HydrophobicContact CB-CG 4.36Å; L319-L444 HydrophobicContact CD1-CD2 4.15Å; L319-F447 HydrophobicContact CD1-CD2 3.91Å; L319-F447 HydrophobicContact CD2-CD2 3.59Å; L319-F447 HydrophobicContact CD2-CE2 3.64Å; L319-F447 HydrophobicContact CG-CD2 4.44Å; L319-F448 HydrophobicContact CD1-CE2 4.01Å
320	A	94.7	Very high	76.1	Confident	0 Å²	0	69 Å²	69	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.9	160.7	0	0	0	0	0	108.8	L386 L388 W397	A320-L386 HydrophobicContact CB-CB 4.2Å; A320-L386 PolarHBondContact N-O 3.4Å; A320-L386 PolarHBondContact O-N 2.8Å; A320-L388 HydrophobicContact CB-CD1 3.5Å; A320-L388 VanDerWaalsContact CB-CD1 3.5Å; A320-L388 HydrophobicContact CB-CD2 4.49Å; A320-L388 HydrophobicContact CB-CG 3.79Å; A320-W397 HydrophobicContact CB-CD2 4.39Å; A320-W397 VanDerWaalsContact CB-CE2 3.48Å; A320-W397 HydrophobicContact CB-CH2 4.29Å; A320-W397 HydrophobicContact CB-CZ2 3.43Å; A320-W397 VanDerWaalsContact CB-CZ2 3.43Å
321	L	94.2	Very high	78.7	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.2	-178.3	175.1	146.3	0	0	0	110	L319 R323 M378 V383 H432 F447	L319-L321 HydrophobicContact CD2-CB 4.27Å; L319-L321 HydrophobicContact CD2-CD1 4.46Å; L319-L321 HydrophobicContact CG-CB 4.47Å; L321-R323 HydrophobicContact CD2-CG 4.09Å; L321-M378 HydrophobicContact CD1-CE 4.18Å; L321-M378 HydrophobicContact CD2-CE 3.77Å; L321-M378 HydrophobicContact CD2-SD 4.09Å; L321-V383 HydrophobicContact CD1-CG1 3.63Å; L321-V383 HydrophobicContact CD2-CG1 3.76Å; L321-V383 HydrophobicContact CG-CG1 3.42Å; L321-V383 VanDerWaalsContact CG-CG1 3.42Å; L321-H432 HydrophobicContact CB-CB 4.02Å; L321-H432 HydrophobicContact CD2-CB 3.87Å; L321-H432 PolarHBondContact N-O 3.07Å; L321-H432 PolarHBondContact O-N 2.88Å; L321-F447 HydrophobicContact CD1-CD2 4.47Å; L321-F447 HydrophobicContact CD1-CE1 4.07Å; L321-F447 HydrophobicContact CD1-CE2 3.46Å; L321-F447 VanDerWaalsContact CD1-CE2 3.46Å; L321-F447 HydrophobicContact CD1-CZ 3.23Å
322	I	93.6	Very high	81.2	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.5	-178.3	-48.9	-179.5	0	0	0	107.8	V326 A327 I334 V383 L384 L386 L431	I322-V326 HydrophobicContact CG2-CB 4.34Å; I322-V326 HydrophobicContact CG2-CG1 4.15Å; I322-A327 HydrophobicContact CB-CB 4.42Å; I322-A327 HydrophobicContact CG2-CB 3.9Å; I322-I334 HydrophobicContact CD1-CB 4.18Å; I322-I334 HydrophobicContact CD1-CD1 4.41Å; I322-I334 HydrophobicContact CD1-CG2 3.58Å; I322-I334 HydrophobicContact CG1-CG2 4.41Å; I322-I334 HydrophobicContact CG2-CD1 4.09Å; I322-V383 WeakPolarHBondContact O-CG1 3.31Å; I322-L384 HydrophobicContact CB-CB 4.26Å; I322-L384 HydrophobicContact CD1-CD2 4.13Å; I322-L384 PolarHBondContact N-O 3.02Å; I322-L384 PolarHBondContact O-N 3.17Å; I322-L386 HydrophobicContact CD1-CD1 4Å; I322-L431 HydrophobicContact CB-CD2 4.2Å; I322-L431 HydrophobicContact CG1-CD2 3.91Å; I322-L431 HydrophobicContact CG2-CD2 3.91Å
323	R	92.7	Very high	83.7	Confident	10 Å²	10	62.3 Å²	62.3	4%	0.038	28%	0.283	C	S	.	.			trans	-72.8	159.6	-175.7	-62.4	-172.9	-172.7	-175.7	-4.1	112	L321 D325 V326 A327 L374 N377 M378 N429 Q430	L321-R323 HydrophobicContact CD2-CG 4.09Å; R323-D325 VanDerWaalsContact C-N 3.3Å; R323-D325 PolarHBondContact O-N 3.04Å; R323-D325 VanDerWaalsContact O-N 3.15Å; R323-V326 PolarHBondContact O-N 3.21Å; R323-A327 VanDerWaalsContact O-CB 3.26Å; R323-A327 WeakPolarHBondContact O-CB 3.21Å; R323-A327 PolarHBondContact O-N 3.42Å; R323-L374 VanDerWaalsContact NH2-CD1 3.32Å; R323-N377 WeakPolarHBondContact CB-OD1 3.2Å; R323-N377 WeakPolarHBondContact CD-OD1 3.12Å; R323-M378 HydrophobicContact CG-SD 3.78Å; R323-N429 WeakPolarHBondContact CD-O 3.18Å; R323-N429 PolarHBondContact NE-O 2.87Å; R323-N429 PolarHBondContact NH1-O 2.94Å; R323-Q430 WeakPolarHBondContact CB-O 3.44Å; R323-Q430 WeakPolarHBondContact CG-O 3.5Å; R323-Q430 PolarHBondContact N-O 3.34Å; R323-Q430 VanDerWaalsContact N-O 3.09Å
324	P	89.9	Confident	86	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.013	25%	0.254	C	S	.	.	H	α-helix	trans	-60.4	-32.6	-164	-28.5	39.2	0	0	0	115.4	R328 N377 G381 V383	P324-R328 PolarHBondContact O-N 3.32Å; P324-N377 WeakPolarHBondContact CG-O 3.33Å; P324-G381 VanDerWaalsContact CG-O 3.27Å; P324-G381 WeakPolarHBondContact CG-O 3.33Å; P324-V383 HydrophobicContact CG-CG2 3.8Å
325	D	84.2	Confident	87.8	Confident	39 Å²	39	47.1 Å²	47.1	21%	0.209	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-51.4	-178.7	-63.2	-30.3	0	0	0	111.1	R323 R328 N377	R323-D325 VanDerWaalsContact C-N 3.3Å; R323-D325 PolarHBondContact O-N 3.04Å; R323-D325 VanDerWaalsContact O-N 3.15Å; D325-R328 PolarHBondContact O-N 2.96Å; D325-N377 PolarHBondContact OD2-ND2 2.94Å
326	V	85.4	Confident	89	Confident	2 Å²	2	46.2 Å²	46.2	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-78.6	-30	-178.6	175.8	0	0	0	0	111.8	I322 R323 R328 E329 N330 R331 I334 F421 V423 Q430	I322-V326 HydrophobicContact CG2-CB 4.34Å; I322-V326 HydrophobicContact CG2-CG1 4.15Å; R323-V326 PolarHBondContact O-N 3.21Å; V326-R328 PolarHBondContact O-N 3.32Å; V326-E329 PolarHBondContact O-N 3.4Å; V326-N330 HydrophobicContact CG1-CB 4.01Å; V326-N330 PolarHBondContact O-N 3.31Å; V326-R331 PolarHBondContact O-N 3.21Å; V326-I334 HydrophobicContact CG1-CD1 3.2Å; V326-F421 HydrophobicContact CG1-CB 4.14Å; V326-F421 HydrophobicContact CG1-CD1 4.31Å; V326-F421 HydrophobicContact CG1-CG 4.35Å; V326-F421 HydrophobicContact CG2-CB 4.47Å; V326-V423 HydrophobicContact CG2-CG2 4.03Å; V326-Q430 HydrophobicContact CB-CB 4.06Å; V326-Q430 HydrophobicContact CG2-CB 3.39Å; V326-Q430 HydrophobicContact CG2-CG 3.5Å
327	A	82.3	Confident	89.4	Confident	18 Å²	18	46 Å²	46	15%	0.149	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-26.3	173.7	0	0	0	0	0	112.5	I322 R323 R331 L384	I322-A327 HydrophobicContact CB-CB 4.42Å; I322-A327 HydrophobicContact CG2-CB 3.9Å; R323-A327 VanDerWaalsContact O-CB 3.26Å; R323-A327 WeakPolarHBondContact O-CB 3.21Å; R323-A327 PolarHBondContact O-N 3.42Å; A327-R331 WeakPolarHBondContact O-CB 3.4Å; A327-L384 HydrophobicContact CB-CB 4.41Å
328	R	82.5	Confident	89.4	Confident	152 Å²	152	41 Å²	41	57%	0.574	20%	0.203	S	C	*	.	H	α-helix	trans	-80.4	-39.2	178.5	-166.8	-176.3	-57.3	110.5	3.2	113	P324 D325 V326	P324-R328 PolarHBondContact O-N 3.32Å; D325-R328 PolarHBondContact O-N 2.96Å; V326-R328 PolarHBondContact O-N 3.32Å
329	E	83.6	Confident	89.1	Confident	153 Å²	153	46.1 Å²	46.1	72%	0.715	23%	0.226	S	C	*	.	H	α-helix	trans	-104.1	-33.6	-168.7	-64.2	-174.8	-176.7	0	0	113.9	V326	V326-E329 PolarHBondContact O-N 3.4Å
330	N	88.7	Confident	88.8	Confident	48 Å²	48	54.3 Å²	54.3	26%	0.257	26%	0.262	S	S	.	.	S	Bend	trans	-125	15.6	-169.6	-60.2	95.6	0	0	0	114.3	V326 D332 E333 I334 F421	V326-N330 HydrophobicContact CG1-CB 4.01Å; V326-N330 PolarHBondContact O-N 3.31Å; N330-D332 PolarHBondContact O-N 3.19Å; N330-E333 PolarHBondContact ND2-OE2 3.44Å; N330-E333 PolarHBondContact O-N 3.1Å; N330-I334 HydrophobicContact CB-CD1 4.25Å; N330-I334 WeakPolarHBondContact O-CG1 3.33Å; N330-I334 PolarHBondContact O-N 3.47Å; N330-F421 HydrophobicContact CB-CD1 3.82Å; N330-F421 HydrophobicContact CB-CE1 3.69Å
331	R	88.1	Confident	88.4	Confident	70 Å²	70	55.7 Å²	55.7	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-48.5	-56	-179	175.1	-174.4	-179.4	163	10.9	113	V326 A327 E333 I334 L335 E350 L384	V326-R331 PolarHBondContact O-N 3.21Å; A327-R331 WeakPolarHBondContact O-CB 3.4Å; R331-E333 VanDerWaalsContact C-N 3.26Å; R331-E333 PolarHBondContact O-N 3.33Å; R331-I334 PolarHBondContact O-N 2.9Å; R331-L335 HydrophobicContact CG-CD1 3.85Å; R331-L335 HydrophobicContact CG-CG 4.41Å; R331-L335 WeakPolarHBondContact O-CG 3.44Å; R331-L335 PolarHBondContact O-N 3.41Å; R331-E350 IonicContact CZ-OE1 2.75Å; R331-E350 VanDerWaalsContact CZ-OE1 3.3Å; R331-E350 IonicContact NH1-OE1 3.16Å; R331-E350 PolarHBondContact NH1-OE1 3.48Å; R331-E350 IonicContact NH2-OE1 3.39Å; R331-E350 PolarHBondContact NH2-OE1 3.4Å; R331-L384 HydrophobicContact CG-CD2 3.95Å
332	D	89.1	Confident	88.1	Confident	128 Å²	128	57.9 Å²	57.9	68%	0.684	29%	0.294	S	S	*	.	H	α-helix	trans	-65.8	-34.1	-172.5	-65.2	-26.9	0	0	0	111.6	N330 A336	N330-D332 PolarHBondContact O-N 3.19Å; D332-A336 VanDerWaalsContact O-CB 3.3Å; D332-A336 WeakPolarHBondContact O-CB 3.15Å; D332-A336 PolarHBondContact O-N 2.91Å
333	E	90.9	Very high	87.9	Confident	103 Å²	103	58.1 Å²	58.1	48%	0.481	30%	0.295	S	S	.	.	H	α-helix	trans	-67	-43.6	176.3	-168.2	177.5	-176.4	0	0	111.4	N330 R331 A336 Q337 F421	N330-E333 PolarHBondContact ND2-OE2 3.44Å; N330-E333 PolarHBondContact O-N 3.1Å; R331-E333 VanDerWaalsContact C-N 3.26Å; R331-E333 PolarHBondContact O-N 3.33Å; E333-A336 PolarHBondContact O-N 3.43Å; E333-Q337 WeakPolarHBondContact O-CG 3.19Å; E333-Q337 PolarHBondContact O-N 3.08Å; E333-F421 HydrophobicContact CB-CZ 4.39Å; E333-F421 HydrophobicContact CG-CE1 4.34Å; E333-F421 HydrophobicContact CG-CZ 3.99Å
334	I	90.2	Very high	87.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-44.1	177.6	-67.5	159.5	0	0	0	111.1	I322 V326 N330 R331 A336 Q337 I338 F421 L431	I322-I334 HydrophobicContact CD1-CB 4.18Å; I322-I334 HydrophobicContact CD1-CD1 4.41Å; I322-I334 HydrophobicContact CD1-CG2 3.58Å; I322-I334 HydrophobicContact CG1-CG2 4.41Å; I322-I334 HydrophobicContact CG2-CD1 4.09Å; V326-I334 HydrophobicContact CG1-CD1 3.2Å; N330-I334 HydrophobicContact CB-CD1 4.25Å; N330-I334 WeakPolarHBondContact O-CG1 3.33Å; N330-I334 PolarHBondContact O-N 3.47Å; R331-I334 PolarHBondContact O-N 2.9Å; I334-A336 VanDerWaalsContact C-N 3.29Å; I334-A336 PolarHBondContact O-N 3.47Å; I334-Q337 PolarHBondContact O-N 3.37Å; I334-Q337 VanDerWaalsContact O-N 3.14Å; I334-I338 HydrophobicContact CG2-CD1 3.86Å; I334-I338 HydrophobicContact CG2-CG1 4.39Å; I334-I338 WeakPolarHBondContact O-CG1 3.07Å; I334-I338 PolarHBondContact O-N 3.36Å; I334-F421 HydrophobicContact CD1-CD1 4.29Å; I334-F421 HydrophobicContact CD1-CD2 4.25Å; I334-F421 HydrophobicContact CD1-CE1 4.39Å; I334-F421 HydrophobicContact CD1-CE2 4.36Å; I334-F421 HydrophobicContact CD1-CG 4.23Å; I334-F421 HydrophobicContact CD1-CZ 4.43Å; I334-F421 HydrophobicContact CG1-CD1 4.3Å; I334-F421 HydrophobicContact CG1-CD2 3.89Å; I334-F421 HydrophobicContact CG1-CE1 3.99Å; I334-F421 HydrophobicContact CG1-CE2 3.55Å; I334-F421 HydrophobicContact CG1-CG 4.27Å; I334-F421 HydrophobicContact CG1-CZ 3.6Å; I334-L431 HydrophobicContact CD1-CD2 3.98Å; I334-L431 HydrophobicContact CG2-CD2 4.47Å
335	L	89.3	Confident	87.4	Confident	23 Å²	23	63.6 Å²	63.6	12%	0.12	33%	0.33	C	S	.	.	H	α-helix	trans	-60.2	-41.2	175.4	-70.2	176.1	0	0	0	111.2	R331 Q337 I338 H339 L386	R331-L335 HydrophobicContact CG-CD1 3.85Å; R331-L335 HydrophobicContact CG-CG 4.41Å; R331-L335 WeakPolarHBondContact O-CG 3.44Å; R331-L335 PolarHBondContact O-N 3.41Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 3Å; L335-I338 HydrophobicContact CD2-CD1 4.45Å; L335-I338 PolarHBondContact O-N 3.33Å; L335-H339 PolarHBondContact O-CD2 3.47Å; L335-H339 PolarHBondContact O-N 2.97Å; L335-L386 HydrophobicContact CD2-CD1 3.62Å; L335-L386 HydrophobicContact CD2-CD2 4.27Å
336	A	89.3	Confident	87.4	Confident	58 Å²	58	63.6 Å²	63.6	48%	0.479	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-39.9	174.8	0	0	0	0	0	112.3	D332 E333 I334 K340	D332-A336 VanDerWaalsContact O-CB 3.3Å; D332-A336 WeakPolarHBondContact O-CB 3.15Å; D332-A336 PolarHBondContact O-N 2.91Å; E333-A336 PolarHBondContact O-N 3.43Å; I334-A336 VanDerWaalsContact C-N 3.29Å; I334-A336 PolarHBondContact O-N 3.47Å; A336-K340 VanDerWaalsContact O-CB 3.25Å; A336-K340 WeakPolarHBondContact O-CB 3.47Å; A336-K340 PolarHBondContact O-N 3.4Å
337	Q	89.2	Confident	87.3	Confident	54 Å²	54	64.6 Å²	64.6	25%	0.252	34%	0.34	S	S	.	.	H	α-helix	trans	-67.5	-39.5	175.4	-66.2	-65.8	-12	0	0	112.5	E333 I334 L335 K340 S341 L417	E333-Q337 WeakPolarHBondContact O-CG 3.19Å; E333-Q337 PolarHBondContact O-N 3.08Å; I334-Q337 PolarHBondContact O-N 3.37Å; I334-Q337 VanDerWaalsContact O-N 3.14Å; L335-Q337 VanDerWaalsContact C-N 3.34Å; L335-Q337 PolarHBondContact O-N 3Å; Q337-K340 PolarHBondContact O-N 3.24Å; Q337-S341 WeakPolarHBondContact O-CB 3.37Å; Q337-S341 PolarHBondContact O-N 2.95Å; Q337-S341 PolarHBondContact O-OG 2.95Å; Q337-L417 HydrophobicContact CB-CD2 4.09Å; Q337-L417 HydrophobicContact CG-CD2 4.22Å
338	I	90.1	Very high	87.6	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-50.2	175.2	-72.6	168.5	0	0	0	110	I334 L335 S341 G342 F343 V345 L386 L388 W397	I334-I338 HydrophobicContact CG2-CD1 3.86Å; I334-I338 HydrophobicContact CG2-CG1 4.39Å; I334-I338 WeakPolarHBondContact O-CG1 3.07Å; I334-I338 PolarHBondContact O-N 3.36Å; L335-I338 HydrophobicContact CD2-CD1 4.45Å; L335-I338 PolarHBondContact O-N 3.33Å; I338-S341 PolarHBondContact O-N 3.32Å; I338-G342 PolarHBondContact O-N 3.13Å; I338-F343 HydrophobicContact CG2-CB 3.63Å; I338-F343 HydrophobicContact CG2-CD2 4.48Å; I338-F343 HydrophobicContact CG2-CG 4.34Å; I338-F343 PolarHBondContact O-N 3.06Å; I338-V345 HydrophobicContact CG2-CG2 4.19Å; I338-L386 HydrophobicContact CD1-CD1 3.75Å; I338-L388 HydrophobicContact CD1-CD1 4.39Å; I338-L388 HydrophobicContact CD1-CD2 4.45Å; I338-L388 HydrophobicContact CG1-CD1 4.47Å; I338-L388 HydrophobicContact CG2-CD1 4.08Å; I338-L388 HydrophobicContact CG2-CD2 3.66Å; I338-W397 HydrophobicContact CD1-CH2 3.89Å; I338-W397 HydrophobicContact CD1-CZ3 4.25Å; I338-W397 HydrophobicContact CG1-CH2 3.74Å; I338-W397 HydrophobicContact CG1-CZ3 3.62Å
339	H	88.4	Confident	87.7	Confident	108 Å²	108	63.7 Å²	63.7	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-64.3	-42.1	177.6	-73.4	-56.8	0	0	0	112.7	L335 S341 G342	L335-H339 PolarHBondContact O-CD2 3.47Å; L335-H339 PolarHBondContact O-N 2.97Å; H339-S341 PolarHBondContact O-N 3.36Å; H339-G342 PolarHBondContact O-N 3.28Å
340	K	89.1	Confident	88	Confident	172 Å²	172	61.3 Å²	61.3	75%	0.748	33%	0.328	S	S	*	.	H	α-helix	trans	-60.9	-29.5	176	-174.2	-179.6	177.5	-173.2	0	112.5	A336 Q337 G342	A336-K340 VanDerWaalsContact O-CB 3.25Å; A336-K340 WeakPolarHBondContact O-CB 3.47Å; A336-K340 PolarHBondContact O-N 3.4Å; Q337-K340 PolarHBondContact O-N 3.24Å; K340-G342 PolarHBondContact O-N 2.81Å
341	S	86.4	Confident	88.1	Confident	29 Å²	29	60.4 Å²	60.4	20%	0.203	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.4	176.7	-55	0	0	0	0	113.4	Q337 I338 H339 R390 H396	Q337-S341 WeakPolarHBondContact O-CB 3.37Å; Q337-S341 PolarHBondContact O-N 2.95Å; Q337-S341 PolarHBondContact O-OG 2.95Å; I338-S341 PolarHBondContact O-N 3.32Å; H339-S341 PolarHBondContact O-N 3.36Å; S341-R390 PolarHBondContact O-NE 2.9Å; S341-H396 PolarHBondContact O-NE2 3.48Å
342	G	86.4	Confident	88.2	Confident	46 Å²	46	62.4 Å²	62.4	47%	0.474	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	22.3	175.8	0	0	0	0	0	114.1	I338 H339 K340	I338-G342 PolarHBondContact O-N 3.13Å; H339-G342 PolarHBondContact O-N 3.28Å; K340-G342 PolarHBondContact O-N 2.81Å
343	F	89.4	Confident	88.4	Confident	5 Å²	5	56.7 Å²	56.7	2%	0.022	31%	0.307	C	S	.	.			trans	-84.3	142.9	167.9	-72.6	-84.9	0	0	0	111.1	T318 I338 L388 R390 A393 H396 W397 I400	T318-F343 HydrophobicContact CG2-CE1 4.41Å; I338-F343 HydrophobicContact CG2-CB 3.63Å; I338-F343 HydrophobicContact CG2-CD2 4.48Å; I338-F343 HydrophobicContact CG2-CG 4.34Å; I338-F343 PolarHBondContact O-N 3.06Å; F343-L388 HydrophobicContact CB-CB 4.46Å; F343-L388 HydrophobicContact CD1-CB 3.69Å; F343-L388 HydrophobicContact CD1-CD1 4.16Å; F343-L388 HydrophobicContact CE1-CB 4.25Å; F343-L388 HydrophobicContact CE1-CD1 4.46Å; F343-L388 HydrophobicContact CG-CB 4.3Å; F343-L388 HydrophobicContact CG-CD1 4.22Å; F343-R390 HydrophobicContact CD1-CB 3.6Å; F343-R390 HydrophobicContact CD1-CG 4.41Å; F343-R390 HydrophobicContact CE1-CB 3.81Å; F343-R390 HydrophobicContact CG-CB 4.4Å; F343-A393 HydrophobicContact CE1-CB 4.03Å; F343-H396 AromaticContact CE2-CD2 3.57Å; F343-H396 HydrophobicContact CZ-CB 3.94Å; F343-H396 AromaticContact CZ-CD2 3.75Å; F343-W397 HydrophobicContact CE1-CB 4.29Å; F343-W397 HydrophobicContact CE2-CE3 4.08Å; F343-W397 HydrophobicContact CZ-CB 3.78Å; F343-W397 HydrophobicContact CZ-CE3 4.34Å; F343-I400 HydrophobicContact CE2-CD1 3.79Å
344	T	86.4	Confident	88.5	Confident	94 Å²	94	55 Å²	55	58%	0.577	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.1	164	-57.8	0	0	0	0	108.2	A346 A389	T344-A346 PolarHBondContact O-N 3.27Å; T344-A389 PolarHBondContact N-O 3.18Å; T344-A389 PolarHBondContact O-N 3.5Å
345	V	87.3	Confident	88.6	Confident	34 Å²	34	59.3 Å²	59.3	21%	0.206	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	103	171.6	-178.6	0	0	0	0	107	I338 L347 Q348 L386 L388	I338-V345 HydrophobicContact CG2-CG2 4.19Å; V345-L347 WeakPolarHBondContact CG1-O 3.44Å; V345-Q348 HydrophobicContact CG1-CB 4.21Å; V345-L386 HydrophobicContact CG1-CD2 4.11Å; V345-L388 HydrophobicContact CG2-CD2 3.84Å
346	A	83.9	Confident	88.7	Confident	39 Å²	39	63.7 Å²	63.7	32%	0.322	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-42.5	-179.4	0	0	0	0	0	111.3	T344 A387 A389	T344-A346 PolarHBondContact O-N 3.27Å; A346-A387 HydrophobicContact CB-CB 4.48Å; A346-A387 PolarHBondContact N-O 3.26Å; A346-A389 HydrophobicContact CB-CB 4.09Å
347	L	83.1	Confident	88.8	Confident	22 Å²	22	64.1 Å²	64.1	12%	0.115	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.3	176	-59.9	173.4	0	0	0	110.2	V345 L386 A387 F448 E526	V345-L347 WeakPolarHBondContact CG1-O 3.44Å; L347-L386 CarbonylContact O-C 3.51Å; L347-L386 WeakPolarHBondContact O-CA 3.4Å; L347-A387 HydrophobicContact CB-CB 3.82Å; L347-A387 HydrophobicContact CD1-CB 4.47Å; L347-A387 HydrophobicContact CG-CB 4.37Å; L347-A387 PolarHBondContact N-O 3.08Å; L347-A387 PolarHBondContact O-N 3.15Å; L347-F448 HydrophobicContact CB-CD1 3.82Å; L347-F448 HydrophobicContact CB-CE1 3.63Å; L347-F448 HydrophobicContact CB-CG 4.37Å; L347-F448 HydrophobicContact CB-CZ 4.05Å; L347-F448 HydrophobicContact CD1-CB 3.82Å; L347-F448 HydrophobicContact CD1-CD1 3.68Å; L347-F448 HydrophobicContact CD1-CE1 4.36Å; L347-F448 HydrophobicContact CD1-CG 3.77Å; L347-F448 HydrophobicContact CG-CD1 4.4Å; L347-E526 HydrophobicContact CD1-CB 3.7Å; L347-E526 HydrophobicContact CD1-CG 4.18Å; L347-E526 VanDerWaalsContact CD1-OE2 3.26Å; L347-E526 WeakPolarHBondContact CD1-OE2 3.47Å
348	Q	88.8	Confident	89	Confident	106 Å²	106	61.6 Å²	61.6	50%	0.495	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.8	169.6	63.1	174.1	8.5	0	0	110.3	V345 L384 A385 L386	V345-Q348 HydrophobicContact CG1-CB 4.21Å; Q348-L384 HydrophobicContact CB-CD1 4.45Å; Q348-A385 CarbonylContact C-O 3.56Å; Q348-A385 VanDerWaalsContact CA-O 3.32Å; Q348-A385 WeakPolarHBondContact CA-O 3.43Å; Q348-L386 HydrophobicContact CB-CD2 3.41Å; Q348-L386 VanDerWaalsContact CB-CD2 3.41Å
349	K	85.1	Confident	89.1	Confident	45 Å²	45	65.5 Å²	65.5	20%	0.196	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.7	176.5	-172.1	168.1	-165.8	158.1	0	110.6	A385 F448 N527 E530	K349-A385 PolarHBondContact N-O 3.36Å; K349-A385 PolarHBondContact O-N 2.97Å; K349-F448 HydrophobicContact CB-CE1 3.69Å; K349-F448 HydrophobicContact CB-CZ 4.25Å; K349-N527 PolarHBondContact NZ-OD1 3.27Å; K349-E530 IonicContact NZ-OE1 3.75Å; K349-E530 PolarHBondContact NZ-OE1 3.18Å; K349-E530 IonicContact NZ-OE2 2.9Å
350	E	89.9	Confident	89.2	Confident	104 Å²	104	66.4 Å²	66.4	49%	0.486	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	126.3	167.4	-72.1	179.4	-161.5	0	0	109	R331 V383 L384	R331-E350 IonicContact CZ-OE1 2.75Å; R331-E350 VanDerWaalsContact CZ-OE1 3.3Å; R331-E350 IonicContact NH1-OE1 3.16Å; R331-E350 PolarHBondContact NH1-OE1 3.48Å; R331-E350 IonicContact NH2-OE1 3.39Å; R331-E350 PolarHBondContact NH2-OE1 3.4Å; E350-V383 WeakPolarHBondContact CA-O 3.41Å; E350-L384 HydrophobicContact CG-CD1 3.85Å
351	V	88.9	Confident	89.4	Confident	29 Å²	29	58.8 Å²	58.8	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	133.1	-175.6	62.7	0	0	0	0	111.2	L353 V383 F447	V351-L353 HydrophobicContact CG1-CD2 4.19Å; V351-L353 HydrophobicContact CG1-CG 4.21Å; V351-L353 HydrophobicContact CG2-CD2 4.16Å; V351-V383 HydrophobicContact CG1-CB 4.47Å; V351-V383 PolarHBondContact N-O 3.49Å; V351-V383 PolarHBondContact O-N 3.48Å; V351-F447 HydrophobicContact CG1-CD1 3.92Å; V351-F447 HydrophobicContact CG1-CE1 3.71Å
352	M	91.9	Very high	89.5	Confident	111 Å²	111	57.8 Å²	57.8	55%	0.547	30%	0.304	S	S	.	.			trans	-86.3	111.7	166.4	-72.8	-68	-57.5	0	0	107.9	P382	M352-P382 HydrophobicContact SD-CB 4.06Å; M352-P382 HydrophobicContact SD-CG 4.47Å
353	L	92.1	Very high	89.6	Confident	9 Å²	9	60.8 Å²	60.8	5%	0.047	30%	0.304	C	S	.	.			trans	-86.2	142	-179.6	-66.7	168.2	0	0	0	111.4	V351 Q357 V358 M378 V383 F446 F447	V351-L353 HydrophobicContact CG1-CD2 4.19Å; V351-L353 HydrophobicContact CG1-CG 4.21Å; V351-L353 HydrophobicContact CG2-CD2 4.16Å; L353-Q357 HydrophobicContact CD2-CB 4.04Å; L353-V358 HydrophobicContact CB-CG2 3.82Å; L353-V358 HydrophobicContact CD1-CG2 4.31Å; L353-M378 HydrophobicContact CD1-CE 3.53Å; L353-V383 HydrophobicContact CD1-CG2 4.17Å; L353-F446 HydrophobicContact CD2-CE1 4.21Å; L353-F447 HydrophobicContact CD1-CE1 4.16Å; L353-F447 HydrophobicContact CD1-CZ 4.2Å; L353-F447 HydrophobicContact CD2-CE1 4.02Å
354	T	92.6	Very high	89.5	Confident	66 Å²	66	65.6 Å²	65.6	41%	0.405	33%	0.327	S	S	.	.			trans	-84.1	164	168.9	76.6	0	0	0	0	111.3	E356 Q357 V358	T354-E356 VanDerWaalsContact C-N 3.25Å; T354-E356 PolarHBondContact O-N 2.88Å; T354-E356 PolarHBondContact OG1-N 2.99Å; T354-E356 PolarHBondContact OG1-OE2 2.77Å; T354-Q357 PolarHBondContact O-N 3.34Å; T354-Q357 WeakPolarHBondContact OG1-CG 3.26Å; T354-Q357 PolarHBondContact OG1-N 2.84Å; T354-V358 WeakPolarHBondContact O-CG2 3.4Å; T354-V358 PolarHBondContact O-N 2.88Å
355	E	92.7	Very high	89.4	Confident	92 Å²	92	63.9 Å²	63.9	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-39.3	175.4	-68.4	-171.8	-173.7	0	0	112.2	V358 K359 M375 T379	E355-V358 PolarHBondContact O-N 3.11Å; E355-K359 VanDerWaalsContact O-CG 3.31Å; E355-K359 WeakPolarHBondContact O-CG 3.41Å; E355-K359 PolarHBondContact O-N 2.89Å; E355-M375 HydrophobicContact CB-SD 4.2Å; E355-M375 HydrophobicContact CG-CG 4.36Å; E355-M375 HydrophobicContact CG-SD 4.14Å; E355-T379 HydrophobicContact CG-CG2 4.19Å
356	E	91.8	Very high	89.4	Confident	114 Å²	114	65 Å²	65	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-44.6	176.3	-67.6	68.8	-150.5	0	0	111.5	T354 V358 K359 Q360	T354-E356 VanDerWaalsContact C-N 3.25Å; T354-E356 PolarHBondContact O-N 2.88Å; T354-E356 PolarHBondContact OG1-N 2.99Å; T354-E356 PolarHBondContact OG1-OE2 2.77Å; E356-V358 VanDerWaalsContact C-N 3.35Å; E356-V358 PolarHBondContact O-N 2.79Å; E356-K359 PolarHBondContact O-N 3.21Å; E356-Q360 WeakPolarHBondContact O-CG 3.47Å; E356-Q360 PolarHBondContact O-N 2.86Å
357	Q	91.2	Very high	89.6	Confident	68 Å²	68	70.8 Å²	70.8	32%	0.318	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-39.4	177.9	-72.8	176.6	-38.8	0	0	111.8	L353 T354 Q360 F361 F446	L353-Q357 HydrophobicContact CD2-CB 4.04Å; T354-Q357 PolarHBondContact O-N 3.34Å; T354-Q357 WeakPolarHBondContact OG1-CG 3.26Å; T354-Q357 PolarHBondContact OG1-N 2.84Å; Q357-Q360 PolarHBondContact O-N 2.79Å; Q357-F361 WeakPolarHBondContact O-CB 3.48Å; Q357-F361 PolarHBondContact O-N 2.91Å; Q357-F446 HydrophobicContact CB-CZ 4.14Å; Q357-F446 WeakPolarHBondContact O-CZ 3.31Å
358	V	92.9	Very high	89.8	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-64.9	-42.8	175.5	177.1	0	0	0	0	111	L353 T354 E355 E356 Q360 F361 Y362 M375 M378 T379	L353-V358 HydrophobicContact CB-CG2 3.82Å; L353-V358 HydrophobicContact CD1-CG2 4.31Å; T354-V358 WeakPolarHBondContact O-CG2 3.4Å; T354-V358 PolarHBondContact O-N 2.88Å; E355-V358 PolarHBondContact O-N 3.11Å; E356-V358 VanDerWaalsContact C-N 3.35Å; E356-V358 PolarHBondContact O-N 2.79Å; V358-Q360 VanDerWaalsContact C-N 3.34Å; V358-Q360 PolarHBondContact O-N 2.88Å; V358-F361 PolarHBondContact O-N 3.46Å; V358-Y362 HydrophobicContact CG1-CD2 3.95Å; V358-Y362 PolarHBondContact O-N 2.9Å; V358-M375 HydrophobicContact CG1-CB 4.42Å; V358-M375 HydrophobicContact CG1-CG 4.36Å; V358-M378 HydrophobicContact CG1-CB 4.2Å; V358-M378 HydrophobicContact CG1-CG 4.46Å; V358-M378 HydrophobicContact CG2-CB 3.71Å; V358-T379 HydrophobicContact CG2-CG2 4.03Å
359	K	92.1	Very high	89.7	Confident	83 Å²	83	77.2 Å²	77.2	36%	0.361	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-39.1	175.1	-73.1	168.8	-173	163.6	0	112.4	E355 E356 F363 F371	E355-K359 VanDerWaalsContact O-CG 3.31Å; E355-K359 WeakPolarHBondContact O-CG 3.41Å; E355-K359 PolarHBondContact O-N 2.89Å; E356-K359 PolarHBondContact O-N 3.21Å; K359-F363 WeakPolarHBondContact O-CA 3.33Å; K359-F363 WeakPolarHBondContact O-CB 3.36Å; K359-F363 PolarHBondContact O-N 3.02Å; K359-F363 VanDerWaalsContact O-N 3.1Å; K359-F371 HydrophobicContact CG-CE1 4.14Å; K359-F371 HydrophobicContact CG-CZ 3.99Å
360	Q	91.2	Very high	89.6	Confident	126 Å²	126	79.3 Å²	79.3	59%	0.589	39%	0.386	S	S	*	.	H	α-helix	trans	-66.6	-44.6	175	-75.2	176.9	-24.8	0	0	111.7	E356 Q357 V358 F446	E356-Q360 WeakPolarHBondContact O-CG 3.47Å; E356-Q360 PolarHBondContact O-N 2.86Å; Q357-Q360 PolarHBondContact O-N 2.79Å; V358-Q360 VanDerWaalsContact C-N 3.34Å; V358-Q360 PolarHBondContact O-N 2.88Å; Q360-F446 HydrophobicContact CB-CE2 4.27Å
361	F	92.4	Very high	89.6	Confident	12 Å²	12	74.8 Å²	74.8	5%	0.053	37%	0.365	C	S	.	.	H	α-helix	trans	-67.7	-45.5	-178.2	-174.8	-101.2	0	0	0	112.3	L319 Q357 V358 H432 E443 F446 F447	L319-F361 HydrophobicContact CD2-CE2 4.14Å; L319-F361 HydrophobicContact CD2-CZ 3.79Å; Q357-F361 WeakPolarHBondContact O-CB 3.48Å; Q357-F361 PolarHBondContact O-N 2.91Å; V358-F361 PolarHBondContact O-N 3.46Å; F361-H432 AromaticContact CZ-NE2 3.98Å; F361-E443 HydrophobicContact CE2-CB 3.86Å; F361-E443 HydrophobicContact CE2-CG 3.63Å; F361-E443 HydrophobicContact CZ-CB 4.17Å; F361-E443 HydrophobicContact CZ-CG 3.72Å; F361-F446 HydrophobicContact CB-CD1 4.46Å; F361-F446 HydrophobicContact CB-CE1 4.01Å; F361-F446 HydrophobicContact CB-CE2 4.32Å; F361-F446 HydrophobicContact CB-CZ 3.93Å; F361-F446 HydrophobicContact CD2-CB 4.26Å; F361-F446 AromaticContact CD2-CD1 3.5Å; F361-F446 HydrophobicContact CD2-CD1 3.5Å; F361-F446 HydrophobicContact CD2-CD2 4.4Å; F361-F446 AromaticContact CD2-CE1 3.86Å; F361-F446 HydrophobicContact CD2-CE1 3.86Å; F361-F446 AromaticContact CD2-CG 3.8Å; F361-F446 HydrophobicContact CD2-CG 3.8Å; F361-F446 HydrophobicContact CD2-CZ 4.44Å; F361-F446 HydrophobicContact CE2-CD1 4.19Å; F361-F446 HydrophobicContact CG-CD1 4.31Å; F361-F446 HydrophobicContact CG-CE1 4.23Å; F361-F447 AromaticContact CD2-CE2 3.73Å; F361-F447 HydrophobicContact CD2-CE2 3.73Å; F361-F447 HydrophobicContact CD2-CZ 4.23Å; F361-F447 HydrophobicContact CE1-CE2 4.3Å; F361-F447 AromaticContact CE2-CD2 3.98Å; F361-F447 HydrophobicContact CE2-CD2 3.98Å; F361-F447 AromaticContact CE2-CE2 3.29Å; F361-F447 HydrophobicContact CE2-CE2 3.29Å; F361-F447 HydrophobicContact CE2-CZ 4.17Å; F361-F447 HydrophobicContact CG-CE2 4.4Å; F361-F447 AromaticContact CZ-CE2 3.63Å; F361-F447 HydrophobicContact CZ-CE2 3.63Å; F361-F447 HydrophobicContact CZ-CZ 4.42Å
362	Y	89.8	Confident	89.7	Confident	9 Å²	9	77.3 Å²	77.3	4%	0.035	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	38.9	-179.9	-67.1	-71.1	0	0	0	112.3	V358 Q364 H365 V366 L374 M378 H432	V358-Y362 HydrophobicContact CG1-CD2 3.95Å; V358-Y362 PolarHBondContact O-N 2.9Å; Y362-Q364 PolarHBondContact O-N 3.12Å; Y362-Q364 VanDerWaalsContact O-N 3.08Å; Y362-H365 AromaticContact CD1-CD2 3.85Å; Y362-H365 PolarHBondContact O-N 3.1Å; Y362-V366 PolarHBondContact O-N 3.07Å; Y362-L374 HydrophobicContact CD1-CD2 4.14Å; Y362-L374 HydrophobicContact CD2-CD2 3.86Å; Y362-L374 HydrophobicContact CD2-CG 4.4Å; Y362-L374 HydrophobicContact CE1-CD2 4.33Å; Y362-L374 HydrophobicContact CE2-CD1 4.2Å; Y362-L374 HydrophobicContact CE2-CD2 4.06Å; Y362-L374 HydrophobicContact CE2-CG 4.32Å; Y362-L374 HydrophobicContact CG-CD2 3.9Å; Y362-M378 HydrophobicContact CE2-CE 4.04Å; Y362-M378 HydrophobicContact CE2-CG 4.13Å; Y362-M378 HydrophobicContact CE2-SD 4.3Å; Y362-H432 AromaticContact CE1-ND1 3.96Å
363	F	88.7	Confident	89.5	Confident	109 Å²	109	73.1 Å²	73.1	48%	0.478	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-56.1	-30.8	-174.5	74.7	-85.6	0	0	0	113.7	K359 H365 V366	K359-F363 WeakPolarHBondContact O-CA 3.33Å; K359-F363 WeakPolarHBondContact O-CB 3.36Å; K359-F363 PolarHBondContact O-N 3.02Å; K359-F363 VanDerWaalsContact O-N 3.1Å; F363-H365 VanDerWaalsContact C-N 3.26Å; F363-H365 PolarHBondContact O-N 3.21Å; F363-V366 WeakPolarHBondContact O-CG2 3.32Å
364	Q	86.4	Confident	89.4	Confident	106 Å²	106	72.9 Å²	72.9	50%	0.495	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-72.6	-17.9	178.2	-63.2	179.8	-24.6	0	0	113.6	Y362	Y362-Q364 PolarHBondContact O-N 3.12Å; Y362-Q364 VanDerWaalsContact O-N 3.08Å
365	H	85.3	Confident	89.3	Confident	58 Å²	58	71.5 Å²	71.5	27%	0.269	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-105.9	2.1	-176.3	-58.6	-72.2	0	0	0	112.6	Y362 F363 D367 E368 Y370 F371	Y362-H365 AromaticContact CD1-CD2 3.85Å; Y362-H365 PolarHBondContact O-N 3.1Å; F363-H365 VanDerWaalsContact C-N 3.26Å; F363-H365 PolarHBondContact O-N 3.21Å; H365-D367 PolarHBondContact O-N 3.18Å; H365-E368 HydrophobicContact CB-CG 4.26Å; H365-E368 VanDerWaalsContact O-CB 3.31Å; H365-E368 WeakPolarHBondContact O-CB 3.38Å; H365-E368 PolarHBondContact O-N 3.4Å; H365-Y370 PolarHBondContact ND1-OH 3.29Å; H365-F371 HydrophobicContact CB-CD2 3.96Å; H365-F371 HydrophobicContact CB-CE2 4.5Å; H365-F371 WeakPolarHBondContact O-CB 3.06Å; H365-F371 WeakPolarHBondContact O-CD2 3.48Å; H365-F371 WeakPolarHBondContact O-CG 3.15Å
366	V	86.6	Confident	89.2	Confident	58 Å²	58	74.9 Å²	74.9	35%	0.352	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.3	-173	173	0	0	0	0	112.4	Y362 F363 F371	Y362-V366 PolarHBondContact O-N 3.07Å; F363-V366 WeakPolarHBondContact O-CG2 3.32Å; V366-F371 HydrophobicContact CG2-CE1 4.29Å; V366-F371 HydrophobicContact CG2-CE2 4.06Å; V366-F371 HydrophobicContact CG2-CZ 3.84Å
367	D	88.1	Confident	89.1	Confident	160 Å²	160	69.9 Å²	69.9	86%	0.856	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	2.3	-179	-62.7	-42.1	0	0	0	113.7	H365	H365-D367 PolarHBondContact O-N 3.18Å
368	E	87.2	Confident	89.1	Confident	97 Å²	97	66.6 Å²	66.6	45%	0.453	32%	0.324	S	S	.	.	S	Bend	trans	-83.3	141.4	-179.4	-65	-74.1	173.8	0	0	112.3	H365 Y370 F371	H365-E368 HydrophobicContact CB-CG 4.26Å; H365-E368 VanDerWaalsContact O-CB 3.31Å; H365-E368 WeakPolarHBondContact O-CB 3.38Å; H365-E368 PolarHBondContact O-N 3.4Å; E368-Y370 HydrophobicContact CB-CD1 3.82Å; E368-Y370 HydrophobicContact CB-CE1 3.44Å; E368-Y370 VanDerWaalsContact CB-CE1 3.44Å; E368-Y370 HydrophobicContact CB-CE2 4.46Å; E368-Y370 HydrophobicContact CB-CG 4.48Å; E368-Y370 HydrophobicContact CG-CE1 3.77Å; E368-Y370 PolarHBondContact O-N 2.72Å; E368-Y370 VanDerWaalsContact O-N 3.08Å; E368-F371 WeakPolarHBondContact O-CB 3.38Å; E368-F371 PolarHBondContact O-N 3.23Å
369	D	86.3	Confident	89.1	Confident	165 Å²	165	68.6 Å²	68.6	88%	0.882	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-27.4	-176.8	-74.5	-29.6	0	0	0	113.8	P372	D369-P372 WeakPolarHBondContact O-CD 3.37Å
370	Y	84.6	Confident	89.1	Confident	90 Å²	90	67.6 Å²	67.6	35%	0.353	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-10	178.6	65.5	-93.9	0	0	0	113.6	H365 E368 A373 L374 I428	H365-Y370 PolarHBondContact ND1-OH 3.29Å; E368-Y370 HydrophobicContact CB-CD1 3.82Å; E368-Y370 HydrophobicContact CB-CE1 3.44Å; E368-Y370 VanDerWaalsContact CB-CE1 3.44Å; E368-Y370 HydrophobicContact CB-CE2 4.46Å; E368-Y370 HydrophobicContact CB-CG 4.48Å; E368-Y370 HydrophobicContact CG-CE1 3.77Å; E368-Y370 PolarHBondContact O-N 2.72Å; E368-Y370 VanDerWaalsContact O-N 3.08Å; Y370-A373 WeakPolarHBondContact O-CB 3.46Å; Y370-A373 PolarHBondContact O-N 3.49Å; Y370-A373 VanDerWaalsContact O-N 3.15Å; Y370-L374 PolarHBondContact O-N 2.79Å; Y370-I428 HydrophobicContact CD2-CG2 4.39Å
371	F	89.8	Confident	89.1	Confident	9 Å²	9	61.8 Å²	61.8	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-40	-175.9	-173.8	-96.1	0	0	0	114.1	K359 H365 V366 E368 A373 L374 M375	K359-F371 HydrophobicContact CG-CE1 4.14Å; K359-F371 HydrophobicContact CG-CZ 3.99Å; H365-F371 HydrophobicContact CB-CD2 3.96Å; H365-F371 HydrophobicContact CB-CE2 4.5Å; H365-F371 WeakPolarHBondContact O-CB 3.06Å; H365-F371 WeakPolarHBondContact O-CD2 3.48Å; H365-F371 WeakPolarHBondContact O-CG 3.15Å; V366-F371 HydrophobicContact CG2-CE1 4.29Å; V366-F371 HydrophobicContact CG2-CE2 4.06Å; V366-F371 HydrophobicContact CG2-CZ 3.84Å; E368-F371 WeakPolarHBondContact O-CB 3.38Å; E368-F371 PolarHBondContact O-N 3.23Å; F371-A373 VanDerWaalsContact C-N 3.27Å; F371-A373 PolarHBondContact O-N 3.34Å; F371-L374 HydrophobicContact CD2-CD2 4.17Å; F371-L374 HydrophobicContact CE2-CD2 4.48Å; F371-L374 WeakPolarHBondContact O-CB 3.13Å; F371-L374 PolarHBondContact O-N 3.43Å; F371-M375 HydrophobicContact CE1-CB 4.37Å; F371-M375 HydrophobicContact CE1-SD 4.27Å; F371-M375 WeakPolarHBondContact O-CB 3.49Å; F371-M375 PolarHBondContact O-N 3.45Å
372	P	90.5	Very high	89	Confident	82 Å²	82	64 Å²	64	53%	0.532	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-36.2	176.2	-25.5	36.1	0	0	0	113.3	D369 R376	D369-P372 WeakPolarHBondContact O-CD 3.37Å; P372-R376 PolarHBondContact O-N 2.82Å; P372-R376 VanDerWaalsContact O-N 3.12Å
373	A	87.6	Confident	89.2	Confident	23 Å²	23	63.5 Å²	63.5	19%	0.19	33%	0.327	C	S	.	.	H	α-helix	trans	-70.5	-42.3	175.7	0	0	0	0	0	111.4	Y370 F371 M375 R376 N377 P427	Y370-A373 WeakPolarHBondContact O-CB 3.46Å; Y370-A373 PolarHBondContact O-N 3.49Å; Y370-A373 VanDerWaalsContact O-N 3.15Å; F371-A373 VanDerWaalsContact C-N 3.27Å; F371-A373 PolarHBondContact O-N 3.34Å; A373-M375 PolarHBondContact O-N 3.41Å; A373-R376 PolarHBondContact O-N 2.63Å; A373-N377 WeakPolarHBondContact O-CB 3.25Å; A373-N377 PolarHBondContact O-N 3.25Å; A373-P427 HydrophobicContact CB-CG 4.28Å
374	L	89.4	Confident	89.4	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-56.8	-48.5	172.6	174.2	64.4	0	0	0	111.6	R323 Y362 Y370 F371 R376 N377 M378 I428	R323-L374 VanDerWaalsContact NH2-CD1 3.32Å; Y362-L374 HydrophobicContact CD1-CD2 4.14Å; Y362-L374 HydrophobicContact CD2-CD2 3.86Å; Y362-L374 HydrophobicContact CD2-CG 4.4Å; Y362-L374 HydrophobicContact CE1-CD2 4.33Å; Y362-L374 HydrophobicContact CE2-CD1 4.2Å; Y362-L374 HydrophobicContact CE2-CD2 4.06Å; Y362-L374 HydrophobicContact CE2-CG 4.32Å; Y362-L374 HydrophobicContact CG-CD2 3.9Å; Y370-L374 PolarHBondContact O-N 2.79Å; F371-L374 HydrophobicContact CD2-CD2 4.17Å; F371-L374 HydrophobicContact CE2-CD2 4.48Å; F371-L374 WeakPolarHBondContact O-CB 3.13Å; F371-L374 PolarHBondContact O-N 3.43Å; L374-R376 PolarHBondContact O-N 3.13Å; L374-N377 PolarHBondContact O-N 3.49Å; L374-M378 HydrophobicContact CD1-CG 3.82Å; L374-M378 HydrophobicContact CD1-SD 4.44Å; L374-M378 HydrophobicContact CG-CG 4.3Å; L374-M378 WeakPolarHBondContact O-CB 3.47Å; L374-M378 VanDerWaalsContact O-CG 3.26Å; L374-M378 WeakPolarHBondContact O-CG 3.43Å; L374-M378 PolarHBondContact O-N 2.87Å; L374-I428 HydrophobicContact CD1-CD1 4.38Å
375	M	91.8	Very high	89.7	Confident	38 Å²	38	53.4 Å²	53.4	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-60	-48.2	-179.6	-175	175.1	67.4	0	0	111.4	E355 V358 F371 A373 N377 M378 T379	E355-M375 HydrophobicContact CB-SD 4.2Å; E355-M375 HydrophobicContact CG-CG 4.36Å; E355-M375 HydrophobicContact CG-SD 4.14Å; V358-M375 HydrophobicContact CG1-CB 4.42Å; V358-M375 HydrophobicContact CG1-CG 4.36Å; F371-M375 HydrophobicContact CE1-CB 4.37Å; F371-M375 HydrophobicContact CE1-SD 4.27Å; F371-M375 WeakPolarHBondContact O-CB 3.49Å; F371-M375 PolarHBondContact O-N 3.45Å; A373-M375 PolarHBondContact O-N 3.41Å; M375-N377 VanDerWaalsContact C-N 3.29Å; M375-N377 PolarHBondContact O-N 3.01Å; M375-M378 PolarHBondContact O-N 3.3Å; M375-T379 WeakPolarHBondContact O-CG2 3.24Å; M375-T379 PolarHBondContact O-N 3.03Å; M375-T379 VanDerWaalsContact O-N 3.09Å; M375-T379 PolarHBondContact O-OG1 2.89Å
376	R	90.4	Very high	90	Very high	163 Å²	163	50.7 Å²	50.7	62%	0.615	27%	0.268	S	S	*	.	H	α-helix	trans	-58.9	-40	176.2	-174.3	-177.6	68.6	-171	1.5	112.3	P372 A373 L374 T379 S380	P372-R376 PolarHBondContact O-N 2.82Å; P372-R376 VanDerWaalsContact O-N 3.12Å; A373-R376 PolarHBondContact O-N 2.63Å; L374-R376 PolarHBondContact O-N 3.13Å; R376-T379 PolarHBondContact O-OG1 2.83Å; R376-S380 WeakPolarHBondContact O-CB 3.21Å; R376-S380 PolarHBondContact O-N 3.45Å
377	N	89.3	Confident	90.2	Very high	8 Å²	8	48 Å²	48	4%	0.043	25%	0.252	C	S	.	.	H	α-helix	trans	-67.8	-47.8	179.6	-174.8	-97.7	0	0	0	111.4	R323 P324 D325 A373 L374 M375 T379 S380 I428	R323-N377 WeakPolarHBondContact CB-OD1 3.2Å; R323-N377 WeakPolarHBondContact CD-OD1 3.12Å; P324-N377 WeakPolarHBondContact CG-O 3.33Å; D325-N377 PolarHBondContact OD2-ND2 2.94Å; A373-N377 WeakPolarHBondContact O-CB 3.25Å; A373-N377 PolarHBondContact O-N 3.25Å; L374-N377 PolarHBondContact O-N 3.49Å; M375-N377 VanDerWaalsContact C-N 3.29Å; M375-N377 PolarHBondContact O-N 3.01Å; N377-T379 VanDerWaalsContact C-N 3.28Å; N377-T379 PolarHBondContact O-N 3.41Å; N377-S380 WeakPolarHBondContact O-CB 3.31Å; N377-S380 PolarHBondContact O-N 3.27Å; N377-S380 PolarHBondContact O-OG 3.48Å; N377-I428 HydrophobicContact CB-CD1 3.57Å
378	M	91.3	Very high	90.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.1	-26.8	-177.9	-69.1	-63.7	-63.4	0	0	113.6	L321 R323 L353 V358 Y362 L374 M375 V383	L321-M378 HydrophobicContact CD1-CE 4.18Å; L321-M378 HydrophobicContact CD2-CE 3.77Å; L321-M378 HydrophobicContact CD2-SD 4.09Å; R323-M378 HydrophobicContact CG-SD 3.78Å; L353-M378 HydrophobicContact CD1-CE 3.53Å; V358-M378 HydrophobicContact CG1-CB 4.2Å; V358-M378 HydrophobicContact CG1-CG 4.46Å; V358-M378 HydrophobicContact CG2-CB 3.71Å; Y362-M378 HydrophobicContact CE2-CE 4.04Å; Y362-M378 HydrophobicContact CE2-CG 4.13Å; Y362-M378 HydrophobicContact CE2-SD 4.3Å; L374-M378 HydrophobicContact CD1-CG 3.82Å; L374-M378 HydrophobicContact CD1-SD 4.44Å; L374-M378 HydrophobicContact CG-CG 4.3Å; L374-M378 WeakPolarHBondContact O-CB 3.47Å; L374-M378 VanDerWaalsContact O-CG 3.26Å; L374-M378 WeakPolarHBondContact O-CG 3.43Å; L374-M378 PolarHBondContact O-N 2.87Å; M375-M378 PolarHBondContact O-N 3.3Å; M378-V383 HydrophobicContact CE-CG1 4.08Å; M378-V383 HydrophobicContact CE-CG2 3.76Å; M378-V383 HydrophobicContact SD-CG2 4.3Å
379	T	92.9	Very high	90.4	Very high	41 Å²	41	36.2 Å²	36.2	25%	0.252	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-4.1	176.8	62	0	0	0	0	113.8	E355 V358 M375 R376 N377 G381	E355-T379 HydrophobicContact CG-CG2 4.19Å; V358-T379 HydrophobicContact CG2-CG2 4.03Å; M375-T379 WeakPolarHBondContact O-CG2 3.24Å; M375-T379 PolarHBondContact O-N 3.03Å; M375-T379 VanDerWaalsContact O-N 3.09Å; M375-T379 PolarHBondContact O-OG1 2.89Å; R376-T379 PolarHBondContact O-OG1 2.83Å; N377-T379 VanDerWaalsContact C-N 3.28Å; N377-T379 PolarHBondContact O-N 3.41Å; T379-G381 VanDerWaalsContact C-N 3.3Å; T379-G381 PolarHBondContact O-N 3.18Å
380	S	91.4	Very high	90.5	Very high	63 Å²	63	31.9 Å²	31.9	44%	0.441	17%	0.165	S	C	.	.	S	Bend	trans	-74	-17.2	-176.6	70.4	0	0	0	0	114.5	R376 N377	R376-S380 WeakPolarHBondContact O-CB 3.21Å; R376-S380 PolarHBondContact O-N 3.45Å; N377-S380 WeakPolarHBondContact O-CB 3.31Å; N377-S380 PolarHBondContact O-N 3.27Å; N377-S380 PolarHBondContact O-OG 3.48Å
381	G	90.5	Very high	90.4	Very high	4 Å²	4	33.8 Å²	33.8	4%	0.041	18%	0.175	C	C	.	.	S	Bend	trans	-178.6	-177.3	-175.8	0	0	0	0	0	112.6	P324 T379 V383	P324-G381 VanDerWaalsContact CG-O 3.27Å; P324-G381 WeakPolarHBondContact CG-O 3.33Å; T379-G381 VanDerWaalsContact C-N 3.3Å; T379-G381 PolarHBondContact O-N 3.18Å; G381-V383 PolarHBondContact O-N 2.89Å
382	P	91.1	Very high	90.1	Very high	57 Å²	57	34.7 Å²	34.7	37%	0.37	19%	0.187	S	C	.	.			trans	-71.1	130.1	-176.7	27.6	-33	0	0	0	110	M352	M352-P382 HydrophobicContact SD-CB 4.06Å; M352-P382 HydrophobicContact SD-CG 4.47Å
383	V	93.5	Very high	90	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.8	173.9	178.8	0	0	0	0	108.3	L321 I322 P324 E350 V351 L353 M378 G381	L321-V383 HydrophobicContact CD1-CG1 3.63Å; L321-V383 HydrophobicContact CD2-CG1 3.76Å; L321-V383 HydrophobicContact CG-CG1 3.42Å; L321-V383 VanDerWaalsContact CG-CG1 3.42Å; I322-V383 WeakPolarHBondContact O-CG1 3.31Å; P324-V383 HydrophobicContact CG-CG2 3.8Å; E350-V383 WeakPolarHBondContact CA-O 3.41Å; V351-V383 HydrophobicContact CG1-CB 4.47Å; V351-V383 PolarHBondContact N-O 3.49Å; V351-V383 PolarHBondContact O-N 3.48Å; L353-V383 HydrophobicContact CD1-CG2 4.17Å; M378-V383 HydrophobicContact CE-CG1 4.08Å; M378-V383 HydrophobicContact CE-CG2 3.76Å; M378-V383 HydrophobicContact SD-CG2 4.3Å; G381-V383 PolarHBondContact O-N 2.89Å
384	L	93.1	Very high	90.1	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	108.2	174.3	177.4	60.9	0	0	0	109.4	I322 A327 R331 Q348 E350 L386	I322-L384 HydrophobicContact CB-CB 4.26Å; I322-L384 HydrophobicContact CD1-CD2 4.13Å; I322-L384 PolarHBondContact N-O 3.02Å; I322-L384 PolarHBondContact O-N 3.17Å; A327-L384 HydrophobicContact CB-CB 4.41Å; R331-L384 HydrophobicContact CG-CD2 3.95Å; Q348-L384 HydrophobicContact CB-CD1 4.45Å; E350-L384 HydrophobicContact CG-CD1 3.85Å; L384-L386 HydrophobicContact CD1-CD2 3.9Å; L384-L386 HydrophobicContact CD2-CD2 4.25Å; L384-L386 HydrophobicContact CG-CD2 3.89Å; L384-L386 HydrophobicContact CG-CG 4.21Å
385	A	93.3	Very high	90	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.8	172.4	0	0	0	0	0	109.7	L319 Q348 K349 F447 F448	L319-A385 HydrophobicContact CD1-CB 4.3Å; Q348-A385 CarbonylContact C-O 3.56Å; Q348-A385 VanDerWaalsContact CA-O 3.32Å; Q348-A385 WeakPolarHBondContact CA-O 3.43Å; K349-A385 PolarHBondContact N-O 3.36Å; K349-A385 PolarHBondContact O-N 2.97Å; A385-F447 HydrophobicContact CB-CB 4.05Å; A385-F447 HydrophobicContact CB-CD1 3.78Å; A385-F447 HydrophobicContact CB-CD2 4.34Å; A385-F447 HydrophobicContact CB-CE1 4.32Å; A385-F447 HydrophobicContact CB-CG 3.8Å; A385-F448 HydrophobicContact CB-CE2 4.19Å; A385-F448 HydrophobicContact CB-CZ 4.01Å
386	L	92.2	Very high	90	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.4	-179.9	-54.7	174.2	0	0	0	109.4	A320 I322 L335 I338 V345 L347 Q348 L384 L388	A320-L386 HydrophobicContact CB-CB 4.2Å; A320-L386 PolarHBondContact N-O 3.4Å; A320-L386 PolarHBondContact O-N 2.8Å; I322-L386 HydrophobicContact CD1-CD1 4Å; L335-L386 HydrophobicContact CD2-CD1 3.62Å; L335-L386 HydrophobicContact CD2-CD2 4.27Å; I338-L386 HydrophobicContact CD1-CD1 3.75Å; V345-L386 HydrophobicContact CG1-CD2 4.11Å; L347-L386 CarbonylContact O-C 3.51Å; L347-L386 WeakPolarHBondContact O-CA 3.4Å; Q348-L386 HydrophobicContact CB-CD2 3.41Å; Q348-L386 VanDerWaalsContact CB-CD2 3.41Å; L384-L386 HydrophobicContact CD1-CD2 3.9Å; L384-L386 HydrophobicContact CD2-CD2 4.25Å; L384-L386 HydrophobicContact CG-CD2 3.89Å; L384-L386 HydrophobicContact CG-CG 4.21Å; L386-L388 HydrophobicContact CB-CD2 3.93Å; L386-L388 HydrophobicContact CB-CG 4.46Å; L386-L388 HydrophobicContact CD1-CD2 4.47Å
387	A	90.5	Very high	90.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	105.9	166.4	0	0	0	0	0	108.4	A346 L347 L444 F448	A346-A387 HydrophobicContact CB-CB 4.48Å; A346-A387 PolarHBondContact N-O 3.26Å; L347-A387 HydrophobicContact CB-CB 3.82Å; L347-A387 HydrophobicContact CD1-CB 4.47Å; L347-A387 HydrophobicContact CG-CB 4.37Å; L347-A387 PolarHBondContact N-O 3.08Å; L347-A387 PolarHBondContact O-N 3.15Å; A387-L444 HydrophobicContact CB-CD2 3.5Å; A387-F448 HydrophobicContact CB-CD2 4.21Å; A387-F448 HydrophobicContact CB-CE2 4.01Å
388	L	91.5	Very high	90.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.5	-179.7	-55.7	-173.4	0	0	0	110	R317 T318 A320 I338 F343 V345 L386 W397	R317-L388 CarbonylContact C-O 3.59Å; R317-L388 WeakPolarHBondContact CA-O 3.3Å; T318-L388 HydrophobicContact CG2-CB 3.91Å; T318-L388 PolarHBondContact N-O 3.1Å; T318-L388 PolarHBondContact O-N 3.42Å; A320-L388 HydrophobicContact CB-CD1 3.5Å; A320-L388 VanDerWaalsContact CB-CD1 3.5Å; A320-L388 HydrophobicContact CB-CD2 4.49Å; A320-L388 HydrophobicContact CB-CG 3.79Å; I338-L388 HydrophobicContact CD1-CD1 4.39Å; I338-L388 HydrophobicContact CD1-CD2 4.45Å; I338-L388 HydrophobicContact CG1-CD1 4.47Å; I338-L388 HydrophobicContact CG2-CD1 4.08Å; I338-L388 HydrophobicContact CG2-CD2 3.66Å; F343-L388 HydrophobicContact CB-CB 4.46Å; F343-L388 HydrophobicContact CD1-CB 3.69Å; F343-L388 HydrophobicContact CD1-CD1 4.16Å; F343-L388 HydrophobicContact CE1-CB 4.25Å; F343-L388 HydrophobicContact CE1-CD1 4.46Å; F343-L388 HydrophobicContact CG-CB 4.3Å; F343-L388 HydrophobicContact CG-CD1 4.22Å; V345-L388 HydrophobicContact CG2-CD2 3.84Å; L386-L388 HydrophobicContact CB-CD2 3.93Å; L386-L388 HydrophobicContact CB-CG 4.46Å; L386-L388 HydrophobicContact CD1-CD2 4.47Å; L388-W397 HydrophobicContact CD1-CD2 3.85Å; L388-W397 HydrophobicContact CD1-CE3 3.84Å; L388-W397 HydrophobicContact CD1-CG 4.37Å; L388-W397 HydrophobicContact CD1-CH2 4.44Å; L388-W397 HydrophobicContact CD1-CZ2 4.43Å; L388-W397 HydrophobicContact CD1-CZ3 4.15Å
389	A	87.8	Confident	90.1	Very high	10 Å²	10	37.4 Å²	37.4	8%	0.083	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.5	-178.2	0	0	0	0	0	110.1	V315 E316 R317 T344 A346	V315-A389 HydrophobicContact CG1-CB 3.65Å; E316-A389 WeakPolarHBondContact O-CA 2.99Å; R317-A389 HydrophobicContact CG-CB 4.25Å; T344-A389 PolarHBondContact N-O 3.18Å; T344-A389 PolarHBondContact O-N 3.5Å; A346-A389 HydrophobicContact CB-CB 4.09Å
390	R	87.8	Confident	90	Very high	75 Å²	75	37.1 Å²	37.1	28%	0.283	19%	0.192	S	C	.	.			trans	-167.3	156.6	177.4	-168.5	-177.5	-178.5	-85.7	6.9	110.2	V315 E316 S341 F343 G392 A393 H396	V315-R390 VanDerWaalsContact CG1-N 3.28Å; E316-R390 WeakPolarHBondContact CB-O 3.35Å; E316-R390 PolarHBondContact N-O 3.44Å; E316-R390 PolarHBondContact O-N 3.07Å; S341-R390 PolarHBondContact O-NE 2.9Å; F343-R390 HydrophobicContact CD1-CB 3.6Å; F343-R390 HydrophobicContact CD1-CG 4.41Å; F343-R390 HydrophobicContact CE1-CB 3.81Å; F343-R390 HydrophobicContact CG-CB 4.4Å; R390-G392 PolarHBondContact O-N 3.47Å; R390-A393 HydrophobicContact CB-CB 4.18Å; R390-A393 VanDerWaalsContact O-CB 3.3Å; R390-A393 WeakPolarHBondContact O-CB 3.42Å; R390-A393 PolarHBondContact O-N 3.04Å; R390-H396 PolarHBondContact NE-CD2 2.89Å; R390-H396 PolarHBondContact NH2-NE2 3.38Å
391	K	83.5	Confident	90	Very high	130 Å²	130	34.2 Å²	34.2	57%	0.565	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	126.3	163.4	-169.9	173.4	-172.5	167.5	0	110.9	E313 A393	E313-K391 VanDerWaalsContact CD-NZ 3.3Å; E313-K391 IonicContact OE1-NZ 3.15Å; E313-K391 PolarHBondContact OE1-NZ 3.29Å; E313-K391 IonicContact OE2-NZ 2.66Å; E313-K391 PolarHBondContact OE2-NZ 2.82Å; K391-A393 VanDerWaalsContact C-N 3.33Å
392	G	82.6	Confident	89.9	Confident	27 Å²	27	34.5 Å²	34.5	28%	0.278	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	29.6	-177.5	0	0	0	0	0	113.1	E316 R390 V394 H395 H396	E316-G392 VanDerWaalsContact OE2-C 3.26Å; E316-G392 WeakPolarHBondContact OE2-CA 3.46Å; E316-G392 PolarHBondContact OE2-N 3.01Å; R390-G392 PolarHBondContact O-N 3.47Å; G392-V394 PolarHBondContact O-N 2.87Å; G392-H395 PolarHBondContact O-N 3.02Å; G392-H396 VanDerWaalsContact O-CB 3.31Å; G392-H396 WeakPolarHBondContact O-CB 3.21Å; G392-H396 PolarHBondContact O-N 3.47Å
393	A	88.3	Confident	89.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-54.4	-47.1	-167.1	0	0	0	0	0	113.1	E316 T318 F343 R390 K391 H396 W397	E316-A393 HydrophobicContact CB-CB 4.08Å; E316-A393 HydrophobicContact CG-CB 4.16Å; E316-A393 WeakPolarHBondContact O-CB 3.48Å; E316-A393 PolarHBondContact OE2-N 3.31Å; T318-A393 HydrophobicContact CG2-CB 3.93Å; F343-A393 HydrophobicContact CE1-CB 4.03Å; R390-A393 HydrophobicContact CB-CB 4.18Å; R390-A393 VanDerWaalsContact O-CB 3.3Å; R390-A393 WeakPolarHBondContact O-CB 3.42Å; R390-A393 PolarHBondContact O-N 3.04Å; K391-A393 VanDerWaalsContact C-N 3.33Å; A393-H396 PolarHBondContact O-N 3.05Å; A393-W397 WeakPolarHBondContact O-CB 3.38Å; A393-W397 PolarHBondContact O-N 3.45Å
394	V	89.6	Confident	89.4	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-51.7	-177	176.2	0	0	0	0	110.8	E316 G392 H396 W397 K398 P437 A440	E316-V394 WeakPolarHBondContact OE1-CB 3.44Å; E316-V394 WeakPolarHBondContact OE1-CG2 3.21Å; E316-V394 PolarHBondContact OE1-N 3.46Å; E316-V394 VanDerWaalsContact OE1-N 3.1Å; G392-V394 PolarHBondContact O-N 2.87Å; V394-H396 PolarHBondContact O-N 3.4Å; V394-W397 PolarHBondContact O-N 3.26Å; V394-K398 WeakPolarHBondContact O-CB 3.3Å; V394-K398 PolarHBondContact O-N 3.36Å; V394-P437 HydrophobicContact CG2-CG 4.49Å; V394-A440 HydrophobicContact CG2-CB 3.75Å
395	H	87.6	Confident	89	Confident	125 Å²	125	40.6 Å²	40.6	58%	0.579	21%	0.21	S	C	*	.	H	α-helix	trans	-62.4	-43.1	-179.9	176.6	-102.6	0	0	0	111.9	G392 N399	G392-H395 PolarHBondContact O-N 3.02Å; H395-N399 PolarHBondContact CE1-ND2 3.36Å; H395-N399 PolarHBondContact NE2-ND2 2.8Å; H395-N399 PolarHBondContact O-N 3.34Å; H395-N399 VanDerWaalsContact O-N 3.08Å; H395-N399 PolarHBondContact O-ND2 3.25Å; H395-N399 PolarHBondContact O-OD1 3.19Å
396	H	90.8	Very high	88.6	Confident	50 Å²	50	41.6 Å²	41.6	23%	0.231	22%	0.216	C	C	.	.	H	α-helix	trans	-67.2	-41.3	-178.9	-160.1	61.9	0	0	0	111.9	S341 F343 R390 G392 A393 V394 N399 I400	S341-H396 PolarHBondContact O-NE2 3.48Å; F343-H396 AromaticContact CE2-CD2 3.57Å; F343-H396 HydrophobicContact CZ-CB 3.94Å; F343-H396 AromaticContact CZ-CD2 3.75Å; R390-H396 PolarHBondContact NE-CD2 2.89Å; R390-H396 PolarHBondContact NH2-NE2 3.38Å; G392-H396 VanDerWaalsContact O-CB 3.31Å; G392-H396 WeakPolarHBondContact O-CB 3.21Å; G392-H396 PolarHBondContact O-N 3.47Å; A393-H396 PolarHBondContact O-N 3.05Å; V394-H396 PolarHBondContact O-N 3.4Å; H396-N399 PolarHBondContact O-N 3.24Å; H396-I400 WeakPolarHBondContact O-CD1 3.46Å; H396-I400 WeakPolarHBondContact O-CG1 3.46Å; H396-I400 PolarHBondContact O-N 2.96Å; H396-I400 VanDerWaalsContact O-N 3.12Å
397	W	93.8	Very high	88.3	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-44.2	178.9	-177.4	-127	0	0	0	111.2	T318 A320 I338 F343 L388 A393 V394 N399 I400 L401 L417	T318-W397 HydrophobicContact CG2-CB 3.82Å; T318-W397 HydrophobicContact CG2-CG 4.09Å; A320-W397 HydrophobicContact CB-CD2 4.39Å; A320-W397 VanDerWaalsContact CB-CE2 3.48Å; A320-W397 HydrophobicContact CB-CH2 4.29Å; A320-W397 HydrophobicContact CB-CZ2 3.43Å; A320-W397 VanDerWaalsContact CB-CZ2 3.43Å; I338-W397 HydrophobicContact CD1-CH2 3.89Å; I338-W397 HydrophobicContact CD1-CZ3 4.25Å; I338-W397 HydrophobicContact CG1-CH2 3.74Å; I338-W397 HydrophobicContact CG1-CZ3 3.62Å; F343-W397 HydrophobicContact CE1-CB 4.29Å; F343-W397 HydrophobicContact CE2-CE3 4.08Å; F343-W397 HydrophobicContact CZ-CB 3.78Å; F343-W397 HydrophobicContact CZ-CE3 4.34Å; L388-W397 HydrophobicContact CD1-CD2 3.85Å; L388-W397 HydrophobicContact CD1-CE3 3.84Å; L388-W397 HydrophobicContact CD1-CG 4.37Å; L388-W397 HydrophobicContact CD1-CH2 4.44Å; L388-W397 HydrophobicContact CD1-CZ2 4.43Å; L388-W397 HydrophobicContact CD1-CZ3 4.15Å; A393-W397 WeakPolarHBondContact O-CB 3.38Å; A393-W397 PolarHBondContact O-N 3.45Å; V394-W397 PolarHBondContact O-N 3.26Å; W397-N399 VanDerWaalsContact C-N 3.3Å; W397-N399 PolarHBondContact O-N 3.39Å; W397-I400 PolarHBondContact O-N 2.91Å; W397-L401 HydrophobicContact CD2-CD1 4.3Å; W397-L401 HydrophobicContact CD2-CG 4.14Å; W397-L401 HydrophobicContact CG-CD1 4.29Å; W397-L401 HydrophobicContact CH2-CD2 4.17Å; W397-L401 HydrophobicContact CZ2-CD1 4.25Å; W397-L401 HydrophobicContact CZ2-CD2 3.68Å; W397-L401 HydrophobicContact CZ2-CG 3.97Å; W397-L401 WeakPolarHBondContact O-CB 3.48Å; W397-L401 WeakPolarHBondContact O-CG 3.44Å; W397-L401 PolarHBondContact O-N 2.71Å; W397-L417 HydrophobicContact CH2-CD1 3.61Å; W397-L417 HydrophobicContact CZ3-CD1 3.68Å
398	K	90.7	Very high	88.1	Confident	106 Å²	106	54 Å²	54	46%	0.461	27%	0.272	S	S	.	.	H	α-helix	trans	-57.5	-41.8	175.1	-172.6	175.9	-175.4	172.7	0	112.5	V394 L401 G402 A435	V394-K398 WeakPolarHBondContact O-CB 3.3Å; V394-K398 PolarHBondContact O-N 3.36Å; K398-L401 PolarHBondContact O-N 3.17Å; K398-G402 PolarHBondContact O-N 2.97Å; K398-G402 VanDerWaalsContact O-N 3.1Å; K398-A435 PolarHBondContact NZ-O 2.99Å
399	N	89.3	Confident	88	Confident	86 Å²	86	54 Å²	54	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-39.7	178.5	-70.1	-8.8	0	0	0	112.3	H395 H396 W397	H395-N399 PolarHBondContact CE1-ND2 3.36Å; H395-N399 PolarHBondContact NE2-ND2 2.8Å; H395-N399 PolarHBondContact O-N 3.34Å; H395-N399 VanDerWaalsContact O-N 3.08Å; H395-N399 PolarHBondContact O-ND2 3.25Å; H395-N399 PolarHBondContact O-OD1 3.19Å; H396-N399 PolarHBondContact O-N 3.24Å; W397-N399 VanDerWaalsContact C-N 3.3Å; W397-N399 PolarHBondContact O-N 3.39Å
400	I	90.9	Very high	87.9	Confident	36 Å²	36	58.9 Å²	58.9	19%	0.185	29%	0.291	C	S	.	.	H	α-helix	trans	-73.5	-33.2	178.9	-65.7	158.8	0	0	0	111.5	F343 H396 W397 L417	F343-I400 HydrophobicContact CE2-CD1 3.79Å; H396-I400 WeakPolarHBondContact O-CD1 3.46Å; H396-I400 WeakPolarHBondContact O-CG1 3.46Å; H396-I400 PolarHBondContact O-N 2.96Å; H396-I400 VanDerWaalsContact O-N 3.12Å; W397-I400 PolarHBondContact O-N 2.91Å; I400-L417 HydrophobicContact CG2-CD1 3.56Å; I400-L417 HydrophobicContact CG2-CD2 4.43Å; I400-L417 HydrophobicContact CG2-CG 3.68Å; I400-L417 PolarHBondContact O-N 3.37Å
401	L	91.6	Very high	88	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-40.3	174.1	-79	177.7	0	0	0	112.6	W397 K398 C416 L417 R418 L431	W397-L401 HydrophobicContact CD2-CD1 4.3Å; W397-L401 HydrophobicContact CD2-CG 4.14Å; W397-L401 HydrophobicContact CG-CD1 4.29Å; W397-L401 HydrophobicContact CH2-CD2 4.17Å; W397-L401 HydrophobicContact CZ2-CD1 4.25Å; W397-L401 HydrophobicContact CZ2-CD2 3.68Å; W397-L401 HydrophobicContact CZ2-CG 3.97Å; W397-L401 WeakPolarHBondContact O-CB 3.48Å; W397-L401 WeakPolarHBondContact O-CG 3.44Å; W397-L401 PolarHBondContact O-N 2.71Å; K398-L401 PolarHBondContact O-N 3.17Å; L401-C416 PolarHBondContact O-SG 3.3Å; L401-L417 HydrophobicContact CD2-CB 4.39Å; L401-L417 HydrophobicContact CD2-CD1 4.42Å; L401-R418 HydrophobicContact CB-CG 4.48Å; L401-R418 HydrophobicContact CD2-CG 4.39Å; L401-R418 VanDerWaalsContact O-CB 3.25Å; L401-R418 WeakPolarHBondContact O-CB 3.15Å; L401-R418 WeakPolarHBondContact O-CD 3.33Å; L401-R418 WeakPolarHBondContact O-CG 3.16Å; L401-R418 PolarHBondContact O-N 2.77Å; L401-R418 VanDerWaalsContact O-N 3.13Å; L401-L431 HydrophobicContact CD2-CB 3.44Å; L401-L431 VanDerWaalsContact CD2-CB 3.44Å; L401-L431 HydrophobicContact CD2-CD1 3.99Å; L401-L431 HydrophobicContact CD2-CG 4.36Å
402	G	87.9	Confident	88.3	Confident	10 Å²	10	63.6 Å²	63.6	10%	0.103	32%	0.318	C	S	.	.			trans	78.6	-175.4	-173.3	0	0	0	0	0	113.5	K398 R418	K398-G402 PolarHBondContact O-N 2.97Å; K398-G402 VanDerWaalsContact O-N 3.1Å; G402-R418 PolarHBondContact O-NH1 2.91Å
403	P	88.1	Confident	88.5	Confident	29 Å²	29	65.4 Å²	65.4	19%	0.188	32%	0.321	C	S	.	.			trans	-53.9	144	-178.2	-25.9	33.5	0	0	0	113.4	D405 K408 A409 R418	P403-D405 VanDerWaalsContact C-N 3.27Å; P403-D405 PolarHBondContact O-N 2.76Å; P403-K408 HydrophobicContact CB-CB 3.98Å; P403-K408 HydrophobicContact CG-CB 4.38Å; P403-A409 HydrophobicContact CB-CB 4.4Å; P403-R418 WeakPolarHBondContact O-CD 3.2Å
404	P	85.6	Confident	88.5	Confident	86 Å²	86	69 Å²	69	56%	0.558	35%	0.345	S	S	*	.	S	Bend	trans	-69.8	-25.9	179.5	27.7	-34.1	0	0	0	113.3	R418 N429	P404-R418 VanDerWaalsContact CA-NH1 3.31Å; P404-N429 PolarHBondContact O-ND2 3.19Å
405	D	85.4	Confident	88.5	Confident	72 Å²	72	74.9 Å²	74.9	39%	0.385	37%	0.372	S	S	.	.	S	Bend	trans	-78.9	122.3	173.5	-178.1	-57	0	0	0	109.7	P403 H407 K408 A409	P403-D405 VanDerWaalsContact C-N 3.27Å; P403-D405 PolarHBondContact O-N 2.76Å; D405-H407 VanDerWaalsContact C-N 3.31Å; D405-H407 PolarHBondContact O-N 2.8Å; D405-H407 WeakPolarHBondContact OD1-CA 3.31Å; D405-H407 VanDerWaalsContact OD1-CB 3.3Å; D405-H407 WeakPolarHBondContact OD1-CB 3.38Å; D405-H407 PolarHBondContact OD1-N 3.24Å; D405-K408 HydrophobicContact CB-CB 4.12Å; D405-K408 HydrophobicContact CB-CD 4.16Å; D405-K408 HydrophobicContact CB-CG 4.1Å; D405-K408 PolarHBondContact O-N 2.98Å; D405-K408 PolarHBondContact OD1-N 3.29Å; D405-A409 WeakPolarHBondContact O-CB 3.42Å; D405-A409 PolarHBondContact O-N 2.67Å
406	L	84.8	Confident	88.7	Confident	21 Å²	21	69 Å²	69	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-66	-30.4	-176.4	-72	177.2	0	0	0	113.5	K410 R418 A422 N429	L406-K410 WeakPolarHBondContact O-CB 3.4Å; L406-K410 VanDerWaalsContact O-CG 3.29Å; L406-K410 WeakPolarHBondContact O-CG 3.5Å; L406-K410 PolarHBondContact O-N 2.82Å; L406-K410 VanDerWaalsContact O-N 3.1Å; L406-R418 HydrophobicContact CD2-CB 4.48Å; L406-R418 WeakPolarHBondContact CD2-O 3.36Å; L406-A422 HydrophobicContact CD2-CB 4.02Å; L406-N429 HydrophobicContact CD2-CB 4.04Å; L406-N429 HydrophobicContact CG-CB 4.43Å
407	H	85.7	Confident	88.7	Confident	153 Å²	153	66.9 Å²	66.9	71%	0.708	34%	0.335	S	S	*	.	H	α-helix	trans	-70.4	-48	176.2	-72.7	-82.6	0	0	0	110.3	D405 A409 K410 E411	D405-H407 VanDerWaalsContact C-N 3.31Å; D405-H407 PolarHBondContact O-N 2.8Å; D405-H407 WeakPolarHBondContact OD1-CA 3.31Å; D405-H407 VanDerWaalsContact OD1-CB 3.3Å; D405-H407 WeakPolarHBondContact OD1-CB 3.38Å; D405-H407 PolarHBondContact OD1-N 3.24Å; H407-A409 VanDerWaalsContact C-N 3.33Å; H407-A409 PolarHBondContact O-N 2.89Å; H407-K410 PolarHBondContact O-N 2.78Å; H407-E411 PolarHBondContact O-N 3.31Å
408	K	87.1	Confident	88.6	Confident	110 Å²	110	67.9 Å²	67.9	48%	0.478	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-41.8	175.9	-66.3	-174	-179.2	177.6	0	111.8	P403 D405 K410 E411 E412	P403-K408 HydrophobicContact CB-CB 3.98Å; P403-K408 HydrophobicContact CG-CB 4.38Å; D405-K408 HydrophobicContact CB-CB 4.12Å; D405-K408 HydrophobicContact CB-CD 4.16Å; D405-K408 HydrophobicContact CB-CG 4.1Å; D405-K408 PolarHBondContact O-N 2.98Å; D405-K408 PolarHBondContact OD1-N 3.29Å; K408-K410 VanDerWaalsContact C-N 3.32Å; K408-K410 PolarHBondContact O-N 2.91Å; K408-E411 PolarHBondContact O-N 2.75Å; K408-E412 VanDerWaalsContact O-CB 3.31Å; K408-E412 WeakPolarHBondContact O-CB 3.25Å; K408-E412 WeakPolarHBondContact O-CG 3.03Å; K408-E412 PolarHBondContact O-N 2.82Å
409	A	88.2	Confident	88.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58	-45.3	176	0	0	0	0	0	111.6	P403 D405 H407 E411 D413 R418 A419	P403-A409 HydrophobicContact CB-CB 4.4Å; D405-A409 WeakPolarHBondContact O-CB 3.42Å; D405-A409 PolarHBondContact O-N 2.67Å; H407-A409 VanDerWaalsContact C-N 3.33Å; H407-A409 PolarHBondContact O-N 2.89Å; A409-E411 PolarHBondContact O-N 2.83Å; A409-D413 CarbonylContact O-C 3.54Å; A409-D413 PolarHBondContact O-N 3.48Å; A409-R418 HydrophobicContact CB-CB 4.43Å; A409-A419 HydrophobicContact CB-CB 4.3Å
410	K	87	Confident	88.6	Confident	111 Å²	111	63.8 Å²	63.8	48%	0.483	32%	0.32	S	S	.	.	H	α-helix	trans	-70	-28.6	178.6	-73.3	176.9	-178.7	-176.8	0	114	L406 H407 K408 P414 A419	L406-K410 WeakPolarHBondContact O-CB 3.4Å; L406-K410 VanDerWaalsContact O-CG 3.29Å; L406-K410 WeakPolarHBondContact O-CG 3.5Å; L406-K410 PolarHBondContact O-N 2.82Å; L406-K410 VanDerWaalsContact O-N 3.1Å; H407-K410 PolarHBondContact O-N 2.78Å; K408-K410 VanDerWaalsContact C-N 3.32Å; K408-K410 PolarHBondContact O-N 2.91Å; K410-P414 WeakPolarHBondContact O-CG 3.44Å; K410-A419 HydrophobicContact CG-CB 4.11Å
411	E	89.1	Confident	88.5	Confident	167 Å²	167	62.8 Å²	62.8	78%	0.78	31%	0.314	S	S	*	.	H	α-helix	trans	-83.2	-47.6	177.3	-91.6	-173.7	156.1	0	0	113.1	H407 K408 A409	H407-E411 PolarHBondContact O-N 3.31Å; K408-E411 PolarHBondContact O-N 2.75Å; A409-E411 PolarHBondContact O-N 2.83Å
412	E	89.3	Confident	88.2	Confident	137 Å²	137	63.9 Å²	63.9	64%	0.64	32%	0.323	S	S	*	.	H	α-helix	trans	-81.9	-40.9	-172	-64.2	177.6	-167.9	0	0	112.1	K408	K408-E412 VanDerWaalsContact O-CB 3.31Å; K408-E412 WeakPolarHBondContact O-CB 3.25Å; K408-E412 WeakPolarHBondContact O-CG 3.03Å; K408-E412 PolarHBondContact O-N 2.82Å
413	D	87.9	Confident	88	Confident	65 Å²	65	65.9 Å²	65.9	35%	0.348	33%	0.334	S	S	.	.			trans	-147.8	82.6	-179.6	-173.8	5.3	0	0	0	112	A409 E415 C416	A409-D413 CarbonylContact O-C 3.54Å; A409-D413 PolarHBondContact O-N 3.48Å; D413-E415 PolarHBondContact O-N 3.43Å; D413-E415 PolarHBondContact OD1-N 2.85Å; D413-C416 HydrophobicContact CB-CB 4.18Å; D413-C416 WeakPolarHBondContact O-CB 3.01Å; D413-C416 PolarHBondContact O-N 3.49Å; D413-C416 PolarHBondContact O-SG 3.07Å; D413-C416 PolarHBondContact OD1-N 2.87Å
414	P	88.9	Confident	87.3	Confident	76 Å²	76	72.5 Å²	72.5	49%	0.494	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.7	178.7	-20	27.8	0	0	0	114.3	K410 A419	K410-P414 WeakPolarHBondContact O-CG 3.44Å; P414-A419 WeakPolarHBondContact O-CB 3.42Å
415	E	88.5	Confident	86.6	Confident	128 Å²	128	76 Å²	76	60%	0.598	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-6.9	-177	-68.3	-64.6	132.1	0	0	113.3	D413 K420	D413-E415 PolarHBondContact O-N 3.43Å; D413-E415 PolarHBondContact OD1-N 2.85Å; E415-K420 WeakPolarHBondContact O-CD 3.33Å; E415-K420 VanDerWaalsContact O-CE 3.27Å; E415-K420 WeakPolarHBondContact O-CE 3.27Å; E415-K420 PolarHBondContact O-NZ 3.16Å; E415-K420 WeakPolarHBondContact OE2-CE 3.37Å; E415-K420 IonicContact OE2-NZ 3.17Å; E415-K420 PolarHBondContact OE2-NZ 3.38Å
416	C	91.5	Very high	86.2	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.02	37%	0.368	C	S	.	.	S	Bend	trans	-65.2	156.2	175.5	76.5	0	0	0	0	111.7	L401 D413 R418 A419 K420	L401-C416 PolarHBondContact O-SG 3.3Å; D413-C416 HydrophobicContact CB-CB 4.18Å; D413-C416 WeakPolarHBondContact O-CB 3.01Å; D413-C416 PolarHBondContact O-N 3.49Å; D413-C416 PolarHBondContact O-SG 3.07Å; D413-C416 PolarHBondContact OD1-N 2.87Å; C416-R418 VanDerWaalsContact C-N 3.3Å; C416-R418 PolarHBondContact O-N 3.09Å; C416-A419 PolarHBondContact O-N 3.02Å; C416-A419 VanDerWaalsContact SG-CB 3.56Å; C416-A419 PolarHBondContact SG-N 2.99Å; C416-A419 VanDerWaalsContact SG-N 3.43Å; C416-K420 PolarHBondContact O-N 3.2Å
417	L	91.3	Very high	85.7	Confident	5 Å²	5	78.2 Å²	78.2	3%	0.026	39%	0.391	C	S	.	.	H	α-helix	trans	-63	-35.9	-174.9	-61.8	178.9	0	0	0	112.4	Q337 W397 I400 L401 A419 K420 F421 L431	Q337-L417 HydrophobicContact CB-CD2 4.09Å; Q337-L417 HydrophobicContact CG-CD2 4.22Å; W397-L417 HydrophobicContact CH2-CD1 3.61Å; W397-L417 HydrophobicContact CZ3-CD1 3.68Å; I400-L417 HydrophobicContact CG2-CD1 3.56Å; I400-L417 HydrophobicContact CG2-CD2 4.43Å; I400-L417 HydrophobicContact CG2-CG 3.68Å; I400-L417 PolarHBondContact O-N 3.37Å; L401-L417 HydrophobicContact CD2-CB 4.39Å; L401-L417 HydrophobicContact CD2-CD1 4.42Å; L417-A419 PolarHBondContact O-N 2.87Å; L417-K420 PolarHBondContact O-N 3.1Å; L417-F421 HydrophobicContact CB-CD2 4.31Å; L417-F421 HydrophobicContact CD2-CD2 4.4Å; L417-F421 HydrophobicContact CD2-CE2 3.88Å; L417-F421 VanDerWaalsContact O-CD2 3.29Å; L417-F421 WeakPolarHBondContact O-CD2 3.48Å; L417-F421 PolarHBondContact O-N 2.91Å; L417-L431 HydrophobicContact CB-CD1 3.51Å; L417-L431 HydrophobicContact CD1-CD1 4.32Å
418	R	91.8	Very high	85.6	Confident	22 Å²	22	71.3 Å²	71.3	8%	0.083	36%	0.36	C	S	.	.	H	α-helix	trans	-67.3	-34.9	178.2	-73	176.1	170.1	156.4	-6.4	112.8	L401 G402 P403 P404 L406 A409 C416 A422 N429 L431	L401-R418 HydrophobicContact CB-CG 4.48Å; L401-R418 HydrophobicContact CD2-CG 4.39Å; L401-R418 VanDerWaalsContact O-CB 3.25Å; L401-R418 WeakPolarHBondContact O-CB 3.15Å; L401-R418 WeakPolarHBondContact O-CD 3.33Å; L401-R418 WeakPolarHBondContact O-CG 3.16Å; L401-R418 PolarHBondContact O-N 2.77Å; L401-R418 VanDerWaalsContact O-N 3.13Å; G402-R418 PolarHBondContact O-NH1 2.91Å; P403-R418 WeakPolarHBondContact O-CD 3.2Å; P404-R418 VanDerWaalsContact CA-NH1 3.31Å; L406-R418 HydrophobicContact CD2-CB 4.48Å; L406-R418 WeakPolarHBondContact CD2-O 3.36Å; A409-R418 HydrophobicContact CB-CB 4.43Å; C416-R418 VanDerWaalsContact C-N 3.3Å; C416-R418 PolarHBondContact O-N 3.09Å; R418-A422 PolarHBondContact O-N 2.89Å; R418-N429 HydrophobicContact CG-CB 4.14Å; R418-L431 PolarHBondContact NE-O 3.1Å; R418-L431 PolarHBondContact NH2-O 3.22Å
419	A	89.6	Confident	85.6	Confident	13 Å²	13	67 Å²	67	11%	0.107	34%	0.342	C	S	.	.	H	α-helix	trans	-71.7	-43.1	175.3	0	0	0	0	0	111.6	A409 K410 P414 C416 L417	A409-A419 HydrophobicContact CB-CB 4.3Å; K410-A419 HydrophobicContact CG-CB 4.11Å; P414-A419 WeakPolarHBondContact O-CB 3.42Å; C416-A419 PolarHBondContact O-N 3.02Å; C416-A419 VanDerWaalsContact SG-CB 3.56Å; C416-A419 PolarHBondContact SG-N 2.99Å; C416-A419 VanDerWaalsContact SG-N 3.43Å; L417-A419 PolarHBondContact O-N 2.87Å
420	K	90.2	Very high	85.7	Confident	93 Å²	93	67.1 Å²	67.1	40%	0.404	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-43.2	-179.9	-79.2	178.6	169.1	147.8	0	114	E415 C416 L417	E415-K420 WeakPolarHBondContact O-CD 3.33Å; E415-K420 VanDerWaalsContact O-CE 3.27Å; E415-K420 WeakPolarHBondContact O-CE 3.27Å; E415-K420 PolarHBondContact O-NZ 3.16Å; E415-K420 WeakPolarHBondContact OE2-CE 3.37Å; E415-K420 IonicContact OE2-NZ 3.17Å; E415-K420 PolarHBondContact OE2-NZ 3.38Å; C416-K420 PolarHBondContact O-N 3.2Å; L417-K420 PolarHBondContact O-N 3.1Å
421	F	89.2	Confident	85.9	Confident	15 Å²	15	61.9 Å²	61.9	7%	0.066	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	25.3	-178	-60.3	-71.2	0	0	0	112.6	V326 N330 E333 I334 L417 V423 Q430 L431	V326-F421 HydrophobicContact CG1-CB 4.14Å; V326-F421 HydrophobicContact CG1-CD1 4.31Å; V326-F421 HydrophobicContact CG1-CG 4.35Å; V326-F421 HydrophobicContact CG2-CB 4.47Å; N330-F421 HydrophobicContact CB-CD1 3.82Å; N330-F421 HydrophobicContact CB-CE1 3.69Å; E333-F421 HydrophobicContact CB-CZ 4.39Å; E333-F421 HydrophobicContact CG-CE1 4.34Å; E333-F421 HydrophobicContact CG-CZ 3.99Å; I334-F421 HydrophobicContact CD1-CD1 4.29Å; I334-F421 HydrophobicContact CD1-CD2 4.25Å; I334-F421 HydrophobicContact CD1-CE1 4.39Å; I334-F421 HydrophobicContact CD1-CE2 4.36Å; I334-F421 HydrophobicContact CD1-CG 4.23Å; I334-F421 HydrophobicContact CD1-CZ 4.43Å; I334-F421 HydrophobicContact CG1-CD1 4.3Å; I334-F421 HydrophobicContact CG1-CD2 3.89Å; I334-F421 HydrophobicContact CG1-CE1 3.99Å; I334-F421 HydrophobicContact CG1-CE2 3.55Å; I334-F421 HydrophobicContact CG1-CG 4.27Å; I334-F421 HydrophobicContact CG1-CZ 3.6Å; L417-F421 HydrophobicContact CB-CD2 4.31Å; L417-F421 HydrophobicContact CD2-CD2 4.4Å; L417-F421 HydrophobicContact CD2-CE2 3.88Å; L417-F421 VanDerWaalsContact O-CD2 3.29Å; L417-F421 WeakPolarHBondContact O-CD2 3.48Å; L417-F421 PolarHBondContact O-N 2.91Å; F421-V423 PolarHBondContact O-N 3.18Å; F421-Q430 WeakPolarHBondContact O-CG 3.42Å; F421-L431 HydrophobicContact CD2-CD1 4.07Å
422	A	85.8	Confident	86.1	Confident	25 Å²	25	55 Å²	55	21%	0.207	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-69.4	127.4	173.6	0	0	0	0	0	110.1	L406 R418	L406-A422 HydrophobicContact CD2-CB 4.02Å; R418-A422 PolarHBondContact O-N 2.89Å
423	V	82.1	Confident	86.2	Confident	53 Å²	53	49 Å²	49	32%	0.321	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-87.7	133.3	174	175.9	0	0	0	0	109.2	V326 F421 N425 E426 Q430	V326-V423 HydrophobicContact CG2-CG2 4.03Å; F421-V423 PolarHBondContact O-N 3.18Å; V423-N425 PolarHBondContact O-N 2.79Å; V423-E426 HydrophobicContact CB-CB 4.27Å; V423-E426 HydrophobicContact CB-CG 4.27Å; V423-E426 HydrophobicContact CG1-CB 4.43Å; V423-E426 HydrophobicContact CG1-CG 3.99Å; V423-E426 PolarHBondContact O-N 3.01Å; V423-Q430 HydrophobicContact CG2-CG 3.9Å
424	E	73.3	Confident	86.3	Confident	167 Å²	167	45.9 Å²	45.9	78%	0.78	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	134.3	177.6	-69.9	-172.4	170.3	0	0	111.2	E426	E424-E426 VanDerWaalsContact C-N 3.28Å; E424-E426 PolarHBondContact O-N 2.89Å
425	N	72.6	Confident	85.9	Confident	161 Å²	161	44.3 Å²	44.3	86%	0.861	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	9	-179.2	-47	-61	0	0	0	116.5	V423	V423-N425 PolarHBondContact O-N 2.79Å
426	E	75.7	Confident	85.8	Confident	45 Å²	45	40.9 Å²	40.9	21%	0.21	23%	0.225	C	C	.	.			trans	-97.7	125.1	168.7	-77.9	-65.8	156.9	0	0	110.5	V423 E424 I428	V423-E426 HydrophobicContact CB-CB 4.27Å; V423-E426 HydrophobicContact CB-CG 4.27Å; V423-E426 HydrophobicContact CG1-CB 4.43Å; V423-E426 HydrophobicContact CG1-CG 3.99Å; V423-E426 PolarHBondContact O-N 3.01Å; E424-E426 VanDerWaalsContact C-N 3.28Å; E424-E426 PolarHBondContact O-N 2.89Å; E426-I428 PolarHBondContact O-N 3.06Å
427	P	73.9	Confident	85.5	Confident	93 Å²	93	44.6 Å²	44.6	60%	0.604	25%	0.249	S	C	*	.	S	Bend	trans	-76.8	-5.6	-178.4	30.5	-33.3	0	0	0	113.2	A373	A373-P427 HydrophobicContact CB-CG 4.28Å
428	I	83.4	Confident	85.2	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.041	28%	0.278	C	S	.	.	S	Bend	trans	-115.2	143.8	-173	64.7	-174.3	0	0	0	111.4	Y370 L374 N377 E426 Q430	Y370-I428 HydrophobicContact CD2-CG2 4.39Å; L374-I428 HydrophobicContact CD1-CD1 4.38Å; N377-I428 HydrophobicContact CB-CD1 3.57Å; E426-I428 PolarHBondContact O-N 3.06Å; I428-Q430 PolarHBondContact O-NE2 3.37Å
429	N	88.9	Confident	85	Confident	20 Å²	20	49.9 Å²	49.9	11%	0.107	28%	0.282	C	S	.	.			trans	-65.6	153.9	172.2	64	76.4	0	0	0	111.4	R323 P404 L406 R418 L431	R323-N429 WeakPolarHBondContact CD-O 3.18Å; R323-N429 PolarHBondContact NE-O 2.87Å; R323-N429 PolarHBondContact NH1-O 2.94Å; P404-N429 PolarHBondContact O-ND2 3.19Å; L406-N429 HydrophobicContact CD2-CB 4.04Å; L406-N429 HydrophobicContact CG-CB 4.43Å; R418-N429 HydrophobicContact CG-CB 4.14Å; N429-L431 PolarHBondContact OD1-O 2.95Å
430	Q	89.8	Confident	84.9	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.009	28%	0.277	C	S	.	.	S	Bend	trans	-96.6	-7.5	-173.9	-61	-61.9	-41.9	0	0	113.8	R323 V326 F421 V423 I428	R323-Q430 WeakPolarHBondContact CB-O 3.44Å; R323-Q430 WeakPolarHBondContact CG-O 3.5Å; R323-Q430 PolarHBondContact N-O 3.34Å; R323-Q430 VanDerWaalsContact N-O 3.09Å; V326-Q430 HydrophobicContact CB-CB 4.06Å; V326-Q430 HydrophobicContact CG2-CB 3.39Å; V326-Q430 HydrophobicContact CG2-CG 3.5Å; F421-Q430 WeakPolarHBondContact O-CG 3.42Å; V423-Q430 HydrophobicContact CG2-CG 3.9Å; I428-Q430 PolarHBondContact O-NE2 3.37Å
431	L	92	Very high	84.8	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119	-174.4	-60.3	174.7	0	0	0	110	I322 I334 L401 L417 R418 F421 N429	I322-L431 HydrophobicContact CB-CD2 4.2Å; I322-L431 HydrophobicContact CG1-CD2 3.91Å; I322-L431 HydrophobicContact CG2-CD2 3.91Å; I334-L431 HydrophobicContact CD1-CD2 3.98Å; I334-L431 HydrophobicContact CG2-CD2 4.47Å; L401-L431 HydrophobicContact CD2-CB 3.44Å; L401-L431 VanDerWaalsContact CD2-CB 3.44Å; L401-L431 HydrophobicContact CD2-CD1 3.99Å; L401-L431 HydrophobicContact CD2-CG 4.36Å; L417-L431 HydrophobicContact CB-CD1 3.51Å; L417-L431 HydrophobicContact CD1-CD1 4.32Å; R418-L431 PolarHBondContact NE-O 3.1Å; R418-L431 PolarHBondContact NH2-O 3.22Å; F421-L431 HydrophobicContact CD2-CD1 4.07Å; N429-L431 PolarHBondContact OD1-O 2.95Å
432	H	91.9	Very high	84.7	Confident	22 Å²	22	55.6 Å²	55.6	10%	0.102	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	146.1	175.7	178.1	81.7	0	0	0	110.7	L321 F361 Y362 E443	L321-H432 HydrophobicContact CB-CB 4.02Å; L321-H432 HydrophobicContact CD2-CB 3.87Å; L321-H432 PolarHBondContact N-O 3.07Å; L321-H432 PolarHBondContact O-N 2.88Å; F361-H432 AromaticContact CZ-NE2 3.98Å; Y362-H432 AromaticContact CE1-ND1 3.96Å; H432-E443 IonicContact CD2-OE2 3.66Å; H432-E443 IonicContact CE1-OE1 3.38Å; H432-E443 PolarHBondContact CE1-OE1 3.17Å; H432-E443 VanDerWaalsContact NE2-CD 3.34Å; H432-E443 IonicContact NE2-OE1 3.24Å; H432-E443 PolarHBondContact NE2-OE1 2.87Å; H432-E443 IonicContact NE2-OE2 3.99Å; H432-E443 PolarHBondContact NE2-OE2 3.22Å
433	G	90.8	Very high	85	Confident	11 Å²	11	54.7 Å²	54.7	11%	0.113	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	142.6	174	0	0	0	0	0	109.4	L319	L319-G433 WeakPolarHBondContact O-CA 3.4Å
434	S	90.1	Very high	85.4	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.007	28%	0.284	C	S	.	.			trans	-59.2	139.9	-177.9	-44.6	0	0	0	0	111.3	L319 A440 E443	L319-S434 WeakPolarHBondContact CB-OG 3.36Å; L319-S434 PolarHBondContact N-OG 3.18Å; S434-A440 WeakPolarHBondContact OG-CA 3.48Å; S434-E443 WeakPolarHBondContact CA-OE2 3.27Å; S434-E443 WeakPolarHBondContact CB-OE2 3.28Å; S434-E443 PolarHBondContact OG-OE2 3.35Å
435	A	82.1	Confident	86.1	Confident	43 Å²	43	49.6 Å²	49.6	36%	0.355	27%	0.272	S	S	.	.	S	Bend	trans	-80.3	-26.8	-174.6	0	0	0	0	0	113.3	K398 E439	K398-A435 PolarHBondContact NZ-O 2.99Å; A435-E439 WeakPolarHBondContact CB-OE2 3.27Å; A435-E439 PolarHBondContact N-OE2 3.49Å
436	N	86.2	Confident	86.9	Confident	56 Å²	56	45.1 Å²	45.1	30%	0.299	25%	0.245	S	C	.	.	S	Bend	trans	-152.5	166.9	-178.2	59.7	68.3	0	0	0	110.9	T438 E439 A440	N436-T438 VanDerWaalsContact C-N 3.33Å; N436-T438 PolarHBondContact O-N 3.22Å; N436-T438 WeakPolarHBondContact OD1-CB 3.29Å; N436-T438 PolarHBondContact OD1-N 2.89Å; N436-E439 VanDerWaalsContact ND2-CD 3.26Å; N436-E439 PolarHBondContact ND2-OE1 2.89Å; N436-E439 PolarHBondContact O-N 2.92Å; N436-E439 PolarHBondContact OD1-N 3.39Å; N436-A440 PolarHBondContact O-N 2.99Å
437	P	84.7	Confident	87.5	Confident	80 Å²	80	43.5 Å²	43.5	52%	0.519	24%	0.237	S	C	.	.	H	α-helix	trans	-59.2	-35.8	-178.5	-27.7	36.9	0	0	0	115.1	V394 A440 E441	V394-P437 HydrophobicContact CG2-CG 4.49Å; P437-A440 WeakPolarHBondContact O-CB 3.43Å; P437-A440 PolarHBondContact O-N 2.91Å; P437-E441 PolarHBondContact O-N 3.35Å
438	T	84.4	Confident	88	Confident	103 Å²	103	39.1 Å²	39.1	63%	0.632	21%	0.209	S	C	*	.	H	α-helix	trans	-67.7	-42.1	178.9	-50.8	0	0	0	0	111.6	N436 A440 E441 R442	N436-T438 VanDerWaalsContact C-N 3.33Å; N436-T438 PolarHBondContact O-N 3.22Å; N436-T438 WeakPolarHBondContact OD1-CB 3.29Å; N436-T438 PolarHBondContact OD1-N 2.89Å; T438-A440 VanDerWaalsContact C-N 3.33Å; T438-E441 PolarHBondContact O-N 3.5Å; T438-R442 PolarHBondContact O-N 2.93Å; T438-R442 VanDerWaalsContact O-N 3.13Å
439	E	87.6	Confident	88.1	Confident	35 Å²	35	40.6 Å²	40.6	16%	0.164	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-41	170.9	-76	175.9	-154.8	0	0	111.5	A435 N436 E441 R442 E443	A435-E439 WeakPolarHBondContact CB-OE2 3.27Å; A435-E439 PolarHBondContact N-OE2 3.49Å; N436-E439 VanDerWaalsContact ND2-CD 3.26Å; N436-E439 PolarHBondContact ND2-OE1 2.89Å; N436-E439 PolarHBondContact O-N 2.92Å; N436-E439 PolarHBondContact OD1-N 3.39Å; E439-E441 VanDerWaalsContact C-N 3.32Å; E439-E441 PolarHBondContact O-N 2.97Å; E439-R442 PolarHBondContact O-N 3.08Å; E439-E443 WeakPolarHBondContact O-CB 3.33Å; E439-E443 WeakPolarHBondContact O-CG 3.47Å; E439-E443 PolarHBondContact O-N 3.36Å
440	A	88.8	Confident	87.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-57.6	-46	177.2	0	0	0	0	0	111.7	V394 S434 N436 P437 T438 E443 L444	V394-A440 HydrophobicContact CG2-CB 3.75Å; S434-A440 WeakPolarHBondContact OG-CA 3.48Å; N436-A440 PolarHBondContact O-N 2.99Å; P437-A440 WeakPolarHBondContact O-CB 3.43Å; P437-A440 PolarHBondContact O-N 2.91Å; T438-A440 VanDerWaalsContact C-N 3.33Å; A440-E443 PolarHBondContact O-N 2.9Å; A440-L444 WeakPolarHBondContact O-CB 3.36Å; A440-L444 WeakPolarHBondContact O-CD1 3.17Å; A440-L444 WeakPolarHBondContact O-CG 3.33Å; A440-L444 PolarHBondContact O-N 3.3Å
441	E	86.4	Confident	87.7	Confident	144 Å²	144	46.6 Å²	46.6	67%	0.673	25%	0.246	S	C	*	.	H	α-helix	trans	-62	-47.6	177.1	-174.2	172.3	-159.3	0	0	112.2	P437 T438 E439 E443 L444 N445	P437-E441 PolarHBondContact O-N 3.35Å; T438-E441 PolarHBondContact O-N 3.5Å; E439-E441 VanDerWaalsContact C-N 3.32Å; E439-E441 PolarHBondContact O-N 2.97Å; E441-E443 PolarHBondContact O-N 3.09Å; E441-L444 PolarHBondContact O-N 3.04Å; E441-N445 WeakPolarHBondContact O-CB 3.48Å; E441-N445 PolarHBondContact O-N 3.1Å
442	R	88.4	Confident	87.7	Confident	96 Å²	96	50 Å²	50	36%	0.362	26%	0.259	S	S	.	.	H	α-helix	trans	-60.5	-47.3	177.7	-175.1	-169.9	69.8	-130.5	-0.4	111.9	T438 E439 N445 F446	T438-R442 PolarHBondContact O-N 2.93Å; T438-R442 VanDerWaalsContact O-N 3.13Å; E439-R442 PolarHBondContact O-N 3.08Å; R442-N445 PolarHBondContact O-N 2.89Å; R442-F446 PolarHBondContact O-N 3.16Å
443	E	92.1	Very high	87.8	Confident	7 Å²	7	49 Å²	49	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-68.4	-39.8	-178.5	-72	-176.4	169.7	0	0	111.8	L319 F361 H432 S434 E439 A440 E441 F446 F447	L319-E443 HydrophobicContact CB-CB 4.12Å; L319-E443 HydrophobicContact CD2-CB 3.72Å; L319-E443 HydrophobicContact CD2-CG 4.45Å; F361-E443 HydrophobicContact CE2-CB 3.86Å; F361-E443 HydrophobicContact CE2-CG 3.63Å; F361-E443 HydrophobicContact CZ-CB 4.17Å; F361-E443 HydrophobicContact CZ-CG 3.72Å; H432-E443 IonicContact CD2-OE2 3.66Å; H432-E443 IonicContact CE1-OE1 3.38Å; H432-E443 PolarHBondContact CE1-OE1 3.17Å; H432-E443 VanDerWaalsContact NE2-CD 3.34Å; H432-E443 IonicContact NE2-OE1 3.24Å; H432-E443 PolarHBondContact NE2-OE1 2.87Å; H432-E443 IonicContact NE2-OE2 3.99Å; H432-E443 PolarHBondContact NE2-OE2 3.22Å; S434-E443 WeakPolarHBondContact CA-OE2 3.27Å; S434-E443 WeakPolarHBondContact CB-OE2 3.28Å; S434-E443 PolarHBondContact OG-OE2 3.35Å; E439-E443 WeakPolarHBondContact O-CB 3.33Å; E439-E443 WeakPolarHBondContact O-CG 3.47Å; E439-E443 PolarHBondContact O-N 3.36Å; A440-E443 PolarHBondContact O-N 2.9Å; E441-E443 PolarHBondContact O-N 3.09Å; E443-F446 WeakPolarHBondContact O-CB 3.14Å; E443-F446 PolarHBondContact O-N 3.41Å; E443-F447 WeakPolarHBondContact O-CD2 3.46Å; E443-F447 PolarHBondContact O-N 3.39Å
444	L	90.4	Very high	87.9	Confident	15 Å²	15	48.4 Å²	48.4	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-45.6	172.6	-74.5	168.5	0	0	0	110.7	R317 L319 A387 A440 E441 F446 F447 F448	R317-L444 HydrophobicContact CB-CD1 3.64Å; L319-L444 HydrophobicContact CB-CD2 4.23Å; L319-L444 HydrophobicContact CB-CG 4.36Å; L319-L444 HydrophobicContact CD1-CD2 4.15Å; A387-L444 HydrophobicContact CB-CD2 3.5Å; A440-L444 WeakPolarHBondContact O-CB 3.36Å; A440-L444 WeakPolarHBondContact O-CD1 3.17Å; A440-L444 WeakPolarHBondContact O-CG 3.33Å; A440-L444 PolarHBondContact O-N 3.3Å; E441-L444 PolarHBondContact O-N 3.04Å; L444-F446 PolarHBondContact O-N 2.97Å; L444-F447 PolarHBondContact O-N 2.68Å; L444-F448 HydrophobicContact CD2-CD2 4.03Å; L444-F448 HydrophobicContact CD2-CE2 4.34Å; L444-F448 CarbonylContact O-C 3.55Å; L444-F448 VanDerWaalsContact O-CA 3.32Å; L444-F448 WeakPolarHBondContact O-CA 3.49Å; L444-F448 WeakPolarHBondContact O-CB 3.35Å; L444-F448 PolarHBondContact O-N 2.95Å
445	N	88.1	Confident	88	Confident	98 Å²	98	48.4 Å²	48.4	52%	0.524	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-28	177.5	-171.8	54.6	0	0	0	112.7	E441 R442 P449	E441-N445 WeakPolarHBondContact O-CB 3.48Å; E441-N445 PolarHBondContact O-N 3.1Å; R442-N445 PolarHBondContact O-N 2.89Å; N445-P449 VanDerWaalsContact O-CA 3.24Å; N445-P449 WeakPolarHBondContact O-CA 3.37Å; N445-P449 WeakPolarHBondContact O-CB 3.3Å; N445-P449 WeakPolarHBondContact O-CD 3.45Å
446	F	89	Confident	88.5	Confident	66 Å²	66	46.3 Å²	46.3	29%	0.289	23%	0.231	S	C	.	.	H	α-helix	trans	-67.2	-43.5	174.4	-178.6	-89.6	0	0	0	112.5	L353 Q357 Q360 F361 R442 E443 L444	L353-F446 HydrophobicContact CD2-CE1 4.21Å; Q357-F446 HydrophobicContact CB-CZ 4.14Å; Q357-F446 WeakPolarHBondContact O-CZ 3.31Å; Q360-F446 HydrophobicContact CB-CE2 4.27Å; F361-F446 HydrophobicContact CB-CD1 4.46Å; F361-F446 HydrophobicContact CB-CE1 4.01Å; F361-F446 HydrophobicContact CB-CE2 4.32Å; F361-F446 HydrophobicContact CB-CZ 3.93Å; F361-F446 HydrophobicContact CD2-CB 4.26Å; F361-F446 AromaticContact CD2-CD1 3.5Å; F361-F446 HydrophobicContact CD2-CD1 3.5Å; F361-F446 HydrophobicContact CD2-CD2 4.4Å; F361-F446 AromaticContact CD2-CE1 3.86Å; F361-F446 HydrophobicContact CD2-CE1 3.86Å; F361-F446 AromaticContact CD2-CG 3.8Å; F361-F446 HydrophobicContact CD2-CG 3.8Å; F361-F446 HydrophobicContact CD2-CZ 4.44Å; F361-F446 HydrophobicContact CE2-CD1 4.19Å; F361-F446 HydrophobicContact CG-CD1 4.31Å; F361-F446 HydrophobicContact CG-CE1 4.23Å; R442-F446 PolarHBondContact O-N 3.16Å; E443-F446 WeakPolarHBondContact O-CB 3.14Å; E443-F446 PolarHBondContact O-N 3.41Å; L444-F446 PolarHBondContact O-N 2.97Å
447	F	87.6	Confident	88.8	Confident	11 Å²	11	43.7 Å²	43.7	5%	0.048	22%	0.217	C	C	.	.	H	α-helix	trans	-90.9	-26.6	-178.2	-74.5	-73.2	0	0	0	114.3	L319 L321 V351 L353 F361 A385 E443 L444 P449	L319-F447 HydrophobicContact CD1-CD2 3.91Å; L319-F447 HydrophobicContact CD2-CD2 3.59Å; L319-F447 HydrophobicContact CD2-CE2 3.64Å; L319-F447 HydrophobicContact CG-CD2 4.44Å; L321-F447 HydrophobicContact CD1-CD2 4.47Å; L321-F447 HydrophobicContact CD1-CE1 4.07Å; L321-F447 HydrophobicContact CD1-CE2 3.46Å; L321-F447 VanDerWaalsContact CD1-CE2 3.46Å; L321-F447 HydrophobicContact CD1-CZ 3.23Å; V351-F447 HydrophobicContact CG1-CD1 3.92Å; V351-F447 HydrophobicContact CG1-CE1 3.71Å; L353-F447 HydrophobicContact CD1-CE1 4.16Å; L353-F447 HydrophobicContact CD1-CZ 4.2Å; L353-F447 HydrophobicContact CD2-CE1 4.02Å; F361-F447 AromaticContact CD2-CE2 3.73Å; F361-F447 HydrophobicContact CD2-CE2 3.73Å; F361-F447 HydrophobicContact CD2-CZ 4.23Å; F361-F447 HydrophobicContact CE1-CE2 4.3Å; F361-F447 AromaticContact CE2-CD2 3.98Å; F361-F447 HydrophobicContact CE2-CD2 3.98Å; F361-F447 AromaticContact CE2-CE2 3.29Å; F361-F447 HydrophobicContact CE2-CE2 3.29Å; F361-F447 HydrophobicContact CE2-CZ 4.17Å; F361-F447 HydrophobicContact CG-CE2 4.4Å; F361-F447 AromaticContact CZ-CE2 3.63Å; F361-F447 HydrophobicContact CZ-CE2 3.63Å; F361-F447 HydrophobicContact CZ-CZ 4.42Å; A385-F447 HydrophobicContact CB-CB 4.05Å; A385-F447 HydrophobicContact CB-CD1 3.78Å; A385-F447 HydrophobicContact CB-CD2 4.34Å; A385-F447 HydrophobicContact CB-CE1 4.32Å; A385-F447 HydrophobicContact CB-CG 3.8Å; E443-F447 WeakPolarHBondContact O-CD2 3.46Å; E443-F447 PolarHBondContact O-N 3.39Å; L444-F447 PolarHBondContact O-N 2.68Å; F447-P449 VanDerWaalsContact C-CD 3.46Å
448	F	86	Confident	89.1	Confident	2 Å²	2	40 Å²	40	1%	0.009	19%	0.193	C	C	.	.	S	Bend	trans	-133	58	-175.3	-52.5	-75.5	0	0	0	110.1	L319 L347 K349 A385 A387 L444	L319-F448 HydrophobicContact CD1-CE2 4.01Å; L347-F448 HydrophobicContact CB-CD1 3.82Å; L347-F448 HydrophobicContact CB-CE1 3.63Å; L347-F448 HydrophobicContact CB-CG 4.37Å; L347-F448 HydrophobicContact CB-CZ 4.05Å; L347-F448 HydrophobicContact CD1-CB 3.82Å; L347-F448 HydrophobicContact CD1-CD1 3.68Å; L347-F448 HydrophobicContact CD1-CE1 4.36Å; L347-F448 HydrophobicContact CD1-CG 3.77Å; L347-F448 HydrophobicContact CG-CD1 4.4Å; K349-F448 HydrophobicContact CB-CE1 3.69Å; K349-F448 HydrophobicContact CB-CZ 4.25Å; A385-F448 HydrophobicContact CB-CE2 4.19Å; A385-F448 HydrophobicContact CB-CZ 4.01Å; A387-F448 HydrophobicContact CB-CD2 4.21Å; A387-F448 HydrophobicContact CB-CE2 4.01Å; L444-F448 HydrophobicContact CD2-CD2 4.03Å; L444-F448 HydrophobicContact CD2-CE2 4.34Å; L444-F448 CarbonylContact O-C 3.55Å; L444-F448 VanDerWaalsContact O-CA 3.32Å; L444-F448 WeakPolarHBondContact O-CA 3.49Å; L444-F448 WeakPolarHBondContact O-CB 3.35Å; L444-F448 PolarHBondContact O-N 2.95Å
449	P	84.6	Confident	89.3	Confident	39 Å²	39	35.6 Å²	35.6	25%	0.253	17%	0.166	S	C	.	.			trans	-60.5	147.5	179.8	25.8	-33.8	0	0	0	110.4	N445 F447 Q451	N445-P449 VanDerWaalsContact O-CA 3.24Å; N445-P449 WeakPolarHBondContact O-CA 3.37Å; N445-P449 WeakPolarHBondContact O-CB 3.3Å; N445-P449 WeakPolarHBondContact O-CD 3.45Å; F447-P449 VanDerWaalsContact C-CD 3.46Å; P449-Q451 HydrophobicContact CG-CG 4.35Å; P449-Q451 PolarHBondContact O-N 2.94Å
450	Q	83.3	Confident	89.1	Confident	137 Å²	137	37.3 Å²	37.3	64%	0.64	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	117.2	168.9	-165.6	177.6	26.8	0	0	108.4	T524	Q450-T524 HydrophobicContact CG-CG2 3.53Å
451	Q	87.1	Confident	88.8	Confident	11 Å²	11	37.4 Å²	37.4	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	153.8	-176.7	-69	178.8	-2.3	0	0	110.7	P449 T524 K525 A528 E571	P449-Q451 HydrophobicContact CG-CG 4.35Å; P449-Q451 PolarHBondContact O-N 2.94Å; Q451-T524 WeakPolarHBondContact O-CA 3.26Å; Q451-K525 PolarHBondContact N-O 2.84Å; Q451-K525 PolarHBondContact O-N 2.88Å; Q451-K525 VanDerWaalsContact O-N 3.1Å; Q451-A528 HydrophobicContact CB-CB 3.88Å; Q451-A528 VanDerWaalsContact O-CB 3.28Å; Q451-A528 WeakPolarHBondContact O-CB 3.21Å; Q451-E571 PolarHBondContact NE2-OE1 2.83Å
452	R	90.9	Very high	88.6	Confident	72 Å²	72	31.3 Å²	31.3	27%	0.272	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	139.9	169	-56.5	177.2	84.5	-167.5	8	108.9	I522 L523 T524 A574 I578	R452-I522 HydrophobicContact CB-CG2 4.18Å; R452-L523 CarbonylContact C-O 3.56Å; R452-L523 VanDerWaalsContact CA-O 3.27Å; R452-L523 WeakPolarHBondContact CA-O 3.35Å; R452-T524 HydrophobicContact CG-CG2 4.37Å; R452-A574 WeakPolarHBondContact O-CB 3.48Å; R452-I578 HydrophobicContact CB-CD1 3.92Å
453	T	94.1	Very high	88.2	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151	173	-168.3	0	0	0	0	110.4	L523 A528 W532	T453-L523 HydrophobicContact CG2-CB 3.9Å; T453-L523 PolarHBondContact N-O 3.48Å; T453-L523 PolarHBondContact O-N 3.12Å; T453-A528 HydrophobicContact CG2-CB 3.95Å; T453-W532 HydrophobicContact CG2-CB 3.93Å; T453-W532 HydrophobicContact CG2-CG 4.21Å
454	L	93.2	Very high	87.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.1	169.9	-173	72.6	0	0	0	108.8	V456 F496 M520 L521 G567 K577 I578 V581 F582	L454-V456 HydrophobicContact CD2-CG2 4.04Å; L454-V456 HydrophobicContact CG-CG2 4.14Å; L454-F496 HydrophobicContact CD2-CE2 3.53Å; L454-F496 HydrophobicContact CD2-CZ 3.51Å; L454-M520 HydrophobicContact CD1-CB 4.45Å; L454-M520 HydrophobicContact CD2-SD 4.31Å; L454-L521 WeakPolarHBondContact CA-O 3.3Å; L454-G567 VanDerWaalsContact O-CA 3.24Å; L454-G567 WeakPolarHBondContact O-CA 3.41Å; L454-K577 HydrophobicContact CB-CB 4.45Å; L454-K577 HydrophobicContact CD2-CB 3.72Å; L454-K577 HydrophobicContact CD2-CD 4.36Å; L454-I578 HydrophobicContact CB-CG1 4.04Å; L454-I578 HydrophobicContact CD1-CG1 4.44Å; L454-V581 HydrophobicContact CD2-CG2 4.35Å; L454-F582 HydrophobicContact CD1-CE2 3.8Å
455	A	93.8	Very high	87.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.6	164.9	0	0	0	0	0	109.7	L521 L523 W532	A455-L521 HydrophobicContact CB-CB 4.14Å; A455-L521 HydrophobicContact CB-CD1 4.49Å; A455-L521 PolarHBondContact N-O 3.12Å; A455-L521 PolarHBondContact O-N 2.91Å; A455-L523 HydrophobicContact CB-CD1 3.45Å; A455-L523 VanDerWaalsContact CB-CD1 3.45Å; A455-L523 HydrophobicContact CB-CG 3.76Å; A455-W532 HydrophobicContact CB-CD2 4.09Å; A455-W532 HydrophobicContact CB-CH2 4.04Å; A455-W532 HydrophobicContact CB-CZ2 3.39Å
456	V	92.5	Very high	87.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.5	177.1	-171.3	0	0	0	0	108.6	L454 F496 M513 M519 M520 V565 H566	L454-V456 HydrophobicContact CD2-CG2 4.04Å; L454-V456 HydrophobicContact CG-CG2 4.14Å; V456-F496 HydrophobicContact CG2-CE1 4.48Å; V456-F496 HydrophobicContact CG2-CZ 3.96Å; V456-M513 HydrophobicContact CG1-CE 4.16Å; V456-M519 CarbonylContact C-O 3.6Å; V456-M519 VanDerWaalsContact CA-O 3.31Å; V456-M519 WeakPolarHBondContact CA-O 3.41Å; V456-M520 HydrophobicContact CB-SD 4.01Å; V456-M520 HydrophobicContact CG1-CE 3.72Å; V456-M520 HydrophobicContact CG1-SD 3.63Å; V456-M520 HydrophobicContact CG2-CE 4.16Å; V456-M520 HydrophobicContact CG2-SD 3.35Å; V456-M520 WeakPolarHBondContact CG2-SD 3.3Å; V456-V565 CarbonylContact O-C 3.52Å; V456-V565 WeakPolarHBondContact O-CA 3.4Å; V456-H566 HydrophobicContact CB-CB 4.02Å; V456-H566 HydrophobicContact CG2-CB 4.31Å; V456-H566 PolarHBondContact N-O 3.34Å; V456-H566 PolarHBondContact O-N 3.26Å
457	I	92.1	Very high	87.4	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.3	167.5	-50.7	178.7	0	0	0	106.9	A461 L462 I469 L470 C518 M519 L521	I457-A461 HydrophobicContact CG2-CB 3.9Å; I457-L462 HydrophobicContact CG2-CB 4.15Å; I457-I469 HydrophobicContact CD1-CB 4.24Å; I457-I469 HydrophobicContact CD1-CG2 3.76Å; I457-I469 HydrophobicContact CG1-CG2 4.18Å; I457-I469 HydrophobicContact CG2-CD1 4.13Å; I457-L470 HydrophobicContact CD1-CD2 4.41Å; I457-C518 WeakPolarHBondContact O-CA 3.32Å; I457-C518 WeakPolarHBondContact O-CB 3.49Å; I457-M519 HydrophobicContact CB-CB 4.2Å; I457-M519 HydrophobicContact CD1-SD 3.95Å; I457-M519 PolarHBondContact N-O 3.44Å; I457-M519 PolarHBondContact O-N 3.28Å; I457-L521 HydrophobicContact CD1-CD1 4.02Å; I457-L521 HydrophobicContact CG1-CD1 4.25Å
458	K	90.8	Very high	87.5	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.013	23%	0.23	C	C	.	.			trans	-76.1	162	-175.5	-64	-154.5	-175	170.9	0	111.7	D460 A461 L462 F512 M513 N563 S564	K458-D460 PolarHBondContact O-N 3.14Å; K458-A461 PolarHBondContact O-N 3.05Å; K458-A461 VanDerWaalsContact O-N 3.12Å; K458-L462 WeakPolarHBondContact O-CB 3.39Å; K458-L462 PolarHBondContact O-N 3.22Å; K458-F512 HydrophobicContact CB-CE1 3.99Å; K458-F512 HydrophobicContact CD-CD1 4.1Å; K458-F512 HydrophobicContact CD-CE1 3.58Å; K458-F512 HydrophobicContact CG-CE1 4.46Å; K458-M513 HydrophobicContact CB-SD 4.32Å; K458-M513 HydrophobicContact CD-SD 3.55Å; K458-M513 VanDerWaalsContact CD-SD 3.55Å; K458-M513 HydrophobicContact CG-SD 3.79Å; K458-N563 WeakPolarHBondContact CD-O 3.5Å; K458-N563 WeakPolarHBondContact CE-OD1 3.25Å; K458-N563 PolarHBondContact NZ-OD1 3.45Å; K458-S564 PolarHBondContact N-O 3.39Å
459	P	88.1	Confident	87.6	Confident	11 Å²	11	47.3 Å²	47.3	7%	0.071	23%	0.23	C	C	.	.	H	α-helix	trans	-50.4	-50.4	-171	-29.6	36.1	0	0	0	115.5	A461 L462 E463 P517 C518	P459-A461 PolarHBondContact O-N 2.95Å; P459-L462 WeakPolarHBondContact O-CB 3.39Å; P459-L462 PolarHBondContact O-N 3.24Å; P459-L462 VanDerWaalsContact O-N 3.16Å; P459-E463 PolarHBondContact O-N 2.85Å; P459-E463 VanDerWaalsContact O-N 3.09Å; P459-P517 VanDerWaalsContact CA-O 3.23Å; P459-P517 WeakPolarHBondContact CA-O 3.3Å; P459-P517 WeakPolarHBondContact CB-O 3.39Å; P459-C518 HydrophobicContact CG-CB 4.33Å
460	D	84.6	Confident	87.8	Confident	70 Å²	70	46 Å²	46	37%	0.374	22%	0.22	S	C	.	.	H	α-helix	trans	-61.6	-42.6	-178.7	-60.4	7.8	0	0	0	112.3	K458 L462 E463 E464 F512 H562	K458-D460 PolarHBondContact O-N 3.14Å; D460-L462 VanDerWaalsContact C-N 3.33Å; D460-E463 PolarHBondContact O-N 2.82Å; D460-E464 PolarHBondContact O-N 2.97Å; D460-F512 HydrophobicContact CB-CZ 4.31Å; D460-F512 WeakPolarHBondContact OD1-CE2 3.44Å; D460-F512 VanDerWaalsContact OD2-CE2 3.31Å; D460-F512 WeakPolarHBondContact OD2-CE2 3.23Å; D460-H562 IonicContact OD2-CD2 3.88Å; D460-H562 PolarHBondContact OD2-CD2 3.01Å
461	A	81.9	Confident	88	Confident	4 Å²	4	46.1 Å²	46.1	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-73.9	-26.4	179.1	0	0	0	0	0	112.8	I457 K458 P459 H465 R466 I469 S564	I457-A461 HydrophobicContact CG2-CB 3.9Å; K458-A461 PolarHBondContact O-N 3.05Å; K458-A461 VanDerWaalsContact O-N 3.12Å; P459-A461 PolarHBondContact O-N 2.95Å; A461-H465 CarbonylContact O-C 3.53Å; A461-H465 VanDerWaalsContact O-CA 3.3Å; A461-H465 WeakPolarHBondContact O-CA 3.44Å; A461-H465 WeakPolarHBondContact O-CB 3.45Å; A461-H465 PolarHBondContact O-N 2.87Å; A461-R466 PolarHBondContact O-N 3.36Å; A461-R466 VanDerWaalsContact O-N 3.17Å; A461-I469 HydrophobicContact CB-CD1 4.2Å; A461-S564 WeakPolarHBondContact CB-O 3.48Å
462	L	82.9	Confident	88.1	Confident	16 Å²	16	47.5 Å²	47.5	8%	0.084	23%	0.227	C	C	.	.	H	α-helix	trans	-69.7	-37.1	174.5	-177.8	64.3	0	0	0	110.9	I457 K458 P459 D460 R466 P517 M519	I457-L462 HydrophobicContact CG2-CB 4.15Å; K458-L462 WeakPolarHBondContact O-CB 3.39Å; K458-L462 PolarHBondContact O-N 3.22Å; P459-L462 WeakPolarHBondContact O-CB 3.39Å; P459-L462 PolarHBondContact O-N 3.24Å; P459-L462 VanDerWaalsContact O-N 3.16Å; D460-L462 VanDerWaalsContact C-N 3.33Å; L462-R466 HydrophobicContact CD1-CB 4.09Å; L462-R466 HydrophobicContact CD1-CG 3.97Å; L462-R466 WeakPolarHBondContact O-CB 3.31Å; L462-P517 HydrophobicContact CD2-CB 4.11Å; L462-P517 HydrophobicContact CD2-CG 4.29Å; L462-P517 WeakPolarHBondContact CD2-O 3.37Å; L462-M519 HydrophobicContact CD1-CB 3.78Å; L462-M519 HydrophobicContact CD1-CE 3.75Å; L462-M519 HydrophobicContact CD1-SD 4.31Å; L462-M519 HydrophobicContact CD2-CB 4.31Å
463	E	79.6	Confident	88	Confident	173 Å²	173	44.1 Å²	44.1	81%	0.808	22%	0.215	S	C	*	.	H	α-helix	trans	-72.3	-41.7	178.7	-168.6	167.9	-168.3	0	0	112	P459 D460	P459-E463 PolarHBondContact O-N 2.85Å; P459-E463 VanDerWaalsContact O-N 3.09Å; D460-E463 PolarHBondContact O-N 2.82Å
464	E	81.3	Confident	87.7	Confident	150 Å²	150	51.9 Å²	51.9	70%	0.701	24%	0.244	S	C	*	.	H	α-helix	trans	-98.9	-27.2	-172.5	-62.5	-169.8	171.3	0	0	115	D460	D460-E464 PolarHBondContact O-N 2.97Å
465	H	86.1	Confident	87.2	Confident	51 Å²	51	55.2 Å²	55.2	24%	0.236	28%	0.278	C	S	.	.	H	α-helix	trans	-136.6	11.1	-162.4	-59.3	-36.1	0	0	0	115.3	A461 D467 T468 I469 F556	A461-H465 CarbonylContact O-C 3.53Å; A461-H465 VanDerWaalsContact O-CA 3.3Å; A461-H465 WeakPolarHBondContact O-CA 3.44Å; A461-H465 WeakPolarHBondContact O-CB 3.45Å; A461-H465 PolarHBondContact O-N 2.87Å; H465-D467 PolarHBondContact O-N 2.97Å; H465-T468 PolarHBondContact O-N 2.95Å; H465-I469 HydrophobicContact CB-CD1 3.98Å; H465-I469 HydrophobicContact CB-CG1 4.34Å; H465-I469 VanDerWaalsContact O-CG1 3.31Å; H465-I469 WeakPolarHBondContact O-CG1 3.32Å; H465-I469 PolarHBondContact O-N 3.44Å; H465-F556 HydrophobicContact CB-CD1 4.24Å; H465-F556 AromaticContact CD2-CD1 3.45Å; H465-F556 VanDerWaalsContact CD2-CD1 3.45Å; H465-F556 WeakPolarHBondContact CD2-CD1 3.48Å; H465-F556 AromaticContact CD2-CG 3.94Å; H465-F556 AromaticContact CG-CD1 3.68Å; H465-F556 AromaticContact NE2-CD1 3.72Å
466	R	87.4	Confident	86.7	Confident	85 Å²	85	61 Å²	61	32%	0.321	30%	0.3	S	S	.	.	H	α-helix	trans	-45.7	-61	-179	174.6	-168.8	173.3	136.9	12.2	113.5	A461 L462 T468 I469 L470 E485 M519	A461-R466 PolarHBondContact O-N 3.36Å; A461-R466 VanDerWaalsContact O-N 3.17Å; L462-R466 HydrophobicContact CD1-CB 4.09Å; L462-R466 HydrophobicContact CD1-CG 3.97Å; L462-R466 WeakPolarHBondContact O-CB 3.31Å; R466-T468 PolarHBondContact O-N 2.98Å; R466-I469 PolarHBondContact O-N 3.32Å; R466-L470 HydrophobicContact CG-CD1 4.01Å; R466-L470 WeakPolarHBondContact O-CG 3.11Å; R466-L470 PolarHBondContact O-N 3.06Å; R466-E485 IonicContact CZ-OE1 3.87Å; R466-E485 IonicContact NH1-OE1 2.95Å; R466-E485 PolarHBondContact NH1-OE1 3.35Å; R466-E485 IonicContact NH1-OE2 3.38Å; R466-E485 IonicContact NH2-OE1 2.79Å; R466-E485 PolarHBondContact NH2-OE1 3.39Å; R466-M519 HydrophobicContact CG-CE 4.22Å; R466-M519 VanDerWaalsContact CZ-CE 3.49Å
467	D	88.3	Confident	86.2	Confident	114 Å²	114	63.3 Å²	63.3	61%	0.61	32%	0.324	S	S	*	.	H	α-helix	trans	-68.2	-39.9	-168.2	-62.3	-32.9	0	0	0	110.9	H465 I469 L470 E471	H465-D467 PolarHBondContact O-N 2.97Å; D467-I469 PolarHBondContact O-N 3.42Å; D467-L470 PolarHBondContact O-N 3.14Å; D467-E471 WeakPolarHBondContact O-CB 3.46Å; D467-E471 PolarHBondContact O-N 3.45Å
468	T	88.5	Confident	86	Confident	58 Å²	58	63.6 Å²	63.6	36%	0.356	33%	0.325	S	S	.	.	H	α-helix	trans	-59.9	-44.4	174.6	-48.1	0	0	0	0	112	H465 R466 E471 E472 F556	H465-T468 PolarHBondContact O-N 2.95Å; R466-T468 PolarHBondContact O-N 2.98Å; T468-E471 PolarHBondContact O-N 2.87Å; T468-E472 WeakPolarHBondContact O-CG 3.35Å; T468-E472 PolarHBondContact O-N 3.04Å; T468-F556 HydrophobicContact CG2-CE1 4.49Å; T468-F556 HydrophobicContact CG2-CZ 3.88Å
469	I	89.5	Confident	85.8	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-42.3	179	-67.4	168.9	0	0	0	110.4	I457 A461 H465 R466 D467 E472 I473 L552 F556 V565	I457-I469 HydrophobicContact CD1-CB 4.24Å; I457-I469 HydrophobicContact CD1-CG2 3.76Å; I457-I469 HydrophobicContact CG1-CG2 4.18Å; I457-I469 HydrophobicContact CG2-CD1 4.13Å; A461-I469 HydrophobicContact CB-CD1 4.2Å; H465-I469 HydrophobicContact CB-CD1 3.98Å; H465-I469 HydrophobicContact CB-CG1 4.34Å; H465-I469 VanDerWaalsContact O-CG1 3.31Å; H465-I469 WeakPolarHBondContact O-CG1 3.32Å; H465-I469 PolarHBondContact O-N 3.44Å; R466-I469 PolarHBondContact O-N 3.32Å; D467-I469 PolarHBondContact O-N 3.42Å; I469-E472 PolarHBondContact O-N 3.46Å; I469-I473 HydrophobicContact CG2-CD1 3.89Å; I469-I473 HydrophobicContact CG2-CG1 4.45Å; I469-I473 VanDerWaalsContact O-CG1 3.25Å; I469-I473 WeakPolarHBondContact O-CG1 3.41Å; I469-I473 PolarHBondContact O-N 3.5Å; I469-L552 HydrophobicContact CG1-CD2 4.4Å; I469-L552 HydrophobicContact CG2-CD1 4.28Å; I469-F556 HydrophobicContact CG1-CD2 4.26Å; I469-F556 HydrophobicContact CG1-CE2 4.22Å; I469-V565 HydrophobicContact CD1-CG1 4.24Å; I469-V565 HydrophobicContact CG2-CG1 4.47Å
470	L	88.1	Confident	85.9	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.052	35%	0.354	C	S	.	.	H	α-helix	trans	-65.4	-39.8	177.8	-71.3	175.1	0	0	0	112.3	I457 R466 D467 I473 R474 M519 L521	I457-L470 HydrophobicContact CD1-CD2 4.41Å; R466-L470 HydrophobicContact CG-CD1 4.01Å; R466-L470 WeakPolarHBondContact O-CG 3.11Å; R466-L470 PolarHBondContact O-N 3.06Å; D467-L470 PolarHBondContact O-N 3.14Å; L470-I473 PolarHBondContact O-N 3.18Å; L470-R474 WeakPolarHBondContact O-CG 3.29Å; L470-R474 PolarHBondContact O-N 2.89Å; L470-M519 HydrophobicContact CD1-SD 4.3Å; L470-M519 HydrophobicContact CD2-SD 4.24Å; L470-L521 HydrophobicContact CD2-CD1 3.81Å; L470-L521 HydrophobicContact CD2-CD2 4.23Å
471	E	88.2	Confident	86	Confident	140 Å²	140	66.1 Å²	66.1	65%	0.654	35%	0.346	S	S	*	.	H	α-helix	trans	-63.1	-42.8	175	-171.4	175	-169.7	0	0	111.1	D467 T468 R474 G475	D467-E471 WeakPolarHBondContact O-CB 3.46Å; D467-E471 PolarHBondContact O-N 3.45Å; T468-E471 PolarHBondContact O-N 2.87Å; E471-R474 PolarHBondContact O-N 2.88Å; E471-G475 PolarHBondContact O-N 3.09Å
472	E	88.3	Confident	86.3	Confident	41 Å²	41	69.4 Å²	69.4	19%	0.192	36%	0.361	C	S	.	.	H	α-helix	trans	-66.9	-38	176.2	-73.2	-173.3	-150.3	0	0	113.1	T468 I469 G475 R476 M535 L552 R555	T468-E472 WeakPolarHBondContact O-CG 3.35Å; T468-E472 PolarHBondContact O-N 3.04Å; I469-E472 PolarHBondContact O-N 3.46Å; E472-G475 PolarHBondContact O-N 3.3Å; E472-R476 WeakPolarHBondContact O-CB 3.48Å; E472-R476 PolarHBondContact O-N 2.94Å; E472-M535 VanDerWaalsContact C-CE 3.42Å; E472-M535 HydrophobicContact CB-CE 3.44Å; E472-M535 VanDerWaalsContact CB-CE 3.44Å; E472-L552 WeakPolarHBondContact OE2-CD2 3.24Å; E472-R555 IonicContact OE1-CZ 2.77Å; E472-R555 IonicContact OE1-NH1 3.78Å; E472-R555 PolarHBondContact OE1-NH1 3.36Å; E472-R555 IonicContact OE1-NH2 3.38Å; E472-R555 PolarHBondContact OE1-NH2 2.74Å; E472-R555 IonicContact OE2-NH1 3.99Å; E472-R555 PolarHBondContact OE2-NH1 2.82Å
473	I	89.4	Confident	86.8	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-57.6	-51.1	174.1	-75.3	168.5	0	0	0	109.4	I469 L470 R476 F478 V480 L521 L523 W532 M535	I469-I473 HydrophobicContact CG2-CD1 3.89Å; I469-I473 HydrophobicContact CG2-CG1 4.45Å; I469-I473 VanDerWaalsContact O-CG1 3.25Å; I469-I473 WeakPolarHBondContact O-CG1 3.41Å; I469-I473 PolarHBondContact O-N 3.5Å; L470-I473 PolarHBondContact O-N 3.18Å; I473-R476 PolarHBondContact O-N 3.45Å; I473-F478 HydrophobicContact CG2-CB 3.59Å; I473-F478 HydrophobicContact CG2-CG 4.3Å; I473-F478 WeakPolarHBondContact O-CB 3.45Å; I473-F478 PolarHBondContact O-N 3.47Å; I473-V480 HydrophobicContact CG2-CG2 4.2Å; I473-L521 HydrophobicContact CD1-CD1 3.96Å; I473-L523 HydrophobicContact CD1-CD1 4.34Å; I473-L523 HydrophobicContact CG1-CD1 4.49Å; I473-L523 HydrophobicContact CG2-CD1 4.1Å; I473-L523 HydrophobicContact CG2-CD2 3.69Å; I473-W532 HydrophobicContact CD1-CH2 3.97Å; I473-W532 HydrophobicContact CD1-CZ3 3.89Å; I473-W532 HydrophobicContact CG1-CH2 4.25Å; I473-W532 HydrophobicContact CG1-CZ3 3.68Å; I473-M535 HydrophobicContact CG1-CE 4.08Å; I473-M535 HydrophobicContact CG1-SD 4.31Å
474	R	87.4	Confident	87.2	Confident	163 Å²	163	68 Å²	68	62%	0.615	35%	0.354	S	S	*	.	H	α-helix	trans	-64	-44.2	177.9	-68.6	175.9	-173	142.4	-3	111.8	L470 E471 R476 G477	L470-R474 WeakPolarHBondContact O-CG 3.29Å; L470-R474 PolarHBondContact O-N 2.89Å; E471-R474 PolarHBondContact O-N 2.88Å; R474-R476 PolarHBondContact O-N 3.27Å; R474-G477 WeakPolarHBondContact O-CA 3.37Å; R474-G477 PolarHBondContact O-N 3.38Å
475	G	82.4	Confident	87.7	Confident	70 Å²	70	65 Å²	65	72%	0.722	34%	0.34	S	S	*	.	H	α-helix	trans	-63.4	-24.1	179.3	0	0	0	0	0	113.9	E471 E472 G477	E471-G475 PolarHBondContact O-N 3.09Å; E472-G475 PolarHBondContact O-N 3.3Å; G475-G477 VanDerWaalsContact C-N 3.3Å
476	R	83.6	Confident	87.7	Confident	121 Å²	121	64.2 Å²	64.2	46%	0.457	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	7.8	170.6	-75.7	-160.4	177.2	-118.7	0.7	114.2	E472 I473 R474 F478 K525	E472-R476 WeakPolarHBondContact O-CB 3.48Å; E472-R476 PolarHBondContact O-N 2.94Å; I473-R476 PolarHBondContact O-N 3.45Å; R474-R476 PolarHBondContact O-N 3.27Å; R476-F478 HydrophobicContact CB-CD2 4.14Å; R476-F478 HydrophobicContact CB-CE2 4.33Å; R476-K525 WeakPolarHBondContact O-CE 3.46Å; R476-K525 PolarHBondContact O-NZ 2.92Å
477	G	82.3	Confident	87.9	Confident	49 Å²	49	64.1 Å²	64.1	51%	0.505	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	20.5	175.9	0	0	0	0	0	114.5	R474 G475	R474-G477 WeakPolarHBondContact O-CA 3.37Å; R474-G477 PolarHBondContact O-N 3.38Å; G475-G477 VanDerWaalsContact C-N 3.3Å
478	F	87.6	Confident	87.9	Confident	6 Å²	6	59.1 Å²	59.1	3%	0.026	32%	0.321	C	S	.	.			trans	-80.4	134.9	167.9	-72.8	-86.7	0	0	0	110.5	I473 R476 L523 K525 A528 E531 W532 M535	I473-F478 HydrophobicContact CG2-CB 3.59Å; I473-F478 HydrophobicContact CG2-CG 4.3Å; I473-F478 WeakPolarHBondContact O-CB 3.45Å; I473-F478 PolarHBondContact O-N 3.47Å; R476-F478 HydrophobicContact CB-CD2 4.14Å; R476-F478 HydrophobicContact CB-CE2 4.33Å; F478-L523 HydrophobicContact CD1-CB 3.8Å; F478-L523 HydrophobicContact CD1-CD1 4.12Å; F478-L523 HydrophobicContact CE1-CB 4.43Å; F478-L523 HydrophobicContact CE1-CD1 4.47Å; F478-L523 HydrophobicContact CG-CB 4.47Å; F478-L523 HydrophobicContact CG-CD1 4.31Å; F478-K525 HydrophobicContact CD1-CB 3.61Å; F478-K525 HydrophobicContact CD1-CD 3.93Å; F478-K525 HydrophobicContact CD1-CG 4.37Å; F478-K525 HydrophobicContact CD2-CD 4.13Å; F478-K525 HydrophobicContact CE1-CB 3.85Å; F478-K525 HydrophobicContact CE1-CD 3.9Å; F478-K525 HydrophobicContact CE2-CD 4.07Å; F478-K525 HydrophobicContact CG-CB 4.34Å; F478-K525 HydrophobicContact CG-CD 4.06Å; F478-K525 HydrophobicContact CZ-CD 3.96Å; F478-A528 HydrophobicContact CE1-CB 4.07Å; F478-E531 HydrophobicContact CE1-CB 4.26Å; F478-E531 HydrophobicContact CE2-CB 4.25Å; F478-E531 HydrophobicContact CZ-CB 3.5Å; F478-W532 HydrophobicContact CE1-CB 4.26Å; F478-W532 HydrophobicContact CZ-CB 4.01Å; F478-M535 HydrophobicContact CE2-SD 4.27Å
479	T	86.9	Confident	87.9	Confident	78 Å²	78	58.9 Å²	58.9	48%	0.479	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.9	166.8	-57.7	0	0	0	0	109.1	A481 L523 T524	T479-A481 PolarHBondContact O-N 2.9Å; T479-L523 CarbonylContact O-C 3.56Å; T479-L523 WeakPolarHBondContact O-CA 3.39Å; T479-T524 PolarHBondContact N-O 2.87Å; T479-T524 PolarHBondContact O-N 3.09Å
480	V	89.1	Confident	88	Confident	33 Å²	33	64.3 Å²	64.3	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	101	171.7	-178	0	0	0	0	107.5	I473 L483 L521 L523	I473-V480 HydrophobicContact CG2-CG2 4.2Å; V480-L483 HydrophobicContact CG1-CB 4.34Å; V480-L521 HydrophobicContact CG1-CD2 3.89Å; V480-L523 HydrophobicContact CG2-CD2 3.84Å
481	A	87.2	Confident	88	Confident	26 Å²	26	71.3 Å²	71.3	22%	0.215	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-36.4	-179.7	0	0	0	0	0	111.8	T479 I522	T479-A481 PolarHBondContact O-N 2.9Å; A481-I522 HydrophobicContact CB-CB 4.34Å; A481-I522 HydrophobicContact CB-CG2 4.2Å; A481-I522 PolarHBondContact N-O 3.46Å
482	Q	88.4	Confident	88	Confident	73 Å²	73	68.3 Å²	68.3	34%	0.341	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	149.5	178.3	-158.8	172.8	-0.7	0	0	110.5	L521 I522 F582	Q482-L521 WeakPolarHBondContact O-CA 3.29Å; Q482-I522 HydrophobicContact CB-CB 4.2Å; Q482-I522 HydrophobicContact CB-CD1 3.82Å; Q482-I522 HydrophobicContact CB-CG1 4.04Å; Q482-I522 PolarHBondContact O-N 3.15Å; Q482-F582 HydrophobicContact CB-CE1 4.21Å; Q482-F582 HydrophobicContact CG-CD1 3.96Å; Q482-F582 HydrophobicContact CG-CE1 3.79Å
483	L	92.7	Very high	88	Confident	75 Å²	75	66.4 Å²	66.4	39%	0.393	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.4	178.9	176.7	155.1	0	0	0	109.6	V480 E485 M519 M520 L521	V480-L483 HydrophobicContact CG1-CB 4.34Å; L483-E485 HydrophobicContact CD2-CG 4.38Å; L483-M519 HydrophobicContact CD1-CE 3.86Å; L483-M519 HydrophobicContact CD1-CG 4.23Å; L483-M519 HydrophobicContact CD1-SD 3.64Å; L483-M519 HydrophobicContact CD2-CE 4.3Å; L483-M519 HydrophobicContact CG-CE 4.34Å; L483-M519 HydrophobicContact CG-CG 4.04Å; L483-M519 HydrophobicContact CG-SD 4.13Å; L483-M520 CarbonylContact C-O 3.6Å; L483-M520 WeakPolarHBondContact CA-O 3.5Å; L483-L521 HydrophobicContact CB-CD2 3.73Å; L483-L521 HydrophobicContact CD1-CD2 3.44Å; L483-L521 VanDerWaalsContact CD1-CD2 3.44Å; L483-L521 HydrophobicContact CG-CD2 3.54Å
484	K	88.1	Confident	88.1	Confident	85 Å²	85	68.8 Å²	68.8	37%	0.37	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	115.9	175.6	179.8	173.9	178.7	177.8	0	110.5	M520 V581 F582	K484-M520 PolarHBondContact N-O 3.47Å; K484-M520 PolarHBondContact O-N 2.66Å; K484-V581 HydrophobicContact CD-CG1 4.38Å; K484-V581 PolarHBondContact NZ-O 3.36Å; K484-F582 HydrophobicContact CB-CD1 4.43Å; K484-F582 HydrophobicContact CB-CE1 3.51Å; K484-F582 HydrophobicContact CB-CZ 3.9Å; K484-F582 HydrophobicContact CD-CD1 4.39Å; K484-F582 HydrophobicContact CD-CE1 4.2Å
485	E	91.4	Very high	88.1	Confident	86 Å²	86	64.8 Å²	64.8	40%	0.402	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.7	168.3	-72.6	178.1	-140.2	0	0	109.6	R466 L483 C518 M519	R466-E485 IonicContact CZ-OE1 3.87Å; R466-E485 IonicContact NH1-OE1 2.95Å; R466-E485 PolarHBondContact NH1-OE1 3.35Å; R466-E485 IonicContact NH1-OE2 3.38Å; R466-E485 IonicContact NH2-OE1 2.79Å; R466-E485 PolarHBondContact NH2-OE1 3.39Å; L483-E485 HydrophobicContact CD2-CG 4.38Å; E485-C518 CarbonylContact C-O 3.33Å; E485-C518 WeakPolarHBondContact CA-O 3.35Å; E485-M519 HydrophobicContact CG-CB 4.1Å; E485-M519 HydrophobicContact CG-CE 3.6Å; E485-M519 HydrophobicContact CG-CG 4.13Å; E485-M519 WeakPolarHBondContact OE1-CE 3.39Å
486	T	87.8	Confident	88.4	Confident	36 Å²	36	61.8 Å²	61.8	22%	0.221	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	148.3	-177.8	-170.1	0	0	0	0	111.5	L488 C518	T486-L488 HydrophobicContact CG2-CD2 3.88Å; T486-C518 PolarHBondContact N-O 2.68Å; T486-C518 PolarHBondContact O-N 2.92Å; T486-C518 PolarHBondContact O-SG 3Å
487	V	89.9	Confident	88.6	Confident	83 Å²	83	56.1 Å²	56.1	50%	0.503	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.6	163.4	-176.3	0	0	0	0	107.1	P517	V487-P517 HydrophobicContact CG2-CB 4.25Å
488	L	88.3	Confident	88.8	Confident	9 Å²	9	58.8 Å²	58.8	5%	0.047	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-81	133.4	177.9	-62.1	-179.7	0	0	0	109.9	T486 M492 A493 M513 M520	T486-L488 HydrophobicContact CG2-CD2 3.88Å; L488-M492 HydrophobicContact CD2-CE 4.11Å; L488-A493 HydrophobicContact CB-CB 4.22Å; L488-A493 HydrophobicContact CD1-CB 4.4Å; L488-M513 HydrophobicContact CD1-CB 4.38Å; L488-M513 HydrophobicContact CD1-CE 3.76Å; L488-M520 HydrophobicContact CD1-CE 3.85Å; L488-M520 HydrophobicContact CD2-CE 4.18Å; L488-M520 HydrophobicContact CG-CE 4.42Å
489	S	90.3	Very high	88.7	Confident	52 Å²	52	63.4 Å²	63.4	36%	0.364	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-68.9	158.7	164.8	77	0	0	0	0	109.6	E491 M492 A493	S489-E491 VanDerWaalsContact C-N 3.26Å; S489-E491 PolarHBondContact O-N 2.82Å; S489-M492 PolarHBondContact O-N 3.25Å; S489-M492 WeakPolarHBondContact OG-CB 3.48Å; S489-M492 VanDerWaalsContact OG-CG 3.29Å; S489-M492 WeakPolarHBondContact OG-CG 3.4Å; S489-M492 PolarHBondContact OG-N 2.79Å; S489-M492 VanDerWaalsContact OG-N 3.17Å; S489-A493 WeakPolarHBondContact O-CB 3.32Å; S489-A493 PolarHBondContact O-N 3.3Å
490	R	90.4	Very high	88.7	Confident	115 Å²	115	62.2 Å²	62.2	43%	0.434	31%	0.306	S	S	.	.	H	α-helix	trans	-55.5	-44.5	177	-169.6	180	-170.8	99.8	9.8	111.8	A493 E494 V510 D511	R490-A493 PolarHBondContact O-N 3.19Å; R490-E494 HydrophobicContact CG-CG 4.44Å; R490-E494 IonicContact NE-OE1 3.71Å; R490-E494 PolarHBondContact NE-OE1 3.21Å; R490-E494 VanDerWaalsContact NE-OE1 3.16Å; R490-E494 WeakPolarHBondContact O-CB 3.33Å; R490-E494 WeakPolarHBondContact O-CG 3.28Å; R490-E494 PolarHBondContact O-N 2.96Å; R490-V510 HydrophobicContact CG-CG1 3.8Å; R490-D511 IonicContact CZ-OD1 3.33Å; R490-D511 IonicContact NH1-OD1 2.69Å; R490-D511 PolarHBondContact NH1-OD1 3.27Å; R490-D511 IonicContact NH2-OD1 3.23Å; R490-D511 PolarHBondContact NH2-OD1 2.97Å
491	E	89.5	Confident	88.6	Confident	157 Å²	157	67.8 Å²	67.8	73%	0.734	32%	0.324	S	S	*	.	H	α-helix	trans	-61.5	-45.1	178.7	-65	168.9	-175.8	0	0	111.7	S489 E494 E495	S489-E491 VanDerWaalsContact C-N 3.26Å; S489-E491 PolarHBondContact O-N 2.82Å; E491-E494 PolarHBondContact O-N 3.3Å; E491-E495 PolarHBondContact O-N 3.18Å
492	M	86.9	Confident	88.7	Confident	77 Å²	77	75.9 Å²	75.9	38%	0.379	36%	0.357	S	S	.	.	H	α-helix	trans	-64.3	-42.4	176.9	-72.1	175.3	70.6	0	0	111.9	L488 S489 E495 F496	L488-M492 HydrophobicContact CD2-CE 4.11Å; S489-M492 PolarHBondContact O-N 3.25Å; S489-M492 WeakPolarHBondContact OG-CB 3.48Å; S489-M492 VanDerWaalsContact OG-CG 3.29Å; S489-M492 WeakPolarHBondContact OG-CG 3.4Å; S489-M492 PolarHBondContact OG-N 2.79Å; S489-M492 VanDerWaalsContact OG-N 3.17Å; M492-E495 PolarHBondContact O-N 3.27Å; M492-F496 WeakPolarHBondContact O-CB 3.45Å; M492-F496 PolarHBondContact O-N 2.92Å
493	A	88.7	Confident	88.6	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-66.9	-40	178.2	0	0	0	0	0	111.9	L488 S489 R490 F496 Y497 V510 M513	L488-A493 HydrophobicContact CB-CB 4.22Å; L488-A493 HydrophobicContact CD1-CB 4.4Å; S489-A493 WeakPolarHBondContact O-CB 3.32Å; S489-A493 PolarHBondContact O-N 3.3Å; R490-A493 PolarHBondContact O-N 3.19Å; A493-F496 PolarHBondContact O-N 3.38Å; A493-Y497 WeakPolarHBondContact O-CD2 3.35Å; A493-Y497 PolarHBondContact O-N 3.48Å; A493-V510 HydrophobicContact CB-CG1 4.06Å; A493-M513 HydrophobicContact CB-CB 4.44Å
494	E	90.6	Very high	88.2	Confident	50 Å²	50	80 Å²	80	23%	0.234	38%	0.383	C	S	.	.	H	α-helix	trans	-62.9	-42.8	175.6	-76.2	-178.9	-169.8	0	0	112	R490 E491 Y497 K498 F506 V510	R490-E494 HydrophobicContact CG-CG 4.44Å; R490-E494 IonicContact NE-OE1 3.71Å; R490-E494 PolarHBondContact NE-OE1 3.21Å; R490-E494 VanDerWaalsContact NE-OE1 3.16Å; R490-E494 WeakPolarHBondContact O-CB 3.33Å; R490-E494 WeakPolarHBondContact O-CG 3.28Å; R490-E494 PolarHBondContact O-N 2.96Å; E491-E494 PolarHBondContact O-N 3.3Å; E494-Y497 CarbonylContact O-C 3.55Å; E494-K498 WeakPolarHBondContact O-CA 3.26Å; E494-K498 PolarHBondContact O-N 3.17Å; E494-F506 HydrophobicContact CB-CZ 4.09Å; E494-F506 HydrophobicContact CG-CE1 4.15Å; E494-F506 HydrophobicContact CG-CZ 4Å; E494-V510 HydrophobicContact CG-CB 4.49Å; E494-V510 HydrophobicContact CG-CG1 3.83Å; E494-V510 HydrophobicContact CG-CG2 3.89Å
495	E	88.8	Confident	88	Confident	79 Å²	79	79.8 Å²	79.8	37%	0.369	38%	0.382	S	S	.	.	H	α-helix	trans	-69	-42.2	176.8	-174.4	58.1	-154.5	0	0	111.6	E491 M492 Y497 K498 F580	E491-E495 PolarHBondContact O-N 3.18Å; M492-E495 PolarHBondContact O-N 3.27Å; E495-Y497 PolarHBondContact O-N 2.96Å; E495-K498 WeakPolarHBondContact O-CB 3.49Å; E495-K498 WeakPolarHBondContact O-CD 3.4Å; E495-K498 WeakPolarHBondContact O-CG 3.35Å; E495-K498 PolarHBondContact O-N 3.48Å; E495-K498 VanDerWaalsContact OE1-CD 3.23Å; E495-K498 WeakPolarHBondContact OE1-CD 3.45Å; E495-K498 IonicContact OE1-NZ 3.04Å; E495-K498 PolarHBondContact OE1-NZ 3.33Å; E495-F580 HydrophobicContact CB-CE2 4.2Å; E495-F580 HydrophobicContact CB-CZ 3.95Å; E495-F580 HydrophobicContact CG-CD2 4.44Å; E495-F580 HydrophobicContact CG-CE2 3.56Å; E495-F580 HydrophobicContact CG-CZ 3.83Å
496	F	87.4	Confident	87.9	Confident	8 Å²	8	76.4 Å²	76.4	4%	0.035	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-32.3	178.6	-172.7	-90.5	0	0	0	113.1	L454 V456 M492 A493 M520 K577 F580 V581	L454-F496 HydrophobicContact CD2-CE2 3.53Å; L454-F496 HydrophobicContact CD2-CZ 3.51Å; V456-F496 HydrophobicContact CG2-CE1 4.48Å; V456-F496 HydrophobicContact CG2-CZ 3.96Å; M492-F496 WeakPolarHBondContact O-CB 3.45Å; M492-F496 PolarHBondContact O-N 2.92Å; A493-F496 PolarHBondContact O-N 3.38Å; F496-M520 HydrophobicContact CE2-CE 4.32Å; F496-M520 HydrophobicContact CE2-SD 4.42Å; F496-M520 HydrophobicContact CZ-CE 4.25Å; F496-M520 HydrophobicContact CZ-SD 4.34Å; F496-K577 HydrophobicContact CE2-CB 4.41Å; F496-K577 HydrophobicContact CE2-CD 4.09Å; F496-K577 HydrophobicContact CE2-CG 4.28Å; F496-K577 HydrophobicContact CZ-CD 3.97Å; F496-K577 VanDerWaalsContact O-CE 3.28Å; F496-K577 WeakPolarHBondContact O-CE 3.35Å; F496-K577 PolarHBondContact O-NZ 3.4Å; F496-F580 HydrophobicContact CB-CE1 4.1Å; F496-F580 AromaticContact CD2-CD1 3.96Å; F496-F580 HydrophobicContact CD2-CD1 3.96Å; F496-F580 HydrophobicContact CD2-CE1 4.11Å; F496-V581 HydrophobicContact CD2-CG2 4.06Å; F496-V581 HydrophobicContact CE2-CG2 3.75Å
497	Y	87.4	Confident	87.9	Confident	1 Å²	1	78.4 Å²	78.4	0%	0.004	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	18.7	179	-69.8	-71.7	0	0	0	113.7	A493 E494 E495 E499 H500 F506 L509 M513 H566	A493-Y497 WeakPolarHBondContact O-CD2 3.35Å; A493-Y497 PolarHBondContact O-N 3.48Å; E494-Y497 CarbonylContact O-C 3.55Å; E495-Y497 PolarHBondContact O-N 2.96Å; Y497-E499 PolarHBondContact O-N 3.5Å; Y497-H500 AromaticContact CD1-CD2 3.95Å; Y497-H500 WeakPolarHBondContact O-CB 3.49Å; Y497-H500 PolarHBondContact O-N 2.81Å; Y497-F506 VanDerWaalsContact O-CE2 3.26Å; Y497-F506 WeakPolarHBondContact O-CE2 3.24Å; Y497-L509 HydrophobicContact CD1-CD2 3.59Å; Y497-L509 HydrophobicContact CD1-CG 4.41Å; Y497-L509 HydrophobicContact CD2-CD2 4.27Å; Y497-L509 HydrophobicContact CD2-CG 4.31Å; Y497-L509 HydrophobicContact CE1-CD2 3.9Å; Y497-L509 HydrophobicContact CE1-CG 4.48Å; Y497-L509 HydrophobicContact CE2-CG 4.42Å; Y497-L509 HydrophobicContact CG-CD2 3.79Å; Y497-L509 HydrophobicContact CG-CG 4.32Å; Y497-M513 HydrophobicContact CE2-CE 4.38Å; Y497-M513 HydrophobicContact CE2-CG 3.71Å; Y497-M513 HydrophobicContact CE2-SD 4.42Å; Y497-H566 AromaticContact CE1-CE1 3.85Å; Y497-H566 AromaticContact CE1-ND1 3.75Å
498	K	87.9	Confident	87.9	Confident	106 Å²	106	79.3 Å²	79.3	46%	0.461	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-53.9	-29.7	-173.7	69.6	-170.5	174.3	-172.2	0	115	E494 E495 H500 R501	E494-K498 WeakPolarHBondContact O-CA 3.26Å; E494-K498 PolarHBondContact O-N 3.17Å; E495-K498 WeakPolarHBondContact O-CB 3.49Å; E495-K498 WeakPolarHBondContact O-CD 3.4Å; E495-K498 WeakPolarHBondContact O-CG 3.35Å; E495-K498 PolarHBondContact O-N 3.48Å; E495-K498 VanDerWaalsContact OE1-CD 3.23Å; E495-K498 WeakPolarHBondContact OE1-CD 3.45Å; E495-K498 IonicContact OE1-NZ 3.04Å; E495-K498 PolarHBondContact OE1-NZ 3.33Å; K498-H500 PolarHBondContact O-N 3.42Å; K498-H500 VanDerWaalsContact O-N 3.17Å; K498-R501 WeakPolarHBondContact O-CB 3.46Å; K498-R501 PolarHBondContact O-N 3.07Å
499	E	85.6	Confident	87.8	Confident	102 Å²	102	79.5 Å²	79.5	48%	0.477	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-63	-19.7	176.1	-55.3	173.3	138.4	0	0	113	Y497 H573 K577	Y497-E499 PolarHBondContact O-N 3.5Å; E499-H573 IonicContact OE1-CD2 2.62Å; E499-H573 IonicContact OE1-CE1 3.91Å; E499-H573 PolarHBondContact OE1-CE1 3.19Å; E499-H573 IonicContact OE1-ND1 3.41Å; E499-H573 IonicContact OE1-NE2 3.8Å; E499-H573 PolarHBondContact OE1-NE2 2.88Å; E499-H573 IonicContact OE2-CE1 3.85Å; E499-H573 PolarHBondContact OE2-CE1 3.33Å; E499-H573 IonicContact OE2-ND1 2.9Å; E499-H573 IonicContact OE2-NE2 3.82Å; E499-H573 PolarHBondContact OE2-NE2 2.81Å; E499-K577 IonicContact OE2-NZ 3.61Å
500	H	86.6	Confident	87.8	Confident	54 Å²	54	77.1 Å²	77.1	25%	0.25	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-101.4	5.2	178.2	-58.2	-28.8	0	0	0	112.7	Y497 K498 E502 K503 F505 F506	Y497-H500 AromaticContact CD1-CD2 3.95Å; Y497-H500 WeakPolarHBondContact O-CB 3.49Å; Y497-H500 PolarHBondContact O-N 2.81Å; K498-H500 PolarHBondContact O-N 3.42Å; K498-H500 VanDerWaalsContact O-N 3.17Å; H500-E502 PolarHBondContact O-N 3.3Å; H500-E502 VanDerWaalsContact O-N 3.08Å; H500-K503 HydrophobicContact CB-CG 4.24Å; H500-K503 VanDerWaalsContact O-CB 3.23Å; H500-K503 WeakPolarHBondContact O-CB 3.31Å; H500-K503 PolarHBondContact O-N 3.15Å; H500-F505 HydrophobicContact CB-CE2 4.34Å; H500-F506 HydrophobicContact CB-CD2 4.07Å; H500-F506 WeakPolarHBondContact O-CB 3.44Å
501	R	87	Confident	87.7	Confident	150 Å²	150	74.5 Å²	74.5	57%	0.566	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.6	-172.4	-164.6	176.2	-135.1	170.4	6.7	114.3	K498 K503 F506	K498-R501 WeakPolarHBondContact O-CB 3.46Å; K498-R501 PolarHBondContact O-N 3.07Å; R501-K503 VanDerWaalsContact C-N 3.35Å; R501-F506 HydrophobicContact CB-CE1 4.4Å; R501-F506 HydrophobicContact CB-CE2 4.42Å; R501-F506 HydrophobicContact CB-CZ 4.29Å; R501-F506 HydrophobicContact CG-CD1 4.31Å; R501-F506 HydrophobicContact CG-CE1 3.94Å; R501-F506 HydrophobicContact CG-CZ 4.18Å
502	E	88.1	Confident	87.6	Confident	195 Å²	195	67.3 Å²	67.3	91%	0.911	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.8	178.5	-59.4	-172.7	165.9	0	0	113.7	H500	H500-E502 PolarHBondContact O-N 3.3Å; H500-E502 VanDerWaalsContact O-N 3.08Å
503	K	87.3	Confident	87.6	Confident	112 Å²	112	63.6 Å²	63.6	49%	0.487	30%	0.304	S	S	.	.	S	Bend	trans	-83.2	142.4	-178.9	-61.2	-71.5	-177.8	178.5	0	110.6	H500 R501 F505 F506	H500-K503 HydrophobicContact CB-CG 4.24Å; H500-K503 VanDerWaalsContact O-CB 3.23Å; H500-K503 WeakPolarHBondContact O-CB 3.31Å; H500-K503 PolarHBondContact O-N 3.15Å; R501-K503 VanDerWaalsContact C-N 3.35Å; K503-F505 HydrophobicContact CB-CD1 3.95Å; K503-F505 HydrophobicContact CB-CD2 4.37Å; K503-F505 HydrophobicContact CB-CE1 3.58Å; K503-F505 HydrophobicContact CB-CE2 4.03Å; K503-F505 HydrophobicContact CB-CG 4.34Å; K503-F505 HydrophobicContact CB-CZ 3.62Å; K503-F505 HydrophobicContact CD-CE1 4.12Å; K503-F505 HydrophobicContact CD-CZ 4.27Å; K503-F505 HydrophobicContact CG-CE1 3.96Å; K503-F505 HydrophobicContact CG-CE2 4.43Å; K503-F505 HydrophobicContact CG-CZ 3.75Å; K503-F505 PolarHBondContact O-N 3.12Å; K503-F506 VanDerWaalsContact O-CB 3.31Å; K503-F506 WeakPolarHBondContact O-CB 3.5Å; K503-F506 PolarHBondContact O-N 3.26Å
504	P	85	Confident	87.7	Confident	123 Å²	123	65.4 Å²	65.4	80%	0.799	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.8	-177	25.4	-34.7	0	0	0	114.1
505	F	83.9	Confident	87.6	Confident	80 Å²	80	71.2 Å²	71.2	35%	0.351	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.5	178.6	58.4	-101.2	0	0	0	114.2	H500 K503 T507 Q508 L509 L561	H500-F505 HydrophobicContact CB-CE2 4.34Å; K503-F505 HydrophobicContact CB-CD1 3.95Å; K503-F505 HydrophobicContact CB-CD2 4.37Å; K503-F505 HydrophobicContact CB-CE1 3.58Å; K503-F505 HydrophobicContact CB-CE2 4.03Å; K503-F505 HydrophobicContact CB-CG 4.34Å; K503-F505 HydrophobicContact CB-CZ 3.62Å; K503-F505 HydrophobicContact CD-CE1 4.12Å; K503-F505 HydrophobicContact CD-CZ 4.27Å; K503-F505 HydrophobicContact CG-CE1 3.96Å; K503-F505 HydrophobicContact CG-CE2 4.43Å; K503-F505 HydrophobicContact CG-CZ 3.75Å; K503-F505 PolarHBondContact O-N 3.12Å; F505-T507 PolarHBondContact O-N 2.72Å; F505-Q508 PolarHBondContact O-N 3.38Å; F505-L509 PolarHBondContact O-N 3.35Å; F505-L561 HydrophobicContact CB-CD2 3.86Å
506	F	87.8	Confident	87.5	Confident	15 Å²	15	68 Å²	68	7%	0.066	33%	0.325	C	S	.	.	H	α-helix	trans	-56.8	-51	-172.7	177.9	-110.2	0	0	0	113.3	E494 Y497 H500 R501 K503 Q508 L509 V510	E494-F506 HydrophobicContact CB-CZ 4.09Å; E494-F506 HydrophobicContact CG-CE1 4.15Å; E494-F506 HydrophobicContact CG-CZ 4Å; Y497-F506 VanDerWaalsContact O-CE2 3.26Å; Y497-F506 WeakPolarHBondContact O-CE2 3.24Å; H500-F506 HydrophobicContact CB-CD2 4.07Å; H500-F506 WeakPolarHBondContact O-CB 3.44Å; R501-F506 HydrophobicContact CB-CE1 4.4Å; R501-F506 HydrophobicContact CB-CE2 4.42Å; R501-F506 HydrophobicContact CB-CZ 4.29Å; R501-F506 HydrophobicContact CG-CD1 4.31Å; R501-F506 HydrophobicContact CG-CE1 3.94Å; R501-F506 HydrophobicContact CG-CZ 4.18Å; K503-F506 VanDerWaalsContact O-CB 3.31Å; K503-F506 WeakPolarHBondContact O-CB 3.5Å; K503-F506 PolarHBondContact O-N 3.26Å; F506-Q508 VanDerWaalsContact C-N 3.27Å; F506-Q508 PolarHBondContact O-N 3.12Å; F506-L509 WeakPolarHBondContact O-CB 3.45Å; F506-L509 PolarHBondContact O-N 3.03Å; F506-L509 VanDerWaalsContact O-N 3.15Å; F506-V510 HydrophobicContact CD1-CG2 4.48Å; F506-V510 HydrophobicContact CD2-CG2 4.29Å; F506-V510 HydrophobicContact CE1-CG2 4.1Å; F506-V510 HydrophobicContact CE2-CG2 3.89Å; F506-V510 HydrophobicContact CZ-CG2 3.81Å; F506-V510 WeakPolarHBondContact O-CG2 3.38Å; F506-V510 PolarHBondContact O-N 2.96Å
507	T	89.6	Confident	87.6	Confident	78 Å²	78	70.9 Å²	70.9	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-59	-41.3	180	-51.4	0	0	0	0	111.5	F505 V510 D511	F505-T507 PolarHBondContact O-N 2.72Å; T507-V510 PolarHBondContact O-N 3.33Å; T507-D511 WeakPolarHBondContact O-CB 3.39Å; T507-D511 PolarHBondContact O-N 2.86Å
508	Q	88	Confident	87.8	Confident	103 Å²	103	70.8 Å²	70.8	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-68.1	-38	179.4	-62.1	177.7	39.4	0	0	111.7	F505 F506 F512 L561	F505-Q508 PolarHBondContact O-N 3.38Å; F506-Q508 VanDerWaalsContact C-N 3.27Å; F506-Q508 PolarHBondContact O-N 3.12Å; Q508-F512 VanDerWaalsContact O-CB 3.23Å; Q508-F512 WeakPolarHBondContact O-CB 3.36Å; Q508-F512 PolarHBondContact O-N 3.34Å; Q508-L561 HydrophobicContact CB-CD2 3.97Å; Q508-L561 VanDerWaalsContact OE1-CD1 3.23Å
509	L	86.8	Confident	88	Confident	13 Å²	13	65.8 Å²	65.8	7%	0.068	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-44.1	175.1	174.8	62.9	0	0	0	111.9	Y497 F505 F506 F512 M513	Y497-L509 HydrophobicContact CD1-CD2 3.59Å; Y497-L509 HydrophobicContact CD1-CG 4.41Å; Y497-L509 HydrophobicContact CD2-CD2 4.27Å; Y497-L509 HydrophobicContact CD2-CG 4.31Å; Y497-L509 HydrophobicContact CE1-CD2 3.9Å; Y497-L509 HydrophobicContact CE1-CG 4.48Å; Y497-L509 HydrophobicContact CE2-CG 4.42Å; Y497-L509 HydrophobicContact CG-CD2 3.79Å; Y497-L509 HydrophobicContact CG-CG 4.32Å; F505-L509 PolarHBondContact O-N 3.35Å; F506-L509 WeakPolarHBondContact O-CB 3.45Å; F506-L509 PolarHBondContact O-N 3.03Å; F506-L509 VanDerWaalsContact O-N 3.15Å; L509-F512 PolarHBondContact O-N 3.4Å; L509-M513 HydrophobicContact CD1-CG 4.32Å; L509-M513 VanDerWaalsContact O-CG 3.3Å; L509-M513 WeakPolarHBondContact O-CG 3.43Å; L509-M513 PolarHBondContact O-N 3.44Å
510	V	90	Very high	88.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-62.7	-50.1	176.2	168.6	0	0	0	0	110.2	R490 A493 E494 F506 T507 F512 M513 C514	R490-V510 HydrophobicContact CG-CG1 3.8Å; A493-V510 HydrophobicContact CB-CG1 4.06Å; E494-V510 HydrophobicContact CG-CB 4.49Å; E494-V510 HydrophobicContact CG-CG1 3.83Å; E494-V510 HydrophobicContact CG-CG2 3.89Å; F506-V510 HydrophobicContact CD1-CG2 4.48Å; F506-V510 HydrophobicContact CD2-CG2 4.29Å; F506-V510 HydrophobicContact CE1-CG2 4.1Å; F506-V510 HydrophobicContact CE2-CG2 3.89Å; F506-V510 HydrophobicContact CZ-CG2 3.81Å; F506-V510 WeakPolarHBondContact O-CG2 3.38Å; F506-V510 PolarHBondContact O-N 2.96Å; T507-V510 PolarHBondContact O-N 3.33Å; V510-F512 VanDerWaalsContact C-N 3.25Å; V510-F512 PolarHBondContact O-N 3.24Å; V510-M513 PolarHBondContact O-N 3.42Å; V510-C514 PolarHBondContact O-N 3.15Å; V510-C514 VanDerWaalsContact O-N 3.12Å; V510-C514 PolarHBondContact O-SG 2.87Å
511	D	89.5	Confident	88.6	Confident	60 Å²	60	58.3 Å²	58.3	32%	0.321	29%	0.287	S	S	.	.	H	α-helix	trans	-58.1	-42.1	178.6	-70.5	-19.4	0	0	0	110.6	R490 T507 C514 R515	R490-D511 IonicContact CZ-OD1 3.33Å; R490-D511 IonicContact NH1-OD1 2.69Å; R490-D511 PolarHBondContact NH1-OD1 3.27Å; R490-D511 IonicContact NH2-OD1 3.23Å; R490-D511 PolarHBondContact NH2-OD1 2.97Å; T507-D511 WeakPolarHBondContact O-CB 3.39Å; T507-D511 PolarHBondContact O-N 2.86Å; D511-C514 PolarHBondContact O-N 3.45Å; D511-R515 WeakPolarHBondContact O-CG 3.2Å; D511-R515 PolarHBondContact O-N 3.12Å
512	F	86.3	Confident	88.9	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-48.2	176.9	178.5	-116.3	0	0	0	112.7	K458 D460 Q508 L509 V510 C514 R515 H562	K458-F512 HydrophobicContact CB-CE1 3.99Å; K458-F512 HydrophobicContact CD-CD1 4.1Å; K458-F512 HydrophobicContact CD-CE1 3.58Å; K458-F512 HydrophobicContact CG-CE1 4.46Å; D460-F512 HydrophobicContact CB-CZ 4.31Å; D460-F512 WeakPolarHBondContact OD1-CE2 3.44Å; D460-F512 VanDerWaalsContact OD2-CE2 3.31Å; D460-F512 WeakPolarHBondContact OD2-CE2 3.23Å; Q508-F512 VanDerWaalsContact O-CB 3.23Å; Q508-F512 WeakPolarHBondContact O-CB 3.36Å; Q508-F512 PolarHBondContact O-N 3.34Å; L509-F512 PolarHBondContact O-N 3.4Å; V510-F512 VanDerWaalsContact C-N 3.25Å; V510-F512 PolarHBondContact O-N 3.24Å; F512-C514 PolarHBondContact O-N 3.35Å; F512-R515 WeakPolarHBondContact O-CB 3.39Å; F512-R515 PolarHBondContact O-N 3.33Å; F512-R515 VanDerWaalsContact O-N 3.15Å; F512-H562 AromaticContact CD2-CD2 3.73Å; F512-H562 AromaticContact CE2-CD2 3.33Å; F512-H562 WeakPolarHBondContact CE2-CD2 3.34Å; F512-H562 AromaticContact CZ-CD2 3.9Å
513	M	88.3	Confident	89.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.8	-20.1	-179.5	-70	-66.3	-57.1	0	0	113.7	V456 K458 L488 A493 Y497 L509 V510 C518	V456-M513 HydrophobicContact CG1-CE 4.16Å; K458-M513 HydrophobicContact CB-SD 4.32Å; K458-M513 HydrophobicContact CD-SD 3.55Å; K458-M513 VanDerWaalsContact CD-SD 3.55Å; K458-M513 HydrophobicContact CG-SD 3.79Å; L488-M513 HydrophobicContact CD1-CB 4.38Å; L488-M513 HydrophobicContact CD1-CE 3.76Å; A493-M513 HydrophobicContact CB-CB 4.44Å; Y497-M513 HydrophobicContact CE2-CE 4.38Å; Y497-M513 HydrophobicContact CE2-CG 3.71Å; Y497-M513 HydrophobicContact CE2-SD 4.42Å; L509-M513 HydrophobicContact CD1-CG 4.32Å; L509-M513 VanDerWaalsContact O-CG 3.3Å; L509-M513 WeakPolarHBondContact O-CG 3.43Å; L509-M513 PolarHBondContact O-N 3.44Å; V510-M513 PolarHBondContact O-N 3.42Å; M513-C518 HydrophobicContact CE-CB 4.05Å
514	C	89.9	Confident	89.1	Confident	38 Å²	38	37.3 Å²	37.3	26%	0.257	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.1	176.1	-60.3	0	0	0	0	113.6	V510 D511 F512 G516	V510-C514 PolarHBondContact O-N 3.15Å; V510-C514 VanDerWaalsContact O-N 3.12Å; V510-C514 PolarHBondContact O-SG 2.87Å; D511-C514 PolarHBondContact O-N 3.45Å; F512-C514 PolarHBondContact O-N 3.35Å; C514-G516 VanDerWaalsContact C-N 3.33Å; C514-G516 PolarHBondContact O-N 3.46Å
515	R	89	Confident	89.2	Confident	171 Å²	171	33.3 Å²	33.3	65%	0.645	17%	0.168	S	C	*	.	S	Bend	trans	-70.7	-25.8	-174.7	-77.6	173.2	-175.7	-178.8	0.5	114.1	D511 F512	D511-R515 WeakPolarHBondContact O-CG 3.2Å; D511-R515 PolarHBondContact O-N 3.12Å; F512-R515 WeakPolarHBondContact O-CB 3.39Å; F512-R515 PolarHBondContact O-N 3.33Å; F512-R515 VanDerWaalsContact O-N 3.15Å
516	G	86.9	Confident	89.3	Confident	13 Å²	13	32 Å²	32	13%	0.134	16%	0.163	C	C	.	.	S	Bend	trans	-165.9	-179	-172.4	0	0	0	0	0	112.9	C514	C514-G516 VanDerWaalsContact C-N 3.33Å; C514-G516 PolarHBondContact O-N 3.46Å
517	P	89.3	Confident	89	Confident	67 Å²	67	31.6 Å²	31.6	44%	0.435	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	141.5	176.3	28.1	-33.4	0	0	0	110.1	P459 L462 V487	P459-P517 VanDerWaalsContact CA-O 3.23Å; P459-P517 WeakPolarHBondContact CA-O 3.3Å; P459-P517 WeakPolarHBondContact CB-O 3.39Å; L462-P517 HydrophobicContact CD2-CB 4.11Å; L462-P517 HydrophobicContact CD2-CG 4.29Å; L462-P517 WeakPolarHBondContact CD2-O 3.37Å; V487-P517 HydrophobicContact CG2-CB 4.25Å
518	C	91.7	Very high	89	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	158.4	167.9	66.9	0	0	0	0	109	I457 P459 E485 T486 M513	I457-C518 WeakPolarHBondContact O-CA 3.32Å; I457-C518 WeakPolarHBondContact O-CB 3.49Å; P459-C518 HydrophobicContact CG-CB 4.33Å; E485-C518 CarbonylContact C-O 3.33Å; E485-C518 WeakPolarHBondContact CA-O 3.35Å; T486-C518 PolarHBondContact N-O 2.68Å; T486-C518 PolarHBondContact O-N 2.92Å; T486-C518 PolarHBondContact O-SG 3Å; M513-C518 HydrophobicContact CE-CB 4.05Å
519	M	91.9	Very high	89	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.4	178.7	179.9	-176.8	-77.3	0	0	109.9	V456 I457 L462 R466 L470 L483 E485 L521	V456-M519 CarbonylContact C-O 3.6Å; V456-M519 VanDerWaalsContact CA-O 3.31Å; V456-M519 WeakPolarHBondContact CA-O 3.41Å; I457-M519 HydrophobicContact CB-CB 4.2Å; I457-M519 HydrophobicContact CD1-SD 3.95Å; I457-M519 PolarHBondContact N-O 3.44Å; I457-M519 PolarHBondContact O-N 3.28Å; L462-M519 HydrophobicContact CD1-CB 3.78Å; L462-M519 HydrophobicContact CD1-CE 3.75Å; L462-M519 HydrophobicContact CD1-SD 4.31Å; L462-M519 HydrophobicContact CD2-CB 4.31Å; R466-M519 HydrophobicContact CG-CE 4.22Å; R466-M519 VanDerWaalsContact CZ-CE 3.49Å; L470-M519 HydrophobicContact CD1-SD 4.3Å; L470-M519 HydrophobicContact CD2-SD 4.24Å; L483-M519 HydrophobicContact CD1-CE 3.86Å; L483-M519 HydrophobicContact CD1-CG 4.23Å; L483-M519 HydrophobicContact CD1-SD 3.64Å; L483-M519 HydrophobicContact CD2-CE 4.3Å; L483-M519 HydrophobicContact CG-CE 4.34Å; L483-M519 HydrophobicContact CG-CG 4.04Å; L483-M519 HydrophobicContact CG-SD 4.13Å; E485-M519 HydrophobicContact CG-CB 4.1Å; E485-M519 HydrophobicContact CG-CE 3.6Å; E485-M519 HydrophobicContact CG-CG 4.13Å; E485-M519 WeakPolarHBondContact OE1-CE 3.39Å; M519-L521 HydrophobicContact CG-CD2 3.94Å; M519-L521 HydrophobicContact CG-CG 4.08Å; M519-L521 HydrophobicContact SD-CD1 4.38Å; M519-L521 HydrophobicContact SD-CD2 3.91Å; M519-L521 HydrophobicContact SD-CG 4.32Å
520	M	92.8	Very high	89	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.3	175.5	-60.5	-76.6	178.1	0	0	108.5	L454 V456 L483 K484 L488 F496 V581 F582	L454-M520 HydrophobicContact CD1-CB 4.45Å; L454-M520 HydrophobicContact CD2-SD 4.31Å; V456-M520 HydrophobicContact CB-SD 4.01Å; V456-M520 HydrophobicContact CG1-CE 3.72Å; V456-M520 HydrophobicContact CG1-SD 3.63Å; V456-M520 HydrophobicContact CG2-CE 4.16Å; V456-M520 HydrophobicContact CG2-SD 3.35Å; V456-M520 WeakPolarHBondContact CG2-SD 3.3Å; L483-M520 CarbonylContact C-O 3.6Å; L483-M520 WeakPolarHBondContact CA-O 3.5Å; K484-M520 PolarHBondContact N-O 3.47Å; K484-M520 PolarHBondContact O-N 2.66Å; L488-M520 HydrophobicContact CD1-CE 3.85Å; L488-M520 HydrophobicContact CD2-CE 4.18Å; L488-M520 HydrophobicContact CG-CE 4.42Å; F496-M520 HydrophobicContact CE2-CE 4.32Å; F496-M520 HydrophobicContact CE2-SD 4.42Å; F496-M520 HydrophobicContact CZ-CE 4.25Å; F496-M520 HydrophobicContact CZ-SD 4.34Å; M520-V581 HydrophobicContact CB-CG1 3.9Å; M520-V581 HydrophobicContact CG-CG1 3.86Å; M520-V581 HydrophobicContact SD-CG1 4.48Å; M520-V581 HydrophobicContact SD-CG2 4.38Å; M520-F582 HydrophobicContact CB-CE2 4.14Å; M520-F582 HydrophobicContact CB-CZ 3.94Å
521	L	92.8	Very high	88.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133	-175.8	-60	166.7	0	0	0	109.3	L454 A455 I457 L470 I473 V480 Q482 L483 M519 L523	L454-L521 WeakPolarHBondContact CA-O 3.3Å; A455-L521 HydrophobicContact CB-CB 4.14Å; A455-L521 HydrophobicContact CB-CD1 4.49Å; A455-L521 PolarHBondContact N-O 3.12Å; A455-L521 PolarHBondContact O-N 2.91Å; I457-L521 HydrophobicContact CD1-CD1 4.02Å; I457-L521 HydrophobicContact CG1-CD1 4.25Å; L470-L521 HydrophobicContact CD2-CD1 3.81Å; L470-L521 HydrophobicContact CD2-CD2 4.23Å; I473-L521 HydrophobicContact CD1-CD1 3.96Å; V480-L521 HydrophobicContact CG1-CD2 3.89Å; Q482-L521 WeakPolarHBondContact O-CA 3.29Å; L483-L521 HydrophobicContact CB-CD2 3.73Å; L483-L521 HydrophobicContact CD1-CD2 3.44Å; L483-L521 VanDerWaalsContact CD1-CD2 3.44Å; L483-L521 HydrophobicContact CG-CD2 3.54Å; M519-L521 HydrophobicContact CG-CD2 3.94Å; M519-L521 HydrophobicContact CG-CG 4.08Å; M519-L521 HydrophobicContact SD-CD1 4.38Å; M519-L521 HydrophobicContact SD-CD2 3.91Å; M519-L521 HydrophobicContact SD-CG 4.32Å; L521-L523 HydrophobicContact CB-CD2 3.92Å; L521-L523 HydrophobicContact CB-CG 4.36Å; L521-L523 HydrophobicContact CD1-CD2 4.44Å
522	I	92.8	Very high	89.1	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.1	163.3	-53.5	-178.7	0	0	0	107.1	R452 A481 Q482 I578 F582 I585	R452-I522 HydrophobicContact CB-CG2 4.18Å; A481-I522 HydrophobicContact CB-CB 4.34Å; A481-I522 HydrophobicContact CB-CG2 4.2Å; A481-I522 PolarHBondContact N-O 3.46Å; Q482-I522 HydrophobicContact CB-CB 4.2Å; Q482-I522 HydrophobicContact CB-CD1 3.82Å; Q482-I522 HydrophobicContact CB-CG1 4.04Å; Q482-I522 PolarHBondContact O-N 3.15Å; I522-I578 HydrophobicContact CD1-CG2 3.75Å; I522-I578 HydrophobicContact CG1-CG1 4.46Å; I522-I578 HydrophobicContact CG1-CG2 4.3Å; I522-I578 HydrophobicContact CG2-CD1 4.15Å; I522-F582 HydrophobicContact CD1-CB 4.3Å; I522-F582 HydrophobicContact CD1-CD1 4.27Å; I522-F582 HydrophobicContact CD1-CD2 3.7Å; I522-F582 HydrophobicContact CD1-CE2 4.01Å; I522-F582 HydrophobicContact CD1-CG 3.84Å; I522-F582 HydrophobicContact CD1-CZ 4.4Å; I522-F582 HydrophobicContact CG1-CD2 3.76Å; I522-F582 HydrophobicContact CG1-CE1 4.46Å; I522-F582 HydrophobicContact CG1-CE2 3.55Å; I522-F582 HydrophobicContact CG1-CG 4.32Å; I522-F582 HydrophobicContact CG1-CZ 3.93Å; I522-I585 HydrophobicContact CD1-CD1 3.37Å
523	L	91.4	Very high	89.3	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	138.2	176.2	-54.7	-174.7	0	0	0	109.6	R452 T453 A455 I473 F478 T479 V480 L521 W532	R452-L523 CarbonylContact C-O 3.56Å; R452-L523 VanDerWaalsContact CA-O 3.27Å; R452-L523 WeakPolarHBondContact CA-O 3.35Å; T453-L523 HydrophobicContact CG2-CB 3.9Å; T453-L523 PolarHBondContact N-O 3.48Å; T453-L523 PolarHBondContact O-N 3.12Å; A455-L523 HydrophobicContact CB-CD1 3.45Å; A455-L523 VanDerWaalsContact CB-CD1 3.45Å; A455-L523 HydrophobicContact CB-CG 3.76Å; I473-L523 HydrophobicContact CD1-CD1 4.34Å; I473-L523 HydrophobicContact CG1-CD1 4.49Å; I473-L523 HydrophobicContact CG2-CD1 4.1Å; I473-L523 HydrophobicContact CG2-CD2 3.69Å; F478-L523 HydrophobicContact CD1-CB 3.8Å; F478-L523 HydrophobicContact CD1-CD1 4.12Å; F478-L523 HydrophobicContact CE1-CB 4.43Å; F478-L523 HydrophobicContact CE1-CD1 4.47Å; F478-L523 HydrophobicContact CG-CB 4.47Å; F478-L523 HydrophobicContact CG-CD1 4.31Å; T479-L523 CarbonylContact O-C 3.56Å; T479-L523 WeakPolarHBondContact O-CA 3.39Å; V480-L523 HydrophobicContact CG2-CD2 3.84Å; L521-L523 HydrophobicContact CB-CD2 3.92Å; L521-L523 HydrophobicContact CB-CG 4.36Å; L521-L523 HydrophobicContact CD1-CD2 4.44Å; L523-W532 HydrophobicContact CD1-CD2 3.99Å; L523-W532 HydrophobicContact CD1-CE3 3.8Å; L523-W532 HydrophobicContact CD1-CG 4.48Å; L523-W532 HydrophobicContact CD1-CZ3 4.17Å
524	T	87.7	Confident	89.3	Confident	16 Å²	16	33.1 Å²	33.1	10%	0.098	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.7	178.8	-54.6	0	0	0	0	110.1	Q450 Q451 R452 T479	Q450-T524 HydrophobicContact CG-CG2 3.53Å; Q451-T524 WeakPolarHBondContact O-CA 3.26Å; R452-T524 HydrophobicContact CG-CG2 4.37Å; T479-T524 PolarHBondContact N-O 2.87Å; T479-T524 PolarHBondContact O-N 3.09Å
525	K	87.6	Confident	89.3	Confident	38 Å²	38	31.5 Å²	31.5	17%	0.165	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	156.9	-180	-167.2	-178.6	170.9	-178	0	109.5	Q451 R476 F478 N527 A528 E531	Q451-K525 PolarHBondContact N-O 2.84Å; Q451-K525 PolarHBondContact O-N 2.88Å; Q451-K525 VanDerWaalsContact O-N 3.1Å; R476-K525 WeakPolarHBondContact O-CE 3.46Å; R476-K525 PolarHBondContact O-NZ 2.92Å; F478-K525 HydrophobicContact CD1-CB 3.61Å; F478-K525 HydrophobicContact CD1-CD 3.93Å; F478-K525 HydrophobicContact CD1-CG 4.37Å; F478-K525 HydrophobicContact CD2-CD 4.13Å; F478-K525 HydrophobicContact CE1-CB 3.85Å; F478-K525 HydrophobicContact CE1-CD 3.9Å; F478-K525 HydrophobicContact CE2-CD 4.07Å; F478-K525 HydrophobicContact CG-CB 4.34Å; F478-K525 HydrophobicContact CG-CD 4.06Å; F478-K525 HydrophobicContact CZ-CD 3.96Å; K525-N527 PolarHBondContact O-N 3.39Å; K525-A528 HydrophobicContact CB-CB 4.02Å; K525-A528 WeakPolarHBondContact O-CB 3.32Å; K525-A528 PolarHBondContact O-N 3.31Å; K525-A528 VanDerWaalsContact O-N 3.16Å; K525-E531 HydrophobicContact CD-CB 4.39Å; K525-E531 HydrophobicContact CD-CG 4.33Å; K525-E531 IonicContact NZ-OE2 2.95Å; K525-E531 PolarHBondContact NZ-OE2 2.88Å
526	E	84.9	Confident	89.4	Confident	53 Å²	53	23.6 Å²	23.6	25%	0.248	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	127.9	162.9	-63	165.4	143	0	0	109.1	R317 L347 A528	R317-E526 IonicContact NH1-OE1 2.87Å; R317-E526 PolarHBondContact NH1-OE1 3.22Å; R317-E526 VanDerWaalsContact NH1-OE1 3.11Å; R317-E526 IonicContact NH1-OE2 2.84Å; R317-E526 PolarHBondContact NH1-OE2 3.28Å; L347-E526 HydrophobicContact CD1-CB 3.7Å; L347-E526 HydrophobicContact CD1-CG 4.18Å; L347-E526 VanDerWaalsContact CD1-OE2 3.26Å; L347-E526 WeakPolarHBondContact CD1-OE2 3.47Å; E526-A528 VanDerWaalsContact C-N 3.28Å; E526-A528 PolarHBondContact O-N 3.15Å
527	N	82.8	Confident	89.5	Confident	7 Å²	7	23.5 Å²	23.5	4%	0.037	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	35.2	-172.1	-62.7	-49.3	0	0	0	114.8	K349 K525 V529 E530 E531	K349-N527 PolarHBondContact NZ-OD1 3.27Å; K525-N527 PolarHBondContact O-N 3.39Å; N527-V529 PolarHBondContact O-N 3.17Å; N527-E530 HydrophobicContact CB-CB 4.48Å; N527-E530 PolarHBondContact O-N 2.9Å; N527-E530 VanDerWaalsContact O-N 3.14Å; N527-E531 HydrophobicContact CB-CG 4.28Å; N527-E531 WeakPolarHBondContact O-CB 3.44Å; N527-E531 WeakPolarHBondContact O-CG 3.28Å; N527-E531 PolarHBondContact O-N 3.33Å
528	A	88.6	Confident	89.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-50.5	-38.4	-173.1	0	0	0	0	0	114.5	Q451 T453 F478 K525 E526 W532	Q451-A528 HydrophobicContact CB-CB 3.88Å; Q451-A528 VanDerWaalsContact O-CB 3.28Å; Q451-A528 WeakPolarHBondContact O-CB 3.21Å; T453-A528 HydrophobicContact CG2-CB 3.95Å; F478-A528 HydrophobicContact CE1-CB 4.07Å; K525-A528 HydrophobicContact CB-CB 4.02Å; K525-A528 WeakPolarHBondContact O-CB 3.32Å; K525-A528 PolarHBondContact O-N 3.31Å; K525-A528 VanDerWaalsContact O-N 3.16Å; E526-A528 VanDerWaalsContact C-N 3.28Å; E526-A528 PolarHBondContact O-N 3.15Å; A528-W532 WeakPolarHBondContact O-CB 2.94Å; A528-W532 PolarHBondContact O-N 2.9Å
529	V	88.6	Confident	88.8	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-66.5	-51.4	-179.5	-179.1	0	0	0	0	111.2	N527 W532 Q533 E571 A574	N527-V529 PolarHBondContact O-N 3.17Å; V529-W532 PolarHBondContact O-N 2.87Å; V529-Q533 VanDerWaalsContact O-CG 3.3Å; V529-Q533 WeakPolarHBondContact O-CG 3.23Å; V529-Q533 PolarHBondContact O-N 3.27Å; V529-E571 HydrophobicContact CG2-CG 4.17Å; V529-A574 HydrophobicContact CG2-CB 4.15Å
530	E	86.4	Confident	88.4	Confident	95 Å²	95	28 Å²	28	44%	0.444	16%	0.159	S	C	.	.	H	α-helix	trans	-64.6	-45.3	-179.2	-66.6	175	-163.2	0	0	111	K349 N527 W532 Q533 A534	K349-E530 IonicContact NZ-OE1 3.75Å; K349-E530 PolarHBondContact NZ-OE1 3.18Å; K349-E530 IonicContact NZ-OE2 2.9Å; N527-E530 HydrophobicContact CB-CB 4.48Å; N527-E530 PolarHBondContact O-N 2.9Å; N527-E530 VanDerWaalsContact O-N 3.14Å; E530-W532 VanDerWaalsContact C-N 3.33Å; E530-W532 PolarHBondContact O-N 3.45Å; E530-Q533 PolarHBondContact O-N 3.24Å; E530-A534 WeakPolarHBondContact O-CB 3.21Å; E530-A534 PolarHBondContact O-N 3.38Å
531	E	88.9	Confident	87.8	Confident	57 Å²	57	28.1 Å²	28.1	27%	0.266	16%	0.16	S	C	.	.	H	α-helix	trans	-61.8	-40.4	177.9	-75.8	-76.8	137.7	0	0	111.7	F478 K525 N527 A534 M535	F478-E531 HydrophobicContact CE1-CB 4.26Å; F478-E531 HydrophobicContact CE2-CB 4.25Å; F478-E531 HydrophobicContact CZ-CB 3.5Å; K525-E531 HydrophobicContact CD-CB 4.39Å; K525-E531 HydrophobicContact CD-CG 4.33Å; K525-E531 IonicContact NZ-OE2 2.95Å; K525-E531 PolarHBondContact NZ-OE2 2.88Å; N527-E531 HydrophobicContact CB-CG 4.28Å; N527-E531 WeakPolarHBondContact O-CB 3.44Å; N527-E531 WeakPolarHBondContact O-CG 3.28Å; N527-E531 PolarHBondContact O-N 3.33Å; E531-A534 PolarHBondContact O-N 3.48Å; E531-M535 WeakPolarHBondContact O-CB 3.27Å; E531-M535 PolarHBondContact O-N 2.95Å
532	W	93.2	Very high	87.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.8	-39.8	178.7	177.9	-123.5	0	0	0	110.8	T453 A455 I473 F478 L523 A528 V529 E530 M535 M536 L552 V565 H566	T453-W532 HydrophobicContact CG2-CB 3.93Å; T453-W532 HydrophobicContact CG2-CG 4.21Å; A455-W532 HydrophobicContact CB-CD2 4.09Å; A455-W532 HydrophobicContact CB-CH2 4.04Å; A455-W532 HydrophobicContact CB-CZ2 3.39Å; I473-W532 HydrophobicContact CD1-CH2 3.97Å; I473-W532 HydrophobicContact CD1-CZ3 3.89Å; I473-W532 HydrophobicContact CG1-CH2 4.25Å; I473-W532 HydrophobicContact CG1-CZ3 3.68Å; F478-W532 HydrophobicContact CE1-CB 4.26Å; F478-W532 HydrophobicContact CZ-CB 4.01Å; L523-W532 HydrophobicContact CD1-CD2 3.99Å; L523-W532 HydrophobicContact CD1-CE3 3.8Å; L523-W532 HydrophobicContact CD1-CG 4.48Å; L523-W532 HydrophobicContact CD1-CZ3 4.17Å; A528-W532 WeakPolarHBondContact O-CB 2.94Å; A528-W532 PolarHBondContact O-N 2.9Å; V529-W532 PolarHBondContact O-N 2.87Å; E530-W532 VanDerWaalsContact C-N 3.33Å; E530-W532 PolarHBondContact O-N 3.45Å; W532-M535 HydrophobicContact CE3-CB 4.28Å; W532-M535 HydrophobicContact CE3-CG 4.4Å; W532-M535 HydrophobicContact CE3-SD 3.8Å; W532-M535 HydrophobicContact CZ3-CE 4.44Å; W532-M535 HydrophobicContact CZ3-CG 4.3Å; W532-M535 HydrophobicContact CZ3-SD 3.6Å; W532-M535 PolarHBondContact O-N 2.82Å; W532-M536 HydrophobicContact CD2-CG 4.03Å; W532-M536 HydrophobicContact CG-CE 4.25Å; W532-M536 HydrophobicContact CG-CG 4.49Å; W532-M536 HydrophobicContact CH2-CG 4.29Å; W532-M536 HydrophobicContact CZ2-CG 3.74Å; W532-M536 HydrophobicContact CZ2-SD 3.98Å; W532-M536 PolarHBondContact NE1-SD 3.44Å; W532-M536 VanDerWaalsContact NE1-SD 3.36Å; W532-M536 VanDerWaalsContact O-CG 3.32Å; W532-M536 WeakPolarHBondContact O-CG 3.5Å; W532-M536 PolarHBondContact O-N 2.85Å; W532-L552 HydrophobicContact CH2-CD1 3.54Å; W532-L552 HydrophobicContact CZ3-CD1 3.68Å; W532-V565 HydrophobicContact CH2-CB 4.48Å; W532-V565 HydrophobicContact CH2-CG1 4.38Å; W532-V565 HydrophobicContact CZ2-CB 4.14Å; W532-V565 HydrophobicContact CZ2-CG1 4.46Å; W532-H566 PolarHBondContact NE1-O 2.82Å
533	Q	90.1	Very high	87.1	Confident	71 Å²	71	40.3 Å²	40.3	33%	0.332	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-44.2	174	-74	176.6	6.8	0	0	112.4	V529 E530 M535 M536 G537 S568 S569	V529-Q533 VanDerWaalsContact O-CG 3.3Å; V529-Q533 WeakPolarHBondContact O-CG 3.23Å; V529-Q533 PolarHBondContact O-N 3.27Å; E530-Q533 PolarHBondContact O-N 3.24Å; Q533-M535 VanDerWaalsContact C-N 3.3Å; Q533-M535 PolarHBondContact O-N 3.35Å; Q533-M536 HydrophobicContact CG-CE 4.16Å; Q533-M536 PolarHBondContact O-N 3.44Å; Q533-G537 PolarHBondContact O-N 3.42Å; Q533-S568 PolarHBondContact NE2-O 3.16Å; Q533-S569 PolarHBondContact NE2-O 3.38Å
534	A	88.2	Confident	86.8	Confident	65 Å²	65	40.3 Å²	40.3	54%	0.537	22%	0.215	S	C	.	.	H	α-helix	trans	-61.3	-40.4	175.7	0	0	0	0	0	111.5	E530 E531	E530-A534 WeakPolarHBondContact O-CB 3.21Å; E530-A534 PolarHBondContact O-N 3.38Å; E531-A534 PolarHBondContact O-N 3.48Å
535	M	90.4	Very high	86.6	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-66.7	-41.8	176.3	-173.7	179	-175.1	0	0	112.7	E472 I473 F478 E531 W532 Q533 S551 L552	E472-M535 VanDerWaalsContact C-CE 3.42Å; E472-M535 HydrophobicContact CB-CE 3.44Å; E472-M535 VanDerWaalsContact CB-CE 3.44Å; I473-M535 HydrophobicContact CG1-CE 4.08Å; I473-M535 HydrophobicContact CG1-SD 4.31Å; F478-M535 HydrophobicContact CE2-SD 4.27Å; E531-M535 WeakPolarHBondContact O-CB 3.27Å; E531-M535 PolarHBondContact O-N 2.95Å; W532-M535 HydrophobicContact CE3-CB 4.28Å; W532-M535 HydrophobicContact CE3-CG 4.4Å; W532-M535 HydrophobicContact CE3-SD 3.8Å; W532-M535 HydrophobicContact CZ3-CE 4.44Å; W532-M535 HydrophobicContact CZ3-CG 4.3Å; W532-M535 HydrophobicContact CZ3-SD 3.6Å; W532-M535 PolarHBondContact O-N 2.82Å; Q533-M535 VanDerWaalsContact C-N 3.3Å; Q533-M535 PolarHBondContact O-N 3.35Å; M535-S551 WeakPolarHBondContact O-CA 3.47Å; M535-S551 WeakPolarHBondContact O-CB 3.45Å; M535-L552 HydrophobicContact CE-CD1 4.01Å; M535-L552 HydrophobicContact CE-CD2 4.13Å; M535-L552 HydrophobicContact CE-CG 4.27Å; M535-L552 HydrophobicContact CG-CD1 4Å; M535-L552 HydrophobicContact CG-CG 4.09Å; M535-L552 PolarHBondContact O-N 2.93Å; M535-L552 HydrophobicContact SD-CD1 4.3Å
536	M	91.4	Very high	86.5	Confident	6 Å²	6	51 Å²	51	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-39.4	176.4	-72.7	-167.8	-69.7	0	0	112.3	W532 Q533 S551 R553 V565 G567	W532-M536 HydrophobicContact CD2-CG 4.03Å; W532-M536 HydrophobicContact CG-CE 4.25Å; W532-M536 HydrophobicContact CG-CG 4.49Å; W532-M536 HydrophobicContact CH2-CG 4.29Å; W532-M536 HydrophobicContact CZ2-CG 3.74Å; W532-M536 HydrophobicContact CZ2-SD 3.98Å; W532-M536 PolarHBondContact NE1-SD 3.44Å; W532-M536 VanDerWaalsContact NE1-SD 3.36Å; W532-M536 VanDerWaalsContact O-CG 3.32Å; W532-M536 WeakPolarHBondContact O-CG 3.5Å; W532-M536 PolarHBondContact O-N 2.85Å; Q533-M536 HydrophobicContact CG-CE 4.16Å; Q533-M536 PolarHBondContact O-N 3.44Å; M536-S551 WeakPolarHBondContact O-CB 3.23Å; M536-R553 WeakPolarHBondContact O-CB 3.28Å; M536-R553 WeakPolarHBondContact O-CD 3.41Å; M536-R553 WeakPolarHBondContact O-CG 3.31Å; M536-R553 PolarHBondContact O-N 3.48Å; M536-V565 HydrophobicContact CB-CG2 4.15Å; M536-V565 HydrophobicContact CG-CB 4.37Å; M536-V565 HydrophobicContact CG-CG2 3.63Å; M536-V565 HydrophobicContact SD-CB 4.4Å; M536-V565 HydrophobicContact SD-CG2 4.07Å; M536-G567 PolarHBondContact SD-N 2.76Å
537	G	87.3	Confident	86.6	Confident	11 Å²	11	53.2 Å²	53.2	11%	0.113	27%	0.272	C	S	.	.			trans	75.3	-178.8	-173.2	0	0	0	0	0	113.7	Q533 R553	Q533-G537 PolarHBondContact O-N 3.42Å; G537-R553 PolarHBondContact O-NH1 3.44Å
538	P	85.8	Confident	86.7	Confident	31 Å²	31	55 Å²	55	20%	0.201	28%	0.284	C	S	.	.			trans	-52.6	147.1	179.8	-25.2	32.6	0	0	0	113.3	D540 K543 A544 I547 R553	P538-D540 PolarHBondContact O-N 3.48Å; P538-K543 HydrophobicContact CB-CB 4.41Å; P538-K543 HydrophobicContact CB-CD 4.5Å; P538-K543 HydrophobicContact CB-CG 4.36Å; P538-K543 HydrophobicContact CG-CG 4.44Å; P538-A544 HydrophobicContact CB-CB 4.3Å; P538-A544 HydrophobicContact CG-CB 4.24Å; P538-I547 HydrophobicContact CG-CD1 3.45Å; P538-I547 VanDerWaalsContact CG-CD1 3.45Å; P538-I547 HydrophobicContact CG-CG1 3.79Å; P538-R553 WeakPolarHBondContact O-CD 3.45Å
539	S	81.7	Confident	86.6	Confident	74 Å²	74	58 Å²	58	52%	0.517	30%	0.304	S	S	.	.	S	Bend	trans	-64.4	-22.1	179.6	-54	0	0	0	0	113.9	R553	S539-R553 PolarHBondContact OG-NH1 3.14Å
540	D	82.6	Confident	86.5	Confident	56 Å²	56	67.3 Å²	67.3	30%	0.299	34%	0.339	S	S	.	.	S	Bend	trans	-91	116.7	172.7	-178	-18.7	0	0	0	109.6	P538 E542 K543 A544	P538-D540 PolarHBondContact O-N 3.48Å; D540-E542 VanDerWaalsContact C-N 3.32Å; D540-E542 PolarHBondContact O-N 2.67Å; D540-E542 PolarHBondContact OD1-N 3.17Å; D540-K543 HydrophobicContact CB-CB 4.01Å; D540-K543 PolarHBondContact O-N 3.41Å; D540-A544 WeakPolarHBondContact O-CB 3.39Å; D540-A544 PolarHBondContact O-N 3.05Å
541	P	81.7	Confident	86.7	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.019	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-33.9	-179.5	-25.8	36.6	0	0	0	114.5	A544 R545 A557 D559	P541-A544 PolarHBondContact O-N 2.75Å; P541-R545 VanDerWaalsContact O-CG 3.3Å; P541-R545 WeakPolarHBondContact O-CG 3.41Å; P541-R545 PolarHBondContact O-N 3.23Å; P541-A557 HydrophobicContact CB-CB 3.94Å; P541-A557 HydrophobicContact CG-CB 3.5Å; P541-A557 VanDerWaalsContact CG-CB 3.5Å; P541-D559 WeakPolarHBondContact CG-O 3.08Å
542	E	84.3	Confident	86.6	Confident	142 Å²	142	60.4 Å²	60.4	66%	0.664	31%	0.307	S	S	*	.	H	α-helix	trans	-68.2	-46.1	179.3	-69.2	-170.2	170	0	0	110.4	D540 A544 R545 E546	D540-E542 VanDerWaalsContact C-N 3.32Å; D540-E542 PolarHBondContact O-N 2.67Å; D540-E542 PolarHBondContact OD1-N 3.17Å; E542-A544 VanDerWaalsContact C-N 3.29Å; E542-A544 PolarHBondContact O-N 3.24Å; E542-R545 PolarHBondContact O-N 3.32Å; E542-E546 PolarHBondContact O-N 3.34Å; E542-E546 VanDerWaalsContact O-N 3.11Å
543	K	85.3	Confident	86.4	Confident	114 Å²	114	61.3 Å²	61.3	50%	0.496	31%	0.311	S	S	.	.	H	α-helix	trans	-61.2	-41.5	172.7	-169.7	172.4	-176.6	176.9	0	110.9	P538 D540 R545 E546 I547	P538-K543 HydrophobicContact CB-CB 4.41Å; P538-K543 HydrophobicContact CB-CD 4.5Å; P538-K543 HydrophobicContact CB-CG 4.36Å; P538-K543 HydrophobicContact CG-CG 4.44Å; D540-K543 HydrophobicContact CB-CB 4.01Å; D540-K543 PolarHBondContact O-N 3.41Å; K543-R545 VanDerWaalsContact C-N 3.33Å; K543-R545 PolarHBondContact O-N 3.09Å; K543-E546 PolarHBondContact O-N 3.35Å; K543-E546 VanDerWaalsContact O-N 3.14Å; K543-I547 HydrophobicContact CG-CD1 4.29Å; K543-I547 HydrophobicContact CG-CG1 4.19Å; K543-I547 WeakPolarHBondContact O-CG1 3.38Å; K543-I547 PolarHBondContact O-N 3.5Å
544	A	84.8	Confident	86.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-42.8	175.7	0	0	0	0	0	111.6	P538 D540 P541 E542 E546 S548 R553 A554	P538-A544 HydrophobicContact CB-CB 4.3Å; P538-A544 HydrophobicContact CG-CB 4.24Å; D540-A544 WeakPolarHBondContact O-CB 3.39Å; D540-A544 PolarHBondContact O-N 3.05Å; P541-A544 PolarHBondContact O-N 2.75Å; E542-A544 VanDerWaalsContact C-N 3.29Å; E542-A544 PolarHBondContact O-N 3.24Å; A544-E546 VanDerWaalsContact C-N 3.27Å; A544-E546 PolarHBondContact O-N 3.01Å; A544-S548 CarbonylContact O-C 2.84Å; A544-S548 VanDerWaalsContact O-CA 3.24Å; A544-S548 WeakPolarHBondContact O-CA 3.37Å; A544-S548 PolarHBondContact O-N 2.92Å; A544-R553 HydrophobicContact CB-CB 4.36Å; A544-A554 HydrophobicContact CB-CB 3.9Å
545	R	84.4	Confident	86	Confident	120 Å²	120	60.1 Å²	60.1	45%	0.453	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-32.2	175.5	-70.9	172.1	-159.6	146.4	5.7	112.9	P541 E542 K543 P549 A554 A557	P541-R545 VanDerWaalsContact O-CG 3.3Å; P541-R545 WeakPolarHBondContact O-CG 3.41Å; P541-R545 PolarHBondContact O-N 3.23Å; E542-R545 PolarHBondContact O-N 3.32Å; K543-R545 VanDerWaalsContact C-N 3.33Å; K543-R545 PolarHBondContact O-N 3.09Å; R545-P549 WeakPolarHBondContact O-CB 3.43Å; R545-A554 HydrophobicContact CG-CB 3.91Å; R545-A554 WeakPolarHBondContact CG-O 3.31Å; R545-A554 PolarHBondContact NE-O 3.32Å; R545-A557 PolarHBondContact NH2-O 2.92Å
546	E	86.2	Confident	85.5	Confident	159 Å²	159	61.7 Å²	61.7	74%	0.743	30%	0.297	S	S	*	.	H	α-helix	trans	-75.4	-53.3	178.2	-172.1	-177.3	-177.4	0	0	112.5	E542 K543 A544	E542-E546 PolarHBondContact O-N 3.34Å; E542-E546 VanDerWaalsContact O-N 3.11Å; K543-E546 PolarHBondContact O-N 3.35Å; K543-E546 VanDerWaalsContact O-N 3.14Å; A544-E546 VanDerWaalsContact C-N 3.27Å; A544-E546 PolarHBondContact O-N 3.01Å
547	I	85.4	Confident	84.9	Confident	99 Å²	99	61.7 Å²	61.7	51%	0.508	30%	0.298	S	S	.	.	H	α-helix	trans	-98.4	-16.9	-170.5	59.2	157	0	0	0	114.3	P538 K543	P538-I547 HydrophobicContact CG-CD1 3.45Å; P538-I547 VanDerWaalsContact CG-CD1 3.45Å; P538-I547 HydrophobicContact CG-CG1 3.79Å; K543-I547 HydrophobicContact CG-CD1 4.29Å; K543-I547 HydrophobicContact CG-CG1 4.19Å; K543-I547 WeakPolarHBondContact O-CG1 3.38Å; K543-I547 PolarHBondContact O-N 3.5Å
548	S	86.2	Confident	84.1	Confident	43 Å²	43	64.8 Å²	64.8	30%	0.301	32%	0.323	S	S	.	.			trans	-150.5	62.6	-178	-59.5	0	0	0	0	110.7	A544 W550 S551 A554	A544-S548 CarbonylContact O-C 2.84Å; A544-S548 VanDerWaalsContact O-CA 3.24Å; A544-S548 WeakPolarHBondContact O-CA 3.37Å; A544-S548 PolarHBondContact O-N 2.92Å; S548-W550 PolarHBondContact O-N 3.04Å; S548-S551 VanDerWaalsContact O-CB 3.25Å; S548-S551 WeakPolarHBondContact O-CB 3.46Å; S548-S551 PolarHBondContact O-N 3.29Å; S548-S551 PolarHBondContact O-OG 3.03Å; S548-A554 WeakPolarHBondContact O-CB 3.09Å
549	P	85.6	Confident	83.5	Confident	65 Å²	65	66.5 Å²	66.5	42%	0.422	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.2	-169.5	20.5	-33	0	0	0	114.4	R545 A554	R545-P549 WeakPolarHBondContact O-CB 3.43Å; P549-A554 WeakPolarHBondContact O-CB 3.25Å
550	W	86.8	Confident	82.8	Confident	200 Å²	200	67.9 Å²	67.9	76%	0.758	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.5	179.5	-57.1	108.4	0	0	0	114.2	S548	S548-W550 PolarHBondContact O-N 3.04Å
551	S	90.5	Very high	81.9	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.042	33%	0.329	C	S	.	.	S	Bend	trans	-68.7	156	178.4	65.1	0	0	0	0	112.2	M535 M536 S548 R553 A554 R555	M535-S551 WeakPolarHBondContact O-CA 3.47Å; M535-S551 WeakPolarHBondContact O-CB 3.45Å; M536-S551 WeakPolarHBondContact O-CB 3.23Å; S548-S551 VanDerWaalsContact O-CB 3.25Å; S548-S551 WeakPolarHBondContact O-CB 3.46Å; S548-S551 PolarHBondContact O-N 3.29Å; S548-S551 PolarHBondContact O-OG 3.03Å; S551-R553 VanDerWaalsContact C-N 3.28Å; S551-R553 PolarHBondContact O-N 2.78Å; S551-A554 PolarHBondContact O-N 3.27Å; S551-A554 VanDerWaalsContact O-N 3.14Å; S551-A554 VanDerWaalsContact OG-CB 3.31Å; S551-A554 WeakPolarHBondContact OG-CB 3.24Å; S551-A554 PolarHBondContact OG-N 3.14Å; S551-R555 PolarHBondContact O-N 3.32Å; S551-R555 VanDerWaalsContact O-N 3.14Å
552	L	87.8	Confident	81.2	Confident	1 Å²	1	70 Å²	70	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-40.5	-179	-62.9	177.5	0	0	0	111.5	I469 E472 W532 M535 R555 F556 V565	I469-L552 HydrophobicContact CG1-CD2 4.4Å; I469-L552 HydrophobicContact CG2-CD1 4.28Å; E472-L552 WeakPolarHBondContact OE2-CD2 3.24Å; W532-L552 HydrophobicContact CH2-CD1 3.54Å; W532-L552 HydrophobicContact CZ3-CD1 3.68Å; M535-L552 HydrophobicContact CE-CD1 4.01Å; M535-L552 HydrophobicContact CE-CD2 4.13Å; M535-L552 HydrophobicContact CE-CG 4.27Å; M535-L552 HydrophobicContact CG-CD1 4Å; M535-L552 HydrophobicContact CG-CG 4.09Å; M535-L552 PolarHBondContact O-N 2.93Å; M535-L552 HydrophobicContact SD-CD1 4.3Å; L552-R555 PolarHBondContact O-N 2.9Å; L552-F556 HydrophobicContact CB-CD2 4.33Å; L552-F556 HydrophobicContact CD2-CD2 4Å; L552-F556 HydrophobicContact CD2-CE2 3.72Å; L552-F556 WeakPolarHBondContact O-CB 3.33Å; L552-F556 WeakPolarHBondContact O-CD2 3.21Å; L552-F556 PolarHBondContact O-N 3.39Å; L552-V565 HydrophobicContact CB-CG2 3.85Å; L552-V565 HydrophobicContact CD1-CG1 4.18Å; L552-V565 HydrophobicContact CD1-CG2 4.16Å
553	R	87.8	Confident	80.7	Confident	19 Å²	19	64.1 Å²	64.1	7%	0.072	31%	0.313	C	S	.	.	H	α-helix	trans	-71.3	-32.7	177.8	-67.6	172.8	178.7	162.9	-6.6	112.7	M536 G537 P538 S539 A544 S551 R555 A557 V565	M536-R553 WeakPolarHBondContact O-CB 3.28Å; M536-R553 WeakPolarHBondContact O-CD 3.41Å; M536-R553 WeakPolarHBondContact O-CG 3.31Å; M536-R553 PolarHBondContact O-N 3.48Å; G537-R553 PolarHBondContact O-NH1 3.44Å; P538-R553 WeakPolarHBondContact O-CD 3.45Å; S539-R553 PolarHBondContact OG-NH1 3.14Å; A544-R553 HydrophobicContact CB-CB 4.36Å; S551-R553 VanDerWaalsContact C-N 3.28Å; S551-R553 PolarHBondContact O-N 2.78Å; R553-R555 VanDerWaalsContact C-N 3.32Å; R553-R555 PolarHBondContact O-N 2.99Å; R553-A557 HydrophobicContact CB-CB 4.39Å; R553-A557 WeakPolarHBondContact O-CB 3.44Å; R553-A557 PolarHBondContact O-N 3.39Å; R553-V565 HydrophobicContact CG-CG2 4.09Å; R553-V565 PolarHBondContact NE-O 3.41Å; R553-V565 PolarHBondContact NH2-O 2.94Å; R553-V565 VanDerWaalsContact NH2-O 3.12Å
554	A	85.4	Confident	80.4	Confident	6 Å²	6	58.9 Å²	58.9	5%	0.05	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-40.1	175.5	0	0	0	0	0	112	A544 R545 S548 P549 S551	A544-A554 HydrophobicContact CB-CB 3.9Å; R545-A554 HydrophobicContact CG-CB 3.91Å; R545-A554 WeakPolarHBondContact CG-O 3.31Å; R545-A554 PolarHBondContact NE-O 3.32Å; S548-A554 WeakPolarHBondContact O-CB 3.09Å; P549-A554 WeakPolarHBondContact O-CB 3.25Å; S551-A554 PolarHBondContact O-N 3.27Å; S551-A554 VanDerWaalsContact O-N 3.14Å; S551-A554 VanDerWaalsContact OG-CB 3.31Å; S551-A554 WeakPolarHBondContact OG-CB 3.24Å; S551-A554 PolarHBondContact OG-N 3.14Å
555	R	84.1	Confident	80.5	Confident	105 Å²	105	58.9 Å²	58.9	40%	0.396	29%	0.291	S	S	.	.	H	α-helix	trans	-87.7	-37.9	-171.5	-71.3	170.9	57.3	-153	-5.7	114.1	E472 S551 L552 R553	E472-R555 IonicContact OE1-CZ 2.77Å; E472-R555 IonicContact OE1-NH1 3.78Å; E472-R555 PolarHBondContact OE1-NH1 3.36Å; E472-R555 IonicContact OE1-NH2 3.38Å; E472-R555 PolarHBondContact OE1-NH2 2.74Å; E472-R555 IonicContact OE2-NH1 3.99Å; E472-R555 PolarHBondContact OE2-NH1 2.82Å; S551-R555 PolarHBondContact O-N 3.32Å; S551-R555 VanDerWaalsContact O-N 3.14Å; L552-R555 PolarHBondContact O-N 2.9Å; R553-R555 VanDerWaalsContact C-N 3.32Å; R553-R555 PolarHBondContact O-N 2.99Å
556	F	81.6	Confident	80.7	Confident	36 Å²	36	54.1 Å²	54.1	16%	0.158	27%	0.274	C	S	.	.	H	α-helix	trans	-114.8	-11.8	-168.8	-56.3	-60.6	0	0	0	113.9	H465 T468 I469 L552 S564	H465-F556 HydrophobicContact CB-CD1 4.24Å; H465-F556 AromaticContact CD2-CD1 3.45Å; H465-F556 VanDerWaalsContact CD2-CD1 3.45Å; H465-F556 WeakPolarHBondContact CD2-CD1 3.48Å; H465-F556 AromaticContact CD2-CG 3.94Å; H465-F556 AromaticContact CG-CD1 3.68Å; H465-F556 AromaticContact NE2-CD1 3.72Å; T468-F556 HydrophobicContact CG2-CE1 4.49Å; T468-F556 HydrophobicContact CG2-CZ 3.88Å; I469-F556 HydrophobicContact CG1-CD2 4.26Å; I469-F556 HydrophobicContact CG1-CE2 4.22Å; L552-F556 HydrophobicContact CB-CD2 4.33Å; L552-F556 HydrophobicContact CD2-CD2 4Å; L552-F556 HydrophobicContact CD2-CE2 3.72Å; L552-F556 WeakPolarHBondContact O-CB 3.33Å; L552-F556 WeakPolarHBondContact O-CD2 3.21Å; L552-F556 PolarHBondContact O-N 3.39Å; F556-S564 VanDerWaalsContact CB-OG 3.24Å; F556-S564 WeakPolarHBondContact CB-OG 3.33Å; F556-S564 PolarHBondContact O-OG 3.24Å
557	A	78.1	Confident	80.8	Confident	5 Å²	5	47 Å²	47	4%	0.041	24%	0.243	C	C	.	.			trans	-85.9	134.7	-177.9	0	0	0	0	0	111.3	P541 R545 R553 N563 S564	P541-A557 HydrophobicContact CB-CB 3.94Å; P541-A557 HydrophobicContact CG-CB 3.5Å; P541-A557 VanDerWaalsContact CG-CB 3.5Å; R545-A557 PolarHBondContact NH2-O 2.92Å; R553-A557 HydrophobicContact CB-CB 4.39Å; R553-A557 WeakPolarHBondContact O-CB 3.44Å; R553-A557 PolarHBondContact O-N 3.39Å; A557-N563 HydrophobicContact CB-CB 4.35Å; A557-S564 VanDerWaalsContact CA-OG 3.28Å; A557-S564 WeakPolarHBondContact CA-OG 3.43Å; A557-S564 PolarHBondContact N-OG 3.07Å
558	A	71	Confident	80.9	Confident	77 Å²	77	42.4 Å²	42.4	64%	0.636	22%	0.22	S	C	*	.			trans	-78.6	-47.9	176.3	0	0	0	0	0	111.3	H562	A558-H562 HydrophobicContact CB-CB 4.18Å; A558-H562 PolarHBondContact N-O 3.31Å
559	D	71.8	Confident	80.8	Confident	67 Å²	67	43.6 Å²	43.6	36%	0.358	23%	0.228	S	C	.	.	S	Bend	trans	-154.1	-176.6	179	66.8	47.7	0	0	0	112	P541 L561 H562 N563	P541-D559 WeakPolarHBondContact CG-O 3.08Å; D559-L561 VanDerWaalsContact C-N 3.27Å; D559-L561 PolarHBondContact O-N 3.21Å; D559-L561 WeakPolarHBondContact OD1-CA 3.19Å; D559-L561 WeakPolarHBondContact OD1-CB 3.22Å; D559-L561 PolarHBondContact OD1-N 3.02Å; D559-H562 VanDerWaalsContact CG-ND1 3.32Å; D559-H562 CarbonylContact O-C 3.3Å; D559-H562 VanDerWaalsContact O-C 3.3Å; D559-H562 PolarHBondContact O-N 3.26Å; D559-H562 IonicContact OD1-CG 3.81Å; D559-H562 PolarHBondContact OD1-N 2.91Å; D559-H562 IonicContact OD1-ND1 3.73Å; D559-H562 PolarHBondContact OD1-ND1 3.32Å; D559-H562 IonicContact OD2-CE1 3.69Å; D559-H562 IonicContact OD2-CG 2.78Å; D559-H562 IonicContact OD2-ND1 2.69Å; D559-H562 PolarHBondContact OD2-ND1 3.4Å; D559-N563 PolarHBondContact O-N 2.64Å
560	I	67.8	Low	80.8	Confident	102 Å²	102	44.2 Å²	44.2	52%	0.523	23%	0.228	S	C	.	.	S	Bend	trans	-60.6	-33.4	-177.1	-62.6	172.4	0	0	0	112.5	N563	I560-N563 PolarHBondContact O-ND2 2.84Å
561	L	64.5	Low	80.8	Confident	52 Å²	52	39.7 Å²	39.7	27%	0.272	22%	0.215	S	C	.	.	S	Bend	trans	-84.5	-41.8	-179.7	-72	158.8	0	0	0	111	F505 Q508 D559 N563	F505-L561 HydrophobicContact CB-CD2 3.86Å; Q508-L561 HydrophobicContact CB-CD2 3.97Å; Q508-L561 VanDerWaalsContact OE1-CD1 3.23Å; D559-L561 VanDerWaalsContact C-N 3.27Å; D559-L561 PolarHBondContact O-N 3.21Å; D559-L561 WeakPolarHBondContact OD1-CA 3.19Å; D559-L561 WeakPolarHBondContact OD1-CB 3.22Å; D559-L561 PolarHBondContact OD1-N 3.02Å; L561-N563 VanDerWaalsContact C-N 3.27Å; L561-N563 PolarHBondContact O-N 3.39Å
562	H	67.1	Low	80.6	Confident	51 Å²	51	46 Å²	46	24%	0.236	24%	0.244	C	C	.	.	S	Bend	trans	-92.1	53.1	177.4	-55.1	89.1	0	0	0	110.8	D460 F512 A558 D559	D460-H562 IonicContact OD2-CD2 3.88Å; D460-H562 PolarHBondContact OD2-CD2 3.01Å; F512-H562 AromaticContact CD2-CD2 3.73Å; F512-H562 AromaticContact CE2-CD2 3.33Å; F512-H562 WeakPolarHBondContact CE2-CD2 3.34Å; F512-H562 AromaticContact CZ-CD2 3.9Å; A558-H562 HydrophobicContact CB-CB 4.18Å; A558-H562 PolarHBondContact N-O 3.31Å; D559-H562 VanDerWaalsContact CG-ND1 3.32Å; D559-H562 CarbonylContact O-C 3.3Å; D559-H562 VanDerWaalsContact O-C 3.3Å; D559-H562 PolarHBondContact O-N 3.26Å; D559-H562 IonicContact OD1-CG 3.81Å; D559-H562 PolarHBondContact OD1-N 2.91Å; D559-H562 IonicContact OD1-ND1 3.73Å; D559-H562 PolarHBondContact OD1-ND1 3.32Å; D559-H562 IonicContact OD2-CE1 3.69Å; D559-H562 IonicContact OD2-CG 2.78Å; D559-H562 IonicContact OD2-ND1 2.69Å; D559-H562 PolarHBondContact OD2-ND1 3.4Å
563	N	71.8	Confident	80.6	Confident	19 Å²	19	46.4 Å²	46.4	10%	0.102	25%	0.246	C	C	.	.			trans	-78.6	138.1	171.8	65.7	37.2	0	0	0	110.5	K458 A557 D559 I560 L561 V565	K458-N563 WeakPolarHBondContact CD-O 3.5Å; K458-N563 WeakPolarHBondContact CE-OD1 3.25Å; K458-N563 PolarHBondContact NZ-OD1 3.45Å; A557-N563 HydrophobicContact CB-CB 4.35Å; D559-N563 PolarHBondContact O-N 2.64Å; I560-N563 PolarHBondContact O-ND2 2.84Å; L561-N563 VanDerWaalsContact C-N 3.27Å; L561-N563 PolarHBondContact O-N 3.39Å; N563-V565 VanDerWaalsContact C-N 3.31Å; N563-V565 PolarHBondContact O-N 2.91Å
564	S	79.3	Confident	80.6	Confident	5 Å²	5	45.6 Å²	45.6	4%	0.035	24%	0.243	C	C	.	.	S	Bend	trans	-71.5	-27.4	-167.4	-41.6	0	0	0	0	113.8	K458 A461 F556 A557	K458-S564 PolarHBondContact N-O 3.39Å; A461-S564 WeakPolarHBondContact CB-O 3.48Å; F556-S564 VanDerWaalsContact CB-OG 3.24Å; F556-S564 WeakPolarHBondContact CB-OG 3.33Å; F556-S564 PolarHBondContact O-OG 3.24Å; A557-S564 VanDerWaalsContact CA-OG 3.28Å; A557-S564 WeakPolarHBondContact CA-OG 3.43Å; A557-S564 PolarHBondContact N-OG 3.07Å
565	V	87.4	Confident	80.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.6	-169.5	-66.8	0	0	0	0	113.1	V456 I469 W532 M536 L552 R553 N563	V456-V565 CarbonylContact O-C 3.52Å; V456-V565 WeakPolarHBondContact O-CA 3.4Å; I469-V565 HydrophobicContact CD1-CG1 4.24Å; I469-V565 HydrophobicContact CG2-CG1 4.47Å; W532-V565 HydrophobicContact CH2-CB 4.48Å; W532-V565 HydrophobicContact CH2-CG1 4.38Å; W532-V565 HydrophobicContact CZ2-CB 4.14Å; W532-V565 HydrophobicContact CZ2-CG1 4.46Å; M536-V565 HydrophobicContact CB-CG2 4.15Å; M536-V565 HydrophobicContact CG-CB 4.37Å; M536-V565 HydrophobicContact CG-CG2 3.63Å; M536-V565 HydrophobicContact SD-CB 4.4Å; M536-V565 HydrophobicContact SD-CG2 4.07Å; L552-V565 HydrophobicContact CB-CG2 3.85Å; L552-V565 HydrophobicContact CD1-CG1 4.18Å; L552-V565 HydrophobicContact CD1-CG2 4.16Å; R553-V565 HydrophobicContact CG-CG2 4.09Å; R553-V565 PolarHBondContact NE-O 3.41Å; R553-V565 PolarHBondContact NH2-O 2.94Å; R553-V565 VanDerWaalsContact NH2-O 3.12Å; N563-V565 VanDerWaalsContact C-N 3.31Å; N563-V565 PolarHBondContact O-N 2.91Å
566	H	89	Confident	81	Confident	20 Å²	20	49.8 Å²	49.8	9%	0.093	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.2	174.5	176.9	89.1	0	0	0	111.1	V456 Y497 W532 K577	V456-H566 HydrophobicContact CB-CB 4.02Å; V456-H566 HydrophobicContact CG2-CB 4.31Å; V456-H566 PolarHBondContact N-O 3.34Å; V456-H566 PolarHBondContact O-N 3.26Å; Y497-H566 AromaticContact CE1-CE1 3.85Å; Y497-H566 AromaticContact CE1-ND1 3.75Å; W532-H566 PolarHBondContact NE1-O 2.82Å; H566-K577 PolarHBondContact NE2-NZ 3.44Å
567	G	88.1	Confident	81.3	Confident	10 Å²	10	48.6 Å²	48.6	10%	0.103	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	169.7	174.8	0	0	0	0	0	112.8	L454 M536	L454-G567 VanDerWaalsContact O-CA 3.24Å; L454-G567 WeakPolarHBondContact O-CA 3.41Å; M536-G567 PolarHBondContact SD-N 2.76Å
568	S	87.5	Confident	81.9	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.007	26%	0.259	C	S	.	.			trans	-74.5	149.7	-179.8	-64.4	0	0	0	0	112.6	Q533 H573 A574	Q533-S568 PolarHBondContact NE2-O 3.16Å; S568-H573 PolarHBondContact OG-O 3.06Å; S568-A574 VanDerWaalsContact OG-CA 3.28Å; S568-A574 WeakPolarHBondContact OG-CA 3Å
569	S	83.6	Confident	82.7	Confident	68 Å²	68	52.2 Å²	52.2	48%	0.476	26%	0.257	S	S	.	.	S	Bend	trans	-83.7	-26.9	-176.6	56.3	0	0	0	0	113.6	Q533 H573	Q533-S569 PolarHBondContact NE2-O 3.38Å; S569-H573 PolarHBondContact N-ND1 3.4Å; S569-H573 PolarHBondContact OG-ND1 3.31Å
570	N	86.3	Confident	83.4	Confident	78 Å²	78	53.4 Å²	53.4	42%	0.417	26%	0.259	S	S	.	.	S	Bend	trans	-155.6	175.6	177.5	58.9	51.1	0	0	0	109.5	Q572 H573 A574	N570-Q572 PolarHBondContact OD1-N 3.01Å; N570-H573 PolarHBondContact O-N 3.42Å; N570-H573 WeakPolarHBondContact OD1-CB 3.23Å; N570-H573 PolarHBondContact OD1-N 3.27Å; N570-A574 PolarHBondContact O-N 2.96Å
571	E	85.6	Confident	84.2	Confident	106 Å²	106	49.3 Å²	49.3	50%	0.495	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-44.7	-178.2	-69.2	170	-137.3	0	0	113.2	Q451 V529 H573 A574 E575	Q451-E571 PolarHBondContact NE2-OE1 2.83Å; V529-E571 HydrophobicContact CG2-CG 4.17Å; E571-H573 VanDerWaalsContact C-N 3.29Å; E571-H573 PolarHBondContact O-N 3.07Å; E571-A574 WeakPolarHBondContact O-CA 3.36Å; E571-A574 WeakPolarHBondContact O-CB 3.26Å; E571-A574 PolarHBondContact O-N 3.36Å; E571-A574 VanDerWaalsContact O-N 3.09Å; E571-E575 PolarHBondContact O-N 3.43Å
572	Q	86.4	Confident	85.1	Confident	137 Å²	137	48.3 Å²	48.3	64%	0.64	23%	0.232	S	C	*	.	H	α-helix	trans	-59.5	-44.1	178	-176.4	-175.8	-16.2	0	0	111	N570 A574 E575 E576	N570-Q572 PolarHBondContact OD1-N 3.01Å; Q572-A574 VanDerWaalsContact C-N 3.32Å; Q572-A574 PolarHBondContact O-N 3.11Å; Q572-E575 PolarHBondContact O-N 2.9Å; Q572-E576 WeakPolarHBondContact CG-OE1 3.4Å; Q572-E576 PolarHBondContact NE2-OE1 3.43Å; Q572-E576 WeakPolarHBondContact O-CG 3.46Å; Q572-E576 PolarHBondContact O-N 2.8Å
573	H	87.8	Confident	85.7	Confident	11 Å²	11	47.5 Å²	47.5	5%	0.051	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-30.3	177.6	-174.6	-167.3	0	0	0	112.3	E499 S568 S569 N570 E571 K577	E499-H573 IonicContact OE1-CD2 2.62Å; E499-H573 IonicContact OE1-CE1 3.91Å; E499-H573 PolarHBondContact OE1-CE1 3.19Å; E499-H573 IonicContact OE1-ND1 3.41Å; E499-H573 IonicContact OE1-NE2 3.8Å; E499-H573 PolarHBondContact OE1-NE2 2.88Å; E499-H573 IonicContact OE2-CE1 3.85Å; E499-H573 PolarHBondContact OE2-CE1 3.33Å; E499-H573 IonicContact OE2-ND1 2.9Å; E499-H573 IonicContact OE2-NE2 3.82Å; E499-H573 PolarHBondContact OE2-NE2 2.81Å; S568-H573 PolarHBondContact OG-O 3.06Å; S569-H573 PolarHBondContact N-ND1 3.4Å; S569-H573 PolarHBondContact OG-ND1 3.31Å; N570-H573 PolarHBondContact O-N 3.42Å; N570-H573 WeakPolarHBondContact OD1-CB 3.23Å; N570-H573 PolarHBondContact OD1-N 3.27Å; E571-H573 VanDerWaalsContact C-N 3.29Å; E571-H573 PolarHBondContact O-N 3.07Å; H573-K577 PolarHBondContact CE1-NZ 3.33Å; H573-K577 VanDerWaalsContact CE1-NZ 3.27Å; H573-K577 WeakPolarHBondContact NE2-CD 3.3Å; H573-K577 WeakPolarHBondContact NE2-CE 3.4Å; H573-K577 PolarHBondContact NE2-NZ 3.37Å; H573-K577 VanDerWaalsContact O-CB 3.32Å; H573-K577 WeakPolarHBondContact O-CB 3.19Å; H573-K577 WeakPolarHBondContact O-CG 3.39Å; H573-K577 PolarHBondContact O-N 3.04Å; H573-K577 VanDerWaalsContact O-N 3.15Å
574	A	89.2	Confident	85	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-52.7	169.3	0	0	0	0	0	110.9	R452 V529 S568 N570 E571 Q572 E576 K577 I578	R452-A574 WeakPolarHBondContact O-CB 3.48Å; V529-A574 HydrophobicContact CG2-CB 4.15Å; S568-A574 VanDerWaalsContact OG-CA 3.28Å; S568-A574 WeakPolarHBondContact OG-CA 3Å; N570-A574 PolarHBondContact O-N 2.96Å; E571-A574 WeakPolarHBondContact O-CA 3.36Å; E571-A574 WeakPolarHBondContact O-CB 3.26Å; E571-A574 PolarHBondContact O-N 3.36Å; E571-A574 VanDerWaalsContact O-N 3.09Å; Q572-A574 VanDerWaalsContact C-N 3.32Å; Q572-A574 PolarHBondContact O-N 3.11Å; A574-E576 PolarHBondContact O-N 3.14Å; A574-K577 PolarHBondContact O-N 3.18Å; A574-I578 HydrophobicContact CB-CD1 4.44Å; A574-I578 VanDerWaalsContact O-CB 3.27Å; A574-I578 WeakPolarHBondContact O-CB 3.39Å; A574-I578 WeakPolarHBondContact O-CD1 3.4Å; A574-I578 WeakPolarHBondContact O-CG1 3.46Å; A574-I578 PolarHBondContact O-N 2.94Å
575	E	88.6	Confident	83.5	Confident	102 Å²	102	55.3 Å²	55.3	48%	0.477	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-46.6	-178.5	-166.9	59	-147.5	0	0	112	E571 Q572 K577 I578 R579	E571-E575 PolarHBondContact O-N 3.43Å; Q572-E575 PolarHBondContact O-N 2.9Å; E575-K577 VanDerWaalsContact C-N 3.35Å; E575-K577 PolarHBondContact O-N 3.04Å; E575-I578 PolarHBondContact O-N 3.34Å; E575-R579 WeakPolarHBondContact O-CB 3.14Å; E575-R579 PolarHBondContact O-N 3.22Å
576	E	87.6	Confident	80.9	Confident	98 Å²	98	59.7 Å²	59.7	46%	0.458	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-44.6	177.5	-73.7	175.9	-166.4	0	0	112.2	Q572 A574 F580	Q572-E576 WeakPolarHBondContact CG-OE1 3.4Å; Q572-E576 PolarHBondContact NE2-OE1 3.43Å; Q572-E576 WeakPolarHBondContact O-CG 3.46Å; Q572-E576 PolarHBondContact O-N 2.8Å; A574-E576 PolarHBondContact O-N 3.14Å; E576-F580 WeakPolarHBondContact O-CB 3.4Å; E576-F580 PolarHBondContact O-N 3.23Å
577	K	88.9	Confident	78.2	Confident	11 Å²	11	63.2 Å²	63.2	5%	0.048	34%	0.342	C	S	.	.	H	α-helix	trans	-72.9	-38.3	179.9	-78.8	-171	157.5	159.6	0	113	L454 F496 E499 H566 H573 A574 E575 F580 V581	L454-K577 HydrophobicContact CB-CB 4.45Å; L454-K577 HydrophobicContact CD2-CB 3.72Å; L454-K577 HydrophobicContact CD2-CD 4.36Å; F496-K577 HydrophobicContact CE2-CB 4.41Å; F496-K577 HydrophobicContact CE2-CD 4.09Å; F496-K577 HydrophobicContact CE2-CG 4.28Å; F496-K577 HydrophobicContact CZ-CD 3.97Å; F496-K577 VanDerWaalsContact O-CE 3.28Å; F496-K577 WeakPolarHBondContact O-CE 3.35Å; F496-K577 PolarHBondContact O-NZ 3.4Å; E499-K577 IonicContact OE2-NZ 3.61Å; H566-K577 PolarHBondContact NE2-NZ 3.44Å; H573-K577 PolarHBondContact CE1-NZ 3.33Å; H573-K577 VanDerWaalsContact CE1-NZ 3.27Å; H573-K577 WeakPolarHBondContact NE2-CD 3.3Å; H573-K577 WeakPolarHBondContact NE2-CE 3.4Å; H573-K577 PolarHBondContact NE2-NZ 3.37Å; H573-K577 VanDerWaalsContact O-CB 3.32Å; H573-K577 WeakPolarHBondContact O-CB 3.19Å; H573-K577 WeakPolarHBondContact O-CG 3.39Å; H573-K577 PolarHBondContact O-N 3.04Å; H573-K577 VanDerWaalsContact O-N 3.15Å; A574-K577 PolarHBondContact O-N 3.18Å; E575-K577 VanDerWaalsContact C-N 3.35Å; E575-K577 PolarHBondContact O-N 3.04Å; K577-F580 PolarHBondContact O-N 2.81Å; K577-V581 WeakPolarHBondContact O-CG2 3.43Å; K577-V581 PolarHBondContact O-N 2.69Å
578	I	90.1	Very high	75.5	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-50.8	174.5	-74.4	169.2	0	0	0	109.1	R452 L454 I522 A574 E575 F580 V581 F582 I585	R452-I578 HydrophobicContact CB-CD1 3.92Å; L454-I578 HydrophobicContact CB-CG1 4.04Å; L454-I578 HydrophobicContact CD1-CG1 4.44Å; I522-I578 HydrophobicContact CD1-CG2 3.75Å; I522-I578 HydrophobicContact CG1-CG1 4.46Å; I522-I578 HydrophobicContact CG1-CG2 4.3Å; I522-I578 HydrophobicContact CG2-CD1 4.15Å; A574-I578 HydrophobicContact CB-CD1 4.44Å; A574-I578 VanDerWaalsContact O-CB 3.27Å; A574-I578 WeakPolarHBondContact O-CB 3.39Å; A574-I578 WeakPolarHBondContact O-CD1 3.4Å; A574-I578 WeakPolarHBondContact O-CG1 3.46Å; A574-I578 PolarHBondContact O-N 2.94Å; E575-I578 PolarHBondContact O-N 3.34Å; I578-F580 VanDerWaalsContact C-N 3.3Å; I578-F580 PolarHBondContact O-N 2.85Å; I578-V581 PolarHBondContact O-N 3.15Å; I578-F582 WeakPolarHBondContact O-CB 3.46Å; I578-F582 PolarHBondContact O-N 2.96Å; I578-I585 HydrophobicContact CG2-CD1 3.09Å; I578-I585 HydrophobicContact CG2-CG1 4.35Å
579	R	88.8	Confident	72.8	Confident	158 Å²	158	72.6 Å²	72.6	60%	0.596	40%	0.398	S	S	*	.	H	α-helix	trans	-61.2	-38.5	178.3	-162	179.7	85.1	178.3	5.9	112.4	E575 G583 D584	E575-R579 WeakPolarHBondContact O-CB 3.14Å; E575-R579 PolarHBondContact O-N 3.22Å; R579-G583 WeakPolarHBondContact CA-O 3.31Å; R579-G583 WeakPolarHBondContact O-CA 3.35Å; R579-G583 PolarHBondContact O-N 3.32Å; R579-D584 WeakPolarHBondContact CD-OD1 3.23Å
580	F	86.3	Confident	70.1	Confident	92 Å²	92	73.1 Å²	73.1	40%	0.404	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-40.4	176.3	178.4	-98.2	0	0	0	112.9	E495 F496 E576 K577 I578	E495-F580 HydrophobicContact CB-CE2 4.2Å; E495-F580 HydrophobicContact CB-CZ 3.95Å; E495-F580 HydrophobicContact CG-CD2 4.44Å; E495-F580 HydrophobicContact CG-CE2 3.56Å; E495-F580 HydrophobicContact CG-CZ 3.83Å; F496-F580 HydrophobicContact CB-CE1 4.1Å; F496-F580 AromaticContact CD2-CD1 3.96Å; F496-F580 HydrophobicContact CD2-CD1 3.96Å; F496-F580 HydrophobicContact CD2-CE1 4.11Å; E576-F580 WeakPolarHBondContact O-CB 3.4Å; E576-F580 PolarHBondContact O-N 3.23Å; K577-F580 PolarHBondContact O-N 2.81Å; I578-F580 VanDerWaalsContact C-N 3.3Å; I578-F580 PolarHBondContact O-N 2.85Å
581	V	85.1	Confident	67.5	Low	15 Å²	15	74.3 Å²	74.3	9%	0.091	42%	0.418	C	S	.	.	H	α-helix	trans	-86.5	-36.3	-174.8	176.4	0	0	0	0	113	L454 K484 F496 M520 K577 I578	L454-V581 HydrophobicContact CD2-CG2 4.35Å; K484-V581 HydrophobicContact CD-CG1 4.38Å; K484-V581 PolarHBondContact NZ-O 3.36Å; F496-V581 HydrophobicContact CD2-CG2 4.06Å; F496-V581 HydrophobicContact CE2-CG2 3.75Å; M520-V581 HydrophobicContact CB-CG1 3.9Å; M520-V581 HydrophobicContact CG-CG1 3.86Å; M520-V581 HydrophobicContact SD-CG1 4.48Å; M520-V581 HydrophobicContact SD-CG2 4.38Å; K577-V581 WeakPolarHBondContact O-CG2 3.43Å; K577-V581 PolarHBondContact O-N 2.69Å; I578-V581 PolarHBondContact O-N 3.15Å
582	F	83.6	Confident	64.9	Low	32 Å²	32	76 Å²	76	14%	0.14	44%	0.436	C	S	.	.	H	α-helix	trans	-113.2	-9.1	-170.3	-65.4	-86	0	0	0	114.3	L454 Q482 K484 M520 I522 I578 I585	L454-F582 HydrophobicContact CD1-CE2 3.8Å; Q482-F582 HydrophobicContact CB-CE1 4.21Å; Q482-F582 HydrophobicContact CG-CD1 3.96Å; Q482-F582 HydrophobicContact CG-CE1 3.79Å; K484-F582 HydrophobicContact CB-CD1 4.43Å; K484-F582 HydrophobicContact CB-CE1 3.51Å; K484-F582 HydrophobicContact CB-CZ 3.9Å; K484-F582 HydrophobicContact CD-CD1 4.39Å; K484-F582 HydrophobicContact CD-CE1 4.2Å; M520-F582 HydrophobicContact CB-CE2 4.14Å; M520-F582 HydrophobicContact CB-CZ 3.94Å; I522-F582 HydrophobicContact CD1-CB 4.3Å; I522-F582 HydrophobicContact CD1-CD1 4.27Å; I522-F582 HydrophobicContact CD1-CD2 3.7Å; I522-F582 HydrophobicContact CD1-CE2 4.01Å; I522-F582 HydrophobicContact CD1-CG 3.84Å; I522-F582 HydrophobicContact CD1-CZ 4.4Å; I522-F582 HydrophobicContact CG1-CD2 3.76Å; I522-F582 HydrophobicContact CG1-CE1 4.46Å; I522-F582 HydrophobicContact CG1-CE2 3.55Å; I522-F582 HydrophobicContact CG1-CG 4.32Å; I522-F582 HydrophobicContact CG1-CZ 3.93Å; I578-F582 WeakPolarHBondContact O-CB 3.46Å; I578-F582 PolarHBondContact O-N 2.96Å; F582-I585 HydrophobicContact CB-CD1 4.29Å; F582-I585 HydrophobicContact CB-CG1 4.33Å
583	G	79.3	Confident	62.2	Low	33 Å²	33	73.9 Å²	73.9	34%	0.34	44%	0.442	S	S	.	.			trans	82	-168.4	-175.2	0	0	0	0	0	112.8	R579 I585	R579-G583 WeakPolarHBondContact CA-O 3.31Å; R579-G583 WeakPolarHBondContact O-CA 3.35Å; R579-G583 PolarHBondContact O-N 3.32Å; G583-I585 PolarHBondContact O-N 3.2Å; G583-I585 VanDerWaalsContact O-N 3.15Å
584	D	57	Low	59.8	Low	143 Å²	143	81.1 Å²	81.1	77%	0.765	48%	0.481	S	S	*	.	S	Bend	trans	-67	112.3	171.7	-72.7	-29.1	0	0	0	108.7	R579 S586	R579-D584 WeakPolarHBondContact CD-OD1 3.23Å; D584-S586 PolarHBondContact O-N 3.05Å
585	I	47.6	Very low	56.9	Low	45 Å²	45	87 Å²	87	23%	0.231	52%	0.522	C	S	.	.			trans	-81.3	107.8	178.5	-61.2	170.4	0	0	0	107.4	I522 I578 F582 G583	I522-I585 HydrophobicContact CD1-CD1 3.37Å; I578-I585 HydrophobicContact CG2-CD1 3.09Å; I578-I585 HydrophobicContact CG2-CG1 4.35Å; F582-I585 HydrophobicContact CB-CD1 4.29Å; F582-I585 HydrophobicContact CB-CG1 4.33Å; G583-I585 PolarHBondContact O-N 3.2Å; G583-I585 VanDerWaalsContact O-N 3.15Å
586	S	33.1	Very low	54.3	Low	93 Å²	93	90.8 Å²	90.8	65%	0.65	54%	0.539	S	S	*	.			trans	-61.2	134.8	157.7	177.7	0	0	0	0	108	D584 D588	D584-S586 PolarHBondContact O-N 3.05Å; S586-D588 PolarHBondContact O-N 3.42Å
587	A	32	Very low	51.9	Low	94 Å²	94	92.8 Å²	92.8	78%	0.777	56%	0.559	S	S	*	*	S	Bend	trans	-66.8	2.6	-168.6	0	0	0	0	0	115.3
588	D	31.7	Very low	49	Very low	146 Å²	146	97 Å²	97	78%	0.781	59%	0.589	S	S	*	*			trans	-115.8	53.4	-169.8	-65.9	-39.4	0	0	0	114.3	S586	S586-D588 PolarHBondContact O-N 3.42Å
589	A	29.4	Very low	46.3	Very low	61 Å²	61	108.7 Å²	108.7	50%	0.504	63%	0.633	S	S	.	*			trans	-106.1	92.2	165.5	0	0	0	0	0	110
590	A	27.8	Very low	43.4	Very low	80 Å²	80	107.1 Å²	107.1	66%	0.661	64%	0.642	S	S	*	*			trans	-59.5	150.2	166.6	0	0	0	0	0	110.9	T592	A590-T592 PolarHBondContact O-N 2.84Å
591	P	32	Very low	40.6	Very low	102 Å²	102	108.9 Å²	108.9	66%	0.662	66%	0.66	S	S	*	*			trans	-66.2	117.5	-178.3	26.7	-31.9	0	0	0	109.9	A593	P591-A593 PolarHBondContact O-N 3.08Å
592	T	30.1	Very low	38.1	Very low	142 Å²	142	113.6 Å²	113.6	87%	0.871	69%	0.694	S	S	*	*			trans	-82.2	113.5	170.7	41.2	0	0	0	0	108.9	A590	A590-T592 PolarHBondContact O-N 2.84Å
593	A	30.5	Very low	35.4	Very low	92 Å²	92	116.6 Å²	116.6	76%	0.76	72%	0.724	S	S	*	*			trans	-73.3	133.2	164.8	0	0	0	0	0	109	P591	P591-A593 PolarHBondContact O-N 3.08Å
594	D	36.9	Very low	33	Very low	164 Å²	164	123.9 Å²	123.9	88%	0.877	75%	0.75	S	S	*	*			trans	42.5	104.7	166.3	-64	-24.3	0	0	0	118.2
595	S	29.2	Very low	31.8	Very low	123 Å²	123	128.3 Å²	128.3	86%	0.86	76%	0.756	S	S	*	*			trans	-136.5	124.9	144	64.9	0	0	0	0	111.1
596	E	32.7	Very low	31.1	Very low	182 Å²	182	132.8 Å²	132.8	85%	0.85	79%	0.788	S	S	*	*			trans	-57.9	140.2	178	-68.3	172.3	130.1	0	0	112.2	S598	E596-S598 PolarHBondContact O-N 3.17Å
597	T	38.2	Very low	30.8	Very low	141 Å²	141	132.2 Å²	132.2	87%	0.865	80%	0.797	S	S	*	*			trans	13.4	93.4	156.3	48	0	0	0	0	117.4
598	S	26.7	Very low	30.6	Very low	99 Å²	99	131.1 Å²	131.1	69%	0.692	79%	0.794	S	S	*	*			trans	-102.9	101.6	154.1	-173.2	0	0	0	0	109.5	E596 T600	E596-S598 PolarHBondContact O-N 3.17Å; S598-T600 PolarHBondContact O-N 3.43Å
599	R	33.5	Very low	30.6	Very low	245 Å²	245	130.1 Å²	130.1	93%	0.925	80%	0.799	S	S	*	*			trans	-73.4	96.4	160.5	-80.5	-178.9	-176.4	164.8	2.3	107.7
600	T	28.2	Very low	30.6	Very low	125 Å²	125	130.9 Å²	130.9	77%	0.767	81%	0.813	S	S	*	*			trans	-90.4	114.4	166.3	24.5	0	0	0	0	110.4	S598	S598-T600 PolarHBondContact O-N 3.43Å
601	T	28.7	Very low	30.8	Very low	130 Å²	130	135.1 Å²	135.1	80%	0.798	82%	0.824	S	S	*	*			trans	-63.6	135.8	169	42.5	0	0	0	0	111.6
602	S	31.2	Very low	30.9	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	84%	0.838	S	S	*	*			trans	0.2	109.4	159	-33.5	0	0	0	0	116.8
603	A	27.8	Very low	30.8	Very low	94 Å²	94	140.6 Å²	140.6	78%	0.777	84%	0.836	S	S	*	*			trans	-90.4	106.1	158.9	0	0	0	0	0	108.7
604	E	29.8	Very low	30.8	Very low	186 Å²	186	145.1 Å²	145.1	87%	0.869	84%	0.839	S	S	*	*			trans	-62.8	133.5	169.4	-71	176.1	142.5	0	0	110.3
605	W	31.6	Very low	30.4	Very low	237 Å²	237	146.6 Å²	146.6	90%	0.898	84%	0.84	S	S	*	*			trans	-84.5	140.3	167.3	-76.3	46	0	0	0	109	G607	W605-G607 PolarHBondContact O-N 3.07Å
606	P	32.5	Very low	30.5	Very low	138 Å²	138	148.2 Å²	148.2	90%	0.896	84%	0.838	S	S	*	*			trans	-77.5	112.5	-173.1	29.6	-31.2	0	0	0	110.9
607	G	27.2	Very low	30.5	Very low	82 Å²	82	145.3 Å²	145.3	85%	0.845	84%	0.838	S	S	*	*			trans	-113.3	125.8	160.2	0	0	0	0	0	109.6	W605	W605-G607 PolarHBondContact O-N 3.07Å
608	G	27.7	Very low	30.1	Very low	70 Å²	70	149.8 Å²	149.8	72%	0.722	84%	0.839	S	S	*	*			trans	164.8	88.7	171.9	0	0	0	0	0	116.1
609	S	31	Very low	30.3	Very low	125 Å²	125	150 Å²	150	87%	0.874	84%	0.84	S	S	*	*			trans	22.1	126.5	138.8	59.2	0	0	0	0	120.6
610	G	28.8	Very low	30.2	Very low	78 Å²	78	144.2 Å²	144.2	80%	0.804	83%	0.832	S	S	*	*			trans	-138.4	111.1	154.1	0	0	0	0	0	110.4
611	D	33.3	Very low	30.5	Very low	168 Å²	168	143.9 Å²	143.9	90%	0.898	83%	0.83	S	S	*	*			trans	-54.4	129.2	164.6	-88.3	-44.4	0	0	0	110.9
612	E	32.6	Very low	30.7	Very low	203 Å²	203	145.6 Å²	145.6	95%	0.949	83%	0.829	S	S	*	*			trans	-140.8	141.8	145	-84.7	-161.1	153.9	0	0	111.4
613	N	29.8	Very low	31	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	83%	0.826	S	S	*	*			trans	-106	156.9	-161.3	-164.8	1.2	0	0	0	109.5
614	K	29.4	Very low	31.3	Very low	188 Å²	188	147.4 Å²	147.4	82%	0.817	82%	0.821	S	S	*	*			trans	90.4	111.3	174	-61.8	173.3	170.4	173.9	0	116.9
615	E	28.9	Very low	31.6	Very low	194 Å²	194	143 Å²	143	91%	0.907	81%	0.811	S	S	*	*				-162.7	138.2	87.1	-109.1	-178.2	168.6	0	0	112
616	I	31	Very low	32	Very low	157 Å²	157	138.3 Å²	138.3	81%	0.805	80%	0.803	S	S	*	*			trans	-87.5	124.8	-178.9	-68.6	161.9	0	0	0	107.5
617	S	32.1	Very low	32.5	Very low	122 Å²	122	142.5 Å²	142.5	85%	0.853	82%	0.816	S	S	*	*			trans	-127.9	123.8	153.6	62.6	0	0	0	0	110.2
618	R	30.8	Very low	32.7	Very low	235 Å²	235	145.6 Å²	145.6	89%	0.887	81%	0.814	S	S	*	*			trans	-82.6	140.2	179.6	-74.8	170.6	164.3	167	-5.5	110.2
619	S	30.6	Very low	33	Very low	102 Å²	102	149.5 Å²	149.5	71%	0.713	82%	0.819	S	S	*	*			trans	-168.3	103.5	137.4	56.7	0	0	0	0	107.8
620	T	31.7	Very low	33.1	Very low	125 Å²	125	150.9 Å²	150.9	77%	0.767	82%	0.816	S	S	*	*				51.8	113.2	106.1	54.6	0	0	0	0	112
621	T	33.7	Very low	33.3	Very low	118 Å²	118	155.2 Å²	155.2	72%	0.724	82%	0.817	S	S	*	*				-168.1	132.2	72.9	36.3	0	0	0	0	109.7
622	E	34.2	Very low	33.3	Very low	165 Å²	165	154.4 Å²	154.4	77%	0.771	81%	0.812	S	S	*	*				55.9	109.9	111.5	-69.8	179.7	160.4	0	0	114.1
623	D	36.2	Very low	33.4	Very low	139 Å²	139	151.1 Å²	151.1	74%	0.743	80%	0.802	S	S	*	*				115.9	141.1	98.8	-104.3	-4	0	0	0	104.4
624	T	34.6	Very low	33.7	Very low	108 Å²	108	150.8 Å²	150.8	66%	0.663	80%	0.8	S	S	*	*			cis	-168.6	145.5	16.3	8.6	0	0	0	0	105.9
625	S	35.6	Very low	34	Very low	93 Å²	93	147.9 Å²	147.9	65%	0.65	80%	0.799	S	S	*	*			trans	28.4	141.9	136.4	63.6	0	0	0	0	119.9
626	N	39.9	Very low	34.4	Very low	139 Å²	139	144.1 Å²	144.1	74%	0.743	79%	0.79	S	S	*	*			cis	177.9	147.6	40.5	-128	-8.2	0	0	0	108.3
627	I	42.7	Very low	34.7	Very low	226 Å²	226	142.9 Å²	142.9	100%	1.159	79%	0.789	S	S	*	*			trans	74.7	0	153.2	-53.7	168.3	0	0	0	117.8

Retrieved 627 of 627 residues in 156.9 ms (Link to these results)

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