A0A087Y3E7_POEFO Loading...

Transmembrane and coiled-coil domains 4

AlphaFold DB , UniProt , Accession A0A087Y3E7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 544 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	A	28.6	Very low	45.6	Very low	160 Å²	160	109.2 Å²	109.2	100%	1.322	66%	0.663	S	S	*	*				0	103	0	0	0	0	0	0	107.3
2	A	25.7	Very low	49	Very low	94 Å²	94	111.1 Å²	111.1	78%	0.777	65%	0.649	S	S	*	*			trans	-118.8	115.7	167.4	0	0	0	0	0	104.9	H4	A2-H4 PolarHBondContact O-N 3.15Å
3	D	24.3	Very low	51.9	Low	165 Å²	165	110.3 Å²	110.3	88%	0.882	64%	0.636	S	S	*	*			trans	-62.7	96.3	176.9	-85.3	-32.9	0	0	0	109.5	E5	D3-E5 VanDerWaalsContact C-N 3.26Å; D3-E5 PolarHBondContact O-N 3.38Å; D3-E5 VanDerWaalsContact O-N 3.11Å
4	H	28.4	Very low	54.5	Low	190 Å²	190	102.9 Å²	102.9	88%	0.88	59%	0.593	S	S	*	*			trans	-78.1	85.8	159	-104.6	-46.1	0	0	0	108	A2 P6	A2-H4 PolarHBondContact O-N 3.15Å; H4-P6 WeakPolarHBondContact O-CD 3.39Å
5	E	25.6	Very low	57	Low	153 Å²	153	100.7 Å²	100.7	72%	0.715	58%	0.582	S	S	*	*			trans	-52.7	119.7	165.2	-93.4	-91.8	134.5	0	0	109.8	D3 G7	D3-E5 VanDerWaalsContact C-N 3.26Å; D3-E5 PolarHBondContact O-N 3.38Å; D3-E5 VanDerWaalsContact O-N 3.11Å; E5-G7 PolarHBondContact O-N 3.4Å; E5-G7 VanDerWaalsContact O-N 3.08Å
6	P	32.9	Very low	59.2	Low	117 Å²	117	103.3 Å²	103.3	76%	0.76	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	99.6	178.9	28.6	-30.6	0	0	0	109.8	H4	H4-P6 WeakPolarHBondContact O-CD 3.39Å
7	G	47.4	Very low	61.1	Low	75 Å²	75	106.1 Å²	106.1	77%	0.773	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	144.7	6.6	170.1	0	0	0	0	0	117.8	E5 I9	E5-G7 PolarHBondContact O-N 3.4Å; E5-G7 VanDerWaalsContact O-N 3.08Å; G7-I9 PolarHBondContact O-N 3.11Å
8	K	57.4	Low	62.9	Low	157 Å²	157	100.3 Å²	100.3	68%	0.683	56%	0.562	S	S	*	*			trans	-87.3	109.3	179.1	-144.5	172.4	-174.8	-178.7	0	110.3	T10	K8-T10 PolarHBondContact O-N 2.95Å
9	I	71.8	Confident	64.6	Low	51 Å²	51	97.4 Å²	97.4	26%	0.262	54%	0.541	S	S	.	.			trans	-58.8	117.1	171.9	-64.7	171	0	0	0	107.9	G7 S11 R12 D99	G7-I9 PolarHBondContact O-N 3.11Å; I9-S11 VanDerWaalsContact C-N 3.35Å; I9-S11 WeakPolarHBondContact CG2-OG 3.24Å; I9-S11 PolarHBondContact O-N 3.09Å; I9-R12 HydrophobicContact CB-CG 4.11Å; I9-R12 HydrophobicContact CG2-CG 3.96Å; I9-R12 WeakPolarHBondContact O-CB 3.41Å; I9-R12 PolarHBondContact O-N 3.47Å; I9-D99 HydrophobicContact CG2-CB 4.31Å; I9-D99 WeakPolarHBondContact CG2-OD2 3.28Å
10	T	79.4	Confident	66.1	Low	37 Å²	37	95.8 Å²	95.8	23%	0.227	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-67.5	-38.1	-172.6	-53.5	0	0	0	0	111.5	K8 R12 Q13 P95 D99	K8-T10 PolarHBondContact O-N 2.95Å; T10-R12 PolarHBondContact O-N 2.91Å; T10-R12 VanDerWaalsContact O-N 3.09Å; T10-Q13 VanDerWaalsContact O-CB 3.24Å; T10-Q13 WeakPolarHBondContact O-CB 3.39Å; T10-Q13 WeakPolarHBondContact O-CG 3.33Å; T10-Q13 PolarHBondContact O-N 3.11Å; T10-P95 HydrophobicContact CG2-CB 3.8Å; T10-D99 WeakPolarHBondContact CA-OD2 3.37Å; T10-D99 PolarHBondContact N-OD1 2.85Å; T10-D99 PolarHBondContact N-OD2 3.48Å
11	S	80.2	Confident	67.5	Low	2 Å²	2	91.2 Å²	91.2	1%	0.014	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-61.7	-15.2	177	53.6	0	0	0	0	113.8	I9 Q13 L14 R19 D99	I9-S11 VanDerWaalsContact C-N 3.35Å; I9-S11 WeakPolarHBondContact CG2-OG 3.24Å; I9-S11 PolarHBondContact O-N 3.09Å; S11-Q13 VanDerWaalsContact C-N 3.3Å; S11-L14 WeakPolarHBondContact O-CB 3.44Å; S11-R19 WeakPolarHBondContact O-CG 3.4Å; S11-D99 VanDerWaalsContact CB-OD2 3.27Å; S11-D99 WeakPolarHBondContact CB-OD2 3Å; S11-D99 PolarHBondContact N-OD2 2.73Å; S11-D99 PolarHBondContact OG-OD2 2.98Å
12	R	86.6	Confident	70.6	Confident	132 Å²	132	83.8 Å²	83.8	50%	0.498	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-77.7	-13.7	169.5	-70.3	-173.7	176.3	-165.9	-6.8	113.9	I9 T10 L14 Q52 C53	I9-R12 HydrophobicContact CB-CG 4.11Å; I9-R12 HydrophobicContact CG2-CG 3.96Å; I9-R12 WeakPolarHBondContact O-CB 3.41Å; I9-R12 PolarHBondContact O-N 3.47Å; T10-R12 PolarHBondContact O-N 2.91Å; T10-R12 VanDerWaalsContact O-N 3.09Å; R12-L14 VanDerWaalsContact C-N 3.34Å; R12-Q52 PolarHBondContact NH2-O 2.89Å; R12-C53 PolarHBondContact NE-O 2.95Å; R12-C53 PolarHBondContact NH2-O 2.97Å
13	Q	87.1	Confident	73.9	Confident	101 Å²	101	79.3 Å²	79.3	47%	0.472	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-86.1	-12.2	176.6	-54.5	178.7	12.6	0	0	112.2	T10 S11 L88	T10-Q13 VanDerWaalsContact O-CB 3.24Å; T10-Q13 WeakPolarHBondContact O-CB 3.39Å; T10-Q13 WeakPolarHBondContact O-CG 3.33Å; T10-Q13 PolarHBondContact O-N 3.11Å; S11-Q13 VanDerWaalsContact C-N 3.3Å; Q13-L88 HydrophobicContact CB-CD1 3.64Å
14	L	88.2	Confident	77.3	Confident	6 Å²	6	71.4 Å²	71.4	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	-61.2	150	172.1	-69	173.5	0	0	0	110.9	S11 R12 R19 D86 L88 V89 I96	S11-L14 WeakPolarHBondContact O-CB 3.44Å; R12-L14 VanDerWaalsContact C-N 3.34Å; L14-R19 HydrophobicContact CB-CG 3.61Å; L14-R19 HydrophobicContact CD1-CG 4.47Å; L14-R19 PolarHBondContact O-NE 3.4Å; L14-D86 HydrophobicContact CD2-CB 4.35Å; L14-L88 HydrophobicContact CD2-CB 4.05Å; L14-L88 HydrophobicContact CD2-CD1 4.18Å; L14-V89 HydrophobicContact CD2-CG2 3.88Å; L14-I96 HydrophobicContact CD1-CD1 4.02Å; L14-I96 HydrophobicContact CD1-CG1 4.33Å; L14-I96 HydrophobicContact CD2-CD1 3.91Å; L14-I96 HydrophobicContact CG-CD1 4.39Å
15	T	91.8	Very high	80.5	Confident	70 Å²	70	62.4 Å²	62.4	43%	0.429	32%	0.32	S	S	.	.			trans	-58.4	156.7	171.7	74.9	0	0	0	0	110.5	Q17 S18 R19 D86	T15-Q17 PolarHBondContact O-N 3.49Å; T15-S18 PolarHBondContact O-N 3.1Å; T15-S18 VanDerWaalsContact O-N 3.13Å; T15-S18 WeakPolarHBondContact OG1-CB 3.3Å; T15-S18 PolarHBondContact OG1-N 3.03Å; T15-S18 VanDerWaalsContact OG1-N 3.11Å; T15-S18 PolarHBondContact OG1-OG 2.85Å; T15-R19 WeakPolarHBondContact O-CG 3.11Å; T15-R19 PolarHBondContact O-N 3.41Å; T15-D86 PolarHBondContact N-OD2 3.28Å
16	E	91.3	Very high	83.8	Confident	142 Å²	142	55.1 Å²	55.1	66%	0.664	29%	0.286	S	S	*	.	H	α-helix	trans	-57.4	-38.6	177.7	-172.5	172.8	-174.2	0	0	112.5	R19 F20	E16-R19 PolarHBondContact O-N 3.44Å; E16-F20 WeakPolarHBondContact O-CB 3.17Å; E16-F20 PolarHBondContact O-N 2.93Å
17	Q	92.8	Very high	86.7	Confident	151 Å²	151	49.5 Å²	49.5	71%	0.706	25%	0.25	S	S	*	.	H	α-helix	trans	-62	-46.3	174.8	-65.7	177.4	-8.3	0	0	111.6	T15 F20 A21 I82	T15-Q17 PolarHBondContact O-N 3.49Å; Q17-F20 PolarHBondContact O-N 3.3Å; Q17-A21 WeakPolarHBondContact O-CB 3.39Å; Q17-A21 PolarHBondContact O-N 2.87Å; Q17-I82 HydrophobicContact CB-CG2 4.44Å
18	S	93.5	Very high	89	Confident	3 Å²	3	46 Å²	46	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-38.7	177.3	-58.1	0	0	0	0	112.5	T15 A21 F22 L83 D86	T15-S18 PolarHBondContact O-N 3.1Å; T15-S18 VanDerWaalsContact O-N 3.13Å; T15-S18 WeakPolarHBondContact OG1-CB 3.3Å; T15-S18 PolarHBondContact OG1-N 3.03Å; T15-S18 VanDerWaalsContact OG1-N 3.11Å; T15-S18 PolarHBondContact OG1-OG 2.85Å; S18-A21 PolarHBondContact O-N 3.28Å; S18-F22 WeakPolarHBondContact O-CB 3.39Å; S18-F22 PolarHBondContact O-N 3.31Å; S18-L83 VanDerWaalsContact O-CD2 3.31Å; S18-L83 WeakPolarHBondContact O-CD2 3.34Å; S18-D86 WeakPolarHBondContact CB-OD2 3.1Å; S18-D86 WeakPolarHBondContact OG-CB 3.21Å; S18-D86 PolarHBondContact OG-OD2 3.21Å
19	R	94.6	Very high	90.8	Very high	44 Å²	44	38.7 Å²	38.7	17%	0.166	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-44.6	175.2	-70.2	-173.2	-71.2	143.5	2.8	111.2	S11 L14 T15 E16 F22 A23 L54 G55 L56	S11-R19 WeakPolarHBondContact O-CG 3.4Å; L14-R19 HydrophobicContact CB-CG 3.61Å; L14-R19 HydrophobicContact CD1-CG 4.47Å; L14-R19 PolarHBondContact O-NE 3.4Å; T15-R19 WeakPolarHBondContact O-CG 3.11Å; T15-R19 PolarHBondContact O-N 3.41Å; E16-R19 PolarHBondContact O-N 3.44Å; R19-F22 PolarHBondContact O-N 3.11Å; R19-A23 WeakPolarHBondContact O-CB 3.38Å; R19-A23 PolarHBondContact O-N 3.2Å; R19-L54 VanDerWaalsContact CD-O 3.27Å; R19-L54 WeakPolarHBondContact CD-O 3.29Å; R19-L54 PolarHBondContact NH1-O 3.3Å; R19-G55 PolarHBondContact NH1-O 3.08Å; R19-L56 HydrophobicContact CB-CD2 3.84Å; R19-L56 HydrophobicContact CB-CG 4.31Å
20	F	95	Very high	91.8	Very high	65 Å²	65	36.2 Å²	36.2	29%	0.285	17%	0.17	S	C	.	.	H	α-helix	trans	-61.8	-48.5	174.7	-178.5	-85.9	0	0	0	111.3	E16 Q17 F22 A23 A24 V60 V63 M64 F67	E16-F20 WeakPolarHBondContact O-CB 3.17Å; E16-F20 PolarHBondContact O-N 2.93Å; Q17-F20 PolarHBondContact O-N 3.3Å; F20-F22 VanDerWaalsContact C-N 3.3Å; F20-F22 PolarHBondContact O-N 2.62Å; F20-A23 PolarHBondContact O-N 3.34Å; F20-A24 HydrophobicContact CE1-CB 4.43Å; F20-A24 WeakPolarHBondContact O-CB 3.42Å; F20-A24 PolarHBondContact O-N 3.39Å; F20-V60 HydrophobicContact CD2-CB 4.42Å; F20-V60 HydrophobicContact CD2-CG1 4.19Å; F20-V60 HydrophobicContact CE2-CB 4.25Å; F20-V60 HydrophobicContact CE2-CG1 4.31Å; F20-V63 HydrophobicContact CZ-CG1 4.04Å; F20-M64 HydrophobicContact CD1-CE 4.45Å; F20-M64 HydrophobicContact CD2-CE 3.47Å; F20-M64 VanDerWaalsContact CD2-CE 3.47Å; F20-M64 HydrophobicContact CE1-CE 4.37Å; F20-M64 HydrophobicContact CE2-CE 3.39Å; F20-M64 HydrophobicContact CG-CE 4.03Å; F20-M64 HydrophobicContact CZ-CE 3.86Å; F20-F67 HydrophobicContact CE1-CE2 4.31Å; F20-F67 HydrophobicContact CZ-CE2 4.15Å
21	A	94.8	Very high	92.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-39	178.5	0	0	0	0	0	112.2	Q17 S18 A24 L25 F79 I82 L83	Q17-A21 WeakPolarHBondContact O-CB 3.39Å; Q17-A21 PolarHBondContact O-N 2.87Å; S18-A21 PolarHBondContact O-N 3.28Å; A21-A24 PolarHBondContact O-N 2.86Å; A21-L25 VanDerWaalsContact O-CB 3.29Å; A21-L25 WeakPolarHBondContact O-CB 3.38Å; A21-L25 PolarHBondContact O-N 3.08Å; A21-F79 HydrophobicContact CB-CB 4.28Å; A21-F79 HydrophobicContact CB-CD1 4.21Å; A21-I82 HydrophobicContact CB-CB 4.02Å; A21-I82 HydrophobicContact CB-CD1 4.4Å; A21-I82 HydrophobicContact CB-CG2 3.77Å; A21-L83 HydrophobicContact CB-CD2 4.29Å; A21-L83 HydrophobicContact CB-CG 4.12Å
22	F	94.6	Very high	92.9	Very high	3 Å²	3	38.7 Å²	38.7	1%	0.013	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-43.8	176.2	-171.6	-114.9	0	0	0	112.4	S18 R19 F20 L25 C26 L50 L54 L83 I96 L100 V121 L125	S18-F22 WeakPolarHBondContact O-CB 3.39Å; S18-F22 PolarHBondContact O-N 3.31Å; R19-F22 PolarHBondContact O-N 3.11Å; F20-F22 VanDerWaalsContact C-N 3.3Å; F20-F22 PolarHBondContact O-N 2.62Å; F22-L25 PolarHBondContact O-N 2.77Å; F22-C26 PolarHBondContact O-N 2.86Å; F22-C26 PolarHBondContact O-SG 3.13Å; F22-L50 HydrophobicContact CE1-CD1 4.32Å; F22-L54 HydrophobicContact CD1-CD1 3.98Å; F22-L54 HydrophobicContact CD1-CD2 3.9Å; F22-L54 HydrophobicContact CE1-CD2 4.45Å; F22-L83 HydrophobicContact CB-CD1 4.49Å; F22-L83 HydrophobicContact CB-CD2 3.85Å; F22-L83 HydrophobicContact CD2-CD1 4.25Å; F22-L83 HydrophobicContact CD2-CD2 4.5Å; F22-I96 HydrophobicContact CD1-CG2 4.16Å; F22-I96 HydrophobicContact CD2-CG2 4.01Å; F22-I96 HydrophobicContact CE1-CG2 3.72Å; F22-I96 HydrophobicContact CE2-CG2 3.57Å; F22-I96 HydrophobicContact CG-CG2 4.3Å; F22-I96 HydrophobicContact CZ-CG2 3.42Å; F22-I96 VanDerWaalsContact CZ-CG2 3.42Å; F22-L100 HydrophobicContact CZ-CD2 4.47Å; F22-V121 HydrophobicContact CE2-CG1 3.98Å; F22-L125 HydrophobicContact CE2-CD1 4.1Å
23	A	95.2	Very high	93.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-43.9	174.9	0	0	0	0	0	111.5	R19 F20 C26 A27 L54 L56 M64	R19-A23 WeakPolarHBondContact O-CB 3.38Å; R19-A23 PolarHBondContact O-N 3.2Å; F20-A23 PolarHBondContact O-N 3.34Å; A23-C26 PolarHBondContact O-N 2.91Å; A23-A27 WeakPolarHBondContact O-CB 3.48Å; A23-A27 PolarHBondContact O-N 3.49Å; A23-L54 HydrophobicContact CB-CD1 3.75Å; A23-L56 HydrophobicContact CB-CD1 3.71Å; A23-M64 HydrophobicContact CB-CE 3.73Å; A23-M64 HydrophobicContact CB-SD 3.86Å
24	A	94.9	Very high	93.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-44.9	177.9	0	0	0	0	0	111.8	F20 A21 C26 A27 V28 M64 F67 F79	F20-A24 HydrophobicContact CE1-CB 4.43Å; F20-A24 WeakPolarHBondContact O-CB 3.42Å; F20-A24 PolarHBondContact O-N 3.39Å; A21-A24 PolarHBondContact O-N 2.86Å; A24-C26 VanDerWaalsContact C-N 3.32Å; A24-C26 PolarHBondContact O-N 3.09Å; A24-A27 PolarHBondContact O-N 2.74Å; A24-A27 VanDerWaalsContact O-N 3.15Å; A24-V28 WeakPolarHBondContact O-CG2 3.24Å; A24-V28 PolarHBondContact O-N 3.25Å; A24-M64 HydrophobicContact CB-CE 4.36Å; A24-M64 HydrophobicContact CB-SD 4.3Å; A24-F67 HydrophobicContact CB-CD2 3.67Å; A24-F67 HydrophobicContact CB-CE2 3.54Å; A24-F79 HydrophobicContact CB-CD1 4Å; A24-F79 HydrophobicContact CB-CD2 4.05Å; A24-F79 HydrophobicContact CB-CE1 3.69Å; A24-F79 HydrophobicContact CB-CE2 3.75Å; A24-F79 HydrophobicContact CB-CG 4.19Å; A24-F79 HydrophobicContact CB-CZ 3.56Å
25	L	95	Very high	93.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-56.9	-45.8	175	-177.2	67.6	0	0	0	111.5	A21 F22 S29 T76 F79 L80 L83 V121 L124 L125	A21-L25 VanDerWaalsContact O-CB 3.29Å; A21-L25 WeakPolarHBondContact O-CB 3.38Å; A21-L25 PolarHBondContact O-N 3.08Å; F22-L25 PolarHBondContact O-N 2.77Å; L25-S29 VanDerWaalsContact O-CB 3.28Å; L25-S29 WeakPolarHBondContact O-CB 3.43Å; L25-S29 PolarHBondContact O-N 3.43Å; L25-S29 PolarHBondContact O-OG 3.46Å; L25-T76 HydrophobicContact CD1-CG2 3.82Å; L25-F79 HydrophobicContact CB-CB 4.38Å; L25-L80 HydrophobicContact CD1-CD2 4.19Å; L25-L80 HydrophobicContact CD1-CG 4.26Å; L25-L80 HydrophobicContact CD2-CD2 3.8Å; L25-L83 HydrophobicContact CD2-CD1 3.75Å; L25-V121 HydrophobicContact CD2-CG1 4.23Å; L25-L124 HydrophobicContact CD1-CD1 3.93Å; L25-L124 HydrophobicContact CG-CD1 4.47Å; L25-L125 HydrophobicContact CD2-CD2 4.45Å
26	C	95.1	Very high	93	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-39	176.6	-66.9	0	0	0	0	112.2	F22 A23 A24 S29 L30 L50	F22-C26 PolarHBondContact O-N 2.86Å; F22-C26 PolarHBondContact O-SG 3.13Å; A23-C26 PolarHBondContact O-N 2.91Å; A24-C26 VanDerWaalsContact C-N 3.32Å; A24-C26 PolarHBondContact O-N 3.09Å; C26-S29 PolarHBondContact O-N 2.96Å; C26-L30 WeakPolarHBondContact O-CB 3.11Å; C26-L30 VanDerWaalsContact O-CG 3.29Å; C26-L30 WeakPolarHBondContact O-CG 3.41Å; C26-L30 PolarHBondContact O-N 3.43Å; C26-L50 HydrophobicContact CB-CD2 3.34Å
27	A	95.1	Very high	92.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-47.4	178.3	0	0	0	0	0	111.9	A23 A24 L30 G31 L47 M64 F67	A23-A27 WeakPolarHBondContact O-CB 3.48Å; A23-A27 PolarHBondContact O-N 3.49Å; A24-A27 PolarHBondContact O-N 2.74Å; A24-A27 VanDerWaalsContact O-N 3.15Å; A27-L30 PolarHBondContact O-N 3.08Å; A27-G31 PolarHBondContact O-N 2.96Å; A27-L47 HydrophobicContact CB-CD1 3.78Å; A27-L47 HydrophobicContact CB-CD2 4.38Å; A27-M64 HydrophobicContact CB-SD 4.45Å; A27-F67 HydrophobicContact CB-CB 3.86Å
28	V	94.6	Very high	92.3	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-47	174.5	173.5	0	0	0	0	110.3	A24 L30 G31 Q32 F67 F79	A24-V28 WeakPolarHBondContact O-CG2 3.24Å; A24-V28 PolarHBondContact O-N 3.25Å; V28-L30 PolarHBondContact O-N 3Å; V28-G31 PolarHBondContact O-N 3.27Å; V28-G31 VanDerWaalsContact O-N 3.16Å; V28-Q32 HydrophobicContact CG1-CG 4.37Å; V28-Q32 WeakPolarHBondContact O-CG 3.49Å; V28-Q32 PolarHBondContact O-N 3.44Å; V28-F67 HydrophobicContact CG2-CB 3.89Å; V28-F67 HydrophobicContact CG2-CG 4.24Å; V28-F79 HydrophobicContact CG2-CE2 4.25Å
29	S	94.5	Very high	92.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-42.7	178.5	-60.5	0	0	0	0	112.2	L25 C26 Q32 L33 H120	L25-S29 VanDerWaalsContact O-CB 3.28Å; L25-S29 WeakPolarHBondContact O-CB 3.43Å; L25-S29 PolarHBondContact O-N 3.43Å; L25-S29 PolarHBondContact O-OG 3.46Å; C26-S29 PolarHBondContact O-N 2.96Å; S29-Q32 PolarHBondContact O-N 3.31Å; S29-L33 VanDerWaalsContact O-CB 3.3Å; S29-L33 WeakPolarHBondContact O-CB 3.46Å; S29-L33 WeakPolarHBondContact O-CD1 3.33Å; S29-L33 WeakPolarHBondContact O-CG 3.31Å; S29-L33 PolarHBondContact O-N 2.97Å; S29-H120 PolarHBondContact OG-CD2 3.34Å
30	L	94.2	Very high	91.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-41.4	175	-82.1	168.8	0	0	0	112	C26 A27 V28 F34 F42 R43 Y46 L68 L117	C26-L30 WeakPolarHBondContact O-CB 3.11Å; C26-L30 VanDerWaalsContact O-CG 3.29Å; C26-L30 WeakPolarHBondContact O-CG 3.41Å; C26-L30 PolarHBondContact O-N 3.43Å; A27-L30 PolarHBondContact O-N 3.08Å; V28-L30 PolarHBondContact O-N 3Å; L30-F34 HydrophobicContact CD2-CD2 3.89Å; L30-F34 HydrophobicContact CD2-CE2 4.14Å; L30-F34 WeakPolarHBondContact O-CB 3.38Å; L30-F34 PolarHBondContact O-N 3.38Å; L30-F34 VanDerWaalsContact O-N 3.07Å; L30-F42 HydrophobicContact CD2-CE1 4.02Å; L30-R43 HydrophobicContact CB-CG 4.42Å; L30-R43 WeakPolarHBondContact O-CD 3.25Å; L30-Y46 HydrophobicContact CD1-CD1 3.83Å; L30-L68 HydrophobicContact CB-CD1 3.58Å; L30-L68 HydrophobicContact CD1-CD1 4.28Å; L30-L117 HydrophobicContact CD1-CD2 4.19Å; L30-L117 HydrophobicContact CD2-CD1 4.18Å; L30-L117 HydrophobicContact CD2-CD2 3.76Å; L30-L117 HydrophobicContact CD2-CG 4.36Å; L30-L117 HydrophobicContact CG-CD1 3.89Å; L30-L117 HydrophobicContact CG-CD2 3.78Å; L30-L117 HydrophobicContact CG-CG 4.41Å
31	G	91.6	Very high	91.8	Very high	7 Å²	7	25.3 Å²	25.3	7%	0.072	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-43.3	177.1	0	0	0	0	0	112.7	A27 V28 S35 L68	A27-G31 PolarHBondContact O-N 2.96Å; V28-G31 PolarHBondContact O-N 3.27Å; V28-G31 VanDerWaalsContact O-N 3.16Å; G31-S35 PolarHBondContact O-N 2.85Å; G31-L68 WeakPolarHBondContact CA-O 3.38Å
32	Q	91.1	Very high	91.7	Very high	83 Å²	83	26.7 Å²	26.7	39%	0.388	17%	0.173	S	C	.	.	H	α-helix	trans	-69.7	-47.9	179.1	-71.4	176.9	-4.8	0	0	112.4	V28 S29	V28-Q32 HydrophobicContact CG1-CG 4.37Å; V28-Q32 WeakPolarHBondContact O-CG 3.49Å; V28-Q32 PolarHBondContact O-N 3.44Å; S29-Q32 PolarHBondContact O-N 3.31Å
33	L	91.4	Very high	91.7	Very high	25 Å²	25	28 Å²	28	13%	0.131	18%	0.178	C	C	.	.	H	α-helix	trans	-73.6	-31.2	-175.3	-67.3	168.6	0	0	0	113.1	S29 V116 L117 H120	S29-L33 VanDerWaalsContact O-CB 3.3Å; S29-L33 WeakPolarHBondContact O-CB 3.46Å; S29-L33 WeakPolarHBondContact O-CD1 3.33Å; S29-L33 WeakPolarHBondContact O-CG 3.31Å; S29-L33 PolarHBondContact O-N 2.97Å; L33-V116 HydrophobicContact CD1-CG1 4.38Å; L33-L117 HydrophobicContact CD1-CD1 4.29Å; L33-H120 HydrophobicContact CD1-CB 3.82Å
34	F	91.9	Very high	91.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.009	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	48.7	-170	-52.5	-63.1	0	0	0	112.6	L30 G36 N39 F42 R43 R113 V116 A422	L30-F34 HydrophobicContact CD2-CD2 3.89Å; L30-F34 HydrophobicContact CD2-CE2 4.14Å; L30-F34 WeakPolarHBondContact O-CB 3.38Å; L30-F34 PolarHBondContact O-N 3.38Å; L30-F34 VanDerWaalsContact O-N 3.07Å; F34-G36 PolarHBondContact O-N 3.39Å; F34-N39 HydrophobicContact CB-CB 3.75Å; F34-F42 HydrophobicContact CD2-CE1 4.48Å; F34-R43 HydrophobicContact CB-CG 4.2Å; F34-R43 VanDerWaalsContact O-CD 3.28Å; F34-R43 WeakPolarHBondContact O-CD 3.34Å; F34-R43 PolarHBondContact O-NE 2.88Å; F34-R43 PolarHBondContact O-NH1 3.38Å; F34-R43 PolarHBondContact O-NH2 3.34Å; F34-R113 HydrophobicContact CD1-CB 4.37Å; F34-R113 HydrophobicContact CD1-CG 4.07Å; F34-R113 HydrophobicContact CD2-CB 4.48Å; F34-R113 HydrophobicContact CE1-CB 3.77Å; F34-R113 HydrophobicContact CE1-CG 3.64Å; F34-R113 HydrophobicContact CE2-CB 3.89Å; F34-R113 WeakPolarHBondContact CE2-O 3.1Å; F34-R113 HydrophobicContact CZ-CB 3.51Å; F34-R113 HydrophobicContact CZ-CG 3.95Å; F34-R113 WeakPolarHBondContact CZ-O 3.48Å; F34-V116 HydrophobicContact CZ-CB 4.07Å; F34-V116 HydrophobicContact CZ-CG1 4.04Å; F34-A422 HydrophobicContact CE1-CB 4.21Å; F34-A422 WeakPolarHBondContact CE1-O 3.27Å
35	S	86.4	Confident	91.6	Very high	90 Å²	90	34.9 Å²	34.9	63%	0.629	21%	0.21	S	C	*	.			trans	-60.6	-26.3	-178	60.6	0	0	0	0	114.2	G31 R43	G31-S35 PolarHBondContact O-N 2.85Å; S35-R43 PolarHBondContact O-NH2 3.44Å
36	G	84.4	Confident	91.5	Very high	18 Å²	18	35.5 Å²	35.5	19%	0.186	21%	0.213	C	C	.	.	S	Bend	trans	-53.6	145.7	-180	0	0	0	0	0	114.9	F34 E38 N39 R43	F34-G36 PolarHBondContact O-N 3.39Å; G36-E38 VanDerWaalsContact C-OE2 3.3Å; G36-E38 WeakPolarHBondContact CA-OE2 3.46Å; G36-E38 PolarHBondContact O-N 3.22Å; G36-N39 PolarHBondContact O-N 3.07Å; G36-N39 VanDerWaalsContact O-N 3.14Å; G36-R43 PolarHBondContact O-NH2 3.15Å
37	S	85.1	Confident	91.5	Very high	98 Å²	98	35.5 Å²	35.5	69%	0.685	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-61.5	-32.3	179.5	64.2	0	0	0	0	112.9	N39 S40	S37-N39 PolarHBondContact O-N 2.86Å; S37-S40 VanDerWaalsContact O-CB 3.31Å; S37-S40 WeakPolarHBondContact O-CB 3.27Å; S37-S40 PolarHBondContact O-N 3.21Å; S37-S40 VanDerWaalsContact O-N 3.15Å; S37-S40 PolarHBondContact O-OG 3.36Å
38	E	85.1	Confident	91.5	Very high	55 Å²	55	38.6 Å²	38.6	26%	0.257	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-61.7	-23.3	176.9	64.8	-84.2	-163.6	0	0	112.9	G36	G36-E38 VanDerWaalsContact C-OE2 3.3Å; G36-E38 WeakPolarHBondContact CA-OE2 3.46Å; G36-E38 PolarHBondContact O-N 3.22Å
39	N	90.3	Very high	91.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-98.3	-1.6	-179.5	-65.9	-52.2	0	0	0	113.5	F34 G36 S37 A41 F42 R43 R113	F34-N39 HydrophobicContact CB-CB 3.75Å; G36-N39 PolarHBondContact O-N 3.07Å; G36-N39 VanDerWaalsContact O-N 3.14Å; S37-N39 PolarHBondContact O-N 2.86Å; N39-A41 PolarHBondContact O-N 2.97Å; N39-F42 PolarHBondContact O-N 3.38Å; N39-R43 WeakPolarHBondContact O-CB 3.38Å; N39-R43 WeakPolarHBondContact O-CG 3.46Å; N39-R43 PolarHBondContact O-N 2.94Å; N39-R113 WeakPolarHBondContact OD1-CD 3.27Å; N39-R113 PolarHBondContact OD1-NH1 2.71Å
40	S	90.6	Very high	91.3	Very high	66 Å²	66	39.9 Å²	39.9	46%	0.462	23%	0.234	S	C	.	.	H	α-helix	trans	-55.1	-51.5	-176.8	55.7	0	0	0	0	112.9	S37 F42 R43 E44	S37-S40 VanDerWaalsContact O-CB 3.31Å; S37-S40 WeakPolarHBondContact O-CB 3.27Å; S37-S40 PolarHBondContact O-N 3.21Å; S37-S40 VanDerWaalsContact O-N 3.15Å; S37-S40 PolarHBondContact O-OG 3.36Å; S40-F42 VanDerWaalsContact C-N 3.34Å; S40-F42 PolarHBondContact O-N 3.2Å; S40-R43 PolarHBondContact O-N 3.25Å; S40-E44 PolarHBondContact O-N 3.32Å
41	A	92.1	Very high	91.3	Very high	76 Å²	76	39.9 Å²	39.9	63%	0.628	23%	0.234	S	C	*	.	H	α-helix	trans	-61.4	-41.2	179.3	0	0	0	0	0	112.4	N39 Q45	N39-A41 PolarHBondContact O-N 2.97Å; A41-Q45 WeakPolarHBondContact O-CB 3.26Å; A41-Q45 PolarHBondContact O-N 2.9Å; A41-Q45 VanDerWaalsContact O-N 3.1Å
42	F	92.9	Very high	91.3	Very high	29 Å²	29	45.5 Å²	45.5	13%	0.127	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-48.4	176.8	168.4	-98.3	0	0	0	111.7	L30 F34 N39 S40 E44 Q45 Y46 D111 R113 A114	L30-F42 HydrophobicContact CD2-CE1 4.02Å; F34-F42 HydrophobicContact CD2-CE1 4.48Å; N39-F42 PolarHBondContact O-N 3.38Å; S40-F42 VanDerWaalsContact C-N 3.34Å; S40-F42 PolarHBondContact O-N 3.2Å; F42-E44 PolarHBondContact O-N 2.75Å; F42-Q45 PolarHBondContact O-N 2.9Å; F42-Y46 HydrophobicContact CE2-CD2 4.06Å; F42-Y46 AromaticContact CZ-CD2 3.91Å; F42-Y46 HydrophobicContact CZ-CD2 3.91Å; F42-Y46 HydrophobicContact CZ-CG 4.28Å; F42-Y46 VanDerWaalsContact O-CB 3.23Å; F42-Y46 WeakPolarHBondContact O-CB 3.07Å; F42-Y46 PolarHBondContact O-N 2.85Å; F42-D111 HydrophobicContact CE2-CB 4.11Å; F42-R113 HydrophobicContact CD1-CB 4.08Å; F42-R113 HydrophobicContact CE1-CB 3.46Å; F42-R113 VanDerWaalsContact CE1-CB 3.46Å; F42-R113 HydrophobicContact CE1-CG 4.45Å; F42-R113 HydrophobicContact CE2-CB 4.35Å; F42-R113 VanDerWaalsContact CG-CZ 3.46Å; F42-R113 HydrophobicContact CZ-CB 3.63Å; F42-A114 HydrophobicContact CE2-CB 4.49Å; F42-A114 HydrophobicContact CZ-CB 4.1Å
43	R	94.2	Very high	91.2	Very high	30 Å²	30	42.4 Å²	42.4	11%	0.113	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-47.4	-179.3	-75.8	-172	-70.8	-179.5	-15.1	111.7	L30 F34 S35 G36 N39 S40 L47 L68	L30-R43 HydrophobicContact CB-CG 4.42Å; L30-R43 WeakPolarHBondContact O-CD 3.25Å; F34-R43 HydrophobicContact CB-CG 4.2Å; F34-R43 VanDerWaalsContact O-CD 3.28Å; F34-R43 WeakPolarHBondContact O-CD 3.34Å; F34-R43 PolarHBondContact O-NE 2.88Å; F34-R43 PolarHBondContact O-NH1 3.38Å; F34-R43 PolarHBondContact O-NH2 3.34Å; S35-R43 PolarHBondContact O-NH2 3.44Å; G36-R43 PolarHBondContact O-NH2 3.15Å; N39-R43 WeakPolarHBondContact O-CB 3.38Å; N39-R43 WeakPolarHBondContact O-CG 3.46Å; N39-R43 PolarHBondContact O-N 2.94Å; S40-R43 PolarHBondContact O-N 3.25Å; R43-L47 VanDerWaalsContact O-CB 3.24Å; R43-L47 WeakPolarHBondContact O-CB 3.44Å; R43-L47 PolarHBondContact O-N 2.98Å; R43-L68 HydrophobicContact CB-CD1 3.83Å; R43-L68 HydrophobicContact CB-CD2 3.88Å; R43-L68 HydrophobicContact CB-CG 4.17Å; R43-L68 HydrophobicContact CG-CD1 4.22Å; R43-L68 PolarHBondContact NH1-O 2.58Å
44	E	93.7	Very high	91.2	Very high	48 Å²	48	41.3 Å²	41.3	22%	0.224	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-47.5	-179.6	-177.3	63.6	-154.2	0	0	111.3	S40 F42 L47 Q48 R65	S40-E44 PolarHBondContact O-N 3.32Å; F42-E44 PolarHBondContact O-N 2.75Å; E44-L47 PolarHBondContact O-N 3.22Å; E44-Q48 VanDerWaalsContact O-CG 3.32Å; E44-Q48 WeakPolarHBondContact O-CG 2.92Å; E44-Q48 PolarHBondContact O-N 3.48Å; E44-Q48 PolarHBondContact OE1-NE2 2.7Å; E44-R65 IonicContact OE1-CZ 3.28Å; E44-R65 VanDerWaalsContact OE1-CZ 3.28Å; E44-R65 IonicContact OE1-NE 2.78Å; E44-R65 PolarHBondContact OE1-NE 2.94Å; E44-R65 IonicContact OE1-NH2 2.89Å; E44-R65 PolarHBondContact OE1-NH2 2.89Å; E44-R65 IonicContact OE2-NE 3.41Å; E44-R65 PolarHBondContact OE2-NE 3.34Å
45	Q	93.6	Very high	91.1	Very high	98 Å²	98	43.1 Å²	43.1	46%	0.458	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-45.1	179.2	-175	60.9	54.1	0	0	111.9	A41 F42 L47 Q48 D49	A41-Q45 WeakPolarHBondContact O-CB 3.26Å; A41-Q45 PolarHBondContact O-N 2.9Å; A41-Q45 VanDerWaalsContact O-N 3.1Å; F42-Q45 PolarHBondContact O-N 2.9Å; Q45-L47 VanDerWaalsContact C-N 3.3Å; Q45-L47 PolarHBondContact O-N 2.82Å; Q45-Q48 PolarHBondContact O-N 3.4Å; Q45-D49 PolarHBondContact NE2-OD1 3.32Å; Q45-D49 VanDerWaalsContact NE2-OD1 3.13Å; Q45-D49 WeakPolarHBondContact O-CB 3.33Å; Q45-D49 PolarHBondContact O-N 3.41Å
46	Y	94.5	Very high	91.4	Very high	13 Å²	13	39.6 Å²	39.6	5%	0.051	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-39.1	-179.7	-166.5	-82.8	0	0	0	111.6	L30 F42 D49 L50 L100 S104 A114 L117	L30-Y46 HydrophobicContact CD1-CD1 3.83Å; F42-Y46 HydrophobicContact CE2-CD2 4.06Å; F42-Y46 AromaticContact CZ-CD2 3.91Å; F42-Y46 HydrophobicContact CZ-CD2 3.91Å; F42-Y46 HydrophobicContact CZ-CG 4.28Å; F42-Y46 VanDerWaalsContact O-CB 3.23Å; F42-Y46 WeakPolarHBondContact O-CB 3.07Å; F42-Y46 PolarHBondContact O-N 2.85Å; Y46-D49 PolarHBondContact O-N 3.26Å; Y46-L50 WeakPolarHBondContact O-CB 3.34Å; Y46-L50 PolarHBondContact O-N 3.4Å; Y46-L100 HydrophobicContact CE1-CD1 4.11Å; Y46-L100 VanDerWaalsContact OH-CD1 3.25Å; Y46-L100 WeakPolarHBondContact OH-CD1 3.48Å; Y46-S104 WeakPolarHBondContact CE2-OG 3.5Å; Y46-S104 PolarHBondContact OH-OG 3.49Å; Y46-A114 HydrophobicContact CD2-CB 4.28Å; Y46-A114 HydrophobicContact CE2-CB 3.59Å; Y46-L117 HydrophobicContact CD1-CD2 4.04Å; Y46-L117 HydrophobicContact CE1-CD2 3.38Å
47	L	94.4	Very high	91.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-43.3	177.7	-176.7	59.7	0	0	0	112.1	A27 R43 E44 Q45 D49 L50 V51 M61 M64 L68	A27-L47 HydrophobicContact CB-CD1 3.78Å; A27-L47 HydrophobicContact CB-CD2 4.38Å; R43-L47 VanDerWaalsContact O-CB 3.24Å; R43-L47 WeakPolarHBondContact O-CB 3.44Å; R43-L47 PolarHBondContact O-N 2.98Å; E44-L47 PolarHBondContact O-N 3.22Å; Q45-L47 VanDerWaalsContact C-N 3.3Å; Q45-L47 PolarHBondContact O-N 2.82Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 3.47Å; L47-L50 PolarHBondContact O-N 3.48Å; L47-V51 WeakPolarHBondContact O-CG2 3.4Å; L47-V51 PolarHBondContact O-N 3.2Å; L47-M61 HydrophobicContact CG-CE 4.44Å; L47-M64 HydrophobicContact CD1-CB 4.13Å; L47-M64 HydrophobicContact CD2-CB 3.83Å; L47-M64 HydrophobicContact CG-CB 4.19Å; L47-L68 HydrophobicContact CD2-CB 4.12Å; L47-L68 HydrophobicContact CD2-CD1 4.34Å; L47-L68 HydrophobicContact CD2-CD2 3.92Å; L47-L68 HydrophobicContact CD2-CG 4.36Å
48	Q	94.6	Very high	92.1	Very high	64 Å²	64	44.1 Å²	44.1	30%	0.299	24%	0.242	S	C	.	.	H	α-helix	trans	-58.9	-46.4	174.1	-73	174.8	14.8	0	0	111.4	E44 Q45 L50 V51 Q52 M61	E44-Q48 VanDerWaalsContact O-CG 3.32Å; E44-Q48 WeakPolarHBondContact O-CG 2.92Å; E44-Q48 PolarHBondContact O-N 3.48Å; E44-Q48 PolarHBondContact OE1-NE2 2.7Å; Q45-Q48 PolarHBondContact O-N 3.4Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.5Å; Q48-V51 PolarHBondContact O-N 3.47Å; Q48-Q52 WeakPolarHBondContact O-CB 3.35Å; Q48-Q52 PolarHBondContact O-N 3.03Å; Q48-M61 HydrophobicContact CB-CE 4.48Å; Q48-M61 HydrophobicContact CG-CE 3.52Å; Q48-M61 HydrophobicContact CG-SD 4.45Å
49	D	92.5	Very high	92.4	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-61.4	-39.4	177.5	-72.6	-25.2	0	0	0	112	Q45 Y46 L47 C53 L103 K106	Q45-D49 PolarHBondContact NE2-OD1 3.32Å; Q45-D49 VanDerWaalsContact NE2-OD1 3.13Å; Q45-D49 WeakPolarHBondContact O-CB 3.33Å; Q45-D49 PolarHBondContact O-N 3.41Å; Y46-D49 PolarHBondContact O-N 3.26Å; L47-D49 VanDerWaalsContact C-N 3.33Å; L47-D49 PolarHBondContact O-N 3.47Å; D49-C53 VanDerWaalsContact O-CB 3.25Å; D49-C53 WeakPolarHBondContact O-CB 3.5Å; D49-C53 PolarHBondContact O-N 3.07Å; D49-L103 HydrophobicContact CB-CD1 4.1Å; D49-K106 IonicContact OD1-NZ 2.99Å; D49-K106 PolarHBondContact OD1-NZ 2.87Å; D49-K106 IonicContact OD2-NZ 3.48Å; D49-K106 PolarHBondContact OD2-NZ 3.1Å
50	L	93.5	Very high	92.6	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-47.8	177.6	-179.8	64.2	0	0	0	112.1	F22 C26 Y46 L47 Q48 Q52 C53 L54 L100 L103	F22-L50 HydrophobicContact CE1-CD1 4.32Å; C26-L50 HydrophobicContact CB-CD2 3.34Å; Y46-L50 WeakPolarHBondContact O-CB 3.34Å; Y46-L50 PolarHBondContact O-N 3.4Å; L47-L50 PolarHBondContact O-N 3.48Å; Q48-L50 VanDerWaalsContact C-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.5Å; L50-Q52 VanDerWaalsContact C-N 3.28Å; L50-Q52 PolarHBondContact O-N 3.26Å; L50-C53 WeakPolarHBondContact O-CB 3.16Å; L50-C53 PolarHBondContact O-N 3.37Å; L50-C53 VanDerWaalsContact O-N 3.11Å; L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CG 4.26Å; L50-L54 HydrophobicContact CG-CD1 3.96Å; L50-L54 WeakPolarHBondContact O-CG 3.35Å; L50-L54 PolarHBondContact O-N 3.48Å; L50-L100 HydrophobicContact CD1-CD1 3.85Å; L50-L103 HydrophobicContact CB-CD2 4.01Å; L50-L103 HydrophobicContact CD1-CD2 3.89Å
51	V	93.8	Very high	92.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-42.6	177.7	168.2	0	0	0	0	110.5	L47 Q48 L54 G55 L56 V60 M61 M64	L47-V51 WeakPolarHBondContact O-CG2 3.4Å; L47-V51 PolarHBondContact O-N 3.2Å; Q48-V51 PolarHBondContact O-N 3.47Å; V51-L54 PolarHBondContact O-N 2.95Å; V51-G55 PolarHBondContact O-N 3.42Å; V51-G55 VanDerWaalsContact O-N 3.11Å; V51-L56 HydrophobicContact CG1-CB 3.89Å; V51-L56 PolarHBondContact O-N 3.09Å; V51-L56 VanDerWaalsContact O-N 3.14Å; V51-V60 HydrophobicContact CG1-CG2 3.93Å; V51-V60 HydrophobicContact CG2-CG2 4.33Å; V51-M61 HydrophobicContact CB-SD 3.95Å; V51-M61 HydrophobicContact CG1-SD 3.96Å; V51-M61 HydrophobicContact CG2-SD 3.72Å; V51-M64 HydrophobicContact CG2-CG 4.27Å
52	Q	91.8	Very high	92.9	Very high	126 Å²	126	43.9 Å²	43.9	59%	0.589	24%	0.238	S	C	*	.	H	α-helix	trans	-65.9	-39.9	174.7	-170.2	-177.3	23.2	0	0	112.5	R12 Q48 L50 L54 G55	R12-Q52 PolarHBondContact NH2-O 2.89Å; Q48-Q52 WeakPolarHBondContact O-CB 3.35Å; Q48-Q52 PolarHBondContact O-N 3.03Å; L50-Q52 VanDerWaalsContact C-N 3.28Å; L50-Q52 PolarHBondContact O-N 3.26Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-L54 PolarHBondContact O-N 3.29Å; Q52-G55 PolarHBondContact O-N 3.49Å
53	C	89	Confident	93	Very high	18 Å²	18	45.5 Å²	45.5	12%	0.122	25%	0.25	C	S	.	.	H	α-helix	trans	-59.4	-46.3	177	-171	0	0	0	0	110.9	R12 D49 L50 G55 L103	R12-C53 PolarHBondContact NE-O 2.95Å; R12-C53 PolarHBondContact NH2-O 2.97Å; D49-C53 VanDerWaalsContact O-CB 3.25Å; D49-C53 WeakPolarHBondContact O-CB 3.5Å; D49-C53 PolarHBondContact O-N 3.07Å; L50-C53 WeakPolarHBondContact O-CB 3.16Å; L50-C53 PolarHBondContact O-N 3.37Å; L50-C53 VanDerWaalsContact O-N 3.11Å; C53-G55 PolarHBondContact O-N 3.45Å; C53-L103 HydrophobicContact CB-CD1 3.89Å; C53-L103 HydrophobicContact CB-CD2 4.29Å
54	L	90.7	Very high	93	Very high	1 Å²	1	44 Å²	44	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-73.1	-13.7	179.1	-63.5	169.8	0	0	0	113.4	R19 F22 A23 L50 V51 Q52 L56	R19-L54 VanDerWaalsContact CD-O 3.27Å; R19-L54 WeakPolarHBondContact CD-O 3.29Å; R19-L54 PolarHBondContact NH1-O 3.3Å; F22-L54 HydrophobicContact CD1-CD1 3.98Å; F22-L54 HydrophobicContact CD1-CD2 3.9Å; F22-L54 HydrophobicContact CE1-CD2 4.45Å; A23-L54 HydrophobicContact CB-CD1 3.75Å; L50-L54 HydrophobicContact CD1-CD1 4.01Å; L50-L54 HydrophobicContact CD1-CG 4.26Å; L50-L54 HydrophobicContact CG-CD1 3.96Å; L50-L54 WeakPolarHBondContact O-CG 3.35Å; L50-L54 PolarHBondContact O-N 3.48Å; V51-L54 PolarHBondContact O-N 2.95Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-L54 PolarHBondContact O-N 3.29Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L56 HydrophobicContact CB-CD1 4.26Å; L54-L56 HydrophobicContact CB-CG 4.12Å; L54-L56 HydrophobicContact CD1-CD1 4.25Å
55	G	90.9	Very high	93	Very high	40 Å²	40	46.3 Å²	46.3	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	37.4	-177.9	0	0	0	0	0	112.3	R19 V51 Q52 C53	R19-G55 PolarHBondContact NH1-O 3.08Å; V51-G55 PolarHBondContact O-N 3.42Å; V51-G55 VanDerWaalsContact O-N 3.11Å; Q52-G55 PolarHBondContact O-N 3.49Å; C53-G55 PolarHBondContact O-N 3.45Å
56	L	92.6	Very high	93	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.089	24%	0.242	C	C	.	.			trans	-83.8	151.6	170.7	-69.2	171.7	0	0	0	109.9	R19 A23 V51 L54 V60	R19-L56 HydrophobicContact CB-CD2 3.84Å; R19-L56 HydrophobicContact CB-CG 4.31Å; A23-L56 HydrophobicContact CB-CD1 3.71Å; V51-L56 HydrophobicContact CG1-CB 3.89Å; V51-L56 PolarHBondContact O-N 3.09Å; V51-L56 VanDerWaalsContact O-N 3.14Å; L54-L56 VanDerWaalsContact C-N 3.34Å; L54-L56 HydrophobicContact CB-CD1 4.26Å; L54-L56 HydrophobicContact CB-CG 4.12Å; L54-L56 HydrophobicContact CD1-CD1 4.25Å; L56-V60 HydrophobicContact CB-CG2 4.16Å; L56-V60 HydrophobicContact CD1-CG2 4.43Å
57	D	92.2	Very high	92.9	Very high	104 Å²	104	44 Å²	44	56%	0.556	25%	0.246	S	C	*	.			trans	-69.3	149	176.6	-174.5	-99	0	0	0	111.7	S59 V60	D57-S59 PolarHBondContact O-N 3.41Å; D57-S59 VanDerWaalsContact O-N 3.16Å; D57-S59 WeakPolarHBondContact OD1-CB 3.5Å; D57-S59 PolarHBondContact OD1-N 3.26Å; D57-S59 PolarHBondContact OD1-OG 2.87Å; D57-V60 VanDerWaalsContact O-CG2 3.28Å; D57-V60 WeakPolarHBondContact O-CG2 3.41Å; D57-V60 PolarHBondContact O-N 3.04Å
58	Q	90.5	Very high	92.8	Very high	107 Å²	107	44.6 Å²	44.6	50%	0.5	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-65.6	-18.1	-178.7	-70.8	-64.3	-37.3	0	0	113.3	V60 M61	Q58-V60 PolarHBondContact O-N 3.46Å; Q58-M61 VanDerWaalsContact O-CB 3.31Å; Q58-M61 WeakPolarHBondContact O-CB 3.28Å; Q58-M61 WeakPolarHBondContact O-CG 3.22Å; Q58-M61 PolarHBondContact O-N 3.46Å; Q58-M61 VanDerWaalsContact O-N 3.1Å; Q58-M61 VanDerWaalsContact OE1-CG 3.3Å
59	S	92.7	Very high	92.5	Very high	87 Å²	87	46.4 Å²	46.4	61%	0.608	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-60.6	-19.5	173.1	59.1	0	0	0	0	114.1	D57 M61 P62	D57-S59 PolarHBondContact O-N 3.41Å; D57-S59 VanDerWaalsContact O-N 3.16Å; D57-S59 WeakPolarHBondContact OD1-CB 3.5Å; D57-S59 PolarHBondContact OD1-N 3.26Å; D57-S59 PolarHBondContact OD1-OG 2.87Å; S59-M61 VanDerWaalsContact C-N 3.31Å; S59-P62 VanDerWaalsContact O-CD 3.28Å; S59-P62 WeakPolarHBondContact O-CD 3.42Å
60	V	93.9	Very high	92.2	Very high	22 Å²	22	46.9 Å²	46.9	13%	0.133	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-77.6	-18	176.3	-48.5	0	0	0	0	112.6	F20 V51 L56 D57 Q58 V63 M64	F20-V60 HydrophobicContact CD2-CB 4.42Å; F20-V60 HydrophobicContact CD2-CG1 4.19Å; F20-V60 HydrophobicContact CE2-CB 4.25Å; F20-V60 HydrophobicContact CE2-CG1 4.31Å; V51-V60 HydrophobicContact CG1-CG2 3.93Å; V51-V60 HydrophobicContact CG2-CG2 4.33Å; L56-V60 HydrophobicContact CB-CG2 4.16Å; L56-V60 HydrophobicContact CD1-CG2 4.43Å; D57-V60 VanDerWaalsContact O-CG2 3.28Å; D57-V60 WeakPolarHBondContact O-CG2 3.41Å; D57-V60 PolarHBondContact O-N 3.04Å; Q58-V60 PolarHBondContact O-N 3.46Å; V60-V63 WeakPolarHBondContact O-CB 3.39Å; V60-V63 PolarHBondContact O-N 2.86Å; V60-V63 VanDerWaalsContact O-N 3.08Å; V60-M64 HydrophobicContact CB-CE 4.35Å; V60-M64 HydrophobicContact CB-CG 4.49Å; V60-M64 HydrophobicContact CG2-CE 4.25Å; V60-M64 HydrophobicContact CG2-CG 4.04Å; V60-M64 WeakPolarHBondContact O-CG 3.07Å; V60-M64 PolarHBondContact O-N 3.14Å
61	M	94	Very high	91.6	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-57.4	-42.1	-173.7	-74.2	-60.8	-56.1	0	0	114.6	L47 Q48 V51 Q58 S59 V63 M64 R65	L47-M61 HydrophobicContact CG-CE 4.44Å; Q48-M61 HydrophobicContact CB-CE 4.48Å; Q48-M61 HydrophobicContact CG-CE 3.52Å; Q48-M61 HydrophobicContact CG-SD 4.45Å; V51-M61 HydrophobicContact CB-SD 3.95Å; V51-M61 HydrophobicContact CG1-SD 3.96Å; V51-M61 HydrophobicContact CG2-SD 3.72Å; Q58-M61 VanDerWaalsContact O-CB 3.31Å; Q58-M61 WeakPolarHBondContact O-CB 3.28Å; Q58-M61 WeakPolarHBondContact O-CG 3.22Å; Q58-M61 PolarHBondContact O-N 3.46Å; Q58-M61 VanDerWaalsContact O-N 3.1Å; Q58-M61 VanDerWaalsContact OE1-CG 3.3Å; S59-M61 VanDerWaalsContact C-N 3.31Å; M61-V63 VanDerWaalsContact C-N 3.28Å; M61-V63 PolarHBondContact O-N 3.24Å; M61-M64 PolarHBondContact O-N 2.98Å; M61-R65 WeakPolarHBondContact O-CG 3.3Å; M61-R65 PolarHBondContact O-N 3.07Å
62	P	95	Very high	90.6	Very high	82 Å²	82	53.8 Å²	53.8	53%	0.532	33%	0.325	S	S	.	.	H	α-helix	trans	-57.9	-40.1	175.2	-24.6	35.7	0	0	0	112.9	S59 R65 A66	S59-P62 VanDerWaalsContact O-CD 3.28Å; S59-P62 WeakPolarHBondContact O-CD 3.42Å; P62-R65 PolarHBondContact O-N 3.45Å; P62-A66 PolarHBondContact O-N 3.39Å; P62-A66 VanDerWaalsContact O-N 3.08Å
63	V	94.3	Very high	89.6	Confident	63 Å²	63	50.4 Å²	50.4	38%	0.382	32%	0.315	S	S	.	.	H	α-helix	trans	-68.9	-43.6	176.9	-177	0	0	0	0	110.5	F20 V60 M61 R65 A66 F67	F20-V63 HydrophobicContact CZ-CG1 4.04Å; V60-V63 WeakPolarHBondContact O-CB 3.39Å; V60-V63 PolarHBondContact O-N 2.86Å; V60-V63 VanDerWaalsContact O-N 3.08Å; M61-V63 VanDerWaalsContact C-N 3.28Å; M61-V63 PolarHBondContact O-N 3.24Å; V63-R65 VanDerWaalsContact C-N 3.29Å; V63-R65 PolarHBondContact O-N 3.37Å; V63-A66 WeakPolarHBondContact O-CB 3.33Å; V63-A66 PolarHBondContact O-N 3.35Å; V63-A66 VanDerWaalsContact O-N 3.13Å; V63-F67 HydrophobicContact CG1-CD2 4.26Å; V63-F67 HydrophobicContact CG1-CE1 4.37Å; V63-F67 HydrophobicContact CG1-CE2 3.63Å; V63-F67 HydrophobicContact CG1-CZ 3.69Å; V63-F67 PolarHBondContact O-N 3.27Å
64	M	94.8	Very high	88.9	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-36	177.3	-63.2	-63	162.4	0	0	112.2	F20 A23 A24 A27 L47 V51 V60 M61 F67 L68	F20-M64 HydrophobicContact CD1-CE 4.45Å; F20-M64 HydrophobicContact CD2-CE 3.47Å; F20-M64 VanDerWaalsContact CD2-CE 3.47Å; F20-M64 HydrophobicContact CE1-CE 4.37Å; F20-M64 HydrophobicContact CE2-CE 3.39Å; F20-M64 HydrophobicContact CG-CE 4.03Å; F20-M64 HydrophobicContact CZ-CE 3.86Å; A23-M64 HydrophobicContact CB-CE 3.73Å; A23-M64 HydrophobicContact CB-SD 3.86Å; A24-M64 HydrophobicContact CB-CE 4.36Å; A24-M64 HydrophobicContact CB-SD 4.3Å; A27-M64 HydrophobicContact CB-SD 4.45Å; L47-M64 HydrophobicContact CD1-CB 4.13Å; L47-M64 HydrophobicContact CD2-CB 3.83Å; L47-M64 HydrophobicContact CG-CB 4.19Å; V51-M64 HydrophobicContact CG2-CG 4.27Å; V60-M64 HydrophobicContact CB-CE 4.35Å; V60-M64 HydrophobicContact CB-CG 4.49Å; V60-M64 HydrophobicContact CG2-CE 4.25Å; V60-M64 HydrophobicContact CG2-CG 4.04Å; V60-M64 WeakPolarHBondContact O-CG 3.07Å; V60-M64 PolarHBondContact O-N 3.14Å; M61-M64 PolarHBondContact O-N 2.98Å; M64-F67 PolarHBondContact O-N 3.06Å; M64-F67 HydrophobicContact SD-CD2 4.11Å; M64-L68 WeakPolarHBondContact O-CB 3.23Å; M64-L68 PolarHBondContact O-N 3.18Å
65	R	94.4	Very high	88.3	Confident	96 Å²	96	58.9 Å²	58.9	36%	0.362	36%	0.357	S	S	.	.	H	α-helix	trans	-67.2	-38.6	173.1	-73.4	-178.2	-169.3	115	4.3	112.4	E44 M61 P62 V63 F67 L68 S69	E44-R65 IonicContact OE1-CZ 3.28Å; E44-R65 VanDerWaalsContact OE1-CZ 3.28Å; E44-R65 IonicContact OE1-NE 2.78Å; E44-R65 PolarHBondContact OE1-NE 2.94Å; E44-R65 IonicContact OE1-NH2 2.89Å; E44-R65 PolarHBondContact OE1-NH2 2.89Å; E44-R65 IonicContact OE2-NE 3.41Å; E44-R65 PolarHBondContact OE2-NE 3.34Å; M61-R65 WeakPolarHBondContact O-CG 3.3Å; M61-R65 PolarHBondContact O-N 3.07Å; P62-R65 PolarHBondContact O-N 3.45Å; V63-R65 VanDerWaalsContact C-N 3.29Å; V63-R65 PolarHBondContact O-N 3.37Å; R65-F67 VanDerWaalsContact C-N 3.29Å; R65-F67 PolarHBondContact O-N 3.43Å; R65-L68 WeakPolarHBondContact O-CB 3.45Å; R65-L68 PolarHBondContact O-N 3.16Å; R65-S69 PolarHBondContact O-N 2.82Å; R65-S69 PolarHBondContact O-OG 3.34Å; R65-S69 VanDerWaalsContact O-OG 3.14Å
66	A	92.7	Very high	88.1	Confident	32 Å²	32	58 Å²	58	26%	0.264	34%	0.344	S	S	.	.	H	α-helix	trans	-58.7	-44.5	173	0	0	0	0	0	110.8	P62 V63 S69 G70 L71	P62-A66 PolarHBondContact O-N 3.39Å; P62-A66 VanDerWaalsContact O-N 3.08Å; V63-A66 WeakPolarHBondContact O-CB 3.33Å; V63-A66 PolarHBondContact O-N 3.35Å; V63-A66 VanDerWaalsContact O-N 3.13Å; A66-S69 PolarHBondContact O-N 3.02Å; A66-G70 PolarHBondContact O-N 3.22Å; A66-L71 HydrophobicContact CB-CB 4.46Å; A66-L71 HydrophobicContact CB-CD1 3.99Å; A66-L71 WeakPolarHBondContact O-CB 3.07Å; A66-L71 PolarHBondContact O-N 3.08Å; A66-L71 VanDerWaalsContact O-N 3.12Å
67	F	93.4	Very high	87.9	Confident	30 Å²	30	62.8 Å²	62.8	13%	0.132	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-42.9	173.8	-62.9	-28.9	0	0	0	113.2	F20 A24 A27 V28 V63 M64 R65 S69 G70 L71 F79	F20-F67 HydrophobicContact CE1-CE2 4.31Å; F20-F67 HydrophobicContact CZ-CE2 4.15Å; A24-F67 HydrophobicContact CB-CD2 3.67Å; A24-F67 HydrophobicContact CB-CE2 3.54Å; A27-F67 HydrophobicContact CB-CB 3.86Å; V28-F67 HydrophobicContact CG2-CB 3.89Å; V28-F67 HydrophobicContact CG2-CG 4.24Å; V63-F67 HydrophobicContact CG1-CD2 4.26Å; V63-F67 HydrophobicContact CG1-CE1 4.37Å; V63-F67 HydrophobicContact CG1-CE2 3.63Å; V63-F67 HydrophobicContact CG1-CZ 3.69Å; V63-F67 PolarHBondContact O-N 3.27Å; M64-F67 PolarHBondContact O-N 3.06Å; M64-F67 HydrophobicContact SD-CD2 4.11Å; R65-F67 VanDerWaalsContact C-N 3.29Å; R65-F67 PolarHBondContact O-N 3.43Å; F67-S69 PolarHBondContact O-N 3.11Å; F67-G70 PolarHBondContact O-N 3.43Å; F67-L71 VanDerWaalsContact CA-O 3.3Å; F67-L71 WeakPolarHBondContact CA-O 3.43Å; F67-L71 VanDerWaalsContact CD1-O 3.32Å; F67-L71 WeakPolarHBondContact CD1-O 3.33Å; F67-F79 HydrophobicContact CE1-CZ 4.29Å; F67-F79 AromaticContact CE2-CZ 3.95Å; F67-F79 HydrophobicContact CE2-CZ 3.95Å; F67-F79 AromaticContact CZ-CZ 3.76Å; F67-F79 HydrophobicContact CZ-CZ 3.76Å
68	L	91	Very high	87.9	Confident	13 Å²	13	61.9 Å²	61.9	7%	0.068	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-32.3	176.2	-166.1	68.3	0	0	0	113.1	L30 G31 R43 L47 M64 R65 G70	L30-L68 HydrophobicContact CB-CD1 3.58Å; L30-L68 HydrophobicContact CD1-CD1 4.28Å; G31-L68 WeakPolarHBondContact CA-O 3.38Å; R43-L68 HydrophobicContact CB-CD1 3.83Å; R43-L68 HydrophobicContact CB-CD2 3.88Å; R43-L68 HydrophobicContact CB-CG 4.17Å; R43-L68 HydrophobicContact CG-CD1 4.22Å; R43-L68 PolarHBondContact NH1-O 2.58Å; L47-L68 HydrophobicContact CD2-CB 4.12Å; L47-L68 HydrophobicContact CD2-CD1 4.34Å; L47-L68 HydrophobicContact CD2-CD2 3.92Å; L47-L68 HydrophobicContact CD2-CG 4.36Å; M64-L68 WeakPolarHBondContact O-CB 3.23Å; M64-L68 PolarHBondContact O-N 3.18Å; R65-L68 WeakPolarHBondContact O-CB 3.45Å; R65-L68 PolarHBondContact O-N 3.16Å; L68-G70 PolarHBondContact O-N 3.41Å
69	S	89.7	Confident	88	Confident	101 Å²	101	57.8 Å²	57.8	71%	0.706	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.8	175.5	-61.7	0	0	0	0	113.8	R65 A66 F67	R65-S69 PolarHBondContact O-N 2.82Å; R65-S69 PolarHBondContact O-OG 3.34Å; R65-S69 VanDerWaalsContact O-OG 3.14Å; A66-S69 PolarHBondContact O-N 3.02Å; F67-S69 PolarHBondContact O-N 3.11Å
70	G	84.4	Confident	87.9	Confident	38 Å²	38	54.4 Å²	54.4	39%	0.392	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.4	1.9	176.8	0	0	0	0	0	115	A66 F67 L68	A66-G70 PolarHBondContact O-N 3.22Å; F67-G70 PolarHBondContact O-N 3.43Å; L68-G70 PolarHBondContact O-N 3.41Å
71	L	81.9	Confident	87.8	Confident	115 Å²	115	56.8 Å²	56.8	60%	0.602	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	141.8	170	-59.9	169.4	0	0	0	108.7	A66 F67	A66-L71 HydrophobicContact CB-CB 4.46Å; A66-L71 HydrophobicContact CB-CD1 3.99Å; A66-L71 WeakPolarHBondContact O-CB 3.07Å; A66-L71 PolarHBondContact O-N 3.08Å; A66-L71 VanDerWaalsContact O-N 3.12Å; F67-L71 VanDerWaalsContact CA-O 3.3Å; F67-L71 WeakPolarHBondContact CA-O 3.43Å; F67-L71 VanDerWaalsContact CD1-O 3.32Å; F67-L71 WeakPolarHBondContact CD1-O 3.33Å
72	G	72.1	Confident	87.8	Confident	33 Å²	33	59.5 Å²	59.5	34%	0.34	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	18.7	177.5	0	0	0	0	0	116	E74 G75	G72-E74 PolarHBondContact O-N 2.62Å; G72-G75 PolarHBondContact O-N 3.37Å
73	S	71.6	Confident	87.7	Confident	55 Å²	55	55.7 Å²	55.7	39%	0.385	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-56	-34.3	169.8	54	0	0	0	0	112.8	G75 T76	S73-G75 PolarHBondContact O-N 3.11Å; S73-T76 PolarHBondContact O-N 3.33Å; S73-T76 PolarHBondContact O-OG1 3.2Å
74	E	74.1	Confident	87.5	Confident	181 Å²	181	57.3 Å²	57.3	85%	0.846	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-66.2	-18.2	174.4	-60.6	-177.9	171.7	0	0	113	G72 T76	G72-E74 PolarHBondContact O-N 2.62Å; E74-T76 VanDerWaalsContact C-N 3.32Å; E74-T76 PolarHBondContact O-N 3.22Å
75	G	78	Confident	87.3	Confident	16 Å²	16	61.2 Å²	61.2	17%	0.165	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-82.2	-4.4	-179.4	0	0	0	0	0	114.8	G72 S73 D77 T78 F79	G72-G75 PolarHBondContact O-N 3.37Å; S73-G75 PolarHBondContact O-N 3.11Å; G75-D77 VanDerWaalsContact C-N 3.31Å; G75-D77 PolarHBondContact O-N 3.45Å; G75-T78 WeakPolarHBondContact O-CB 3.25Å; G75-T78 PolarHBondContact O-N 2.94Å; G75-T78 VanDerWaalsContact O-N 3.08Å; G75-F79 WeakPolarHBondContact O-CD2 3.3Å; G75-F79 WeakPolarHBondContact O-CG 3.46Å; G75-F79 PolarHBondContact O-N 3.14Å
76	T	86.7	Confident	87.2	Confident	22 Å²	22	57 Å²	57	14%	0.135	35%	0.35	C	S	.	.	H	α-helix	trans	-53.1	-46.9	-177.1	-57.1	0	0	0	0	112.1	L25 S73 E74 T78 F79 L80	L25-T76 HydrophobicContact CD1-CG2 3.82Å; S73-T76 PolarHBondContact O-N 3.33Å; S73-T76 PolarHBondContact O-OG1 3.2Å; E74-T76 VanDerWaalsContact C-N 3.32Å; E74-T76 PolarHBondContact O-N 3.22Å; T76-T78 VanDerWaalsContact C-N 3.33Å; T76-T78 PolarHBondContact O-N 3.48Å; T76-F79 PolarHBondContact O-N 3.39Å; T76-L80 HydrophobicContact CG2-CD1 4.13Å; T76-L80 WeakPolarHBondContact O-CG 3.43Å; T76-L80 PolarHBondContact O-N 3.11Å
77	D	88.4	Confident	87	Confident	118 Å²	118	60.2 Å²	60.2	63%	0.631	37%	0.368	S	S	*	.	H	α-helix	trans	-66.4	-35.2	-179.4	-68.3	-32.6	0	0	0	112.4	G75 L80 S81	G75-D77 VanDerWaalsContact C-N 3.31Å; G75-D77 PolarHBondContact O-N 3.45Å; D77-L80 PolarHBondContact O-N 2.95Å; D77-S81 WeakPolarHBondContact O-CB 3.3Å; D77-S81 PolarHBondContact O-N 3.41Å; D77-S81 PolarHBondContact O-OG 3.45Å
78	T	91.4	Very high	86.6	Confident	85 Å²	85	61.8 Å²	61.8	52%	0.521	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-46	174.6	-53.4	0	0	0	0	110.8	G75 T76 L80 S81 I82	G75-T78 WeakPolarHBondContact O-CB 3.25Å; G75-T78 PolarHBondContact O-N 2.94Å; G75-T78 VanDerWaalsContact O-N 3.08Å; T76-T78 VanDerWaalsContact C-N 3.33Å; T76-T78 PolarHBondContact O-N 3.48Å; T78-L80 VanDerWaalsContact C-N 3.33Å; T78-L80 PolarHBondContact O-N 3.11Å; T78-S81 PolarHBondContact O-N 3.24Å; T78-I82 HydrophobicContact CG2-CD1 4.21Å; T78-I82 WeakPolarHBondContact O-CG1 3.42Å; T78-I82 PolarHBondContact O-N 2.84Å
79	F	92.9	Very high	86.3	Confident	20 Å²	20	61.8 Å²	61.8	9%	0.088	38%	0.378	C	S	.	.	H	α-helix	trans	-62.2	-41.7	176.4	-58.6	-44.1	0	0	0	111.6	A21 A24 L25 V28 F67 G75 T76 S81 I82 L83	A21-F79 HydrophobicContact CB-CB 4.28Å; A21-F79 HydrophobicContact CB-CD1 4.21Å; A24-F79 HydrophobicContact CB-CD1 4Å; A24-F79 HydrophobicContact CB-CD2 4.05Å; A24-F79 HydrophobicContact CB-CE1 3.69Å; A24-F79 HydrophobicContact CB-CE2 3.75Å; A24-F79 HydrophobicContact CB-CG 4.19Å; A24-F79 HydrophobicContact CB-CZ 3.56Å; L25-F79 HydrophobicContact CB-CB 4.38Å; V28-F79 HydrophobicContact CG2-CE2 4.25Å; F67-F79 HydrophobicContact CE1-CZ 4.29Å; F67-F79 AromaticContact CE2-CZ 3.95Å; F67-F79 HydrophobicContact CE2-CZ 3.95Å; F67-F79 AromaticContact CZ-CZ 3.76Å; F67-F79 HydrophobicContact CZ-CZ 3.76Å; G75-F79 WeakPolarHBondContact O-CD2 3.3Å; G75-F79 WeakPolarHBondContact O-CG 3.46Å; G75-F79 PolarHBondContact O-N 3.14Å; T76-F79 PolarHBondContact O-N 3.39Å; F79-S81 VanDerWaalsContact C-N 3.34Å; F79-S81 PolarHBondContact O-N 2.83Å; F79-I82 PolarHBondContact O-N 3.37Å; F79-L83 VanDerWaalsContact O-CG 3.25Å; F79-L83 WeakPolarHBondContact O-CG 3.19Å; F79-L83 PolarHBondContact O-N 2.87Å
80	L	91.9	Very high	86	Confident	17 Å²	17	60.4 Å²	60.4	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-63	-40.6	175.7	-70.8	172.3	0	0	0	112.1	L25 T76 D77 T78 L83 Q84 L124 L125	L25-L80 HydrophobicContact CD1-CD2 4.19Å; L25-L80 HydrophobicContact CD1-CG 4.26Å; L25-L80 HydrophobicContact CD2-CD2 3.8Å; T76-L80 HydrophobicContact CG2-CD1 4.13Å; T76-L80 WeakPolarHBondContact O-CG 3.43Å; T76-L80 PolarHBondContact O-N 3.11Å; D77-L80 PolarHBondContact O-N 2.95Å; T78-L80 VanDerWaalsContact C-N 3.33Å; T78-L80 PolarHBondContact O-N 3.11Å; L80-L83 PolarHBondContact O-N 3.23Å; L80-Q84 WeakPolarHBondContact O-CB 3.32Å; L80-Q84 VanDerWaalsContact O-CG 3.24Å; L80-Q84 WeakPolarHBondContact O-CG 3.34Å; L80-Q84 PolarHBondContact O-N 3.42Å; L80-L124 HydrophobicContact CD2-CB 4.04Å; L80-L125 HydrophobicContact CD2-CD2 3.82Å
81	S	92.2	Very high	85.9	Confident	71 Å²	71	63.1 Å²	63.1	50%	0.497	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-42.6	177.6	-58.9	0	0	0	0	111.8	D77 T78 F79 Q84 A85	D77-S81 WeakPolarHBondContact O-CB 3.3Å; D77-S81 PolarHBondContact O-N 3.41Å; D77-S81 PolarHBondContact O-OG 3.45Å; T78-S81 PolarHBondContact O-N 3.24Å; F79-S81 VanDerWaalsContact C-N 3.34Å; F79-S81 PolarHBondContact O-N 2.83Å; S81-Q84 PolarHBondContact O-N 3.48Å; S81-A85 PolarHBondContact O-N 3.23Å; S81-A85 VanDerWaalsContact O-N 3.1Å
82	I	93.1	Very high	85.9	Confident	62 Å²	62	59.2 Å²	59.2	32%	0.318	38%	0.379	S	S	.	.	H	α-helix	trans	-61.4	-45.6	174.6	-66.3	164.3	0	0	0	110.4	Q17 A21 T78 F79 A85 D86	Q17-I82 HydrophobicContact CB-CG2 4.44Å; A21-I82 HydrophobicContact CB-CB 4.02Å; A21-I82 HydrophobicContact CB-CD1 4.4Å; A21-I82 HydrophobicContact CB-CG2 3.77Å; T78-I82 HydrophobicContact CG2-CD1 4.21Å; T78-I82 WeakPolarHBondContact O-CG1 3.42Å; T78-I82 PolarHBondContact O-N 2.84Å; F79-I82 PolarHBondContact O-N 3.37Å; I82-A85 PolarHBondContact O-N 3.17Å; I82-D86 PolarHBondContact O-N 2.69Å
83	L	92.3	Very high	86.5	Confident	1 Å²	1	58 Å²	58	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-43.9	178.9	-70.3	169.4	0	0	0	111.6	S18 A21 F22 L25 F79 L80 A85 D86 V89 L125	S18-L83 VanDerWaalsContact O-CD2 3.31Å; S18-L83 WeakPolarHBondContact O-CD2 3.34Å; A21-L83 HydrophobicContact CB-CD2 4.29Å; A21-L83 HydrophobicContact CB-CG 4.12Å; F22-L83 HydrophobicContact CB-CD1 4.49Å; F22-L83 HydrophobicContact CB-CD2 3.85Å; F22-L83 HydrophobicContact CD2-CD1 4.25Å; F22-L83 HydrophobicContact CD2-CD2 4.5Å; L25-L83 HydrophobicContact CD2-CD1 3.75Å; F79-L83 VanDerWaalsContact O-CG 3.25Å; F79-L83 WeakPolarHBondContact O-CG 3.19Å; F79-L83 PolarHBondContact O-N 2.87Å; L80-L83 PolarHBondContact O-N 3.23Å; L83-A85 PolarHBondContact O-N 3.27Å; L83-D86 VanDerWaalsContact O-CB 3.3Å; L83-D86 WeakPolarHBondContact O-CB 3.15Å; L83-D86 PolarHBondContact O-N 3.25Å; L83-V89 HydrophobicContact CB-CG1 4.39Å; L83-V89 HydrophobicContact CB-CG2 4.46Å; L83-V89 HydrophobicContact CD2-CG2 4.47Å; L83-V89 WeakPolarHBondContact O-CB 3.18Å; L83-V89 WeakPolarHBondContact O-CG1 3.33Å; L83-V89 WeakPolarHBondContact O-CG2 3.34Å; L83-L125 HydrophobicContact CD1-CD2 4.15Å
84	Q	90.8	Very high	87	Confident	97 Å²	97	56.7 Å²	56.7	45%	0.453	36%	0.356	S	S	.	.	H	α-helix	trans	-65.3	-25.2	179	-73.8	172.3	6.4	0	0	113.3	L80 S81 D86	L80-Q84 WeakPolarHBondContact O-CB 3.32Å; L80-Q84 VanDerWaalsContact O-CG 3.24Å; L80-Q84 WeakPolarHBondContact O-CG 3.34Å; L80-Q84 PolarHBondContact O-N 3.42Å; S81-Q84 PolarHBondContact O-N 3.48Å; Q84-D86 VanDerWaalsContact C-N 3.28Å
85	A	91.4	Very high	87.4	Confident	82 Å²	82	50.3 Å²	50.3	68%	0.678	33%	0.33	S	S	*	.	H	α-helix	trans	-74.7	-17.1	173.5	0	0	0	0	0	113.1	S81 I82 L83	S81-A85 PolarHBondContact O-N 3.23Å; S81-A85 VanDerWaalsContact O-N 3.1Å; I82-A85 PolarHBondContact O-N 3.17Å; L83-A85 PolarHBondContact O-N 3.27Å
86	D	92.3	Very high	87.8	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.037	32%	0.323	C	S	.	.	S	Bend	trans	-74.1	126.2	177.7	-164.8	-66	0	0	0	111	L14 T15 S18 I82 L83 Q84 L88 V89 A90	L14-D86 HydrophobicContact CD2-CB 4.35Å; T15-D86 PolarHBondContact N-OD2 3.28Å; S18-D86 WeakPolarHBondContact CB-OD2 3.1Å; S18-D86 WeakPolarHBondContact OG-CB 3.21Å; S18-D86 PolarHBondContact OG-OD2 3.21Å; I82-D86 PolarHBondContact O-N 2.69Å; L83-D86 VanDerWaalsContact O-CB 3.3Å; L83-D86 WeakPolarHBondContact O-CB 3.15Å; L83-D86 PolarHBondContact O-N 3.25Å; Q84-D86 VanDerWaalsContact C-N 3.28Å; D86-L88 PolarHBondContact O-N 3.13Å; D86-L88 VanDerWaalsContact O-N 3.11Å; D86-L88 WeakPolarHBondContact OD1-CB 3.29Å; D86-L88 PolarHBondContact OD1-N 3.07Å; D86-V89 HydrophobicContact CB-CB 4.31Å; D86-V89 HydrophobicContact CB-CG2 3.93Å; D86-V89 PolarHBondContact O-N 2.87Å; D86-V89 VanDerWaalsContact O-N 3.09Å; D86-A90 WeakPolarHBondContact O-CB 3.4Å; D86-A90 PolarHBondContact O-N 3.18Å
87	P	87.2	Confident	87.8	Confident	100 Å²	100	48.6 Å²	48.6	65%	0.649	32%	0.316	S	S	*	.	H	α-helix	trans	-55.1	-32.6	-179.2	-26.5	34.4	0	0	0	114.3	A91	P87-A91 WeakPolarHBondContact O-CB 3.42Å; P87-A91 PolarHBondContact O-N 3.31Å; P87-A91 VanDerWaalsContact O-N 3.15Å
88	L	84.5	Confident	87.4	Confident	63 Å²	63	45.4 Å²	45.4	33%	0.33	30%	0.297	S	S	.	.	H	α-helix	trans	-72.6	-37.8	-179.7	-66.5	175.4	0	0	0	112.2	Q13 L14 D86	Q13-L88 HydrophobicContact CB-CD1 3.64Å; L14-L88 HydrophobicContact CD2-CB 4.05Å; L14-L88 HydrophobicContact CD2-CD1 4.18Å; D86-L88 PolarHBondContact O-N 3.13Å; D86-L88 VanDerWaalsContact O-N 3.11Å; D86-L88 WeakPolarHBondContact OD1-CB 3.29Å; D86-L88 PolarHBondContact OD1-N 3.07Å
89	V	85.9	Confident	87.1	Confident	13 Å²	13	42.3 Å²	42.3	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-75.7	-40.7	177.7	-178.4	0	0	0	0	110	L14 L83 D86 A91 G92 A93 I96	L14-V89 HydrophobicContact CD2-CG2 3.88Å; L83-V89 HydrophobicContact CB-CG1 4.39Å; L83-V89 HydrophobicContact CB-CG2 4.46Å; L83-V89 HydrophobicContact CD2-CG2 4.47Å; L83-V89 WeakPolarHBondContact O-CB 3.18Å; L83-V89 WeakPolarHBondContact O-CG1 3.33Å; L83-V89 WeakPolarHBondContact O-CG2 3.34Å; D86-V89 HydrophobicContact CB-CB 4.31Å; D86-V89 HydrophobicContact CB-CG2 3.93Å; D86-V89 PolarHBondContact O-N 2.87Å; D86-V89 VanDerWaalsContact O-N 3.09Å; V89-A91 VanDerWaalsContact C-N 3.27Å; V89-A91 PolarHBondContact O-N 3.35Å; V89-G92 CarbonylContact O-C 3.35Å; V89-G92 WeakPolarHBondContact O-CA 3.17Å; V89-G92 PolarHBondContact O-N 3.4Å; V89-A93 HydrophobicContact CG1-CB 4.15Å; V89-A93 PolarHBondContact O-N 3.2Å; V89-I96 HydrophobicContact CB-CD1 4.33Å; V89-I96 HydrophobicContact CG2-CD1 3.37Å
90	A	83.4	Confident	86.8	Confident	72 Å²	72	41.5 Å²	41.5	60%	0.595	27%	0.274	S	S	*	.	H	α-helix	trans	-61.6	-34.8	178.7	0	0	0	0	0	112.5	D86 G92	D86-A90 WeakPolarHBondContact O-CB 3.4Å; D86-A90 PolarHBondContact O-N 3.18Å; A90-G92 PolarHBondContact O-N 3.01Å
91	A	81	Confident	86.5	Confident	96 Å²	96	40.9 Å²	40.9	79%	0.793	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.5	172.9	0	0	0	0	0	113.5	P87 V89	P87-A91 WeakPolarHBondContact O-CB 3.42Å; P87-A91 PolarHBondContact O-N 3.31Å; P87-A91 VanDerWaalsContact O-N 3.15Å; V89-A91 VanDerWaalsContact C-N 3.27Å; V89-A91 PolarHBondContact O-N 3.35Å
92	G	81.9	Confident	86	Confident	32 Å²	32	39.3 Å²	39.3	33%	0.33	26%	0.26	S	S	.	.			trans	141.4	123.1	177.4	0	0	0	0	0	111.7	V89 A90 T94 P95	V89-G92 CarbonylContact O-C 3.35Å; V89-G92 WeakPolarHBondContact O-CA 3.17Å; V89-G92 PolarHBondContact O-N 3.4Å; A90-G92 PolarHBondContact O-N 3.01Å; G92-T94 PolarHBondContact O-N 3.36Å; G92-P95 WeakPolarHBondContact O-CD 3.32Å
93	A	84.8	Confident	85.7	Confident	7 Å²	7	37.1 Å²	37.1	6%	0.058	25%	0.249	C	C	.	.	S	Bend	trans	-75.4	-2.9	-176.3	0	0	0	0	0	115.1	V89 P95 I96 I97 L125 V127	V89-A93 HydrophobicContact CG1-CB 4.15Å; V89-A93 PolarHBondContact O-N 3.2Å; A93-P95 VanDerWaalsContact C-CD 3.49Å; A93-I96 PolarHBondContact O-N 2.72Å; A93-I97 PolarHBondContact O-N 3.41Å; A93-L125 HydrophobicContact CB-CB 3.77Å; A93-L125 HydrophobicContact CB-CD1 4.03Å; A93-L125 HydrophobicContact CB-CG 4.43Å; A93-V127 HydrophobicContact CB-CG2 3.69Å
94	T	83.5	Confident	85.5	Confident	29 Å²	29	37.8 Å²	37.8	18%	0.178	25%	0.254	C	S	.	.	H	α-helix	trans	-54.5	-44.2	-177.3	-51.6	0	0	0	0	114.4	G92 I96 I97 Q98 L135	G92-T94 PolarHBondContact O-N 3.36Å; T94-I96 VanDerWaalsContact C-N 3.3Å; T94-I96 PolarHBondContact O-N 2.97Å; T94-I97 PolarHBondContact O-N 2.91Å; T94-Q98 WeakPolarHBondContact O-CG 3.39Å; T94-Q98 PolarHBondContact O-N 3.05Å; T94-L135 HydrophobicContact CG2-CD1 3.36Å
95	P	82.3	Confident	85.1	Confident	46 Å²	46	33.4 Å²	33.4	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-34	179.8	-22.8	35.9	0	0	0	113.4	T10 G92 A93 Q98 D99	T10-P95 HydrophobicContact CG2-CB 3.8Å; G92-P95 WeakPolarHBondContact O-CD 3.32Å; A93-P95 VanDerWaalsContact C-CD 3.49Å; P95-Q98 WeakPolarHBondContact O-CB 3.28Å; P95-Q98 PolarHBondContact O-N 3.42Å; P95-D99 PolarHBondContact O-N 3.35Å; P95-D99 VanDerWaalsContact O-N 3.15Å
96	I	85.3	Confident	84.2	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-71.7	-37.8	179.1	-60.8	163.6	0	0	0	110.1	L14 F22 V89 A93 T94 Q98 D99 L100	L14-I96 HydrophobicContact CD1-CD1 4.02Å; L14-I96 HydrophobicContact CD1-CG1 4.33Å; L14-I96 HydrophobicContact CD2-CD1 3.91Å; L14-I96 HydrophobicContact CG-CD1 4.39Å; F22-I96 HydrophobicContact CD1-CG2 4.16Å; F22-I96 HydrophobicContact CD2-CG2 4.01Å; F22-I96 HydrophobicContact CE1-CG2 3.72Å; F22-I96 HydrophobicContact CE2-CG2 3.57Å; F22-I96 HydrophobicContact CG-CG2 4.3Å; F22-I96 HydrophobicContact CZ-CG2 3.42Å; F22-I96 VanDerWaalsContact CZ-CG2 3.42Å; V89-I96 HydrophobicContact CB-CD1 4.33Å; V89-I96 HydrophobicContact CG2-CD1 3.37Å; A93-I96 PolarHBondContact O-N 2.72Å; T94-I96 VanDerWaalsContact C-N 3.3Å; T94-I96 PolarHBondContact O-N 2.97Å; I96-Q98 VanDerWaalsContact C-N 3.34Å; I96-D99 PolarHBondContact O-N 3.28Å; I96-L100 PolarHBondContact O-N 2.88Å
97	I	86.5	Confident	83.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.6	-37.3	172.8	-58.8	-59.7	0	0	0	111.6	A93 T94 D99 L100 V101 I118 V121 S122 L125 V127 L132	A93-I97 PolarHBondContact O-N 3.41Å; T94-I97 PolarHBondContact O-N 2.91Å; I97-D99 VanDerWaalsContact C-N 3.29Å; I97-D99 PolarHBondContact O-N 2.95Å; I97-L100 WeakPolarHBondContact O-CB 3.48Å; I97-L100 PolarHBondContact O-N 2.78Å; I97-L100 VanDerWaalsContact O-N 3.11Å; I97-V101 HydrophobicContact CG2-CG2 4.49Å; I97-V101 WeakPolarHBondContact O-CG2 3.43Å; I97-V101 PolarHBondContact O-N 3Å; I97-I118 HydrophobicContact CG2-CG2 3.76Å; I97-V121 HydrophobicContact CD1-CG1 4Å; I97-S122 WeakPolarHBondContact CG2-OG 3.42Å; I97-L125 HydrophobicContact CD1-CD1 4.1Å; I97-V127 HydrophobicContact CG1-CG2 4.25Å; I97-L132 HydrophobicContact CB-CD2 3.98Å; I97-L132 HydrophobicContact CG2-CD2 3.27Å
98	Q	81.5	Confident	82.4	Confident	50 Å²	50	32.3 Å²	32.3	23%	0.234	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-40.8	175.3	-72	169.1	-3.6	0	0	111.8	T94 P95 I96 L100 V101 S102 L135 I139	T94-Q98 WeakPolarHBondContact O-CG 3.39Å; T94-Q98 PolarHBondContact O-N 3.05Å; P95-Q98 WeakPolarHBondContact O-CB 3.28Å; P95-Q98 PolarHBondContact O-N 3.42Å; I96-Q98 VanDerWaalsContact C-N 3.34Å; Q98-L100 VanDerWaalsContact C-N 3.3Å; Q98-L100 PolarHBondContact O-N 3.42Å; Q98-V101 PolarHBondContact O-N 2.9Å; Q98-S102 PolarHBondContact O-N 3.24Å; Q98-L135 HydrophobicContact CG-CB 4.29Å; Q98-L135 VanDerWaalsContact NE2-CB 3.34Å; Q98-I139 HydrophobicContact CB-CD1 4.23Å
99	D	84	Confident	82.2	Confident	20 Å²	20	33.7 Å²	33.7	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-39.8	174.4	-71.4	-18.4	0	0	0	111.8	I9 T10 S11 P95 I96 I97 V101 S102 L103	I9-D99 HydrophobicContact CG2-CB 4.31Å; I9-D99 WeakPolarHBondContact CG2-OD2 3.28Å; T10-D99 WeakPolarHBondContact CA-OD2 3.37Å; T10-D99 PolarHBondContact N-OD1 2.85Å; T10-D99 PolarHBondContact N-OD2 3.48Å; S11-D99 VanDerWaalsContact CB-OD2 3.27Å; S11-D99 WeakPolarHBondContact CB-OD2 3Å; S11-D99 PolarHBondContact N-OD2 2.73Å; S11-D99 PolarHBondContact OG-OD2 2.98Å; P95-D99 PolarHBondContact O-N 3.35Å; P95-D99 VanDerWaalsContact O-N 3.15Å; I96-D99 PolarHBondContact O-N 3.28Å; I97-D99 VanDerWaalsContact C-N 3.29Å; I97-D99 PolarHBondContact O-N 2.95Å; D99-V101 VanDerWaalsContact C-N 3.33Å; D99-V101 PolarHBondContact O-N 3.15Å; D99-S102 PolarHBondContact O-N 2.96Å; D99-L103 WeakPolarHBondContact O-CB 3.48Å; D99-L103 PolarHBondContact O-N 3.3Å
100	L	87.9	Confident	82.2	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-64.6	-37.4	176.4	-167.6	65.4	0	0	0	111.8	F22 Y46 L50 I96 I97 Q98 L103 S104 I118	F22-L100 HydrophobicContact CZ-CD2 4.47Å; Y46-L100 HydrophobicContact CE1-CD1 4.11Å; Y46-L100 VanDerWaalsContact OH-CD1 3.25Å; Y46-L100 WeakPolarHBondContact OH-CD1 3.48Å; L50-L100 HydrophobicContact CD1-CD1 3.85Å; I96-L100 PolarHBondContact O-N 2.88Å; I97-L100 WeakPolarHBondContact O-CB 3.48Å; I97-L100 PolarHBondContact O-N 2.78Å; I97-L100 VanDerWaalsContact O-N 3.11Å; Q98-L100 VanDerWaalsContact C-N 3.3Å; Q98-L100 PolarHBondContact O-N 3.42Å; L100-L103 HydrophobicContact CD1-CD2 4.37Å; L100-S104 WeakPolarHBondContact O-CB 3.33Å; L100-S104 PolarHBondContact O-N 3.36Å; L100-S104 VanDerWaalsContact O-N 3.07Å; L100-S104 PolarHBondContact O-OG 3.13Å; L100-I118 HydrophobicContact CB-CG1 4.32Å; L100-I118 HydrophobicContact CD2-CB 4.4Å; L100-I118 HydrophobicContact CD2-CG1 3.6Å; L100-I118 HydrophobicContact CG-CD1 4.44Å; L100-I118 HydrophobicContact CG-CG1 3.69Å
101	V	84.8	Confident	82.6	Confident	4 Å²	4	32 Å²	32	2%	0.024	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-45.1	172.2	-179.1	0	0	0	0	110.7	I97 Q98 D99 L103 S104 V105 I118 V136 L247	I97-V101 HydrophobicContact CG2-CG2 4.49Å; I97-V101 WeakPolarHBondContact O-CG2 3.43Å; I97-V101 PolarHBondContact O-N 3Å; Q98-V101 PolarHBondContact O-N 2.9Å; D99-V101 VanDerWaalsContact C-N 3.33Å; D99-V101 PolarHBondContact O-N 3.15Å; V101-L103 VanDerWaalsContact C-N 3.28Å; V101-L103 PolarHBondContact O-N 3.13Å; V101-S104 PolarHBondContact O-N 2.88Å; V101-V105 HydrophobicContact CG1-CG2 4.08Å; V101-V105 VanDerWaalsContact O-CG2 3.27Å; V101-V105 WeakPolarHBondContact O-CG2 3.48Å; V101-V105 PolarHBondContact O-N 3.39Å; V101-I118 HydrophobicContact CB-CD1 4.37Å; V101-I118 HydrophobicContact CG2-CD1 3.85Å; V101-I118 HydrophobicContact CG2-CG1 4.44Å; V101-I118 HydrophobicContact CG2-CG2 3.93Å; V101-V136 HydrophobicContact CB-CG2 3.97Å; V101-V136 HydrophobicContact CG1-CB 4.23Å; V101-V136 HydrophobicContact CG1-CG1 3.64Å; V101-V136 HydrophobicContact CG1-CG2 3.63Å; V101-V136 HydrophobicContact CG2-CG2 3.69Å; V101-L247 HydrophobicContact CG1-CD1 3.98Å
102	S	82.2	Confident	83.1	Confident	38 Å²	38	27.4 Å²	27.4	27%	0.266	16%	0.157	S	C	.	.	H	α-helix	trans	-59.2	-39.9	177.4	-173.8	0	0	0	0	111.9	Q98 D99 S104 V105 K106	Q98-S102 PolarHBondContact O-N 3.24Å; D99-S102 PolarHBondContact O-N 2.96Å; S102-S104 VanDerWaalsContact C-N 3.33Å; S102-V105 PolarHBondContact O-N 2.93Å; S102-K106 PolarHBondContact O-N 3.34Å
103	L	86.4	Confident	83.7	Confident	17 Å²	17	27.1 Å²	27.1	9%	0.089	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-45.3	173.2	-179.5	66.7	0	0	0	111	D49 L50 C53 D99 L100 V101 V105 K106	D49-L103 HydrophobicContact CB-CD1 4.1Å; L50-L103 HydrophobicContact CB-CD2 4.01Å; L50-L103 HydrophobicContact CD1-CD2 3.89Å; C53-L103 HydrophobicContact CB-CD1 3.89Å; C53-L103 HydrophobicContact CB-CD2 4.29Å; D99-L103 WeakPolarHBondContact O-CB 3.48Å; D99-L103 PolarHBondContact O-N 3.3Å; L100-L103 HydrophobicContact CD1-CD2 4.37Å; V101-L103 VanDerWaalsContact C-N 3.28Å; V101-L103 PolarHBondContact O-N 3.13Å; L103-V105 PolarHBondContact O-N 3.37Å; L103-K106 HydrophobicContact CD1-CD 4.3Å; L103-K106 WeakPolarHBondContact O-CD 3.29Å; L103-K106 VanDerWaalsContact O-CG 3.27Å; L103-K106 WeakPolarHBondContact O-CG 3.42Å; L103-K106 PolarHBondContact O-N 3.08Å
104	S	88.1	Confident	84.1	Confident	15 Å²	15	26.9 Å²	26.9	11%	0.105	14%	0.144	C	C	.	.	H	α-helix	trans	-73	-13.9	-175.5	-55.5	0	0	0	0	114.3	Y46 L100 V101 S102 I118	Y46-S104 WeakPolarHBondContact CE2-OG 3.5Å; Y46-S104 PolarHBondContact OH-OG 3.49Å; L100-S104 WeakPolarHBondContact O-CB 3.33Å; L100-S104 PolarHBondContact O-N 3.36Å; L100-S104 VanDerWaalsContact O-N 3.07Å; L100-S104 PolarHBondContact O-OG 3.13Å; V101-S104 PolarHBondContact O-N 2.88Å; S102-S104 VanDerWaalsContact C-N 3.33Å; S104-I118 WeakPolarHBondContact OG-CD1 3.25Å
105	V	82.3	Confident	84.4	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.024	14%	0.142	C	C	.	.	H	α-helix	trans	-114	-0.5	-177	-174.8	0	0	0	0	111.9	V101 S102 L103 D107 G108 Q109 Y110 L213 F214 L247	V101-V105 HydrophobicContact CG1-CG2 4.08Å; V101-V105 VanDerWaalsContact O-CG2 3.27Å; V101-V105 WeakPolarHBondContact O-CG2 3.48Å; V101-V105 PolarHBondContact O-N 3.39Å; S102-V105 PolarHBondContact O-N 2.93Å; L103-V105 PolarHBondContact O-N 3.37Å; V105-D107 PolarHBondContact O-N 3.47Å; V105-G108 PolarHBondContact O-N 3.39Å; V105-Q109 WeakPolarHBondContact CA-O 3.38Å; V105-Y110 HydrophobicContact CG2-CD1 4.42Å; V105-Y110 HydrophobicContact CG2-CD2 3.71Å; V105-Y110 HydrophobicContact CG2-CE2 4.15Å; V105-Y110 HydrophobicContact CG2-CG 3.87Å; V105-L213 HydrophobicContact CG1-CD1 3.85Å; V105-L213 HydrophobicContact CG1-CD2 4.16Å; V105-L213 HydrophobicContact CG1-CG 4.48Å; V105-F214 HydrophobicContact CG1-CZ 4.43Å; V105-L247 HydrophobicContact CG2-CD1 3.67Å
106	K	73.3	Confident	85	Confident	62 Å²	62	25.8 Å²	25.8	27%	0.27	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33.6	-169.9	71.6	-177.4	174.5	175.6	0	114.6	D49 S102 L103 E143	D49-K106 IonicContact OD1-NZ 2.99Å; D49-K106 PolarHBondContact OD1-NZ 2.87Å; D49-K106 IonicContact OD2-NZ 3.48Å; D49-K106 PolarHBondContact OD2-NZ 3.1Å; S102-K106 PolarHBondContact O-N 3.34Å; L103-K106 HydrophobicContact CD1-CD 4.3Å; L103-K106 WeakPolarHBondContact O-CD 3.29Å; L103-K106 VanDerWaalsContact O-CG 3.27Å; L103-K106 WeakPolarHBondContact O-CG 3.42Å; L103-K106 PolarHBondContact O-N 3.08Å; K106-E143 VanDerWaalsContact O-CD 3.22Å; K106-E143 WeakPolarHBondContact O-CG 3.38Å
107	D	70.5	Confident	85.4	Confident	93 Å²	93	25.6 Å²	25.6	50%	0.497	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	13.2	-175.9	-58.1	-50	0	0	0	113.3	V105 Q109	V105-D107 PolarHBondContact O-N 3.47Å; D107-Q109 HydrophobicContact CB-CG 4.38Å; D107-Q109 PolarHBondContact O-N 3.19Å
108	G	70.1	Confident	85.7	Confident	11 Å²	11	25.9 Å²	25.9	11%	0.113	13%	0.133	C	C	.	.	S	Bend	trans	68.8	19.4	-173.4	0	0	0	0	0	113.5	V105 F214	V105-G108 PolarHBondContact O-N 3.39Å; G108-F214 WeakPolarHBondContact O-CD1 3.26Å
109	Q	80.3	Confident	86	Confident	92 Å²	92	27.8 Å²	27.8	43%	0.43	14%	0.138	S	C	.	.			trans	-122.6	143.6	173.6	-37.4	-168.4	20.3	0	0	107.5	V105 D107 K365	V105-Q109 WeakPolarHBondContact CA-O 3.38Å; D107-Q109 HydrophobicContact CB-CG 4.38Å; D107-Q109 PolarHBondContact O-N 3.19Å; Q109-K365 HydrophobicContact CB-CB 3.98Å; Q109-K365 HydrophobicContact CB-CD 3.99Å; Q109-K365 HydrophobicContact CG-CB 4.34Å; Q109-K365 HydrophobicContact CG-CD 3.52Å
110	Y	85.9	Confident	86.4	Confident	11 Å²	11	29.5 Å²	29.5	4%	0.043	15%	0.146	C	C	.	.			trans	-131.7	103.6	174.2	-170.6	-151.5	0	0	0	108.7	V105 R115 I118 L247 K365 P367	V105-Y110 HydrophobicContact CG2-CD1 4.42Å; V105-Y110 HydrophobicContact CG2-CD2 3.71Å; V105-Y110 HydrophobicContact CG2-CE2 4.15Å; V105-Y110 HydrophobicContact CG2-CG 3.87Å; Y110-R115 HydrophobicContact CE1-CB 4.17Å; Y110-R115 HydrophobicContact CE1-CG 4.22Å; Y110-R115 HydrophobicContact CE2-CB 3.95Å; Y110-R115 WeakPolarHBondContact OH-CG 3.44Å; Y110-I118 HydrophobicContact CE2-CD1 4.05Å; Y110-L247 HydrophobicContact CD1-CB 3.72Å; Y110-L247 HydrophobicContact CD1-CD1 3.8Å; Y110-L247 HydrophobicContact CD1-CG 4.31Å; Y110-L247 HydrophobicContact CE1-CB 3.66Å; Y110-L247 HydrophobicContact CE1-CD1 3.63Å; Y110-L247 HydrophobicContact CE1-CG 4.32Å; Y110-L247 HydrophobicContact CG-CD1 4.48Å; Y110-K365 PolarHBondContact N-O 3.47Å; Y110-P367 VanDerWaalsContact CD1-CD 3.49Å; Y110-P367 HydrophobicContact CD1-CG 3.8Å; Y110-P367 HydrophobicContact CE1-CG 4.26Å; Y110-P367 HydrophobicContact CG-CG 4.09Å; Y110-P367 WeakPolarHBondContact O-CD 3.49Å; Y110-P367 VanDerWaalsContact O-CG 3.3Å; Y110-P367 WeakPolarHBondContact O-CG 3.44Å
111	D	91.3	Very high	86.6	Confident	39 Å²	39	29.4 Å²	29.4	21%	0.209	15%	0.145	C	C	.	.			trans	-75.9	137.6	-177.2	-167.2	-65.2	0	0	0	110.6	F42 R113 A114 R115 G395	F42-D111 HydrophobicContact CE2-CB 4.11Å; D111-R113 PolarHBondContact O-N 3.23Å; D111-R113 VanDerWaalsContact OD1-CB 3.24Å; D111-R113 WeakPolarHBondContact OD1-CB 3.31Å; D111-R113 WeakPolarHBondContact OD1-CG 3.37Å; D111-R113 IonicContact OD1-CZ 3.26Å; D111-R113 PolarHBondContact OD1-N 2.81Å; D111-R113 IonicContact OD1-NE 3.51Å; D111-R113 PolarHBondContact OD1-NE 2.68Å; D111-R113 IonicContact OD1-NH2 2.73Å; D111-R113 IonicContact OD2-CZ 3.87Å; D111-R113 IonicContact OD2-NE 3.01Å; D111-R113 PolarHBondContact OD2-NE 3Å; D111-R113 IonicContact OD2-NH2 3.14Å; D111-R113 PolarHBondContact OD2-NH2 3.33Å; D111-A114 HydrophobicContact CB-CB 4.27Å; D111-A114 PolarHBondContact O-N 2.93Å; D111-R115 PolarHBondContact O-N 2.75Å; D111-R115 VanDerWaalsContact O-N 3.1Å; D111-G395 VanDerWaalsContact OD1-CA 3.25Å; D111-G395 WeakPolarHBondContact OD1-CA 3.28Å
112	A	92.5	Very high	86.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-35.3	178.3	0	0	0	0	0	112.8	R115 V116 P367 G395 I397 E398 A422	A112-R115 PolarHBondContact O-N 3.03Å; A112-V116 WeakPolarHBondContact O-CG2 3.36Å; A112-V116 PolarHBondContact O-N 3.42Å; A112-P367 HydrophobicContact CB-CB 3.86Å; A112-P367 HydrophobicContact CB-CG 4.38Å; A112-G395 WeakPolarHBondContact CB-O 3.47Å; A112-G395 PolarHBondContact N-O 3.35Å; A112-I397 WeakPolarHBondContact CB-O 3.44Å; A112-E398 HydrophobicContact CB-CB 4.15Å; A112-A422 HydrophobicContact CB-CB 3.84Å
113	R	94.4	Very high	87.2	Confident	25 Å²	25	31.4 Å²	31.4	9%	0.094	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-41.6	178.7	-61.9	169.8	-70.3	-168.8	-1.9	111.9	F34 N39 F42 D111 R115 V116 L117 A422	F34-R113 HydrophobicContact CD1-CB 4.37Å; F34-R113 HydrophobicContact CD1-CG 4.07Å; F34-R113 HydrophobicContact CD2-CB 4.48Å; F34-R113 HydrophobicContact CE1-CB 3.77Å; F34-R113 HydrophobicContact CE1-CG 3.64Å; F34-R113 HydrophobicContact CE2-CB 3.89Å; F34-R113 WeakPolarHBondContact CE2-O 3.1Å; F34-R113 HydrophobicContact CZ-CB 3.51Å; F34-R113 HydrophobicContact CZ-CG 3.95Å; F34-R113 WeakPolarHBondContact CZ-O 3.48Å; N39-R113 WeakPolarHBondContact OD1-CD 3.27Å; N39-R113 PolarHBondContact OD1-NH1 2.71Å; F42-R113 HydrophobicContact CD1-CB 4.08Å; F42-R113 HydrophobicContact CE1-CB 3.46Å; F42-R113 VanDerWaalsContact CE1-CB 3.46Å; F42-R113 HydrophobicContact CE1-CG 4.45Å; F42-R113 HydrophobicContact CE2-CB 4.35Å; F42-R113 VanDerWaalsContact CG-CZ 3.46Å; F42-R113 HydrophobicContact CZ-CB 3.63Å; D111-R113 PolarHBondContact O-N 3.23Å; D111-R113 VanDerWaalsContact OD1-CB 3.24Å; D111-R113 WeakPolarHBondContact OD1-CB 3.31Å; D111-R113 WeakPolarHBondContact OD1-CG 3.37Å; D111-R113 IonicContact OD1-CZ 3.26Å; D111-R113 PolarHBondContact OD1-N 2.81Å; D111-R113 IonicContact OD1-NE 3.51Å; D111-R113 PolarHBondContact OD1-NE 2.68Å; D111-R113 IonicContact OD1-NH2 2.73Å; D111-R113 IonicContact OD2-CZ 3.87Å; D111-R113 IonicContact OD2-NE 3.01Å; D111-R113 PolarHBondContact OD2-NE 3Å; D111-R113 IonicContact OD2-NH2 3.14Å; D111-R113 PolarHBondContact OD2-NH2 3.33Å; R113-R115 VanDerWaalsContact C-N 3.29Å; R113-R115 PolarHBondContact O-N 3.4Å; R113-V116 PolarHBondContact O-N 3.25Å; R113-L117 PolarHBondContact O-N 2.84Å; R113-A422 HydrophobicContact CB-CB 4.32Å; R113-A422 HydrophobicContact CG-CB 3.63Å
114	A	93.2	Very high	87.4	Confident	2 Å²	2	32.9 Å²	32.9	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-41.6	174.2	0	0	0	0	0	110.9	F42 Y46 D111 L117 I118	F42-A114 HydrophobicContact CE2-CB 4.49Å; F42-A114 HydrophobicContact CZ-CB 4.1Å; Y46-A114 HydrophobicContact CD2-CB 4.28Å; Y46-A114 HydrophobicContact CE2-CB 3.59Å; D111-A114 HydrophobicContact CB-CB 4.27Å; D111-A114 PolarHBondContact O-N 2.93Å; A114-L117 WeakPolarHBondContact O-CB 3.46Å; A114-L117 PolarHBondContact O-N 3.19Å; A114-I118 WeakPolarHBondContact O-CD1 3.17Å; A114-I118 VanDerWaalsContact O-CG1 3.26Å; A114-I118 WeakPolarHBondContact O-CG1 3.26Å; A114-I118 PolarHBondContact O-N 2.79Å
115	R	90.7	Very high	87.5	Confident	35 Å²	35	33 Å²	33	13%	0.132	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-41.3	176.2	-179.7	160.8	178.9	-28.4	25.4	112.7	Y110 D111 A112 R113 I118 R119 P367 E398	Y110-R115 HydrophobicContact CE1-CB 4.17Å; Y110-R115 HydrophobicContact CE1-CG 4.22Å; Y110-R115 HydrophobicContact CE2-CB 3.95Å; Y110-R115 WeakPolarHBondContact OH-CG 3.44Å; D111-R115 PolarHBondContact O-N 2.75Å; D111-R115 VanDerWaalsContact O-N 3.1Å; A112-R115 PolarHBondContact O-N 3.03Å; R113-R115 VanDerWaalsContact C-N 3.29Å; R113-R115 PolarHBondContact O-N 3.4Å; R115-I118 PolarHBondContact O-N 2.92Å; R115-R119 WeakPolarHBondContact O-CG 3.46Å; R115-R119 PolarHBondContact O-N 2.59Å; R115-P367 HydrophobicContact CB-CG 4.12Å; R115-E398 WeakPolarHBondContact CD-OE2 3.39Å; R115-E398 IonicContact CZ-OE1 3.47Å; R115-E398 IonicContact CZ-OE2 3.89Å; R115-E398 VanDerWaalsContact CZ-OE2 3.26Å; R115-E398 IonicContact NE-OE1 2.76Å; R115-E398 IonicContact NE-OE2 3.92Å; R115-E398 PolarHBondContact NE-OE2 3.37Å; R115-E398 VanDerWaalsContact NE-OE2 3.14Å; R115-E398 IonicContact NH1-OE1 2.68Å; R115-E398 PolarHBondContact NH1-OE1 2.96Å; R115-E398 IonicContact NH1-OE2 3.61Å; R115-E398 IonicContact NH2-OE1 3.88Å; R115-E398 IonicContact NH2-OE2 3.75Å
116	V	93.1	Very high	87.7	Confident	17 Å²	17	43.1 Å²	43.1	10%	0.103	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-43.9	174.9	169.7	0	0	0	0	111.1	L33 F34 A112 R113 I118 R119 H120 E398 A422	L33-V116 HydrophobicContact CD1-CG1 4.38Å; F34-V116 HydrophobicContact CZ-CB 4.07Å; F34-V116 HydrophobicContact CZ-CG1 4.04Å; A112-V116 WeakPolarHBondContact O-CG2 3.36Å; A112-V116 PolarHBondContact O-N 3.42Å; R113-V116 PolarHBondContact O-N 3.25Å; V116-I118 PolarHBondContact O-N 2.92Å; V116-R119 PolarHBondContact O-N 3.48Å; V116-H120 WeakPolarHBondContact O-CB 2.96Å; V116-H120 PolarHBondContact O-N 2.71Å; V116-E398 HydrophobicContact CG2-CG 3.95Å; V116-A422 HydrophobicContact CG2-CB 4Å
117	L	94.6	Very high	88.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.6	-49.2	173.1	177.2	71.4	0	0	0	111.3	L30 L33 Y46 R113 A114 R119 H120 V121	L30-L117 HydrophobicContact CD1-CD2 4.19Å; L30-L117 HydrophobicContact CD2-CD1 4.18Å; L30-L117 HydrophobicContact CD2-CD2 3.76Å; L30-L117 HydrophobicContact CD2-CG 4.36Å; L30-L117 HydrophobicContact CG-CD1 3.89Å; L30-L117 HydrophobicContact CG-CD2 3.78Å; L30-L117 HydrophobicContact CG-CG 4.41Å; L33-L117 HydrophobicContact CD1-CD1 4.29Å; Y46-L117 HydrophobicContact CD1-CD2 4.04Å; Y46-L117 HydrophobicContact CE1-CD2 3.38Å; R113-L117 PolarHBondContact O-N 2.84Å; A114-L117 WeakPolarHBondContact O-CB 3.46Å; A114-L117 PolarHBondContact O-N 3.19Å; L117-R119 VanDerWaalsContact C-N 3.32Å; L117-R119 PolarHBondContact O-N 2.94Å; L117-H120 WeakPolarHBondContact O-CB 3.46Å; L117-H120 PolarHBondContact O-N 3.03Å; L117-H120 VanDerWaalsContact O-N 3.13Å; L117-V121 HydrophobicContact CD1-CG2 4Å; L117-V121 HydrophobicContact CG-CG2 4.3Å; L117-V121 WeakPolarHBondContact O-CG2 3.4Å; L117-V121 PolarHBondContact O-N 3.06Å
118	I	91.8	Very high	88	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-46.7	178.9	-73.3	157.7	0	0	0	110.7	I97 L100 V101 S104 Y110 A114 R115 V116 H120 S122	I97-I118 HydrophobicContact CG2-CG2 3.76Å; L100-I118 HydrophobicContact CB-CG1 4.32Å; L100-I118 HydrophobicContact CD2-CB 4.4Å; L100-I118 HydrophobicContact CD2-CG1 3.6Å; L100-I118 HydrophobicContact CG-CD1 4.44Å; L100-I118 HydrophobicContact CG-CG1 3.69Å; V101-I118 HydrophobicContact CB-CD1 4.37Å; V101-I118 HydrophobicContact CG2-CD1 3.85Å; V101-I118 HydrophobicContact CG2-CG1 4.44Å; V101-I118 HydrophobicContact CG2-CG2 3.93Å; S104-I118 WeakPolarHBondContact OG-CD1 3.25Å; Y110-I118 HydrophobicContact CE2-CD1 4.05Å; A114-I118 WeakPolarHBondContact O-CD1 3.17Å; A114-I118 VanDerWaalsContact O-CG1 3.26Å; A114-I118 WeakPolarHBondContact O-CG1 3.26Å; A114-I118 PolarHBondContact O-N 2.79Å; R115-I118 PolarHBondContact O-N 2.92Å; V116-I118 PolarHBondContact O-N 2.92Å; I118-H120 VanDerWaalsContact C-N 3.33Å; I118-H120 PolarHBondContact O-N 3.07Å; I118-S122 VanDerWaalsContact O-CB 3.22Å; I118-S122 WeakPolarHBondContact O-CB 3.44Å; I118-S122 PolarHBondContact O-N 3.47Å; I118-S122 PolarHBondContact O-OG 3.15Å
119	R	89.2	Confident	87.7	Confident	90 Å²	90	40 Å²	40	34%	0.34	19%	0.193	S	C	.	.	H	α-helix	trans	-60.2	-44.8	176.8	-68.4	179.9	80.5	73.3	-3.2	111.5	R115 V116 L117 S122 C123 E398	R115-R119 WeakPolarHBondContact O-CG 3.46Å; R115-R119 PolarHBondContact O-N 2.59Å; V116-R119 PolarHBondContact O-N 3.48Å; L117-R119 VanDerWaalsContact C-N 3.32Å; L117-R119 PolarHBondContact O-N 2.94Å; R119-S122 WeakPolarHBondContact O-CB 3.35Å; R119-S122 PolarHBondContact O-N 3.31Å; R119-C123 PolarHBondContact O-N 3.21Å; R119-C123 PolarHBondContact O-SG 3.45Å; R119-E398 WeakPolarHBondContact CD-OE1 3.46Å
120	H	91.9	Very high	86.5	Confident	57 Å²	57	41.9 Å²	41.9	26%	0.264	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-53.3	-178.7	-178.1	80.2	0	0	0	111.2	S29 L33 V116 L117 I118 S122 C123 L124	S29-H120 PolarHBondContact OG-CD2 3.34Å; L33-H120 HydrophobicContact CD1-CB 3.82Å; V116-H120 WeakPolarHBondContact O-CB 2.96Å; V116-H120 PolarHBondContact O-N 2.71Å; L117-H120 WeakPolarHBondContact O-CB 3.46Å; L117-H120 PolarHBondContact O-N 3.03Å; L117-H120 VanDerWaalsContact O-N 3.13Å; I118-H120 VanDerWaalsContact C-N 3.33Å; I118-H120 PolarHBondContact O-N 3.07Å; H120-S122 VanDerWaalsContact C-N 3.28Å; H120-S122 PolarHBondContact O-N 3.45Å; H120-C123 WeakPolarHBondContact O-CB 3.27Å; H120-C123 PolarHBondContact O-N 3Å; H120-C123 VanDerWaalsContact O-N 3.07Å; H120-L124 WeakPolarHBondContact O-CG 3.49Å; H120-L124 PolarHBondContact O-N 3.13Å
121	V	92.4	Very high	84.8	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-36.7	177.8	176.7	0	0	0	0	111.4	F22 L25 I97 L117 C123 L124 L125	F22-V121 HydrophobicContact CE2-CG1 3.98Å; L25-V121 HydrophobicContact CD2-CG1 4.23Å; I97-V121 HydrophobicContact CD1-CG1 4Å; L117-V121 HydrophobicContact CD1-CG2 4Å; L117-V121 HydrophobicContact CG-CG2 4.3Å; L117-V121 WeakPolarHBondContact O-CG2 3.4Å; L117-V121 PolarHBondContact O-N 3.06Å; V121-C123 VanDerWaalsContact C-N 3.33Å; V121-C123 PolarHBondContact O-N 3.04Å; V121-L124 PolarHBondContact O-N 3.41Å; V121-L125 HydrophobicContact CG1-CD1 4.01Å; V121-L125 HydrophobicContact CG1-CG 4.43Å; V121-L125 WeakPolarHBondContact O-CG 3.27Å; V121-L125 PolarHBondContact O-N 3.07Å
122	S	90.3	Very high	83.1	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-42	173.9	-60.2	0	0	0	0	112.2	I97 I118 R119 H120 L125 R126 V127 L132	I97-S122 WeakPolarHBondContact CG2-OG 3.42Å; I118-S122 VanDerWaalsContact O-CB 3.22Å; I118-S122 WeakPolarHBondContact O-CB 3.44Å; I118-S122 PolarHBondContact O-N 3.47Å; I118-S122 PolarHBondContact O-OG 3.15Å; R119-S122 WeakPolarHBondContact O-CB 3.35Å; R119-S122 PolarHBondContact O-N 3.31Å; H120-S122 VanDerWaalsContact C-N 3.28Å; H120-S122 PolarHBondContact O-N 3.45Å; S122-L125 CarbonylContact O-C 3.56Å; S122-L125 PolarHBondContact O-N 3.46Å; S122-R126 PolarHBondContact O-N 3.49Å; S122-V127 PolarHBondContact O-N 3.13Å; S122-L132 VanDerWaalsContact OG-CD1 3.3Å; S122-L132 WeakPolarHBondContact OG-CD1 3.37Å
123	C	89.6	Confident	81	Confident	83 Å²	83	47.2 Å²	47.2	56%	0.561	23%	0.229	S	C	*	.	H	α-helix	trans	-64.2	-42.8	176.1	-65.6	0	0	0	0	111.1	R119 H120 V121 L125 R126	R119-C123 PolarHBondContact O-N 3.21Å; R119-C123 PolarHBondContact O-SG 3.45Å; H120-C123 WeakPolarHBondContact O-CB 3.27Å; H120-C123 PolarHBondContact O-N 3Å; H120-C123 VanDerWaalsContact O-N 3.07Å; V121-C123 VanDerWaalsContact C-N 3.33Å; V121-C123 PolarHBondContact O-N 3.04Å; C123-L125 VanDerWaalsContact C-N 3.3Å; C123-L125 PolarHBondContact O-N 3.46Å; C123-R126 PolarHBondContact O-N 3.34Å; C123-R126 VanDerWaalsContact O-N 3.08Å
124	L	90.8	Very high	78.7	Confident	49 Å²	49	46.9 Å²	46.9	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-38.3	176.2	-64.5	178.8	0	0	0	112.2	L25 L80 H120 V121 R126	L25-L124 HydrophobicContact CD1-CD1 3.93Å; L25-L124 HydrophobicContact CG-CD1 4.47Å; L80-L124 HydrophobicContact CD2-CB 4.04Å; H120-L124 WeakPolarHBondContact O-CG 3.49Å; H120-L124 PolarHBondContact O-N 3.13Å; V121-L124 PolarHBondContact O-N 3.41Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 3.48Å
125	L	89.1	Confident	76.5	Confident	18 Å²	18	49.5 Å²	49.5	9%	0.094	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	10.4	176.4	-62.6	178.7	0	0	0	113.8	F22 L25 L80 L83 A93 I97 V121 S122 C123 V127	F22-L125 HydrophobicContact CE2-CD1 4.1Å; L25-L125 HydrophobicContact CD2-CD2 4.45Å; L80-L125 HydrophobicContact CD2-CD2 3.82Å; L83-L125 HydrophobicContact CD1-CD2 4.15Å; A93-L125 HydrophobicContact CB-CB 3.77Å; A93-L125 HydrophobicContact CB-CD1 4.03Å; A93-L125 HydrophobicContact CB-CG 4.43Å; I97-L125 HydrophobicContact CD1-CD1 4.1Å; V121-L125 HydrophobicContact CG1-CD1 4.01Å; V121-L125 HydrophobicContact CG1-CG 4.43Å; V121-L125 WeakPolarHBondContact O-CG 3.27Å; V121-L125 PolarHBondContact O-N 3.07Å; S122-L125 CarbonylContact O-C 3.56Å; S122-L125 PolarHBondContact O-N 3.46Å; C123-L125 VanDerWaalsContact C-N 3.3Å; C123-L125 PolarHBondContact O-N 3.46Å; L125-V127 HydrophobicContact CB-CG2 4.39Å; L125-V127 PolarHBondContact O-N 3.46Å
126	R	86.5	Confident	74.4	Confident	216 Å²	216	48.7 Å²	48.7	82%	0.815	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	30.8	177.9	-55.6	-178.1	175.8	175.8	-0.3	114.4	S122 C123 L124	S122-R126 PolarHBondContact O-N 3.49Å; C123-R126 PolarHBondContact O-N 3.34Å; C123-R126 VanDerWaalsContact O-N 3.08Å; L124-R126 VanDerWaalsContact C-N 3.27Å; L124-R126 PolarHBondContact O-N 3.48Å
127	V	81.2	Confident	72	Confident	9 Å²	9	48 Å²	48	6%	0.055	24%	0.239	C	C	.	.			trans	-86.1	124.4	172.3	-178.2	0	0	0	0	109	A93 I97 S122 L125 L132	A93-V127 HydrophobicContact CB-CG2 3.69Å; I97-V127 HydrophobicContact CG1-CG2 4.25Å; S122-V127 PolarHBondContact O-N 3.13Å; L125-V127 HydrophobicContact CB-CG2 4.39Å; L125-V127 PolarHBondContact O-N 3.46Å; V127-L132 HydrophobicContact CG1-CD2 4.02Å; V127-L132 HydrophobicContact CG1-CG 4.16Å
128	S	69.2	Low	69.5	Low	36 Å²	36	51.9 Å²	51.9	25%	0.252	26%	0.259	S	S	.	.			trans	-66.9	138.4	-178.4	71.3	0	0	0	0	111.5	Q130 Q131	S128-Q130 PolarHBondContact O-N 2.95Å; S128-Q131 PolarHBondContact O-N 2.67Å; S128-Q131 VanDerWaalsContact O-N 3.08Å; S128-Q131 WeakPolarHBondContact OG-CB 3.48Å; S128-Q131 WeakPolarHBondContact OG-CG 3.48Å; S128-Q131 PolarHBondContact OG-OE1 2.97Å
129	P	63	Low	67.4	Low	55 Å²	55	53.1 Å²	53.1	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-59.8	-29.1	177.7	-25.1	34.2	0	0	0	113.9	Q131 L132	P129-Q131 VanDerWaalsContact C-N 3.28Å; P129-Q131 PolarHBondContact O-N 3Å; P129-L132 PolarHBondContact O-N 3.35Å
130	Q	55.4	Low	65.2	Low	131 Å²	131	52.7 Å²	52.7	61%	0.612	27%	0.274	S	S	*	.	H	α-helix	trans	-67.3	-28.6	177.2	-61.7	99	-15.3	0	0	112.4	S128 P134	S128-Q130 PolarHBondContact O-N 2.95Å; Q130-P134 VanDerWaalsContact O-CD 3.23Å; Q130-P134 WeakPolarHBondContact O-CD 3.42Å
131	Q	51.2	Low	63.1	Low	100 Å²	100	50.3 Å²	50.3	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-79	-19.3	179.3	-73.9	166.9	-32.6	0	0	113.7	S128 P129 L135	S128-Q131 PolarHBondContact O-N 2.67Å; S128-Q131 VanDerWaalsContact O-N 3.08Å; S128-Q131 WeakPolarHBondContact OG-CB 3.48Å; S128-Q131 WeakPolarHBondContact OG-CG 3.48Å; S128-Q131 PolarHBondContact OG-OE1 2.97Å; P129-Q131 VanDerWaalsContact C-N 3.28Å; P129-Q131 PolarHBondContact O-N 3Å; Q131-L135 VanDerWaalsContact O-CD1 3.26Å; Q131-L135 WeakPolarHBondContact O-CD1 3.28Å
132	L	54.1	Low	60.7	Low	21 Å²	21	61.1 Å²	61.1	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-78.4	-33.7	-178.4	-67.4	166.3	0	0	0	112.7	I97 S122 V127 P129 V136	I97-L132 HydrophobicContact CB-CD2 3.98Å; I97-L132 HydrophobicContact CG2-CD2 3.27Å; S122-L132 VanDerWaalsContact OG-CD1 3.3Å; S122-L132 WeakPolarHBondContact OG-CD1 3.37Å; V127-L132 HydrophobicContact CG1-CD2 4.02Å; V127-L132 HydrophobicContact CG1-CG 4.16Å; P129-L132 PolarHBondContact O-N 3.35Å; L132-V136 WeakPolarHBondContact O-CB 3.46Å; L132-V136 WeakPolarHBondContact O-CG2 3.41Å
133	T	49.4	Very low	58.6	Low	41 Å²	41	64 Å²	64	25%	0.252	32%	0.318	S	S	.	.	H	α-helix	trans	-67.4	-41.7	-172.2	-50.2	0	0	0	0	114
134	P	47.1	Very low	56.5	Low	18 Å²	18	61.5 Å²	61.5	12%	0.117	30%	0.298	C	S	.	.	H	α-helix	trans	-75.5	-36.2	-178	-15.4	30	0	0	0	113.9	Q130 G197	Q130-P134 VanDerWaalsContact O-CD 3.23Å; Q130-P134 WeakPolarHBondContact O-CD 3.42Å; P134-G197 WeakPolarHBondContact CG-O 3.49Å
135	L	45.3	Very low	54.4	Low	57 Å²	57	61.9 Å²	61.9	30%	0.298	30%	0.304	S	S	.	.	H	α-helix	trans	-76.1	-28.3	-170.7	-67.7	167.5	0	0	0	112.7	T94 Q98 Q131 C137 L138	T94-L135 HydrophobicContact CG2-CD1 3.36Å; Q98-L135 HydrophobicContact CG-CB 4.29Å; Q98-L135 VanDerWaalsContact NE2-CB 3.34Å; Q131-L135 VanDerWaalsContact O-CD1 3.26Å; Q131-L135 WeakPolarHBondContact O-CD1 3.28Å; L135-C137 VanDerWaalsContact C-N 3.29Å; L135-C137 PolarHBondContact O-N 3.46Å; L135-L138 PolarHBondContact O-N 2.79Å; L135-L138 VanDerWaalsContact O-N 3.17Å
136	V	46.6	Very low	52.4	Low	18 Å²	18	64 Å²	64	11%	0.109	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-68.3	-27.1	180	162.8	0	0	0	0	113	V101 L132 L138 L247	V101-V136 HydrophobicContact CB-CG2 3.97Å; V101-V136 HydrophobicContact CG1-CB 4.23Å; V101-V136 HydrophobicContact CG1-CG1 3.64Å; V101-V136 HydrophobicContact CG1-CG2 3.63Å; V101-V136 HydrophobicContact CG2-CG2 3.69Å; L132-V136 WeakPolarHBondContact O-CB 3.46Å; L132-V136 WeakPolarHBondContact O-CG2 3.41Å; V136-L138 VanDerWaalsContact C-N 3.31Å; V136-L247 HydrophobicContact CB-CD1 4.49Å; V136-L247 HydrophobicContact CG1-CB 4.27Å; V136-L247 HydrophobicContact CG1-CD1 2.99Å; V136-L247 HydrophobicContact CG1-CG 3.45Å; V136-L247 VanDerWaalsContact CG1-CG 3.45Å
137	C	43.9	Very low	50.8	Low	3 Å²	3	58.7 Å²	58.7	2%	0.02	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-81.3	-8.7	174.6	-69.1	0	0	0	0	113.8	L135 L201 I209	L135-C137 VanDerWaalsContact C-N 3.29Å; L135-C137 PolarHBondContact O-N 3.46Å; C137-L201 HydrophobicContact CB-CD2 3.88Å; C137-L201 WeakPolarHBondContact SG-CD2 3.46Å; C137-I209 VanDerWaalsContact O-CD1 3.3Å; C137-I209 WeakPolarHBondContact O-CD1 3.47Å
138	L	42.4	Very low	49.6	Very low	82 Å²	82	65.6 Å²	65.6	43%	0.429	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-99.5	0.8	-179.6	-68.9	169.8	0	0	0	113.2	L135 V136 P140 A200	L135-L138 PolarHBondContact O-N 2.79Å; L135-L138 VanDerWaalsContact O-N 3.17Å; V136-L138 VanDerWaalsContact C-N 3.31Å; L138-P140 WeakPolarHBondContact O-CD 3.44Å; L138-A200 HydrophobicContact CD1-CB 4.44Å
139	I	47.4	Very low	49	Very low	31 Å²	31	71.9 Å²	71.9	16%	0.159	34%	0.344	C	S	.	.			trans	-84.2	105	-177.6	-54.7	177.7	0	0	0	109.1	Q98 T141	Q98-I139 HydrophobicContact CB-CD1 4.23Å; I139-T141 PolarHBondContact O-N 2.98Å
140	P	43.4	Very low	48.8	Very low	80 Å²	80	79 Å²	79	52%	0.519	36%	0.364	S	S	.	.			trans	-71.1	114.4	166.3	29.6	-34.3	0	0	0	109.1	L138 E144	L138-P140 WeakPolarHBondContact O-CD 3.44Å; P140-E144 WeakPolarHBondContact CA-OE2 3.42Å
141	T	47.5	Very low	49	Very low	8 Å²	8	80.8 Å²	80.8	5%	0.049	37%	0.365	C	S	.	.			trans	-77.1	153.6	-179.2	62.5	0	0	0	0	111	I139 E143 E144 S145 L213	I139-T141 PolarHBondContact O-N 2.98Å; T141-E143 PolarHBondContact O-N 2.85Å; T141-E144 WeakPolarHBondContact O-CA 3.39Å; T141-E144 WeakPolarHBondContact O-CB 3.41Å; T141-E144 PolarHBondContact O-N 3.21Å; T141-E144 PolarHBondContact OG1-N 3.37Å; T141-S145 PolarHBondContact O-N 2.89Å; T141-L213 HydrophobicContact CG2-CD2 3.79Å; T141-L213 WeakPolarHBondContact OG1-CD2 3.08Å
142	R	41.7	Very low	49.5	Very low	227 Å²	227	79.7 Å²	79.7	86%	0.857	36%	0.36	S	S	*	.	H	α-helix	trans	-57.2	-32.7	177.4	-168.9	175.9	176.9	-174.4	-1.1	112.2	S145 S146	R142-S145 PolarHBondContact O-N 2.81Å; R142-S145 PolarHBondContact O-OG 3.3Å; R142-S146 PolarHBondContact O-N 3.32Å
143	E	46.3	Very low	50.1	Low	62 Å²	62	87.5 Å²	87.5	29%	0.29	39%	0.388	S	S	.	.	H	α-helix	trans	-66.5	-33.4	171.3	-72.9	-149.3	142.8	0	0	113.6	K106 T141 S145 S146 R147	K106-E143 VanDerWaalsContact O-CD 3.22Å; K106-E143 WeakPolarHBondContact O-CG 3.38Å; T141-E143 PolarHBondContact O-N 2.85Å; E143-S145 VanDerWaalsContact C-N 3.35Å; E143-S146 PolarHBondContact O-N 2.89Å; E143-S146 PolarHBondContact O-OG 2.8Å; E143-R147 VanDerWaalsContact O-CB 3.29Å; E143-R147 WeakPolarHBondContact O-CB 3.39Å; E143-R147 VanDerWaalsContact O-CG 3.28Å; E143-R147 WeakPolarHBondContact O-CG 3.28Å; E143-R147 PolarHBondContact O-N 2.85Å; E143-R147 IonicContact OE1-NH2 2.68Å; E143-R147 IonicContact OE2-CZ 2.7Å; E143-R147 VanDerWaalsContact OE2-CZ 3.31Å; E143-R147 IonicContact OE2-NE 3.81Å; E143-R147 IonicContact OE2-NH2 3.73Å; E143-R147 PolarHBondContact OE2-NH2 3.38Å
144	E	45.7	Very low	50.9	Low	30 Å²	30	87.5 Å²	87.5	14%	0.14	40%	0.396	C	S	.	.	H	α-helix	trans	-60.9	-45.6	173.3	-171.3	-172.4	153.4	0	0	110.6	P140 T141 S146 R147 R148	P140-E144 WeakPolarHBondContact CA-OE2 3.42Å; T141-E144 WeakPolarHBondContact O-CA 3.39Å; T141-E144 WeakPolarHBondContact O-CB 3.41Å; T141-E144 PolarHBondContact O-N 3.21Å; T141-E144 PolarHBondContact OG1-N 3.37Å; E144-S146 VanDerWaalsContact C-N 3.3Å; E144-S146 PolarHBondContact O-N 3.45Å; E144-R147 PolarHBondContact O-N 2.9Å; E144-R148 WeakPolarHBondContact O-CA 3.44Å; E144-R148 WeakPolarHBondContact O-CB 3.5Å; E144-R148 PolarHBondContact O-N 2.83Å
145	S	46.2	Very low	51.9	Low	56 Å²	56	96 Å²	96	39%	0.392	43%	0.425	S	S	.	.	H	α-helix	trans	-61.3	-38.3	178.4	79.4	0	0	0	0	112.4	T141 R142 E143 R149	T141-S145 PolarHBondContact O-N 2.89Å; R142-S145 PolarHBondContact O-N 2.81Å; R142-S145 PolarHBondContact O-OG 3.3Å; E143-S145 VanDerWaalsContact C-N 3.35Å; S145-R149 WeakPolarHBondContact O-CB 3.29Å; S145-R149 WeakPolarHBondContact O-CG 3.36Å; S145-R149 PolarHBondContact O-N 2.83Å
146	S	46.9	Very low	53.1	Low	64 Å²	64	99.2 Å²	99.2	45%	0.448	44%	0.437	S	S	.	.	H	α-helix	trans	-77.8	-41.1	-179.4	71.8	0	0	0	0	112.2	R142 E143 E144 R149 R150	R142-S146 PolarHBondContact O-N 3.32Å; E143-S146 PolarHBondContact O-N 2.89Å; E143-S146 PolarHBondContact O-OG 2.8Å; E144-S146 VanDerWaalsContact C-N 3.3Å; E144-S146 PolarHBondContact O-N 3.45Å; S146-R149 PolarHBondContact O-N 3.42Å; S146-R150 WeakPolarHBondContact O-CB 3.2Å; S146-R150 PolarHBondContact O-N 2.85Å
147	R	53.3	Low	54.3	Low	104 Å²	104	104.3 Å²	104.3	39%	0.392	46%	0.463	S	S	.	.	H	α-helix	trans	-69.2	-38.4	175.1	-70.5	178.5	-172.2	-174.1	5.7	111.8	E143 E144 R150 R151	E143-R147 VanDerWaalsContact O-CB 3.29Å; E143-R147 WeakPolarHBondContact O-CB 3.39Å; E143-R147 VanDerWaalsContact O-CG 3.28Å; E143-R147 WeakPolarHBondContact O-CG 3.28Å; E143-R147 PolarHBondContact O-N 2.85Å; E143-R147 IonicContact OE1-NH2 2.68Å; E143-R147 IonicContact OE2-CZ 2.7Å; E143-R147 VanDerWaalsContact OE2-CZ 3.31Å; E143-R147 IonicContact OE2-NE 3.81Å; E143-R147 IonicContact OE2-NH2 3.73Å; E143-R147 PolarHBondContact OE2-NH2 3.38Å; E144-R147 PolarHBondContact O-N 2.9Å; R147-R150 PolarHBondContact O-N 3.32Å; R147-R151 WeakPolarHBondContact O-CG 3.03Å; R147-R151 PolarHBondContact O-N 3.39Å
148	R	54.9	Low	55.7	Low	154 Å²	154	112.9 Å²	112.9	58%	0.581	50%	0.495	S	S	*	.	H	α-helix	trans	-61.8	-46.9	172	-171.9	173.6	178.1	174.3	1.6	110.5	E144 R150 R151 E152	E144-R148 WeakPolarHBondContact O-CA 3.44Å; E144-R148 WeakPolarHBondContact O-CB 3.5Å; E144-R148 PolarHBondContact O-N 2.83Å; R148-R150 VanDerWaalsContact C-N 3.32Å; R148-R150 PolarHBondContact O-N 2.8Å; R148-R151 PolarHBondContact O-N 3.19Å; R148-E152 IonicContact NE-OE1 3.67Å; R148-E152 WeakPolarHBondContact O-CB 3.31Å; R148-E152 VanDerWaalsContact O-CG 3.32Å; R148-E152 WeakPolarHBondContact O-CG 3.28Å; R148-E152 PolarHBondContact O-N 3.48Å
149	R	57.2	Low	56.9	Low	168 Å²	168	117.7 Å²	117.7	63%	0.634	51%	0.508	S	S	*	.	H	α-helix	trans	-58.1	-39.8	171.3	-78.1	173	-178.2	-168.1	2.1	112.4	S145 S146 R153	S145-R149 WeakPolarHBondContact O-CB 3.29Å; S145-R149 WeakPolarHBondContact O-CG 3.36Å; S145-R149 PolarHBondContact O-N 2.83Å; S146-R149 PolarHBondContact O-N 3.42Å; R149-R153 WeakPolarHBondContact O-CB 3.48Å; R149-R153 WeakPolarHBondContact O-CG 3.46Å; R149-R153 PolarHBondContact O-N 3.47Å
150	R	59.5	Low	58	Low	205 Å²	205	124.3 Å²	124.3	77%	0.774	53%	0.532	S	S	*	.	H	α-helix	trans	-69.4	-41.6	178.4	-164.6	175.5	-177.8	-178.5	0.5	112.6	S146 R147 R148 R153 G154	S146-R150 WeakPolarHBondContact O-CB 3.2Å; S146-R150 PolarHBondContact O-N 2.85Å; R147-R150 PolarHBondContact O-N 3.32Å; R148-R150 VanDerWaalsContact C-N 3.32Å; R148-R150 PolarHBondContact O-N 2.8Å; R150-R153 PolarHBondContact O-N 2.79Å; R150-G154 PolarHBondContact O-N 3.46Å
151	R	59.3	Low	59.4	Low	168 Å²	168	125.8 Å²	125.8	63%	0.634	54%	0.535	S	S	*	.	H	α-helix	trans	-67.5	-40.3	174.3	-74.5	180	178.3	172.2	0.6	111.8	R147 R148 G154 R155	R147-R151 WeakPolarHBondContact O-CG 3.03Å; R147-R151 PolarHBondContact O-N 3.39Å; R148-R151 PolarHBondContact O-N 3.19Å; R151-G154 PolarHBondContact O-N 2.92Å; R151-R155 WeakPolarHBondContact O-CB 3.37Å; R151-R155 PolarHBondContact O-N 2.91Å
152	E	61.5	Low	60.5	Low	77 Å²	77	130.8 Å²	130.8	36%	0.36	56%	0.561	S	S	.	*	H	α-helix	trans	-63.2	-41.3	172.9	-76.9	176.7	-172.4	0	0	111.5	R148 R155 K156	R148-E152 IonicContact NE-OE1 3.67Å; R148-E152 WeakPolarHBondContact O-CB 3.31Å; R148-E152 VanDerWaalsContact O-CG 3.32Å; R148-E152 WeakPolarHBondContact O-CG 3.28Å; R148-E152 PolarHBondContact O-N 3.48Å; E152-R155 PolarHBondContact O-N 3.39Å; E152-K156 VanDerWaalsContact O-CB 3.29Å; E152-K156 WeakPolarHBondContact O-CB 3.45Å; E152-K156 WeakPolarHBondContact O-CG 3.35Å; E152-K156 PolarHBondContact O-N 2.79Å
153	R	66.6	Low	61.5	Low	185 Å²	185	124.4 Å²	124.4	70%	0.698	54%	0.542	S	S	*	.	H	α-helix	trans	-62	-44.5	172.3	-76.6	173.5	-177.3	-170.1	0.3	111.9	R149 R150 K156 L157	R149-R153 WeakPolarHBondContact O-CB 3.48Å; R149-R153 WeakPolarHBondContact O-CG 3.46Å; R149-R153 PolarHBondContact O-N 3.47Å; R150-R153 PolarHBondContact O-N 2.79Å; R153-K156 PolarHBondContact O-N 3.32Å; R153-L157 VanDerWaalsContact O-CB 3.28Å; R153-L157 WeakPolarHBondContact O-CB 3.48Å; R153-L157 PolarHBondContact O-N 3.23Å
154	G	65.6	Low	62.2	Low	40 Å²	40	122.9 Å²	122.9	41%	0.412	54%	0.543	S	S	.	.	H	α-helix	trans	-64.7	-38.9	176	0	0	0	0	0	113.3	R150 R151 L157 R158	R150-G154 PolarHBondContact O-N 3.46Å; R151-G154 PolarHBondContact O-N 2.92Å; G154-L157 PolarHBondContact O-N 3.34Å; G154-R158 VanDerWaalsContact O-CB 3.31Å; G154-R158 WeakPolarHBondContact O-CB 3.25Å; G154-R158 PolarHBondContact O-N 2.91Å
155	R	69.7	Low	62.7	Low	196 Å²	196	127.2 Å²	127.2	74%	0.74	57%	0.567	S	S	*	*	H	α-helix	trans	-70.2	-38.6	175.5	-164.1	172.4	77.1	155.2	2.1	111.8	R151 E152 R159	R151-R155 WeakPolarHBondContact O-CB 3.37Å; R151-R155 PolarHBondContact O-N 2.91Å; E152-R155 PolarHBondContact O-N 3.39Å; R155-R159 VanDerWaalsContact O-CB 3.25Å; R155-R159 WeakPolarHBondContact O-CB 3.37Å; R155-R159 PolarHBondContact O-N 3.45Å
156	K	69.5	Low	63.1	Low	125 Å²	125	127.7 Å²	127.7	54%	0.543	57%	0.574	S	S	.	*	H	α-helix	trans	-62.4	-48	171.2	-76	174.6	-178.1	-176.5	0	110.3	E152 R153 R158 R159 Y160	E152-K156 VanDerWaalsContact O-CB 3.29Å; E152-K156 WeakPolarHBondContact O-CB 3.45Å; E152-K156 WeakPolarHBondContact O-CG 3.35Å; E152-K156 PolarHBondContact O-N 2.79Å; R153-K156 PolarHBondContact O-N 3.32Å; K156-R158 PolarHBondContact O-N 3.28Å; K156-R159 CarbonylContact O-C 3.46Å; K156-R159 WeakPolarHBondContact O-CB 3.3Å; K156-R159 PolarHBondContact O-N 2.76Å; K156-Y160 HydrophobicContact CB-CD2 4.43Å; K156-Y160 HydrophobicContact CB-CE2 4.48Å; K156-Y160 WeakPolarHBondContact O-CD2 3.33Å; K156-Y160 PolarHBondContact O-N 3.38Å
157	L	71.9	Confident	63.6	Low	125 Å²	125	129.9 Å²	129.9	65%	0.654	59%	0.585	S	S	*	*	H	α-helix	trans	-60.8	-45	177.8	-174.6	67.1	0	0	0	111.8	R153 G154 R159 Y160 L161	R153-L157 VanDerWaalsContact O-CB 3.28Å; R153-L157 WeakPolarHBondContact O-CB 3.48Å; R153-L157 PolarHBondContact O-N 3.23Å; G154-L157 PolarHBondContact O-N 3.34Å; L157-R159 VanDerWaalsContact C-N 3.33Å; L157-R159 PolarHBondContact O-N 2.98Å; L157-Y160 PolarHBondContact O-N 3.12Å; L157-L161 VanDerWaalsContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 PolarHBondContact O-N 3.4Å
158	R	72.5	Confident	63.9	Low	184 Å²	184	131.3 Å²	131.3	69%	0.694	61%	0.605	S	S	*	*	H	α-helix	trans	-64.6	-37.2	176.1	-164.9	176	-177.9	-174.1	0.5	111.8	G154 K156 L161 L162	G154-R158 VanDerWaalsContact O-CB 3.31Å; G154-R158 WeakPolarHBondContact O-CB 3.25Å; G154-R158 PolarHBondContact O-N 2.91Å; K156-R158 PolarHBondContact O-N 3.28Å; R158-L161 PolarHBondContact O-N 3.09Å; R158-L162 HydrophobicContact CG-CD1 4.23Å; R158-L162 WeakPolarHBondContact O-CB 3.42Å; R158-L162 WeakPolarHBondContact O-CD1 3.35Å; R158-L162 PolarHBondContact O-N 3.37Å
159	R	67.9	Low	63.7	Low	183 Å²	183	126.5 Å²	126.5	69%	0.691	60%	0.603	S	S	*	*	H	α-helix	trans	-67	-44	174.2	-170.2	178.5	-174	176	2.3	111.6	R155 K156 L157 L161 L162 I163	R155-R159 VanDerWaalsContact O-CB 3.25Å; R155-R159 WeakPolarHBondContact O-CB 3.37Å; R155-R159 PolarHBondContact O-N 3.45Å; K156-R159 CarbonylContact O-C 3.46Å; K156-R159 WeakPolarHBondContact O-CB 3.3Å; K156-R159 PolarHBondContact O-N 2.76Å; L157-R159 VanDerWaalsContact C-N 3.33Å; L157-R159 PolarHBondContact O-N 2.98Å; R159-L161 VanDerWaalsContact C-N 3.35Å; R159-L162 PolarHBondContact O-N 3.44Å; R159-I163 HydrophobicContact CG-CD1 3.94Å; R159-I163 WeakPolarHBondContact O-CB 3.46Å; R159-I163 WeakPolarHBondContact O-CD1 3.2Å; R159-I163 WeakPolarHBondContact O-CG1 3.48Å; R159-I163 PolarHBondContact O-N 3.03Å
160	Y	70.6	Confident	63.1	Low	170 Å²	170	122.6 Å²	122.6	67%	0.667	62%	0.615	S	S	*	*	H	α-helix	trans	-66	-36.4	174.4	-81	-68.3	0	0	0	112.2	K156 L157 G164	K156-Y160 HydrophobicContact CB-CD2 4.43Å; K156-Y160 HydrophobicContact CB-CE2 4.48Å; K156-Y160 WeakPolarHBondContact O-CD2 3.33Å; K156-Y160 PolarHBondContact O-N 3.38Å; L157-Y160 PolarHBondContact O-N 3.12Å; Y160-G164 PolarHBondContact O-N 3.45Å
161	L	73.8	Confident	62.2	Low	111 Å²	111	115.8 Å²	115.8	58%	0.581	61%	0.609	S	S	*	*	H	α-helix	trans	-66.5	-42.2	174.3	-175.2	70.6	0	0	0	111.6	L157 R158 R159 G164 L165	L157-L161 VanDerWaalsContact O-CB 3.25Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 PolarHBondContact O-N 3.4Å; R158-L161 PolarHBondContact O-N 3.09Å; R159-L161 VanDerWaalsContact C-N 3.35Å; L161-G164 PolarHBondContact O-N 3Å; L161-L165 HydrophobicContact CD1-CD1 4.35Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 WeakPolarHBondContact O-CB 3.36Å; L161-L165 PolarHBondContact O-N 3.45Å
162	L	69.1	Low	61.5	Low	113 Å²	113	113.9 Å²	113.9	59%	0.592	62%	0.616	S	S	*	*	H	α-helix	trans	-65.7	-41.6	175.1	-93	149.7	0	0	0	112.3	R158 R159 L165 A166	R158-L162 HydrophobicContact CG-CD1 4.23Å; R158-L162 WeakPolarHBondContact O-CB 3.42Å; R158-L162 WeakPolarHBondContact O-CD1 3.35Å; R158-L162 PolarHBondContact O-N 3.37Å; R159-L162 PolarHBondContact O-N 3.44Å; L162-L165 PolarHBondContact O-N 3.34Å; L162-A166 PolarHBondContact O-N 2.94Å; L162-A166 VanDerWaalsContact O-N 3.09Å
163	I	63.9	Low	60.7	Low	92 Å²	92	116.7 Å²	116.7	47%	0.472	64%	0.638	S	S	.	*	H	α-helix	trans	-66	-41	174.2	-67.5	164.9	0	0	0	110.3	R159 A166 T167	R159-I163 HydrophobicContact CG-CD1 3.94Å; R159-I163 WeakPolarHBondContact O-CB 3.46Å; R159-I163 WeakPolarHBondContact O-CD1 3.2Å; R159-I163 WeakPolarHBondContact O-CG1 3.48Å; R159-I163 PolarHBondContact O-N 3.03Å; I163-A166 PolarHBondContact O-N 3.43Å; I163-T167 PolarHBondContact O-N 2.93Å; I163-T167 PolarHBondContact O-OG1 3.24Å
164	G	59.7	Low	59.8	Low	30 Å²	30	114.9 Å²	114.9	31%	0.309	64%	0.641	S	S	.	*	H	α-helix	trans	-66.9	-34.5	176.2	0	0	0	0	0	113.5	Y160 L161 T167	Y160-G164 PolarHBondContact O-N 3.45Å; L161-G164 PolarHBondContact O-N 3Å; G164-T167 WeakPolarHBondContact CA-OG1 3.3Å; G164-T167 PolarHBondContact O-N 3.16Å; G164-T167 PolarHBondContact O-OG1 3.07Å
165	L	57.7	Low	58.4	Low	122 Å²	122	115.9 Å²	115.9	64%	0.639	65%	0.651	S	S	*	*	H	α-helix	trans	-66.2	-40.2	172.1	-115.5	103.5	0	0	0	111.4	L161 L162 T167 V168	L161-L165 HydrophobicContact CD1-CD1 4.35Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 WeakPolarHBondContact O-CB 3.36Å; L161-L165 PolarHBondContact O-N 3.45Å; L162-L165 PolarHBondContact O-N 3.34Å; L165-T167 PolarHBondContact O-N 2.96Å; L165-V168 PolarHBondContact O-N 3.47Å
166	A	55	Low	57.5	Low	65 Å²	65	112.3 Å²	112.3	54%	0.537	65%	0.65	S	S	.	*	H	α-helix	trans	-67.9	-21	178.3	0	0	0	0	0	113.3	L162 I163	L162-A166 PolarHBondContact O-N 2.94Å; L162-A166 VanDerWaalsContact O-N 3.09Å; I163-A166 PolarHBondContact O-N 3.43Å
167	T	56	Low	56.3	Low	111 Å²	111	113 Å²	113	68%	0.681	67%	0.666	S	S	*	*	H	α-helix	trans	-85.7	-19.9	177.4	44.5	0	0	0	0	114.7	I163 G164 L165	I163-T167 PolarHBondContact O-N 2.93Å; I163-T167 PolarHBondContact O-OG1 3.24Å; G164-T167 WeakPolarHBondContact CA-OG1 3.3Å; G164-T167 PolarHBondContact O-N 3.16Å; G164-T167 PolarHBondContact O-OG1 3.07Å; L165-T167 PolarHBondContact O-N 2.96Å
168	V	61.1	Low	54.5	Low	134 Å²	134	111.3 Å²	111.3	81%	0.812	68%	0.678	S	S	*	*	H	α-helix	trans	-93.6	-24.9	-177.8	177.8	0	0	0	0	112.5	L165	L165-V168 PolarHBondContact O-N 3.47Å
169	G	49.5	Very low	52.5	Low	53 Å²	53	106 Å²	106	55%	0.546	68%	0.681	S	S	.	*	S	Bend	trans	-113.1	94.4	169.3	0	0	0	0	0	109.6	G171	G169-G171 PolarHBondContact O-N 3.42Å; G169-G171 VanDerWaalsContact O-N 3.13Å
170	G	44.8	Very low	50.9	Low	85 Å²	85	105.6 Å²	105.6	88%	0.876	69%	0.691	S	S	*	*			trans	-50.8	118	-177.9	0	0	0	0	0	112.5
171	G	39.9	Very low	49.1	Very low	63 Å²	63	102.5 Å²	102.5	65%	0.649	70%	0.701	S	S	*	*			trans	168.7	99.8	175.8	0	0	0	0	0	114.1	G169 V173	G169-G171 PolarHBondContact O-N 3.42Å; G169-G171 VanDerWaalsContact O-N 3.13Å; G171-V173 PolarHBondContact O-N 2.84Å
172	T	45.8	Very low	46.9	Very low	128 Å²	128	101.3 Å²	101.3	79%	0.785	71%	0.707	S	S	*	*			trans	-68.3	116.3	165.4	-34	0	0	0	0	109.5
173	V	43.6	Very low	45.4	Very low	135 Å²	135	101.5 Å²	101.5	82%	0.818	72%	0.715	S	S	*	*			trans	-135.3	87.1	149.3	-170.6	0	0	0	0	107.9	G171 G175	G171-V173 PolarHBondContact O-N 2.84Å; V173-G175 PolarHBondContact O-N 3.36Å
174	I	49.2	Very low	44	Very low	148 Å²	148	104.9 Å²	104.9	76%	0.759	73%	0.733	S	S	*	*			trans	-73.3	82.9	157.9	-64.5	177.8	0	0	0	105.6	V176	I174-V176 HydrophobicContact CG2-CG2 4.11Å; I174-V176 PolarHBondContact O-N 3.32Å
175	G	34.9	Very low	42.8	Very low	60 Å²	60	110.1 Å²	110.1	62%	0.619	76%	0.759	S	S	*	*			trans	-83.1	90.6	166.5	0	0	0	0	0	108.6	V173 T177	V173-G175 PolarHBondContact O-N 3.36Å; G175-T177 PolarHBondContact O-N 2.94Å
176	V	51.6	Low	41.5	Very low	121 Å²	121	109.2 Å²	109.2	73%	0.733	77%	0.769	S	S	*	*			trans	-62.2	115.8	162.1	173.7	0	0	0	0	107.2	I174	I174-V176 HydrophobicContact CG2-CG2 4.11Å; I174-V176 PolarHBondContact O-N 3.32Å
177	T	43.6	Very low	40.6	Very low	141 Å²	141	111.2 Å²	111.2	87%	0.865	79%	0.785	S	S	*	*			trans	174.7	113.8	146.4	30.1	0	0	0	0	109.4	G175	G175-T177 PolarHBondContact O-N 2.94Å
178	G	33.8	Very low	39.4	Very low	88 Å²	88	109.4 Å²	109.4	91%	0.907	79%	0.789	S	S	*	*	S	Bend	trans	110.8	68.8	168.7	0	0	0	0	0	115.3
179	G	31.8	Very low	37.7	Very low	73 Å²	73	107.9 Å²	107.9	75%	0.753	79%	0.79	S	S	*	*	S	Bend	trans	138.8	13.7	150.1	0	0	0	0	0	119.6
180	L	32.7	Very low	37	Very low	174 Å²	174	109.3 Å²	109.3	91%	0.911	81%	0.805	S	S	*	*			trans	-141.5	87.2	171.6	-75.6	174.1	0	0	0	113
181	A	33.3	Very low	36.2	Very low	106 Å²	106	109.5 Å²	109.5	88%	0.876	80%	0.798	S	S	*	*			trans	-123.2	125	134.7	0	0	0	0	0	104.1
182	A	28.1	Very low	35.8	Very low	85 Å²	85	112.2 Å²	112.2	70%	0.702	80%	0.802	S	S	*	*			cis	-154.4	153.3	31.1	0	0	0	0	0	111.3
183	P	36.6	Very low	35.5	Very low	117 Å²	117	115.1 Å²	115.1	76%	0.76	81%	0.812	S	S	*	*			trans	-129.7	93.3	142.3	33.1	-17.7	0	0	0	109.3
184	L	35.5	Very low	34.9	Very low	164 Å²	164	111.1 Å²	111.1	86%	0.859	80%	0.798	S	S	*	*	S	Bend	trans	177.9	146.1	143.2	-123.6	65.6	0	0	0	109
185	V	34.1	Very low	34	Very low	140 Å²	140	109.5 Å²	109.5	85%	0.848	81%	0.806	S	S	*	*			trans	83.4	73.4	-173.3	-158.8	0	0	0	0	114.5
186	A	31.6	Very low	34	Very low	103 Å²	103	110 Å²	110	85%	0.851	81%	0.812	S	S	*	*			trans	-144.3	46.7	141	0	0	0	0	0	109.3	G188	A186-G188 PolarHBondContact O-N 3.21Å
187	A	34.1	Very low	33.3	Very low	106 Å²	106	107.4 Å²	107.4	88%	0.876	81%	0.81	S	S	*	*			trans	-80.6	92.8	153.2	0	0	0	0	0	105.6
188	G	31.1	Very low	32.8	Very low	73 Å²	73	104.6 Å²	104.6	75%	0.753	80%	0.8	S	S	*	*			trans	154	71.1	-178.4	0	0	0	0	0	114.2	A186	A186-G188 PolarHBondContact O-N 3.21Å
189	A	25.3	Very low	33	Very low	103 Å²	103	104.7 Å²	104.7	85%	0.851	79%	0.793	S	S	*	*			trans	-163.7	58.2	149.3	0	0	0	0	0	108.8
190	G	35.2	Very low	33.3	Very low	83 Å²	83	102.8 Å²	102.8	86%	0.856	77%	0.77	S	S	*	*			trans	-84.6	99.7	156.2	0	0	0	0	0	107.9
191	A	29.3	Very low	33.7	Very low	89 Å²	89	95.7 Å²	95.7	74%	0.736	73%	0.733	S	S	*	*			trans	173.3	116.3	160.5	0	0	0	0	0	104.4
192	V	31.5	Very low	34	Very low	119 Å²	119	93.4 Å²	93.4	72%	0.721	72%	0.72	S	S	*	*			cis	-150.1	114.2	45	172.3	0	0	0	0	108.6	G194	V192-G194 WeakPolarHBondContact CG1-O 3.21Å; V192-G194 PolarHBondContact O-N 2.9Å
193	L	38.2	Very low	35.1	Very low	190 Å²	190	91.3 Å²	91.3	100%	0.995	70%	0.7	S	S	*	*			trans	-80	100.4	151.9	-76.5	166.5	0	0	0	105.7
194	G	31.6	Very low	35.6	Very low	51 Å²	51	89.9 Å²	89.9	53%	0.526	70%	0.698	S	S	.	*	S	Bend	trans	146.4	110	176.6	0	0	0	0	0	114.7	V192	V192-G194 WeakPolarHBondContact CG1-O 3.21Å; V192-G194 PolarHBondContact O-N 2.9Å
195	A	30.1	Very low	36.2	Very low	113 Å²	113	84.7 Å²	84.7	93%	0.934	68%	0.678	S	S	*	*	S	Bend	trans	74.2	115.2	170.4	0	0	0	0	0	118.1
196	G	34.3	Very low	37.1	Very low	71 Å²	71	78.1 Å²	78.1	73%	0.732	64%	0.639	S	S	*	*			trans	106	60.4	150.4	0	0	0	0	0	119.6	A198	G196-A198 VanDerWaalsContact C-N 3.34Å; G196-A198 PolarHBondContact O-N 3.08Å
197	G	37.4	Very low	38.3	Very low	67 Å²	67	76.4 Å²	76.4	69%	0.691	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	39.3	-21	139.3	0	0	0	0	0	126.7	P134	P134-G197 WeakPolarHBondContact CG-O 3.49Å
198	A	33.5	Very low	39.2	Very low	81 Å²	81	74.2 Å²	74.2	67%	0.669	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	-21.8	-163.2	0	0	0	0	0	116.4	G196 A200	G196-A198 VanDerWaalsContact C-N 3.34Å; G196-A198 PolarHBondContact O-N 3.08Å; A198-A200 PolarHBondContact O-N 3.14Å
199	A	37	Very low	40.6	Very low	91 Å²	91	71.3 Å²	71.3	75%	0.752	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-13.8	-167.6	0	0	0	0	0	116.1
200	A	39.7	Very low	42.2	Very low	33 Å²	33	66.5 Å²	66.5	27%	0.273	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.1	-170.4	0	0	0	0	0	114.6	L138 A198 S203	L138-A200 HydrophobicContact CD1-CB 4.44Å; A198-A200 PolarHBondContact O-N 3.14Å; A200-S203 VanDerWaalsContact O-CB 3.3Å; A200-S203 WeakPolarHBondContact O-CB 3.44Å; A200-S203 PolarHBondContact O-N 3.47Å; A200-S203 PolarHBondContact O-OG 2.86Å
201	L	40.9	Very low	43.4	Very low	25 Å²	25	64.1 Å²	64.1	13%	0.131	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-23.2	-171.2	-69	158.6	0	0	0	113.8	C137	C137-L201 HydrophobicContact CB-CD2 3.88Å; C137-L201 WeakPolarHBondContact SG-CD2 3.46Å
202	G	39.2	Very low	45	Very low	58 Å²	58	60.9 Å²	60.9	60%	0.598	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	0.5	170.8	0	0	0	0	0	113.9
203	S	51.4	Low	46.6	Very low	40 Å²	40	55.8 Å²	55.8	28%	0.28	44%	0.437	S	S	.	.	S	Bend	trans	-70.3	146.4	-178.9	74.1	0	0	0	0	111.3	A200 A205 G206 I207	A200-S203 VanDerWaalsContact O-CB 3.3Å; A200-S203 WeakPolarHBondContact O-CB 3.44Å; A200-S203 PolarHBondContact O-N 3.47Å; A200-S203 PolarHBondContact O-OG 2.86Å; S203-A205 PolarHBondContact O-N 3.13Å; S203-G206 PolarHBondContact O-N 2.93Å; S203-G206 VanDerWaalsContact O-N 3.13Å; S203-G206 PolarHBondContact OG-N 2.84Å; S203-I207 PolarHBondContact O-N 3.05Å
204	A	46.8	Very low	47.9	Very low	87 Å²	87	47.5 Å²	47.5	72%	0.719	39%	0.393	S	S	*	.	H	α-helix	trans	-55.1	-29	177.6	0	0	0	0	0	112.9	A208	A204-A208 WeakPolarHBondContact O-CB 3.36Å; A204-A208 PolarHBondContact O-N 3.03Å; A204-A208 VanDerWaalsContact O-N 3.13Å
205	A	49.1	Very low	49.2	Very low	55 Å²	55	46.3 Å²	46.3	46%	0.455	38%	0.38	S	S	.	.	H	α-helix	trans	-68.4	-49.8	176.7	0	0	0	0	0	112.4	S203 I207 A208 I209	S203-A205 PolarHBondContact O-N 3.13Å; A205-I207 VanDerWaalsContact C-N 3.32Å; A205-I207 PolarHBondContact O-N 3.41Å; A205-A208 PolarHBondContact O-N 3.18Å; A205-I209 WeakPolarHBondContact O-CG1 3.39Å; A205-I209 PolarHBondContact O-N 2.96Å
206	G	51.9	Low	50.2	Low	3 Å²	3	45.8 Å²	45.8	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-62.1	-39.1	178.3	0	0	0	0	0	112.7	S203 A208 I209 M210	S203-G206 PolarHBondContact O-N 2.93Å; S203-G206 VanDerWaalsContact O-N 3.13Å; S203-G206 PolarHBondContact OG-N 2.84Å; G206-A208 PolarHBondContact O-N 3.28Å; G206-I209 PolarHBondContact O-N 3.38Å; G206-M210 WeakPolarHBondContact O-CB 3.3Å; G206-M210 VanDerWaalsContact O-CG 3.28Å; G206-M210 WeakPolarHBondContact O-CG 3.43Å; G206-M210 PolarHBondContact O-N 2.87Å; G206-M210 VanDerWaalsContact O-N 3.07Å
207	I	55.8	Low	50.7	Low	67 Å²	67	45 Å²	45	34%	0.344	36%	0.363	S	S	.	.	H	α-helix	trans	-64.7	-39.7	176.4	-65.1	172.5	0	0	0	111.6	S203 A205 A211 K245	S203-I207 PolarHBondContact O-N 3.05Å; A205-I207 VanDerWaalsContact C-N 3.32Å; A205-I207 PolarHBondContact O-N 3.41Å; I207-A211 WeakPolarHBondContact O-CB 3.41Å; I207-A211 PolarHBondContact O-N 3.06Å; I207-A211 VanDerWaalsContact O-N 3.13Å; I207-K245 HydrophobicContact CG2-CD 4.11Å
208	A	54.1	Low	51.1	Low	59 Å²	59	41.8 Å²	41.8	49%	0.488	33%	0.33	S	S	.	.	H	α-helix	trans	-68.5	-42.1	178.5	0	0	0	0	0	112.3	A204 A205 G206 A211 S212	A204-A208 WeakPolarHBondContact O-CB 3.36Å; A204-A208 PolarHBondContact O-N 3.03Å; A204-A208 VanDerWaalsContact O-N 3.13Å; A205-A208 PolarHBondContact O-N 3.18Å; G206-A208 PolarHBondContact O-N 3.28Å; A208-A211 PolarHBondContact O-N 3.33Å; A208-S212 WeakPolarHBondContact O-CB 3.48Å; A208-S212 PolarHBondContact O-N 2.9Å
209	I	60.3	Low	52	Low	13 Å²	13	40.5 Å²	40.5	7%	0.067	32%	0.319	C	S	.	.	H	α-helix	trans	-62.8	-48.7	178.1	-67.3	164.6	0	0	0	109.9	C137 A205 G206 A211 S212 L213	C137-I209 VanDerWaalsContact O-CD1 3.3Å; C137-I209 WeakPolarHBondContact O-CD1 3.47Å; A205-I209 WeakPolarHBondContact O-CG1 3.39Å; A205-I209 PolarHBondContact O-N 2.96Å; G206-I209 PolarHBondContact O-N 3.38Å; I209-A211 PolarHBondContact O-N 3.4Å; I209-S212 WeakPolarHBondContact O-CA 3.26Å; I209-S212 WeakPolarHBondContact O-CB 3.49Å; I209-S212 PolarHBondContact O-N 3.27Å; I209-S212 PolarHBondContact O-OG 3.01Å; I209-L213 HydrophobicContact CG2-CD1 3.9Å; I209-L213 HydrophobicContact CG2-CG 4.34Å; I209-L213 WeakPolarHBondContact O-CG 3.24Å; I209-L213 PolarHBondContact O-N 3.35Å
210	M	59.4	Low	53.1	Low	1 Å²	1	36.7 Å²	36.7	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-60.3	-43.9	178.6	-72.2	-59.4	-58.2	0	0	113.4	G206 S212 L213 F214 K245 H246 L247	G206-M210 WeakPolarHBondContact O-CB 3.3Å; G206-M210 VanDerWaalsContact O-CG 3.28Å; G206-M210 WeakPolarHBondContact O-CG 3.43Å; G206-M210 PolarHBondContact O-N 2.87Å; G206-M210 VanDerWaalsContact O-N 3.07Å; M210-S212 PolarHBondContact O-N 3.46Å; M210-L213 PolarHBondContact O-N 2.89Å; M210-F214 HydrophobicContact CE-CD2 3.67Å; M210-F214 HydrophobicContact CE-CE2 3.58Å; M210-F214 PolarHBondContact O-N 3.41Å; M210-F214 VanDerWaalsContact O-N 3.12Å; M210-F214 HydrophobicContact SD-CE2 4.23Å; M210-K245 HydrophobicContact CB-CB 4.17Å; M210-K245 HydrophobicContact CB-CD 4.16Å; M210-K245 HydrophobicContact CG-CB 4.12Å; M210-H246 VanDerWaalsContact CE-C 3.43Å; M210-H246 WeakPolarHBondContact CE-O 3.3Å; M210-L247 HydrophobicContact CE-CD2 3.78Å; M210-L247 HydrophobicContact SD-CD2 3.46Å; M210-L247 WeakPolarHBondContact SD-CD2 3.34Å; M210-L247 HydrophobicContact SD-CG 4.24Å
211	A	60.3	Low	54.5	Low	33 Å²	33	35.2 Å²	35.2	27%	0.273	28%	0.276	S	S	.	.	H	α-helix	trans	-66.8	-23.4	174.5	0	0	0	0	0	112.7	I207 A208 I209 G215	I207-A211 WeakPolarHBondContact O-CB 3.41Å; I207-A211 PolarHBondContact O-N 3.06Å; I207-A211 VanDerWaalsContact O-N 3.13Å; A208-A211 PolarHBondContact O-N 3.33Å; I209-A211 PolarHBondContact O-N 3.4Å; A211-G215 CarbonylContact O-C 3.54Å; A211-G215 WeakPolarHBondContact O-CA 3.49Å; A211-G215 PolarHBondContact O-N 2.78Å; A211-G215 VanDerWaalsContact O-N 3.1Å
212	S	62.4	Low	55.8	Low	21 Å²	21	37.8 Å²	37.8	15%	0.147	29%	0.293	C	S	.	.	H	α-helix	trans	-80.3	-39.2	176.4	83.2	0	0	0	0	112.8	A208 I209 M210	A208-S212 WeakPolarHBondContact O-CB 3.48Å; A208-S212 PolarHBondContact O-N 2.9Å; I209-S212 WeakPolarHBondContact O-CA 3.26Å; I209-S212 WeakPolarHBondContact O-CB 3.49Å; I209-S212 PolarHBondContact O-N 3.27Å; I209-S212 PolarHBondContact O-OG 3.01Å; M210-S212 PolarHBondContact O-N 3.46Å
213	L	64.7	Low	57.1	Low	13 Å²	13	38.2 Å²	38.2	7%	0.068	30%	0.297	C	S	.	.	H	α-helix	trans	-70.6	-46.9	-179.4	-69.5	172.6	0	0	0	111.4	V105 T141 I209 M210 L247	V105-L213 HydrophobicContact CG1-CD1 3.85Å; V105-L213 HydrophobicContact CG1-CD2 4.16Å; V105-L213 HydrophobicContact CG1-CG 4.48Å; T141-L213 HydrophobicContact CG2-CD2 3.79Å; T141-L213 WeakPolarHBondContact OG1-CD2 3.08Å; I209-L213 HydrophobicContact CG2-CD1 3.9Å; I209-L213 HydrophobicContact CG2-CG 4.34Å; I209-L213 WeakPolarHBondContact O-CG 3.24Å; I209-L213 PolarHBondContact O-N 3.35Å; M210-L213 PolarHBondContact O-N 2.89Å; L213-L247 HydrophobicContact CD1-CD2 4.47Å
214	F	66.6	Low	58.3	Low	16 Å²	16	38.4 Å²	38.4	7%	0.07	29%	0.292	C	S	.	.	S	Bend	trans	-105.4	6.3	-175.2	-56	-74.8	0	0	0	113.8	V105 G108 M210 G218 L247 R366	V105-F214 HydrophobicContact CG1-CZ 4.43Å; G108-F214 WeakPolarHBondContact O-CD1 3.26Å; M210-F214 HydrophobicContact CE-CD2 3.67Å; M210-F214 HydrophobicContact CE-CE2 3.58Å; M210-F214 PolarHBondContact O-N 3.41Å; M210-F214 VanDerWaalsContact O-N 3.12Å; M210-F214 HydrophobicContact SD-CE2 4.23Å; F214-G218 PolarHBondContact O-N 2.93Å; F214-G218 VanDerWaalsContact O-N 3.17Å; F214-L247 HydrophobicContact CE2-CD2 3.44Å; F214-L247 VanDerWaalsContact CE2-CD2 3.44Å; F214-L247 HydrophobicContact CZ-CD2 3.77Å; F214-R366 HydrophobicContact CD1-CG 3.75Å; F214-R366 HydrophobicContact CD2-CG 4.13Å; F214-R366 HydrophobicContact CE1-CG 3.44Å; F214-R366 VanDerWaalsContact CE1-CG 3.44Å; F214-R366 HydrophobicContact CE2-CG 3.87Å; F214-R366 HydrophobicContact CG-CG 4.07Å; F214-R366 HydrophobicContact CZ-CG 3.51Å
215	G	59.1	Low	59.9	Low	25 Å²	25	39.8 Å²	39.8	26%	0.258	28%	0.281	S	S	.	.			trans	75.7	-167.7	176.3	0	0	0	0	0	114.8	A211 A217 G218	A211-G215 CarbonylContact O-C 3.54Å; A211-G215 WeakPolarHBondContact O-CA 3.49Å; A211-G215 PolarHBondContact O-N 2.78Å; A211-G215 VanDerWaalsContact O-N 3.1Å; G215-A217 PolarHBondContact O-N 2.55Å; G215-G218 WeakPolarHBondContact O-CA 3.5Å; G215-G218 PolarHBondContact O-N 3.39Å
216	A	50.9	Low	61.3	Low	102 Å²	102	38.4 Å²	38.4	84%	0.843	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-63.5	-26.4	172.7	0	0	0	0	0	112.2	G218	A216-G218 PolarHBondContact O-N 3.3Å
217	A	44.7	Very low	61.6	Low	55 Å²	55	45.5 Å²	45.5	46%	0.455	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-70.8	-8.5	167.2	0	0	0	0	0	113.5	G215 A219 Q362	G215-A217 PolarHBondContact O-N 2.55Å; A217-A219 PolarHBondContact O-N 3.45Å; A217-Q362 VanDerWaalsContact O-O 3.05Å
218	G	45.9	Very low	61.9	Low	0 Å²	0	50.8 Å²	50.8	0%	0	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-76.5	12.3	170.8	0	0	0	0	0	114.1	F214 G215 A216 G220	F214-G218 PolarHBondContact O-N 2.93Å; F214-G218 VanDerWaalsContact O-N 3.17Å; G215-G218 WeakPolarHBondContact O-CA 3.5Å; G215-G218 PolarHBondContact O-N 3.39Å; A216-G218 PolarHBondContact O-N 3.3Å; G218-G220 PolarHBondContact O-N 2.92Å
219	A	51.3	Low	62.3	Low	53 Å²	53	52.1 Å²	52.1	44%	0.438	33%	0.329	S	S	.	.	S	Bend	trans	-84.5	32.2	170.5	0	0	0	0	0	112.2	A217	A217-A219 PolarHBondContact O-N 3.45Å
220	G	61.3	Low	62.4	Low	11 Å²	11	54.7 Å²	54.7	11%	0.113	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	-171.6	177.5	0	0	0	0	0	114.3	G218 T222 E277	G218-G220 PolarHBondContact O-N 2.92Å; G220-T222 PolarHBondContact O-N 3.26Å; G220-E277 WeakPolarHBondContact CA-OE1 3.4Å
221	L	67.9	Low	62.8	Low	3 Å²	3	58.3 Å²	58.3	2%	0.016	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	6.8	167.7	-65.6	166.6	0	0	0	111.7	G223 Y224 F238 I251 F279 V357 Q363	L221-G223 PolarHBondContact O-N 3.1Å; L221-Y224 VanDerWaalsContact O-CB 3.26Å; L221-Y224 WeakPolarHBondContact O-CB 3.35Å; L221-Y224 PolarHBondContact O-N 3.22Å; L221-F238 HydrophobicContact CB-CB 3.62Å; L221-F238 HydrophobicContact CB-CD1 4.23Å; L221-F238 HydrophobicContact CB-CD2 3.83Å; L221-F238 HydrophobicContact CB-CG 3.63Å; L221-F238 HydrophobicContact CD1-CD1 3.63Å; L221-F238 HydrophobicContact CD1-CD2 4.11Å; L221-F238 HydrophobicContact CD1-CE1 3.66Å; L221-F238 HydrophobicContact CD1-CE2 4.12Å; L221-F238 HydrophobicContact CD1-CG 3.86Å; L221-F238 HydrophobicContact CD1-CZ 3.89Å; L221-F238 HydrophobicContact CD2-CD2 4Å; L221-F238 HydrophobicContact CD2-CE2 3.93Å; L221-F238 HydrophobicContact CD2-CG 4.5Å; L221-F238 HydrophobicContact CD2-CZ 4.39Å; L221-F238 HydrophobicContact CG-CD1 4.45Å; L221-F238 HydrophobicContact CG-CD2 4.2Å; L221-F238 HydrophobicContact CG-CE2 4.42Å; L221-F238 HydrophobicContact CG-CG 4.19Å; L221-I251 HydrophobicContact CD1-CD1 3.77Å; L221-I251 HydrophobicContact CD1-CG1 4.28Å; L221-F279 HydrophobicContact CB-CD1 3.95Å; L221-F279 HydrophobicContact CB-CD2 4.2Å; L221-F279 HydrophobicContact CB-CE1 3.85Å; L221-F279 HydrophobicContact CB-CE2 4.09Å; L221-F279 HydrophobicContact CB-CG 4.13Å; L221-F279 HydrophobicContact CB-CZ 3.93Å; L221-F279 HydrophobicContact CD1-CD2 4.2Å; L221-F279 HydrophobicContact CD1-CG 4.38Å; L221-V357 HydrophobicContact CD2-CG1 4.19Å; L221-Q363 HydrophobicContact CD1-CB 4.4Å; L221-Q363 HydrophobicContact CD2-CB 3.79Å; L221-Q363 HydrophobicContact CG-CB 3.8Å
222	T	68.8	Low	63.7	Low	79 Å²	79	58.4 Å²	58.4	49%	0.485	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	123.5	-176.3	-57.7	0	0	0	0	110.4	G220 Y224 P240 F279	G220-T222 PolarHBondContact O-N 3.26Å; T222-Y224 VanDerWaalsContact C-N 3.29Å; T222-P240 HydrophobicContact CG2-CG 4.15Å; T222-F279 WeakPolarHBondContact OG1-CE1 3.34Å
223	G	66.1	Low	64.9	Low	66 Å²	66	57.6 Å²	57.6	68%	0.68	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	2.4	-178.2	0	0	0	0	0	114.2	L221 K225	L221-G223 PolarHBondContact O-N 3.1Å; G223-K225 PolarHBondContact O-N 3.39Å; G223-K225 VanDerWaalsContact O-N 3.12Å
224	Y	76.2	Confident	65.9	Low	44 Å²	44	60.7 Å²	60.7	17%	0.173	39%	0.391	C	S	.	.			trans	-69.3	108.9	166.8	-176	-80	0	0	0	109	L221 T222 F236 E237 F238 H353 V357	L221-Y224 VanDerWaalsContact O-CB 3.26Å; L221-Y224 WeakPolarHBondContact O-CB 3.35Å; L221-Y224 PolarHBondContact O-N 3.22Å; T222-Y224 VanDerWaalsContact C-N 3.29Å; Y224-F236 HydrophobicContact CD1-CD1 4.22Å; Y224-F236 HydrophobicContact CD1-CE1 4.22Å; Y224-F236 AromaticContact CE1-CD1 3.65Å; Y224-F236 HydrophobicContact CE1-CD1 3.65Å; Y224-F236 AromaticContact CE1-CE1 3.68Å; Y224-F236 HydrophobicContact CE1-CE1 3.68Å; Y224-E237 WeakPolarHBondContact O-CA 3.22Å; Y224-E237 WeakPolarHBondContact O-CG 3.39Å; Y224-F238 AromaticContact CD1-CD2 3.56Å; Y224-F238 HydrophobicContact CD1-CD2 3.56Å; Y224-F238 AromaticContact CD1-CE2 3.79Å; Y224-F238 HydrophobicContact CD1-CE2 3.79Å; Y224-F238 HydrophobicContact CE1-CD2 4.41Å; Y224-F238 HydrophobicContact CE1-CE2 4.22Å; Y224-F238 AromaticContact CG-CD2 3.88Å; Y224-F238 HydrophobicContact CG-CD2 3.88Å; Y224-F238 HydrophobicContact CG-CE2 4.23Å; Y224-F238 PolarHBondContact O-N 2.79Å; Y224-F238 VanDerWaalsContact O-N 3.16Å; Y224-H353 PolarHBondContact OH-NE2 3.42Å; Y224-V357 HydrophobicContact CE1-CG2 4.19Å; Y224-V357 HydrophobicContact CE2-CG1 4.37Å; Y224-V357 HydrophobicContact CE2-CG2 4.32Å; Y224-V357 WeakPolarHBondContact OH-CG2 3.47Å
225	K	80.8	Confident	67	Low	116 Å²	116	63 Å²	63	50%	0.504	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-130.8	130.7	173.3	-170.4	-176	-174.4	95.9	0	108.3	G223 N227 E237	G223-K225 PolarHBondContact O-N 3.39Å; G223-K225 VanDerWaalsContact O-N 3.12Å; K225-N227 PolarHBondContact O-N 3.44Å; K225-N227 VanDerWaalsContact O-N 3.15Å; K225-N227 PolarHBondContact O-OD1 2.89Å; K225-E237 HydrophobicContact CB-CG 4.25Å; K225-E237 HydrophobicContact CG-CB 4.34Å; K225-E237 HydrophobicContact CG-CG 4.27Å; K225-E237 IonicContact NZ-OE2 2.9Å; K225-E237 PolarHBondContact NZ-OE2 3.25Å
226	M	78.1	Confident	68.6	Low	27 Å²	27	61.9 Å²	61.9	13%	0.133	39%	0.39	C	S	.	.			trans	-68.6	112	176.3	-175.1	176	68.7	0	0	109.7	K228 V230 I233 F236	M226-K228 WeakPolarHBondContact CG-O 3.37Å; M226-V230 HydrophobicContact CG-CG2 4.41Å; M226-V230 HydrophobicContact SD-CB 4.01Å; M226-V230 HydrophobicContact SD-CG2 3.8Å; M226-I233 HydrophobicContact CE-CB 4.12Å; M226-I233 HydrophobicContact CE-CG2 3.8Å; M226-I233 WeakPolarHBondContact CE-O 3.47Å; M226-F236 HydrophobicContact CB-CB 4.11Å; M226-F236 WeakPolarHBondContact CB-O 3.42Å; M226-F236 HydrophobicContact CE-CB 4.13Å; M226-F236 PolarHBondContact N-O 3.09Å; M226-F236 HydrophobicContact SD-CB 4.26Å
227	N	59.1	Low	70.6	Confident	151 Å²	151	59.4 Å²	59.4	81%	0.807	36%	0.361	S	S	*	.	S	Bend	trans	-85.8	-12.2	-176.8	-71.8	-23.1	0	0	0	114	K225	K225-N227 PolarHBondContact O-N 3.44Å; K225-N227 VanDerWaalsContact O-N 3.15Å; K225-N227 PolarHBondContact O-OD1 2.89Å
228	K	61.5	Low	72.7	Confident	178 Å²	178	56.8 Å²	56.8	77%	0.774	34%	0.34	S	S	*	.	S	Bend	trans	-141.6	136.7	175.8	-69.4	-174.1	179	-178.6	0	109.1	M226 V230	M226-K228 WeakPolarHBondContact CG-O 3.37Å; K228-V230 PolarHBondContact O-N 2.99Å
229	C	62.4	Low	74.8	Confident	88 Å²	88	60.3 Å²	60.3	60%	0.595	36%	0.356	S	S	*	.			trans	-55.2	121.6	175.6	-54.6	0	0	0	0	110.1	I233	C229-I233 VanDerWaalsContact CA-O 3.31Å; C229-I233 WeakPolarHBondContact CA-O 3.23Å; C229-I233 VanDerWaalsContact CB-O 3.3Å; C229-I233 WeakPolarHBondContact CB-O 3.32Å
230	V	62.4	Low	76.4	Confident	66 Å²	66	60.4 Å²	60.4	40%	0.4	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-97.6	106.9	174.6	178.9	0	0	0	0	107.5	M226 K228 A232 I233	M226-V230 HydrophobicContact CG-CG2 4.41Å; M226-V230 HydrophobicContact SD-CB 4.01Å; M226-V230 HydrophobicContact SD-CG2 3.8Å; K228-V230 PolarHBondContact O-N 2.99Å; V230-A232 PolarHBondContact O-N 3.35Å; V230-A232 VanDerWaalsContact O-N 3.15Å; V230-I233 PolarHBondContact O-N 3.03Å
231	G	69.4	Low	77.3	Confident	78 Å²	78	62.2 Å²	62.2	80%	0.804	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	-115.8	-177	0	0	0	0	0	111.6
232	A	77.8	Confident	77.4	Confident	34 Å²	34	63.5 Å²	63.5	28%	0.281	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.1	-175.9	0	0	0	0	0	113.6	V230 R346 E349	V230-A232 PolarHBondContact O-N 3.35Å; V230-A232 VanDerWaalsContact O-N 3.15Å; A232-R346 WeakPolarHBondContact O-CD 3.26Å; A232-R346 PolarHBondContact O-NE 2.84Å; A232-R346 VanDerWaalsContact O-NE 3.1Å; A232-R346 PolarHBondContact O-NH1 3.32Å; A232-R346 PolarHBondContact O-NH2 3.44Å; A232-E349 HydrophobicContact CB-CG 4.35Å
233	I	87.3	Confident	76.9	Confident	4 Å²	4	66.3 Å²	66.3	2%	0.021	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-96.2	132.3	-173.9	-51.2	166.2	0	0	0	109.3	M226 C229 V230 F236 E284 E349 V350 H353	M226-I233 HydrophobicContact CE-CB 4.12Å; M226-I233 HydrophobicContact CE-CG2 3.8Å; M226-I233 WeakPolarHBondContact CE-O 3.47Å; C229-I233 VanDerWaalsContact CA-O 3.31Å; C229-I233 WeakPolarHBondContact CA-O 3.23Å; C229-I233 VanDerWaalsContact CB-O 3.3Å; C229-I233 WeakPolarHBondContact CB-O 3.32Å; V230-I233 PolarHBondContact O-N 3.03Å; I233-F236 HydrophobicContact CG2-CB 4.15Å; I233-E284 WeakPolarHBondContact CA-OE1 3.48Å; I233-E284 WeakPolarHBondContact CG2-OE1 3.41Å; I233-E349 HydrophobicContact CD1-CB 4.32Å; I233-E349 WeakPolarHBondContact CD1-O 3.18Å; I233-E349 HydrophobicContact CG1-CB 4.07Å; I233-V350 HydrophobicContact CD1-CG2 4.17Å; I233-V350 HydrophobicContact CG1-CG2 4.06Å; I233-V350 HydrophobicContact CG2-CG2 3.95Å; I233-H353 HydrophobicContact CD1-CB 3.44Å; I233-H353 VanDerWaalsContact CD1-CB 3.44Å
234	E	86.8	Confident	76.6	Confident	78 Å²	78	64 Å²	64	36%	0.364	37%	0.366	S	S	.	.			trans	-109.4	-29.8	-176.9	-63.9	-178	-134.9	0	0	112.4	E284 R286 R346	E234-E284 PolarHBondContact N-OE1 2.77Å; E234-R286 IonicContact OE1-CZ 2.98Å; E234-R286 IonicContact OE1-NH2 2.77Å; E234-R286 PolarHBondContact OE1-NH2 3.32Å; E234-R286 IonicContact OE2-CZ 3.48Å; E234-R286 IonicContact OE2-NE 3.07Å; E234-R286 IonicContact OE2-NH1 2.99Å; E234-R286 PolarHBondContact OE2-NH1 3.47Å; E234-R286 IonicContact OE2-NH2 3.26Å; E234-R286 PolarHBondContact OE2-NH2 3.41Å; E234-R346 IonicContact OE1-NH2 3.34Å; E234-R346 PolarHBondContact OE1-NH2 3.4Å
235	E	89.6	Confident	76	Confident	64 Å²	64	64.1 Å²	64.1	30%	0.299	37%	0.368	S	S	.	.			trans	-136.6	124.5	178.6	-173.7	178.2	-142.4	0	0	110.8	V282 W283 E284 S285	E235-V282 HydrophobicContact CG-CG1 4.24Å; E235-W283 WeakPolarHBondContact O-CA 3.42Å; E235-E284 PolarHBondContact N-OE1 2.84Å; E235-E284 PolarHBondContact O-N 2.82Å; E235-S285 VanDerWaalsContact CD-OG 3.27Å; E235-S285 PolarHBondContact OE1-OG 2.81Å; E235-S285 WeakPolarHBondContact OE2-CA 3.3Å; E235-S285 WeakPolarHBondContact OE2-CB 3.49Å; E235-S285 PolarHBondContact OE2-N 3.24Å; E235-S285 PolarHBondContact OE2-OG 2.75Å
236	F	93.3	Very high	75.5	Confident	3 Å²	3	59.1 Å²	59.1	1%	0.013	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	113.7	176.3	-171	-78.5	0	0	0	109.6	Y224 M226 I233 F238 L281 V282 V350 H353 L354 V357	Y224-F236 HydrophobicContact CD1-CD1 4.22Å; Y224-F236 HydrophobicContact CD1-CE1 4.22Å; Y224-F236 AromaticContact CE1-CD1 3.65Å; Y224-F236 HydrophobicContact CE1-CD1 3.65Å; Y224-F236 AromaticContact CE1-CE1 3.68Å; Y224-F236 HydrophobicContact CE1-CE1 3.68Å; M226-F236 HydrophobicContact CB-CB 4.11Å; M226-F236 WeakPolarHBondContact CB-O 3.42Å; M226-F236 HydrophobicContact CE-CB 4.13Å; M226-F236 PolarHBondContact N-O 3.09Å; M226-F236 HydrophobicContact SD-CB 4.26Å; I233-F236 HydrophobicContact CG2-CB 4.15Å; F236-F238 HydrophobicContact CE1-CD2 4.27Å; F236-F238 AromaticContact CE1-CE2 3.51Å; F236-F238 HydrophobicContact CE1-CE2 3.51Å; F236-F238 AromaticContact CE1-CZ 3.82Å; F236-F238 HydrophobicContact CE1-CZ 3.82Å; F236-F238 HydrophobicContact CZ-CE2 4.09Å; F236-F238 AromaticContact CZ-CZ 3.9Å; F236-F238 HydrophobicContact CZ-CZ 3.9Å; F236-L281 HydrophobicContact CD1-CD1 4.28Å; F236-L281 HydrophobicContact CD2-CD1 4.09Å; F236-L281 HydrophobicContact CE1-CD1 3.93Å; F236-L281 HydrophobicContact CE2-CD1 3.72Å; F236-L281 HydrophobicContact CE2-CD2 4.09Å; F236-L281 HydrophobicContact CE2-CG 4.48Å; F236-L281 HydrophobicContact CG-CD1 4.37Å; F236-L281 HydrophobicContact CZ-CD1 3.63Å; F236-V282 WeakPolarHBondContact CA-O 3.45Å; F236-V350 HydrophobicContact CD2-CG1 3.96Å; F236-V350 HydrophobicContact CE2-CG1 3.94Å; F236-H353 AromaticContact CD1-CD2 3.81Å; F236-H353 AromaticContact CD2-CD2 3.71Å; F236-H353 AromaticContact CE1-CD2 3.87Å; F236-H353 AromaticContact CE2-CD2 3.77Å; F236-H353 AromaticContact CG-CD2 3.72Å; F236-H353 AromaticContact CZ-CD2 3.85Å; F236-L354 HydrophobicContact CE2-CB 4.24Å; F236-L354 HydrophobicContact CZ-CB 4.2Å; F236-L354 HydrophobicContact CZ-CD1 4.11Å; F236-V357 HydrophobicContact CE1-CG2 4.11Å; F236-V357 HydrophobicContact CZ-CG2 4.37Å
237	E	91.5	Very high	75.4	Confident	49 Å²	49	58.4 Å²	58.4	23%	0.229	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	142.9	-176.9	179.6	174.5	167.1	0	0	111.1	Y224 K225 V282	Y224-E237 WeakPolarHBondContact O-CA 3.22Å; Y224-E237 WeakPolarHBondContact O-CG 3.39Å; K225-E237 HydrophobicContact CB-CG 4.25Å; K225-E237 HydrophobicContact CG-CB 4.34Å; K225-E237 HydrophobicContact CG-CG 4.27Å; K225-E237 IonicContact NZ-OE2 2.9Å; K225-E237 PolarHBondContact NZ-OE2 3.25Å; E237-V282 HydrophobicContact CB-CB 4.27Å; E237-V282 PolarHBondContact N-O 3.18Å; E237-V282 PolarHBondContact O-N 3.5Å
238	F	90.3	Very high	76.6	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.6	171.4	-67.4	-80.3	0	0	0	110.7	L221 Y224 F236 I251 F279 L281 L354 V357	L221-F238 HydrophobicContact CB-CB 3.62Å; L221-F238 HydrophobicContact CB-CD1 4.23Å; L221-F238 HydrophobicContact CB-CD2 3.83Å; L221-F238 HydrophobicContact CB-CG 3.63Å; L221-F238 HydrophobicContact CD1-CD1 3.63Å; L221-F238 HydrophobicContact CD1-CD2 4.11Å; L221-F238 HydrophobicContact CD1-CE1 3.66Å; L221-F238 HydrophobicContact CD1-CE2 4.12Å; L221-F238 HydrophobicContact CD1-CG 3.86Å; L221-F238 HydrophobicContact CD1-CZ 3.89Å; L221-F238 HydrophobicContact CD2-CD2 4Å; L221-F238 HydrophobicContact CD2-CE2 3.93Å; L221-F238 HydrophobicContact CD2-CG 4.5Å; L221-F238 HydrophobicContact CD2-CZ 4.39Å; L221-F238 HydrophobicContact CG-CD1 4.45Å; L221-F238 HydrophobicContact CG-CD2 4.2Å; L221-F238 HydrophobicContact CG-CE2 4.42Å; L221-F238 HydrophobicContact CG-CG 4.19Å; Y224-F238 AromaticContact CD1-CD2 3.56Å; Y224-F238 HydrophobicContact CD1-CD2 3.56Å; Y224-F238 AromaticContact CD1-CE2 3.79Å; Y224-F238 HydrophobicContact CD1-CE2 3.79Å; Y224-F238 HydrophobicContact CE1-CD2 4.41Å; Y224-F238 HydrophobicContact CE1-CE2 4.22Å; Y224-F238 AromaticContact CG-CD2 3.88Å; Y224-F238 HydrophobicContact CG-CD2 3.88Å; Y224-F238 HydrophobicContact CG-CE2 4.23Å; Y224-F238 PolarHBondContact O-N 2.79Å; Y224-F238 VanDerWaalsContact O-N 3.16Å; F236-F238 HydrophobicContact CE1-CD2 4.27Å; F236-F238 AromaticContact CE1-CE2 3.51Å; F236-F238 HydrophobicContact CE1-CE2 3.51Å; F236-F238 AromaticContact CE1-CZ 3.82Å; F236-F238 HydrophobicContact CE1-CZ 3.82Å; F236-F238 HydrophobicContact CZ-CE2 4.09Å; F236-F238 AromaticContact CZ-CZ 3.9Å; F236-F238 HydrophobicContact CZ-CZ 3.9Å; F238-I251 HydrophobicContact CD1-CG2 4.38Å; F238-I251 HydrophobicContact CE1-CD1 3.91Å; F238-I251 HydrophobicContact CE1-CG1 4.49Å; F238-I251 HydrophobicContact CE1-CG2 4.01Å; F238-F279 HydrophobicContact CB-CB 4.49Å; F238-F279 HydrophobicContact CB-CD1 3.92Å; F238-F279 HydrophobicContact CB-CG 4.43Å; F238-F279 HydrophobicContact CD1-CB 4.21Å; F238-L281 HydrophobicContact CD1-CD1 4.04Å; F238-L281 HydrophobicContact CE1-CD1 3.76Å; F238-L281 HydrophobicContact CZ-CD1 4.1Å; F238-L354 HydrophobicContact CE1-CD1 3.94Å; F238-L354 HydrophobicContact CZ-CD1 3.61Å; F238-V357 HydrophobicContact CE2-CG1 3.93Å; F238-V357 HydrophobicContact CZ-CG1 4.29Å
239	Q	88.7	Confident	77.8	Confident	73 Å²	73	43.6 Å²	43.6	34%	0.341	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120.6	177.8	-159.9	179.5	29.4	0	0	110.2	F279 C280 V282	Q239-F279 CarbonylContact O-C 3.48Å; Q239-F279 WeakPolarHBondContact O-CA 3.15Å; Q239-C280 PolarHBondContact N-O 3.33Å; Q239-C280 PolarHBondContact O-N 3.03Å; Q239-V282 HydrophobicContact CB-CG2 4.07Å
240	P	86.4	Confident	79.1	Confident	56 Å²	56	40.5 Å²	40.5	36%	0.364	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	136.7	178	28.5	-34.7	0	0	0	111	T222 F279	T222-P240 HydrophobicContact CG2-CG 4.15Å; P240-F279 HydrophobicContact CB-CD1 4.31Å; P240-F279 HydrophobicContact CB-CE1 3.95Å
241	M	79.9	Confident	80.6	Confident	48 Å²	48	37.3 Å²	37.3	24%	0.236	23%	0.231	C	C	.	.	S	Bend	trans	-102.9	-18.3	176.2	-68	-176.2	72	0	0	113.3	Q266 W269 K278 C280	M241-Q266 HydrophobicContact CE-CB 4.11Å; M241-Q266 HydrophobicContact CE-CG 4.45Å; M241-Q266 HydrophobicContact CG-CG 3.93Å; M241-Q266 HydrophobicContact SD-CG 4.47Å; M241-W269 HydrophobicContact CE-CB 3.45Å; M241-W269 VanDerWaalsContact CE-CB 3.45Å; M241-W269 HydrophobicContact CE-CG 4.46Å; M241-W269 HydrophobicContact SD-CB 4.14Å; M241-K278 HydrophobicContact CB-CB 3.99Å; M241-K278 PolarHBondContact N-O 3.46Å; M241-C280 HydrophobicContact CG-CB 4Å; M241-C280 HydrophobicContact SD-CB 3.95Å
242	S	69.8	Low	81.8	Confident	31 Å²	31	33.7 Å²	33.7	22%	0.217	19%	0.193	C	C	.	.			trans	-141.9	140.3	-176.2	57.9	0	0	0	0	109.9	G244 G276 K278	S242-G244 VanDerWaalsContact C-N 3.31Å; S242-G244 PolarHBondContact O-N 3.48Å; S242-G276 PolarHBondContact OG-O 2.89Å; S242-K278 PolarHBondContact OG-N 3.42Å; S242-K278 VanDerWaalsContact OG-N 3.13Å
243	S	58.8	Low	82.8	Confident	137 Å²	137	32 Å²	32	96%	0.958	18%	0.18	S	C	*	.			trans	-88.2	18.3	-176.5	-54.1	0	0	0	0	115.1
244	G	58.4	Low	83.2	Confident	17 Å²	17	31.9 Å²	31.9	18%	0.175	18%	0.179	C	C	.	.			trans	-99.1	143.3	-179.7	0	0	0	0	0	113.3	S242 E277	S242-G244 VanDerWaalsContact C-N 3.31Å; S242-G244 PolarHBondContact O-N 3.48Å; G244-E277 WeakPolarHBondContact O-CB 3.01Å; G244-E277 WeakPolarHBondContact O-CG 3.35Å
245	K	63.6	Low	83.5	Confident	47 Å²	47	28.2 Å²	28.2	20%	0.204	16%	0.162	C	C	.	.			trans	-95.1	128.6	170.5	-66.5	-168.9	-178.2	-174.7	0	110	I207 M210	I207-K245 HydrophobicContact CG2-CD 4.11Å; M210-K245 HydrophobicContact CB-CB 4.17Å; M210-K245 HydrophobicContact CB-CD 4.16Å; M210-K245 HydrophobicContact CG-CB 4.12Å
246	H	71.3	Confident	83.7	Confident	12 Å²	12	25.1 Å²	25.1	6%	0.056	15%	0.147	C	C	.	.			trans	-133.7	158.3	-177.3	-66.9	-93.4	0	0	0	111.9	M210 H248 G276 E277 R366	M210-H246 VanDerWaalsContact CE-C 3.43Å; M210-H246 WeakPolarHBondContact CE-O 3.3Å; H246-H248 WeakPolarHBondContact CB-O 3.14Å; H246-H248 PolarHBondContact O-N 2.99Å; H246-G276 VanDerWaalsContact CD2-CA 3.48Å; H246-G276 WeakPolarHBondContact CD2-CA 3.28Å; H246-G276 PolarHBondContact CE1-N 2.85Å; H246-G276 VanDerWaalsContact CG-CA 3.45Å; H246-E277 HydrophobicContact CB-CB 4.12Å; H246-E277 PolarHBondContact CD2-N 3.41Å; H246-R366 PolarHBondContact O-NH1 3.47Å
247	L	76.3	Confident	83.7	Confident	11 Å²	11	25.2 Å²	25.2	6%	0.058	15%	0.148	C	C	.	.	S	Bend	trans	-66.4	-14.8	173.7	-76.9	-157.8	0	0	0	113.7	V101 V105 Y110 V136 M210 L213 F214 R366 P367	V101-L247 HydrophobicContact CG1-CD1 3.98Å; V105-L247 HydrophobicContact CG2-CD1 3.67Å; Y110-L247 HydrophobicContact CD1-CB 3.72Å; Y110-L247 HydrophobicContact CD1-CD1 3.8Å; Y110-L247 HydrophobicContact CD1-CG 4.31Å; Y110-L247 HydrophobicContact CE1-CB 3.66Å; Y110-L247 HydrophobicContact CE1-CD1 3.63Å; Y110-L247 HydrophobicContact CE1-CG 4.32Å; Y110-L247 HydrophobicContact CG-CD1 4.48Å; V136-L247 HydrophobicContact CB-CD1 4.49Å; V136-L247 HydrophobicContact CG1-CB 4.27Å; V136-L247 HydrophobicContact CG1-CD1 2.99Å; V136-L247 HydrophobicContact CG1-CG 3.45Å; V136-L247 VanDerWaalsContact CG1-CG 3.45Å; M210-L247 HydrophobicContact CE-CD2 3.78Å; M210-L247 HydrophobicContact SD-CD2 3.46Å; M210-L247 WeakPolarHBondContact SD-CD2 3.34Å; M210-L247 HydrophobicContact SD-CG 4.24Å; L213-L247 HydrophobicContact CD1-CD2 4.47Å; F214-L247 HydrophobicContact CE2-CD2 3.44Å; F214-L247 VanDerWaalsContact CE2-CD2 3.44Å; F214-L247 HydrophobicContact CZ-CD2 3.77Å; L247-R366 WeakPolarHBondContact O-CB 3.32Å; L247-P367 WeakPolarHBondContact O-CD 3.47Å
248	H	83.3	Confident	83.4	Confident	19 Å²	19	23.9 Å²	23.9	9%	0.088	14%	0.143	C	C	.	.	S	Bend	trans	-129.2	147.4	-177.7	164	-96.2	0	0	0	110.5	H246 T250 E277 P367 S369 E398	H246-H248 WeakPolarHBondContact CB-O 3.14Å; H246-H248 PolarHBondContact O-N 2.99Å; H248-T250 PolarHBondContact CE1-OG1 3.45Å; H248-T250 VanDerWaalsContact CE1-OG1 3.25Å; H248-E277 PolarHBondContact O-N 3.44Å; H248-P367 PolarHBondContact CD2-O 3.14Å; H248-S369 PolarHBondContact CE1-OG 3.01Å; H248-S369 WeakPolarHBondContact NE2-CB 3.43Å; H248-S369 PolarHBondContact NE2-N 3.13Å; H248-S369 PolarHBondContact NE2-OG 3.13Å; H248-E398 IonicContact CD2-OE2 3.72Å; H248-E398 PolarHBondContact CD2-OE2 2.73Å; H248-E398 IonicContact CG-OE2 3.53Å; H248-E398 IonicContact NE2-OE2 3.09Å; H248-E398 PolarHBondContact NE2-OE2 2.88Å
249	L	86	Confident	83.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.9	-176	-66.9	156.2	0	0	0	109.9	E277 F279 Q363 R366 P367 V368 S369	L249-E277 CarbonylContact C-O 3.46Å; L249-E277 WeakPolarHBondContact CA-O 3.38Å; L249-E277 HydrophobicContact CD2-CB 3.88Å; L249-E277 HydrophobicContact CD2-CG 3.78Å; L249-F279 HydrophobicContact CD2-CD2 3.99Å; L249-F279 HydrophobicContact CD2-CE2 3.52Å; L249-Q363 HydrophobicContact CD1-CB 3.56Å; L249-Q363 HydrophobicContact CD1-CG 3.39Å; L249-R366 HydrophobicContact CD1-CB 4.06Å; L249-P367 PolarHBondContact N-O 3.36Å; L249-P367 VanDerWaalsContact N-O 3.1Å; L249-V368 HydrophobicContact CB-CG2 4.29Å; L249-V368 HydrophobicContact CD1-CG2 4.22Å; L249-V368 CarbonylContact O-C 3.44Å; L249-V368 WeakPolarHBondContact O-CA 3.34Å; L249-S369 PolarHBondContact O-N 3.18Å
250	T	90.4	Very high	82.9	Confident	22 Å²	22	28.1 Å²	28.1	14%	0.135	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126	169.4	-56.2	0	0	0	0	109.5	H248 L272 E277 K278 F279 S369 I371	H248-T250 PolarHBondContact CE1-OG1 3.45Å; H248-T250 VanDerWaalsContact CE1-OG1 3.25Å; T250-L272 HydrophobicContact CG2-CD2 4.23Å; T250-E277 PolarHBondContact N-O 2.85Å; T250-K278 CarbonylContact O-C 3.07Å; T250-K278 VanDerWaalsContact O-CA 3.32Å; T250-K278 WeakPolarHBondContact O-CA 3.36Å; T250-F279 PolarHBondContact O-N 3.2Å; T250-S369 CarbonylContact C-O 3.57Å; T250-S369 WeakPolarHBondContact CA-O 3.14Å; T250-I371 HydrophobicContact CG2-CG2 4.11Å
251	I	93.9	Very high	82.6	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.6	175.8	-54.7	173.2	0	0	0	108.2	L221 F238 V253 F279 L281 L358 V368 S369 L370 I371	L221-I251 HydrophobicContact CD1-CD1 3.77Å; L221-I251 HydrophobicContact CD1-CG1 4.28Å; F238-I251 HydrophobicContact CD1-CG2 4.38Å; F238-I251 HydrophobicContact CE1-CD1 3.91Å; F238-I251 HydrophobicContact CE1-CG1 4.49Å; F238-I251 HydrophobicContact CE1-CG2 4.01Å; I251-V253 HydrophobicContact CG2-CG2 4.22Å; I251-F279 CarbonylContact C-O 3.6Å; I251-F279 WeakPolarHBondContact CA-O 3.46Å; I251-F279 HydrophobicContact CG1-CB 4.46Å; I251-L281 HydrophobicContact CG2-CB 4.25Å; I251-L358 HydrophobicContact CD1-CD2 3.92Å; I251-V368 HydrophobicContact CD1-CG1 3.6Å; I251-V368 HydrophobicContact CG1-CG1 3.92Å; I251-S369 PolarHBondContact N-O 3.23Å; I251-L370 HydrophobicContact CB-CD2 3.8Å; I251-L370 HydrophobicContact CD1-CD2 4.05Å; I251-L370 HydrophobicContact CG1-CD2 4.3Å; I251-L370 HydrophobicContact CG2-CD2 4.49Å; I251-I371 PolarHBondContact O-N 3Å
252	A	95.5	Very high	82.8	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.9	175.4	0	0	0	0	0	110.4	W269 F279 C280 L281 I371	A252-W269 HydrophobicContact CB-CD2 3.75Å; A252-W269 HydrophobicContact CB-CE3 4.43Å; A252-W269 HydrophobicContact CB-CG 3.76Å; A252-W269 HydrophobicContact CB-CZ2 4.31Å; A252-F279 PolarHBondContact N-O 2.73Å; A252-C280 WeakPolarHBondContact O-CA 3.34Å; A252-L281 PolarHBondContact O-N 3.36Å; A252-I371 CarbonylContact C-O 3.5Å; A252-I371 VanDerWaalsContact CA-O 3.31Å; A252-I371 WeakPolarHBondContact CA-O 3.29Å; A252-I371 HydrophobicContact CB-CG2 3.89Å
253	V	97.4	Very high	83.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	108.9	-176	-166.7	0	0	0	0	109.9	I251 L281 I371 G372 F373 G376 V379 I380	I251-V253 HydrophobicContact CG2-CG2 4.22Å; V253-L281 HydrophobicContact CG1-CB 4.45Å; V253-L281 HydrophobicContact CG1-CD2 4.12Å; V253-L281 HydrophobicContact CG2-CB 4.16Å; V253-L281 HydrophobicContact CG2-CD2 4.24Å; V253-I371 PolarHBondContact N-O 3.2Å; V253-G372 WeakPolarHBondContact O-CA 3.46Å; V253-F373 PolarHBondContact O-N 2.88Å; V253-G376 VanDerWaalsContact CG1-CA 3.5Å; V253-V379 HydrophobicContact CG1-CB 4.11Å; V253-V379 HydrophobicContact CG1-CG1 4.16Å; V253-V379 HydrophobicContact CG1-CG2 4.43Å; V253-I380 HydrophobicContact CB-CD1 4.29Å; V253-I380 HydrophobicContact CB-CG1 4.47Å; V253-I380 HydrophobicContact CG2-CD1 4.04Å; V253-I380 HydrophobicContact CG2-CG1 3.99Å
254	T	96.1	Very high	85	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	19%	0.185	C	C	.	.			trans	-79.1	136.5	179.9	-63	0	0	0	0	110.7	W256 L257 F265 P268 W269 W283 F373	T254-W256 WeakPolarHBondContact CG2-O 3.17Å; T254-L257 HydrophobicContact CG2-CD2 4.05Å; T254-F265 PolarHBondContact OG1-O 3.34Å; T254-P268 HydrophobicContact CG2-CG 4.25Å; T254-W269 PolarHBondContact OG1-NE1 3.39Å; T254-W283 PolarHBondContact O-NE1 2.76Å; T254-F373 HydrophobicContact CG2-CE1 3.89Å; T254-F373 HydrophobicContact CG2-CZ 3.74Å
255	G	93.3	Very high	86.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.179	C	C	.	.			trans	-91.6	-22.1	-173.5	0	0	0	0	0	116.7	F373 L375 G376	G255-F373 VanDerWaalsContact CA-O 3.25Å; G255-F373 WeakPolarHBondContact CA-O 3.38Å; G255-F373 PolarHBondContact N-O 2.96Å; G255-L375 WeakPolarHBondContact O-CB 3.21Å; G255-G376 VanDerWaalsContact CA-N 3.25Å
256	W	93.3	Very high	87.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.181	C	C	.	.			trans	-159.6	167.2	171.3	71.2	88.2	0	0	0	109.2	T254 C258 L291 M295 F373 H474 L475 M478	T254-W256 WeakPolarHBondContact CG2-O 3.17Å; W256-C258 VanDerWaalsContact CD1-SG 3.52Å; W256-C258 PolarHBondContact NE1-SG 2.68Å; W256-C258 VanDerWaalsContact NE1-SG 3.36Å; W256-L291 HydrophobicContact CB-CD2 4.37Å; W256-M295 HydrophobicContact CB-SD 4.49Å; W256-M295 HydrophobicContact CD2-CE 4.34Å; W256-M295 HydrophobicContact CE3-CE 4.32Å; W256-M295 HydrophobicContact CG-SD 4.34Å; W256-F373 AromaticContact CD2-CE2 3.88Å; W256-F373 HydrophobicContact CD2-CE2 3.88Å; W256-F373 AromaticContact CE3-CD2 3.89Å; W256-F373 HydrophobicContact CE3-CD2 3.89Å; W256-F373 AromaticContact CE3-CE2 3.47Å; W256-F373 HydrophobicContact CE3-CE2 3.47Å; W256-F373 VanDerWaalsContact CE3-CE2 3.47Å; W256-F373 AromaticContact CH2-CD2 3.65Å; W256-F373 HydrophobicContact CH2-CD2 3.65Å; W256-F373 AromaticContact CH2-CE2 3.39Å; W256-F373 HydrophobicContact CH2-CE2 3.39Å; W256-F373 HydrophobicContact CZ2-CD2 4.49Å; W256-F373 AromaticContact CZ2-CE2 3.82Å; W256-F373 HydrophobicContact CZ2-CE2 3.82Å; W256-F373 AromaticContact CZ3-CD2 3.32Å; W256-F373 HydrophobicContact CZ3-CD2 3.32Å; W256-F373 AromaticContact CZ3-CE2 3.24Å; W256-F373 HydrophobicContact CZ3-CE2 3.24Å; W256-H474 WeakPolarHBondContact CH2-O 3.25Å; W256-H474 AromaticContact CZ3-CD2 3.59Å; W256-H474 AromaticContact CZ3-NE2 3.7Å; W256-L475 HydrophobicContact CD2-CD2 4.41Å; W256-L475 HydrophobicContact CH2-CD2 4.35Å; W256-L475 HydrophobicContact CZ2-CD2 3.67Å; W256-M478 HydrophobicContact CH2-CB 4.06Å; W256-M478 HydrophobicContact CZ2-CB 3.46Å; W256-M478 VanDerWaalsContact CZ2-CB 3.46Å; W256-M478 HydrophobicContact CZ2-CE 4.39Å; W256-M478 HydrophobicContact CZ2-CG 4.42Å; W256-M478 HydrophobicContact CZ2-SD 4.26Å
257	L	92.6	Very high	88.8	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	19%	0.186	C	C	.	.			trans	-122	140.3	178.2	-64.9	175	0	0	0	110.8	T254 F265 L288 R289 G292	T254-L257 HydrophobicContact CG2-CD2 4.05Å; L257-F265 HydrophobicContact CD1-CD2 4.14Å; L257-F265 HydrophobicContact CD1-CE1 4.37Å; L257-F265 HydrophobicContact CD1-CE2 3.57Å; L257-F265 HydrophobicContact CD1-CZ 3.7Å; L257-F265 HydrophobicContact CD2-CD1 4.41Å; L257-F265 HydrophobicContact CD2-CD2 4.22Å; L257-F265 HydrophobicContact CD2-CE2 4.41Å; L257-F265 HydrophobicContact CD2-CG 4.21Å; L257-F265 HydrophobicContact CG-CE2 4.48Å; L257-F265 HydrophobicContact CG-CZ 4.42Å; L257-L288 HydrophobicContact CD1-CB 4.28Å; L257-L288 HydrophobicContact CG-CB 4.16Å; L257-L288 PolarHBondContact N-O 2.92Å; L257-R289 HydrophobicContact CB-CG 3.72Å; L257-R289 HydrophobicContact CD1-CG 3.83Å; L257-R289 HydrophobicContact CG-CG 4.45Å; L257-G292 WeakPolarHBondContact O-CA 3.31Å
258	C	86.6	Confident	89.4	Confident	21 Å²	21	30.1 Å²	30.1	14%	0.142	18%	0.184	C	C	.	.			trans	-118.2	155.8	175.2	-67	0	0	0	0	110.8	W256 Y262 S263 M478	W256-C258 VanDerWaalsContact CD1-SG 3.52Å; W256-C258 PolarHBondContact NE1-SG 2.68Å; W256-C258 VanDerWaalsContact NE1-SG 3.36Å; C258-Y262 PolarHBondContact N-O 3.21Å; C258-Y262 CarbonylContact O-C 3.59Å; C258-Y262 VanDerWaalsContact O-O 3.05Å; C258-S263 WeakPolarHBondContact O-CA 3.5Å; C258-S263 PolarHBondContact O-N 3.47Å; C258-M478 HydrophobicContact CB-CE 3.92Å; C258-M478 VanDerWaalsContact SG-CE 3.53Å
259	S	83.3	Confident	89.8	Confident	105 Å²	105	29.3 Å²	29.3	73%	0.734	18%	0.18	S	C	*	.	S	Bend	trans	-62.5	154	170.5	-62.4	0	0	0	0	111.6
260	G	84.6	Confident	89.8	Confident	58 Å²	58	32.5 Å²	32.5	60%	0.598	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	82.7	-131.8	178.1	0	0	0	0	0	113.5	Y262 S263	G260-Y262 PolarHBondContact O-N 2.73Å; G260-Y262 VanDerWaalsContact O-N 3.1Å; G260-S263 WeakPolarHBondContact O-CB 3.33Å; G260-S263 PolarHBondContact O-N 2.82Å; G260-S263 PolarHBondContact O-OG 2.83Å
261	K	79.9	Confident	89.5	Confident	158 Å²	158	32.3 Å²	32.3	69%	0.687	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-55.7	-30.7	-173.2	-176.1	-179.6	176.2	-172.2	0	113.6	A267	K261-A267 VanDerWaalsContact O-CB 3.27Å; K261-A267 WeakPolarHBondContact O-CB 3.14Å
262	Y	84.6	Confident	89.1	Confident	41 Å²	41	32.8 Å²	32.8	16%	0.161	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-108.1	29.8	-174	-56.3	-78.3	0	0	0	113.1	C258 G260 S264 A267 P268 M478	C258-Y262 PolarHBondContact N-O 3.21Å; C258-Y262 CarbonylContact O-C 3.59Å; C258-Y262 VanDerWaalsContact O-O 3.05Å; G260-Y262 PolarHBondContact O-N 2.73Å; G260-Y262 VanDerWaalsContact O-N 3.1Å; Y262-S264 VanDerWaalsContact C-N 3.26Å; Y262-S264 PolarHBondContact O-N 3.33Å; Y262-A267 HydrophobicContact CD1-CB 4.11Å; Y262-P268 HydrophobicContact CD1-CG 4.44Å; Y262-M478 WeakPolarHBondContact CB-SD 3.41Å; Y262-M478 HydrophobicContact CD1-CE 4.15Å; Y262-M478 HydrophobicContact CD1-CG 3.61Å; Y262-M478 HydrophobicContact CD1-SD 3.88Å; Y262-M478 HydrophobicContact CD2-CE 3.57Å; Y262-M478 HydrophobicContact CD2-SD 4.35Å; Y262-M478 HydrophobicContact CE1-CG 3.94Å; Y262-M478 WeakPolarHBondContact CE1-O 3.3Å; Y262-M478 HydrophobicContact CE2-CE 4.29Å; Y262-M478 HydrophobicContact CG-CE 3.49Å; Y262-M478 VanDerWaalsContact CG-CE 3.49Å; Y262-M478 HydrophobicContact CG-CG 3.95Å; Y262-M478 HydrophobicContact CG-SD 3.66Å
263	S	85.4	Confident	87.9	Confident	62 Å²	62	33 Å²	33	43%	0.434	21%	0.207	S	C	.	.	S	Bend	trans	-77.1	-13.5	178.5	68.1	0	0	0	0	113.6	C258 G260	C258-S263 WeakPolarHBondContact O-CA 3.5Å; C258-S263 PolarHBondContact O-N 3.47Å; G260-S263 WeakPolarHBondContact O-CB 3.33Å; G260-S263 PolarHBondContact O-N 2.82Å; G260-S263 PolarHBondContact O-OG 2.83Å
264	S	89.5	Confident	86.2	Confident	53 Å²	53	40.1 Å²	40.1	37%	0.371	24%	0.241	S	C	.	.	S	Bend	trans	-109.6	147.4	178.9	73.8	0	0	0	0	110.9	Y262 Q266 A267	Y262-S264 VanDerWaalsContact C-N 3.26Å; Y262-S264 PolarHBondContact O-N 3.33Å; S264-Q266 PolarHBondContact O-N 3.1Å; S264-A267 PolarHBondContact O-N 3.12Å; S264-A267 WeakPolarHBondContact OG-CB 3.36Å; S264-A267 PolarHBondContact OG-N 2.83Å
265	F	91.3	Very high	84.4	Confident	12 Å²	12	43.5 Å²	43.5	5%	0.053	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29	177.6	-71.1	-101.7	0	0	0	112.5	T254 L257 P268 W269 C280 L281 V282 W283 S285 L288	T254-F265 PolarHBondContact OG1-O 3.34Å; L257-F265 HydrophobicContact CD1-CD2 4.14Å; L257-F265 HydrophobicContact CD1-CE1 4.37Å; L257-F265 HydrophobicContact CD1-CE2 3.57Å; L257-F265 HydrophobicContact CD1-CZ 3.7Å; L257-F265 HydrophobicContact CD2-CD1 4.41Å; L257-F265 HydrophobicContact CD2-CD2 4.22Å; L257-F265 HydrophobicContact CD2-CE2 4.41Å; L257-F265 HydrophobicContact CD2-CG 4.21Å; L257-F265 HydrophobicContact CG-CE2 4.48Å; L257-F265 HydrophobicContact CG-CZ 4.42Å; F265-P268 WeakPolarHBondContact O-CD 3.34Å; F265-W269 PolarHBondContact O-NE1 3.13Å; F265-C280 WeakPolarHBondContact CB-SG 3.4Å; F265-C280 PolarHBondContact O-SG 3.35Å; F265-L281 VanDerWaalsContact CD1-O 3.26Å; F265-L281 WeakPolarHBondContact CD1-O 3.37Å; F265-V282 HydrophobicContact CB-CG2 4.47Å; F265-V282 HydrophobicContact CD2-CB 4.38Å; F265-V282 HydrophobicContact CD2-CG1 4.15Å; F265-V282 HydrophobicContact CD2-CG2 3.93Å; F265-V282 HydrophobicContact CE2-CB 4.31Å; F265-V282 HydrophobicContact CE2-CG1 3.7Å; F265-V282 HydrophobicContact CE2-CG2 4.33Å; F265-V282 HydrophobicContact CG-CG2 4.15Å; F265-V282 HydrophobicContact CZ-CB 4.5Å; F265-V282 HydrophobicContact CZ-CG1 3.99Å; F265-W283 AromaticContact CE1-CD1 3.95Å; F265-W283 WeakPolarHBondContact CZ-O 3.08Å; F265-S285 WeakPolarHBondContact CE2-OG 3.17Å; F265-S285 VanDerWaalsContact CZ-OG 3.26Å; F265-S285 WeakPolarHBondContact CZ-OG 3.29Å; F265-L288 HydrophobicContact CE1-CD1 3.62Å; F265-L288 HydrophobicContact CZ-CD1 3.99Å
266	Q	91	Very high	83.1	Confident	53 Å²	53	43.8 Å²	43.8	25%	0.248	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-21.8	-177.6	-60.2	-174.7	31.4	0	0	113.8	M241 S264 P268 W269 C280	M241-Q266 HydrophobicContact CE-CB 4.11Å; M241-Q266 HydrophobicContact CE-CG 4.45Å; M241-Q266 HydrophobicContact CG-CG 3.93Å; M241-Q266 HydrophobicContact SD-CG 4.47Å; S264-Q266 PolarHBondContact O-N 3.1Å; Q266-P268 VanDerWaalsContact C-CD 3.46Å; Q266-W269 PolarHBondContact O-N 2.81Å; Q266-C280 HydrophobicContact CG-CB 3.88Å
267	A	89.9	Confident	82.3	Confident	19 Å²	19	44.2 Å²	44.2	16%	0.157	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-54.9	-43.2	-172.1	0	0	0	0	0	114.4	K261 Y262 S264 W269	K261-A267 VanDerWaalsContact O-CB 3.27Å; K261-A267 WeakPolarHBondContact O-CB 3.14Å; Y262-A267 HydrophobicContact CD1-CB 4.11Å; S264-A267 PolarHBondContact O-N 3.12Å; S264-A267 WeakPolarHBondContact OG-CB 3.36Å; S264-A267 PolarHBondContact OG-N 2.83Å; A267-W269 PolarHBondContact O-N 3.42Å
268	P	90.4	Very high	82	Confident	4 Å²	4	44.6 Å²	44.6	3%	0.026	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-64.1	-25.4	178	-20.5	34.3	0	0	0	113	T254 Y262 F265 Q266 F373 M478 M481	T254-P268 HydrophobicContact CG2-CG 4.25Å; Y262-P268 HydrophobicContact CD1-CG 4.44Å; F265-P268 WeakPolarHBondContact O-CD 3.34Å; Q266-P268 VanDerWaalsContact C-CD 3.46Å; P268-F373 HydrophobicContact CB-CE1 4Å; P268-F373 HydrophobicContact CB-CZ 4.42Å; P268-F373 HydrophobicContact CG-CE1 4.01Å; P268-F373 HydrophobicContact CG-CZ 4.11Å; P268-M478 HydrophobicContact CB-CG 4.36Å; P268-M478 HydrophobicContact CG-CG 3.96Å; P268-M481 HydrophobicContact CB-CE 4.47Å; P268-M481 HydrophobicContact CB-CG 4.46Å; P268-M481 WeakPolarHBondContact O-CB 3.07Å; P268-M481 WeakPolarHBondContact O-CG 3.32Å
269	W	91.3	Very high	82.1	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.008	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-98.7	13.7	-169.4	-49.4	114.4	0	0	0	113.5	M241 A252 T254 F265 Q266 A267 S271 L272 I371 F373 M481 L485	M241-W269 HydrophobicContact CE-CB 3.45Å; M241-W269 VanDerWaalsContact CE-CB 3.45Å; M241-W269 HydrophobicContact CE-CG 4.46Å; M241-W269 HydrophobicContact SD-CB 4.14Å; A252-W269 HydrophobicContact CB-CD2 3.75Å; A252-W269 HydrophobicContact CB-CE3 4.43Å; A252-W269 HydrophobicContact CB-CG 3.76Å; A252-W269 HydrophobicContact CB-CZ2 4.31Å; T254-W269 PolarHBondContact OG1-NE1 3.39Å; F265-W269 PolarHBondContact O-NE1 3.13Å; Q266-W269 PolarHBondContact O-N 2.81Å; A267-W269 PolarHBondContact O-N 3.42Å; W269-S271 PolarHBondContact O-N 2.95Å; W269-L272 VanDerWaalsContact O-CB 3.22Å; W269-L272 WeakPolarHBondContact O-CB 3.24Å; W269-L272 PolarHBondContact O-N 3.39Å; W269-L272 VanDerWaalsContact O-N 3.09Å; W269-I371 HydrophobicContact CE3-CD1 4.49Å; W269-I371 HydrophobicContact CH2-CD1 4.45Å; W269-I371 HydrophobicContact CH2-CG1 3.87Å; W269-I371 HydrophobicContact CZ3-CD1 3.76Å; W269-I371 HydrophobicContact CZ3-CG1 3.66Å; W269-I371 HydrophobicContact CZ3-CG2 4.33Å; W269-F373 AromaticContact CH2-CD1 3.67Å; W269-F373 HydrophobicContact CH2-CD1 3.67Å; W269-F373 HydrophobicContact CH2-CE1 4.3Å; W269-F373 AromaticContact CZ2-CD1 3.51Å; W269-F373 HydrophobicContact CZ2-CD1 3.51Å; W269-F373 AromaticContact CZ2-CE1 3.76Å; W269-F373 HydrophobicContact CZ2-CE1 3.76Å; W269-M481 HydrophobicContact CE3-CG 4.3Å; W269-M481 HydrophobicContact CE3-SD 4.25Å; W269-M481 HydrophobicContact CH2-CE 3.88Å; W269-M481 HydrophobicContact CH2-SD 4.33Å; W269-M481 HydrophobicContact CZ3-CE 3.82Å; W269-M481 HydrophobicContact CZ3-CG 4.32Å; W269-M481 HydrophobicContact CZ3-SD 3.69Å; W269-L485 HydrophobicContact CZ3-CD2 4.4Å
270	S	85.8	Confident	82.6	Confident	67 Å²	67	38.7 Å²	38.7	47%	0.469	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-30.9	-173.7	65.1	0	0	0	0	114.2	K493	S270-K493 WeakPolarHBondContact O-CE 3.17Å; S270-K493 PolarHBondContact O-NZ 3.06Å
271	S	84.6	Confident	83.1	Confident	17 Å²	17	35.9 Å²	35.9	12%	0.119	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.5	178.5	54	0	0	0	0	114.3	W269 G273 D482 L485 T492 K493	W269-S271 PolarHBondContact O-N 2.95Å; S271-G273 PolarHBondContact O-N 2.83Å; S271-D482 WeakPolarHBondContact CB-OD1 3.4Å; S271-D482 PolarHBondContact OG-OD1 2.91Å; S271-L485 WeakPolarHBondContact OG-CD1 3.48Å; S271-T492 CarbonylContact O-C 3.56Å; S271-T492 WeakPolarHBondContact O-CA 3.18Å; S271-T492 WeakPolarHBondContact O-CB 3.28Å; S271-K493 PolarHBondContact O-N 2.92Å
272	L	83.9	Confident	83.8	Confident	10 Å²	10	29 Å²	29	5%	0.052	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-60.4	121.9	179	-167.4	65	0	0	0	110	T250 W269 K278 L485 V490	T250-L272 HydrophobicContact CG2-CD2 4.23Å; W269-L272 VanDerWaalsContact O-CB 3.22Å; W269-L272 WeakPolarHBondContact O-CB 3.24Å; W269-L272 PolarHBondContact O-N 3.39Å; W269-L272 VanDerWaalsContact O-N 3.09Å; L272-K278 HydrophobicContact CD2-CD 3.94Å; L272-K278 HydrophobicContact CD2-CG 4.28Å; L272-K278 HydrophobicContact CG-CD 4.32Å; L272-K278 PolarHBondContact O-NZ 2.81Å; L272-L485 HydrophobicContact CD1-CD1 4.35Å; L272-V490 HydrophobicContact CD1-CG1 3.47Å; L272-V490 VanDerWaalsContact CD1-CG1 3.47Å
273	G	71.9	Confident	84.3	Confident	7 Å²	7	27 Å²	27	7%	0.072	16%	0.163	C	C	.	.			trans	-62.4	144	-165.3	0	0	0	0	0	113.5	S271 C275 K278 P491	S271-G273 PolarHBondContact O-N 2.83Å; G273-C275 PolarHBondContact O-N 3Å; G273-K278 WeakPolarHBondContact O-CE 3.33Å; G273-K278 PolarHBondContact O-NZ 3.45Å; G273-P491 WeakPolarHBondContact CA-O 3.47Å; G273-P491 PolarHBondContact N-O 3.06Å
274	E	62	Low	84.7	Confident	149 Å²	149	24.2 Å²	24.2	70%	0.696	14%	0.143	S	C	*	.	S	Bend	trans	-63.8	-7.9	-160.1	-52.7	-161.7	143.8	0	0	116.8	K493	E274-K493 HydrophobicContact CG-CD 4.18Å; E274-K493 HydrophobicContact CG-CG 3.82Å
275	C	57.8	Low	84.8	Confident	71 Å²	71	22.7 Å²	22.7	48%	0.48	13%	0.133	S	C	.	.			trans	-78.5	134.1	180	-56.3	0	0	0	0	112.1	G273	G273-C275 PolarHBondContact O-N 3Å
276	G	64.6	Low	84.9	Confident	6 Å²	6	28 Å²	28	6%	0.062	15%	0.152	C	C	.	.	S	Bend	trans	97.5	157.3	171.4	0	0	0	0	0	113.7	S242 H246	S242-G276 PolarHBondContact OG-O 2.89Å; H246-G276 VanDerWaalsContact CD2-CA 3.48Å; H246-G276 WeakPolarHBondContact CD2-CA 3.28Å; H246-G276 PolarHBondContact CE1-N 2.85Å; H246-G276 VanDerWaalsContact CG-CA 3.45Å
277	E	77.2	Confident	84.9	Confident	9 Å²	9	27.3 Å²	27.3	4%	0.042	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	120.2	176.4	-175.8	179.4	170.4	0	0	108.1	G220 G244 H246 H248 L249 T250 F279 R366	G220-E277 WeakPolarHBondContact CA-OE1 3.4Å; G244-E277 WeakPolarHBondContact O-CB 3.01Å; G244-E277 WeakPolarHBondContact O-CG 3.35Å; H246-E277 HydrophobicContact CB-CB 4.12Å; H246-E277 PolarHBondContact CD2-N 3.41Å; H248-E277 PolarHBondContact O-N 3.44Å; L249-E277 CarbonylContact C-O 3.46Å; L249-E277 WeakPolarHBondContact CA-O 3.38Å; L249-E277 HydrophobicContact CD2-CB 3.88Å; L249-E277 HydrophobicContact CD2-CG 3.78Å; T250-E277 PolarHBondContact N-O 2.85Å; E277-F279 HydrophobicContact CG-CD2 4.48Å; E277-F279 HydrophobicContact CG-CE2 3.63Å; E277-F279 HydrophobicContact CG-CZ 4.1Å; E277-F279 VanDerWaalsContact OE1-CE2 3.29Å; E277-F279 WeakPolarHBondContact OE1-CE2 3.43Å; E277-F279 WeakPolarHBondContact OE1-CZ 3.48Å; E277-R366 IonicContact OE2-CZ 2.69Å; E277-R366 IonicContact OE2-NH1 3.46Å; E277-R366 PolarHBondContact OE2-NH1 2.81Å; E277-R366 IonicContact OE2-NH2 3.92Å; E277-R366 PolarHBondContact OE2-NH2 2.85Å
278	K	86.1	Confident	85	Confident	13 Å²	13	26.4 Å²	26.4	6%	0.057	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.2	-172.9	-61.2	162.6	-169.1	168.8	0	111.8	M241 S242 T250 L272 G273	M241-K278 HydrophobicContact CB-CB 3.99Å; M241-K278 PolarHBondContact N-O 3.46Å; S242-K278 PolarHBondContact OG-N 3.42Å; S242-K278 VanDerWaalsContact OG-N 3.13Å; T250-K278 CarbonylContact O-C 3.07Å; T250-K278 VanDerWaalsContact O-CA 3.32Å; T250-K278 WeakPolarHBondContact O-CA 3.36Å; L272-K278 HydrophobicContact CD2-CD 3.94Å; L272-K278 HydrophobicContact CD2-CG 4.28Å; L272-K278 HydrophobicContact CG-CD 4.32Å; L272-K278 PolarHBondContact O-NZ 2.81Å; G273-K278 WeakPolarHBondContact O-CE 3.33Å; G273-K278 PolarHBondContact O-NZ 3.45Å
279	F	89.8	Confident	85.1	Confident	1 Å²	1	32.8 Å²	32.8	0%	0.004	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144	172.6	-69	-81.5	0	0	0	110	L221 T222 F238 Q239 P240 L249 T250 I251 A252 E277	L221-F279 HydrophobicContact CB-CD1 3.95Å; L221-F279 HydrophobicContact CB-CD2 4.2Å; L221-F279 HydrophobicContact CB-CE1 3.85Å; L221-F279 HydrophobicContact CB-CE2 4.09Å; L221-F279 HydrophobicContact CB-CG 4.13Å; L221-F279 HydrophobicContact CB-CZ 3.93Å; L221-F279 HydrophobicContact CD1-CD2 4.2Å; L221-F279 HydrophobicContact CD1-CG 4.38Å; T222-F279 WeakPolarHBondContact OG1-CE1 3.34Å; F238-F279 HydrophobicContact CB-CB 4.49Å; F238-F279 HydrophobicContact CB-CD1 3.92Å; F238-F279 HydrophobicContact CB-CG 4.43Å; F238-F279 HydrophobicContact CD1-CB 4.21Å; Q239-F279 CarbonylContact O-C 3.48Å; Q239-F279 WeakPolarHBondContact O-CA 3.15Å; P240-F279 HydrophobicContact CB-CD1 4.31Å; P240-F279 HydrophobicContact CB-CE1 3.95Å; L249-F279 HydrophobicContact CD2-CD2 3.99Å; L249-F279 HydrophobicContact CD2-CE2 3.52Å; T250-F279 PolarHBondContact O-N 3.2Å; I251-F279 CarbonylContact C-O 3.6Å; I251-F279 WeakPolarHBondContact CA-O 3.46Å; I251-F279 HydrophobicContact CG1-CB 4.46Å; A252-F279 PolarHBondContact N-O 2.73Å; E277-F279 HydrophobicContact CG-CD2 4.48Å; E277-F279 HydrophobicContact CG-CE2 3.63Å; E277-F279 HydrophobicContact CG-CZ 4.1Å; E277-F279 VanDerWaalsContact OE1-CE2 3.29Å; E277-F279 WeakPolarHBondContact OE1-CE2 3.43Å; E277-F279 WeakPolarHBondContact OE1-CZ 3.48Å
280	C	93.1	Very high	85.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.1	163.8	-161.4	0	0	0	0	108.3	Q239 M241 A252 F265 Q266 V282	Q239-C280 PolarHBondContact N-O 3.33Å; Q239-C280 PolarHBondContact O-N 3.03Å; M241-C280 HydrophobicContact CG-CB 4Å; M241-C280 HydrophobicContact SD-CB 3.95Å; A252-C280 WeakPolarHBondContact O-CA 3.34Å; F265-C280 WeakPolarHBondContact CB-SG 3.4Å; F265-C280 PolarHBondContact O-SG 3.35Å; Q266-C280 HydrophobicContact CG-CB 3.88Å; C280-V282 PolarHBondContact O-N 3.04Å
281	L	94.9	Very high	85.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	118.8	174.2	-177.1	65.4	0	0	0	109.3	F236 F238 I251 A252 V253 F265 W283 V350 L354 V379	F236-L281 HydrophobicContact CD1-CD1 4.28Å; F236-L281 HydrophobicContact CD2-CD1 4.09Å; F236-L281 HydrophobicContact CE1-CD1 3.93Å; F236-L281 HydrophobicContact CE2-CD1 3.72Å; F236-L281 HydrophobicContact CE2-CD2 4.09Å; F236-L281 HydrophobicContact CE2-CG 4.48Å; F236-L281 HydrophobicContact CG-CD1 4.37Å; F236-L281 HydrophobicContact CZ-CD1 3.63Å; F238-L281 HydrophobicContact CD1-CD1 4.04Å; F238-L281 HydrophobicContact CE1-CD1 3.76Å; F238-L281 HydrophobicContact CZ-CD1 4.1Å; I251-L281 HydrophobicContact CG2-CB 4.25Å; A252-L281 PolarHBondContact O-N 3.36Å; V253-L281 HydrophobicContact CG1-CB 4.45Å; V253-L281 HydrophobicContact CG1-CD2 4.12Å; V253-L281 HydrophobicContact CG2-CB 4.16Å; V253-L281 HydrophobicContact CG2-CD2 4.24Å; F265-L281 VanDerWaalsContact CD1-O 3.26Å; F265-L281 WeakPolarHBondContact CD1-O 3.37Å; L281-W283 HydrophobicContact CG-CB 4.48Å; L281-V350 HydrophobicContact CD2-CG1 4.16Å; L281-L354 HydrophobicContact CD2-CD2 4.35Å; L281-V379 HydrophobicContact CD2-CG1 4.19Å
282	V	94.7	Very high	85.6	Confident	13 Å²	13	33.1 Å²	33.1	8%	0.079	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	120.3	169.9	176.2	0	0	0	0	107.3	E235 F236 E237 Q239 F265 C280	E235-V282 HydrophobicContact CG-CG1 4.24Å; F236-V282 WeakPolarHBondContact CA-O 3.45Å; E237-V282 HydrophobicContact CB-CB 4.27Å; E237-V282 PolarHBondContact N-O 3.18Å; E237-V282 PolarHBondContact O-N 3.5Å; Q239-V282 HydrophobicContact CB-CG2 4.07Å; F265-V282 HydrophobicContact CB-CG2 4.47Å; F265-V282 HydrophobicContact CD2-CB 4.38Å; F265-V282 HydrophobicContact CD2-CG1 4.15Å; F265-V282 HydrophobicContact CD2-CG2 3.93Å; F265-V282 HydrophobicContact CE2-CB 4.31Å; F265-V282 HydrophobicContact CE2-CG1 3.7Å; F265-V282 HydrophobicContact CE2-CG2 4.33Å; F265-V282 HydrophobicContact CG-CG2 4.15Å; F265-V282 HydrophobicContact CZ-CB 4.5Å; F265-V282 HydrophobicContact CZ-CG1 3.99Å; C280-V282 PolarHBondContact O-N 3.04Å
283	W	95	Very high	85.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	137.5	-178.7	67.1	-74.3	0	0	0	110.8	E235 T254 F265 L281 S285 L288 V350 L375 V379	E235-W283 WeakPolarHBondContact O-CA 3.42Å; T254-W283 PolarHBondContact O-NE1 2.76Å; F265-W283 AromaticContact CE1-CD1 3.95Å; F265-W283 WeakPolarHBondContact CZ-O 3.08Å; L281-W283 HydrophobicContact CG-CB 4.48Å; W283-S285 PolarHBondContact O-N 3.23Å; W283-L288 HydrophobicContact CD2-CD1 3.98Å; W283-L288 HydrophobicContact CE3-CD1 4.49Å; W283-L288 HydrophobicContact CG-CD1 4.36Å; W283-L288 HydrophobicContact CH2-CD1 4.48Å; W283-L288 HydrophobicContact CH2-CD2 3.63Å; W283-L288 HydrophobicContact CH2-CG 4.47Å; W283-L288 HydrophobicContact CZ2-CD1 3.93Å; W283-L288 HydrophobicContact CZ2-CD2 3.73Å; W283-L288 HydrophobicContact CZ2-CG 4.37Å; W283-L288 HydrophobicContact CZ3-CD2 4.09Å; W283-L288 WeakPolarHBondContact O-CD1 3.44Å; W283-V350 HydrophobicContact CB-CG1 3.95Å; W283-V350 HydrophobicContact CB-CG2 4.37Å; W283-V350 HydrophobicContact CD2-CG1 4.23Å; W283-V350 HydrophobicContact CE3-CB 4.29Å; W283-V350 HydrophobicContact CE3-CG1 4.29Å; W283-V350 HydrophobicContact CE3-CG2 3.9Å; W283-V350 HydrophobicContact CG-CG1 4.12Å; W283-L375 HydrophobicContact CH2-CB 3.92Å; W283-L375 HydrophobicContact CZ2-CB 4.11Å; W283-V379 HydrophobicContact CD2-CG2 4.23Å; W283-V379 HydrophobicContact CE3-CG2 4.38Å; W283-V379 HydrophobicContact CH2-CG2 3.93Å; W283-V379 HydrophobicContact CZ2-CG2 3.77Å; W283-V379 HydrophobicContact CZ3-CG2 4.25Å
284	E	93.8	Very high	86.5	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.014	18%	0.181	C	C	.	.			trans	42.6	44.2	171.1	-60.5	-60.6	139.9	0	0	114.7	I233 E234 E235 R286 F287 L288 R346 V350	I233-E284 WeakPolarHBondContact CA-OE1 3.48Å; I233-E284 WeakPolarHBondContact CG2-OE1 3.41Å; E234-E284 PolarHBondContact N-OE1 2.77Å; E235-E284 PolarHBondContact N-OE1 2.84Å; E235-E284 PolarHBondContact O-N 2.82Å; E284-R286 PolarHBondContact O-N 3.05Å; E284-R286 VanDerWaalsContact O-N 3.08Å; E284-F287 HydrophobicContact CB-CB 4.45Å; E284-F287 HydrophobicContact CB-CD2 4.04Å; E284-F287 PolarHBondContact O-N 3.43Å; E284-F287 WeakPolarHBondContact OE2-CD2 3.36Å; E284-F287 WeakPolarHBondContact OE2-CE2 3.49Å; E284-L288 PolarHBondContact O-N 2.89Å; E284-R346 HydrophobicContact CG-CB 4.23Å; E284-R346 HydrophobicContact CG-CG 4.48Å; E284-R346 IonicContact OE2-NE 3.78Å; E284-V350 HydrophobicContact CG-CG2 4.29Å
285	S	92.7	Very high	87.6	Confident	21 Å²	21	29.2 Å²	29.2	15%	0.147	15%	0.149	C	C	.	.	H	α-helix	trans	-55.6	-38.1	-166.6	-55	0	0	0	0	113.2	E235 F265 W283 L288 R289	E235-S285 VanDerWaalsContact CD-OG 3.27Å; E235-S285 PolarHBondContact OE1-OG 2.81Å; E235-S285 WeakPolarHBondContact OE2-CA 3.3Å; E235-S285 WeakPolarHBondContact OE2-CB 3.49Å; E235-S285 PolarHBondContact OE2-N 3.24Å; E235-S285 PolarHBondContact OE2-OG 2.75Å; F265-S285 WeakPolarHBondContact CE2-OG 3.17Å; F265-S285 VanDerWaalsContact CZ-OG 3.26Å; F265-S285 WeakPolarHBondContact CZ-OG 3.29Å; W283-S285 PolarHBondContact O-N 3.23Å; S285-L288 PolarHBondContact O-N 3.25Å; S285-R289 WeakPolarHBondContact O-CB 3.24Å; S285-R289 VanDerWaalsContact O-CG 3.28Å; S285-R289 WeakPolarHBondContact O-CG 3.35Å; S285-R289 PolarHBondContact O-N 2.87Å
286	R	91.4	Very high	88.9	Confident	124 Å²	124	28 Å²	28	47%	0.468	14%	0.139	S	C	.	.	H	α-helix	trans	-60.1	-48.1	178.5	70.5	-174.6	-163.7	-164.8	1.8	111.4	E234 E284 L288 R289 D290	E234-R286 IonicContact OE1-CZ 2.98Å; E234-R286 IonicContact OE1-NH2 2.77Å; E234-R286 PolarHBondContact OE1-NH2 3.32Å; E234-R286 IonicContact OE2-CZ 3.48Å; E234-R286 IonicContact OE2-NE 3.07Å; E234-R286 IonicContact OE2-NH1 2.99Å; E234-R286 PolarHBondContact OE2-NH1 3.47Å; E234-R286 IonicContact OE2-NH2 3.26Å; E234-R286 PolarHBondContact OE2-NH2 3.41Å; E284-R286 PolarHBondContact O-N 3.05Å; E284-R286 VanDerWaalsContact O-N 3.08Å; R286-L288 PolarHBondContact O-N 3.04Å; R286-R289 PolarHBondContact O-N 3.31Å; R286-D290 VanDerWaalsContact O-CG 3.25Å; R286-D290 PolarHBondContact O-N 2.88Å
287	F	91.4	Very high	89.7	Confident	37 Å²	37	31 Å²	31	16%	0.162	16%	0.16	C	C	.	.	H	α-helix	trans	-70.4	-37.3	-177.9	-64.1	-73.7	0	0	0	111.1	E284 R289 D290 L291 V342 C343	E284-F287 HydrophobicContact CB-CB 4.45Å; E284-F287 HydrophobicContact CB-CD2 4.04Å; E284-F287 PolarHBondContact O-N 3.43Å; E284-F287 WeakPolarHBondContact OE2-CD2 3.36Å; E284-F287 WeakPolarHBondContact OE2-CE2 3.49Å; F287-R289 VanDerWaalsContact C-N 3.32Å; F287-R289 PolarHBondContact O-N 2.83Å; F287-D290 PolarHBondContact O-N 3.39Å; F287-L291 WeakPolarHBondContact O-CB 3.38Å; F287-L291 PolarHBondContact O-N 3.02Å; F287-V342 HydrophobicContact CD1-CG1 3.6Å; F287-V342 HydrophobicContact CE1-CG1 3.64Å; F287-V342 HydrophobicContact CG-CG1 4.24Å; F287-V342 HydrophobicContact CZ-CG1 4.29Å; F287-C343 PolarHBondContact O-SG 3.45Å
288	L	92.9	Very high	89.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.5	-32.2	175.8	-66.1	-174.8	0	0	0	113.5	L257 F265 W283 E284 S285 R286 G292 L375	L257-L288 HydrophobicContact CD1-CB 4.28Å; L257-L288 HydrophobicContact CG-CB 4.16Å; L257-L288 PolarHBondContact N-O 2.92Å; F265-L288 HydrophobicContact CE1-CD1 3.62Å; F265-L288 HydrophobicContact CZ-CD1 3.99Å; W283-L288 HydrophobicContact CD2-CD1 3.98Å; W283-L288 HydrophobicContact CE3-CD1 4.49Å; W283-L288 HydrophobicContact CG-CD1 4.36Å; W283-L288 HydrophobicContact CH2-CD1 4.48Å; W283-L288 HydrophobicContact CH2-CD2 3.63Å; W283-L288 HydrophobicContact CH2-CG 4.47Å; W283-L288 HydrophobicContact CZ2-CD1 3.93Å; W283-L288 HydrophobicContact CZ2-CD2 3.73Å; W283-L288 HydrophobicContact CZ2-CG 4.37Å; W283-L288 HydrophobicContact CZ3-CD2 4.09Å; W283-L288 WeakPolarHBondContact O-CD1 3.44Å; E284-L288 PolarHBondContact O-N 2.89Å; S285-L288 PolarHBondContact O-N 3.25Å; R286-L288 PolarHBondContact O-N 3.04Å; L288-G292 PolarHBondContact O-N 2.81Å; L288-L375 HydrophobicContact CD2-CD1 4.5Å
289	R	92.9	Very high	89.4	Confident	138 Å²	138	32.4 Å²	32.4	52%	0.521	17%	0.168	S	C	.	.	H	α-helix	trans	-72.7	-42.9	173.4	-74.3	175.1	70.7	150.3	2.5	111.5	L257 S285 R286 F287 L291 G292 S293	L257-R289 HydrophobicContact CB-CG 3.72Å; L257-R289 HydrophobicContact CD1-CG 3.83Å; L257-R289 HydrophobicContact CG-CG 4.45Å; S285-R289 WeakPolarHBondContact O-CB 3.24Å; S285-R289 VanDerWaalsContact O-CG 3.28Å; S285-R289 WeakPolarHBondContact O-CG 3.35Å; S285-R289 PolarHBondContact O-N 2.87Å; R286-R289 PolarHBondContact O-N 3.31Å; F287-R289 VanDerWaalsContact C-N 3.32Å; F287-R289 PolarHBondContact O-N 2.83Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 2.85Å; R289-G292 PolarHBondContact O-N 3.28Å; R289-S293 WeakPolarHBondContact O-CB 3.36Å; R289-S293 PolarHBondContact O-N 2.77Å
290	D	90.7	Very high	88.9	Confident	93 Å²	93	37.4 Å²	37.4	50%	0.497	19%	0.194	S	C	.	.	H	α-helix	trans	-60.1	-44	175.6	-66.4	-18.8	0	0	0	110.4	R286 F287 S293 A294	R286-D290 VanDerWaalsContact O-CG 3.25Å; R286-D290 PolarHBondContact O-N 2.88Å; F287-D290 PolarHBondContact O-N 3.39Å; D290-S293 PolarHBondContact O-N 3.48Å; D290-A294 WeakPolarHBondContact O-CB 3.36Å; D290-A294 PolarHBondContact O-N 3.43Å
291	L	90.4	Very high	88.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.3	-50.1	174.9	174.2	61.2	0	0	0	112.2	W256 F287 R289 S293 A294 M295 I336 W340 C343 L375	W256-L291 HydrophobicContact CB-CD2 4.37Å; F287-L291 WeakPolarHBondContact O-CB 3.38Å; F287-L291 PolarHBondContact O-N 3.02Å; R289-L291 VanDerWaalsContact C-N 3.29Å; R289-L291 PolarHBondContact O-N 2.85Å; L291-S293 VanDerWaalsContact C-N 3.29Å; L291-S293 PolarHBondContact O-N 2.98Å; L291-A294 PolarHBondContact O-N 3.1Å; L291-M295 HydrophobicContact CD1-CG 3.88Å; L291-M295 HydrophobicContact CD1-SD 3.79Å; L291-M295 HydrophobicContact CD2-SD 4.23Å; L291-M295 HydrophobicContact CG-CG 4.3Å; L291-M295 HydrophobicContact CG-SD 3.68Å; L291-M295 VanDerWaalsContact O-CG 3.3Å; L291-M295 WeakPolarHBondContact O-CG 3.42Å; L291-M295 PolarHBondContact O-N 3.25Å; L291-I336 HydrophobicContact CD1-CG2 4.4Å; L291-W340 HydrophobicContact CD1-CB 4.32Å; L291-W340 HydrophobicContact CD1-CE3 3.75Å; L291-W340 HydrophobicContact CD2-CE3 4.15Å; L291-W340 HydrophobicContact CD2-CZ3 4.44Å; L291-C343 HydrophobicContact CD2-CB 4.07Å; L291-L375 HydrophobicContact CD2-CD1 3.25Å; L291-L375 HydrophobicContact CD2-CG 4.36Å
292	G	89.9	Confident	86.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-34.4	-179.3	0	0	0	0	0	113.1	L257 L288 R289 T296	L257-G292 WeakPolarHBondContact O-CA 3.31Å; L288-G292 PolarHBondContact O-N 2.81Å; R289-G292 PolarHBondContact O-N 3.28Å; G292-T296 WeakPolarHBondContact O-CB 3.25Å; G292-T296 PolarHBondContact O-N 2.97Å; G292-T296 PolarHBondContact O-OG1 2.85Å
293	S	88.6	Confident	86	Confident	69 Å²	69	43.5 Å²	43.5	48%	0.483	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-46.6	171.5	-174.9	0	0	0	0	111.5	R289 D290 L291 T296 S297	R289-S293 WeakPolarHBondContact O-CB 3.36Å; R289-S293 PolarHBondContact O-N 2.77Å; D290-S293 PolarHBondContact O-N 3.48Å; L291-S293 VanDerWaalsContact C-N 3.29Å; L291-S293 PolarHBondContact O-N 2.98Å; S293-T296 PolarHBondContact O-N 2.85Å; S293-S297 WeakPolarHBondContact O-CB 3.27Å; S293-S297 PolarHBondContact O-N 2.8Å; S293-S297 PolarHBondContact O-OG 3.1Å
294	A	86.7	Confident	85	Confident	12 Å²	12	46.7 Å²	46.7	10%	0.099	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-45.6	178.8	0	0	0	0	0	111.4	D290 L291 T296 S297 L298 I336 P339	D290-A294 WeakPolarHBondContact O-CB 3.36Å; D290-A294 PolarHBondContact O-N 3.43Å; L291-A294 PolarHBondContact O-N 3.1Å; A294-T296 VanDerWaalsContact C-N 3.34Å; A294-T296 PolarHBondContact O-N 3.42Å; A294-S297 PolarHBondContact O-N 2.97Å; A294-L298 PolarHBondContact O-N 3.05Å; A294-I336 HydrophobicContact CB-CD1 4.48Å; A294-I336 HydrophobicContact CB-CG1 3.54Å; A294-I336 WeakPolarHBondContact O-CD1 3.37Å; A294-P339 HydrophobicContact CB-CG 4.42Å
295	M	85.3	Confident	83.7	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-61.5	-39.4	176.3	-68.7	167.3	76.6	0	0	112.9	W256 L291 L298 L299 L435 L475	W256-M295 HydrophobicContact CB-SD 4.49Å; W256-M295 HydrophobicContact CD2-CE 4.34Å; W256-M295 HydrophobicContact CE3-CE 4.32Å; W256-M295 HydrophobicContact CG-SD 4.34Å; L291-M295 HydrophobicContact CD1-CG 3.88Å; L291-M295 HydrophobicContact CD1-SD 3.79Å; L291-M295 HydrophobicContact CD2-SD 4.23Å; L291-M295 HydrophobicContact CG-CG 4.3Å; L291-M295 HydrophobicContact CG-SD 3.68Å; L291-M295 VanDerWaalsContact O-CG 3.3Å; L291-M295 WeakPolarHBondContact O-CG 3.42Å; L291-M295 PolarHBondContact O-N 3.25Å; M295-L298 PolarHBondContact O-N 3.1Å; M295-L299 PolarHBondContact O-N 3.22Å; M295-L435 HydrophobicContact CE-CD2 3.37Å; M295-L475 HydrophobicContact CB-CD1 4.41Å; M295-L475 HydrophobicContact CB-CD2 4.06Å; M295-L475 HydrophobicContact CE-CD2 3.34Å; M295-L475 HydrophobicContact CE-CG 4.37Å; M295-L475 HydrophobicContact SD-CD2 4.25Å
296	T	84	Confident	82.5	Confident	45 Å²	45	53.7 Å²	53.7	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-66.8	-46.1	176.8	-53.9	0	0	0	0	110.5	G292 S293 A294 L298 L299 D300	G292-T296 WeakPolarHBondContact O-CB 3.25Å; G292-T296 PolarHBondContact O-N 2.97Å; G292-T296 PolarHBondContact O-OG1 2.85Å; S293-T296 PolarHBondContact O-N 2.85Å; A294-T296 VanDerWaalsContact C-N 3.34Å; A294-T296 PolarHBondContact O-N 3.42Å; T296-L298 VanDerWaalsContact C-N 3.29Å; T296-L298 PolarHBondContact O-N 2.95Å; T296-L299 PolarHBondContact O-N 2.79Å; T296-L299 VanDerWaalsContact O-N 3.16Å; T296-D300 PolarHBondContact O-N 2.8Å
297	S	82.8	Confident	81.6	Confident	70 Å²	70	50.1 Å²	50.1	49%	0.49	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-38.4	177.5	-56	0	0	0	0	112.1	S293 A294 G301	S293-S297 WeakPolarHBondContact O-CB 3.27Å; S293-S297 PolarHBondContact O-N 2.8Å; S293-S297 PolarHBondContact O-OG 3.1Å; A294-S297 PolarHBondContact O-N 2.97Å; S297-G301 PolarHBondContact O-N 2.84Å
298	L	78.9	Confident	80.4	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-65.3	-44.6	174.8	174.9	58.4	0	0	0	111.9	A294 M295 T296 G301 L302 A332 I336 W434 L439	A294-L298 PolarHBondContact O-N 3.05Å; M295-L298 PolarHBondContact O-N 3.1Å; T296-L298 VanDerWaalsContact C-N 3.29Å; T296-L298 PolarHBondContact O-N 2.95Å; L298-G301 PolarHBondContact O-N 3.23Å; L298-L302 HydrophobicContact CD1-CD1 4.08Å; L298-L302 HydrophobicContact CD1-CG 4.04Å; L298-L302 HydrophobicContact CG-CD1 4.08Å; L298-L302 HydrophobicContact CG-CG 4.46Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.4Å; L298-L302 PolarHBondContact O-N 2.74Å; L298-A332 HydrophobicContact CD1-CB 3.1Å; L298-I336 HydrophobicContact CB-CD1 3.23Å; L298-I336 HydrophobicContact CD2-CD1 3.15Å; L298-I336 HydrophobicContact CG-CD1 3.73Å; L298-W434 HydrophobicContact CD2-CH2 3.4Å; L298-W434 VanDerWaalsContact CD2-CH2 3.4Å; L298-W434 HydrophobicContact CD2-CZ3 3.9Å; L298-W434 HydrophobicContact CG-CH2 3.86Å; L298-L439 HydrophobicContact CD2-CD1 3.97Å
299	L	77.4	Confident	79.1	Confident	40 Å²	40	56.2 Å²	56.2	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-61.6	-45.4	175.6	-79.5	-169.7	0	0	0	112.2	M295 T296 G301 L302 V303 W434 L475	M295-L299 PolarHBondContact O-N 3.22Å; T296-L299 PolarHBondContact O-N 2.79Å; T296-L299 VanDerWaalsContact O-N 3.16Å; L299-G301 VanDerWaalsContact C-N 3.29Å; L299-G301 PolarHBondContact O-N 3.34Å; L299-L302 PolarHBondContact O-N 3.26Å; L299-V303 WeakPolarHBondContact O-CB 3.38Å; L299-V303 VanDerWaalsContact O-CG2 3.28Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 3.22Å; L299-W434 HydrophobicContact CD2-CH2 4.5Å; L299-W434 HydrophobicContact CD2-CZ2 3.4Å; L299-W434 HydrophobicContact CG-CZ2 4.28Å; L299-L475 HydrophobicContact CD1-CB 3.97Å; L299-L475 HydrophobicContact CD1-CD1 3.15Å; L299-L475 HydrophobicContact CD1-CG 3.66Å; L299-L475 HydrophobicContact CG-CD1 3.96Å
300	D	80.1	Confident	77.6	Confident	105 Å²	105	52 Å²	52	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-62.6	-39.9	178.8	-68.1	-20.7	0	0	0	111	T296 V303 S304	T296-D300 PolarHBondContact O-N 2.8Å; D300-V303 PolarHBondContact O-N 2.93Å; D300-S304 VanDerWaalsContact O-CB 3.27Å; D300-S304 WeakPolarHBondContact O-CB 3.41Å; D300-S304 PolarHBondContact O-N 3.29Å
301	G	74.9	Confident	76.1	Confident	30 Å²	30	54 Å²	54	31%	0.309	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-47.8	172.4	0	0	0	0	0	112.7	S297 L298 L299 S304 M305	S297-G301 PolarHBondContact O-N 2.84Å; L298-G301 PolarHBondContact O-N 3.23Å; L299-G301 VanDerWaalsContact C-N 3.29Å; L299-G301 PolarHBondContact O-N 3.34Å; G301-S304 PolarHBondContact O-N 3.39Å; G301-M305 WeakPolarHBondContact O-CB 3.41Å; G301-M305 VanDerWaalsContact O-CG 3.27Å; G301-M305 WeakPolarHBondContact O-CG 3.39Å; G301-M305 PolarHBondContact O-N 3.39Å
302	L	71.4	Confident	74.7	Confident	15 Å²	15	59.4 Å²	59.4	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-43.1	178	-72.1	172.5	0	0	0	112	L298 L299 M305 V306 L329 W434	L298-L302 HydrophobicContact CD1-CD1 4.08Å; L298-L302 HydrophobicContact CD1-CG 4.04Å; L298-L302 HydrophobicContact CG-CD1 4.08Å; L298-L302 HydrophobicContact CG-CG 4.46Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.4Å; L298-L302 PolarHBondContact O-N 2.74Å; L299-L302 PolarHBondContact O-N 3.26Å; L302-M305 PolarHBondContact O-N 3.19Å; L302-V306 VanDerWaalsContact O-CG2 3.32Å; L302-V306 WeakPolarHBondContact O-CG2 3.15Å; L302-V306 PolarHBondContact O-N 3.17Å; L302-L329 HydrophobicContact CD1-CD1 4.27Å; L302-L329 HydrophobicContact CD2-CD1 4.04Å; L302-W434 HydrophobicContact CD1-CE3 4.44Å; L302-W434 HydrophobicContact CD1-CH2 3.72Å; L302-W434 HydrophobicContact CD1-CZ2 3.95Å; L302-W434 HydrophobicContact CD1-CZ3 3.97Å
303	V	75.3	Confident	72.9	Confident	96 Å²	96	68.8 Å²	68.8	58%	0.582	39%	0.387	S	S	*	.	H	α-helix	trans	-63.5	-43.1	177	171	0	0	0	0	110.7	L299 D300 V306 A307	L299-V303 WeakPolarHBondContact O-CB 3.38Å; L299-V303 VanDerWaalsContact O-CG2 3.28Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 3.22Å; D300-V303 PolarHBondContact O-N 2.93Å; V303-V306 PolarHBondContact O-N 2.77Å; V303-A307 WeakPolarHBondContact O-CB 3.32Å; V303-A307 PolarHBondContact O-N 3.39Å
304	S	73.3	Confident	71.4	Confident	67 Å²	67	70.6 Å²	70.6	47%	0.469	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-44.6	175.3	-176.4	0	0	0	0	111.5	D300 G301 A307 Q308	D300-S304 VanDerWaalsContact O-CB 3.27Å; D300-S304 WeakPolarHBondContact O-CB 3.41Å; D300-S304 PolarHBondContact O-N 3.29Å; G301-S304 PolarHBondContact O-N 3.39Å; S304-A307 PolarHBondContact O-N 3.07Å; S304-Q308 VanDerWaalsContact O-CG 3.29Å; S304-Q308 WeakPolarHBondContact O-CG 3.4Å; S304-Q308 PolarHBondContact O-N 3Å
305	M	67.8	Low	69.5	Low	89 Å²	89	77.4 Å²	77.4	44%	0.438	44%	0.435	S	S	.	.	H	α-helix	trans	-62.3	-44	176	-73.1	-179.6	-177.4	0	0	112.3	G301 L302 A307 Q308 E309	G301-M305 WeakPolarHBondContact O-CB 3.41Å; G301-M305 VanDerWaalsContact O-CG 3.27Å; G301-M305 WeakPolarHBondContact O-CG 3.39Å; G301-M305 PolarHBondContact O-N 3.39Å; L302-M305 PolarHBondContact O-N 3.19Å; M305-A307 VanDerWaalsContact C-N 3.33Å; M305-A307 PolarHBondContact O-N 2.56Å; M305-Q308 PolarHBondContact O-N 2.86Å; M305-E309 WeakPolarHBondContact O-CB 3.48Å; M305-E309 PolarHBondContact O-N 2.9Å
306	V	66.3	Low	67.8	Low	82 Å²	82	84 Å²	84	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-61.8	-42	175.5	169.9	0	0	0	0	110.9	L302 V303 E309 A310 W325	L302-V306 VanDerWaalsContact O-CG2 3.32Å; L302-V306 WeakPolarHBondContact O-CG2 3.15Å; L302-V306 PolarHBondContact O-N 3.17Å; V303-V306 PolarHBondContact O-N 2.77Å; V306-E309 PolarHBondContact O-N 3.38Å; V306-A310 WeakPolarHBondContact O-CB 3.46Å; V306-A310 PolarHBondContact O-N 3.25Å; V306-W325 HydrophobicContact CG2-CZ3 4.33Å
307	A	71.8	Confident	66.3	Low	49 Å²	49	85 Å²	85	41%	0.405	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-43.2	176.2	0	0	0	0	0	111.7	V303 S304 M305 L311	V303-A307 WeakPolarHBondContact O-CB 3.32Å; V303-A307 PolarHBondContact O-N 3.39Å; S304-A307 PolarHBondContact O-N 3.07Å; M305-A307 VanDerWaalsContact C-N 3.33Å; M305-A307 PolarHBondContact O-N 2.56Å; A307-L311 WeakPolarHBondContact O-CD1 3.49Å; A307-L311 VanDerWaalsContact O-CG 3.3Å; A307-L311 WeakPolarHBondContact O-CG 3.35Å; A307-L311 PolarHBondContact O-N 3.18Å; A307-L311 VanDerWaalsContact O-N 3.09Å
308	Q	67.8	Low	64.9	Low	103 Å²	103	84.8 Å²	84.8	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-65.3	-39.3	176.2	-69.9	-62	-43.2	0	0	112.2	S304 M305 L311 K312	S304-Q308 VanDerWaalsContact O-CG 3.29Å; S304-Q308 WeakPolarHBondContact O-CG 3.4Å; S304-Q308 PolarHBondContact O-N 3Å; M305-Q308 PolarHBondContact O-N 2.86Å; Q308-L311 WeakPolarHBondContact O-CB 3.4Å; Q308-L311 PolarHBondContact O-N 3.12Å; Q308-K312 WeakPolarHBondContact O-CG 3.4Å; Q308-K312 PolarHBondContact O-N 2.95Å
309	E	64.5	Low	63.6	Low	63 Å²	63	90.8 Å²	90.8	29%	0.294	52%	0.519	S	S	.	.	H	α-helix	trans	-74.8	-35.8	179.6	-153.3	64.9	-167.8	0	0	111.9	M305 V306 L311 K312	M305-E309 WeakPolarHBondContact O-CB 3.48Å; M305-E309 PolarHBondContact O-N 2.9Å; V306-E309 PolarHBondContact O-N 3.38Å; E309-L311 PolarHBondContact O-N 3.09Å; E309-K312 PolarHBondContact O-N 3.28Å; E309-K312 WeakPolarHBondContact OE2-CD 3.19Å; E309-K312 IonicContact OE2-NZ 2.92Å; E309-K312 PolarHBondContact OE2-NZ 3.12Å
310	A	60.9	Low	62.5	Low	50 Å²	50	92.2 Å²	92.2	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-67	-18.5	170.7	0	0	0	0	0	112.8	V306 Y313	V306-A310 WeakPolarHBondContact O-CB 3.46Å; V306-A310 PolarHBondContact O-N 3.25Å; A310-Y313 HydrophobicContact CB-CE2 4.43Å; A310-Y313 WeakPolarHBondContact O-CD2 3.19Å; A310-Y313 WeakPolarHBondContact O-CE2 3.4Å
311	L	60.4	Low	61.2	Low	133 Å²	133	89.8 Å²	89.8	70%	0.696	52%	0.518	S	S	*	.	H	α-helix	trans	-82.6	-19.6	170.2	-76.3	159.4	0	0	0	112.4	A307 Q308 E309 Y313	A307-L311 WeakPolarHBondContact O-CD1 3.49Å; A307-L311 VanDerWaalsContact O-CG 3.3Å; A307-L311 WeakPolarHBondContact O-CG 3.35Å; A307-L311 PolarHBondContact O-N 3.18Å; A307-L311 VanDerWaalsContact O-N 3.09Å; Q308-L311 WeakPolarHBondContact O-CB 3.4Å; Q308-L311 PolarHBondContact O-N 3.12Å; E309-L311 PolarHBondContact O-N 3.09Å; L311-Y313 VanDerWaalsContact C-N 3.32Å; L311-Y313 PolarHBondContact O-N 3.19Å
312	K	60.5	Low	60.1	Low	115 Å²	115	91.4 Å²	91.4	50%	0.5	53%	0.529	S	S	.	.			trans	-90.5	28.4	-177.4	-67.4	175.1	-157.4	161.3	0	113.7	Q308 E309 T314	Q308-K312 WeakPolarHBondContact O-CG 3.4Å; Q308-K312 PolarHBondContact O-N 2.95Å; E309-K312 PolarHBondContact O-N 3.28Å; E309-K312 WeakPolarHBondContact OE2-CD 3.19Å; E309-K312 IonicContact OE2-NZ 2.92Å; E309-K312 PolarHBondContact OE2-NZ 3.12Å; K312-T314 PolarHBondContact O-N 3.17Å; K312-T314 PolarHBondContact O-OG1 2.81Å
313	Y	52.2	Low	59.2	Low	196 Å²	196	96.8 Å²	96.8	77%	0.769	56%	0.557	S	S	*	*			trans	-57.4	83	174.8	-84.6	-74.4	0	0	0	111.7	A310 L311	A310-Y313 HydrophobicContact CB-CE2 4.43Å; A310-Y313 WeakPolarHBondContact O-CD2 3.19Å; A310-Y313 WeakPolarHBondContact O-CE2 3.4Å; L311-Y313 VanDerWaalsContact C-N 3.32Å; L311-Y313 PolarHBondContact O-N 3.19Å
314	T	56.3	Low	58.4	Low	108 Å²	108	94.8 Å²	94.8	66%	0.663	55%	0.545	S	S	*	.			trans	-133.5	95.7	170.8	12.8	0	0	0	0	104.5	K312 L316	K312-T314 PolarHBondContact O-N 3.17Å; K312-T314 PolarHBondContact O-OG1 2.81Å; T314-L316 PolarHBondContact O-N 3.07Å
315	V	47.6	Very low	57.9	Low	154 Å²	154	97.9 Å²	97.9	93%	0.933	55%	0.546	S	S	*	.	S	Bend	trans	15.1	-10.4	160.8	-165	0	0	0	0	121.9
316	L	50	Low	57.6	Low	143 Å²	143	96.3 Å²	96.3	75%	0.749	54%	0.543	S	S	*	.			trans	-94.1	19.1	172.3	-122.5	87.2	0	0	0	114.2	T314 G318	T314-L316 PolarHBondContact O-N 3.07Å; L316-G318 PolarHBondContact O-N 3.34Å
317	S	52.5	Low	57.5	Low	64 Å²	64	95.1 Å²	95.1	45%	0.448	54%	0.542	S	S	.	.	H	α-helix	trans	-69.4	-19.7	-168.2	175.8	0	0	0	0	115	I319 T321	S317-I319 PolarHBondContact O-N 2.76Å; S317-T321 VanDerWaalsContact O-CB 3.22Å; S317-T321 WeakPolarHBondContact O-CB 3.15Å; S317-T321 PolarHBondContact O-N 2.93Å; S317-T321 PolarHBondContact O-OG1 3.37Å; S317-T321 PolarHBondContact OG-OG1 2.99Å
318	G	54.1	Low	57.1	Low	67 Å²	67	94.4 Å²	94.4	69%	0.691	53%	0.533	S	S	*	.	H	α-helix	trans	-65.1	-42.7	-174.5	0	0	0	0	0	115.2	L316	L316-G318 PolarHBondContact O-N 3.34Å
319	I	51.6	Low	57	Low	137 Å²	137	90 Å²	90	70%	0.703	51%	0.513	S	S	*	.	H	α-helix	trans	-99.9	-38.1	-167.9	-59.9	173.9	0	0	0	111.8	S317 A322	S317-I319 PolarHBondContact O-N 2.76Å; I319-A322 PolarHBondContact O-N 2.83Å
320	V	52.7	Low	57.2	Low	71 Å²	71	92.1 Å²	92.1	43%	0.43	53%	0.526	S	S	.	.	H	α-helix	trans	-66	-40.8	177.2	179	0	0	0	0	110.3	A322 L323 T324	V320-A322 VanDerWaalsContact C-N 3.28Å; V320-A322 PolarHBondContact O-N 3.31Å; V320-L323 PolarHBondContact O-N 3.31Å; V320-T324 WeakPolarHBondContact O-CB 3.32Å; V320-T324 PolarHBondContact O-N 3.44Å; V320-T324 PolarHBondContact O-OG1 3.22Å
321	T	52.6	Low	57.4	Low	53 Å²	53	92.7 Å²	92.7	33%	0.325	53%	0.531	S	S	.	.	H	α-helix	trans	-66.3	-29.6	179.5	-36.2	0	0	0	0	112.6	S317 L323 W325	S317-T321 VanDerWaalsContact O-CB 3.22Å; S317-T321 WeakPolarHBondContact O-CB 3.15Å; S317-T321 PolarHBondContact O-N 2.93Å; S317-T321 PolarHBondContact O-OG1 3.37Å; S317-T321 PolarHBondContact OG-OG1 2.99Å; T321-L323 VanDerWaalsContact C-N 3.35Å; T321-L323 PolarHBondContact O-N 3.17Å; T321-W325 WeakPolarHBondContact O-CB 3.35Å; T321-W325 PolarHBondContact O-N 3.49Å
322	A	53.4	Low	57.4	Low	65 Å²	65	87.2 Å²	87.2	54%	0.537	50%	0.504	S	S	.	.	H	α-helix	trans	-69.1	-28.3	178.6	0	0	0	0	0	113.7	I319 V320 P326	I319-A322 PolarHBondContact O-N 2.83Å; V320-A322 VanDerWaalsContact C-N 3.28Å; V320-A322 PolarHBondContact O-N 3.31Å; A322-P326 WeakPolarHBondContact O-CD 3.29Å; A322-P326 WeakPolarHBondContact O-CG 3.28Å
323	L	52.2	Low	57.6	Low	128 Å²	128	81.9 Å²	81.9	67%	0.67	48%	0.482	S	S	*	.	H	α-helix	trans	-98.4	-32.1	178.1	-71.8	170	0	0	0	113	V320 T321 P326 A327	V320-L323 PolarHBondContact O-N 3.31Å; T321-L323 VanDerWaalsContact C-N 3.35Å; T321-L323 PolarHBondContact O-N 3.17Å; L323-P326 WeakPolarHBondContact O-CD 3.31Å; L323-A327 PolarHBondContact O-N 2.81Å
324	T	57.8	Low	58.3	Low	53 Å²	53	76.2 Å²	76.2	33%	0.325	47%	0.471	S	S	.	.	H	α-helix	trans	-68.3	-36.4	178.2	-52.9	0	0	0	0	111.5	V320 A327 S328	V320-T324 WeakPolarHBondContact O-CB 3.32Å; V320-T324 PolarHBondContact O-N 3.44Å; V320-T324 PolarHBondContact O-OG1 3.22Å; T324-A327 PolarHBondContact O-N 2.96Å; T324-S328 VanDerWaalsContact O-CB 3.28Å; T324-S328 WeakPolarHBondContact O-CB 3.47Å; T324-S328 PolarHBondContact O-N 2.84Å; T324-S328 PolarHBondContact O-OG 3.09Å
325	W	63.1	Low	58.8	Low	132 Å²	132	75.8 Å²	75.8	50%	0.5	47%	0.468	S	S	.	.	H	α-helix	trans	-61.2	-52	179.9	178.8	-101	0	0	0	113	V306 T321 A327 L329	V306-W325 HydrophobicContact CG2-CZ3 4.33Å; T321-W325 WeakPolarHBondContact O-CB 3.35Å; T321-W325 PolarHBondContact O-N 3.49Å; W325-A327 PolarHBondContact O-N 3.38Å; W325-L329 HydrophobicContact CZ2-CD1 4.46Å; W325-L329 WeakPolarHBondContact O-CB 3.17Å; W325-L329 PolarHBondContact O-N 3.21Å
326	P	61.5	Low	59.9	Low	57 Å²	57	68.5 Å²	68.5	37%	0.37	42%	0.424	S	S	.	.	H	α-helix	trans	-60.6	-42.2	174.4	-25.3	34.3	0	0	0	114.3	A322 L323 L329 L330	A322-P326 WeakPolarHBondContact O-CD 3.29Å; A322-P326 WeakPolarHBondContact O-CG 3.28Å; L323-P326 WeakPolarHBondContact O-CD 3.31Å; P326-L329 PolarHBondContact O-N 3.33Å; P326-L330 WeakPolarHBondContact O-CB 3.19Å; P326-L330 VanDerWaalsContact O-CG 3.3Å; P326-L330 WeakPolarHBondContact O-CG 3.47Å; P326-L330 PolarHBondContact O-N 3.15Å
327	A	64.1	Low	61	Low	57 Å²	57	64.3 Å²	64.3	47%	0.471	40%	0.402	S	S	.	.	H	α-helix	trans	-69.1	-43.3	-176.7	0	0	0	0	0	112.5	L323 T324 W325 L329 L330 A331	L323-A327 PolarHBondContact O-N 2.81Å; T324-A327 PolarHBondContact O-N 2.96Å; W325-A327 PolarHBondContact O-N 3.38Å; A327-L329 VanDerWaalsContact C-N 3.33Å; A327-L330 PolarHBondContact O-N 3.36Å; A327-A331 WeakPolarHBondContact O-CB 3.11Å; A327-A331 PolarHBondContact O-N 2.88Å
328	S	64.1	Low	62.4	Low	33 Å²	33	67 Å²	67	23%	0.231	41%	0.412	C	S	.	.	H	α-helix	trans	-64.7	-38.7	174.8	-69.5	0	0	0	0	111.7	T324 A331 A332	T324-S328 VanDerWaalsContact O-CB 3.28Å; T324-S328 WeakPolarHBondContact O-CB 3.47Å; T324-S328 PolarHBondContact O-N 2.84Å; T324-S328 PolarHBondContact O-OG 3.09Å; S328-A331 PolarHBondContact O-N 2.84Å; S328-A332 WeakPolarHBondContact O-CB 3.2Å; S328-A332 PolarHBondContact O-N 3.14Å
329	L	65.5	Low	63.9	Low	11 Å²	11	65.3 Å²	65.3	6%	0.058	39%	0.388	C	S	.	.	H	α-helix	trans	-67.5	-38.6	176.8	-159.2	75.8	0	0	0	111.7	L302 W325 P326 A327 A332 A333 W434 F438	L302-L329 HydrophobicContact CD1-CD1 4.27Å; L302-L329 HydrophobicContact CD2-CD1 4.04Å; W325-L329 HydrophobicContact CZ2-CD1 4.46Å; W325-L329 WeakPolarHBondContact O-CB 3.17Å; W325-L329 PolarHBondContact O-N 3.21Å; P326-L329 PolarHBondContact O-N 3.33Å; A327-L329 VanDerWaalsContact C-N 3.33Å; L329-A332 PolarHBondContact O-N 2.73Å; L329-A333 WeakPolarHBondContact O-CB 3.31Å; L329-A333 PolarHBondContact O-N 2.78Å; L329-W434 HydrophobicContact CD1-CE3 4.17Å; L329-W434 HydrophobicContact CD1-CZ3 4.16Å; L329-F438 HydrophobicContact CB-CD1 4.47Å; L329-F438 HydrophobicContact CB-CE1 3.96Å; L329-F438 HydrophobicContact CB-CZ 4.01Å; L329-F438 HydrophobicContact CD1-CD1 4.41Å; L329-F438 HydrophobicContact CD2-CB 3.83Å; L329-F438 HydrophobicContact CD2-CD1 3.25Å; L329-F438 HydrophobicContact CD2-CD2 3.32Å; L329-F438 HydrophobicContact CD2-CE1 3.47Å; L329-F438 VanDerWaalsContact CD2-CE1 3.47Å; L329-F438 HydrophobicContact CD2-CE2 3.53Å; L329-F438 HydrophobicContact CD2-CG 3.16Å; L329-F438 HydrophobicContact CD2-CZ 3.59Å; L329-F438 HydrophobicContact CG-CD1 3.42Å; L329-F438 VanDerWaalsContact CG-CD1 3.42Å; L329-F438 HydrophobicContact CG-CD2 4.33Å; L329-F438 HydrophobicContact CG-CE1 3.36Å; L329-F438 HydrophobicContact CG-CE2 4.27Å; L329-F438 HydrophobicContact CG-CG 3.92Å; L329-F438 HydrophobicContact CG-CZ 3.8Å
330	L	67.8	Low	65.5	Low	107 Å²	107	58.8 Å²	58.8	56%	0.56	36%	0.355	S	S	*	.	H	α-helix	trans	-64.5	-45.7	172.8	-78.3	168.7	0	0	0	112.4	P326 A327 A332 A333 S334 F438	P326-L330 WeakPolarHBondContact O-CB 3.19Å; P326-L330 VanDerWaalsContact O-CG 3.3Å; P326-L330 WeakPolarHBondContact O-CG 3.47Å; P326-L330 PolarHBondContact O-N 3.15Å; A327-L330 PolarHBondContact O-N 3.36Å; L330-A332 VanDerWaalsContact C-N 3.28Å; L330-A332 PolarHBondContact O-N 2.73Å; L330-A333 WeakPolarHBondContact O-CB 3.45Å; L330-A333 PolarHBondContact O-N 3.35Å; L330-S334 PolarHBondContact O-N 3.48Å; L330-F438 HydrophobicContact CD2-CZ 3.94Å; L330-F438 HydrophobicContact CG-CZ 4.03Å
331	A	64.6	Low	67	Low	62 Å²	62	57.8 Å²	57.8	51%	0.512	35%	0.35	S	S	.	.	H	α-helix	trans	-61.3	-41.3	177.1	0	0	0	0	0	111.1	A327 S328 S334	A327-A331 WeakPolarHBondContact O-CB 3.11Å; A327-A331 PolarHBondContact O-N 2.88Å; S328-A331 PolarHBondContact O-N 2.84Å; A331-S334 PolarHBondContact O-N 3.46Å; A331-S334 PolarHBondContact O-OG 2.95Å
332	A	62	Low	68.7	Low	18 Å²	18	57.2 Å²	57.2	15%	0.149	35%	0.347	C	S	.	.	H	α-helix	trans	-78.7	-26.3	-178.6	0	0	0	0	0	112.7	L298 S328 L329 L330	L298-A332 HydrophobicContact CD1-CB 3.1Å; S328-A332 WeakPolarHBondContact O-CB 3.2Å; S328-A332 PolarHBondContact O-N 3.14Å; L329-A332 PolarHBondContact O-N 2.73Å; L330-A332 VanDerWaalsContact C-N 3.28Å; L330-A332 PolarHBondContact O-N 2.73Å
333	A	64.7	Low	70.5	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.025	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-40.5	169	0	0	0	0	0	112.6	L329 L330 V335 I336 D337 F438 L439	L329-A333 WeakPolarHBondContact O-CB 3.31Å; L329-A333 PolarHBondContact O-N 2.78Å; L330-A333 WeakPolarHBondContact O-CB 3.45Å; L330-A333 PolarHBondContact O-N 3.35Å; A333-V335 PolarHBondContact O-N 3.22Å; A333-I336 PolarHBondContact O-N 3.27Å; A333-D337 PolarHBondContact O-N 3.05Å; A333-F438 HydrophobicContact CB-CE1 4.11Å; A333-L439 HydrophobicContact CB-CD2 3.18Å
334	S	65.1	Low	72.3	Confident	77 Å²	77	48.7 Å²	48.7	54%	0.538	29%	0.293	S	S	.	.	H	α-helix	trans	-57.8	-25.8	-178.4	75.8	0	0	0	0	114.1	L330 A331	L330-S334 PolarHBondContact O-N 3.48Å; A331-S334 PolarHBondContact O-N 3.46Å; A331-S334 PolarHBondContact O-OG 2.95Å
335	V	68.3	Low	73.9	Confident	99 Å²	99	51.6 Å²	51.6	60%	0.6	31%	0.306	S	S	*	.	H	α-helix	trans	-74.9	-30.1	177.8	-178.9	0	0	0	0	111.8	A333	A333-V335 PolarHBondContact O-N 3.22Å
336	I	70.5	Confident	75.3	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-99	-22.7	-177.6	-78.5	155	0	0	0	112.8	L291 A294 L298 A333 N338 P339 W340 L439	L291-I336 HydrophobicContact CD1-CG2 4.4Å; A294-I336 HydrophobicContact CB-CD1 4.48Å; A294-I336 HydrophobicContact CB-CG1 3.54Å; A294-I336 WeakPolarHBondContact O-CD1 3.37Å; L298-I336 HydrophobicContact CB-CD1 3.23Å; L298-I336 HydrophobicContact CD2-CD1 3.15Å; L298-I336 HydrophobicContact CG-CD1 3.73Å; A333-I336 PolarHBondContact O-N 3.27Å; I336-N338 PolarHBondContact O-N 2.89Å; I336-N338 VanDerWaalsContact O-N 3.09Å; I336-P339 VanDerWaalsContact O-CD 3.26Å; I336-P339 WeakPolarHBondContact O-CD 3.07Å; I336-W340 HydrophobicContact CG2-CB 3.68Å; I336-W340 HydrophobicContact CG2-CG 4.42Å; I336-W340 WeakPolarHBondContact O-CB 3.43Å; I336-W340 PolarHBondContact O-N 3.32Å; I336-L439 HydrophobicContact CG2-CD1 4.05Å
337	D	73.6	Confident	76.9	Confident	56 Å²	56	45.2 Å²	45.2	30%	0.299	28%	0.275	S	S	.	.	H	α-helix	trans	-51.4	-41.1	-174	-76.9	-25.2	0	0	0	112.4	A333 C341	A333-D337 PolarHBondContact O-N 3.05Å; D337-C341 WeakPolarHBondContact O-CB 3.11Å; D337-C341 PolarHBondContact O-N 2.83Å; D337-C341 PolarHBondContact O-SG 3.22Å
338	N	80.8	Confident	78.3	Confident	121 Å²	121	43 Å²	43	65%	0.647	26%	0.257	S	S	*	.	H	α-helix	trans	-68	-59.8	178.2	-179.9	47.2	0	0	0	112.9	I336 W340 C341 V342	I336-N338 PolarHBondContact O-N 2.89Å; I336-N338 VanDerWaalsContact O-N 3.09Å; N338-W340 VanDerWaalsContact C-N 3.28Å; N338-W340 PolarHBondContact O-N 3.48Å; N338-C341 PolarHBondContact O-N 2.87Å; N338-V342 VanDerWaalsContact O-CG2 3.28Å; N338-V342 WeakPolarHBondContact O-CG2 3.26Å; N338-V342 PolarHBondContact O-N 3.15Å
339	P	84.9	Confident	79.8	Confident	30 Å²	30	44.8 Å²	44.8	20%	0.195	26%	0.262	C	S	.	.	H	α-helix	trans	-54.2	-41.1	174.4	-26.9	32.6	0	0	0	114	A294 I336 C343	A294-P339 HydrophobicContact CB-CG 4.42Å; I336-P339 VanDerWaalsContact O-CD 3.26Å; I336-P339 WeakPolarHBondContact O-CD 3.07Å; P339-C343 PolarHBondContact O-N 3.42Å; P339-C343 PolarHBondContact O-SG 2.84Å
340	W	85.1	Confident	81.2	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-65.1	-51.3	-179.8	-179.6	-103.6	0	0	0	112.2	L291 I336 N338 V342 C343 L344 L375 P406 L435 L436 Y440	L291-W340 HydrophobicContact CD1-CB 4.32Å; L291-W340 HydrophobicContact CD1-CE3 3.75Å; L291-W340 HydrophobicContact CD2-CE3 4.15Å; L291-W340 HydrophobicContact CD2-CZ3 4.44Å; I336-W340 HydrophobicContact CG2-CB 3.68Å; I336-W340 HydrophobicContact CG2-CG 4.42Å; I336-W340 WeakPolarHBondContact O-CB 3.43Å; I336-W340 PolarHBondContact O-N 3.32Å; N338-W340 VanDerWaalsContact C-N 3.28Å; N338-W340 PolarHBondContact O-N 3.48Å; W340-V342 VanDerWaalsContact C-N 3.31Å; W340-V342 PolarHBondContact O-N 3.43Å; W340-C343 PolarHBondContact O-N 3.23Å; W340-L344 HydrophobicContact CG-CD1 4.48Å; W340-L344 HydrophobicContact CZ2-CD2 4.33Å; W340-L344 WeakPolarHBondContact O-CG 3.48Å; W340-L344 PolarHBondContact O-N 3.49Å; W340-L375 HydrophobicContact CH2-CD2 4.47Å; W340-P406 HydrophobicContact CH2-CB 4.36Å; W340-P406 HydrophobicContact CH2-CG 4.49Å; W340-P406 HydrophobicContact CZ2-CB 4.16Å; W340-L435 HydrophobicContact CH2-CD2 4.24Å; W340-L435 HydrophobicContact CZ3-CD2 4.12Å; W340-L436 HydrophobicContact CH2-CD2 4.32Å; W340-L436 HydrophobicContact CZ2-CD2 4.47Å; W340-Y440 AromaticContact CZ2-CD2 4Å; W340-Y440 HydrophobicContact CZ2-CD2 4Å
341	C	85.3	Confident	82.5	Confident	49 Å²	49	39.2 Å²	39.2	33%	0.331	23%	0.232	S	C	.	.	H	α-helix	trans	-62.2	-38.9	179.1	-70.8	0	0	0	0	112	D337 N338 L344 N345	D337-C341 WeakPolarHBondContact O-CB 3.11Å; D337-C341 PolarHBondContact O-N 2.83Å; D337-C341 PolarHBondContact O-SG 3.22Å; N338-C341 PolarHBondContact O-N 2.87Å; C341-L344 PolarHBondContact O-N 3.27Å; C341-N345 PolarHBondContact O-N 3.16Å; C341-N345 PolarHBondContact O-ND2 3.24Å
342	V	88.8	Confident	83.9	Confident	42 Å²	42	39.7 Å²	39.7	26%	0.255	22%	0.223	S	C	.	.	H	α-helix	trans	-60	-49.1	174.6	171.7	0	0	0	0	110.4	F287 N338 W340 L344 N345 R346	F287-V342 HydrophobicContact CD1-CG1 3.6Å; F287-V342 HydrophobicContact CE1-CG1 3.64Å; F287-V342 HydrophobicContact CG-CG1 4.24Å; F287-V342 HydrophobicContact CZ-CG1 4.29Å; N338-V342 VanDerWaalsContact O-CG2 3.28Å; N338-V342 WeakPolarHBondContact O-CG2 3.26Å; N338-V342 PolarHBondContact O-N 3.15Å; W340-V342 VanDerWaalsContact C-N 3.31Å; W340-V342 PolarHBondContact O-N 3.43Å; V342-L344 PolarHBondContact O-N 3.47Å; V342-N345 PolarHBondContact O-N 2.69Å; V342-R346 HydrophobicContact CG1-CG 4.29Å; V342-R346 WeakPolarHBondContact O-CB 3.31Å; V342-R346 VanDerWaalsContact O-CG 3.3Å; V342-R346 WeakPolarHBondContact O-CG 3.41Å; V342-R346 PolarHBondContact O-N 3.03Å
343	C	90.9	Very high	85.4	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-68.3	-32	179	-63.3	0	0	0	0	112.9	F287 L291 P339 W340 S347 L375	F287-C343 PolarHBondContact O-SG 3.45Å; L291-C343 HydrophobicContact CD2-CB 4.07Å; P339-C343 PolarHBondContact O-N 3.42Å; P339-C343 PolarHBondContact O-SG 2.84Å; W340-C343 PolarHBondContact O-N 3.23Å; C343-S347 WeakPolarHBondContact O-CB 3.16Å; C343-S347 PolarHBondContact O-N 3.29Å; C343-S347 PolarHBondContact O-OG 3.2Å; C343-L375 HydrophobicContact CB-CD1 3.35Å
344	L	90.4	Very high	86.8	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-46.2	172.6	-74.5	179	0	0	0	111.6	W340 C341 V342 S347 A348 L375 R378 Y440	W340-L344 HydrophobicContact CG-CD1 4.48Å; W340-L344 HydrophobicContact CZ2-CD2 4.33Å; W340-L344 WeakPolarHBondContact O-CG 3.48Å; W340-L344 PolarHBondContact O-N 3.49Å; C341-L344 PolarHBondContact O-N 3.27Å; V342-L344 PolarHBondContact O-N 3.47Å; L344-S347 PolarHBondContact O-OG 2.94Å; L344-A348 PolarHBondContact O-N 2.88Å; L344-L375 HydrophobicContact CD2-CD2 3.57Å; L344-L375 HydrophobicContact CG-CD2 4.37Å; L344-R378 PolarHBondContact O-NE 2.98Å; L344-Y440 HydrophobicContact CD1-CD2 4.45Å; L344-Y440 HydrophobicContact CD1-CE2 4.37Å; L344-Y440 HydrophobicContact CD2-CD2 4.29Å; L344-Y440 HydrophobicContact CD2-CE2 4Å
345	N	90.3	Very high	88.2	Confident	115 Å²	115	35.7 Å²	35.7	62%	0.615	19%	0.192	S	C	*	.	H	α-helix	trans	-67.9	-46	178.1	-72.6	-28.6	0	0	0	111.5	C341 V342 S347 A348 E349	C341-N345 PolarHBondContact O-N 3.16Å; C341-N345 PolarHBondContact O-ND2 3.24Å; V342-N345 PolarHBondContact O-N 2.69Å; N345-S347 PolarHBondContact O-N 3Å; N345-A348 PolarHBondContact O-N 2.98Å; N345-E349 PolarHBondContact O-N 2.9Å
346	R	92.8	Very high	89.2	Confident	54 Å²	54	35.4 Å²	35.4	20%	0.204	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-40.5	178	-71.9	-68.4	-159.8	-127.2	9.7	112.3	A232 E234 E284 V342 A348 E349 V350	A232-R346 WeakPolarHBondContact O-CD 3.26Å; A232-R346 PolarHBondContact O-NE 2.84Å; A232-R346 VanDerWaalsContact O-NE 3.1Å; A232-R346 PolarHBondContact O-NH1 3.32Å; A232-R346 PolarHBondContact O-NH2 3.44Å; E234-R346 IonicContact OE1-NH2 3.34Å; E234-R346 PolarHBondContact OE1-NH2 3.4Å; E284-R346 HydrophobicContact CG-CB 4.23Å; E284-R346 HydrophobicContact CG-CG 4.48Å; E284-R346 IonicContact OE2-NE 3.78Å; V342-R346 HydrophobicContact CG1-CG 4.29Å; V342-R346 WeakPolarHBondContact O-CB 3.31Å; V342-R346 VanDerWaalsContact O-CG 3.3Å; V342-R346 WeakPolarHBondContact O-CG 3.41Å; V342-R346 PolarHBondContact O-N 3.03Å; R346-A348 VanDerWaalsContact C-N 3.27Å; R346-A348 PolarHBondContact O-N 3.15Å; R346-E349 PolarHBondContact O-N 3.11Å; R346-V350 WeakPolarHBondContact O-CG2 3.45Å; R346-V350 PolarHBondContact O-N 2.89Å
347	S	95.1	Very high	90.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.9	-34.9	178.7	67.4	0	0	0	0	112.9	C343 L344 N345 G351 R378	C343-S347 WeakPolarHBondContact O-CB 3.16Å; C343-S347 PolarHBondContact O-N 3.29Å; C343-S347 PolarHBondContact O-OG 3.2Å; L344-S347 PolarHBondContact O-OG 2.94Å; N345-S347 PolarHBondContact O-N 3Å; S347-G351 PolarHBondContact O-N 3.21Å; S347-R378 WeakPolarHBondContact OG-CD 3.36Å; S347-R378 WeakPolarHBondContact OG-CG 3.46Å; S347-R378 PolarHBondContact OG-NE 3.13Å
348	A	94.1	Very high	91	Very high	12 Å²	12	32.9 Å²	32.9	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-67.4	-45.1	176.2	0	0	0	0	0	111.7	L344 N345 R346 G351 K352 Y382	L344-A348 PolarHBondContact O-N 2.88Å; N345-A348 PolarHBondContact O-N 2.98Å; R346-A348 VanDerWaalsContact C-N 3.27Å; R346-A348 PolarHBondContact O-N 3.15Å; A348-G351 PolarHBondContact O-N 3.43Å; A348-K352 WeakPolarHBondContact O-CG 2.9Å; A348-K352 PolarHBondContact O-N 2.89Å; A348-K352 VanDerWaalsContact O-N 3.1Å; A348-Y382 HydrophobicContact CB-CD1 4.09Å; A348-Y382 HydrophobicContact CB-CD2 3.66Å; A348-Y382 HydrophobicContact CB-CE1 4.14Å; A348-Y382 HydrophobicContact CB-CE2 3.72Å; A348-Y382 HydrophobicContact CB-CG 3.85Å
349	E	94.4	Very high	91.3	Very high	70 Å²	70	31.3 Å²	31.3	33%	0.327	16%	0.156	S	C	.	.	H	α-helix	trans	-65.3	-43.5	177.4	-65.1	-55.4	119.2	0	0	111.9	A232 I233 N345 R346 G351 K352 H353	A232-E349 HydrophobicContact CB-CG 4.35Å; I233-E349 HydrophobicContact CD1-CB 4.32Å; I233-E349 WeakPolarHBondContact CD1-O 3.18Å; I233-E349 HydrophobicContact CG1-CB 4.07Å; N345-E349 PolarHBondContact O-N 2.9Å; R346-E349 PolarHBondContact O-N 3.11Å; E349-G351 VanDerWaalsContact C-N 3.28Å; E349-G351 PolarHBondContact O-N 2.7Å; E349-K352 PolarHBondContact O-N 3.17Å; E349-K352 IonicContact OE1-NZ 2.64Å; E349-K352 PolarHBondContact OE1-NZ 2.85Å; E349-H353 PolarHBondContact O-N 3.22Å
350	V	95.9	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-39.2	174.4	171.4	0	0	0	0	111.4	I233 F236 L281 W283 E284 R346 H353 L354 V379	I233-V350 HydrophobicContact CD1-CG2 4.17Å; I233-V350 HydrophobicContact CG1-CG2 4.06Å; I233-V350 HydrophobicContact CG2-CG2 3.95Å; F236-V350 HydrophobicContact CD2-CG1 3.96Å; F236-V350 HydrophobicContact CE2-CG1 3.94Å; L281-V350 HydrophobicContact CD2-CG1 4.16Å; W283-V350 HydrophobicContact CB-CG1 3.95Å; W283-V350 HydrophobicContact CB-CG2 4.37Å; W283-V350 HydrophobicContact CD2-CG1 4.23Å; W283-V350 HydrophobicContact CE3-CB 4.29Å; W283-V350 HydrophobicContact CE3-CG1 4.29Å; W283-V350 HydrophobicContact CE3-CG2 3.9Å; W283-V350 HydrophobicContact CG-CG1 4.12Å; E284-V350 HydrophobicContact CG-CG2 4.29Å; R346-V350 WeakPolarHBondContact O-CG2 3.45Å; R346-V350 PolarHBondContact O-N 2.89Å; V350-H353 PolarHBondContact O-N 3.42Å; V350-L354 WeakPolarHBondContact O-CB 3.41Å; V350-L354 PolarHBondContact O-N 3.16Å; V350-V379 HydrophobicContact CB-CG2 4.21Å; V350-V379 HydrophobicContact CG1-CG1 3.8Å; V350-V379 HydrophobicContact CG1-CG2 3.97Å
351	G	95.6	Very high	90.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-46.9	174.2	0	0	0	0	0	112.9	S347 A348 E349 H353 L354 A355 V379 C383	S347-G351 PolarHBondContact O-N 3.21Å; A348-G351 PolarHBondContact O-N 3.43Å; E349-G351 VanDerWaalsContact C-N 3.28Å; E349-G351 PolarHBondContact O-N 2.7Å; G351-H353 VanDerWaalsContact C-N 3.35Å; G351-H353 PolarHBondContact O-N 2.94Å; G351-L354 WeakPolarHBondContact O-CB 3.33Å; G351-L354 PolarHBondContact O-N 3.4Å; G351-A355 PolarHBondContact O-N 3.18Å; G351-V379 WeakPolarHBondContact CA-O 3.31Å; G351-C383 WeakPolarHBondContact O-CA 3.47Å; G351-C383 VanDerWaalsContact O-CB 3.29Å; G351-C383 WeakPolarHBondContact O-CB 3.14Å
352	K	94.3	Very high	90.2	Very high	72 Å²	72	37.5 Å²	37.5	31%	0.313	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-42.8	175.6	-65.1	172	-172.7	166.6	0	111.7	A348 E349 A355 Q356 E386	A348-K352 WeakPolarHBondContact O-CG 2.9Å; A348-K352 PolarHBondContact O-N 2.89Å; A348-K352 VanDerWaalsContact O-N 3.1Å; E349-K352 PolarHBondContact O-N 3.17Å; E349-K352 IonicContact OE1-NZ 2.64Å; E349-K352 PolarHBondContact OE1-NZ 2.85Å; K352-A355 WeakPolarHBondContact O-CB 3.36Å; K352-A355 PolarHBondContact O-N 3.03Å; K352-Q356 WeakPolarHBondContact O-CG 3.37Å; K352-Q356 PolarHBondContact O-N 3.37Å; K352-Q356 VanDerWaalsContact O-N 3.09Å; K352-E386 HydrophobicContact CB-CG 4.37Å; K352-E386 HydrophobicContact CG-CB 4.47Å; K352-E386 HydrophobicContact CG-CG 4.42Å
353	H	93.3	Very high	89	Confident	15 Å²	15	35.5 Å²	35.5	7%	0.069	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-40.4	177.3	-169.4	60.4	0	0	0	112.2	Y224 I233 F236 E349 V350 G351 A355 Q356 V357	Y224-H353 PolarHBondContact OH-NE2 3.42Å; I233-H353 HydrophobicContact CD1-CB 3.44Å; I233-H353 VanDerWaalsContact CD1-CB 3.44Å; F236-H353 AromaticContact CD1-CD2 3.81Å; F236-H353 AromaticContact CD2-CD2 3.71Å; F236-H353 AromaticContact CE1-CD2 3.87Å; F236-H353 AromaticContact CE2-CD2 3.77Å; F236-H353 AromaticContact CG-CD2 3.72Å; F236-H353 AromaticContact CZ-CD2 3.85Å; E349-H353 PolarHBondContact O-N 3.22Å; V350-H353 PolarHBondContact O-N 3.42Å; G351-H353 VanDerWaalsContact C-N 3.35Å; G351-H353 PolarHBondContact O-N 2.94Å; H353-A355 VanDerWaalsContact C-N 3.29Å; H353-A355 PolarHBondContact O-N 3.21Å; H353-Q356 PolarHBondContact ND1-OE1 2.92Å; H353-Q356 WeakPolarHBondContact O-CB 3.3Å; H353-Q356 PolarHBondContact O-N 3.21Å; H353-Q356 VanDerWaalsContact O-N 3.12Å; H353-V357 WeakPolarHBondContact O-CG2 3.43Å; H353-V357 PolarHBondContact O-N 3.28Å
354	L	94.1	Very high	88.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.1	-43.1	173.2	179.3	61.3	0	0	0	111.3	F236 F238 L281 V350 G351 Q356 V357 L358 V379 C383	F236-L354 HydrophobicContact CE2-CB 4.24Å; F236-L354 HydrophobicContact CZ-CB 4.2Å; F236-L354 HydrophobicContact CZ-CD1 4.11Å; F238-L354 HydrophobicContact CE1-CD1 3.94Å; F238-L354 HydrophobicContact CZ-CD1 3.61Å; L281-L354 HydrophobicContact CD2-CD2 4.35Å; V350-L354 WeakPolarHBondContact O-CB 3.41Å; V350-L354 PolarHBondContact O-N 3.16Å; G351-L354 WeakPolarHBondContact O-CB 3.33Å; G351-L354 PolarHBondContact O-N 3.4Å; L354-Q356 VanDerWaalsContact C-N 3.32Å; L354-Q356 PolarHBondContact O-N 3.35Å; L354-V357 PolarHBondContact O-N 2.68Å; L354-L358 HydrophobicContact CD1-CD1 4.33Å; L354-L358 HydrophobicContact CD1-CG 4.2Å; L354-L358 HydrophobicContact CG-CD1 4.19Å; L354-L358 HydrophobicContact CG-CG 4.44Å; L354-L358 VanDerWaalsContact O-CG 3.31Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 3.36Å; L354-V379 HydrophobicContact CD2-CG1 4.15Å; L354-C383 HydrophobicContact CB-CB 4.39Å; L354-C383 HydrophobicContact CD2-CB 4.14Å; L354-C383 HydrophobicContact CG-CB 4.39Å
355	A	93.8	Very high	87.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-59.4	-42.2	175.2	0	0	0	0	0	112.3	G351 K352 H353 L358 R359 C383 E386 L387	G351-A355 PolarHBondContact O-N 3.18Å; K352-A355 WeakPolarHBondContact O-CB 3.36Å; K352-A355 PolarHBondContact O-N 3.03Å; H353-A355 VanDerWaalsContact C-N 3.29Å; H353-A355 PolarHBondContact O-N 3.21Å; A355-L358 PolarHBondContact O-N 2.93Å; A355-R359 WeakPolarHBondContact O-CB 3.45Å; A355-R359 PolarHBondContact O-N 2.88Å; A355-C383 PolarHBondContact N-SG 3.02Å; A355-E386 HydrophobicContact CB-CB 3.67Å; A355-E386 HydrophobicContact CB-CG 3.69Å; A355-L387 HydrophobicContact CB-CD2 3.96Å; A355-L387 HydrophobicContact CB-CG 3.83Å
356	Q	90.3	Very high	87.4	Confident	93 Å²	93	33.8 Å²	33.8	44%	0.435	16%	0.158	S	C	.	.	H	α-helix	trans	-62.4	-43.6	176.1	-67.4	171.8	-10.2	0	0	112	K352 H353 L354 R359 S360	K352-Q356 WeakPolarHBondContact O-CG 3.37Å; K352-Q356 PolarHBondContact O-N 3.37Å; K352-Q356 VanDerWaalsContact O-N 3.09Å; H353-Q356 PolarHBondContact ND1-OE1 2.92Å; H353-Q356 WeakPolarHBondContact O-CB 3.3Å; H353-Q356 PolarHBondContact O-N 3.21Å; H353-Q356 VanDerWaalsContact O-N 3.12Å; L354-Q356 VanDerWaalsContact C-N 3.32Å; L354-Q356 PolarHBondContact O-N 3.35Å; Q356-R359 PolarHBondContact O-N 3.26Å; Q356-S360 WeakPolarHBondContact O-CB 3.47Å; Q356-S360 PolarHBondContact O-N 2.93Å
357	V	89.6	Confident	87.2	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.018	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-49.5	176.8	176.9	0	0	0	0	110.4	L221 Y224 F236 F238 H353 L354 R359 S360 R361	L221-V357 HydrophobicContact CD2-CG1 4.19Å; Y224-V357 HydrophobicContact CE1-CG2 4.19Å; Y224-V357 HydrophobicContact CE2-CG1 4.37Å; Y224-V357 HydrophobicContact CE2-CG2 4.32Å; Y224-V357 WeakPolarHBondContact OH-CG2 3.47Å; F236-V357 HydrophobicContact CE1-CG2 4.11Å; F236-V357 HydrophobicContact CZ-CG2 4.37Å; F238-V357 HydrophobicContact CE2-CG1 3.93Å; F238-V357 HydrophobicContact CZ-CG1 4.29Å; H353-V357 WeakPolarHBondContact O-CG2 3.43Å; H353-V357 PolarHBondContact O-N 3.28Å; L354-V357 PolarHBondContact O-N 2.68Å; V357-R359 VanDerWaalsContact C-N 3.28Å; V357-R359 PolarHBondContact O-N 3.26Å; V357-S360 PolarHBondContact O-N 3.16Å; V357-S360 VanDerWaalsContact O-N 3.15Å; V357-S360 PolarHBondContact O-OG 3.23Å; V357-R361 PolarHBondContact O-N 3.14Å
358	L	90.5	Very high	87.1	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.9	-37.5	179.9	-67.5	-177.8	0	0	0	112.2	I251 L354 A355 R361 Q363 V368 L370 V396 I397	I251-L358 HydrophobicContact CD1-CD2 3.92Å; L354-L358 HydrophobicContact CD1-CD1 4.33Å; L354-L358 HydrophobicContact CD1-CG 4.2Å; L354-L358 HydrophobicContact CG-CD1 4.19Å; L354-L358 HydrophobicContact CG-CG 4.44Å; L354-L358 VanDerWaalsContact O-CG 3.31Å; L354-L358 WeakPolarHBondContact O-CG 3.48Å; L354-L358 PolarHBondContact O-N 3.36Å; A355-L358 PolarHBondContact O-N 2.93Å; L358-R361 WeakPolarHBondContact O-CD 3.39Å; L358-R361 PolarHBondContact O-N 3.46Å; L358-Q363 PolarHBondContact O-NE2 3.35Å; L358-V368 HydrophobicContact CD2-CG1 4.21Å; L358-V368 HydrophobicContact CD2-CG2 4.07Å; L358-L370 HydrophobicContact CD1-CD2 4.44Å; L358-V396 HydrophobicContact CB-CG1 4.04Å; L358-I397 HydrophobicContact CD1-CD1 3.84Å
359	R	87.3	Confident	87.1	Confident	89 Å²	89	31.2 Å²	31.2	34%	0.336	15%	0.147	S	C	.	.	H	α-helix	trans	-67.5	-37.1	175.6	-172.9	-177.1	-56.8	174.4	1.7	112.9	A355 Q356 V357 R361 E386 D390	A355-R359 WeakPolarHBondContact O-CB 3.45Å; A355-R359 PolarHBondContact O-N 2.88Å; Q356-R359 PolarHBondContact O-N 3.26Å; V357-R359 VanDerWaalsContact C-N 3.28Å; V357-R359 PolarHBondContact O-N 3.26Å; R359-R361 WeakPolarHBondContact O-CG 3.36Å; R359-R361 PolarHBondContact O-N 2.9Å; R359-R361 VanDerWaalsContact O-N 3.13Å; R359-E386 PolarHBondContact NH2-O 3.09Å; R359-D390 IonicContact CZ-OD2 2.65Å; R359-D390 IonicContact NH1-OD2 3.97Å; R359-D390 PolarHBondContact NH1-OD2 2.89Å; R359-D390 IonicContact NH2-OD2 2.72Å; R359-D390 PolarHBondContact NH2-OD2 3.27Å
360	S	83.6	Confident	87.2	Confident	63 Å²	63	28 Å²	28	44%	0.441	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.3	175.4	73.1	0	0	0	0	113.1	Q356 V357 Q362	Q356-S360 WeakPolarHBondContact O-CB 3.47Å; Q356-S360 PolarHBondContact O-N 2.93Å; V357-S360 PolarHBondContact O-N 3.16Å; V357-S360 VanDerWaalsContact O-N 3.15Å; V357-S360 PolarHBondContact O-OG 3.23Å; S360-Q362 PolarHBondContact O-N 2.84Å; S360-Q362 VanDerWaalsContact O-N 3.15Å; S360-Q362 WeakPolarHBondContact OG-CG 3.28Å; S360-Q362 PolarHBondContact OG-NE2 3.43Å
361	R	79.8	Confident	87.2	Confident	56 Å²	56	28.3 Å²	28.3	21%	0.211	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	33.1	177.8	-55.8	-64.9	-172.3	160.4	7.1	112.5	V357 L358 R359 Q363 G364 K365	V357-R361 PolarHBondContact O-N 3.14Å; L358-R361 WeakPolarHBondContact O-CD 3.39Å; L358-R361 PolarHBondContact O-N 3.46Å; R359-R361 WeakPolarHBondContact O-CG 3.36Å; R359-R361 PolarHBondContact O-N 2.9Å; R359-R361 VanDerWaalsContact O-N 3.13Å; R361-Q363 PolarHBondContact O-N 3.49Å; R361-G364 WeakPolarHBondContact O-CA 3.49Å; R361-G364 PolarHBondContact O-N 3.46Å; R361-K365 HydrophobicContact CB-CG 4.05Å; R361-K365 HydrophobicContact CG-CG 3.95Å
362	Q	68.6	Low	87.3	Confident	90 Å²	90	28.3 Å²	28.3	42%	0.421	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.6	179.6	-82.5	-174.5	50.6	0	0	112.5	A217 S360 G364	A217-Q362 VanDerWaalsContact O-O 3.05Å; S360-Q362 PolarHBondContact O-N 2.84Å; S360-Q362 VanDerWaalsContact O-N 3.15Å; S360-Q362 WeakPolarHBondContact OG-CG 3.28Å; S360-Q362 PolarHBondContact OG-NE2 3.43Å; Q362-G364 PolarHBondContact O-N 3.47Å
363	Q	65.3	Low	87.4	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	4.4	173.9	73	-73.8	-2.2	0	0	114.4	L221 L249 L358 R361 R366 V368	L221-Q363 HydrophobicContact CD1-CB 4.4Å; L221-Q363 HydrophobicContact CD2-CB 3.79Å; L221-Q363 HydrophobicContact CG-CB 3.8Å; L249-Q363 HydrophobicContact CD1-CB 3.56Å; L249-Q363 HydrophobicContact CD1-CG 3.39Å; L358-Q363 PolarHBondContact O-NE2 3.35Å; R361-Q363 PolarHBondContact O-N 3.49Å; Q363-R366 VanDerWaalsContact O-CZ 3.22Å; Q363-R366 PolarHBondContact O-NE 2.96Å; Q363-R366 PolarHBondContact O-NH2 2.74Å; Q363-V368 HydrophobicContact CG-CG2 4.3Å
364	G	70.3	Confident	87.5	Confident	6 Å²	6	24.1 Å²	24.1	6%	0.062	12%	0.116	C	C	.	.			trans	81	159.8	-162.4	0	0	0	0	0	111	R361 Q362 R366	R361-G364 WeakPolarHBondContact O-CA 3.49Å; R361-G364 PolarHBondContact O-N 3.46Å; Q362-G364 PolarHBondContact O-N 3.47Å; G364-R366 PolarHBondContact O-N 3.1Å
365	K	80.9	Confident	87.5	Confident	87 Å²	87	24.1 Å²	24.1	38%	0.378	12%	0.116	S	C	.	.	S	Bend	trans	-72.7	60.9	175.9	-69	-179	171.1	-166.9	0	111	Q109 Y110 R361	Q109-K365 HydrophobicContact CB-CB 3.98Å; Q109-K365 HydrophobicContact CB-CD 3.99Å; Q109-K365 HydrophobicContact CG-CB 4.34Å; Q109-K365 HydrophobicContact CG-CD 3.52Å; Y110-K365 PolarHBondContact N-O 3.47Å; R361-K365 HydrophobicContact CB-CG 4.05Å; R361-K365 HydrophobicContact CG-CG 3.95Å
366	R	85.3	Confident	87.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.			trans	-108.5	150.1	-179	-69.7	-174.5	-70.3	171.1	0.4	110.6	F214 H246 L247 L249 E277 Q363 G364	F214-R366 HydrophobicContact CD1-CG 3.75Å; F214-R366 HydrophobicContact CD2-CG 4.13Å; F214-R366 HydrophobicContact CE1-CG 3.44Å; F214-R366 VanDerWaalsContact CE1-CG 3.44Å; F214-R366 HydrophobicContact CE2-CG 3.87Å; F214-R366 HydrophobicContact CG-CG 4.07Å; F214-R366 HydrophobicContact CZ-CG 3.51Å; H246-R366 PolarHBondContact O-NH1 3.47Å; L247-R366 WeakPolarHBondContact O-CB 3.32Å; L249-R366 HydrophobicContact CD1-CB 4.06Å; E277-R366 IonicContact OE2-CZ 2.69Å; E277-R366 IonicContact OE2-NH1 3.46Å; E277-R366 PolarHBondContact OE2-NH1 2.81Å; E277-R366 IonicContact OE2-NH2 3.92Å; E277-R366 PolarHBondContact OE2-NH2 2.85Å; Q363-R366 VanDerWaalsContact O-CZ 3.22Å; Q363-R366 PolarHBondContact O-NE 2.96Å; Q363-R366 PolarHBondContact O-NH2 2.74Å; G364-R366 PolarHBondContact O-N 3.1Å
367	P	89.6	Confident	88	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.			trans	-66.7	142.8	173.1	-19.6	35.2	0	0	0	111.2	Y110 A112 R115 L247 H248 L249 E398	Y110-P367 VanDerWaalsContact CD1-CD 3.49Å; Y110-P367 HydrophobicContact CD1-CG 3.8Å; Y110-P367 HydrophobicContact CE1-CG 4.26Å; Y110-P367 HydrophobicContact CG-CG 4.09Å; Y110-P367 WeakPolarHBondContact O-CD 3.49Å; Y110-P367 VanDerWaalsContact O-CG 3.3Å; Y110-P367 WeakPolarHBondContact O-CG 3.44Å; A112-P367 HydrophobicContact CB-CB 3.86Å; A112-P367 HydrophobicContact CB-CG 4.38Å; R115-P367 HydrophobicContact CB-CG 4.12Å; L247-P367 WeakPolarHBondContact O-CD 3.47Å; H248-P367 PolarHBondContact CD2-O 3.14Å; L249-P367 PolarHBondContact N-O 3.36Å; L249-P367 VanDerWaalsContact N-O 3.1Å; P367-E398 HydrophobicContact CB-CB 4.17Å
368	V	92.1	Very high	88.3	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128	-178.8	-177.3	0	0	0	0	110	L249 I251 L358 Q363 L370 V396 I397 E398	L249-V368 HydrophobicContact CB-CG2 4.29Å; L249-V368 HydrophobicContact CD1-CG2 4.22Å; L249-V368 CarbonylContact O-C 3.44Å; L249-V368 WeakPolarHBondContact O-CA 3.34Å; I251-V368 HydrophobicContact CD1-CG1 3.6Å; I251-V368 HydrophobicContact CG1-CG1 3.92Å; L358-V368 HydrophobicContact CD2-CG1 4.21Å; L358-V368 HydrophobicContact CD2-CG2 4.07Å; Q363-V368 HydrophobicContact CG-CG2 4.3Å; V368-L370 HydrophobicContact CG1-CD2 3.8Å; V368-L370 HydrophobicContact CG1-CG 4.46Å; V368-V396 PolarHBondContact N-O 2.88Å; V368-I397 HydrophobicContact CB-CD1 4.43Å; V368-I397 CarbonylContact O-C 3.57Å; V368-I397 WeakPolarHBondContact O-CA 3.17Å; V368-E398 PolarHBondContact O-N 3.33Å
369	S	93.9	Very high	88.6	Confident	12 Å²	12	20.5 Å²	20.5	8%	0.084	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.8	165.8	-65.5	0	0	0	0	110.6	H248 L249 T250 I251 D399	H248-S369 PolarHBondContact CE1-OG 3.01Å; H248-S369 WeakPolarHBondContact NE2-CB 3.43Å; H248-S369 PolarHBondContact NE2-N 3.13Å; H248-S369 PolarHBondContact NE2-OG 3.13Å; L249-S369 PolarHBondContact O-N 3.18Å; T250-S369 CarbonylContact C-O 3.57Å; T250-S369 WeakPolarHBondContact CA-O 3.14Å; I251-S369 PolarHBondContact N-O 3.23Å; S369-D399 CarbonylContact C-O 3.56Å; S369-D399 WeakPolarHBondContact CA-O 3.21Å; S369-D399 WeakPolarHBondContact CB-O 3.14Å; S369-D399 PolarHBondContact OG-N 3.08Å
370	L	96.8	Very high	89.2	Confident	2 Å²	2	16.3 Å²	16.3	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.2	-178.4	-59.3	179.4	0	0	0	109.5	I251 L358 V368 I380 I397 D399 V400 V401	I251-L370 HydrophobicContact CB-CD2 3.8Å; I251-L370 HydrophobicContact CD1-CD2 4.05Å; I251-L370 HydrophobicContact CG1-CD2 4.3Å; I251-L370 HydrophobicContact CG2-CD2 4.49Å; L358-L370 HydrophobicContact CD1-CD2 4.44Å; V368-L370 HydrophobicContact CG1-CD2 3.8Å; V368-L370 HydrophobicContact CG1-CG 4.46Å; L370-I380 HydrophobicContact CB-CD1 3.89Å; L370-I380 HydrophobicContact CB-CG1 4.03Å; L370-I380 HydrophobicContact CB-CG2 3.81Å; L370-I380 HydrophobicContact CD1-CG1 4.45Å; L370-I380 HydrophobicContact CD1-CG2 3.74Å; L370-I380 HydrophobicContact CG-CG2 4.42Å; L370-I397 HydrophobicContact CD1-CD1 3.83Å; L370-I397 HydrophobicContact CG-CD1 4.22Å; L370-D399 PolarHBondContact N-O 3.42Å; L370-V400 CarbonylContact O-C 3.58Å; L370-V400 VanDerWaalsContact O-CA 3.3Å; L370-V400 WeakPolarHBondContact O-CA 3.49Å; L370-V401 PolarHBondContact O-N 3.03Å
371	I	96.9	Very high	89.8	Confident	6 Å²	6	13.6 Å²	13.6	3%	0.031	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.9	173.9	-178	163.4	0	0	0	109.9	T250 I251 A252 V253 W269 V401 L485 V490	T250-I371 HydrophobicContact CG2-CG2 4.11Å; I251-I371 PolarHBondContact O-N 3Å; A252-I371 CarbonylContact C-O 3.5Å; A252-I371 VanDerWaalsContact CA-O 3.31Å; A252-I371 WeakPolarHBondContact CA-O 3.29Å; A252-I371 HydrophobicContact CB-CG2 3.89Å; V253-I371 PolarHBondContact N-O 3.2Å; W269-I371 HydrophobicContact CE3-CD1 4.49Å; W269-I371 HydrophobicContact CH2-CD1 4.45Å; W269-I371 HydrophobicContact CH2-CG1 3.87Å; W269-I371 HydrophobicContact CZ3-CD1 3.76Å; W269-I371 HydrophobicContact CZ3-CG1 3.66Å; W269-I371 HydrophobicContact CZ3-CG2 4.33Å; I371-V401 WeakPolarHBondContact CA-O 3.1Å; I371-V401 HydrophobicContact CB-CB 4.16Å; I371-V401 HydrophobicContact CD1-CB 4.08Å; I371-V401 HydrophobicContact CD1-CG1 3.98Å; I371-V401 HydrophobicContact CG1-CB 3.83Å; I371-V401 HydrophobicContact CG1-CG1 3.99Å; I371-L485 HydrophobicContact CD1-CD2 3.37Å; I371-V490 HydrophobicContact CD1-CG1 4.45Å; I371-V490 HydrophobicContact CD1-CG2 4.16Å
372	G	96.9	Very high	90.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	157.9	178.1	0	0	0	0	0	112.4	V253 I380 V401 L403	V253-G372 WeakPolarHBondContact O-CA 3.46Å; G372-I380 VanDerWaalsContact N-CD1 3.35Å; G372-V401 PolarHBondContact N-O 3.39Å; G372-L403 PolarHBondContact O-N 3.38Å
373	F	96.2	Very high	91.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	151.4	173.3	70.5	-83.1	0	0	0	110.7	V253 T254 G255 W256 P268 W269 L375 G376 A377 L403 M478 M481	V253-F373 PolarHBondContact O-N 2.88Å; T254-F373 HydrophobicContact CG2-CE1 3.89Å; T254-F373 HydrophobicContact CG2-CZ 3.74Å; G255-F373 VanDerWaalsContact CA-O 3.25Å; G255-F373 WeakPolarHBondContact CA-O 3.38Å; G255-F373 PolarHBondContact N-O 2.96Å; W256-F373 AromaticContact CD2-CE2 3.88Å; W256-F373 HydrophobicContact CD2-CE2 3.88Å; W256-F373 AromaticContact CE3-CD2 3.89Å; W256-F373 HydrophobicContact CE3-CD2 3.89Å; W256-F373 AromaticContact CE3-CE2 3.47Å; W256-F373 HydrophobicContact CE3-CE2 3.47Å; W256-F373 VanDerWaalsContact CE3-CE2 3.47Å; W256-F373 AromaticContact CH2-CD2 3.65Å; W256-F373 HydrophobicContact CH2-CD2 3.65Å; W256-F373 AromaticContact CH2-CE2 3.39Å; W256-F373 HydrophobicContact CH2-CE2 3.39Å; W256-F373 HydrophobicContact CZ2-CD2 4.49Å; W256-F373 AromaticContact CZ2-CE2 3.82Å; W256-F373 HydrophobicContact CZ2-CE2 3.82Å; W256-F373 AromaticContact CZ3-CD2 3.32Å; W256-F373 HydrophobicContact CZ3-CD2 3.32Å; W256-F373 AromaticContact CZ3-CE2 3.24Å; W256-F373 HydrophobicContact CZ3-CE2 3.24Å; P268-F373 HydrophobicContact CB-CE1 4Å; P268-F373 HydrophobicContact CB-CZ 4.42Å; P268-F373 HydrophobicContact CG-CE1 4.01Å; P268-F373 HydrophobicContact CG-CZ 4.11Å; W269-F373 AromaticContact CH2-CD1 3.67Å; W269-F373 HydrophobicContact CH2-CD1 3.67Å; W269-F373 HydrophobicContact CH2-CE1 4.3Å; W269-F373 AromaticContact CZ2-CD1 3.51Å; W269-F373 HydrophobicContact CZ2-CD1 3.51Å; W269-F373 AromaticContact CZ2-CE1 3.76Å; W269-F373 HydrophobicContact CZ2-CE1 3.76Å; F373-L375 PolarHBondContact O-N 3.01Å; F373-G376 WeakPolarHBondContact O-CA 3.13Å; F373-G376 PolarHBondContact O-N 3.47Å; F373-A377 PolarHBondContact O-N 2.94Å; F373-L403 CarbonylContact C-O 3.5Å; F373-L403 WeakPolarHBondContact CA-O 3.32Å; F373-L403 HydrophobicContact CB-CB 3.74Å; F373-L403 HydrophobicContact CB-CD1 4.3Å; F373-M478 HydrophobicContact CE2-CB 4.09Å; F373-M478 HydrophobicContact CZ-CB 4.21Å; F373-M478 HydrophobicContact CZ-CG 4.17Å; F373-M481 HydrophobicContact CB-CE 4.09Å; F373-M481 HydrophobicContact CD1-CE 3.48Å; F373-M481 VanDerWaalsContact CD1-CE 3.48Å; F373-M481 HydrophobicContact CE1-CE 4.01Å; F373-M481 HydrophobicContact CG-CE 3.86Å
374	S	95	Very high	93.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	-128.9	177.6	-178.8	0	0	0	0	112.5	G376 A377 R378 L403 G404 P406 H474	S374-G376 PolarHBondContact O-N 2.95Å; S374-G376 VanDerWaalsContact O-N 3.16Å; S374-A377 WeakPolarHBondContact O-CA 3.4Å; S374-A377 VanDerWaalsContact O-CB 3.24Å; S374-A377 WeakPolarHBondContact O-CB 3.39Å; S374-A377 PolarHBondContact O-N 3.25Å; S374-R378 PolarHBondContact O-N 2.88Å; S374-L403 PolarHBondContact N-O 2.94Å; S374-G404 WeakPolarHBondContact CA-O 3.35Å; S374-P406 VanDerWaalsContact C-CD 3.44Å; S374-P406 WeakPolarHBondContact O-CD 3.47Å; S374-H474 WeakPolarHBondContact CB-NE2 3.18Å; S374-H474 PolarHBondContact OG-NE2 2.55Å
375	L	95.3	Very high	94.6	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.3	-22.3	178.4	-60.3	178	0	0	0	113.1	G255 W283 L288 L291 W340 C343 L344 F373 R378 V379 P406	G255-L375 WeakPolarHBondContact O-CB 3.21Å; W283-L375 HydrophobicContact CH2-CB 3.92Å; W283-L375 HydrophobicContact CZ2-CB 4.11Å; L288-L375 HydrophobicContact CD2-CD1 4.5Å; L291-L375 HydrophobicContact CD2-CD1 3.25Å; L291-L375 HydrophobicContact CD2-CG 4.36Å; W340-L375 HydrophobicContact CH2-CD2 4.47Å; C343-L375 HydrophobicContact CB-CD1 3.35Å; L344-L375 HydrophobicContact CD2-CD2 3.57Å; L344-L375 HydrophobicContact CG-CD2 4.37Å; F373-L375 PolarHBondContact O-N 3.01Å; L375-R378 CarbonylContact O-C 3.59Å; L375-R378 WeakPolarHBondContact O-CB 3.25Å; L375-R378 PolarHBondContact O-N 3.34Å; L375-V379 WeakPolarHBondContact O-CG2 3.17Å; L375-V379 PolarHBondContact O-N 3.38Å; L375-P406 HydrophobicContact CD2-CG 3.85Å
376	G	96.6	Very high	95.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.1	-36.1	171.3	0	0	0	0	0	111.8	V253 G255 F373 S374 R378 V379 I380	V253-G376 VanDerWaalsContact CG1-CA 3.5Å; G255-G376 VanDerWaalsContact CA-N 3.25Å; F373-G376 WeakPolarHBondContact O-CA 3.13Å; F373-G376 PolarHBondContact O-N 3.47Å; S374-G376 PolarHBondContact O-N 2.95Å; S374-G376 VanDerWaalsContact O-N 3.16Å; G376-R378 VanDerWaalsContact C-N 3.3Å; G376-V379 WeakPolarHBondContact O-CB 3.24Å; G376-V379 PolarHBondContact O-N 3.25Å; G376-I380 WeakPolarHBondContact O-CG1 3.44Å; G376-I380 PolarHBondContact O-N 3.42Å
377	A	97.1	Very high	95.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-65.5	-35.6	168.3	0	0	0	0	0	111.4	F373 S374 I380 Y381 L402 A405	F373-A377 PolarHBondContact O-N 2.94Å; S374-A377 WeakPolarHBondContact O-CA 3.4Å; S374-A377 VanDerWaalsContact O-CB 3.24Å; S374-A377 WeakPolarHBondContact O-CB 3.39Å; S374-A377 PolarHBondContact O-N 3.25Å; A377-I380 PolarHBondContact O-N 2.85Å; A377-Y381 PolarHBondContact O-N 3.49Å; A377-L402 HydrophobicContact CB-CB 4.09Å; A377-L402 HydrophobicContact CB-CD2 3.85Å; A377-A405 HydrophobicContact CB-CB 3.68Å
378	R	96.2	Very high	95.8	Very high	20 Å²	20	11.8 Å²	11.8	8%	0.075	6%	0.059	C	C	.	.	H	α-helix	trans	-65	-40.4	173.8	-176.3	171.8	178.5	107.2	-0.4	112.7	L344 S347 S374 L375 G376 I380 Y381 Y382 P406 V407 Y440	L344-R378 PolarHBondContact O-NE 2.98Å; S347-R378 WeakPolarHBondContact OG-CD 3.36Å; S347-R378 WeakPolarHBondContact OG-CG 3.46Å; S347-R378 PolarHBondContact OG-NE 3.13Å; S374-R378 PolarHBondContact O-N 2.88Å; L375-R378 CarbonylContact O-C 3.59Å; L375-R378 WeakPolarHBondContact O-CB 3.25Å; L375-R378 PolarHBondContact O-N 3.34Å; G376-R378 VanDerWaalsContact C-N 3.3Å; R378-I380 VanDerWaalsContact C-N 3.29Å; R378-I380 PolarHBondContact O-N 3.37Å; R378-Y381 WeakPolarHBondContact O-CB 3.38Å; R378-Y381 PolarHBondContact O-N 2.68Å; R378-Y382 HydrophobicContact CG-CD2 3.82Å; R378-Y382 HydrophobicContact CG-CE2 3.71Å; R378-Y382 PolarHBondContact NH2-OH 2.55Å; R378-Y382 WeakPolarHBondContact O-CD2 3.42Å; R378-Y382 PolarHBondContact O-N 3.4Å; R378-P406 HydrophobicContact CB-CG 4.2Å; R378-P406 WeakPolarHBondContact CD-O 3.33Å; R378-P406 PolarHBondContact NH1-O 3.17Å; R378-V407 HydrophobicContact CB-CG1 3.87Å; R378-V407 HydrophobicContact CG-CG1 3.78Å; R378-Y440 PolarHBondContact NH1-OH 3.21Å
379	V	97.9	Very high	95.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-55	-47.2	170.8	167.6	0	0	0	0	110.4	V253 L281 W283 V350 G351 L354 L375 G376 Y382 C383	V253-V379 HydrophobicContact CG1-CB 4.11Å; V253-V379 HydrophobicContact CG1-CG1 4.16Å; V253-V379 HydrophobicContact CG1-CG2 4.43Å; L281-V379 HydrophobicContact CD2-CG1 4.19Å; W283-V379 HydrophobicContact CD2-CG2 4.23Å; W283-V379 HydrophobicContact CE3-CG2 4.38Å; W283-V379 HydrophobicContact CH2-CG2 3.93Å; W283-V379 HydrophobicContact CZ2-CG2 3.77Å; W283-V379 HydrophobicContact CZ3-CG2 4.25Å; V350-V379 HydrophobicContact CB-CG2 4.21Å; V350-V379 HydrophobicContact CG1-CG1 3.8Å; V350-V379 HydrophobicContact CG1-CG2 3.97Å; G351-V379 WeakPolarHBondContact CA-O 3.31Å; L354-V379 HydrophobicContact CD2-CG1 4.15Å; L375-V379 WeakPolarHBondContact O-CG2 3.17Å; L375-V379 PolarHBondContact O-N 3.38Å; G376-V379 WeakPolarHBondContact O-CB 3.24Å; G376-V379 PolarHBondContact O-N 3.25Å; V379-Y382 PolarHBondContact O-N 3.15Å; V379-C383 WeakPolarHBondContact O-CB 3.23Å; V379-C383 PolarHBondContact O-N 3.43Å
380	I	98.1	Very high	95.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.6	-43.8	178.9	-64.4	165.4	0	0	0	111.1	V253 L370 G372 G376 A377 R378 Y382 C383 L384 V400 L402	V253-I380 HydrophobicContact CB-CD1 4.29Å; V253-I380 HydrophobicContact CB-CG1 4.47Å; V253-I380 HydrophobicContact CG2-CD1 4.04Å; V253-I380 HydrophobicContact CG2-CG1 3.99Å; L370-I380 HydrophobicContact CB-CD1 3.89Å; L370-I380 HydrophobicContact CB-CG1 4.03Å; L370-I380 HydrophobicContact CB-CG2 3.81Å; L370-I380 HydrophobicContact CD1-CG1 4.45Å; L370-I380 HydrophobicContact CD1-CG2 3.74Å; L370-I380 HydrophobicContact CG-CG2 4.42Å; G372-I380 VanDerWaalsContact N-CD1 3.35Å; G376-I380 WeakPolarHBondContact O-CG1 3.44Å; G376-I380 PolarHBondContact O-N 3.42Å; A377-I380 PolarHBondContact O-N 2.85Å; R378-I380 VanDerWaalsContact C-N 3.29Å; R378-I380 PolarHBondContact O-N 3.37Å; I380-Y382 PolarHBondContact O-N 2.81Å; I380-C383 VanDerWaalsContact O-CB 3.31Å; I380-C383 WeakPolarHBondContact O-CB 3.08Å; I380-C383 PolarHBondContact O-N 2.96Å; I380-C383 VanDerWaalsContact O-N 3.14Å; I380-L384 HydrophobicContact CG2-CD1 4.2Å; I380-L384 HydrophobicContact CG2-CG 4.31Å; I380-L384 WeakPolarHBondContact O-CG 3.29Å; I380-L384 PolarHBondContact O-N 3.15Å; I380-V400 HydrophobicContact CG2-CG1 3.8Å; I380-L402 HydrophobicContact CB-CD2 3.75Å; I380-L402 HydrophobicContact CD1-CD2 4.21Å; I380-L402 HydrophobicContact CG2-CD2 3.68Å
381	Y	97	Very high	94.2	Very high	7 Å²	7	28.3 Å²	28.3	3%	0.027	14%	0.143	C	C	.	.	H	α-helix	trans	-54.7	-50.8	176.8	174.6	-86.3	0	0	0	112	A377 R378 C383 L384 Q385 V407 S413 W414 M417	A377-Y381 PolarHBondContact O-N 3.49Å; R378-Y381 WeakPolarHBondContact O-CB 3.38Å; R378-Y381 PolarHBondContact O-N 2.68Å; Y381-C383 VanDerWaalsContact C-N 3.31Å; Y381-C383 PolarHBondContact O-N 3.24Å; Y381-L384 PolarHBondContact O-N 3.5Å; Y381-Q385 PolarHBondContact O-N 2.98Å; Y381-V407 HydrophobicContact CD1-CB 4.14Å; Y381-V407 HydrophobicContact CD1-CG1 3.87Å; Y381-V407 HydrophobicContact CD2-CB 3.82Å; Y381-V407 HydrophobicContact CD2-CG1 4.08Å; Y381-V407 HydrophobicContact CD2-CG2 3.63Å; Y381-V407 HydrophobicContact CE1-CB 4.38Å; Y381-V407 HydrophobicContact CE2-CB 4.03Å; Y381-V407 HydrophobicContact CE2-CG2 3.98Å; Y381-V407 HydrophobicContact CG-CB 3.88Å; Y381-V407 HydrophobicContact CG-CG1 3.64Å; Y381-V407 HydrophobicContact CG-CG2 4.09Å; Y381-S413 VanDerWaalsContact OH-CB 3.28Å; Y381-S413 WeakPolarHBondContact OH-CB 3.31Å; Y381-W414 AromaticContact CD2-CH2 3.99Å; Y381-W414 HydrophobicContact CD2-CH2 3.99Å; Y381-W414 AromaticContact CD2-CZ2 3.85Å; Y381-W414 HydrophobicContact CD2-CZ2 3.85Å; Y381-W414 AromaticContact CE2-CE2 3.98Å; Y381-W414 HydrophobicContact CE2-CH2 4.39Å; Y381-W414 AromaticContact CE2-CZ2 3.85Å; Y381-W414 HydrophobicContact CE2-CZ2 3.85Å; Y381-M417 HydrophobicContact CD2-CE 3.54Å; Y381-M417 HydrophobicContact CD2-SD 3.79Å; Y381-M417 HydrophobicContact CE2-CE 3.26Å; Y381-M417 HydrophobicContact CE2-SD 3.85Å; Y381-M417 HydrophobicContact CG-SD 4.27Å
382	Y	96.3	Very high	93.3	Very high	52 Å²	52	30.9 Å²	30.9	20%	0.204	17%	0.171	C	C	.	.	H	α-helix	trans	-69.3	-30.1	178.3	-78	-73.2	0	0	0	112.7	A348 R378 V379 I380 Q385 E386	A348-Y382 HydrophobicContact CB-CD1 4.09Å; A348-Y382 HydrophobicContact CB-CD2 3.66Å; A348-Y382 HydrophobicContact CB-CE1 4.14Å; A348-Y382 HydrophobicContact CB-CE2 3.72Å; A348-Y382 HydrophobicContact CB-CG 3.85Å; R378-Y382 HydrophobicContact CG-CD2 3.82Å; R378-Y382 HydrophobicContact CG-CE2 3.71Å; R378-Y382 PolarHBondContact NH2-OH 2.55Å; R378-Y382 WeakPolarHBondContact O-CD2 3.42Å; R378-Y382 PolarHBondContact O-N 3.4Å; V379-Y382 PolarHBondContact O-N 3.15Å; I380-Y382 PolarHBondContact O-N 2.81Å; Y382-Q385 VanDerWaalsContact CD1-OE1 3.3Å; Y382-Q385 PolarHBondContact O-N 3.28Å; Y382-E386 WeakPolarHBondContact O-CB 3.46Å; Y382-E386 PolarHBondContact O-N 3.31Å
383	C	96.8	Very high	92.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-46.8	170.3	179.1	0	0	0	0	111.6	G351 L354 A355 V379 I380 Y381 E386 L387	G351-C383 WeakPolarHBondContact O-CA 3.47Å; G351-C383 VanDerWaalsContact O-CB 3.29Å; G351-C383 WeakPolarHBondContact O-CB 3.14Å; L354-C383 HydrophobicContact CB-CB 4.39Å; L354-C383 HydrophobicContact CD2-CB 4.14Å; L354-C383 HydrophobicContact CG-CB 4.39Å; A355-C383 PolarHBondContact N-SG 3.02Å; V379-C383 WeakPolarHBondContact O-CB 3.23Å; V379-C383 PolarHBondContact O-N 3.43Å; I380-C383 VanDerWaalsContact O-CB 3.31Å; I380-C383 WeakPolarHBondContact O-CB 3.08Å; I380-C383 PolarHBondContact O-N 2.96Å; I380-C383 VanDerWaalsContact O-N 3.14Å; Y381-C383 VanDerWaalsContact C-N 3.31Å; Y381-C383 PolarHBondContact O-N 3.24Å; C383-E386 PolarHBondContact O-N 3.3Å; C383-L387 VanDerWaalsContact O-CG 3.3Å; C383-L387 WeakPolarHBondContact O-CG 3.35Å; C383-L387 PolarHBondContact O-N 2.91Å
384	L	96.4	Very high	92.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-39.6	177.7	-64	175.4	0	0	0	112.2	I380 Y381 E386 L387 A388 I397 V400 M417 V420 V421	I380-L384 HydrophobicContact CG2-CD1 4.2Å; I380-L384 HydrophobicContact CG2-CG 4.31Å; I380-L384 WeakPolarHBondContact O-CG 3.29Å; I380-L384 PolarHBondContact O-N 3.15Å; Y381-L384 PolarHBondContact O-N 3.5Å; L384-E386 VanDerWaalsContact C-N 3.33Å; L384-E386 PolarHBondContact O-N 3.12Å; L384-L387 PolarHBondContact O-N 2.62Å; L384-A388 VanDerWaalsContact O-CB 3.23Å; L384-A388 WeakPolarHBondContact O-CB 3.3Å; L384-A388 PolarHBondContact O-N 3.35Å; L384-I397 HydrophobicContact CD2-CG1 4.02Å; L384-I397 HydrophobicContact CD2-CG2 4.24Å; L384-V400 HydrophobicContact CD1-CB 4.47Å; L384-V400 HydrophobicContact CD1-CG1 4.01Å; L384-V400 HydrophobicContact CD1-CG2 3.91Å; L384-V400 HydrophobicContact CD2-CG2 4.07Å; L384-M417 HydrophobicContact CB-CB 4.13Å; L384-M417 HydrophobicContact CB-CG 3.94Å; L384-M417 HydrophobicContact CB-SD 3.79Å; L384-V420 HydrophobicContact CD2-CG2 4.24Å; L384-V421 HydrophobicContact CD1-CG2 4.32Å; L384-V421 HydrophobicContact CD2-CG2 3.84Å
385	Q	95	Very high	92	Very high	65 Å²	65	33.5 Å²	33.5	30%	0.304	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-42.1	176.9	-169.1	174.3	33.3	0	0	111.8	Y381 Y382 A388 S389 M417	Y381-Q385 PolarHBondContact O-N 2.98Å; Y382-Q385 VanDerWaalsContact CD1-OE1 3.3Å; Y382-Q385 PolarHBondContact O-N 3.28Å; Q385-A388 PolarHBondContact O-N 2.77Å; Q385-S389 PolarHBondContact O-N 3.38Å; Q385-S389 VanDerWaalsContact O-N 3.13Å; Q385-S389 PolarHBondContact O-OG 3.02Å; Q385-M417 HydrophobicContact CB-SD 4.4Å
386	E	94.7	Very high	91.8	Very high	53 Å²	53	33.6 Å²	33.6	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-67.7	-42	176.1	-171.8	67.9	-165.8	0	0	111.6	K352 A355 R359 Y382 C383 L384 A388 S389	K352-E386 HydrophobicContact CB-CG 4.37Å; K352-E386 HydrophobicContact CG-CB 4.47Å; K352-E386 HydrophobicContact CG-CG 4.42Å; A355-E386 HydrophobicContact CB-CB 3.67Å; A355-E386 HydrophobicContact CB-CG 3.69Å; R359-E386 PolarHBondContact NH2-O 3.09Å; Y382-E386 WeakPolarHBondContact O-CB 3.46Å; Y382-E386 PolarHBondContact O-N 3.31Å; C383-E386 PolarHBondContact O-N 3.3Å; L384-E386 VanDerWaalsContact C-N 3.33Å; L384-E386 PolarHBondContact O-N 3.12Å; E386-A388 VanDerWaalsContact C-N 3.33Å; E386-A388 PolarHBondContact O-N 3.35Å; E386-S389 PolarHBondContact O-N 2.84Å
387	L	93.8	Very high	91.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-39.4	174.4	-70.9	174.8	0	0	0	112	A355 C383 L384 S389 D390 S393 I397 V420	A355-L387 HydrophobicContact CB-CD2 3.96Å; A355-L387 HydrophobicContact CB-CG 3.83Å; C383-L387 VanDerWaalsContact O-CG 3.3Å; C383-L387 WeakPolarHBondContact O-CG 3.35Å; C383-L387 PolarHBondContact O-N 2.91Å; L384-L387 PolarHBondContact O-N 2.62Å; L387-S389 VanDerWaalsContact C-N 3.3Å; L387-S389 PolarHBondContact O-N 2.83Å; L387-D390 PolarHBondContact O-N 3.29Å; L387-D390 VanDerWaalsContact O-O 3.12Å; L387-S393 WeakPolarHBondContact O-CB 3.21Å; L387-S393 PolarHBondContact O-OG 3.18Å; L387-S393 VanDerWaalsContact O-OG 3.1Å; L387-I397 HydrophobicContact CD1-CD1 4Å; L387-I397 HydrophobicContact CD1-CG1 3.8Å; L387-V420 HydrophobicContact CB-CB 4.47Å; L387-V420 HydrophobicContact CB-CG1 4.35Å; L387-V420 HydrophobicContact CB-CG2 4.27Å
388	A	92.6	Very high	91.6	Very high	31 Å²	31	33.6 Å²	33.6	26%	0.256	19%	0.185	S	C	.	.	H	α-helix	trans	-73.8	-19.2	-179.3	0	0	0	0	0	114	L384 Q385 E386 D390 R416 V420	L384-A388 VanDerWaalsContact O-CB 3.23Å; L384-A388 WeakPolarHBondContact O-CB 3.3Å; L384-A388 PolarHBondContact O-N 3.35Å; Q385-A388 PolarHBondContact O-N 2.77Å; E386-A388 VanDerWaalsContact C-N 3.33Å; E386-A388 PolarHBondContact O-N 3.35Å; A388-D390 VanDerWaalsContact C-N 3.31Å; A388-R416 HydrophobicContact CB-CB 4.43Å; A388-R416 WeakPolarHBondContact CB-O 3.32Å; A388-V420 HydrophobicContact CB-CG1 3.96Å; A388-V420 HydrophobicContact CB-CG2 4.22Å
389	S	89.8	Confident	91.5	Very high	88 Å²	88	34 Å²	34	62%	0.615	19%	0.189	S	C	*	.	H	α-helix	trans	-76.4	-21.7	178	-61.2	0	0	0	0	112.5	Q385 E386 L387	Q385-S389 PolarHBondContact O-N 3.38Å; Q385-S389 VanDerWaalsContact O-N 3.13Å; Q385-S389 PolarHBondContact O-OG 3.02Å; E386-S389 PolarHBondContact O-N 2.84Å; L387-S389 VanDerWaalsContact C-N 3.3Å; L387-S389 PolarHBondContact O-N 2.83Å
390	D	81.7	Confident	91.5	Very high	65 Å²	65	34 Å²	34	35%	0.348	19%	0.189	S	C	.	.	S	Bend	trans	-113.2	141	-176.6	-73.1	-47	0	0	0	112.9	R359 L387 A388	R359-D390 IonicContact CZ-OD2 2.65Å; R359-D390 IonicContact NH1-OD2 3.97Å; R359-D390 PolarHBondContact NH1-OD2 2.89Å; R359-D390 IonicContact NH2-OD2 2.72Å; R359-D390 PolarHBondContact NH2-OD2 3.27Å; L387-D390 PolarHBondContact O-N 3.29Å; L387-D390 VanDerWaalsContact O-O 3.12Å; A388-D390 VanDerWaalsContact C-N 3.31Å
391	K	76.9	Confident	91.5	Very high	208 Å²	208	34.7 Å²	34.7	90%	0.904	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	141.6	176.4	-63.7	-176	179.4	-178.9	0	111.2
392	G	78.8	Confident	91.5	Very high	59 Å²	59	34.3 Å²	34.3	61%	0.608	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	8.6	175	0	0	0	0	0	114.7	E394	G392-E394 VanDerWaalsContact C-N 3.3Å; G392-E394 VanDerWaalsContact C-OE2 3.3Å; G392-E394 WeakPolarHBondContact CA-OE2 3.4Å; G392-E394 PolarHBondContact N-OE2 2.88Å
393	S	85.5	Confident	91.5	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	18%	0.181	C	C	.	.			trans	-86.3	-2.3	172.1	-58.6	0	0	0	0	112.7	L387 V396	L387-S393 WeakPolarHBondContact O-CB 3.21Å; L387-S393 PolarHBondContact O-OG 3.18Å; L387-S393 VanDerWaalsContact O-OG 3.1Å; S393-V396 WeakPolarHBondContact O-CG2 3.16Å
394	E	88.1	Confident	91.4	Very high	51 Å²	51	31.9 Å²	31.9	24%	0.238	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	145.6	175.5	-56.9	83.3	175.4	0	0	110.6	G392 V396	G392-E394 VanDerWaalsContact C-N 3.3Å; G392-E394 VanDerWaalsContact C-OE2 3.3Å; G392-E394 WeakPolarHBondContact CA-OE2 3.4Å; G392-E394 PolarHBondContact N-OE2 2.88Å; E394-V396 VanDerWaalsContact C-N 3.27Å; E394-V396 PolarHBondContact O-N 3.31Å
395	G	87.4	Confident	91.3	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.021	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	8.3	179.6	0	0	0	0	0	115.1	D111 A112	D111-G395 VanDerWaalsContact OD1-CA 3.25Å; D111-G395 WeakPolarHBondContact OD1-CA 3.28Å; A112-G395 WeakPolarHBondContact CB-O 3.47Å; A112-G395 PolarHBondContact N-O 3.35Å
396	V	91.6	Very high	91.2	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	17%	0.167	C	C	.	.	S	Bend	trans	-79.3	-53.2	168.6	-174.4	0	0	0	0	111	L358 V368 S393 E394	L358-V396 HydrophobicContact CB-CG1 4.04Å; V368-V396 PolarHBondContact N-O 2.88Å; S393-V396 WeakPolarHBondContact O-CG2 3.16Å; E394-V396 VanDerWaalsContact C-N 3.27Å; E394-V396 PolarHBondContact O-N 3.31Å
397	I	95.3	Very high	91.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.2	-169.3	-53.7	-59.9	0	0	0	109.8	A112 L358 V368 L370 L384 L387 V400 V421 A422	A112-I397 WeakPolarHBondContact CB-O 3.44Å; L358-I397 HydrophobicContact CD1-CD1 3.84Å; V368-I397 HydrophobicContact CB-CD1 4.43Å; V368-I397 CarbonylContact O-C 3.57Å; V368-I397 WeakPolarHBondContact O-CA 3.17Å; L370-I397 HydrophobicContact CD1-CD1 3.83Å; L370-I397 HydrophobicContact CG-CD1 4.22Å; L384-I397 HydrophobicContact CD2-CG1 4.02Å; L384-I397 HydrophobicContact CD2-CG2 4.24Å; L387-I397 HydrophobicContact CD1-CD1 4Å; L387-I397 HydrophobicContact CD1-CG1 3.8Å; I397-V400 HydrophobicContact CG2-CG2 3.54Å; I397-V421 HydrophobicContact CB-CG2 4.43Å; I397-V421 HydrophobicContact CG2-CG1 4.26Å; I397-V421 HydrophobicContact CG2-CG2 4.03Å; I397-A422 WeakPolarHBondContact O-CB 3.26Å; I397-A422 PolarHBondContact O-N 3.42Å
398	E	93.3	Very high	90.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-77	173.2	-178.9	174.4	169.5	0	0	110.3	A112 R115 V116 R119 H248 P367 V368 V421 G423	A112-E398 HydrophobicContact CB-CB 4.15Å; R115-E398 WeakPolarHBondContact CD-OE2 3.39Å; R115-E398 IonicContact CZ-OE1 3.47Å; R115-E398 IonicContact CZ-OE2 3.89Å; R115-E398 VanDerWaalsContact CZ-OE2 3.26Å; R115-E398 IonicContact NE-OE1 2.76Å; R115-E398 IonicContact NE-OE2 3.92Å; R115-E398 PolarHBondContact NE-OE2 3.37Å; R115-E398 VanDerWaalsContact NE-OE2 3.14Å; R115-E398 IonicContact NH1-OE1 2.68Å; R115-E398 PolarHBondContact NH1-OE1 2.96Å; R115-E398 IonicContact NH1-OE2 3.61Å; R115-E398 IonicContact NH2-OE1 3.88Å; R115-E398 IonicContact NH2-OE2 3.75Å; V116-E398 HydrophobicContact CG2-CG 3.95Å; R119-E398 WeakPolarHBondContact CD-OE1 3.46Å; H248-E398 IonicContact CD2-OE2 3.72Å; H248-E398 PolarHBondContact CD2-OE2 2.73Å; H248-E398 IonicContact CG-OE2 3.53Å; H248-E398 IonicContact NE2-OE2 3.09Å; H248-E398 PolarHBondContact NE2-OE2 2.88Å; P367-E398 HydrophobicContact CB-CB 4.17Å; V368-E398 PolarHBondContact O-N 3.33Å; E398-V421 VanDerWaalsContact O-CG1 3.31Å; E398-V421 WeakPolarHBondContact O-CG1 3.27Å; E398-G423 WeakPolarHBondContact O-CA 3.3Å; E398-G423 PolarHBondContact O-N 3.05Å
399	D	95	Very high	90.5	Very high	29 Å²	29	26.7 Å²	26.7	16%	0.155	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.6	-178	-68	-45	0	0	0	111.1	S369 L370 G423 R424	S369-D399 CarbonylContact C-O 3.56Å; S369-D399 WeakPolarHBondContact CA-O 3.21Å; S369-D399 WeakPolarHBondContact CB-O 3.14Å; S369-D399 PolarHBondContact OG-N 3.08Å; L370-D399 PolarHBondContact N-O 3.42Å; D399-G423 WeakPolarHBondContact OD1-CA 3.07Å; D399-R424 WeakPolarHBondContact CA-O 3.48Å; D399-R424 PolarHBondContact OD1-N 2.98Å
400	V	97.4	Very high	90.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.8	176.9	175.4	0	0	0	0	109.3	L370 I380 L384 I397 L402 V421 R424 I425 V426	L370-V400 CarbonylContact O-C 3.58Å; L370-V400 VanDerWaalsContact O-CA 3.3Å; L370-V400 WeakPolarHBondContact O-CA 3.49Å; I380-V400 HydrophobicContact CG2-CG1 3.8Å; L384-V400 HydrophobicContact CD1-CB 4.47Å; L384-V400 HydrophobicContact CD1-CG1 4.01Å; L384-V400 HydrophobicContact CD1-CG2 3.91Å; L384-V400 HydrophobicContact CD2-CG2 4.07Å; I397-V400 HydrophobicContact CG2-CG2 3.54Å; V400-L402 HydrophobicContact CG1-CD1 4.13Å; V400-L402 HydrophobicContact CG1-CD2 3.8Å; V400-L402 HydrophobicContact CG1-CG 3.72Å; V400-V421 HydrophobicContact CG2-CG1 4.18Å; V400-V421 HydrophobicContact CG2-CG2 3.86Å; V400-R424 PolarHBondContact N-O 2.97Å; V400-I425 HydrophobicContact CB-CG1 4.32Å; V400-I425 HydrophobicContact CB-CG2 4.39Å; V400-I425 HydrophobicContact CG1-CG2 4.36Å; V400-I425 CarbonylContact O-C 3.19Å; V400-I425 WeakPolarHBondContact O-CA 3.5Å; V400-V426 PolarHBondContact O-N 3.44Å
401	V	97.4	Very high	90.5	Very high	13 Å²	13	25.9 Å²	25.9	8%	0.079	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.3	174.3	-179.9	0	0	0	0	109.1	L370 I371 G372 L403 V426 V488 V490	L370-V401 PolarHBondContact O-N 3.03Å; I371-V401 WeakPolarHBondContact CA-O 3.1Å; I371-V401 HydrophobicContact CB-CB 4.16Å; I371-V401 HydrophobicContact CD1-CB 4.08Å; I371-V401 HydrophobicContact CD1-CG1 3.98Å; I371-V401 HydrophobicContact CG1-CB 3.83Å; I371-V401 HydrophobicContact CG1-CG1 3.99Å; G372-V401 PolarHBondContact N-O 3.39Å; V401-L403 HydrophobicContact CG1-CD2 3.93Å; V401-L403 HydrophobicContact CG1-CG 4.15Å; V401-V426 HydrophobicContact CB-CB 4.47Å; V401-V426 HydrophobicContact CG1-CB 4.34Å; V401-V426 HydrophobicContact CG2-CB 4.16Å; V401-V426 HydrophobicContact CG2-CG2 4.2Å; V401-V488 HydrophobicContact CG1-CG2 4.18Å; V401-V490 HydrophobicContact CG1-CG2 4.48Å; V401-V490 HydrophobicContact CG2-CG2 3.92Å
402	L	97.8	Very high	90.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.9	-177.9	-56.3	176.3	0	0	0	108.7	A377 I380 V400 A405 W414 V426 G428	A377-L402 HydrophobicContact CB-CB 4.09Å; A377-L402 HydrophobicContact CB-CD2 3.85Å; I380-L402 HydrophobicContact CB-CD2 3.75Å; I380-L402 HydrophobicContact CD1-CD2 4.21Å; I380-L402 HydrophobicContact CG2-CD2 3.68Å; V400-L402 HydrophobicContact CG1-CD1 4.13Å; V400-L402 HydrophobicContact CG1-CD2 3.8Å; V400-L402 HydrophobicContact CG1-CG 3.72Å; L402-A405 HydrophobicContact CB-CB 4.27Å; L402-W414 HydrophobicContact CD1-CH2 3.41Å; L402-W414 VanDerWaalsContact CD1-CH2 3.41Å; L402-W414 HydrophobicContact CD1-CZ3 3.71Å; L402-V426 PolarHBondContact N-O 3.47Å; L402-G428 PolarHBondContact O-N 3.47Å
403	L	97	Very high	91.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.6	-176.5	-53.6	172.1	0	0	0	109.4	G372 F373 S374 V401 A405 G428 L467 Y477 M481 I484 V488	G372-L403 PolarHBondContact O-N 3.38Å; F373-L403 CarbonylContact C-O 3.5Å; F373-L403 WeakPolarHBondContact CA-O 3.32Å; F373-L403 HydrophobicContact CB-CB 3.74Å; F373-L403 HydrophobicContact CB-CD1 4.3Å; S374-L403 PolarHBondContact N-O 2.94Å; V401-L403 HydrophobicContact CG1-CD2 3.93Å; V401-L403 HydrophobicContact CG1-CG 4.15Å; L403-A405 VanDerWaalsContact C-N 3.3Å; L403-A405 PolarHBondContact O-N 3.11Å; L403-G428 CarbonylContact C-O 3.55Å; L403-G428 WeakPolarHBondContact CA-O 3.3Å; L403-L467 HydrophobicContact CD2-CD1 4.1Å; L403-Y477 HydrophobicContact CB-CD1 3.87Å; L403-Y477 HydrophobicContact CB-CE1 3.9Å; L403-M481 HydrophobicContact CD1-CE 3.99Å; L403-M481 HydrophobicContact CD1-SD 3.74Å; L403-I484 HydrophobicContact CD1-CG2 3.82Å; L403-I484 HydrophobicContact CD2-CG2 3.74Å; L403-I484 HydrophobicContact CG-CG2 4.37Å; L403-V488 HydrophobicContact CD2-CG1 3.91Å
404	G	94.2	Very high	91.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	55.3	44.2	179.1	0	0	0	0	0	113	S374 P406 G428 H474 Y477	S374-G404 WeakPolarHBondContact CA-O 3.35Å; G404-P406 WeakPolarHBondContact O-CD 3.45Å; G404-G428 PolarHBondContact N-O 2.99Å; G404-H474 PolarHBondContact O-CE1 3.06Å; G404-Y477 VanDerWaalsContact CA-OH 3.29Å; G404-Y477 WeakPolarHBondContact CA-OH 3.36Å; G404-Y477 PolarHBondContact N-OH 2.88Å
405	A	94.5	Very high	91.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.			trans	-73	120.5	-171.3	0	0	0	0	0	112.2	A377 L402 L403 V407 G451	A377-A405 HydrophobicContact CB-CB 3.68Å; L402-A405 HydrophobicContact CB-CB 4.27Å; L403-A405 VanDerWaalsContact C-N 3.3Å; L403-A405 PolarHBondContact O-N 3.11Å; A405-V407 HydrophobicContact CB-CG2 3.8Å; A405-V407 PolarHBondContact O-N 3.28Å; A405-G451 WeakPolarHBondContact O-CA 3.45Å; A405-G451 PolarHBondContact O-N 3Å
406	P	92.8	Very high	91.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.			trans	-79.8	71.4	173.1	31.6	-30.2	0	0	0	109	W340 S374 L375 R378 G404 L436 Y440	W340-P406 HydrophobicContact CH2-CB 4.36Å; W340-P406 HydrophobicContact CH2-CG 4.49Å; W340-P406 HydrophobicContact CZ2-CB 4.16Å; S374-P406 VanDerWaalsContact C-CD 3.44Å; S374-P406 WeakPolarHBondContact O-CD 3.47Å; L375-P406 HydrophobicContact CD2-CG 3.85Å; R378-P406 HydrophobicContact CB-CG 4.2Å; R378-P406 WeakPolarHBondContact CD-O 3.33Å; R378-P406 PolarHBondContact NH1-O 3.17Å; G404-P406 WeakPolarHBondContact O-CD 3.45Å; P406-L436 HydrophobicContact CB-CD2 3.7Å; P406-Y440 HydrophobicContact CB-CD2 3.66Å; P406-Y440 HydrophobicContact CB-CE2 3.77Å; P406-Y440 HydrophobicContact CB-CG 4.11Å; P406-Y440 WeakPolarHBondContact O-CE2 3.35Å; P406-Y440 PolarHBondContact O-OH 3.19Å
407	V	91.9	Very high	91.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.147	C	C	.	.	S	Bend	trans	-141	164.2	-178.1	-60.8	0	0	0	0	110.7	R378 Y381 A405 G409 W414 V449 A450	R378-V407 HydrophobicContact CB-CG1 3.87Å; R378-V407 HydrophobicContact CG-CG1 3.78Å; Y381-V407 HydrophobicContact CD1-CB 4.14Å; Y381-V407 HydrophobicContact CD1-CG1 3.87Å; Y381-V407 HydrophobicContact CD2-CB 3.82Å; Y381-V407 HydrophobicContact CD2-CG1 4.08Å; Y381-V407 HydrophobicContact CD2-CG2 3.63Å; Y381-V407 HydrophobicContact CE1-CB 4.38Å; Y381-V407 HydrophobicContact CE2-CB 4.03Å; Y381-V407 HydrophobicContact CE2-CG2 3.98Å; Y381-V407 HydrophobicContact CG-CB 3.88Å; Y381-V407 HydrophobicContact CG-CG1 3.64Å; Y381-V407 HydrophobicContact CG-CG2 4.09Å; A405-V407 HydrophobicContact CB-CG2 3.8Å; A405-V407 PolarHBondContact O-N 3.28Å; V407-G409 PolarHBondContact O-N 2.91Å; V407-W414 HydrophobicContact CG2-CZ2 3.94Å; V407-V449 WeakPolarHBondContact O-CA 3.4Å; V407-A450 HydrophobicContact CG2-CB 3.66Å; V407-A450 PolarHBondContact O-N 3.29Å
408	D	88.8	Confident	91.6	Very high	31 Å²	31	31 Å²	31	17%	0.166	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-60.6	127.5	177.7	-179.5	24.6	0	0	0	111.3	S410 W414	D408-S410 VanDerWaalsContact C-N 3.34Å; D408-S410 VanDerWaalsContact OD1-CB 3.32Å; D408-S410 WeakPolarHBondContact OD1-CB 3.42Å; D408-S410 PolarHBondContact OD1-N 3.38Å; D408-S410 VanDerWaalsContact OD2-CB 3.3Å; D408-S410 WeakPolarHBondContact OD2-CB 3.4Å; D408-S410 PolarHBondContact OD2-OG 3.49Å; D408-W414 PolarHBondContact O-NE1 2.92Å
409	G	85.3	Confident	91.4	Very high	9 Å²	9	37.4 Å²	37.4	9%	0.093	17%	0.173	C	C	.	.			trans	-87.5	4.5	174.1	0	0	0	0	0	114.2	V407 S448	V407-G409 PolarHBondContact O-N 2.91Å; G409-S448 VanDerWaalsContact CA-OG 3.31Å; G409-S448 WeakPolarHBondContact CA-OG 3.48Å; G409-S448 PolarHBondContact N-O 3.46Å
410	S	85.3	Confident	91.2	Very high	42 Å²	42	36.2 Å²	36.2	29%	0.294	17%	0.167	S	C	.	.			trans	-69.5	135.3	-176.5	82.7	0	0	0	0	113.7	D408 K412 S413 W414	D408-S410 VanDerWaalsContact C-N 3.34Å; D408-S410 VanDerWaalsContact OD1-CB 3.32Å; D408-S410 WeakPolarHBondContact OD1-CB 3.42Å; D408-S410 PolarHBondContact OD1-N 3.38Å; D408-S410 VanDerWaalsContact OD2-CB 3.3Å; D408-S410 WeakPolarHBondContact OD2-CB 3.4Å; D408-S410 PolarHBondContact OD2-OG 3.49Å; S410-K412 VanDerWaalsContact C-N 3.31Å; S410-K412 PolarHBondContact O-N 2.91Å; S410-S413 PolarHBondContact O-N 2.87Å; S410-W414 VanDerWaalsContact O-CD1 3.23Å
411	E	86.8	Confident	91.1	Very high	94 Å²	94	36.3 Å²	36.3	44%	0.439	17%	0.167	S	C	.	.	H	α-helix	trans	-54.7	-42.5	-171.6	-62.7	177	-169.3	0	0	113.4	S413 W414 E415 N456 I457	E411-S413 VanDerWaalsContact C-N 3.28Å; E411-S413 PolarHBondContact O-N 3.35Å; E411-W414 PolarHBondContact O-N 3.24Å; E411-W414 VanDerWaalsContact O-N 3.11Å; E411-E415 WeakPolarHBondContact O-CG 3.5Å; E411-E415 PolarHBondContact O-N 3.06Å; E411-N456 WeakPolarHBondContact CG-O 3.08Å; E411-I457 HydrophobicContact CB-CD1 4.27Å; E411-I457 HydrophobicContact CB-CG1 3.93Å; E411-I457 HydrophobicContact CG-CG1 3.9Å; E411-I457 WeakPolarHBondContact O-CD1 3.22Å
412	K	85.8	Confident	90.9	Very high	154 Å²	154	36 Å²	36	67%	0.67	17%	0.166	S	C	*	.	H	α-helix	trans	-56.3	-37	-175.7	-67.8	-177.5	179.7	177.1	0	114	S410	S410-K412 VanDerWaalsContact C-N 3.31Å; S410-K412 PolarHBondContact O-N 2.91Å
413	S	85.8	Confident	90.7	Very high	21 Å²	21	36.4 Å²	36.4	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-71.7	-41.4	-178.6	-65.3	0	0	0	0	110.8	Y381 S410 E411 R416 M417	Y381-S413 VanDerWaalsContact OH-CB 3.28Å; Y381-S413 WeakPolarHBondContact OH-CB 3.31Å; S410-S413 PolarHBondContact O-N 2.87Å; E411-S413 VanDerWaalsContact C-N 3.28Å; E411-S413 PolarHBondContact O-N 3.35Å; S413-R416 PolarHBondContact O-N 3.5Å; S413-M417 WeakPolarHBondContact O-CG 3.45Å; S413-M417 PolarHBondContact O-N 2.94Å
414	W	91.7	Very high	90.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-73.7	-36	-178.5	-68.7	98.2	0	0	0	113	Y381 L402 V407 D408 S410 E411 R416 M417 V418 I425 A450 I455 I457 I462	Y381-W414 AromaticContact CD2-CH2 3.99Å; Y381-W414 HydrophobicContact CD2-CH2 3.99Å; Y381-W414 AromaticContact CD2-CZ2 3.85Å; Y381-W414 HydrophobicContact CD2-CZ2 3.85Å; Y381-W414 AromaticContact CE2-CE2 3.98Å; Y381-W414 HydrophobicContact CE2-CH2 4.39Å; Y381-W414 AromaticContact CE2-CZ2 3.85Å; Y381-W414 HydrophobicContact CE2-CZ2 3.85Å; L402-W414 HydrophobicContact CD1-CH2 3.41Å; L402-W414 VanDerWaalsContact CD1-CH2 3.41Å; L402-W414 HydrophobicContact CD1-CZ3 3.71Å; V407-W414 HydrophobicContact CG2-CZ2 3.94Å; D408-W414 PolarHBondContact O-NE1 2.92Å; S410-W414 VanDerWaalsContact O-CD1 3.23Å; E411-W414 PolarHBondContact O-N 3.24Å; E411-W414 VanDerWaalsContact O-N 3.11Å; W414-R416 PolarHBondContact O-N 3.33Å; W414-R416 VanDerWaalsContact O-N 3.15Å; W414-M417 HydrophobicContact CB-CE 4.27Å; W414-M417 HydrophobicContact CD2-CE 3.37Å; W414-M417 HydrophobicContact CE3-CE 3.31Å; W414-M417 HydrophobicContact CG-CE 3.84Å; W414-M417 HydrophobicContact CH2-CE 4.23Å; W414-M417 HydrophobicContact CZ2-CE 4.28Å; W414-M417 HydrophobicContact CZ3-CE 3.77Å; W414-M417 PolarHBondContact O-N 2.69Å; W414-M417 VanDerWaalsContact O-N 3.11Å; W414-V418 WeakPolarHBondContact O-CB 3.44Å; W414-V418 WeakPolarHBondContact O-CG2 3.29Å; W414-V418 PolarHBondContact O-N 3.45Å; W414-I425 HydrophobicContact CE3-CG2 4.46Å; W414-I425 HydrophobicContact CZ3-CG2 3.94Å; W414-A450 HydrophobicContact CZ2-CB 3.74Å; W414-I455 HydrophobicContact CB-CG2 4.21Å; W414-I455 HydrophobicContact CD2-CD1 3.72Å; W414-I455 HydrophobicContact CD2-CG1 4.36Å; W414-I455 HydrophobicContact CD2-CG2 4.1Å; W414-I455 VanDerWaalsContact CE2-CD1 3.49Å; W414-I455 HydrophobicContact CE3-CD1 3.8Å; W414-I455 HydrophobicContact CG-CG2 3.8Å; W414-I455 HydrophobicContact CH2-CD1 3.49Å; W414-I455 VanDerWaalsContact CH2-CD1 3.49Å; W414-I455 HydrophobicContact CZ2-CD1 3.41Å; W414-I455 VanDerWaalsContact CZ2-CD1 3.41Å; W414-I455 HydrophobicContact CZ2-CG1 4.19Å; W414-I455 HydrophobicContact CZ3-CD1 3.7Å; W414-I457 HydrophobicContact CB-CD1 3.16Å; W414-I457 HydrophobicContact CG-CD1 4.06Å; W414-I462 HydrophobicContact CB-CD1 4.47Å
415	E	90.3	Very high	90.7	Very high	97 Å²	97	41.2 Å²	41.2	45%	0.453	19%	0.188	S	C	.	.	H	α-helix	trans	-53.7	-34.8	173.3	-75.3	178.4	165.9	0	0	112.8	E411 I457	E411-E415 WeakPolarHBondContact O-CG 3.5Å; E411-E415 PolarHBondContact O-N 3.06Å; E415-I457 HydrophobicContact CG-CG2 4.27Å
416	R	89.1	Confident	90.8	Very high	151 Å²	151	41.3 Å²	41.3	57%	0.57	19%	0.188	S	C	*	.	H	α-helix	trans	-75.8	-46.4	176.6	-61.8	-179.1	-164.9	160.4	3.9	111.5	A388 S413 W414 V418 R419	A388-R416 HydrophobicContact CB-CB 4.43Å; A388-R416 WeakPolarHBondContact CB-O 3.32Å; S413-R416 PolarHBondContact O-N 3.5Å; W414-R416 PolarHBondContact O-N 3.33Å; W414-R416 VanDerWaalsContact O-N 3.15Å; R416-V418 VanDerWaalsContact C-N 3.29Å; R416-V418 PolarHBondContact O-N 3.34Å; R416-R419 WeakPolarHBondContact O-CB 3.49Å; R416-R419 PolarHBondContact O-N 2.9Å
417	M	91.4	Very high	91	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-65.3	-33.3	-178.1	-67.3	-172	-62.5	0	0	112.7	Y381 L384 Q385 S413 W414 R419 V420	Y381-M417 HydrophobicContact CD2-CE 3.54Å; Y381-M417 HydrophobicContact CD2-SD 3.79Å; Y381-M417 HydrophobicContact CE2-CE 3.26Å; Y381-M417 HydrophobicContact CE2-SD 3.85Å; Y381-M417 HydrophobicContact CG-SD 4.27Å; L384-M417 HydrophobicContact CB-CB 4.13Å; L384-M417 HydrophobicContact CB-CG 3.94Å; L384-M417 HydrophobicContact CB-SD 3.79Å; Q385-M417 HydrophobicContact CB-SD 4.4Å; S413-M417 WeakPolarHBondContact O-CG 3.45Å; S413-M417 PolarHBondContact O-N 2.94Å; W414-M417 HydrophobicContact CB-CE 4.27Å; W414-M417 HydrophobicContact CD2-CE 3.37Å; W414-M417 HydrophobicContact CE3-CE 3.31Å; W414-M417 HydrophobicContact CG-CE 3.84Å; W414-M417 HydrophobicContact CH2-CE 4.23Å; W414-M417 HydrophobicContact CZ2-CE 4.28Å; W414-M417 HydrophobicContact CZ3-CE 3.77Å; W414-M417 PolarHBondContact O-N 2.69Å; W414-M417 VanDerWaalsContact O-N 3.11Å; M417-R419 PolarHBondContact O-N 3.29Å; M417-V420 WeakPolarHBondContact O-CG2 3.35Å; M417-V420 PolarHBondContact O-N 3.42Å
418	V	91.5	Very high	91.2	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.03	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57.9	-29	176.5	163.5	0	0	0	0	112.1	W414 R416 V420 V421 I425 D459 R461 I462	W414-V418 WeakPolarHBondContact O-CB 3.44Å; W414-V418 WeakPolarHBondContact O-CG2 3.29Å; W414-V418 PolarHBondContact O-N 3.45Å; R416-V418 VanDerWaalsContact C-N 3.29Å; R416-V418 PolarHBondContact O-N 3.34Å; V418-V420 VanDerWaalsContact C-N 3.31Å; V418-V420 PolarHBondContact O-N 3.03Å; V418-V421 PolarHBondContact O-N 2.86Å; V418-I425 HydrophobicContact CG2-CD1 3.79Å; V418-D459 HydrophobicContact CG1-CB 4.34Å; V418-D459 WeakPolarHBondContact CG1-OD2 3.43Å; V418-R461 PolarHBondContact O-NH1 3.46Å; V418-I462 HydrophobicContact CG2-CD1 3.77Å; V418-I462 HydrophobicContact CG2-CG1 3.93Å
419	R	89.4	Confident	91.5	Very high	137 Å²	137	40.4 Å²	40.4	52%	0.517	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-65.7	-29.9	179.5	-59.6	177.2	-174.9	-174.7	-3.6	113.7	R416 M417	R416-R419 WeakPolarHBondContact O-CB 3.49Å; R416-R419 PolarHBondContact O-N 2.9Å; M417-R419 PolarHBondContact O-N 3.29Å
420	V	91.8	Very high	91.9	Very high	4 Å²	4	40 Å²	40	2%	0.024	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-91.4	-12.5	-178.4	-64.3	0	0	0	0	113.7	L384 L387 A388 M417 V418	L384-V420 HydrophobicContact CD2-CG2 4.24Å; L387-V420 HydrophobicContact CB-CB 4.47Å; L387-V420 HydrophobicContact CB-CG1 4.35Å; L387-V420 HydrophobicContact CB-CG2 4.27Å; A388-V420 HydrophobicContact CB-CG1 3.96Å; A388-V420 HydrophobicContact CB-CG2 4.22Å; M417-V420 WeakPolarHBondContact O-CG2 3.35Å; M417-V420 PolarHBondContact O-N 3.42Å; V418-V420 VanDerWaalsContact C-N 3.31Å; V418-V420 PolarHBondContact O-N 3.03Å
421	V	94.6	Very high	92.2	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-97.3	119.8	178.3	-175.3	0	0	0	0	109.6	L384 I397 E398 V400 V418 I425 R461	L384-V421 HydrophobicContact CD1-CG2 4.32Å; L384-V421 HydrophobicContact CD2-CG2 3.84Å; I397-V421 HydrophobicContact CB-CG2 4.43Å; I397-V421 HydrophobicContact CG2-CG1 4.26Å; I397-V421 HydrophobicContact CG2-CG2 4.03Å; E398-V421 VanDerWaalsContact O-CG1 3.31Å; E398-V421 WeakPolarHBondContact O-CG1 3.27Å; V400-V421 HydrophobicContact CG2-CG1 4.18Å; V400-V421 HydrophobicContact CG2-CG2 3.86Å; V418-V421 PolarHBondContact O-N 2.86Å; V421-I425 HydrophobicContact CB-CD1 3.99Å; V421-I425 HydrophobicContact CB-CG1 3.98Å; V421-I425 HydrophobicContact CG1-CD1 4.34Å; V421-I425 HydrophobicContact CG1-CG1 3.76Å; V421-I425 HydrophobicContact CG2-CD1 3.79Å; V421-I425 HydrophobicContact CG2-CG1 3.99Å; V421-R461 PolarHBondContact O-NH1 3.38Å; V421-R461 VanDerWaalsContact O-NH1 3.09Å
422	A	94.1	Very high	92	Very high	7 Å²	7	43.7 Å²	43.7	6%	0.058	20%	0.197	C	C	.	.	S	Bend	trans	-76.3	-37.1	-179.5	0	0	0	0	0	112.8	F34 A112 R113 V116 I397	F34-A422 HydrophobicContact CE1-CB 4.21Å; F34-A422 WeakPolarHBondContact CE1-O 3.27Å; A112-A422 HydrophobicContact CB-CB 3.84Å; R113-A422 HydrophobicContact CB-CB 4.32Å; R113-A422 HydrophobicContact CG-CB 3.63Å; V116-A422 HydrophobicContact CG2-CB 4Å; I397-A422 WeakPolarHBondContact O-CB 3.26Å; I397-A422 PolarHBondContact O-N 3.42Å
423	G	93.4	Very high	92.1	Very high	7 Å²	7	36.5 Å²	36.5	7%	0.072	17%	0.166	C	C	.	.	S	Bend	trans	-102.9	-135.9	-175.4	0	0	0	0	0	112.1	E398 D399 R461	E398-G423 WeakPolarHBondContact O-CA 3.3Å; E398-G423 PolarHBondContact O-N 3.05Å; D399-G423 WeakPolarHBondContact OD1-CA 3.07Å; G423-R461 WeakPolarHBondContact O-CB 3.34Å; G423-R461 WeakPolarHBondContact O-CD 3.21Å; G423-R461 VanDerWaalsContact O-CG 3.24Å; G423-R461 WeakPolarHBondContact O-CG 3.28Å
424	R	93.9	Very high	91.8	Very high	101 Å²	101	38.6 Å²	38.6	38%	0.381	17%	0.17	S	C	.	.			trans	-93.2	145	-174.2	-60	-178.3	-61.7	146.5	3.7	111.6	D399 V400 R461	D399-R424 WeakPolarHBondContact CA-O 3.48Å; D399-R424 PolarHBondContact OD1-N 2.98Å; V400-R424 PolarHBondContact N-O 2.97Å; R424-R461 CarbonylContact C-O 3.57Å; R424-R461 WeakPolarHBondContact CA-O 3.44Å
425	I	96.4	Very high	91.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	106.2	165.3	-56.8	179.5	0	0	0	107	V400 W414 V418 V421 R461 I462 V463	V400-I425 HydrophobicContact CB-CG1 4.32Å; V400-I425 HydrophobicContact CB-CG2 4.39Å; V400-I425 HydrophobicContact CG1-CG2 4.36Å; V400-I425 CarbonylContact O-C 3.19Å; V400-I425 WeakPolarHBondContact O-CA 3.5Å; W414-I425 HydrophobicContact CE3-CG2 4.46Å; W414-I425 HydrophobicContact CZ3-CG2 3.94Å; V418-I425 HydrophobicContact CG2-CD1 3.79Å; V421-I425 HydrophobicContact CB-CD1 3.99Å; V421-I425 HydrophobicContact CB-CG1 3.98Å; V421-I425 HydrophobicContact CG1-CD1 4.34Å; V421-I425 HydrophobicContact CG1-CG1 3.76Å; V421-I425 HydrophobicContact CG2-CD1 3.79Å; V421-I425 HydrophobicContact CG2-CG1 3.99Å; I425-R461 PolarHBondContact N-O 3.2Å; I425-I462 WeakPolarHBondContact O-CA 3.39Å; I425-V463 PolarHBondContact O-N 3.42Å
426	V	96.9	Very high	91	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.2	177.7	-173.8	0	0	0	0	109.4	V400 V401 L402 V463 V465 V488	V400-V426 PolarHBondContact O-N 3.44Å; V401-V426 HydrophobicContact CB-CB 4.47Å; V401-V426 HydrophobicContact CG1-CB 4.34Å; V401-V426 HydrophobicContact CG2-CB 4.16Å; V401-V426 HydrophobicContact CG2-CG2 4.2Å; L402-V426 PolarHBondContact N-O 3.47Å; V426-V463 CarbonylContact C-O 3.59Å; V426-V463 VanDerWaalsContact CA-O 3.29Å; V426-V463 WeakPolarHBondContact CA-O 3.43Å; V426-V463 HydrophobicContact CG2-CB 4.39Å; V426-V465 HydrophobicContact CG1-CG2 3.88Å; V426-V488 HydrophobicContact CG1-CB 4.04Å; V426-V488 HydrophobicContact CG1-CG1 4.11Å
427	N	96.9	Very high	90.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	100.7	170.3	178.5	43.3	0	0	0	109.3	A450 Q453 I455 V463 N464 V465	N427-A450 PolarHBondContact ND2-O 3.44Å; N427-A450 VanDerWaalsContact ND2-O 3.07Å; N427-A450 PolarHBondContact OD1-O 3.43Å; N427-Q453 PolarHBondContact ND2-O 3.08Å; N427-I455 HydrophobicContact CB-CD1 3.66Å; N427-I455 HydrophobicContact CB-CG1 4.44Å; N427-V463 PolarHBondContact N-O 3.49Å; N427-N464 PolarHBondContact ND2-OD1 3.36Å; N427-N464 WeakPolarHBondContact O-CA 3.49Å; N427-V465 PolarHBondContact O-N 3.47Å
428	G	96.5	Very high	89.6	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108	170.7	0	0	0	0	0	109.8	L402 L403 G404 V465 Y477	L402-G428 PolarHBondContact O-N 3.47Å; L403-G428 CarbonylContact C-O 3.55Å; L403-G428 WeakPolarHBondContact CA-O 3.3Å; G404-G428 PolarHBondContact N-O 2.99Å; G428-V465 WeakPolarHBondContact CA-O 3.47Å; G428-Y477 PolarHBondContact O-OH 3.44Å
429	Y	95.2	Very high	88.7	Confident	14 Å²	14	30.2 Å²	30.2	6%	0.055	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	154.1	-175.8	70.2	-84.7	0	0	0	111.6	R431 G451 P454 N464 V465 D466 L467	Y429-R431 HydrophobicContact CD2-CG 4.15Å; Y429-R431 HydrophobicContact CE2-CG 3.84Å; Y429-R431 PolarHBondContact OH-NH2 3.37Å; Y429-G451 WeakPolarHBondContact CA-O 3.47Å; Y429-G451 WeakPolarHBondContact CB-O 3.45Å; Y429-P454 HydrophobicContact CE1-CB 4.09Å; Y429-N464 HydrophobicContact CE1-CB 4.04Å; Y429-V465 VanDerWaalsContact CD1-O 3.32Å; Y429-V465 WeakPolarHBondContact CD1-O 3.48Å; Y429-V465 PolarHBondContact N-O 3.25Å; Y429-D466 HydrophobicContact CE1-CB 4.15Å; Y429-D466 HydrophobicContact CE2-CB 4.19Å; Y429-L467 PolarHBondContact O-N 2.77Å
430	C	94.1	Very high	88	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.007	12%	0.119	C	C	.	.			trans	-127.8	119.8	173.5	173.1	0	0	0	0	108.9	G432 D433 G451 L452 V471 Y477	C430-G432 VanDerWaalsContact C-N 3.28Å; C430-G432 PolarHBondContact O-N 2.95Å; C430-D433 HydrophobicContact CB-CB 4.2Å; C430-D433 PolarHBondContact O-N 3.18Å; C430-G451 PolarHBondContact N-O 3.38Å; C430-L452 WeakPolarHBondContact O-CD2 3.43Å; C430-V471 HydrophobicContact CB-CB 4.23Å; C430-V471 HydrophobicContact CB-CG1 4.04Å; C430-V471 PolarHBondContact SG-O 3.03Å; C430-Y477 WeakPolarHBondContact CB-OH 3.28Å; C430-Y477 PolarHBondContact N-OH 2.8Å
431	R	89.9	Confident	87.3	Confident	165 Å²	165	28.1 Å²	28.1	62%	0.623	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-30.8	-177.4	-57.1	-179.1	-165.4	-157.3	-3.6	112.2	Y429 D433 D466 S468	Y429-R431 HydrophobicContact CD2-CG 4.15Å; Y429-R431 HydrophobicContact CE2-CG 3.84Å; Y429-R431 PolarHBondContact OH-NH2 3.37Å; R431-D433 VanDerWaalsContact C-N 3.32Å; R431-D466 IonicContact CZ-OD2 3.47Å; R431-D466 VanDerWaalsContact CZ-OD2 3.26Å; R431-D466 IonicContact NE-OD2 2.68Å; R431-D466 PolarHBondContact NE-OD2 3.13Å; R431-D466 IonicContact NH2-OD2 2.73Å; R431-D466 PolarHBondContact NH2-OD2 2.85Å; R431-S468 PolarHBondContact N-OG 3.18Å
432	G	84.1	Confident	86	Confident	48 Å²	48	31.2 Å²	31.2	50%	0.495	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	6	-178.7	0	0	0	0	0	114.5	C430 W434	C430-G432 VanDerWaalsContact C-N 3.28Å; C430-G432 PolarHBondContact O-N 2.95Å; G432-W434 PolarHBondContact O-N 3.31Å
433	D	86.4	Confident	84.4	Confident	2 Å²	2	33 Å²	33	1%	0.011	17%	0.169	C	C	.	.			trans	-69.6	94.9	-179.7	-172.3	-23	0	0	0	110.7	C430 R431 L435 L436 G437 L452 H474	C430-D433 HydrophobicContact CB-CB 4.2Å; C430-D433 PolarHBondContact O-N 3.18Å; R431-D433 VanDerWaalsContact C-N 3.32Å; D433-L435 PolarHBondContact O-N 3.44Å; D433-L435 WeakPolarHBondContact OD1-CB 3.3Å; D433-L435 PolarHBondContact OD1-N 2.88Å; D433-L435 VanDerWaalsContact OD1-N 3.08Å; D433-L436 HydrophobicContact CB-CB 4.43Å; D433-L436 PolarHBondContact O-N 2.9Å; D433-L436 PolarHBondContact OD1-N 3.02Å; D433-L436 WeakPolarHBondContact OD2-CD1 3.36Å; D433-G437 PolarHBondContact O-N 3.38Å; D433-L452 HydrophobicContact CB-CD2 3.8Å; D433-L452 WeakPolarHBondContact O-CD2 3.44Å; D433-H474 WeakPolarHBondContact OD1-CB 3.5Å; D433-H474 IonicContact OD1-CG 3.98Å; D433-H474 IonicContact OD1-ND1 3.61Å; D433-H474 WeakPolarHBondContact OD2-CA 3.19Å; D433-H474 IonicContact OD2-CE1 3.83Å; D433-H474 IonicContact OD2-CG 3.56Å; D433-H474 IonicContact OD2-ND1 2.77Å; D433-H474 PolarHBondContact OD2-ND1 3.47Å
434	W	80.8	Confident	82.9	Confident	65 Å²	65	34.3 Å²	34.3	25%	0.246	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-30.9	-177.8	73.5	-93.6	0	0	0	112.7	L298 L299 L302 L329 G432 G437 F438 L439	L298-W434 HydrophobicContact CD2-CH2 3.4Å; L298-W434 VanDerWaalsContact CD2-CH2 3.4Å; L298-W434 HydrophobicContact CD2-CZ3 3.9Å; L298-W434 HydrophobicContact CG-CH2 3.86Å; L299-W434 HydrophobicContact CD2-CH2 4.5Å; L299-W434 HydrophobicContact CD2-CZ2 3.4Å; L299-W434 HydrophobicContact CG-CZ2 4.28Å; L302-W434 HydrophobicContact CD1-CE3 4.44Å; L302-W434 HydrophobicContact CD1-CH2 3.72Å; L302-W434 HydrophobicContact CD1-CZ2 3.95Å; L302-W434 HydrophobicContact CD1-CZ3 3.97Å; L329-W434 HydrophobicContact CD1-CE3 4.17Å; L329-W434 HydrophobicContact CD1-CZ3 4.16Å; G432-W434 PolarHBondContact O-N 3.31Å; W434-G437 PolarHBondContact O-N 3.48Å; W434-F438 WeakPolarHBondContact O-CB 3.19Å; W434-F438 PolarHBondContact O-N 3.16Å; W434-L439 HydrophobicContact CZ3-CG 4.45Å
435	L	82.3	Confident	81.4	Confident	3 Å²	3	34 Å²	34	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-67.9	-47.5	-177	-167.3	85.2	0	0	0	109.5	M295 W340 D433 L439 Y440 H474	M295-L435 HydrophobicContact CE-CD2 3.37Å; W340-L435 HydrophobicContact CH2-CD2 4.24Å; W340-L435 HydrophobicContact CZ3-CD2 4.12Å; D433-L435 PolarHBondContact O-N 3.44Å; D433-L435 WeakPolarHBondContact OD1-CB 3.3Å; D433-L435 PolarHBondContact OD1-N 2.88Å; D433-L435 VanDerWaalsContact OD1-N 3.08Å; L435-L439 HydrophobicContact CD1-CD1 3.26Å; L435-L439 HydrophobicContact CD1-CG 4.12Å; L435-L439 HydrophobicContact CG-CD1 3.96Å; L435-L439 WeakPolarHBondContact O-CA 3.39Å; L435-L439 VanDerWaalsContact O-CB 3.3Å; L435-L439 WeakPolarHBondContact O-CB 3.37Å; L435-L439 PolarHBondContact O-N 3.38Å; L435-Y440 PolarHBondContact O-N 3.46Å; L435-H474 HydrophobicContact CB-CB 3.68Å; L435-H474 HydrophobicContact CD2-CB 3.67Å; L435-H474 VanDerWaalsContact CD2-CD2 3.49Å; L435-H474 WeakPolarHBondContact CD2-CD2 3.34Å; L435-H474 HydrophobicContact CG-CB 4.31Å
436	L	82.6	Confident	80	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	I	π-helix	trans	-70	-39.4	174	-63.6	-175.1	0	0	0	111.3	W340 P406 D433 F438 Y440 R441 L452	W340-L436 HydrophobicContact CH2-CD2 4.32Å; W340-L436 HydrophobicContact CZ2-CD2 4.47Å; P406-L436 HydrophobicContact CB-CD2 3.7Å; D433-L436 HydrophobicContact CB-CB 4.43Å; D433-L436 PolarHBondContact O-N 2.9Å; D433-L436 PolarHBondContact OD1-N 3.02Å; D433-L436 WeakPolarHBondContact OD2-CD1 3.36Å; L436-F438 VanDerWaalsContact C-N 3.26Å; L436-F438 PolarHBondContact O-N 2.76Å; L436-Y440 WeakPolarHBondContact O-CB 3.45Å; L436-R441 PolarHBondContact O-N 3.24Å; L436-L452 HydrophobicContact CB-CD1 4.12Å; L436-L452 HydrophobicContact CB-CD2 3.75Å; L436-L452 HydrophobicContact CB-CG 3.83Å
437	G	77.4	Confident	78.5	Confident	24 Å²	24	43.9 Å²	43.9	25%	0.247	25%	0.248	C	C	.	.	I	π-helix	trans	-62.3	-31.8	-178.8	0	0	0	0	0	113.7	D433 W434 R441	D433-G437 PolarHBondContact O-N 3.38Å; W434-G437 PolarHBondContact O-N 3.48Å; G437-R441 VanDerWaalsContact O-CD 3.3Å; G437-R441 WeakPolarHBondContact O-CD 3.34Å; G437-R441 WeakPolarHBondContact O-CG 3.34Å
438	F	73.1	Confident	77.7	Confident	52 Å²	52	45.5 Å²	45.5	23%	0.228	26%	0.259	C	S	.	.	I	π-helix	trans	-112.5	-66.1	-178.5	-175.8	-101.4	0	0	0	112.9	L329 L330 A333 W434 L436 Y440 R441 S442	L329-F438 HydrophobicContact CB-CD1 4.47Å; L329-F438 HydrophobicContact CB-CE1 3.96Å; L329-F438 HydrophobicContact CB-CZ 4.01Å; L329-F438 HydrophobicContact CD1-CD1 4.41Å; L329-F438 HydrophobicContact CD2-CB 3.83Å; L329-F438 HydrophobicContact CD2-CD1 3.25Å; L329-F438 HydrophobicContact CD2-CD2 3.32Å; L329-F438 HydrophobicContact CD2-CE1 3.47Å; L329-F438 VanDerWaalsContact CD2-CE1 3.47Å; L329-F438 HydrophobicContact CD2-CE2 3.53Å; L329-F438 HydrophobicContact CD2-CG 3.16Å; L329-F438 HydrophobicContact CD2-CZ 3.59Å; L329-F438 HydrophobicContact CG-CD1 3.42Å; L329-F438 VanDerWaalsContact CG-CD1 3.42Å; L329-F438 HydrophobicContact CG-CD2 4.33Å; L329-F438 HydrophobicContact CG-CE1 3.36Å; L329-F438 HydrophobicContact CG-CE2 4.27Å; L329-F438 HydrophobicContact CG-CG 3.92Å; L329-F438 HydrophobicContact CG-CZ 3.8Å; L330-F438 HydrophobicContact CD2-CZ 3.94Å; L330-F438 HydrophobicContact CG-CZ 4.03Å; A333-F438 HydrophobicContact CB-CE1 4.11Å; W434-F438 WeakPolarHBondContact O-CB 3.19Å; W434-F438 PolarHBondContact O-N 3.16Å; L436-F438 VanDerWaalsContact C-N 3.26Å; L436-F438 PolarHBondContact O-N 2.76Å; F438-Y440 PolarHBondContact O-N 2.84Å; F438-R441 PolarHBondContact O-N 3.45Å; F438-S442 WeakPolarHBondContact O-CB 3.2Å; F438-S442 PolarHBondContact O-N 3.29Å; F438-S442 PolarHBondContact O-OG 2.97Å
439	L	73.8	Confident	77.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-63.3	-43.9	-173.1	-63.3	-175.3	0	0	0	112.5	L298 A333 I336 W434 L435 S442 S443	L298-L439 HydrophobicContact CD2-CD1 3.97Å; A333-L439 HydrophobicContact CB-CD2 3.18Å; I336-L439 HydrophobicContact CG2-CD1 4.05Å; W434-L439 HydrophobicContact CZ3-CG 4.45Å; L435-L439 HydrophobicContact CD1-CD1 3.26Å; L435-L439 HydrophobicContact CD1-CG 4.12Å; L435-L439 HydrophobicContact CG-CD1 3.96Å; L435-L439 WeakPolarHBondContact O-CA 3.39Å; L435-L439 VanDerWaalsContact O-CB 3.3Å; L435-L439 WeakPolarHBondContact O-CB 3.37Å; L435-L439 PolarHBondContact O-N 3.38Å; L439-S442 PolarHBondContact O-OG 3.1Å; L439-S443 VanDerWaalsContact O-CB 3.26Å; L439-S443 WeakPolarHBondContact O-CB 3.45Å; L439-S443 PolarHBondContact O-N 3.29Å; L439-S443 PolarHBondContact O-OG 2.68Å
440	Y	74	Confident	77.1	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.008	26%	0.256	C	S	.	.	I	π-helix	trans	-70	-42.4	179.8	-175.1	-102	0	0	0	111.6	W340 L344 R378 P406 L435 L436 F438 S442 S443 A444 Q446 V449	W340-Y440 AromaticContact CZ2-CD2 4Å; W340-Y440 HydrophobicContact CZ2-CD2 4Å; L344-Y440 HydrophobicContact CD1-CD2 4.45Å; L344-Y440 HydrophobicContact CD1-CE2 4.37Å; L344-Y440 HydrophobicContact CD2-CD2 4.29Å; L344-Y440 HydrophobicContact CD2-CE2 4Å; R378-Y440 PolarHBondContact NH1-OH 3.21Å; P406-Y440 HydrophobicContact CB-CD2 3.66Å; P406-Y440 HydrophobicContact CB-CE2 3.77Å; P406-Y440 HydrophobicContact CB-CG 4.11Å; P406-Y440 WeakPolarHBondContact O-CE2 3.35Å; P406-Y440 PolarHBondContact O-OH 3.19Å; L435-Y440 PolarHBondContact O-N 3.46Å; L436-Y440 WeakPolarHBondContact O-CB 3.45Å; F438-Y440 PolarHBondContact O-N 2.84Å; Y440-S442 PolarHBondContact O-N 3.29Å; Y440-S443 WeakPolarHBondContact CA-OG 3.48Å; Y440-S443 PolarHBondContact O-N 3.46Å; Y440-S443 PolarHBondContact O-OG 2.63Å; Y440-A444 HydrophobicContact CD1-CB 4.45Å; Y440-A444 HydrophobicContact CD2-CB 4.26Å; Y440-A444 HydrophobicContact CE1-CB 4.05Å; Y440-A444 HydrophobicContact CE2-CB 3.84Å; Y440-A444 VanDerWaalsContact O-CB 3.25Å; Y440-A444 WeakPolarHBondContact O-CB 3.38Å; Y440-A444 PolarHBondContact O-N 3.32Å; Y440-Q446 HydrophobicContact CE1-CB 4.36Å; Y440-Q446 PolarHBondContact OH-OE1 3.01Å; Y440-V449 HydrophobicContact CD1-CB 4.27Å; Y440-V449 HydrophobicContact CD1-CG1 3.63Å; Y440-V449 HydrophobicContact CD1-CG2 3.6Å; Y440-V449 HydrophobicContact CE1-CB 4.43Å; Y440-V449 HydrophobicContact CE1-CG1 3.85Å; Y440-V449 HydrophobicContact CE1-CG2 3.89Å
441	R	76.3	Confident	77	Confident	96 Å²	96	44.8 Å²	44.8	36%	0.362	26%	0.256	S	S	.	.	H	α-helix	trans	-62.5	-41.2	177.1	-71.1	-160.5	171	134.5	-8.7	112.7	L436 G437 F438 A445 Q446 L447 V449	L436-R441 PolarHBondContact O-N 3.24Å; G437-R441 VanDerWaalsContact O-CD 3.3Å; G437-R441 WeakPolarHBondContact O-CD 3.34Å; G437-R441 WeakPolarHBondContact O-CG 3.34Å; F438-R441 PolarHBondContact O-N 3.45Å; R441-A445 WeakPolarHBondContact O-CA 3.49Å; R441-A445 PolarHBondContact O-N 3.47Å; R441-A445 VanDerWaalsContact O-N 3.15Å; R441-Q446 WeakPolarHBondContact CG-O 3.37Å; R441-L447 PolarHBondContact NE-O 3Å; R441-L447 PolarHBondContact NH2-O 3.29Å; R441-V449 HydrophobicContact CG-CG2 4.03Å
442	S	67.2	Low	77.1	Confident	67 Å²	67	37.5 Å²	37.5	47%	0.469	23%	0.229	S	C	.	.	H	α-helix	trans	-69.6	-41.8	178.2	62.5	0	0	0	0	112.1	F438 L439 Y440	F438-S442 WeakPolarHBondContact O-CB 3.2Å; F438-S442 PolarHBondContact O-N 3.29Å; F438-S442 PolarHBondContact O-OG 2.97Å; L439-S442 PolarHBondContact O-OG 3.1Å; Y440-S442 PolarHBondContact O-N 3.29Å
443	S	61.9	Low	77.4	Confident	45 Å²	45	38.2 Å²	38.2	32%	0.315	22%	0.22	S	C	.	.	H	α-helix	trans	-76.2	-36.7	-177.9	57.4	0	0	0	0	113.7	L439 Y440	L439-S443 VanDerWaalsContact O-CB 3.26Å; L439-S443 WeakPolarHBondContact O-CB 3.45Å; L439-S443 PolarHBondContact O-N 3.29Å; L439-S443 PolarHBondContact O-OG 2.68Å; Y440-S443 WeakPolarHBondContact CA-OG 3.48Å; Y440-S443 PolarHBondContact O-N 3.46Å; Y440-S443 PolarHBondContact O-OG 2.63Å
444	A	61.7	Low	77.8	Confident	34 Å²	34	41 Å²	41	28%	0.281	24%	0.238	S	C	.	.	H	α-helix	trans	-99.5	-5.5	-174.3	0	0	0	0	0	114.5	Y440 Q446	Y440-A444 HydrophobicContact CD1-CB 4.45Å; Y440-A444 HydrophobicContact CD2-CB 4.26Å; Y440-A444 HydrophobicContact CE1-CB 4.05Å; Y440-A444 HydrophobicContact CE2-CB 3.84Å; Y440-A444 VanDerWaalsContact O-CB 3.25Å; Y440-A444 WeakPolarHBondContact O-CB 3.38Å; Y440-A444 PolarHBondContact O-N 3.32Å; A444-Q446 HydrophobicContact CB-CB 4.37Å; A444-Q446 HydrophobicContact CB-CG 4.34Å; A444-Q446 PolarHBondContact O-N 3.37Å
445	A	61.1	Low	78.3	Confident	93 Å²	93	38 Å²	38	77%	0.769	23%	0.227	S	C	*	.			trans	50.3	27.8	-172.5	0	0	0	0	0	113.9	R441	R441-A445 WeakPolarHBondContact O-CA 3.49Å; R441-A445 PolarHBondContact O-N 3.47Å; R441-A445 VanDerWaalsContact O-N 3.15Å
446	Q	68	Low	78.5	Confident	58 Å²	58	43.7 Å²	43.7	27%	0.271	26%	0.257	S	S	.	.			trans	-103.3	117.9	-179.2	-77.3	178.9	-11	0	0	110.4	Y440 R441 A444	Y440-Q446 HydrophobicContact CE1-CB 4.36Å; Y440-Q446 PolarHBondContact OH-OE1 3.01Å; R441-Q446 WeakPolarHBondContact CG-O 3.37Å; A444-Q446 HydrophobicContact CB-CB 4.37Å; A444-Q446 HydrophobicContact CB-CG 4.34Å; A444-Q446 PolarHBondContact O-N 3.37Å
447	L	64.4	Low	78.8	Confident	153 Å²	153	45.1 Å²	45.1	80%	0.801	26%	0.264	S	S	*	.	S	Bend	trans	-73.6	-37.2	175.6	-67.9	168.8	0	0	0	111.6	R441	R441-L447 PolarHBondContact NE-O 3Å; R441-L447 PolarHBondContact NH2-O 3.29Å
448	S	80.4	Confident	79.1	Confident	34 Å²	34	53.8 Å²	53.8	24%	0.238	30%	0.298	C	S	.	.			trans	-96.4	109.9	-178	-177.4	0	0	0	0	111.5	G409 Q453	G409-S448 VanDerWaalsContact CA-OG 3.31Å; G409-S448 WeakPolarHBondContact CA-OG 3.48Å; G409-S448 PolarHBondContact N-O 3.46Å; S448-Q453 PolarHBondContact OG-NE2 2.9Å
449	V	88.6	Confident	79.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-120.8	120.5	-177	-172.2	0	0	0	0	109.1	V407 Y440 R441 G451 L452 Q453	V407-V449 WeakPolarHBondContact O-CA 3.4Å; Y440-V449 HydrophobicContact CD1-CB 4.27Å; Y440-V449 HydrophobicContact CD1-CG1 3.63Å; Y440-V449 HydrophobicContact CD1-CG2 3.6Å; Y440-V449 HydrophobicContact CE1-CB 4.43Å; Y440-V449 HydrophobicContact CE1-CG1 3.85Å; Y440-V449 HydrophobicContact CE1-CG2 3.89Å; R441-V449 HydrophobicContact CG-CG2 4.03Å; V449-G451 PolarHBondContact O-N 2.98Å; V449-L452 HydrophobicContact CB-CB 4.29Å; V449-L452 HydrophobicContact CB-CD1 3.9Å; V449-L452 HydrophobicContact CB-CG 4.1Å; V449-L452 HydrophobicContact CG1-CD1 4.43Å; V449-L452 HydrophobicContact CG1-CG 4.34Å; V449-L452 HydrophobicContact CG2-CD1 4.05Å; V449-L452 PolarHBondContact O-N 3.5Å; V449-Q453 PolarHBondContact O-N 3.46Å
450	A	91.1	Very high	80.4	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.3	-175.4	0	0	0	0	0	113.2	V407 W414 N427 L452 I455	V407-A450 HydrophobicContact CG2-CB 3.66Å; V407-A450 PolarHBondContact O-N 3.29Å; W414-A450 HydrophobicContact CZ2-CB 3.74Å; N427-A450 PolarHBondContact ND2-O 3.44Å; N427-A450 VanDerWaalsContact ND2-O 3.07Å; N427-A450 PolarHBondContact OD1-O 3.43Å; A450-L452 PolarHBondContact O-N 3.06Å; A450-I455 HydrophobicContact CB-CD1 4.36Å; A450-I455 HydrophobicContact CB-CG1 4.3Å
451	G	91.8	Very high	81.3	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-9.6	176.9	0	0	0	0	0	115.9	A405 Y429 C430 V449	A405-G451 WeakPolarHBondContact O-CA 3.45Å; A405-G451 PolarHBondContact O-N 3Å; Y429-G451 WeakPolarHBondContact CA-O 3.47Å; Y429-G451 WeakPolarHBondContact CB-O 3.45Å; C430-G451 PolarHBondContact N-O 3.38Å; V449-G451 PolarHBondContact O-N 2.98Å
452	L	91.3	Very high	82.1	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.058	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-18.6	-179.3	-68.9	177.6	0	0	0	114.1	C430 D433 L436 V449 A450	C430-L452 WeakPolarHBondContact O-CD2 3.43Å; D433-L452 HydrophobicContact CB-CD2 3.8Å; D433-L452 WeakPolarHBondContact O-CD2 3.44Å; L436-L452 HydrophobicContact CB-CD1 4.12Å; L436-L452 HydrophobicContact CB-CD2 3.75Å; L436-L452 HydrophobicContact CB-CG 3.83Å; V449-L452 HydrophobicContact CB-CB 4.29Å; V449-L452 HydrophobicContact CB-CD1 3.9Å; V449-L452 HydrophobicContact CB-CG 4.1Å; V449-L452 HydrophobicContact CG1-CD1 4.43Å; V449-L452 HydrophobicContact CG1-CG 4.34Å; V449-L452 HydrophobicContact CG2-CD1 4.05Å; V449-L452 PolarHBondContact O-N 3.5Å; A450-L452 PolarHBondContact O-N 3.06Å
453	Q	91.9	Very high	83.5	Confident	64 Å²	64	55.5 Å²	55.5	30%	0.299	31%	0.308	S	S	.	.	S	Bend	trans	-153	159.4	-169.2	71.8	-173.7	-9.3	0	0	111.5	N427 S448 V449	N427-Q453 PolarHBondContact ND2-O 3.08Å; S448-Q453 PolarHBondContact OG-NE2 2.9Å; V449-Q453 PolarHBondContact O-N 3.46Å
454	P	93.6	Very high	85.1	Confident	60 Å²	60	56 Å²	56	39%	0.39	31%	0.307	S	S	.	.			trans	-65.5	145	176.6	28	-35.1	0	0	0	111.6	Y429 N456 N464	Y429-P454 HydrophobicContact CE1-CB 4.09Å; P454-N456 PolarHBondContact O-N 3.34Å; P454-N464 WeakPolarHBondContact CA-OD1 3.41Å; P454-N464 HydrophobicContact CB-CB 3.86Å
455	I	91.8	Very high	86.7	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	30%	0.302	C	S	.	.			trans	-82	112.5	169.5	-60.2	158.6	0	0	0	107.2	W414 N427 A450 I457 I462 N464	W414-I455 HydrophobicContact CB-CG2 4.21Å; W414-I455 HydrophobicContact CD2-CD1 3.72Å; W414-I455 HydrophobicContact CD2-CG1 4.36Å; W414-I455 HydrophobicContact CD2-CG2 4.1Å; W414-I455 VanDerWaalsContact CE2-CD1 3.49Å; W414-I455 HydrophobicContact CE3-CD1 3.8Å; W414-I455 HydrophobicContact CG-CG2 3.8Å; W414-I455 HydrophobicContact CH2-CD1 3.49Å; W414-I455 VanDerWaalsContact CH2-CD1 3.49Å; W414-I455 HydrophobicContact CZ2-CD1 3.41Å; W414-I455 VanDerWaalsContact CZ2-CD1 3.41Å; W414-I455 HydrophobicContact CZ2-CG1 4.19Å; W414-I455 HydrophobicContact CZ3-CD1 3.7Å; N427-I455 HydrophobicContact CB-CD1 3.66Å; N427-I455 HydrophobicContact CB-CG1 4.44Å; A450-I455 HydrophobicContact CB-CD1 4.36Å; A450-I455 HydrophobicContact CB-CG1 4.3Å; I455-I457 HydrophobicContact CG2-CD1 3.6Å; I455-I457 HydrophobicContact CG2-CG1 3.99Å; I455-I457 PolarHBondContact O-N 3.12Å; I455-I462 HydrophobicContact CB-CG2 4.12Å; I455-I462 HydrophobicContact CG2-CD1 3.96Å; I455-I462 HydrophobicContact CG2-CG2 4.35Å; I455-N464 PolarHBondContact N-OD1 2.95Å; I455-N464 PolarHBondContact O-ND2 3.31Å
456	N	87	Confident	88.4	Confident	121 Å²	121	54.1 Å²	54.1	65%	0.647	28%	0.28	S	S	*	.			trans	-95.2	83.3	-172.1	-173.2	59.5	0	0	0	111.5	E411 P454	E411-N456 WeakPolarHBondContact CG-O 3.08Å; P454-N456 PolarHBondContact O-N 3.34Å
457	I	87.6	Confident	89.7	Confident	30 Å²	30	51.4 Å²	51.4	15%	0.154	27%	0.268	C	S	.	.			trans	-129	145.7	179.5	-62.2	169.4	0	0	0	109.5	E411 W414 E415 I455 D459 I462	E411-I457 HydrophobicContact CB-CD1 4.27Å; E411-I457 HydrophobicContact CB-CG1 3.93Å; E411-I457 HydrophobicContact CG-CG1 3.9Å; E411-I457 WeakPolarHBondContact O-CD1 3.22Å; W414-I457 HydrophobicContact CB-CD1 3.16Å; W414-I457 HydrophobicContact CG-CD1 4.06Å; E415-I457 HydrophobicContact CG-CG2 4.27Å; I455-I457 HydrophobicContact CG2-CD1 3.6Å; I455-I457 HydrophobicContact CG2-CG1 3.99Å; I455-I457 PolarHBondContact O-N 3.12Å; I457-D459 HydrophobicContact CG2-CB 4.25Å; I457-D459 PolarHBondContact O-N 3.09Å; I457-I462 HydrophobicContact CB-CD1 4.05Å; I457-I462 HydrophobicContact CD1-CD1 3.81Å; I457-I462 HydrophobicContact CG1-CD1 4.41Å
458	Q	84.1	Confident	91	Very high	206 Å²	206	46.2 Å²	46.2	96%	0.963	24%	0.244	S	C	*	.	S	Bend	trans	-75.3	55.1	176.2	-64.8	-91.7	-14.6	0	0	111.5
459	D	87.5	Confident	91.5	Very high	39 Å²	39	49.7 Å²	49.7	21%	0.209	27%	0.268	C	S	.	.			trans	-137	126.3	173.5	-166.6	-62.3	0	0	0	110.8	V418 I457 R461 I462	V418-D459 HydrophobicContact CG1-CB 4.34Å; V418-D459 WeakPolarHBondContact CG1-OD2 3.43Å; I457-D459 HydrophobicContact CG2-CB 4.25Å; I457-D459 PolarHBondContact O-N 3.09Å; D459-R461 PolarHBondContact O-N 3.33Å; D459-R461 VanDerWaalsContact O-N 3.12Å; D459-R461 WeakPolarHBondContact OD1-CB 3.45Å; D459-R461 WeakPolarHBondContact OD1-CG 3.3Å; D459-R461 IonicContact OD1-CZ 2.77Å; D459-R461 PolarHBondContact OD1-N 3.37Å; D459-R461 IonicContact OD1-NE 3.31Å; D459-R461 PolarHBondContact OD1-NE 3.31Å; D459-R461 IonicContact OD1-NH2 2.75Å; D459-R461 IonicContact OD2-CZ 3.01Å; D459-R461 IonicContact OD2-NE 3.6Å; D459-R461 PolarHBondContact OD2-NE 2.64Å; D459-R461 IonicContact OD2-NH2 2.63Å; D459-R461 PolarHBondContact OD2-NH2 3.31Å; D459-I462 PolarHBondContact O-N 2.73Å
460	H	88.1	Confident	91.5	Very high	125 Å²	125	51.1 Å²	51.1	58%	0.579	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16	-176.1	69.7	53.7	0	0	0	113.7	I462	H460-I462 VanDerWaalsContact C-N 3.33Å
461	R	91.6	Very high	91.4	Very high	22 Å²	22	51.1 Å²	51.1	8%	0.083	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-23.6	-179	-67.3	174.8	-78.5	-172.4	-11.1	111.9	V418 V421 G423 R424 I425 D459 V463	V418-R461 PolarHBondContact O-NH1 3.46Å; V421-R461 PolarHBondContact O-NH1 3.38Å; V421-R461 VanDerWaalsContact O-NH1 3.09Å; G423-R461 WeakPolarHBondContact O-CB 3.34Å; G423-R461 WeakPolarHBondContact O-CD 3.21Å; G423-R461 VanDerWaalsContact O-CG 3.24Å; G423-R461 WeakPolarHBondContact O-CG 3.28Å; R424-R461 CarbonylContact C-O 3.57Å; R424-R461 WeakPolarHBondContact CA-O 3.44Å; I425-R461 PolarHBondContact N-O 3.2Å; D459-R461 PolarHBondContact O-N 3.33Å; D459-R461 VanDerWaalsContact O-N 3.12Å; D459-R461 WeakPolarHBondContact OD1-CB 3.45Å; D459-R461 WeakPolarHBondContact OD1-CG 3.3Å; D459-R461 IonicContact OD1-CZ 2.77Å; D459-R461 PolarHBondContact OD1-N 3.37Å; D459-R461 IonicContact OD1-NE 3.31Å; D459-R461 PolarHBondContact OD1-NE 3.31Å; D459-R461 IonicContact OD1-NH2 2.75Å; D459-R461 IonicContact OD2-CZ 3.01Å; D459-R461 IonicContact OD2-NE 3.6Å; D459-R461 PolarHBondContact OD2-NE 2.64Å; D459-R461 IonicContact OD2-NH2 2.63Å; D459-R461 PolarHBondContact OD2-NH2 3.31Å; R461-V463 PolarHBondContact O-N 2.48Å
462	I	93.9	Very high	91	Very high	18 Å²	18	59.4 Å²	59.4	9%	0.092	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	115.3	178.1	-58.5	-170.1	0	0	0	109.3	W414 V418 I425 I455 I457 D459 H460	W414-I462 HydrophobicContact CB-CD1 4.47Å; V418-I462 HydrophobicContact CG2-CD1 3.77Å; V418-I462 HydrophobicContact CG2-CG1 3.93Å; I425-I462 WeakPolarHBondContact O-CA 3.39Å; I455-I462 HydrophobicContact CB-CG2 4.12Å; I455-I462 HydrophobicContact CG2-CD1 3.96Å; I455-I462 HydrophobicContact CG2-CG2 4.35Å; I457-I462 HydrophobicContact CB-CD1 4.05Å; I457-I462 HydrophobicContact CD1-CD1 3.81Å; I457-I462 HydrophobicContact CG1-CD1 4.41Å; D459-I462 PolarHBondContact O-N 2.73Å; H460-I462 VanDerWaalsContact C-N 3.33Å
463	V	95.3	Very high	90.7	Very high	49 Å²	49	59.2 Å²	59.2	30%	0.297	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107.5	178.6	-177.7	0	0	0	0	108.5	I425 V426 N427 R461 V465	I425-V463 PolarHBondContact O-N 3.42Å; V426-V463 CarbonylContact C-O 3.59Å; V426-V463 VanDerWaalsContact CA-O 3.29Å; V426-V463 WeakPolarHBondContact CA-O 3.43Å; V426-V463 HydrophobicContact CG2-CB 4.39Å; N427-V463 PolarHBondContact N-O 3.49Å; R461-V463 PolarHBondContact O-N 2.48Å; V463-V465 HydrophobicContact CG1-CG2 4.2Å
464	N	95.7	Very high	90.5	Very high	55 Å²	55	56.3 Å²	56.3	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.6	176.5	-66.8	-70.2	0	0	0	110.1	N427 Y429 P454 I455	N427-N464 PolarHBondContact ND2-OD1 3.36Å; N427-N464 WeakPolarHBondContact O-CA 3.49Å; Y429-N464 HydrophobicContact CE1-CB 4.04Å; P454-N464 WeakPolarHBondContact CA-OD1 3.41Å; P454-N464 HydrophobicContact CB-CB 3.86Å; I455-N464 PolarHBondContact N-OD1 2.95Å; I455-N464 PolarHBondContact O-ND2 3.31Å
465	V	96.3	Very high	90.2	Very high	30 Å²	30	54 Å²	54	18%	0.182	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	118.9	178.7	-177.4	0	0	0	0	108.6	V426 N427 G428 Y429 V463 L467 V488	V426-V465 HydrophobicContact CG1-CG2 3.88Å; N427-V465 PolarHBondContact O-N 3.47Å; G428-V465 WeakPolarHBondContact CA-O 3.47Å; Y429-V465 VanDerWaalsContact CD1-O 3.32Å; Y429-V465 WeakPolarHBondContact CD1-O 3.48Å; Y429-V465 PolarHBondContact N-O 3.25Å; V463-V465 HydrophobicContact CG1-CG2 4.2Å; V465-L467 HydrophobicContact CG1-CD2 3.91Å; V465-L467 HydrophobicContact CG1-CG 4.41Å; V465-L467 PolarHBondContact O-N 2.93Å; V465-V488 HydrophobicContact CB-CG1 4.31Å; V465-V488 HydrophobicContact CG1-CG1 4.24Å; V465-V488 HydrophobicContact CG2-CG1 4.43Å
466	D	95.9	Very high	90.1	Very high	59 Å²	59	55.5 Å²	55.5	32%	0.316	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	115.3	175.3	-164.3	-25.9	0	0	0	109.7	Y429 R431 S468	Y429-D466 HydrophobicContact CE1-CB 4.15Å; Y429-D466 HydrophobicContact CE2-CB 4.19Å; R431-D466 IonicContact CZ-OD2 3.47Å; R431-D466 VanDerWaalsContact CZ-OD2 3.26Å; R431-D466 IonicContact NE-OD2 2.68Å; R431-D466 PolarHBondContact NE-OD2 3.13Å; R431-D466 IonicContact NH2-OD2 2.73Å; R431-D466 PolarHBondContact NH2-OD2 2.85Å; D466-S468 WeakPolarHBondContact OD1-CB 3.32Å; D466-S468 PolarHBondContact OD1-N 3.42Å; D466-S468 PolarHBondContact OD1-OG 3.07Å
467	L	95.2	Very high	90.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.262	C	S	.	.			trans	-100.5	8.1	-178.6	-62	173.7	0	0	0	112.5	L403 Y429 V465 S469 V470 V471 Y477 I484 A487 V488	L403-L467 HydrophobicContact CD2-CD1 4.1Å; Y429-L467 PolarHBondContact O-N 2.77Å; V465-L467 HydrophobicContact CG1-CD2 3.91Å; V465-L467 HydrophobicContact CG1-CG 4.41Å; V465-L467 PolarHBondContact O-N 2.93Å; L467-S469 PolarHBondContact O-N 3.43Å; L467-V470 PolarHBondContact O-N 3.48Å; L467-V471 HydrophobicContact CB-CG2 4.15Å; L467-V471 PolarHBondContact O-N 2.92Å; L467-Y477 HydrophobicContact CD1-CE1 3.79Å; L467-I484 HydrophobicContact CD1-CG2 3.78Å; L467-I484 HydrophobicContact CD2-CG2 4.28Å; L467-A487 HydrophobicContact CD2-CB 4.06Å; L467-V488 HydrophobicContact CD2-CG1 4.35Å
468	S	92.2	Very high	90.4	Very high	43 Å²	43	48.6 Å²	48.6	30%	0.301	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.8	-174.8	-51.9	0	0	0	0	113.9	R431 D466	R431-S468 PolarHBondContact N-OG 3.18Å; D466-S468 WeakPolarHBondContact OD1-CB 3.32Å; D466-S468 PolarHBondContact OD1-N 3.42Å; D466-S468 PolarHBondContact OD1-OG 3.07Å
469	S	90.5	Very high	90.6	Very high	107 Å²	107	45.7 Å²	45.7	75%	0.748	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-25.4	173.5	56.9	0	0	0	0	113.5	L467	L467-S469 PolarHBondContact O-N 3.43Å
470	V	89.9	Confident	90.8	Very high	31 Å²	31	47.6 Å²	47.6	19%	0.188	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-40.2	-175.8	179.5	0	0	0	0	111.1	L467 Q480 T483 I484	L467-V470 PolarHBondContact O-N 3.48Å; V470-Q480 HydrophobicContact CG1-CB 3.75Å; V470-Q480 HydrophobicContact CG1-CG 4.13Å; V470-T483 HydrophobicContact CG1-CG2 3.76Å; V470-T483 HydrophobicContact CG2-CG2 3.97Å; V470-I484 HydrophobicContact CG1-CG1 4.02Å
471	V	89	Confident	91.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.217	C	C	.	.			trans	-104.7	117.4	-176.4	178.2	0	0	0	0	108.5	C430 L467 G473 D476 Y477 I484	C430-V471 HydrophobicContact CB-CB 4.23Å; C430-V471 HydrophobicContact CB-CG1 4.04Å; C430-V471 PolarHBondContact SG-O 3.03Å; L467-V471 HydrophobicContact CB-CG2 4.15Å; L467-V471 PolarHBondContact O-N 2.92Å; V471-G473 VanDerWaalsContact CG1-O 3.28Å; V471-G473 WeakPolarHBondContact CG1-O 3.19Å; V471-D476 HydrophobicContact CG1-CB 4.16Å; V471-Y477 HydrophobicContact CG1-CD2 3.84Å; V471-Y477 HydrophobicContact CG1-CE2 3.69Å; V471-Y477 HydrophobicContact CG1-CG 4.31Å; V471-Y477 HydrophobicContact CG2-CD1 4.12Å; V471-Y477 HydrophobicContact CG2-CE1 4.12Å; V471-Y477 HydrophobicContact CG2-CG 4.39Å; V471-I484 HydrophobicContact CG2-CD1 3.58Å; V471-I484 HydrophobicContact CG2-CG1 4.13Å
472	K	83.4	Confident	91	Very high	173 Å²	173	44.4 Å²	44.4	75%	0.752	23%	0.233	S	C	*	.	S	Bend	trans	-97.5	-20.4	177	-62.2	-174.6	179	-177.8	0	112.7	D476	K472-D476 WeakPolarHBondContact CB-OD2 3.3Å; K472-D476 PolarHBondContact N-OD2 3.43Å; K472-D476 VanDerWaalsContact N-OD2 3.12Å
473	G	83.8	Confident	90.9	Very high	8 Å²	8	46.8 Å²	46.8	8%	0.082	25%	0.248	C	C	.	.	S	Bend	trans	-159.5	171.3	171.3	0	0	0	0	0	112.2	V471 L475 D476	V471-G473 VanDerWaalsContact CG1-O 3.28Å; V471-G473 WeakPolarHBondContact CG1-O 3.19Å; G473-L475 VanDerWaalsContact C-N 3.3Å; G473-L475 PolarHBondContact O-N 3.36Å; G473-L475 VanDerWaalsContact O-N 3.17Å; G473-D476 PolarHBondContact N-OD2 2.89Å; G473-D476 VanDerWaalsContact O-CB 3.32Å; G473-D476 WeakPolarHBondContact O-CB 3.26Å; G473-D476 PolarHBondContact O-N 2.95Å
474	H	87.3	Confident	90.9	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-40.5	-170.9	-154.6	72.1	0	0	0	114.7	W256 S374 G404 D433 L435 D476 Y477	W256-H474 WeakPolarHBondContact CH2-O 3.25Å; W256-H474 AromaticContact CZ3-CD2 3.59Å; W256-H474 AromaticContact CZ3-NE2 3.7Å; S374-H474 WeakPolarHBondContact CB-NE2 3.18Å; S374-H474 PolarHBondContact OG-NE2 2.55Å; G404-H474 PolarHBondContact O-CE1 3.06Å; D433-H474 WeakPolarHBondContact OD1-CB 3.5Å; D433-H474 IonicContact OD1-CG 3.98Å; D433-H474 IonicContact OD1-ND1 3.61Å; D433-H474 WeakPolarHBondContact OD2-CA 3.19Å; D433-H474 IonicContact OD2-CE1 3.83Å; D433-H474 IonicContact OD2-CG 3.56Å; D433-H474 IonicContact OD2-ND1 2.77Å; D433-H474 PolarHBondContact OD2-ND1 3.47Å; L435-H474 HydrophobicContact CB-CB 3.68Å; L435-H474 HydrophobicContact CD2-CB 3.67Å; L435-H474 VanDerWaalsContact CD2-CD2 3.49Å; L435-H474 WeakPolarHBondContact CD2-CD2 3.34Å; L435-H474 HydrophobicContact CG-CB 4.31Å; H474-D476 PolarHBondContact O-N 3.45Å; H474-Y477 WeakPolarHBondContact O-CD2 3.26Å; H474-Y477 PolarHBondContact O-N 3.26Å
475	L	87.6	Confident	90.7	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.063	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.2	-179.6	-66.9	-165.8	0	0	0	113.6	W256 M295 L299 G473 Y477	W256-L475 HydrophobicContact CD2-CD2 4.41Å; W256-L475 HydrophobicContact CH2-CD2 4.35Å; W256-L475 HydrophobicContact CZ2-CD2 3.67Å; M295-L475 HydrophobicContact CB-CD1 4.41Å; M295-L475 HydrophobicContact CB-CD2 4.06Å; M295-L475 HydrophobicContact CE-CD2 3.34Å; M295-L475 HydrophobicContact CE-CG 4.37Å; M295-L475 HydrophobicContact SD-CD2 4.25Å; L299-L475 HydrophobicContact CD1-CB 3.97Å; L299-L475 HydrophobicContact CD1-CD1 3.15Å; L299-L475 HydrophobicContact CD1-CG 3.66Å; L299-L475 HydrophobicContact CG-CD1 3.96Å; G473-L475 VanDerWaalsContact C-N 3.3Å; G473-L475 PolarHBondContact O-N 3.36Å; G473-L475 VanDerWaalsContact O-N 3.17Å; L475-Y477 VanDerWaalsContact C-N 3.29Å; L475-Y477 PolarHBondContact O-N 2.64Å
476	D	89.5	Confident	90.4	Very high	34 Å²	34	43.7 Å²	43.7	18%	0.182	23%	0.231	C	C	.	.	H	α-helix	trans	-72.6	-21.8	178.9	-66	-26.8	0	0	0	112.5	V471 K472 G473 H474 M478 R479 Q480	V471-D476 HydrophobicContact CG1-CB 4.16Å; K472-D476 WeakPolarHBondContact CB-OD2 3.3Å; K472-D476 PolarHBondContact N-OD2 3.43Å; K472-D476 VanDerWaalsContact N-OD2 3.12Å; G473-D476 PolarHBondContact N-OD2 2.89Å; G473-D476 VanDerWaalsContact O-CB 3.32Å; G473-D476 WeakPolarHBondContact O-CB 3.26Å; G473-D476 PolarHBondContact O-N 2.95Å; H474-D476 PolarHBondContact O-N 3.45Å; D476-M478 PolarHBondContact O-N 2.81Å; D476-R479 PolarHBondContact O-N 3.34Å; D476-R479 IonicContact OD1-NH1 3.69Å; D476-Q480 HydrophobicContact CB-CG 4.46Å; D476-Q480 WeakPolarHBondContact O-CB 3.05Å; D476-Q480 PolarHBondContact O-N 3.47Å
477	Y	91.6	Very high	90.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-53.5	-42.4	175.3	-82.1	-78.8	0	0	0	111.8	L403 G404 G428 C430 L467 V471 H474 L475 M481 I484	L403-Y477 HydrophobicContact CB-CD1 3.87Å; L403-Y477 HydrophobicContact CB-CE1 3.9Å; G404-Y477 VanDerWaalsContact CA-OH 3.29Å; G404-Y477 WeakPolarHBondContact CA-OH 3.36Å; G404-Y477 PolarHBondContact N-OH 2.88Å; G428-Y477 PolarHBondContact O-OH 3.44Å; C430-Y477 WeakPolarHBondContact CB-OH 3.28Å; C430-Y477 PolarHBondContact N-OH 2.8Å; L467-Y477 HydrophobicContact CD1-CE1 3.79Å; V471-Y477 HydrophobicContact CG1-CD2 3.84Å; V471-Y477 HydrophobicContact CG1-CE2 3.69Å; V471-Y477 HydrophobicContact CG1-CG 4.31Å; V471-Y477 HydrophobicContact CG2-CD1 4.12Å; V471-Y477 HydrophobicContact CG2-CE1 4.12Å; V471-Y477 HydrophobicContact CG2-CG 4.39Å; H474-Y477 WeakPolarHBondContact O-CD2 3.26Å; H474-Y477 PolarHBondContact O-N 3.26Å; L475-Y477 VanDerWaalsContact C-N 3.29Å; L475-Y477 PolarHBondContact O-N 2.64Å; Y477-M481 PolarHBondContact O-N 2.99Å; Y477-I484 HydrophobicContact CD1-CD1 3.87Å
478	M	89.9	Confident	89.9	Confident	7 Å²	7	43.5 Å²	43.5	3%	0.034	24%	0.238	C	C	.	.	H	α-helix	trans	-74.7	-31.5	179.8	-171.2	178.3	67.3	0	0	112.6	W256 C258 Y262 P268 F373 D476	W256-M478 HydrophobicContact CH2-CB 4.06Å; W256-M478 HydrophobicContact CZ2-CB 3.46Å; W256-M478 VanDerWaalsContact CZ2-CB 3.46Å; W256-M478 HydrophobicContact CZ2-CE 4.39Å; W256-M478 HydrophobicContact CZ2-CG 4.42Å; W256-M478 HydrophobicContact CZ2-SD 4.26Å; C258-M478 HydrophobicContact CB-CE 3.92Å; C258-M478 VanDerWaalsContact SG-CE 3.53Å; Y262-M478 WeakPolarHBondContact CB-SD 3.41Å; Y262-M478 HydrophobicContact CD1-CE 4.15Å; Y262-M478 HydrophobicContact CD1-CG 3.61Å; Y262-M478 HydrophobicContact CD1-SD 3.88Å; Y262-M478 HydrophobicContact CD2-CE 3.57Å; Y262-M478 HydrophobicContact CD2-SD 4.35Å; Y262-M478 HydrophobicContact CE1-CG 3.94Å; Y262-M478 WeakPolarHBondContact CE1-O 3.3Å; Y262-M478 HydrophobicContact CE2-CE 4.29Å; Y262-M478 HydrophobicContact CG-CE 3.49Å; Y262-M478 VanDerWaalsContact CG-CE 3.49Å; Y262-M478 HydrophobicContact CG-CG 3.95Å; Y262-M478 HydrophobicContact CG-SD 3.66Å; P268-M478 HydrophobicContact CB-CG 4.36Å; P268-M478 HydrophobicContact CG-CG 3.96Å; F373-M478 HydrophobicContact CE2-CB 4.09Å; F373-M478 HydrophobicContact CZ-CB 4.21Å; F373-M478 HydrophobicContact CZ-CG 4.17Å; D476-M478 PolarHBondContact O-N 2.81Å
479	R	89.4	Confident	89.7	Confident	144 Å²	144	43.5 Å²	43.5	54%	0.543	24%	0.244	S	C	.	.	H	α-helix	trans	-78.4	-38	-178.8	-65.1	176.8	178.3	172.4	-2.8	112.3	D476	D476-R479 PolarHBondContact O-N 3.34Å; D476-R479 IonicContact OD1-NH1 3.69Å
480	Q	91.8	Very high	89.5	Confident	79 Å²	79	39.4 Å²	39.4	37%	0.369	22%	0.215	S	C	.	.	S	Bend	trans	-99.5	14.8	-175.5	-63.2	-69.9	-1.2	0	0	112.9	V470 D476 D482 T483 I484	V470-Q480 HydrophobicContact CG1-CB 3.75Å; V470-Q480 HydrophobicContact CG1-CG 4.13Å; D476-Q480 HydrophobicContact CB-CG 4.46Å; D476-Q480 WeakPolarHBondContact O-CB 3.05Å; D476-Q480 PolarHBondContact O-N 3.47Å; Q480-D482 PolarHBondContact O-N 3.01Å; Q480-D482 VanDerWaalsContact O-N 3.13Å; Q480-T483 PolarHBondContact O-N 3.03Å; Q480-I484 HydrophobicContact CB-CD1 4.01Å; Q480-I484 HydrophobicContact CB-CG1 4.28Å; Q480-I484 VanDerWaalsContact O-CG1 3.3Å; Q480-I484 WeakPolarHBondContact O-CG1 3.4Å; Q480-I484 PolarHBondContact O-N 2.64Å
481	M	92.9	Very high	89.1	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-53.1	-40.4	-173.4	-171.5	57.6	73.3	0	0	112.2	P268 W269 F373 L403 Y477 T483 I484 L485	P268-M481 HydrophobicContact CB-CE 4.47Å; P268-M481 HydrophobicContact CB-CG 4.46Å; P268-M481 WeakPolarHBondContact O-CB 3.07Å; P268-M481 WeakPolarHBondContact O-CG 3.32Å; W269-M481 HydrophobicContact CE3-CG 4.3Å; W269-M481 HydrophobicContact CE3-SD 4.25Å; W269-M481 HydrophobicContact CH2-CE 3.88Å; W269-M481 HydrophobicContact CH2-SD 4.33Å; W269-M481 HydrophobicContact CZ3-CE 3.82Å; W269-M481 HydrophobicContact CZ3-CG 4.32Å; W269-M481 HydrophobicContact CZ3-SD 3.69Å; F373-M481 HydrophobicContact CB-CE 4.09Å; F373-M481 HydrophobicContact CD1-CE 3.48Å; F373-M481 VanDerWaalsContact CD1-CE 3.48Å; F373-M481 HydrophobicContact CE1-CE 4.01Å; F373-M481 HydrophobicContact CG-CE 3.86Å; L403-M481 HydrophobicContact CD1-CE 3.99Å; L403-M481 HydrophobicContact CD1-SD 3.74Å; Y477-M481 PolarHBondContact O-N 2.99Å; M481-T483 PolarHBondContact O-N 3.09Å; M481-I484 PolarHBondContact O-N 3.39Å; M481-L485 HydrophobicContact CG-CD1 4.16Å; M481-L485 HydrophobicContact CG-CG 4.11Å; M481-L485 WeakPolarHBondContact O-CB 3.3Å; M481-L485 VanDerWaalsContact O-CG 3.26Å; M481-L485 WeakPolarHBondContact O-CG 3.31Å; M481-L485 PolarHBondContact O-N 3.26Å; M481-L485 HydrophobicContact SD-CD2 4.1Å; M481-L485 HydrophobicContact SD-CG 4.05Å
482	D	90.9	Very high	88.8	Confident	79 Å²	79	44.3 Å²	44.3	42%	0.422	25%	0.247	S	C	.	.	H	α-helix	trans	-58.1	-48.1	178.9	-58.3	-16.9	0	0	0	112.1	S271 Q480 V486	S271-D482 WeakPolarHBondContact CB-OD1 3.4Å; S271-D482 PolarHBondContact OG-OD1 2.91Å; Q480-D482 PolarHBondContact O-N 3.01Å; Q480-D482 VanDerWaalsContact O-N 3.13Å; D482-V486 WeakPolarHBondContact O-CG2 3.3Å; D482-V486 PolarHBondContact O-N 3.46Å
483	T	91.6	Very high	88.4	Confident	68 Å²	68	40.2 Å²	40.2	42%	0.417	23%	0.229	S	C	.	.	H	α-helix	trans	-66.6	-40.3	176.5	-50.2	0	0	0	0	111.4	V470 Q480 M481 V486 A487	V470-T483 HydrophobicContact CG1-CG2 3.76Å; V470-T483 HydrophobicContact CG2-CG2 3.97Å; Q480-T483 PolarHBondContact O-N 3.03Å; M481-T483 PolarHBondContact O-N 3.09Å; T483-V486 PolarHBondContact O-N 2.83Å; T483-A487 WeakPolarHBondContact O-CB 3.43Å; T483-A487 PolarHBondContact O-N 2.92Å
484	I	93.6	Very high	87.2	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-46	-179.4	-67	164.9	0	0	0	110.5	L403 L467 V470 V471 Y477 Q480 M481 V486 A487 V488	L403-I484 HydrophobicContact CD1-CG2 3.82Å; L403-I484 HydrophobicContact CD2-CG2 3.74Å; L403-I484 HydrophobicContact CG-CG2 4.37Å; L467-I484 HydrophobicContact CD1-CG2 3.78Å; L467-I484 HydrophobicContact CD2-CG2 4.28Å; V470-I484 HydrophobicContact CG1-CG1 4.02Å; V471-I484 HydrophobicContact CG2-CD1 3.58Å; V471-I484 HydrophobicContact CG2-CG1 4.13Å; Y477-I484 HydrophobicContact CD1-CD1 3.87Å; Q480-I484 HydrophobicContact CB-CD1 4.01Å; Q480-I484 HydrophobicContact CB-CG1 4.28Å; Q480-I484 VanDerWaalsContact O-CG1 3.3Å; Q480-I484 WeakPolarHBondContact O-CG1 3.4Å; Q480-I484 PolarHBondContact O-N 2.64Å; M481-I484 PolarHBondContact O-N 3.39Å; I484-V486 VanDerWaalsContact C-N 3.27Å; I484-V486 PolarHBondContact O-N 3.34Å; I484-A487 WeakPolarHBondContact O-CB 3.44Å; I484-A487 PolarHBondContact O-N 2.83Å; I484-V488 HydrophobicContact CG2-CG1 4.35Å; I484-V488 VanDerWaalsContact O-CG2 3.26Å; I484-V488 WeakPolarHBondContact O-CG2 3.13Å; I484-V488 PolarHBondContact O-N 3.02Å
485	L	92.1	Very high	85.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-40.7	178.6	-70.5	180	0	0	0	111.7	W269 S271 L272 I371 M481 V488 G489 V490 T492	W269-L485 HydrophobicContact CZ3-CD2 4.4Å; S271-L485 WeakPolarHBondContact OG-CD1 3.48Å; L272-L485 HydrophobicContact CD1-CD1 4.35Å; I371-L485 HydrophobicContact CD1-CD2 3.37Å; M481-L485 HydrophobicContact CG-CD1 4.16Å; M481-L485 HydrophobicContact CG-CG 4.11Å; M481-L485 WeakPolarHBondContact O-CB 3.3Å; M481-L485 VanDerWaalsContact O-CG 3.26Å; M481-L485 WeakPolarHBondContact O-CG 3.31Å; M481-L485 PolarHBondContact O-N 3.26Å; M481-L485 HydrophobicContact SD-CD2 4.1Å; M481-L485 HydrophobicContact SD-CG 4.05Å; L485-V488 WeakPolarHBondContact O-CG2 3.46Å; L485-G489 PolarHBondContact O-N 3.33Å; L485-V490 HydrophobicContact CB-CB 4.36Å; L485-V490 HydrophobicContact CD2-CB 4.08Å; L485-V490 HydrophobicContact CD2-CG1 4.08Å; L485-V490 HydrophobicContact CD2-CG2 4.36Å; L485-V490 PolarHBondContact O-N 3.28Å; L485-T492 HydrophobicContact CB-CG2 3.55Å; L485-T492 HydrophobicContact CD1-CG2 4.29Å
486	V	90.6	Very high	82.4	Confident	69 Å²	69	59 Å²	59	42%	0.418	34%	0.341	S	S	.	.	H	α-helix	trans	-64.6	-47.7	173.4	176.8	0	0	0	0	110.8	D482 T483 I484 V488 G489 T492	D482-V486 WeakPolarHBondContact O-CG2 3.3Å; D482-V486 PolarHBondContact O-N 3.46Å; T483-V486 PolarHBondContact O-N 2.83Å; I484-V486 VanDerWaalsContact C-N 3.27Å; I484-V486 PolarHBondContact O-N 3.34Å; V486-V488 VanDerWaalsContact C-N 3.31Å; V486-V488 PolarHBondContact O-N 2.93Å; V486-G489 PolarHBondContact O-N 3.38Å; V486-T492 HydrophobicContact CG2-CG2 3.92Å
487	A	90.7	Very high	79.8	Confident	50 Å²	50	61.1 Å²	61.1	41%	0.413	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-36.5	-179	0	0	0	0	0	113.2	L467 T483 I484 G489	L467-A487 HydrophobicContact CD2-CB 4.06Å; T483-A487 WeakPolarHBondContact O-CB 3.43Å; T483-A487 PolarHBondContact O-N 2.92Å; I484-A487 WeakPolarHBondContact O-CB 3.44Å; I484-A487 PolarHBondContact O-N 2.83Å; A487-G489 VanDerWaalsContact C-N 3.27Å; A487-G489 PolarHBondContact O-N 3.19Å
488	V	90.4	Very high	76.9	Confident	6 Å²	6	65.1 Å²	65.1	4%	0.036	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.2	177	-62.1	0	0	0	0	113.7	V401 L403 V426 V465 L467 I484 L485 V486 V490	V401-V488 HydrophobicContact CG1-CG2 4.18Å; L403-V488 HydrophobicContact CD2-CG1 3.91Å; V426-V488 HydrophobicContact CG1-CB 4.04Å; V426-V488 HydrophobicContact CG1-CG1 4.11Å; V465-V488 HydrophobicContact CB-CG1 4.31Å; V465-V488 HydrophobicContact CG1-CG1 4.24Å; V465-V488 HydrophobicContact CG2-CG1 4.43Å; L467-V488 HydrophobicContact CD2-CG1 4.35Å; I484-V488 HydrophobicContact CG2-CG1 4.35Å; I484-V488 VanDerWaalsContact O-CG2 3.26Å; I484-V488 WeakPolarHBondContact O-CG2 3.13Å; I484-V488 PolarHBondContact O-N 3.02Å; L485-V488 WeakPolarHBondContact O-CG2 3.46Å; V486-V488 VanDerWaalsContact C-N 3.31Å; V486-V488 PolarHBondContact O-N 2.93Å; V488-V490 HydrophobicContact CG2-CB 4.22Å; V488-V490 HydrophobicContact CG2-CG2 3.61Å
489	G	86.1	Confident	73.9	Confident	43 Å²	43	70.3 Å²	70.3	44%	0.443	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	30.9	179	0	0	0	0	0	113.5	L485 V486 A487	L485-G489 PolarHBondContact O-N 3.33Å; V486-G489 PolarHBondContact O-N 3.38Å; A487-G489 VanDerWaalsContact C-N 3.27Å; A487-G489 PolarHBondContact O-N 3.19Å
490	V	86.4	Confident	71.2	Confident	20 Å²	20	71.2 Å²	71.2	12%	0.121	45%	0.448	C	S	.	.			trans	-84.8	132.4	169.4	174.4	0	0	0	0	108.1	L272 I371 V401 L485 V488 T492	L272-V490 HydrophobicContact CD1-CG1 3.47Å; L272-V490 VanDerWaalsContact CD1-CG1 3.47Å; I371-V490 HydrophobicContact CD1-CG1 4.45Å; I371-V490 HydrophobicContact CD1-CG2 4.16Å; V401-V490 HydrophobicContact CG1-CG2 4.48Å; V401-V490 HydrophobicContact CG2-CG2 3.92Å; L485-V490 HydrophobicContact CB-CB 4.36Å; L485-V490 HydrophobicContact CD2-CB 4.08Å; L485-V490 HydrophobicContact CD2-CG1 4.08Å; L485-V490 HydrophobicContact CD2-CG2 4.36Å; L485-V490 PolarHBondContact O-N 3.28Å; V488-V490 HydrophobicContact CG2-CB 4.22Å; V488-V490 HydrophobicContact CG2-CG2 3.61Å; V490-T492 PolarHBondContact O-N 3.42Å
491	P	81.8	Confident	68.1	Low	92 Å²	92	73.8 Å²	73.8	60%	0.597	47%	0.469	S	S	*	.			trans	-57.8	125.8	177.4	-24.3	34	0	0	0	111.4	G273	G273-P491 WeakPolarHBondContact CA-O 3.47Å; G273-P491 PolarHBondContact N-O 3.06Å
492	T	82.4	Confident	64.9	Low	43 Å²	43	80.3 Å²	80.3	26%	0.264	50%	0.503	S	S	.	.	B	Isolated β-bridge	trans	-111.4	162.6	176	54	0	0	0	0	111	S271 L485 V486 V490 E494	S271-T492 CarbonylContact O-C 3.56Å; S271-T492 WeakPolarHBondContact O-CA 3.18Å; S271-T492 WeakPolarHBondContact O-CB 3.28Å; L485-T492 HydrophobicContact CB-CG2 3.55Å; L485-T492 HydrophobicContact CD1-CG2 4.29Å; V486-T492 HydrophobicContact CG2-CG2 3.92Å; V490-T492 PolarHBondContact O-N 3.42Å; T492-E494 PolarHBondContact O-N 3.06Å
493	K	76.8	Confident	61.8	Low	87 Å²	87	82.3 Å²	82.3	38%	0.378	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-63.7	132.2	170.2	-64	-178.3	177.1	161	0	107.8	S270 S271 E274 V495	S270-K493 WeakPolarHBondContact O-CE 3.17Å; S270-K493 PolarHBondContact O-NZ 3.06Å; S271-K493 PolarHBondContact O-N 2.92Å; E274-K493 HydrophobicContact CG-CD 4.18Å; E274-K493 HydrophobicContact CG-CG 3.82Å; K493-V495 PolarHBondContact O-N 3.37Å; K493-V495 VanDerWaalsContact O-N 3.11Å
494	E	56.8	Low	58.6	Low	190 Å²	190	87.7 Å²	87.7	89%	0.888	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-58.6	119.8	175.8	-73.2	-170.7	175.3	0	0	109.4	T492	T492-E494 PolarHBondContact O-N 3.06Å
495	V	48	Very low	55.3	Low	117 Å²	117	98 Å²	98	71%	0.709	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-92.3	122.4	163.9	-176.2	0	0	0	0	105.7	K493 G497 A498	K493-V495 PolarHBondContact O-N 3.37Å; K493-V495 VanDerWaalsContact O-N 3.11Å; V495-G497 PolarHBondContact O-N 2.75Å; V495-A498 PolarHBondContact O-N 3.1Å
496	A	27.5	Very low	52.1	Low	110 Å²	110	104.1 Å²	104.1	91%	0.909	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	110.2	177.6	0	0	0	0	0	109.8
497	G	34.3	Very low	48.9	Very low	78 Å²	78	111.6 Å²	111.6	80%	0.804	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.5	-4.3	176.8	0	0	0	0	0	117.4	V495 S499	V495-G497 PolarHBondContact O-N 2.75Å; G497-S499 PolarHBondContact O-N 3.22Å
498	A	31.4	Very low	45.9	Very low	83 Å²	83	113 Å²	113	69%	0.686	65%	0.651	S	S	*	*			trans	-89.1	93.1	177	0	0	0	0	0	112	V495 F500	V495-A498 PolarHBondContact O-N 3.1Å; A498-F500 PolarHBondContact O-N 2.65Å
499	S	25.4	Very low	42.8	Very low	116 Å²	116	117.1 Å²	117.1	81%	0.811	69%	0.685	S	S	*	*			trans	-72.2	120.5	170.1	-52.4	0	0	0	0	110.4	G497 V501	G497-S499 PolarHBondContact O-N 3.22Å; S499-V501 PolarHBondContact O-N 2.72Å
500	F	34.3	Very low	40.2	Very low	163 Å²	163	123.9 Å²	123.9	72%	0.715	71%	0.706	S	S	*	*			trans	-75	121.4	175.9	-119.2	-97.4	0	0	0	110.3	A498	A498-F500 PolarHBondContact O-N 2.65Å
501	V	25.1	Very low	37.4	Very low	133 Å²	133	132.1 Å²	132.1	81%	0.806	74%	0.74	S	S	*	*			trans	-98.1	109.1	158.1	-178.5	0	0	0	0	106.2	S499	S499-V501 PolarHBondContact O-N 2.72Å
502	L	27.1	Very low	34.9	Very low	140 Å²	140	132.1 Å²	132.1	73%	0.733	74%	0.738	S	S	*	*			trans	-57	134.9	168.4	-84.4	155.6	0	0	0	108.7	Q504	L502-Q504 PolarHBondContact O-N 2.92Å
503	P	25.9	Very low	32.8	Very low	120 Å²	120	135.4 Å²	135.4	78%	0.779	76%	0.758	S	S	*	*			trans	-58.2	112.2	167.2	-18.5	30	0	0	0	108	Y505	P503-Y505 PolarHBondContact O-N 3.3Å; P503-Y505 VanDerWaalsContact O-N 3.07Å
504	Q	23.3	Very low	30.9	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	77%	0.77	S	S	*	*			trans	-56	116.8	168	-115.7	170.6	-7.2	0	0	106.8	L502 V506	L502-Q504 PolarHBondContact O-N 2.92Å; Q504-V506 PolarHBondContact O-N 3.17Å
505	Y	24.8	Very low	29.9	Very low	217 Å²	217	133.1 Å²	133.1	85%	0.851	76%	0.756	S	S	*	*			trans	-51.2	115	164.3	-169.8	-94.9	0	0	0	106.3	P503 R507	P503-Y505 PolarHBondContact O-N 3.3Å; P503-Y505 VanDerWaalsContact O-N 3.07Å; Y505-R507 VanDerWaalsContact C-N 3.27Å; Y505-R507 PolarHBondContact O-N 3.15Å
506	V	24.9	Very low	29.4	Very low	128 Å²	128	133.3 Å²	133.3	78%	0.776	75%	0.752	S	S	*	*			trans	-60.1	100.4	174.2	175.2	0	0	0	0	105.6	Q504 A508	Q504-V506 PolarHBondContact O-N 3.17Å; V506-A508 PolarHBondContact O-N 2.64Å
507	R	23.5	Very low	30	Very low	225 Å²	225	132.7 Å²	132.7	85%	0.849	73%	0.734	S	S	*	*			trans	-58.1	107.4	168.8	-153.6	179.3	-160.2	179.6	4.3	104.2	Y505 A509	Y505-R507 VanDerWaalsContact C-N 3.27Å; Y505-R507 PolarHBondContact O-N 3.15Å; R507-A509 PolarHBondContact O-N 2.81Å
508	A	26.6	Very low	30.3	Very low	81 Å²	81	136.7 Å²	136.7	67%	0.669	72%	0.724	S	S	*	*			trans	-48.7	114.1	170	0	0	0	0	0	106.2	V506 Q510	V506-A508 PolarHBondContact O-N 2.64Å; A508-Q510 PolarHBondContact O-N 2.96Å
509	A	27.2	Very low	30.7	Very low	91 Å²	91	135.2 Å²	135.2	75%	0.752	71%	0.713	S	S	*	*			trans	-61.8	104.8	178	0	0	0	0	0	106.7	R507 K511	R507-A509 PolarHBondContact O-N 2.81Å; A509-K511 PolarHBondContact O-N 3.28Å
510	Q	30	Very low	31.5	Very low	186 Å²	186	136 Å²	136	87%	0.869	70%	0.701	S	S	*	*			trans	-60	96.6	158.8	-105.7	150.8	-32.9	0	0	106	A508 T512	A508-Q510 PolarHBondContact O-N 2.96Å; Q510-T512 VanDerWaalsContact C-N 3.33Å; Q510-T512 PolarHBondContact O-N 3.38Å
511	K	28.6	Very low	32	Very low	193 Å²	193	135 Å²	135	84%	0.839	70%	0.699	S	S	*	*			trans	-61.5	103.8	159.4	-81.8	-177.1	173.9	-177.5	0	105.9	A509	A509-K511 PolarHBondContact O-N 3.28Å
512	T	29.9	Very low	32.7	Very low	92 Å²	92	135.5 Å²	135.5	56%	0.564	69%	0.692	S	S	*	*			trans	-54.8	133.3	163.9	27.3	0	0	0	0	108.7	Q510 D514	Q510-T512 VanDerWaalsContact C-N 3.33Å; Q510-T512 PolarHBondContact O-N 3.38Å; T512-D514 PolarHBondContact O-N 2.93Å; T512-D514 VanDerWaalsContact O-N 3.09Å
513	V	37	Very low	33.3	Very low	112 Å²	112	135.5 Å²	135.5	68%	0.679	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-8.1	-177.9	172.3	0	0	0	0	112.2	D515	V513-D515 PolarHBondContact O-N 3.36Å
514	D	36.3	Very low	33.9	Very low	118 Å²	118	136.8 Å²	136.8	63%	0.631	68%	0.684	S	S	*	*	H	α-helix	trans	-77	-19	-175.2	-59.6	-30.6	0	0	0	115.3	T512	T512-D514 PolarHBondContact O-N 2.93Å; T512-D514 VanDerWaalsContact O-N 3.09Å
515	D	36.5	Very low	34.7	Very low	110 Å²	110	131.9 Å²	131.9	59%	0.588	67%	0.674	S	S	*	*	H	α-helix	trans	-83.5	-16.6	-179.5	-82.5	-24.8	0	0	0	113.6	V513	V513-D515 PolarHBondContact O-N 3.36Å
516	L	38.3	Very low	35.3	Very low	122 Å²	122	125.4 Å²	125.4	64%	0.639	66%	0.661	S	S	*	*	H	α-helix	trans	-82.5	-23.4	177.8	-102.6	147	0	0	0	113
517	D	39.9	Very low	36	Very low	96 Å²	96	127.3 Å²	127.3	51%	0.513	66%	0.661	S	S	.	*	H	α-helix	trans	-85.5	-35.4	177.1	-73.1	-22.7	0	0	0	111.7	A519 K520 E521	D517-A519 VanDerWaalsContact C-N 3.3Å; D517-A519 PolarHBondContact O-N 3.15Å; D517-K520 PolarHBondContact O-N 2.91Å; D517-E521 PolarHBondContact O-N 3.41Å
518	R	39.7	Very low	36.6	Very low	162 Å²	162	122.2 Å²	122.2	61%	0.611	66%	0.656	S	S	*	*	H	α-helix	trans	-66	-28.9	172.3	-93.9	176.3	69.1	-166.5	1.6	114	K520 Q522	R518-K520 VanDerWaalsContact C-N 3.34Å; R518-Q522 PolarHBondContact O-N 2.66Å
519	A	40.2	Very low	37.1	Very low	53 Å²	53	126.7 Å²	126.7	44%	0.438	66%	0.662	S	S	.	*	H	α-helix	trans	-75.1	-23.8	176.2	0	0	0	0	0	112.9	D517	D517-A519 VanDerWaalsContact C-N 3.3Å; D517-A519 PolarHBondContact O-N 3.15Å
520	K	43.2	Very low	37.3	Very low	133 Å²	133	130 Å²	130	58%	0.578	67%	0.668	S	S	*	*	H	α-helix	trans	-82	-35.6	176.6	-75.4	178.5	178.1	174.9	0	112.7	D517 R518 Q522 H523 Q524	D517-K520 PolarHBondContact O-N 2.91Å; R518-K520 VanDerWaalsContact C-N 3.34Å; K520-Q522 VanDerWaalsContact C-N 3.35Å; K520-Q522 PolarHBondContact O-N 3.47Å; K520-H523 PolarHBondContact O-N 3.17Å; K520-Q524 PolarHBondContact O-N 3.04Å
521	E	43	Very low	37.6	Very low	141 Å²	141	127 Å²	127	66%	0.659	66%	0.664	S	S	*	*	H	α-helix	trans	-68.6	-32.4	176.5	-71.7	-177.5	161.6	0	0	112.7	D517 A525	D517-E521 PolarHBondContact O-N 3.41Å; E521-A525 PolarHBondContact O-N 2.92Å
522	Q	41	Very low	37.6	Very low	143 Å²	143	122.4 Å²	122.4	67%	0.668	66%	0.662	S	S	*	*	H	α-helix	trans	-75	-26.5	176.8	-72.6	-172.8	-25.4	0	0	113.6	R518 K520	R518-Q522 PolarHBondContact O-N 2.66Å; K520-Q522 VanDerWaalsContact C-N 3.35Å; K520-Q522 PolarHBondContact O-N 3.47Å
523	H	39.9	Very low	37.6	Very low	140 Å²	140	125.6 Å²	125.6	65%	0.648	67%	0.671	S	S	*	*	H	α-helix	trans	-77.3	-36.4	175.2	-104.4	-67.2	0	0	0	112.6	K520 S526	K520-H523 PolarHBondContact O-N 3.17Å; H523-S526 PolarHBondContact O-N 3.11Å; H523-S526 PolarHBondContact O-OG 2.82Å
524	Q	38.9	Very low	37.3	Very low	148 Å²	148	128.3 Å²	128.3	69%	0.692	67%	0.674	S	S	*	*	H	α-helix	trans	-73	-26.1	177.1	-86.1	179	-18.7	0	0	114.1	K520 S526	K520-Q524 PolarHBondContact O-N 3.04Å; Q524-S526 VanDerWaalsContact C-N 3.31Å
525	A	39.1	Very low	37	Very low	78 Å²	78	128.6 Å²	128.6	65%	0.645	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-17	175.5	0	0	0	0	0	113.7	E521	E521-A525 PolarHBondContact O-N 2.92Å
526	S	38.4	Very low	36.6	Very low	82 Å²	82	130.9 Å²	130.9	57%	0.573	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-15.6	-178.5	74.4	0	0	0	0	114.5	H523 Q524	H523-S526 PolarHBondContact O-N 3.11Å; H523-S526 PolarHBondContact O-OG 2.82Å; Q524-S526 VanDerWaalsContact C-N 3.31Å
527	E	38.5	Very low	36.2	Very low	168 Å²	168	131.3 Å²	131.3	79%	0.785	69%	0.688	S	S	*	*	S	Bend	trans	-92.3	2	-177.4	-75	-173.3	155.5	0	0	114.3
528	T	37.3	Very low	35.8	Very low	118 Å²	118	131.3 Å²	131.3	72%	0.724	70%	0.695	S	S	*	*	S	Bend	trans	-107.1	18.1	-176.5	-11.9	0	0	0	0	115.8
529	Q	36.2	Very low	35.4	Very low	174 Å²	174	128 Å²	128	81%	0.813	70%	0.697	S	S	*	*	S	Bend	trans	-136.7	84.3	174.5	-75.3	-174	-15.9	0	0	113
530	N	31.8	Very low	35	Very low	162 Å²	162	134.3 Å²	134.3	87%	0.866	72%	0.717	S	S	*	*				170.5	125.8	128.4	-94	-15.1	0	0	0	111.8
531	P	35.6	Very low	34.4	Very low	122 Å²	122	136.4 Å²	136.4	79%	0.792	73%	0.729	S	S	*	*			trans	-101.1	150.3	167.6	35.1	-26.2	0	0	0	113.1
532	A	29.2	Very low	33.9	Very low	97 Å²	97	134.6 Å²	134.6	80%	0.802	73%	0.732	S	S	*	*			trans	75.2	112.4	154.2	0	0	0	0	0	119.8
533	E	30.1	Very low	33.7	Very low	158 Å²	158	131.9 Å²	131.9	74%	0.738	73%	0.734	S	S	*	*				-169.2	125.8	102.4	-115.6	-169.8	143.4	0	0	113.8
534	K	30.6	Very low	33.7	Very low	170 Å²	170	136.7 Å²	136.7	74%	0.739	77%	0.765	S	S	*	*			trans	47.8	116.2	138.6	-76.6	177.7	-167.8	141	0	123.2
535	D	29.4	Very low	33.4	Very low	123 Å²	123	136.2 Å²	136.2	66%	0.658	77%	0.768	S	S	*	*				79.4	121.1	106.7	-137.6	25.7	0	0	0	120.3
536	K	29.1	Very low	33.1	Very low	159 Å²	159	139.2 Å²	139.2	69%	0.691	78%	0.775	S	S	*	*			trans	88.2	131.9	142.1	-85.9	168.9	-172.2	134.5	0	123.4
537	T	30	Very low	32.8	Very low	131 Å²	131	142.4 Å²	142.4	80%	0.804	79%	0.786	S	S	*	*			trans	71.5	143.9	145.1	38.5	0	0	0	0	118
538	S	30	Very low	32.5	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	79%	0.786	S	S	*	*			cis	-172.2	144.5	-13.4	58.3	0	0	0	0	107.4
539	S	31.1	Very low	32.2	Very low	92 Å²	92	142.3 Å²	142.3	64%	0.643	79%	0.79	S	S	*	*			trans	27.9	126.9	140.3	59	0	0	0	0	122.2
540	Q	31.5	Very low	31.9	Very low	186 Å²	186	140.2 Å²	140.2	87%	0.869	79%	0.788	S	S	*	*				71.2	155.7	126.4	-80.2	175	-63.3	0	0	122.6
541	E	31.8	Very low	31.9	Very low	176 Å²	176	138.6 Å²	138.6	82%	0.822	78%	0.783	S	S	*	*			trans	88.8	101.9	165.3	-74	-176.9	152	0	0	116
542	S	32	Very low	31.6	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	78%	0.782	S	S	*	*				73.9	120.1	73.8	75.3	0	0	0	0	113.2
543	A	37.3	Very low	31.8	Very low	87 Å²	87	143.5 Å²	143.5	72%	0.719	78%	0.78	S	S	*	*				146.1	129.2	126	0	0	0	0	0	111
544	D	39	Very low	32	Very low	241 Å²	241	142.2 Å²	142.2	100%	1.289	78%	0.784	S	S	*	*			trans	69.4	0	159.8	-59.1	-15	0	0	0	121.3

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