A0A077ZIL3_TRITR Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A077ZIL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 719 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	38.3	Very low	180 Å²	180	119.4 Å²	119.4	89%	0.887	61%	0.606	S	S	*	*				0	104.8	0	-88.7	177.2	137.2	0	0	107.2
2	T	34.6	Very low	39.1	Very low	101 Å²	101	122.7 Å²	122.7	62%	0.62	61%	0.608	S	S	*	*			trans	-69.6	149.3	177.4	44.9	0	0	0	0	110.6	E4 S5	T2-E4 PolarHBondContact O-N 3.07Å; T2-S5 PolarHBondContact O-N 3.37Å; T2-S5 PolarHBondContact O-OG 2.79Å
3	C	33.7	Very low	39.8	Very low	100 Å²	100	120.9 Å²	120.9	68%	0.676	60%	0.595	S	S	*	*	H	α-helix	trans	-50.7	-21.6	178.8	-86.7	0	0	0	0	114.8	L6 R7	C3-L6 PolarHBondContact O-N 3.05Å; C3-R7 PolarHBondContact O-N 2.96Å
4	E	34.5	Very low	40.3	Very low	143 Å²	143	119.2 Å²	119.2	67%	0.668	59%	0.589	S	S	*	*	H	α-helix	trans	-67.2	-36.4	177	-73.2	-178.4	142.5	0	0	113.2	T2 L6 R7 Y8	T2-E4 PolarHBondContact O-N 3.07Å; E4-L6 VanDerWaalsContact C-N 3.27Å; E4-L6 PolarHBondContact O-N 3.03Å; E4-R7 PolarHBondContact O-N 3.2Å; E4-Y8 PolarHBondContact O-N 3.36Å
5	S	39.1	Very low	40.9	Very low	45 Å²	45	118.2 Å²	118.2	32%	0.315	58%	0.577	S	S	.	*	H	α-helix	trans	-65.5	-32	176.7	61.7	0	0	0	0	112	T2 T9	T2-S5 PolarHBondContact O-N 3.37Å; T2-S5 PolarHBondContact O-OG 2.79Å; S5-T9 WeakPolarHBondContact O-CB 3.42Å; S5-T9 PolarHBondContact O-N 3.37Å; S5-T9 PolarHBondContact O-OG1 2.86Å
6	L	34.4	Very low	41.2	Very low	103 Å²	103	117 Å²	117	54%	0.539	57%	0.574	S	S	.	*	H	α-helix	trans	-74.9	-37.9	172.7	-84.7	156.2	0	0	0	112.2	C3 E4 T9 F10	C3-L6 PolarHBondContact O-N 3.05Å; E4-L6 VanDerWaalsContact C-N 3.27Å; E4-L6 PolarHBondContact O-N 3.03Å; L6-T9 PolarHBondContact O-N 2.62Å; L6-F10 WeakPolarHBondContact O-CB 3.41Å; L6-F10 PolarHBondContact O-N 3.43Å
7	R	35.7	Very low	41.4	Very low	200 Å²	200	113.9 Å²	113.9	76%	0.755	56%	0.56	S	S	*	*	H	α-helix	trans	-66.1	-43.3	177.9	-81.2	-176.6	177	180	-0.7	113.3	C3 E4 T9 G11	C3-R7 PolarHBondContact O-N 2.96Å; E4-R7 PolarHBondContact O-N 3.2Å; R7-T9 VanDerWaalsContact C-N 3.3Å; R7-T9 PolarHBondContact O-N 2.87Å; R7-G11 PolarHBondContact O-N 2.87Å
8	Y	42.6	Very low	41.6	Very low	194 Å²	194	114.7 Å²	114.7	76%	0.761	56%	0.56	S	S	*	*	H	α-helix	trans	-64.6	-36.7	175.1	-110.4	-85.7	0	0	0	112	E4 G11 Y12	E4-Y8 PolarHBondContact O-N 3.36Å; Y8-G11 PolarHBondContact O-N 3.26Å; Y8-Y12 PolarHBondContact O-N 3.47Å
9	T	44.6	Very low	41.9	Very low	75 Å²	75	116.8 Å²	116.8	46%	0.46	56%	0.561	S	S	.	*	H	α-helix	trans	-75.1	-38.4	-179.1	-48.9	0	0	0	0	112.1	S5 L6 R7 Y12 F13 F410	S5-T9 WeakPolarHBondContact O-CB 3.42Å; S5-T9 PolarHBondContact O-N 3.37Å; S5-T9 PolarHBondContact O-OG1 2.86Å; L6-T9 PolarHBondContact O-N 2.62Å; R7-T9 VanDerWaalsContact C-N 3.3Å; R7-T9 PolarHBondContact O-N 2.87Å; T9-Y12 PolarHBondContact O-N 3.44Å; T9-F13 WeakPolarHBondContact O-CB 3.37Å; T9-F13 PolarHBondContact O-N 2.85Å; T9-F410 HydrophobicContact CG2-CE2 4.47Å
10	F	41.6	Very low	42.2	Very low	132 Å²	132	114.9 Å²	114.9	58%	0.579	55%	0.553	S	S	*	*	H	α-helix	trans	-68	-37.4	170.2	-102.1	-89.5	0	0	0	112	L6 Y12 F13 N14	L6-F10 WeakPolarHBondContact O-CB 3.41Å; L6-F10 PolarHBondContact O-N 3.43Å; F10-Y12 VanDerWaalsContact C-N 3.34Å; F10-Y12 PolarHBondContact O-N 3.36Å; F10-F13 PolarHBondContact O-N 3.49Å; F10-N14 WeakPolarHBondContact O-CB 3.2Å; F10-N14 PolarHBondContact O-N 3.41Å
11	G	43.6	Very low	42.2	Very low	40 Å²	40	112.7 Å²	112.7	41%	0.412	55%	0.547	S	S	.	.	H	α-helix	trans	-61.3	-40.6	173.4	0	0	0	0	0	112.6	R7 Y8 N14 Y15	R7-G11 PolarHBondContact O-N 2.87Å; Y8-G11 PolarHBondContact O-N 3.26Å; G11-N14 PolarHBondContact O-N 2.97Å; G11-Y15 WeakPolarHBondContact O-CB 3.49Å; G11-Y15 PolarHBondContact O-N 3.49Å
12	Y	47.4	Very low	42.4	Very low	159 Å²	159	106.9 Å²	106.9	62%	0.624	52%	0.521	S	S	*	.	H	α-helix	trans	-75.1	-32.8	176.7	-129.5	-87.7	0	0	0	113.3	Y8 T9 F10 Y15 L16	Y8-Y12 PolarHBondContact O-N 3.47Å; T9-Y12 PolarHBondContact O-N 3.44Å; F10-Y12 VanDerWaalsContact C-N 3.34Å; F10-Y12 PolarHBondContact O-N 3.36Å; Y12-Y15 HydrophobicContact CE1-CD1 4.43Å; Y12-Y15 PolarHBondContact O-N 2.7Å; Y12-L16 WeakPolarHBondContact O-CB 3.26Å; Y12-L16 PolarHBondContact O-N 2.98Å
13	F	48.4	Very low	42.8	Very low	100 Å²	100	104.7 Å²	104.7	44%	0.439	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-44.9	171.1	-172.1	-100.9	0	0	0	110.4	T9 F10 Y15 L16 L17	T9-F13 WeakPolarHBondContact O-CB 3.37Å; T9-F13 PolarHBondContact O-N 2.85Å; F10-F13 PolarHBondContact O-N 3.49Å; F13-Y15 VanDerWaalsContact C-N 3.29Å; F13-Y15 PolarHBondContact O-N 2.85Å; F13-L16 PolarHBondContact O-N 3.06Å; F13-L17 HydrophobicContact CD1-CD1 4.32Å; F13-L17 HydrophobicContact CE1-CD1 3.72Å; F13-L17 HydrophobicContact CE2-CD1 4.47Å; F13-L17 HydrophobicContact CZ-CD1 3.81Å; F13-L17 WeakPolarHBondContact O-CB 3.47Å; F13-L17 PolarHBondContact O-N 3.06Å
14	N	46.9	Very low	43	Very low	97 Å²	97	101.7 Å²	101.7	52%	0.519	50%	0.5	S	S	.	.	H	α-helix	trans	-62.2	-35.3	171.1	-79.1	-12.5	0	0	0	111.8	F10 G11 F18	F10-N14 WeakPolarHBondContact O-CB 3.2Å; F10-N14 PolarHBondContact O-N 3.41Å; G11-N14 PolarHBondContact O-N 2.97Å; N14-F18 WeakPolarHBondContact O-CA 3.47Å; N14-F18 WeakPolarHBondContact O-CB 3.44Å; N14-F18 PolarHBondContact O-N 3.47Å
15	Y	49.4	Very low	43.3	Very low	104 Å²	104	106 Å²	106	41%	0.408	51%	0.51	S	S	.	.	H	α-helix	trans	-70.6	-38.6	175.9	-177.1	-103.6	0	0	0	113.2	G11 Y12 F13 F18 R19	G11-Y15 WeakPolarHBondContact O-CB 3.49Å; G11-Y15 PolarHBondContact O-N 3.49Å; Y12-Y15 HydrophobicContact CE1-CD1 4.43Å; Y12-Y15 PolarHBondContact O-N 2.7Å; F13-Y15 VanDerWaalsContact C-N 3.29Å; F13-Y15 PolarHBondContact O-N 2.85Å; Y15-F18 PolarHBondContact O-N 3.27Å; Y15-R19 HydrophobicContact CD1-CG 4.48Å; Y15-R19 HydrophobicContact CE1-CG 4.13Å; Y15-R19 HydrophobicContact CE2-CG 4.34Å; Y15-R19 WeakPolarHBondContact O-CB 3.38Å; Y15-R19 WeakPolarHBondContact O-CG 3.39Å; Y15-R19 PolarHBondContact O-N 2.84Å; Y15-R19 PolarHBondContact OH-NE 3.43Å; Y15-R19 PolarHBondContact OH-NH2 2.7Å
16	L	45.4	Very low	43.4	Very low	99 Å²	99	110.9 Å²	110.9	52%	0.518	53%	0.532	S	S	.	.	H	α-helix	trans	-70.7	-42	174.8	-160.6	80.7	0	0	0	110.7	Y12 F13 F18 R19 I20	Y12-L16 WeakPolarHBondContact O-CB 3.26Å; Y12-L16 PolarHBondContact O-N 2.98Å; F13-L16 PolarHBondContact O-N 3.06Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-R19 PolarHBondContact O-N 2.97Å; L16-I20 HydrophobicContact CG-CD1 4.19Å; L16-I20 VanDerWaalsContact O-CB 3.26Å; L16-I20 WeakPolarHBondContact O-CB 2.94Å; L16-I20 WeakPolarHBondContact O-CD1 3.33Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 3.17Å
17	L	44.7	Very low	43.5	Very low	65 Å²	65	112.5 Å²	112.5	34%	0.34	54%	0.535	S	S	.	.	H	α-helix	trans	-60.1	-45.2	170.3	-127.8	88.9	0	0	0	110.2	F13 I20 V21	F13-L17 HydrophobicContact CD1-CD1 4.32Å; F13-L17 HydrophobicContact CE1-CD1 3.72Å; F13-L17 HydrophobicContact CE2-CD1 4.47Å; F13-L17 HydrophobicContact CZ-CD1 3.81Å; F13-L17 WeakPolarHBondContact O-CB 3.47Å; F13-L17 PolarHBondContact O-N 3.06Å; L17-I20 CarbonylContact O-C 3.59Å; L17-I20 PolarHBondContact O-N 3.26Å; L17-V21 VanDerWaalsContact O-CB 3.26Å; L17-V21 WeakPolarHBondContact O-CB 3Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 3.33Å
18	F	46	Very low	43.5	Very low	127 Å²	127	108.9 Å²	108.9	56%	0.557	54%	0.54	S	S	*	.	H	α-helix	trans	-67.1	-37.1	-179.8	-175.8	-96.6	0	0	0	111.9	N14 Y15 L16 V21 T22	N14-F18 WeakPolarHBondContact O-CA 3.47Å; N14-F18 WeakPolarHBondContact O-CB 3.44Å; N14-F18 PolarHBondContact O-N 3.47Å; Y15-F18 PolarHBondContact O-N 3.27Å; L16-F18 VanDerWaalsContact C-N 3.33Å; F18-V21 CarbonylContact O-C 3.58Å; F18-V21 PolarHBondContact O-N 3.36Å; F18-T22 HydrophobicContact CD1-CG2 3.93Å; F18-T22 HydrophobicContact CD2-CG2 4.37Å; F18-T22 HydrophobicContact CE1-CG2 3.55Å; F18-T22 HydrophobicContact CE2-CG2 4.03Å; F18-T22 HydrophobicContact CG-CG2 4.32Å; F18-T22 HydrophobicContact CZ-CG2 3.61Å; F18-T22 VanDerWaalsContact O-CB 3.28Å; F18-T22 WeakPolarHBondContact O-CB 3.47Å; F18-T22 VanDerWaalsContact O-CG2 3.32Å; F18-T22 WeakPolarHBondContact O-CG2 3.4Å; F18-T22 PolarHBondContact O-N 2.98Å; F18-T22 PolarHBondContact O-OG1 3.34Å
19	R	46	Very low	43.4	Very low	155 Å²	155	106.1 Å²	106.1	59%	0.585	53%	0.532	S	S	*	.	H	α-helix	trans	-69.9	-34.5	172.5	-80.9	-124.9	177.4	-169.3	-2.5	112.7	Y15 L16 T22 A23	Y15-R19 HydrophobicContact CD1-CG 4.48Å; Y15-R19 HydrophobicContact CE1-CG 4.13Å; Y15-R19 HydrophobicContact CE2-CG 4.34Å; Y15-R19 WeakPolarHBondContact O-CB 3.38Å; Y15-R19 WeakPolarHBondContact O-CG 3.39Å; Y15-R19 PolarHBondContact O-N 2.84Å; Y15-R19 PolarHBondContact OH-NE 3.43Å; Y15-R19 PolarHBondContact OH-NH2 2.7Å; L16-R19 PolarHBondContact O-N 2.97Å; R19-T22 VanDerWaalsContact CA-OG1 3.3Å; R19-T22 WeakPolarHBondContact CA-OG1 3.26Å; R19-T22 PolarHBondContact O-OG1 2.65Å; R19-A23 WeakPolarHBondContact O-CB 3.28Å; R19-A23 PolarHBondContact O-N 3.15Å
20	I	47.9	Very low	43.5	Very low	78 Å²	78	110.4 Å²	110.4	40%	0.4	55%	0.552	S	S	.	*	H	α-helix	trans	-70.5	-35.9	172.8	-73.2	168.9	0	0	0	110.6	L16 L17 G24 F34	L16-I20 HydrophobicContact CG-CD1 4.19Å; L16-I20 VanDerWaalsContact O-CB 3.26Å; L16-I20 WeakPolarHBondContact O-CB 2.94Å; L16-I20 WeakPolarHBondContact O-CD1 3.33Å; L16-I20 WeakPolarHBondContact O-CG1 3.33Å; L16-I20 PolarHBondContact O-N 3.17Å; L17-I20 CarbonylContact O-C 3.59Å; L17-I20 PolarHBondContact O-N 3.26Å; I20-G24 PolarHBondContact O-N 3.5Å; I20-F34 HydrophobicContact CG2-CD2 4.29Å; I20-F34 HydrophobicContact CG2-CE2 3.2Å; I20-F34 HydrophobicContact CG2-CZ 3.57Å
21	V	42	Very low	44	Very low	70 Å²	70	107.3 Å²	107.3	42%	0.424	54%	0.542	S	S	.	.	H	α-helix	trans	-75.1	-38.4	176.1	167.5	0	0	0	0	112.1	L17 F18 G24 F34	L17-V21 VanDerWaalsContact O-CB 3.26Å; L17-V21 WeakPolarHBondContact O-CB 3Å; L17-V21 WeakPolarHBondContact O-CG2 3.39Å; L17-V21 PolarHBondContact O-N 3.33Å; F18-V21 CarbonylContact O-C 3.58Å; F18-V21 PolarHBondContact O-N 3.36Å; V21-G24 WeakPolarHBondContact O-CA 3.09Å; V21-G24 PolarHBondContact O-N 3.27Å; V21-G24 VanDerWaalsContact O-N 3.12Å; V21-F34 HydrophobicContact CG2-CZ 4.19Å
22	T	42	Very low	44.5	Very low	57 Å²	57	109 Å²	109	35%	0.35	55%	0.552	S	S	.	*	H	α-helix	trans	-78.6	-25.9	176.7	49	0	0	0	0	112.3	F18 R19 G24 W25	F18-T22 HydrophobicContact CD1-CG2 3.93Å; F18-T22 HydrophobicContact CD2-CG2 4.37Å; F18-T22 HydrophobicContact CE1-CG2 3.55Å; F18-T22 HydrophobicContact CE2-CG2 4.03Å; F18-T22 HydrophobicContact CG-CG2 4.32Å; F18-T22 HydrophobicContact CZ-CG2 3.61Å; F18-T22 VanDerWaalsContact O-CB 3.28Å; F18-T22 WeakPolarHBondContact O-CB 3.47Å; F18-T22 VanDerWaalsContact O-CG2 3.32Å; F18-T22 WeakPolarHBondContact O-CG2 3.4Å; F18-T22 PolarHBondContact O-N 2.98Å; F18-T22 PolarHBondContact O-OG1 3.34Å; R19-T22 VanDerWaalsContact CA-OG1 3.3Å; R19-T22 WeakPolarHBondContact CA-OG1 3.26Å; R19-T22 PolarHBondContact O-OG1 2.65Å; T22-G24 PolarHBondContact O-N 3.37Å; T22-W25 PolarHBondContact O-N 2.82Å
23	A	43.5	Very low	44.6	Very low	55 Å²	55	106 Å²	106	46%	0.455	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-65.9	-21.7	163.6	0	0	0	0	0	112.4	R19 W25 L26	R19-A23 WeakPolarHBondContact O-CB 3.28Å; R19-A23 PolarHBondContact O-N 3.15Å; A23-W25 PolarHBondContact O-N 2.83Å; A23-L26 PolarHBondContact O-N 3.25Å
24	G	37.9	Very low	44.9	Very low	38 Å²	38	105.4 Å²	105.4	39%	0.392	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-68.7	-12.7	171.5	0	0	0	0	0	114.6	I20 V21 T22 L26 F27	I20-G24 PolarHBondContact O-N 3.5Å; V21-G24 WeakPolarHBondContact O-CA 3.09Å; V21-G24 PolarHBondContact O-N 3.27Å; V21-G24 VanDerWaalsContact O-N 3.12Å; T22-G24 PolarHBondContact O-N 3.37Å; G24-L26 VanDerWaalsContact C-N 3.27Å; G24-L26 PolarHBondContact O-N 2.74Å; G24-F27 VanDerWaalsContact O-O 3.08Å
25	W	40.8	Very low	45.3	Very low	233 Å²	233	108 Å²	108	88%	0.883	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-78.1	-10.8	172.4	-88.2	74.1	0	0	0	113.7	T22 A23	T22-W25 PolarHBondContact O-N 2.82Å; A23-W25 PolarHBondContact O-N 2.83Å
26	L	40	Very low	45.9	Very low	148 Å²	148	108.6 Å²	108.6	78%	0.775	56%	0.56	S	S	*	*	S	Bend	trans	-100.4	-9.4	175.5	-84	156.9	0	0	0	113.4	A23 G24	A23-L26 PolarHBondContact O-N 3.25Å; G24-L26 VanDerWaalsContact C-N 3.27Å; G24-L26 PolarHBondContact O-N 2.74Å
27	F	37.2	Very low	46.8	Very low	137 Å²	137	109 Å²	109	60%	0.601	56%	0.562	S	S	*	*	S	Bend	trans	-141.1	107.2	177.1	-66.1	-84.3	0	0	0	110	G24 F29	G24-F27 VanDerWaalsContact O-O 3.08Å; F27-F29 VanDerWaalsContact C-N 3.34Å; F27-F29 HydrophobicContact CB-CD2 3.39Å; F27-F29 HydrophobicContact CB-CE2 3.4Å; F27-F29 HydrophobicContact CD1-CE2 4.15Å; F27-F29 HydrophobicContact CG-CD2 4.36Å; F27-F29 AromaticContact CG-CE2 3.89Å; F27-F29 HydrophobicContact CG-CE2 3.89Å; F27-F29 PolarHBondContact O-N 2.63Å
28	S	35.3	Very low	47.7	Very low	123 Å²	123	108.2 Å²	108.2	86%	0.86	56%	0.56	S	S	*	*			trans	-54.9	96.5	164.1	159.2	0	0	0	0	109.2
29	F	41.6	Very low	48.7	Very low	136 Å²	136	108 Å²	108	60%	0.596	56%	0.564	S	S	*	*			trans	-117.3	91.8	173.5	-86.2	-66.1	0	0	0	109.2	F27 D31	F27-F29 VanDerWaalsContact C-N 3.34Å; F27-F29 HydrophobicContact CB-CD2 3.39Å; F27-F29 HydrophobicContact CB-CE2 3.4Å; F27-F29 HydrophobicContact CD1-CE2 4.15Å; F27-F29 HydrophobicContact CG-CD2 4.36Å; F27-F29 AromaticContact CG-CE2 3.89Å; F27-F29 HydrophobicContact CG-CE2 3.89Å; F27-F29 PolarHBondContact O-N 2.63Å; F29-D31 HydrophobicContact CB-CB 3.88Å; F29-D31 HydrophobicContact CD1-CB 3.89Å; F29-D31 WeakPolarHBondContact CD1-OD2 3.32Å; F29-D31 HydrophobicContact CG-CB 4.3Å; F29-D31 PolarHBondContact O-N 2.71Å
30	D	46	Very low	50	Low	165 Å²	165	105.9 Å²	105.9	88%	0.882	56%	0.559	S	S	*	*			trans	-63.1	84.7	149	-94.5	-31.6	0	0	0	106.9
31	D	52.8	Low	51.1	Low	67 Å²	67	104.4 Å²	104.4	36%	0.358	56%	0.559	S	S	.	*			trans	-147.7	109.2	-168.9	-130.5	-28.5	0	0	0	115.9	F29 L33 F34	F29-D31 HydrophobicContact CB-CB 3.88Å; F29-D31 HydrophobicContact CD1-CB 3.89Å; F29-D31 WeakPolarHBondContact CD1-OD2 3.32Å; F29-D31 HydrophobicContact CG-CB 4.3Å; F29-D31 PolarHBondContact O-N 2.71Å; D31-L33 HydrophobicContact CB-CB 4.29Å; D31-L33 PolarHBondContact O-N 3.37Å; D31-F34 PolarHBondContact O-N 2.77Å
32	A	54.4	Low	52.5	Low	76 Å²	76	103.5 Å²	103.5	63%	0.628	56%	0.558	S	S	*	*	H	α-helix	trans	-46.7	-26.7	166.5	0	0	0	0	0	112.1	F34 K35 L36	A32-F34 VanDerWaalsContact C-N 3.34Å; A32-F34 PolarHBondContact O-N 3.31Å; A32-K35 PolarHBondContact O-N 3.46Å; A32-L36 VanDerWaalsContact O-CB 3.32Å; A32-L36 WeakPolarHBondContact O-CB 3.26Å; A32-L36 PolarHBondContact O-N 2.78Å
33	L	49.6	Very low	54.2	Low	97 Å²	97	105.6 Å²	105.6	51%	0.508	56%	0.563	S	S	.	*	H	α-helix	trans	-57.4	-40.7	174.3	-168	70.4	0	0	0	113.3	D31 L36 L37	D31-L33 HydrophobicContact CB-CB 4.29Å; D31-L33 PolarHBondContact O-N 3.37Å; L33-L36 PolarHBondContact O-N 2.89Å; L33-L37 HydrophobicContact CG-CD1 4.26Å; L33-L37 WeakPolarHBondContact O-CB 3.47Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.43Å
34	F	52.7	Low	55.6	Low	87 Å²	87	103.7 Å²	103.7	38%	0.382	55%	0.546	S	S	.	.	H	α-helix	trans	-67.9	-43.7	178.8	-175.7	-89.6	0	0	0	111.9	I20 V21 D31 A32 L36 L37 T38	I20-F34 HydrophobicContact CG2-CD2 4.29Å; I20-F34 HydrophobicContact CG2-CE2 3.2Å; I20-F34 HydrophobicContact CG2-CZ 3.57Å; V21-F34 HydrophobicContact CG2-CZ 4.19Å; D31-F34 PolarHBondContact O-N 2.77Å; A32-F34 VanDerWaalsContact C-N 3.34Å; A32-F34 PolarHBondContact O-N 3.31Å; F34-L36 VanDerWaalsContact C-N 3.3Å; F34-L36 PolarHBondContact O-N 2.98Å; F34-L37 PolarHBondContact O-N 3.04Å; F34-T38 HydrophobicContact CD1-CG2 4.31Å; F34-T38 HydrophobicContact CE1-CG2 3.94Å; F34-T38 HydrophobicContact CZ-CG2 4.34Å; F34-T38 PolarHBondContact O-N 2.78Å; F34-T38 PolarHBondContact O-OG1 2.87Å
35	K	55.5	Low	57.3	Low	152 Å²	152	103.8 Å²	103.8	66%	0.661	54%	0.538	S	S	*	.	H	α-helix	trans	-62.8	-39.3	174.1	-69.8	179.8	-178.3	172.7	0	110.9	A32 T38 L39	A32-K35 PolarHBondContact O-N 3.46Å; K35-T38 WeakPolarHBondContact CA-OG1 3.34Å; K35-T38 PolarHBondContact O-OG1 2.86Å; K35-L39 VanDerWaalsContact O-CB 3.28Å; K35-L39 WeakPolarHBondContact O-CB 3.43Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.39Å; K35-L39 PolarHBondContact O-N 3.47Å
36	L	63.6	Low	59	Low	115 Å²	115	98.7 Å²	98.7	60%	0.602	52%	0.52	S	S	*	.	H	α-helix	trans	-65.4	-44.5	176.4	-159.8	89.4	0	0	0	111.6	A32 L33 F34 L39 F40	A32-L36 VanDerWaalsContact O-CB 3.32Å; A32-L36 WeakPolarHBondContact O-CB 3.26Å; A32-L36 PolarHBondContact O-N 2.78Å; L33-L36 PolarHBondContact O-N 2.89Å; F34-L36 VanDerWaalsContact C-N 3.3Å; F34-L36 PolarHBondContact O-N 2.98Å; L36-L39 PolarHBondContact O-N 3.16Å; L36-F40 VanDerWaalsContact O-CB 3.22Å; L36-F40 WeakPolarHBondContact O-CB 3.19Å; L36-F40 PolarHBondContact O-N 3.41Å
37	L	64	Low	60.7	Low	107 Å²	107	99.2 Å²	99.2	56%	0.56	51%	0.512	S	S	*	.	H	α-helix	trans	-65.8	-40.1	178.5	-75.6	169.8	0	0	0	112.1	L33 F34 F40 A41	L33-L37 HydrophobicContact CG-CD1 4.26Å; L33-L37 WeakPolarHBondContact O-CB 3.47Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.43Å; F34-L37 PolarHBondContact O-N 3.04Å; L37-F40 PolarHBondContact O-N 2.85Å; L37-A41 WeakPolarHBondContact O-CB 3.3Å; L37-A41 PolarHBondContact O-N 3.12Å
38	T	63.4	Low	62.3	Low	49 Å²	49	92.9 Å²	92.9	30%	0.301	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-43.1	175.3	43.9	0	0	0	0	112	F34 K35 F40 A41 A42	F34-T38 HydrophobicContact CD1-CG2 4.31Å; F34-T38 HydrophobicContact CE1-CG2 3.94Å; F34-T38 HydrophobicContact CZ-CG2 4.34Å; F34-T38 PolarHBondContact O-N 2.78Å; F34-T38 PolarHBondContact O-OG1 2.87Å; K35-T38 WeakPolarHBondContact CA-OG1 3.34Å; K35-T38 PolarHBondContact O-OG1 2.86Å; T38-F40 VanDerWaalsContact C-N 3.34Å; T38-F40 PolarHBondContact O-N 3.46Å; T38-A41 PolarHBondContact O-N 3.38Å; T38-A42 WeakPolarHBondContact O-CB 3.28Å; T38-A42 PolarHBondContact O-N 3.44Å
39	L	67.5	Low	63.9	Low	122 Å²	122	91.3 Å²	91.3	64%	0.639	47%	0.465	S	S	*	.	H	α-helix	trans	-61.3	-41.2	171.7	-79.5	167	0	0	0	111.9	K35 L36 A42 F43	K35-L39 VanDerWaalsContact O-CB 3.28Å; K35-L39 WeakPolarHBondContact O-CB 3.43Å; K35-L39 VanDerWaalsContact O-CG 3.3Å; K35-L39 WeakPolarHBondContact O-CG 3.39Å; K35-L39 PolarHBondContact O-N 3.47Å; L36-L39 PolarHBondContact O-N 3.16Å; L39-A42 PolarHBondContact O-N 3.44Å; L39-F43 WeakPolarHBondContact O-CB 3.32Å; L39-F43 PolarHBondContact O-N 2.8Å
40	F	72.2	Confident	65.3	Low	111 Å²	111	92.6 Å²	92.6	49%	0.487	47%	0.466	S	S	.	.	H	α-helix	trans	-64.8	-43.1	176.5	-176.7	-98.5	0	0	0	111.5	L36 L37 T38 F43 T44 I422	L36-F40 VanDerWaalsContact O-CB 3.22Å; L36-F40 WeakPolarHBondContact O-CB 3.19Å; L36-F40 PolarHBondContact O-N 3.41Å; L37-F40 PolarHBondContact O-N 2.85Å; T38-F40 VanDerWaalsContact C-N 3.34Å; T38-F40 PolarHBondContact O-N 3.46Å; F40-F43 PolarHBondContact O-N 3.49Å; F40-T44 VanDerWaalsContact O-CB 3.32Å; F40-T44 WeakPolarHBondContact O-CB 3.32Å; F40-T44 PolarHBondContact O-N 2.91Å; F40-T44 PolarHBondContact O-OG1 2.8Å; F40-I422 HydrophobicContact CZ-CD1 4.17Å
41	A	70.9	Confident	66.2	Low	48 Å²	48	85.3 Å²	85.3	40%	0.397	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-48.5	174.2	0	0	0	0	0	111.1	L37 T38 F43 T44 V45	L37-A41 WeakPolarHBondContact O-CB 3.3Å; L37-A41 PolarHBondContact O-N 3.12Å; T38-A41 PolarHBondContact O-N 3.38Å; A41-F43 PolarHBondContact O-N 2.78Å; A41-T44 PolarHBondContact O-N 3.46Å; A41-T44 VanDerWaalsContact O-N 3.16Å; A41-V45 WeakPolarHBondContact O-CG2 3.44Å; A41-V45 PolarHBondContact O-N 3.33Å
42	A	71.8	Confident	66.5	Low	50 Å²	50	86.6 Å²	86.6	41%	0.413	43%	0.428	S	S	.	.	H	α-helix	trans	-60.9	-43.4	177.1	0	0	0	0	0	112	T38 L39 T44 V45 Y46	T38-A42 WeakPolarHBondContact O-CB 3.28Å; T38-A42 PolarHBondContact O-N 3.44Å; L39-A42 PolarHBondContact O-N 3.44Å; A42-T44 VanDerWaalsContact C-N 3.33Å; A42-T44 PolarHBondContact O-N 2.98Å; A42-V45 PolarHBondContact O-N 2.96Å; A42-Y46 VanDerWaalsContact O-CB 3.26Å; A42-Y46 WeakPolarHBondContact O-CB 3.31Å; A42-Y46 PolarHBondContact O-N 3.34Å
43	F	77.4	Confident	66.6	Low	102 Å²	102	89.2 Å²	89.2	45%	0.447	43%	0.431	S	S	.	.	H	α-helix	trans	-63.1	-39	174.6	177.3	-105.1	0	0	0	112	L39 F40 A41 Y46 R47	L39-F43 WeakPolarHBondContact O-CB 3.32Å; L39-F43 PolarHBondContact O-N 2.8Å; F40-F43 PolarHBondContact O-N 3.49Å; A41-F43 PolarHBondContact O-N 2.78Å; F43-Y46 PolarHBondContact O-N 3.36Å; F43-R47 HydrophobicContact CE1-CG 4.07Å; F43-R47 HydrophobicContact CE2-CG 4.13Å; F43-R47 HydrophobicContact CZ-CG 3.87Å; F43-R47 WeakPolarHBondContact O-CB 3.49Å; F43-R47 PolarHBondContact O-N 3.48Å
44	T	73.5	Confident	67.1	Low	15 Å²	15	93.3 Å²	93.3	9%	0.092	44%	0.44	C	S	.	.	H	α-helix	trans	-68.5	-41.8	178.1	-54.7	0	0	0	0	111.2	F40 A41 A42 T48 W407 I422	F40-T44 VanDerWaalsContact O-CB 3.32Å; F40-T44 WeakPolarHBondContact O-CB 3.32Å; F40-T44 PolarHBondContact O-N 2.91Å; F40-T44 PolarHBondContact O-OG1 2.8Å; A41-T44 PolarHBondContact O-N 3.46Å; A41-T44 VanDerWaalsContact O-N 3.16Å; A42-T44 VanDerWaalsContact C-N 3.33Å; A42-T44 PolarHBondContact O-N 2.98Å; T44-T48 VanDerWaalsContact O-CB 3.24Å; T44-T48 WeakPolarHBondContact O-CB 3.16Å; T44-T48 PolarHBondContact O-N 2.85Å; T44-T48 PolarHBondContact O-OG1 3.46Å; T44-W407 HydrophobicContact CG2-CH2 4.16Å; T44-W407 HydrophobicContact CG2-CZ2 3.87Å; T44-I422 HydrophobicContact CG2-CD1 3.74Å; T44-I422 HydrophobicContact CG2-CG1 4.49Å
45	V	73.3	Confident	66.9	Low	39 Å²	39	100.2 Å²	100.2	24%	0.236	46%	0.464	C	S	.	.	H	α-helix	trans	-61.1	-51.4	171.2	172.9	0	0	0	0	109.8	A41 A42 R47 T48 I49 W407	A41-V45 WeakPolarHBondContact O-CG2 3.44Å; A41-V45 PolarHBondContact O-N 3.33Å; A42-V45 PolarHBondContact O-N 2.96Å; V45-R47 PolarHBondContact O-N 2.99Å; V45-T48 CarbonylContact O-C 3.32Å; V45-T48 WeakPolarHBondContact O-CA 3.43Å; V45-T48 WeakPolarHBondContact O-CB 3.45Å; V45-T48 PolarHBondContact O-N 2.99Å; V45-I49 HydrophobicContact CG1-CD1 3.65Å; V45-I49 HydrophobicContact CG1-CG1 4.27Å; V45-I49 WeakPolarHBondContact O-CG1 3.06Å; V45-I49 PolarHBondContact O-N 3.36Å; V45-W407 HydrophobicContact CB-CH2 4.41Å; V45-W407 HydrophobicContact CG2-CH2 3.6Å; V45-W407 HydrophobicContact CG2-CZ3 3.95Å
46	Y	76.8	Confident	66.6	Low	126 Å²	126	96.9 Å²	96.9	49%	0.494	46%	0.46	S	S	.	.	H	α-helix	trans	-58.1	-49	179.1	175.3	-99.1	0	0	0	112.1	A42 F43 T48 I49 R50	A42-Y46 VanDerWaalsContact O-CB 3.26Å; A42-Y46 WeakPolarHBondContact O-CB 3.31Å; A42-Y46 PolarHBondContact O-N 3.34Å; F43-Y46 PolarHBondContact O-N 3.36Å; Y46-T48 PolarHBondContact O-N 3.39Å; Y46-I49 PolarHBondContact O-N 2.74Å; Y46-R50 WeakPolarHBondContact O-CB 3.39Å; Y46-R50 PolarHBondContact O-N 2.91Å; Y46-R50 PolarHBondContact OH-NH1 2.77Å
47	R	74.3	Confident	66	Low	160 Å²	160	93.4 Å²	93.4	60%	0.604	44%	0.44	S	S	*	.	H	α-helix	trans	-59.3	-36.9	174.5	-88.3	-164.2	105.8	149.3	5.1	111.8	F43 V45 S51	F43-R47 HydrophobicContact CE1-CG 4.07Å; F43-R47 HydrophobicContact CE2-CG 4.13Å; F43-R47 HydrophobicContact CZ-CG 3.87Å; F43-R47 WeakPolarHBondContact O-CB 3.49Å; F43-R47 PolarHBondContact O-N 3.48Å; V45-R47 PolarHBondContact O-N 2.99Å; R47-S51 VanDerWaalsContact O-CB 3.26Å; R47-S51 WeakPolarHBondContact O-CB 3.3Å; R47-S51 PolarHBondContact O-N 3.32Å
48	T	70.8	Confident	65.4	Low	3 Å²	3	94.5 Å²	94.5	2%	0.018	44%	0.436	C	S	.	.	H	α-helix	trans	-70.1	-47.9	-179.7	-61	0	0	0	0	110.8	T44 V45 Y46 R50 S51 R52 W407 E411 I416 R418	T44-T48 VanDerWaalsContact O-CB 3.24Å; T44-T48 WeakPolarHBondContact O-CB 3.16Å; T44-T48 PolarHBondContact O-N 2.85Å; T44-T48 PolarHBondContact O-OG1 3.46Å; V45-T48 CarbonylContact O-C 3.32Å; V45-T48 WeakPolarHBondContact O-CA 3.43Å; V45-T48 WeakPolarHBondContact O-CB 3.45Å; V45-T48 PolarHBondContact O-N 2.99Å; Y46-T48 PolarHBondContact O-N 3.39Å; T48-R50 PolarHBondContact O-N 3.5Å; T48-S51 WeakPolarHBondContact O-CB 3.18Å; T48-S51 PolarHBondContact O-N 3.46Å; T48-S51 VanDerWaalsContact O-N 3.15Å; T48-S51 PolarHBondContact O-OG 2.8Å; T48-R52 PolarHBondContact O-N 3Å; T48-W407 HydrophobicContact CG2-CZ2 4.3Å; T48-E411 HydrophobicContact CG2-CG 3.95Å; T48-I416 HydrophobicContact CG2-CD1 3.76Å; T48-I416 WeakPolarHBondContact O-CD1 3.38Å; T48-R418 PolarHBondContact OG1-NH2 2.85Å
49	I	70.7	Confident	64.8	Low	90 Å²	90	99.6 Å²	99.6	46%	0.462	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-46.6	173.9	-64.3	172.9	0	0	0	110.5	V45 Y46 S51 R52	V45-I49 HydrophobicContact CG1-CD1 3.65Å; V45-I49 HydrophobicContact CG1-CG1 4.27Å; V45-I49 WeakPolarHBondContact O-CG1 3.06Å; V45-I49 PolarHBondContact O-N 3.36Å; Y46-I49 PolarHBondContact O-N 2.74Å; I49-S51 PolarHBondContact O-N 2.82Å; I49-R52 WeakPolarHBondContact O-CB 3.46Å; I49-R52 PolarHBondContact O-N 2.94Å
50	R	70	Confident	64.3	Low	163 Å²	163	96.4 Å²	96.4	62%	0.615	44%	0.435	S	S	*	.	H	α-helix	trans	-62.1	-31.6	176.9	-171.5	172.8	176.3	145.2	-0.9	112.2	Y46 T48 R52 N53	Y46-R50 WeakPolarHBondContact O-CB 3.39Å; Y46-R50 PolarHBondContact O-N 2.91Å; Y46-R50 PolarHBondContact OH-NH1 2.77Å; T48-R50 PolarHBondContact O-N 3.5Å; R50-R52 PolarHBondContact O-N 3.5Å; R50-N53 PolarHBondContact O-N 3.35Å
51	S	65.1	Low	63.7	Low	13 Å²	13	95 Å²	95	9%	0.091	43%	0.43	C	S	.	.	H	α-helix	trans	-67.9	-21.3	174.9	79.2	0	0	0	0	113.5	R47 T48 I49 N53 R54 R418	R47-S51 VanDerWaalsContact O-CB 3.26Å; R47-S51 WeakPolarHBondContact O-CB 3.3Å; R47-S51 PolarHBondContact O-N 3.32Å; T48-S51 WeakPolarHBondContact O-CB 3.18Å; T48-S51 PolarHBondContact O-N 3.46Å; T48-S51 VanDerWaalsContact O-N 3.15Å; T48-S51 PolarHBondContact O-OG 2.8Å; I49-S51 PolarHBondContact O-N 2.82Å; S51-N53 PolarHBondContact O-N 3.4Å; S51-R54 PolarHBondContact O-N 3.02Å; S51-R54 VanDerWaalsContact O-N 3.17Å; S51-R418 PolarHBondContact OG-NH1 2.73Å
52	R	59.8	Low	63.4	Low	93 Å²	93	93.4 Å²	93.4	35%	0.351	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.9	174.6	-163.3	179.8	178.6	-176.4	-2.4	112.9	T48 I49 R50 L414 I416	T48-R52 PolarHBondContact O-N 3Å; I49-R52 WeakPolarHBondContact O-CB 3.46Å; I49-R52 PolarHBondContact O-N 2.94Å; R50-R52 PolarHBondContact O-N 3.5Å; R52-L414 PolarHBondContact NE-O 3.09Å; R52-I416 HydrophobicContact CB-CD1 4.18Å; R52-I416 HydrophobicContact CB-CG1 4.34Å; R52-I416 HydrophobicContact CG-CD1 4.5Å; R52-I416 HydrophobicContact CG-CG1 4.27Å
53	N	56	Low	63.1	Low	131 Å²	131	98.9 Å²	98.9	70%	0.701	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-9.2	-179.5	-69.7	-8.4	0	0	0	113.5	R50 S51 R55	R50-N53 PolarHBondContact O-N 3.35Å; S51-N53 PolarHBondContact O-N 3.4Å; N53-R55 PolarHBondContact O-N 2.96Å
54	R	59.2	Low	62.9	Low	184 Å²	184	95.7 Å²	95.7	69%	0.694	41%	0.414	S	S	*	.			trans	-84.3	109.2	173.2	-73.3	-173.1	175.6	-176.5	-2.1	109.6	S51 S56 K57	S51-R54 PolarHBondContact O-N 3.02Å; S51-R54 VanDerWaalsContact O-N 3.17Å; R54-S56 PolarHBondContact O-N 2.97Å; R54-K57 PolarHBondContact O-N 3.49Å
55	R	49.1	Very low	63	Low	232 Å²	232	98 Å²	98	88%	0.875	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-45.7	-32.4	179.6	-87.1	-177.3	173.5	176.9	-2.3	114.1	N53 K57 R58	N53-R55 PolarHBondContact O-N 2.96Å; R55-K57 PolarHBondContact O-N 2.97Å; R55-R58 PolarHBondContact O-N 3.23Å
56	S	49.9	Very low	63.2	Low	82 Å²	82	98.5 Å²	98.5	57%	0.573	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-65.7	-18.3	-178.1	76.5	0	0	0	0	115.1	R54	R54-S56 PolarHBondContact O-N 2.97Å
57	K	50.8	Low	63.5	Low	42 Å²	42	96.6 Å²	96.6	18%	0.183	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-96.9	-3.5	-178.4	-62	-160.4	176.3	-153.1	0	114.8	R54 R55 R418 D420	R54-K57 PolarHBondContact O-N 3.49Å; R55-K57 PolarHBondContact O-N 2.97Å; K57-R418 HydrophobicContact CD-CB 4.5Å; K57-D420 IonicContact NZ-OD1 2.81Å; K57-D420 PolarHBondContact NZ-OD1 3.24Å; K57-D420 IonicContact NZ-OD2 2.73Å; K57-D420 PolarHBondContact NZ-OD2 2.83Å
58	R	50.6	Low	64.2	Low	130 Å²	130	91.7 Å²	91.7	49%	0.491	43%	0.43	S	S	.	.			trans	-87.3	-1.6	173.4	-69.3	-170.7	-175.9	-173.3	-1.3	113.8	R55 K60 Q61	R55-R58 PolarHBondContact O-N 3.23Å; R58-K60 PolarHBondContact O-N 3Å; R58-Q61 PolarHBondContact O-N 2.98Å
59	K	52	Low	65.1	Low	155 Å²	155	91.6 Å²	91.6	67%	0.674	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-5.4	-166.6	-76	-169.1	173.4	-168.8	0	116.6	N317	K59-N317 WeakPolarHBondContact O-CB 3.07Å
60	K	56.4	Low	66.2	Low	55 Å²	55	87.5 Å²	87.5	24%	0.239	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	16.1	178.5	-74.1	-166.9	173	-164	0	113.9	R58 W417 V483	R58-K60 PolarHBondContact O-N 3Å; K60-W417 HydrophobicContact CB-CB 3.83Å; K60-W417 HydrophobicContact CB-CG 4.12Å; K60-W417 HydrophobicContact CD-CB 4.43Å; K60-V483 WeakPolarHBondContact O-CG2 3.32Å
61	Q	60.3	Low	67.3	Low	83 Å²	83	83.5 Å²	83.5	39%	0.388	40%	0.399	S	S	.	.	S	Bend	trans	-83	138	174.3	-144.8	165.5	5.1	0	0	108.9	R58 N317 D484	R58-Q61 PolarHBondContact O-N 2.98Å; Q61-N317 PolarHBondContact O-ND2 3.34Å; Q61-D484 HydrophobicContact CG-CB 4.46Å; Q61-D484 WeakPolarHBondContact CG-OD2 3.35Å
62	S	62.8	Low	68.8	Low	13 Å²	13	86.7 Å²	86.7	9%	0.091	42%	0.415	C	S	.	.			trans	-63.6	144.5	172.7	-177	0	0	0	0	108.8	L64 D484	S62-L64 PolarHBondContact O-N 3.21Å; S62-L64 WeakPolarHBondContact OG-CB 3.36Å; S62-L64 PolarHBondContact OG-N 2.94Å; S62-L64 VanDerWaalsContact OG-N 3.09Å; S62-D484 VanDerWaalsContact CB-OD1 3.28Å; S62-D484 WeakPolarHBondContact CB-OD1 3.37Å; S62-D484 PolarHBondContact N-OD2 3.36Å
63	Y	65.3	Low	70.4	Confident	165 Å²	165	85.8 Å²	85.8	65%	0.647	41%	0.414	S	S	*	.	S	Bend	trans	-70.8	-11.5	168	-63.7	-70.7	0	0	0	111.9	E315 N317	Y63-E315 WeakPolarHBondContact CD2-O 3.44Å; Y63-N317 WeakPolarHBondContact CE2-ND2 3.25Å; Y63-N317 WeakPolarHBondContact CE2-OD1 3.41Å; Y63-N317 VanDerWaalsContact CZ-ND2 3.28Å; Y63-N317 PolarHBondContact OH-ND2 3.43Å; Y63-N317 PolarHBondContact OH-OD1 2.89Å
64	L	75.1	Confident	72.2	Confident	35 Å²	35	85.6 Å²	85.6	18%	0.183	42%	0.42	C	S	.	.	S	Bend	trans	-98.5	143.5	-177.4	-55.6	170.6	0	0	0	110.6	S62 V83 F84 F482	S62-L64 PolarHBondContact O-N 3.21Å; S62-L64 WeakPolarHBondContact OG-CB 3.36Å; S62-L64 PolarHBondContact OG-N 2.94Å; S62-L64 VanDerWaalsContact OG-N 3.09Å; L64-V83 HydrophobicContact CD1-CG2 3.95Å; L64-F84 HydrophobicContact CD1-CD1 3.36Å; L64-F84 HydrophobicContact CD1-CE1 3.4Å; L64-F84 VanDerWaalsContact CD1-CE1 3.4Å; L64-F84 HydrophobicContact CD1-CG 4.02Å; L64-F84 HydrophobicContact CD1-CZ 4.08Å; L64-F482 HydrophobicContact CB-CE1 4.42Å; L64-F482 HydrophobicContact CB-CE2 4.17Å; L64-F482 HydrophobicContact CB-CZ 3.95Å; L64-F482 HydrophobicContact CD1-CE1 4Å; L64-F482 HydrophobicContact CD1-CZ 4.14Å
65	S	75	Confident	73.7	Confident	64 Å²	64	79.2 Å²	79.2	45%	0.448	41%	0.412	S	S	.	.			trans	-80.1	129.8	179.4	-176.5	0	0	0	0	110.9	S67 C68	S65-S67 PolarHBondContact O-N 2.86Å; S65-S67 PolarHBondContact OG-N 3.35Å; S65-S67 PolarHBondContact OG-OG 3.12Å; S65-C68 CarbonylContact O-C 3.58Å; S65-C68 PolarHBondContact O-N 3.11Å
66	P	77.1	Confident	75.7	Confident	50 Å²	50	74.5 Å²	74.5	33%	0.325	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.8	170.6	-24.1	34	0	0	0	114.4	C68 Q69 N558	P66-C68 VanDerWaalsContact C-N 3.28Å; P66-Q69 PolarHBondContact O-NE2 3.12Å; P66-N558 PolarHBondContact O-ND2 2.93Å
67	S	83	Confident	77.7	Confident	86 Å²	86	74.9 Å²	74.9	60%	0.601	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-12.6	175.1	69.6	0	0	0	0	114	S65 N558	S65-S67 PolarHBondContact O-N 2.86Å; S65-S67 PolarHBondContact OG-N 3.35Å; S65-S67 PolarHBondContact OG-OG 3.12Å; S67-N558 WeakPolarHBondContact O-CA 3.44Å
68	C	88.5	Confident	79.7	Confident	57 Å²	57	77 Å²	77	39%	0.385	41%	0.411	S	S	.	.			trans	-142.5	104.4	176.4	-175.7	0	0	0	0	109.4	S65 P66 N558	S65-C68 CarbonylContact O-C 3.58Å; S65-C68 PolarHBondContact O-N 3.11Å; P66-C68 VanDerWaalsContact C-N 3.28Å; C68-N558 CarbonylContact C-O 3.54Å; C68-N558 VanDerWaalsContact CA-O 3.31Å; C68-N558 WeakPolarHBondContact CA-O 3.43Å
69	Q	91.4	Very high	81.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.392	C	S	.	.	S	Bend	trans	-108.6	-7.9	-177.2	-59.3	-156	19.8	0	0	113	P66 F482 D485 A493 N558 A560	P66-Q69 PolarHBondContact O-NE2 3.12Å; Q69-F482 HydrophobicContact CB-CZ 4.46Å; Q69-F482 HydrophobicContact CG-CD2 4.43Å; Q69-F482 HydrophobicContact CG-CE2 3.75Å; Q69-F482 HydrophobicContact CG-CZ 4.17Å; Q69-D485 PolarHBondContact NE2-OD2 3.26Å; Q69-A493 HydrophobicContact CB-CB 3.91Å; Q69-A493 WeakPolarHBondContact O-CA 3.38Å; Q69-A493 WeakPolarHBondContact O-CB 3.15Å; Q69-N558 PolarHBondContact N-O 3.38Å; Q69-N558 PolarHBondContact NE2-ND2 3.45Å; Q69-A560 HydrophobicContact CB-CB 4.13Å; Q69-A560 HydrophobicContact CG-CB 4.24Å
70	S	93.5	Very high	84.1	Confident	5 Å²	5	65.8 Å²	65.8	4%	0.035	37%	0.366	C	S	.	.	S	Bend	trans	-153.3	154.3	169.3	60.5	0	0	0	0	110.5	R80 T81 G559	S70-R80 WeakPolarHBondContact OG-CD 3.22Å; S70-R80 PolarHBondContact OG-NH1 2.96Å; S70-T81 WeakPolarHBondContact CA-O 3.28Å; S70-G559 WeakPolarHBondContact CB-O 3.24Å; S70-G559 WeakPolarHBondContact OG-CA 3.26Å; S70-G559 PolarHBondContact OG-O 2.88Å
71	I	93.6	Very high	85.9	Confident	78 Å²	78	64.4 Å²	64.4	40%	0.4	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.9	179.7	-54.6	178.2	0	0	0	107.7	Q73 R80 T81 S82 V83	I71-Q73 PolarHBondContact O-N 3.43Å; I71-R80 CarbonylContact O-C 3.59Å; I71-R80 WeakPolarHBondContact O-CA 3.32Å; I71-T81 PolarHBondContact N-O 3.33Å; I71-T81 PolarHBondContact O-N 2.69Å; I71-S82 WeakPolarHBondContact CD1-O 3.18Å; I71-V83 HydrophobicContact CD1-CG1 4.33Å; I71-V83 HydrophobicContact CG1-CG1 3.72Å
72	L	94.7	Very high	87.4	Confident	81 Å²	81	61 Å²	61	42%	0.424	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	120.9	171.5	-178.4	65.8	0	0	0	109	R78 R80	L72-R78 HydrophobicContact CD1-CB 4.06Å; L72-R80 HydrophobicContact CB-CG 4.31Å; L72-R80 HydrophobicContact CD1-CG 3.94Å
73	Q	94.9	Very high	88.7	Confident	73 Å²	73	61.3 Å²	61.3	34%	0.341	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-79	147.5	175.7	-62.7	-59.8	-32.5	0	0	110.4	I71 G75 I79 T81	I71-Q73 PolarHBondContact O-N 3.43Å; Q73-G75 PolarHBondContact O-N 3.19Å; Q73-I79 HydrophobicContact CB-CB 4.42Å; Q73-I79 WeakPolarHBondContact CB-O 3.3Å; Q73-I79 HydrophobicContact CG-CG2 4.43Å; Q73-I79 PolarHBondContact N-O 2.79Å; Q73-T81 HydrophobicContact CG-CG2 3.74Å; Q73-T81 PolarHBondContact NE2-OG1 3.37Å
74	P	92.9	Very high	89.7	Confident	127 Å²	127	53.7 Å²	53.7	83%	0.825	32%	0.319	S	S	*	.	S	Bend	trans	-60.6	134.6	171.8	-18.9	31.3	0	0	0	110.8
75	G	91.3	Very high	89.9	Confident	51 Å²	51	60.6 Å²	60.6	53%	0.526	35%	0.348	S	S	.	.	S	Bend	trans	141.7	163.3	174	0	0	0	0	0	113.5	Q73 E77 R78	Q73-G75 PolarHBondContact O-N 3.19Å; G75-E77 VanDerWaalsContact C-N 3.28Å; G75-E77 PolarHBondContact O-N 2.95Å; G75-R78 PolarHBondContact O-N 3.45Å
76	P	91.1	Very high	90.1	Very high	133 Å²	133	61.2 Å²	61.2	86%	0.864	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-25.8	-176.7	28.6	-34.9	0	0	0	112.9	R78	P76-R78 PolarHBondContact O-N 3.45Å
77	E	90.8	Very high	90.4	Very high	89 Å²	89	61.7 Å²	61.7	42%	0.416	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-8.5	-177	-63.5	-163.9	104.7	0	0	114.2	G75 I79 K501	G75-E77 VanDerWaalsContact C-N 3.28Å; G75-E77 PolarHBondContact O-N 2.95Å; E77-I79 HydrophobicContact CB-CD1 4.21Å; E77-I79 HydrophobicContact CB-CG1 3.92Å; E77-I79 PolarHBondContact O-N 2.93Å; E77-I79 WeakPolarHBondContact OE2-CD1 3.24Å; E77-K501 IonicContact OE1-NZ 3.48Å; E77-K501 PolarHBondContact OE1-NZ 3.07Å
78	R	94.2	Very high	90.6	Very high	87 Å²	87	59.7 Å²	59.7	33%	0.328	33%	0.331	S	S	.	.			trans	53.4	36.3	-179.8	-56.2	172.2	64	89.5	-2.3	113.4	L72 G75 P76 R80 A512 D515	L72-R78 HydrophobicContact CD1-CB 4.06Å; G75-R78 PolarHBondContact O-N 3.45Å; P76-R78 PolarHBondContact O-N 3.45Å; R78-R80 PolarHBondContact O-N 3.2Å; R78-A512 PolarHBondContact NE-O 2.97Å; R78-D515 IonicContact CZ-OD1 3.72Å; R78-D515 IonicContact NE-OD1 3.65Å; R78-D515 VanDerWaalsContact NH2-CG 3.32Å; R78-D515 IonicContact NH2-OD1 2.74Å; R78-D515 PolarHBondContact NH2-OD1 3.38Å; R78-D515 IonicContact NH2-OD2 3.36Å; R78-D515 PolarHBondContact NH2-OD2 2.73Å
79	I	96.6	Very high	90.5	Very high	20 Å²	20	59.2 Å²	59.2	10%	0.103	33%	0.327	C	S	.	.			trans	-60.2	136.1	177.6	-64.1	168.7	0	0	0	109.4	Q73 E77 E499 K501 W546	Q73-I79 HydrophobicContact CB-CB 4.42Å; Q73-I79 WeakPolarHBondContact CB-O 3.3Å; Q73-I79 HydrophobicContact CG-CG2 4.43Å; Q73-I79 PolarHBondContact N-O 2.79Å; E77-I79 HydrophobicContact CB-CD1 4.21Å; E77-I79 HydrophobicContact CB-CG1 3.92Å; E77-I79 PolarHBondContact O-N 2.93Å; E77-I79 WeakPolarHBondContact OE2-CD1 3.24Å; I79-E499 HydrophobicContact CG2-CB 3.88Å; I79-E499 HydrophobicContact CG2-CG 4.18Å; I79-K501 HydrophobicContact CG1-CB 4.3Å; I79-W546 HydrophobicContact CD1-CH2 4.12Å; I79-W546 HydrophobicContact CD1-CZ2 3.76Å; I79-W546 HydrophobicContact CG1-CH2 3.94Å; I79-W546 HydrophobicContact CG1-CZ2 3.98Å; I79-W546 HydrophobicContact CG2-CH2 4.24Å
80	R	96.8	Very high	90.6	Very high	29 Å²	29	60.8 Å²	60.8	11%	0.109	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.4	171.7	-76.8	167.2	178	-85.4	2.2	111	S70 I71 L72 R78 I494 V500 W555	S70-R80 WeakPolarHBondContact OG-CD 3.22Å; S70-R80 PolarHBondContact OG-NH1 2.96Å; I71-R80 CarbonylContact O-C 3.59Å; I71-R80 WeakPolarHBondContact O-CA 3.32Å; L72-R80 HydrophobicContact CB-CG 4.31Å; L72-R80 HydrophobicContact CD1-CG 3.94Å; R78-R80 PolarHBondContact O-N 3.2Å; R80-I494 HydrophobicContact CB-CD1 3.65Å; R80-I494 WeakPolarHBondContact O-CD1 3.36Å; R80-V500 PolarHBondContact N-O 2.81Å; R80-V500 PolarHBondContact O-N 2.94Å; R80-W555 HydrophobicContact CB-CH2 4.23Å; R80-W555 HydrophobicContact CB-CZ2 4.07Å; R80-W555 HydrophobicContact CG-CZ2 4.42Å
81	T	95	Very high	90.6	Very high	26 Å²	26	68.7 Å²	68.7	16%	0.16	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	171.6	176.8	62.8	0	0	0	0	111.4	S70 I71 Q73 E499	S70-T81 WeakPolarHBondContact CA-O 3.28Å; I71-T81 PolarHBondContact N-O 3.33Å; I71-T81 PolarHBondContact O-N 2.69Å; Q73-T81 HydrophobicContact CG-CG2 3.74Å; Q73-T81 PolarHBondContact NE2-OG1 3.37Å; T81-E499 HydrophobicContact CG2-CG 4.04Å
82	S	92.5	Very high	90.7	Very high	13 Å²	13	69.6 Å²	69.6	9%	0.091	38%	0.379	C	S	.	.			trans	-61.4	145	176.9	-163.7	0	0	0	0	113.9	I71 F84 I494 S495 A496	I71-S82 WeakPolarHBondContact CD1-O 3.18Å; S82-F84 WeakPolarHBondContact OG-CB 3.4Å; S82-F84 VanDerWaalsContact OG-CD2 3.31Å; S82-F84 WeakPolarHBondContact OG-CD2 3.39Å; S82-F84 PolarHBondContact OG-N 3.35Å; S82-I494 WeakPolarHBondContact CA-O 3.41Å; S82-I494 VanDerWaalsContact CB-O 3.25Å; S82-I494 WeakPolarHBondContact CB-O 3.2Å; S82-I494 PolarHBondContact OG-O 3.38Å; S82-S495 WeakPolarHBondContact CB-O 3.48Å; S82-A496 PolarHBondContact OG-N 3.49Å
83	V	90.5	Very high	90.8	Very high	18 Å²	18	65.8 Å²	65.8	11%	0.109	36%	0.359	C	S	.	.	S	Bend	trans	-83.7	-15.5	162.3	-70.4	0	0	0	0	112.6	L64 I71 K85 F482 A493	L64-V83 HydrophobicContact CD1-CG2 3.95Å; I71-V83 HydrophobicContact CD1-CG1 4.33Å; I71-V83 HydrophobicContact CG1-CG1 3.72Å; V83-K85 PolarHBondContact O-N 3.28Å; V83-F482 HydrophobicContact CG2-CE1 4.37Å; V83-F482 HydrophobicContact CG2-CZ 3.86Å; V83-A493 HydrophobicContact CG2-CB 4.23Å
84	F	84.9	Confident	90.9	Very high	6 Å²	6	64.9 Å²	64.9	3%	0.026	36%	0.358	C	S	.	.	S	Bend	trans	-73.4	115.8	172.6	-59	-81	0	0	0	108.3	L64 S82 W86 L311 V312 E315 Q316 F482 A493 I494 A496	L64-F84 HydrophobicContact CD1-CD1 3.36Å; L64-F84 HydrophobicContact CD1-CE1 3.4Å; L64-F84 VanDerWaalsContact CD1-CE1 3.4Å; L64-F84 HydrophobicContact CD1-CG 4.02Å; L64-F84 HydrophobicContact CD1-CZ 4.08Å; S82-F84 WeakPolarHBondContact OG-CB 3.4Å; S82-F84 VanDerWaalsContact OG-CD2 3.31Å; S82-F84 WeakPolarHBondContact OG-CD2 3.39Å; S82-F84 PolarHBondContact OG-N 3.35Å; F84-W86 PolarHBondContact O-N 2.66Å; F84-L311 HydrophobicContact CB-CD2 3.75Å; F84-V312 HydrophobicContact CD2-CG2 4.13Å; F84-V312 HydrophobicContact CE1-CG2 4.42Å; F84-V312 HydrophobicContact CE2-CG2 3.83Å; F84-V312 HydrophobicContact CZ-CB 4.46Å; F84-V312 HydrophobicContact CZ-CG1 4.46Å; F84-V312 HydrophobicContact CZ-CG2 3.97Å; F84-E315 HydrophobicContact CD1-CB 3.79Å; F84-E315 HydrophobicContact CD1-CG 4.1Å; F84-E315 HydrophobicContact CE1-CB 4.05Å; F84-Q316 HydrophobicContact CE1-CG 4.23Å; F84-F482 HydrophobicContact CE1-CD1 4.49Å; F84-F482 HydrophobicContact CE1-CE1 4.11Å; F84-F482 AromaticContact CE2-CE1 3.93Å; F84-F482 HydrophobicContact CE2-CE1 3.93Å; F84-F482 AromaticContact CZ-CD1 3.83Å; F84-F482 HydrophobicContact CZ-CD1 3.83Å; F84-F482 AromaticContact CZ-CE1 3.43Å; F84-F482 HydrophobicContact CZ-CE1 3.43Å; F84-F482 VanDerWaalsContact CZ-CE1 3.43Å; F84-A493 HydrophobicContact CE2-CB 3.94Å; F84-I494 WeakPolarHBondContact CD2-O 3.38Å; F84-A496 HydrophobicContact CB-CB 4.23Å
85	K	78.9	Confident	91.2	Very high	180 Å²	180	58.9 Å²	58.9	78%	0.783	32%	0.319	S	S	*	.			trans	-70.1	120.2	174.6	-71.2	-173.1	178.2	-176.6	0	108.6	V83 A87	V83-K85 PolarHBondContact O-N 3.28Å; K85-A87 PolarHBondContact O-N 2.87Å; K85-A87 VanDerWaalsContact O-N 3.14Å
86	W	79.1	Confident	91.5	Very high	76 Å²	76	57.1 Å²	57.1	29%	0.288	30%	0.298	S	S	.	.			trans	-61.3	119.8	177.1	177.8	-109.7	0	0	0	110.6	F84 D88 K307 L311 A496 E497	F84-W86 PolarHBondContact O-N 2.66Å; W86-D88 HydrophobicContact CZ2-CB 3.8Å; W86-K307 HydrophobicContact CH2-CB 3.56Å; W86-K307 HydrophobicContact CH2-CD 4.06Å; W86-K307 HydrophobicContact CH2-CG 4.46Å; W86-K307 HydrophobicContact CZ2-CD 4.42Å; W86-K307 HydrophobicContact CZ3-CB 4.07Å; W86-L311 HydrophobicContact CE3-CD2 4.23Å; W86-A496 HydrophobicContact CB-CB 4.43Å; W86-A496 HydrophobicContact CE3-CB 3.8Å; W86-E497 HydrophobicContact CB-CG 4.08Å; W86-E497 VanDerWaalsContact CD2-CD 3.44Å; W86-E497 HydrophobicContact CD2-CG 3.52Å; W86-E497 HydrophobicContact CE3-CG 3.68Å; W86-E497 HydrophobicContact CG-CG 3.7Å; W86-E497 WeakPolarHBondContact CH2-OE2 3.27Å; W86-E497 VanDerWaalsContact CZ2-OE2 3.27Å; W86-E497 WeakPolarHBondContact CZ2-OE2 3.35Å; W86-E497 HydrophobicContact CZ3-CG 4.22Å; W86-E497 PolarHBondContact NE1-OE1 3.29Å
87	A	83.9	Confident	91.8	Very high	60 Å²	60	51.7 Å²	51.7	50%	0.496	26%	0.261	S	S	.	.			trans	-129.4	103.3	165.7	0	0	0	0	0	106.4	K85 P89 L311	K85-A87 PolarHBondContact O-N 2.87Å; K85-A87 VanDerWaalsContact O-N 3.14Å; A87-P89 VanDerWaalsContact O-CD 3.27Å; A87-P89 WeakPolarHBondContact O-CD 3.45Å; A87-P89 VanDerWaalsContact O-N 3.07Å; A87-L311 HydrophobicContact CB-CD1 4.43Å
88	D	87.4	Confident	92.1	Very high	44 Å²	44	50.5 Å²	50.5	24%	0.235	26%	0.255	C	S	.	.			trans	-57.4	116.8	-177.8	-170.2	-24.6	0	0	0	109.6	W86 D90 K91 K307	W86-D88 HydrophobicContact CZ2-CB 3.8Å; D88-D90 PolarHBondContact O-N 3.42Å; D88-D90 PolarHBondContact OD1-N 2.94Å; D88-K91 HydrophobicContact CB-CG 3.82Å; D88-K307 VanDerWaalsContact CG-NZ 3.29Å; D88-K307 WeakPolarHBondContact OD1-CD 3.5Å; D88-K307 VanDerWaalsContact OD1-CE 3.25Å; D88-K307 WeakPolarHBondContact OD1-CE 3.2Å; D88-K307 IonicContact OD1-NZ 2.68Å; D88-K307 PolarHBondContact OD1-NZ 3.45Å; D88-K307 IonicContact OD2-NZ 3.62Å; D88-K307 PolarHBondContact OD2-NZ 2.86Å
89	P	87	Confident	92.3	Very high	47 Å²	47	46.3 Å²	46.3	31%	0.305	24%	0.239	S	C	.	.	S	Bend	trans	-66.9	-21.7	-176	26.5	-35.5	0	0	0	113.1	A87 K307 L310 F346	A87-P89 VanDerWaalsContact O-CD 3.27Å; A87-P89 WeakPolarHBondContact O-CD 3.45Å; A87-P89 VanDerWaalsContact O-N 3.07Å; P89-K307 HydrophobicContact CG-CB 4.22Å; P89-K307 HydrophobicContact CG-CD 4.28Å; P89-K307 HydrophobicContact CG-CG 3.89Å; P89-L310 HydrophobicContact CB-CD2 3.93Å; P89-L310 HydrophobicContact CG-CD2 3.89Å; P89-F346 HydrophobicContact CB-CE1 4.25Å; P89-F346 HydrophobicContact CB-CZ 4.31Å; P89-F346 HydrophobicContact CG-CE1 4.22Å; P89-F346 HydrophobicContact CG-CZ 4.03Å
90	D	93.1	Very high	92.4	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.182	24%	0.235	C	C	.	.			trans	-164.9	99.1	171.7	-164.4	-28.8	0	0	0	111	D88 T92 V93 R102 K307 F346	D88-D90 PolarHBondContact O-N 3.42Å; D88-D90 PolarHBondContact OD1-N 2.94Å; D90-T92 PolarHBondContact O-N 2.88Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 WeakPolarHBondContact OD1-CB 3.43Å; D90-T92 PolarHBondContact OD1-N 3.27Å; D90-T92 PolarHBondContact OD1-OG1 3.19Å; D90-V93 HydrophobicContact CB-CG2 4.34Å; D90-V93 PolarHBondContact O-N 3.2Å; D90-V93 VanDerWaalsContact O-N 3.14Å; D90-R102 WeakPolarHBondContact OD2-CD 3.31Å; D90-R102 IonicContact OD2-CZ 2.77Å; D90-R102 IonicContact OD2-NE 3.14Å; D90-R102 PolarHBondContact OD2-NE 2.81Å; D90-K307 WeakPolarHBondContact O-CE 3.39Å; D90-K307 PolarHBondContact O-NZ 3.36Å; D90-F346 HydrophobicContact CB-CE2 4.33Å; D90-F346 HydrophobicContact CB-CZ 3.75Å
91	K	93.5	Very high	92.4	Very high	171 Å²	171	46 Å²	46	74%	0.743	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.7	-179.1	-65	-177.3	-178.9	-178	0	113.8	D88 V93	D88-K91 HydrophobicContact CB-CG 3.82Å; K91-V93 VanDerWaalsContact C-N 3.27Å; K91-V93 PolarHBondContact O-N 3.35Å
92	T	95.5	Very high	92.4	Very high	97 Å²	97	46.6 Å²	46.6	60%	0.595	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-14.3	-179.4	70.6	0	0	0	0	112.8	D90	D90-T92 PolarHBondContact O-N 2.88Å; D90-T92 VanDerWaalsContact O-N 3.13Å; D90-T92 WeakPolarHBondContact OD1-CB 3.43Å; D90-T92 PolarHBondContact OD1-N 3.27Å; D90-T92 PolarHBondContact OD1-OG1 3.19Å
93	V	97.4	Very high	92.6	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.235	C	C	.	.			trans	-97.6	112.4	176.8	176.3	0	0	0	0	110	D90 K91 E98 A99 R102 I303 K307 F346	D90-V93 HydrophobicContact CB-CG2 4.34Å; D90-V93 PolarHBondContact O-N 3.2Å; D90-V93 VanDerWaalsContact O-N 3.14Å; K91-V93 VanDerWaalsContact C-N 3.27Å; K91-V93 PolarHBondContact O-N 3.35Å; V93-E98 HydrophobicContact CB-CB 4.42Å; V93-E98 HydrophobicContact CG1-CB 4.06Å; V93-E98 HydrophobicContact CG2-CB 4.31Å; V93-A99 HydrophobicContact CG1-CB 3.8Å; V93-R102 HydrophobicContact CG2-CB 3.92Å; V93-R102 HydrophobicContact CG2-CG 4.34Å; V93-I303 HydrophobicContact CG1-CD1 4.17Å; V93-I303 HydrophobicContact CG1-CG2 4.44Å; V93-K307 WeakPolarHBondContact O-CE 3.38Å; V93-K307 PolarHBondContact O-NZ 2.94Å; V93-F346 HydrophobicContact CB-CD2 4.49Å; V93-F346 HydrophobicContact CB-CE2 3.82Å; V93-F346 HydrophobicContact CG1-CD2 3.95Å; V93-F346 HydrophobicContact CG1-CE2 3.73Å; V93-F346 HydrophobicContact CG2-CE2 4.07Å
94	T	97	Very high	92.9	Very high	54 Å²	54	47 Å²	47	33%	0.331	24%	0.238	S	C	.	.			trans	-122	-16.1	-179.7	66.6	0	0	0	0	112.6	E98	T94-E98 WeakPolarHBondContact CA-OE2 3.25Å; T94-E98 PolarHBondContact N-OE2 2.99Å; T94-E98 PolarHBondContact OG1-OE2 3.44Å
95	T	98.1	Very high	93.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	26%	0.264	C	S	.	.	S	Bend	trans	-125.5	162.3	175.9	73.8	0	0	0	0	114.1	Y97 E98 A99 P274 P276 H299 I303	T95-Y97 VanDerWaalsContact C-N 3.26Å; T95-Y97 PolarHBondContact O-N 3.47Å; T95-E98 PolarHBondContact N-OE2 3.36Å; T95-E98 PolarHBondContact O-N 3.23Å; T95-E98 WeakPolarHBondContact OG1-CG 3.44Å; T95-E98 PolarHBondContact OG1-N 2.87Å; T95-E98 PolarHBondContact OG1-OE2 2.8Å; T95-A99 PolarHBondContact O-N 2.91Å; T95-P274 HydrophobicContact CG2-CG 4.16Å; T95-P274 WeakPolarHBondContact CG2-O 3.18Å; T95-P276 HydrophobicContact CG2-CG 4.47Å; T95-H299 HydrophobicContact CG2-CB 4.04Å; T95-I303 VanDerWaalsContact C-CG1 3.45Å; T95-I303 WeakPolarHBondContact O-CD1 3.48Å
96	V	97.9	Very high	94.1	Very high	14 Å²	14	49.6 Å²	49.6	9%	0.085	25%	0.249	C	C	.	.	H	α-helix	trans	-66.1	-31.9	178.6	178.9	0	0	0	0	111.3	A99 F100 T173 H299 I303 T342	V96-A99 WeakPolarHBondContact O-CB 3.43Å; V96-A99 PolarHBondContact O-N 2.79Å; V96-F100 PolarHBondContact O-N 2.86Å; V96-T173 HydrophobicContact CB-CG2 4.25Å; V96-T173 HydrophobicContact CG1-CG2 4.48Å; V96-H299 PolarHBondContact N-ND1 3.47Å; V96-I303 HydrophobicContact CG2-CD1 4.11Å; V96-I303 HydrophobicContact CG2-CG1 4.36Å; V96-T342 HydrophobicContact CG2-CG2 4.42Å
97	Y	97.7	Very high	94.7	Very high	19 Å²	19	47.1 Å²	47.1	8%	0.075	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-49.3	172	-173	-122	0	0	0	111.2	T95 A99 F100 L101 L136 L170 P273	T95-Y97 VanDerWaalsContact C-N 3.26Å; T95-Y97 PolarHBondContact O-N 3.47Å; Y97-A99 VanDerWaalsContact C-N 3.29Å; Y97-A99 PolarHBondContact O-N 3.05Å; Y97-F100 WeakPolarHBondContact O-CB 3.4Å; Y97-F100 PolarHBondContact O-N 2.65Å; Y97-F100 VanDerWaalsContact O-N 3.12Å; Y97-L101 HydrophobicContact CD1-CD1 4.03Å; Y97-L101 HydrophobicContact CE1-CD1 3.61Å; Y97-L101 HydrophobicContact CE1-CG 4.24Å; Y97-L101 HydrophobicContact CE2-CD2 4.47Å; Y97-L101 HydrophobicContact CE2-CG 4.5Å; Y97-L101 WeakPolarHBondContact O-CG 3.48Å; Y97-L101 PolarHBondContact O-N 3.28Å; Y97-L136 HydrophobicContact CE2-CD2 4.36Å; Y97-L170 HydrophobicContact CD2-CD1 4.05Å; Y97-P273 HydrophobicContact CD1-CB 4.06Å; Y97-P273 HydrophobicContact CE1-CB 4.38Å
98	E	97.9	Very high	95	Very high	63 Å²	63	48.5 Å²	48.5	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-63.2	-35.1	176.9	-68.5	168.2	159.3	0	0	112.3	V93 T94 T95 F100 L101 R102	V93-E98 HydrophobicContact CB-CB 4.42Å; V93-E98 HydrophobicContact CG1-CB 4.06Å; V93-E98 HydrophobicContact CG2-CB 4.31Å; T94-E98 WeakPolarHBondContact CA-OE2 3.25Å; T94-E98 PolarHBondContact N-OE2 2.99Å; T94-E98 PolarHBondContact OG1-OE2 3.44Å; T95-E98 PolarHBondContact N-OE2 3.36Å; T95-E98 PolarHBondContact O-N 3.23Å; T95-E98 WeakPolarHBondContact OG1-CG 3.44Å; T95-E98 PolarHBondContact OG1-N 2.87Å; T95-E98 PolarHBondContact OG1-OE2 2.8Å; E98-F100 VanDerWaalsContact C-N 3.34Å; E98-L101 PolarHBondContact O-N 2.9Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 PolarHBondContact O-N 2.61Å
99	A	97.9	Very high	94.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.6	-42.6	173.4	0	0	0	0	0	111.6	V93 T95 V96 Y97 R102 G103 I303 F346	V93-A99 HydrophobicContact CG1-CB 3.8Å; T95-A99 PolarHBondContact O-N 2.91Å; V96-A99 WeakPolarHBondContact O-CB 3.43Å; V96-A99 PolarHBondContact O-N 2.79Å; Y97-A99 VanDerWaalsContact C-N 3.29Å; Y97-A99 PolarHBondContact O-N 3.05Å; A99-R102 PolarHBondContact O-N 3.43Å; A99-G103 PolarHBondContact O-N 2.89Å; A99-I303 HydrophobicContact CB-CD1 3.68Å; A99-F346 HydrophobicContact CB-CB 4.22Å; A99-F346 HydrophobicContact CB-CD2 3.89Å; A99-F346 WeakPolarHBondContact O-CA 3.36Å
100	F	97.7	Very high	95.1	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-46.7	173.6	-176.4	-87.7	0	0	0	111.6	V96 Y97 E98 R102 G103 H104 Y128 V131 L132 F166 L170 V345	V96-F100 PolarHBondContact O-N 2.86Å; Y97-F100 WeakPolarHBondContact O-CB 3.4Å; Y97-F100 PolarHBondContact O-N 2.65Å; Y97-F100 VanDerWaalsContact O-N 3.12Å; E98-F100 VanDerWaalsContact C-N 3.34Å; F100-R102 VanDerWaalsContact C-N 3.29Å; F100-R102 PolarHBondContact O-N 3.25Å; F100-G103 WeakPolarHBondContact O-CA 3.14Å; F100-G103 PolarHBondContact O-N 3.16Å; F100-G103 VanDerWaalsContact O-N 3.09Å; F100-H104 HydrophobicContact CE1-CB 4.36Å; F100-H104 WeakPolarHBondContact O-CB 3.05Å; F100-H104 PolarHBondContact O-N 3.14Å; F100-Y128 HydrophobicContact CD2-CE1 4.42Å; F100-Y128 HydrophobicContact CE1-CD1 4.35Å; F100-Y128 AromaticContact CE2-CD1 3.87Å; F100-Y128 HydrophobicContact CE2-CD1 3.87Å; F100-Y128 AromaticContact CE2-CE1 3.89Å; F100-Y128 HydrophobicContact CE2-CE1 3.89Å; F100-Y128 AromaticContact CZ-CD1 3.68Å; F100-Y128 HydrophobicContact CZ-CD1 3.68Å; F100-Y128 HydrophobicContact CZ-CE1 4.19Å; F100-V131 HydrophobicContact CE2-CG1 3.92Å; F100-V131 HydrophobicContact CZ-CB 4.2Å; F100-V131 HydrophobicContact CZ-CG1 3.68Å; F100-L132 HydrophobicContact CD1-CD1 4.25Å; F100-L132 HydrophobicContact CE1-CB 3.99Å; F100-L132 HydrophobicContact CE1-CD1 3.98Å; F100-L132 HydrophobicContact CE1-CG 4.46Å; F100-F166 HydrophobicContact CD2-CE1 4Å; F100-F166 HydrophobicContact CD2-CZ 4.11Å; F100-F166 AromaticContact CE2-CE1 3.84Å; F100-F166 HydrophobicContact CE2-CE1 3.84Å; F100-F166 HydrophobicContact CE2-CZ 4.3Å; F100-L170 HydrophobicContact CB-CD1 3.86Å; F100-L170 HydrophobicContact CD1-CD1 4.14Å; F100-L170 HydrophobicContact CD1-CD2 3.66Å; F100-L170 HydrophobicContact CD2-CD1 4.28Å; F100-L170 HydrophobicContact CD2-CD2 3.78Å; F100-L170 HydrophobicContact CE1-CD2 3.6Å; F100-L170 HydrophobicContact CE2-CD2 3.7Å; F100-L170 HydrophobicContact CG-CD1 3.82Å; F100-L170 HydrophobicContact CG-CD2 3.76Å; F100-L170 HydrophobicContact CG-CG 4.47Å; F100-L170 HydrophobicContact CZ-CD2 3.61Å; F100-V345 HydrophobicContact CD2-CB 4.18Å; F100-V345 HydrophobicContact CD2-CG1 4.26Å
101	L	96.8	Very high	95.3	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-36.7	178.3	-66.8	-178.2	0	0	0	112.6	Y97 E98 H104 R105 L132	Y97-L101 HydrophobicContact CD1-CD1 4.03Å; Y97-L101 HydrophobicContact CE1-CD1 3.61Å; Y97-L101 HydrophobicContact CE1-CG 4.24Å; Y97-L101 HydrophobicContact CE2-CD2 4.47Å; Y97-L101 HydrophobicContact CE2-CG 4.5Å; Y97-L101 WeakPolarHBondContact O-CG 3.48Å; Y97-L101 PolarHBondContact O-N 3.28Å; E98-L101 PolarHBondContact O-N 2.9Å; L101-H104 WeakPolarHBondContact O-CB 3.33Å; L101-R105 WeakPolarHBondContact O-CG 3.39Å; L101-R105 PolarHBondContact O-N 2.99Å; L101-R105 VanDerWaalsContact O-N 3.12Å; L101-R105 PolarHBondContact O-NH1 2.95Å; L101-L132 HydrophobicContact CD2-CD1 4.03Å; L101-L132 HydrophobicContact CD2-CD2 4.1Å
102	R	96.5	Very high	95.5	Very high	38 Å²	38	43 Å²	43	14%	0.143	23%	0.231	C	C	.	.	H	α-helix	trans	-63	-47.9	172	-179.8	-177	-172.8	-82.5	1.2	111.3	D90 V93 E98 A99 F100 H104 R105 L106 F346	D90-R102 WeakPolarHBondContact OD2-CD 3.31Å; D90-R102 IonicContact OD2-CZ 2.77Å; D90-R102 IonicContact OD2-NE 3.14Å; D90-R102 PolarHBondContact OD2-NE 2.81Å; V93-R102 HydrophobicContact CG2-CB 3.92Å; V93-R102 HydrophobicContact CG2-CG 4.34Å; E98-R102 WeakPolarHBondContact O-CB 3.4Å; E98-R102 PolarHBondContact O-N 2.61Å; A99-R102 PolarHBondContact O-N 3.43Å; F100-R102 VanDerWaalsContact C-N 3.29Å; F100-R102 PolarHBondContact O-N 3.25Å; R102-H104 VanDerWaalsContact C-N 3.33Å; R102-H104 PolarHBondContact O-N 2.93Å; R102-R105 PolarHBondContact O-N 2.82Å; R102-L106 HydrophobicContact CG-CD1 4.27Å; R102-L106 WeakPolarHBondContact O-CG 3.33Å; R102-L106 PolarHBondContact O-N 3.14Å; R102-F346 VanDerWaalsContact CZ-CE1 3.42Å; R102-F346 PolarHBondContact NH1-O 3.1Å
103	G	95.8	Very high	95.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.3	-47.5	176.1	0	0	0	0	0	113.8	A99 F100 R105 L106 S107 V345 G348	A99-G103 PolarHBondContact O-N 2.89Å; F100-G103 WeakPolarHBondContact O-CA 3.14Å; F100-G103 PolarHBondContact O-N 3.16Å; F100-G103 VanDerWaalsContact O-N 3.09Å; G103-R105 PolarHBondContact O-N 3.3Å; G103-L106 PolarHBondContact O-N 3.17Å; G103-S107 WeakPolarHBondContact O-CB 3.48Å; G103-S107 PolarHBondContact O-N 3.48Å; G103-V345 WeakPolarHBondContact CA-O 3.39Å; G103-G348 VanDerWaalsContact O-CA 3.26Å; G103-G348 WeakPolarHBondContact O-CA 3.36Å
104	H	95.9	Very high	95.7	Very high	38 Å²	38	38.3 Å²	38.3	18%	0.176	20%	0.202	C	C	.	.	H	α-helix	trans	-51.9	-54	175	170.2	-83.7	0	0	0	110.7	F100 L101 R102 L106 S107 A108 Y128 D129	F100-H104 HydrophobicContact CE1-CB 4.36Å; F100-H104 WeakPolarHBondContact O-CB 3.05Å; F100-H104 PolarHBondContact O-N 3.14Å; L101-H104 WeakPolarHBondContact O-CB 3.33Å; R102-H104 VanDerWaalsContact C-N 3.33Å; R102-H104 PolarHBondContact O-N 2.93Å; H104-L106 PolarHBondContact O-N 3.47Å; H104-S107 PolarHBondContact O-N 3Å; H104-S107 PolarHBondContact O-OG 2.6Å; H104-A108 PolarHBondContact O-N 3.33Å; H104-Y128 HydrophobicContact CB-CD1 4.11Å; H104-D129 IonicContact CD2-OD1 2.84Å; H104-D129 IonicContact CE1-OD1 2.72Å; H104-D129 PolarHBondContact CE1-OD1 2.74Å; H104-D129 IonicContact NE2-OD1 3.24Å; H104-D129 PolarHBondContact NE2-OD1 2.97Å
105	R	95.5	Very high	95.7	Very high	151 Å²	151	40 Å²	40	57%	0.57	20%	0.203	S	C	*	.	H	α-helix	trans	-57.6	-44.9	175.6	-69.8	-172	-61.4	-92	7.8	113.1	L101 R102 G103 S107 A108	L101-R105 WeakPolarHBondContact O-CG 3.39Å; L101-R105 PolarHBondContact O-N 2.99Å; L101-R105 VanDerWaalsContact O-N 3.12Å; L101-R105 PolarHBondContact O-NH1 2.95Å; R102-R105 PolarHBondContact O-N 2.82Å; G103-R105 PolarHBondContact O-N 3.3Å; R105-S107 VanDerWaalsContact C-N 3.29Å; R105-S107 PolarHBondContact O-N 2.95Å; R105-A108 PolarHBondContact O-N 2.97Å
106	L	94	Very high	95.4	Very high	91 Å²	91	41.9 Å²	41.9	48%	0.476	21%	0.21	S	C	.	.	H	α-helix	trans	-70.1	-25.7	-179.5	-71.2	-179.6	0	0	0	113.8	R102 G103 H104 A108	R102-L106 HydrophobicContact CG-CD1 4.27Å; R102-L106 WeakPolarHBondContact O-CG 3.33Å; R102-L106 PolarHBondContact O-N 3.14Å; G103-L106 PolarHBondContact O-N 3.17Å; H104-L106 PolarHBondContact O-N 3.47Å; L106-A108 VanDerWaalsContact C-N 3.35Å
107	S	92	Very high	95.1	Very high	23 Å²	23	42.4 Å²	42.4	16%	0.161	21%	0.214	C	C	.	.	H	α-helix	trans	-77.6	-22.3	-179.1	80	0	0	0	0	113.1	G103 H104 R105 D109 G110 Y128	G103-S107 WeakPolarHBondContact O-CB 3.48Å; G103-S107 PolarHBondContact O-N 3.48Å; H104-S107 PolarHBondContact O-N 3Å; H104-S107 PolarHBondContact O-OG 2.6Å; R105-S107 VanDerWaalsContact C-N 3.29Å; R105-S107 PolarHBondContact O-N 2.95Å; S107-D109 PolarHBondContact OG-N 3.3Å; S107-G110 PolarHBondContact O-N 3.42Å; S107-G110 VanDerWaalsContact O-N 3.16Å; S107-G110 PolarHBondContact OG-N 3.46Å; S107-Y128 WeakPolarHBondContact OG-CD2 3.06Å
108	A	90.2	Very high	94.5	Very high	90 Å²	90	47.3 Å²	47.3	74%	0.744	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	57	-171.6	0	0	0	0	0	112.2	H104 R105 L106 G110	H104-A108 PolarHBondContact O-N 3.33Å; R105-A108 PolarHBondContact O-N 2.97Å; L106-A108 VanDerWaalsContact C-N 3.35Å; A108-G110 VanDerWaalsContact C-N 3.29Å; A108-G110 PolarHBondContact O-N 3.2Å
109	D	84.8	Confident	93.8	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	27%	0.273	S	S	.	.	S	Bend	trans	53.3	42	-170.9	-168.4	36.8	0	0	0	113.7	S107 T127 D129	S107-D109 PolarHBondContact OG-N 3.3Å; D109-T127 WeakPolarHBondContact OD1-CB 3.28Å; D109-T127 PolarHBondContact OD1-OG1 3.45Å; D109-D129 VanDerWaalsContact CG-CG 3.47Å; D109-D129 WeakPolarHBondContact OD1-CB 3.45Å; D109-D129 VanDerWaalsContact OD1-CG 3.26Å; D109-D129 PolarHBondContact OD1-N 2.95Å
110	G	92.7	Very high	93.3	Very high	19 Å²	19	52.8 Å²	52.8	20%	0.196	28%	0.281	C	S	.	.			trans	-69.3	172.7	176	0	0	0	0	0	112.5	S107 A108 C112 T127 Y128	S107-G110 PolarHBondContact O-N 3.42Å; S107-G110 VanDerWaalsContact O-N 3.16Å; S107-G110 PolarHBondContact OG-N 3.46Å; A108-G110 VanDerWaalsContact C-N 3.29Å; A108-G110 PolarHBondContact O-N 3.2Å; G110-C112 PolarHBondContact O-N 2.75Å; G110-T127 WeakPolarHBondContact O-CA 3.28Å; G110-Y128 WeakPolarHBondContact O-CD2 3.44Å; G110-Y128 PolarHBondContact O-N 2.68Å
111	K	96.8	Very high	92.8	Very high	93 Å²	93	57 Å²	57	40%	0.404	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	129.8	165.2	-66.4	175.5	170.5	-169.2	0	109.8	W125 R350	K111-W125 HydrophobicContact CB-CB 4.22Å; K111-W125 HydrophobicContact CB-CD2 4.03Å; K111-W125 HydrophobicContact CB-CE3 3.78Å; K111-W125 HydrophobicContact CB-CG 4.24Å; K111-W125 HydrophobicContact CD-CB 3.94Å; K111-W125 HydrophobicContact CD-CD2 3.78Å; K111-W125 HydrophobicContact CD-CE3 4.38Å; K111-W125 HydrophobicContact CD-CG 3.54Å; K111-W125 HydrophobicContact CG-CB 3.85Å; K111-W125 HydrophobicContact CG-CD2 4.23Å; K111-W125 HydrophobicContact CG-CE3 4.47Å; K111-W125 HydrophobicContact CG-CG 3.97Å; K111-R350 HydrophobicContact CB-CG 3.85Å; K111-R350 WeakPolarHBondContact O-CG 3.22Å
112	C	97.9	Very high	92.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-71.2	178.1	-172.7	0	0	0	0	110.7	G110 I126 Y128 V131 R350 I351	G110-C112 PolarHBondContact O-N 2.75Å; C112-I126 WeakPolarHBondContact CB-O 3.41Å; C112-I126 PolarHBondContact N-O 3.4Å; C112-Y128 HydrophobicContact CB-CD1 4Å; C112-Y128 HydrophobicContact CB-CD2 3.54Å; C112-Y128 HydrophobicContact CB-CE1 4.21Å; C112-Y128 HydrophobicContact CB-CE2 3.78Å; C112-Y128 HydrophobicContact CB-CG 3.66Å; C112-Y128 WeakPolarHBondContact SG-CE1 3.41Å; C112-V131 HydrophobicContact CB-CG2 4.04Å; C112-R350 CarbonylContact O-C 3.51Å; C112-R350 WeakPolarHBondContact O-CA 3.17Å; C112-I351 PolarHBondContact O-N 2.95Å
113	L	98.4	Very high	92.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.8	-173.9	-55.8	-179.6	0	0	0	110.7	W125 I126 V131 P163 F166 I167 I351 F353	L113-W125 CarbonylContact O-C 3.52Å; L113-W125 VanDerWaalsContact O-CA 3.29Å; L113-W125 WeakPolarHBondContact O-CA 3.42Å; L113-I126 HydrophobicContact CB-CB 4.46Å; L113-I126 PolarHBondContact N-O 3.25Å; L113-I126 PolarHBondContact O-N 3.07Å; L113-V131 HydrophobicContact CB-CG2 4.44Å; L113-V131 HydrophobicContact CD1-CG1 4.18Å; L113-V131 HydrophobicContact CD1-CG2 3.66Å; L113-V131 HydrophobicContact CG-CG2 3.8Å; L113-P163 HydrophobicContact CB-CB 4.39Å; L113-P163 HydrophobicContact CD1-CB 4.12Å; L113-F166 HydrophobicContact CD1-CB 3.87Å; L113-F166 HydrophobicContact CD1-CD1 3.74Å; L113-F166 HydrophobicContact CD1-CG 3.97Å; L113-F166 HydrophobicContact CD2-CB 4.25Å; L113-F166 HydrophobicContact CD2-CD1 3.88Å; L113-F166 HydrophobicContact CD2-CD2 4.14Å; L113-F166 HydrophobicContact CD2-CE1 4.36Å; L113-F166 HydrophobicContact CD2-CG 3.79Å; L113-F166 HydrophobicContact CG-CD1 4.34Å; L113-I167 HydrophobicContact CD1-CD1 4.32Å; L113-I167 HydrophobicContact CD1-CG1 4Å; L113-I351 CarbonylContact C-O 3.28Å; L113-I351 WeakPolarHBondContact CA-O 3.49Å; L113-I351 HydrophobicContact CD2-CB 4.13Å; L113-I351 HydrophobicContact CD2-CD1 4.42Å; L113-F353 HydrophobicContact CB-CE2 4.2Å; L113-F353 HydrophobicContact CD2-CE2 4.03Å; L113-F353 HydrophobicContact CD2-CZ 4.4Å; L113-F353 HydrophobicContact CG-CE2 4.48Å
114	G	97.8	Very high	92.6	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.2	178.9	0	0	0	0	0	111.2	K124 I351 G352 F353	G114-K124 CarbonylContact C-O 3.53Å; G114-K124 WeakPolarHBondContact CA-O 3.39Å; G114-I351 PolarHBondContact N-O 3.29Å; G114-G352 CarbonylContact O-C 3.58Å; G114-G352 WeakPolarHBondContact O-CA 3.5Å; G114-F353 WeakPolarHBondContact O-CD2 3.32Å; G114-F353 PolarHBondContact O-N 3.1Å
115	Y	96.6	Very high	92.6	Very high	89 Å²	89	65.3 Å²	65.3	35%	0.349	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.6	173.5	67.4	-79.6	0	0	0	110.5	P117 Y123 K124 P163	Y115-P117 HydrophobicContact CD2-CG 4.48Å; Y115-P117 HydrophobicContact CE2-CG 4.19Å; Y115-P117 WeakPolarHBondContact O-CD 3.2Å; Y115-Y123 WeakPolarHBondContact O-CA 3.1Å; Y115-K124 HydrophobicContact CD1-CB 4.23Å; Y115-K124 HydrophobicContact CE1-CB 3.68Å; Y115-K124 HydrophobicContact CE2-CB 4.26Å; Y115-K124 HydrophobicContact CE2-CD 4.33Å; Y115-K124 PolarHBondContact N-O 2.65Å; Y115-K124 PolarHBondContact O-N 3.06Å; Y115-P163 HydrophobicContact CD1-CG 3.95Å; Y115-P163 HydrophobicContact CG-CG 4.14Å
116	R	93.7	Very high	92.8	Very high	42 Å²	42	59.4 Å²	59.4	16%	0.158	33%	0.331	C	S	.	.			trans	-102.5	109.7	179.7	-170.6	-179.4	178.7	-170.9	-0.4	109.5	S120 Y123 D364	R116-S120 VanDerWaalsContact CZ-O 3.27Å; R116-S120 PolarHBondContact NE-O 2.95Å; R116-S120 PolarHBondContact NH2-O 2.89Å; R116-Y123 HydrophobicContact CB-CD1 4.34Å; R116-Y123 HydrophobicContact CB-CD2 4.23Å; R116-Y123 HydrophobicContact CB-CE1 4.04Å; R116-Y123 HydrophobicContact CB-CE2 3.89Å; R116-Y123 HydrophobicContact CB-CG 4.44Å; R116-Y123 HydrophobicContact CG-CD2 4.41Å; R116-Y123 HydrophobicContact CG-CE2 4.15Å; R116-D364 VanDerWaalsContact CD-OD1 3.26Å; R116-D364 WeakPolarHBondContact CD-OD1 3.49Å; R116-D364 IonicContact CZ-OD1 2.74Å; R116-D364 IonicContact NE-OD1 2.88Å; R116-D364 IonicContact NH1-OD1 3.48Å; R116-D364 PolarHBondContact NH1-OD1 3.07Å
117	P	90.6	Very high	92.9	Very high	25 Å²	25	56.8 Å²	56.8	16%	0.162	32%	0.319	C	S	.	.			trans	-58.5	151.2	174.4	-22.9	33.1	0	0	0	111.6	Y115 N119 S120 K124	Y115-P117 HydrophobicContact CD2-CG 4.48Å; Y115-P117 HydrophobicContact CE2-CG 4.19Å; Y115-P117 WeakPolarHBondContact O-CD 3.2Å; P117-N119 PolarHBondContact O-N 2.96Å; P117-S120 VanDerWaalsContact O-CB 3.26Å; P117-S120 WeakPolarHBondContact O-CB 3.46Å; P117-S120 PolarHBondContact O-N 3.11Å; P117-K124 HydrophobicContact CG-CD 3.85Å; P117-K124 HydrophobicContact CG-CG 3.94Å
118	P	86.2	Confident	93.2	Very high	122 Å²	122	55.7 Å²	55.7	79%	0.792	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	134.3	174.5	-26.8	34.6	0	0	0	111.4	S120	P118-S120 PolarHBondContact O-N 2.68Å
119	N	82.1	Confident	93.5	Very high	152 Å²	152	55 Å²	55	81%	0.813	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	12.9	179.7	-54.9	-35.3	0	0	0	116	P117	P117-N119 PolarHBondContact O-N 2.96Å
120	S	87.6	Confident	94	Very high	26 Å²	26	55.6 Å²	55.6	18%	0.182	30%	0.298	C	S	.	.			trans	-85.4	146.3	175	-178.3	0	0	0	0	111.9	R116 P117 P118 T122	R116-S120 VanDerWaalsContact CZ-O 3.27Å; R116-S120 PolarHBondContact NE-O 2.95Å; R116-S120 PolarHBondContact NH2-O 2.89Å; P117-S120 VanDerWaalsContact O-CB 3.26Å; P117-S120 WeakPolarHBondContact O-CB 3.46Å; P117-S120 PolarHBondContact O-N 3.11Å; P118-S120 PolarHBondContact O-N 2.68Å; S120-T122 PolarHBondContact OG-N 3.4Å; S120-T122 PolarHBondContact OG-O 2.82Å; S120-T122 PolarHBondContact OG-OG1 3.41Å
121	S	86.5	Confident	94.2	Very high	91 Å²	91	54.7 Å²	54.7	64%	0.636	29%	0.289	S	S	*	.	S	Bend	trans	-87.5	-8.1	166.8	59.5	0	0	0	0	113.1
122	T	91.7	Very high	94.1	Very high	87 Å²	87	51.5 Å²	51.5	53%	0.534	28%	0.276	S	S	.	.	S	Bend	trans	-125.5	151.7	-173.1	62.5	0	0	0	0	112.3	S120	S120-T122 PolarHBondContact OG-N 3.4Å; S120-T122 PolarHBondContact OG-O 2.82Å; S120-T122 PolarHBondContact OG-OG1 3.41Å
123	Y	95.9	Very high	93.9	Very high	23 Å²	23	57.9 Å²	57.9	9%	0.09	30%	0.304	C	S	.	.			trans	-91	135.2	175.2	-84.5	-110.7	0	0	0	111	Y115 R116 F353 A367 L368	Y115-Y123 WeakPolarHBondContact O-CA 3.1Å; R116-Y123 HydrophobicContact CB-CD1 4.34Å; R116-Y123 HydrophobicContact CB-CD2 4.23Å; R116-Y123 HydrophobicContact CB-CE1 4.04Å; R116-Y123 HydrophobicContact CB-CE2 3.89Å; R116-Y123 HydrophobicContact CB-CG 4.44Å; R116-Y123 HydrophobicContact CG-CD2 4.41Å; R116-Y123 HydrophobicContact CG-CE2 4.15Å; Y123-F353 WeakPolarHBondContact CE1-O 3.34Å; Y123-F353 PolarHBondContact OH-O 3.24Å; Y123-A367 HydrophobicContact CD2-CB 4.29Å; Y123-A367 HydrophobicContact CE2-CB 3.93Å; Y123-L368 HydrophobicContact CD1-CD1 3.71Å; Y123-L368 HydrophobicContact CD2-CB 4.18Å; Y123-L368 HydrophobicContact CD2-CD1 4.11Å; Y123-L368 HydrophobicContact CE1-CB 4.35Å; Y123-L368 HydrophobicContact CE1-CD1 3.68Å; Y123-L368 HydrophobicContact CE1-CD2 4.32Å; Y123-L368 HydrophobicContact CE1-CG 4.33Å; Y123-L368 HydrophobicContact CE2-CB 3.58Å; Y123-L368 HydrophobicContact CE2-CD1 4.1Å; Y123-L368 HydrophobicContact CE2-CG 4.37Å; Y123-L368 HydrophobicContact CG-CD1 3.92Å
124	K	97	Very high	93.7	Very high	119 Å²	119	60 Å²	60	52%	0.517	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	149.9	163.6	-69.2	-172.5	176.8	-175.2	0	109	G114 Y115 P117	G114-K124 CarbonylContact C-O 3.53Å; G114-K124 WeakPolarHBondContact CA-O 3.39Å; Y115-K124 HydrophobicContact CD1-CB 4.23Å; Y115-K124 HydrophobicContact CE1-CB 3.68Å; Y115-K124 HydrophobicContact CE2-CB 4.26Å; Y115-K124 HydrophobicContact CE2-CD 4.33Å; Y115-K124 PolarHBondContact N-O 2.65Å; Y115-K124 PolarHBondContact O-N 3.06Å; P117-K124 HydrophobicContact CG-CD 3.85Å; P117-K124 HydrophobicContact CG-CG 3.94Å
125	W	97.6	Very high	93.6	Very high	61 Å²	61	60 Å²	60	23%	0.231	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.9	-174.1	-67.2	87.3	0	0	0	110.8	K111 L113 T325 R350 L368	K111-W125 HydrophobicContact CB-CB 4.22Å; K111-W125 HydrophobicContact CB-CD2 4.03Å; K111-W125 HydrophobicContact CB-CE3 3.78Å; K111-W125 HydrophobicContact CB-CG 4.24Å; K111-W125 HydrophobicContact CD-CB 3.94Å; K111-W125 HydrophobicContact CD-CD2 3.78Å; K111-W125 HydrophobicContact CD-CE3 4.38Å; K111-W125 HydrophobicContact CD-CG 3.54Å; K111-W125 HydrophobicContact CG-CB 3.85Å; K111-W125 HydrophobicContact CG-CD2 4.23Å; K111-W125 HydrophobicContact CG-CE3 4.47Å; K111-W125 HydrophobicContact CG-CG 3.97Å; L113-W125 CarbonylContact O-C 3.52Å; L113-W125 VanDerWaalsContact O-CA 3.29Å; L113-W125 WeakPolarHBondContact O-CA 3.42Å; W125-T325 HydrophobicContact CH2-CG2 3.78Å; W125-T325 HydrophobicContact CZ2-CG2 4.5Å; W125-R350 HydrophobicContact CH2-CB 3.84Å; W125-R350 HydrophobicContact CH2-CG 4.39Å; W125-R350 HydrophobicContact CZ3-CB 3.61Å; W125-R350 HydrophobicContact CZ3-CG 4Å; W125-L368 HydrophobicContact CH2-CD1 3.92Å; W125-L368 HydrophobicContact CZ2-CD1 3.78Å
126	I	97.9	Very high	93.5	Very high	27 Å²	27	56.9 Å²	56.9	14%	0.138	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.6	170.5	-46.2	176	0	0	0	106.9	C112 L113 D130 V131 P163 I167	C112-I126 WeakPolarHBondContact CB-O 3.41Å; C112-I126 PolarHBondContact N-O 3.4Å; L113-I126 HydrophobicContact CB-CB 4.46Å; L113-I126 PolarHBondContact N-O 3.25Å; L113-I126 PolarHBondContact O-N 3.07Å; I126-D130 HydrophobicContact CG2-CB 3.59Å; I126-V131 HydrophobicContact CB-CG2 4.06Å; I126-V131 HydrophobicContact CG2-CG2 3.66Å; I126-P163 HydrophobicContact CD1-CB 3.92Å; I126-P163 HydrophobicContact CD1-CG 4.5Å; I126-I167 HydrophobicContact CD1-CD1 4.35Å
127	T	98	Very high	93.4	Very high	37 Å²	37	55.6 Å²	55.6	23%	0.227	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	169.2	-179.1	73.6	0	0	0	0	111.8	D109 G110 D130 V131	D109-T127 WeakPolarHBondContact OD1-CB 3.28Å; D109-T127 PolarHBondContact OD1-OG1 3.45Å; G110-T127 WeakPolarHBondContact O-CA 3.28Å; T127-D130 PolarHBondContact OG1-N 2.98Å; T127-V131 WeakPolarHBondContact O-CB 3.36Å; T127-V131 WeakPolarHBondContact O-CG2 3.38Å; T127-V131 PolarHBondContact O-N 2.77Å; T127-V131 VanDerWaalsContact O-N 3.09Å
128	Y	97.4	Very high	93.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-37.9	175.6	-91.5	-84.5	0	0	0	112	F100 H104 S107 G110 C112 L132 G348 K349	F100-Y128 HydrophobicContact CD2-CE1 4.42Å; F100-Y128 HydrophobicContact CE1-CD1 4.35Å; F100-Y128 AromaticContact CE2-CD1 3.87Å; F100-Y128 HydrophobicContact CE2-CD1 3.87Å; F100-Y128 AromaticContact CE2-CE1 3.89Å; F100-Y128 HydrophobicContact CE2-CE1 3.89Å; F100-Y128 AromaticContact CZ-CD1 3.68Å; F100-Y128 HydrophobicContact CZ-CD1 3.68Å; F100-Y128 HydrophobicContact CZ-CE1 4.19Å; H104-Y128 HydrophobicContact CB-CD1 4.11Å; S107-Y128 WeakPolarHBondContact OG-CD2 3.06Å; G110-Y128 WeakPolarHBondContact O-CD2 3.44Å; G110-Y128 PolarHBondContact O-N 2.68Å; C112-Y128 HydrophobicContact CB-CD1 4Å; C112-Y128 HydrophobicContact CB-CD2 3.54Å; C112-Y128 HydrophobicContact CB-CE1 4.21Å; C112-Y128 HydrophobicContact CB-CE2 3.78Å; C112-Y128 HydrophobicContact CB-CG 3.66Å; C112-Y128 WeakPolarHBondContact SG-CE1 3.41Å; Y128-L132 WeakPolarHBondContact O-CB 2.86Å; Y128-L132 PolarHBondContact O-N 2.7Å; Y128-G348 VanDerWaalsContact OH-CA 3.27Å; Y128-G348 WeakPolarHBondContact OH-CA 3.39Å; Y128-K349 PolarHBondContact OH-N 3.29Å; Y128-K349 VanDerWaalsContact OH-N 3.14Å; Y128-K349 PolarHBondContact OH-O 3.24Å
129	D	96	Very high	93.8	Very high	74 Å²	74	48.6 Å²	48.6	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-63.2	-48.2	175.9	-78	1.5	0	0	0	111.5	H104 D109 V131 L132 K133	H104-D129 IonicContact CD2-OD1 2.84Å; H104-D129 IonicContact CE1-OD1 2.72Å; H104-D129 PolarHBondContact CE1-OD1 2.74Å; H104-D129 IonicContact NE2-OD1 3.24Å; H104-D129 PolarHBondContact NE2-OD1 2.97Å; D109-D129 VanDerWaalsContact CG-CG 3.47Å; D109-D129 WeakPolarHBondContact OD1-CB 3.45Å; D109-D129 VanDerWaalsContact OD1-CG 3.26Å; D109-D129 PolarHBondContact OD1-N 2.95Å; D129-V131 VanDerWaalsContact C-N 3.35Å; D129-V131 PolarHBondContact O-N 2.88Å; D129-L132 PolarHBondContact O-N 3.03Å; D129-K133 WeakPolarHBondContact O-CB 3.49Å; D129-K133 PolarHBondContact O-N 2.85Å
130	D	95.7	Very high	94.1	Very high	80 Å²	80	42.4 Å²	42.4	43%	0.428	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-43.5	179.7	-77.9	-21.9	0	0	0	111.4	I126 T127 K133 Q134	I126-D130 HydrophobicContact CG2-CB 3.59Å; T127-D130 PolarHBondContact OG1-N 2.98Å; D130-K133 PolarHBondContact O-N 2.71Å; D130-Q134 VanDerWaalsContact O-CB 3.3Å; D130-Q134 WeakPolarHBondContact O-CB 3.22Å; D130-Q134 WeakPolarHBondContact O-CG 3.43Å; D130-Q134 PolarHBondContact O-N 2.91Å
131	V	97.1	Very high	94.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-44	176.7	170.6	0	0	0	0	111	F100 C112 L113 I126 T127 D129 A135 F166 I167 L170	F100-V131 HydrophobicContact CE2-CG1 3.92Å; F100-V131 HydrophobicContact CZ-CB 4.2Å; F100-V131 HydrophobicContact CZ-CG1 3.68Å; C112-V131 HydrophobicContact CB-CG2 4.04Å; L113-V131 HydrophobicContact CB-CG2 4.44Å; L113-V131 HydrophobicContact CD1-CG1 4.18Å; L113-V131 HydrophobicContact CD1-CG2 3.66Å; L113-V131 HydrophobicContact CG-CG2 3.8Å; I126-V131 HydrophobicContact CB-CG2 4.06Å; I126-V131 HydrophobicContact CG2-CG2 3.66Å; T127-V131 WeakPolarHBondContact O-CB 3.36Å; T127-V131 WeakPolarHBondContact O-CG2 3.38Å; T127-V131 PolarHBondContact O-N 2.77Å; T127-V131 VanDerWaalsContact O-N 3.09Å; D129-V131 VanDerWaalsContact C-N 3.35Å; D129-V131 PolarHBondContact O-N 2.88Å; V131-A135 VanDerWaalsContact O-CB 3.25Å; V131-A135 WeakPolarHBondContact O-CB 3.43Å; V131-A135 PolarHBondContact O-N 3.05Å; V131-F166 HydrophobicContact CG1-CD1 4.27Å; V131-F166 HydrophobicContact CG1-CE1 4.3Å; V131-I167 HydrophobicContact CG1-CG1 4.27Å; V131-L170 HydrophobicContact CG1-CD2 4.05Å
132	L	95.3	Very high	94.3	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.141	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-49.5	178.5	-175.6	56.7	0	0	0	110.6	F100 L101 Y128 D129 Q134 A135 L136	F100-L132 HydrophobicContact CD1-CD1 4.25Å; F100-L132 HydrophobicContact CE1-CB 3.99Å; F100-L132 HydrophobicContact CE1-CD1 3.98Å; F100-L132 HydrophobicContact CE1-CG 4.46Å; L101-L132 HydrophobicContact CD2-CD1 4.03Å; L101-L132 HydrophobicContact CD2-CD2 4.1Å; Y128-L132 WeakPolarHBondContact O-CB 2.86Å; Y128-L132 PolarHBondContact O-N 2.7Å; D129-L132 PolarHBondContact O-N 3.03Å; L132-Q134 PolarHBondContact O-N 3.26Å; L132-A135 PolarHBondContact O-N 3.38Å; L132-L136 HydrophobicContact CD1-CD1 4.05Å; L132-L136 HydrophobicContact CD1-CD2 4.39Å; L132-L136 HydrophobicContact CD1-CG 3.95Å; L132-L136 HydrophobicContact CG-CD1 4.03Å; L132-L136 HydrophobicContact CG-CG 4.29Å; L132-L136 WeakPolarHBondContact O-CB 3.32Å; L132-L136 VanDerWaalsContact O-CG 3.22Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 2.92Å
133	K	93.2	Very high	94	Very high	134 Å²	134	35.5 Å²	35.5	58%	0.583	17%	0.172	S	C	*	.	H	α-helix	trans	-57.1	-50	178.9	-175.9	-179.4	177.4	-176.4	0	111.4	D129 D130 A135 L136 S137	D129-K133 WeakPolarHBondContact O-CB 3.49Å; D129-K133 PolarHBondContact O-N 2.85Å; D130-K133 PolarHBondContact O-N 2.71Å; K133-A135 PolarHBondContact O-N 2.73Å; K133-L136 PolarHBondContact O-N 2.85Å; K133-S137 PolarHBondContact O-N 2.75Å; K133-S137 PolarHBondContact O-OG 3Å
134	Q	94.6	Very high	93.3	Very high	43 Å²	43	40.6 Å²	40.6	20%	0.201	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-46.5	178.5	-75.2	173.8	41.5	0	0	111.9	D130 L132 L138 I167 M259	D130-Q134 VanDerWaalsContact O-CB 3.3Å; D130-Q134 WeakPolarHBondContact O-CB 3.22Å; D130-Q134 WeakPolarHBondContact O-CG 3.43Å; D130-Q134 PolarHBondContact O-N 2.91Å; L132-Q134 PolarHBondContact O-N 3.26Å; Q134-L138 VanDerWaalsContact O-CB 3.24Å; Q134-L138 WeakPolarHBondContact O-CB 3.44Å; Q134-L138 PolarHBondContact O-N 3.2Å; Q134-I167 HydrophobicContact CB-CG2 3.9Å; Q134-I167 VanDerWaalsContact OE1-CD1 3.24Å; Q134-M259 HydrophobicContact CB-CE 3.57Å; Q134-M259 HydrophobicContact CG-CE 3.73Å
135	A	95.4	Very high	92.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-42.6	-179.9	0	0	0	0	0	112.1	V131 L132 K133 L138 G139 I167 L170 A171	V131-A135 VanDerWaalsContact O-CB 3.25Å; V131-A135 WeakPolarHBondContact O-CB 3.43Å; V131-A135 PolarHBondContact O-N 3.05Å; L132-A135 PolarHBondContact O-N 3.38Å; K133-A135 PolarHBondContact O-N 2.73Å; A135-L138 PolarHBondContact O-N 2.88Å; A135-G139 PolarHBondContact O-N 2.9Å; A135-I167 HydrophobicContact CB-CG2 4.35Å; A135-L170 HydrophobicContact CB-CB 3.84Å; A135-L170 HydrophobicContact CB-CD2 3.66Å; A135-L170 HydrophobicContact CB-CG 3.67Å; A135-A171 HydrophobicContact CB-CB 4.37Å; A135-A171 VanDerWaalsContact O-CA 3.23Å; A135-A171 WeakPolarHBondContact O-CA 3.21Å; A135-A171 WeakPolarHBondContact O-CB 3.25Å
136	L	93.8	Very high	90.9	Very high	25 Å²	25	35.8 Å²	35.8	13%	0.131	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-48.7	179.5	-74.8	-171.4	0	0	0	112.2	Y97 L132 K133 G139 L140 V269 V271	Y97-L136 HydrophobicContact CE2-CD2 4.36Å; L132-L136 HydrophobicContact CD1-CD1 4.05Å; L132-L136 HydrophobicContact CD1-CD2 4.39Å; L132-L136 HydrophobicContact CD1-CG 3.95Å; L132-L136 HydrophobicContact CG-CD1 4.03Å; L132-L136 HydrophobicContact CG-CG 4.29Å; L132-L136 WeakPolarHBondContact O-CB 3.32Å; L132-L136 VanDerWaalsContact O-CG 3.22Å; L132-L136 WeakPolarHBondContact O-CG 3.39Å; L132-L136 PolarHBondContact O-N 2.92Å; K133-L136 PolarHBondContact O-N 2.85Å; L136-G139 PolarHBondContact O-N 2.8Å; L136-L140 PolarHBondContact O-N 3.42Å; L136-V269 HydrophobicContact CB-CB 4.2Å; L136-V269 HydrophobicContact CB-CG1 3.6Å; L136-V269 HydrophobicContact CB-CG2 4.15Å; L136-V269 HydrophobicContact CD1-CB 4.39Å; L136-V269 HydrophobicContact CD1-CG1 4.5Å; L136-V269 HydrophobicContact CD1-CG2 4.5Å; L136-V269 HydrophobicContact CD2-CG1 4.37Å; L136-V269 HydrophobicContact CG-CG1 4.37Å; L136-V269 WeakPolarHBondContact O-CG1 2.97Å; L136-V271 HydrophobicContact CD2-CG1 3.44Å; L136-V271 VanDerWaalsContact CD2-CG1 3.44Å
137	S	91.7	Very high	89.3	Confident	14 Å²	14	37.1 Å²	37.1	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-58.7	-49.2	175	-71.3	0	0	0	0	111.3	K133 G139 L140 A141 A262	K133-S137 PolarHBondContact O-N 2.75Å; K133-S137 PolarHBondContact O-OG 3Å; S137-G139 VanDerWaalsContact C-N 3.33Å; S137-G139 PolarHBondContact O-N 3.17Å; S137-L140 PolarHBondContact O-N 2.82Å; S137-A141 PolarHBondContact O-N 3.35Å; S137-A262 WeakPolarHBondContact CB-O 3.32Å; S137-A262 WeakPolarHBondContact O-CB 3.4Å; S137-A262 PolarHBondContact OG-O 3.29Å
138	L	93.3	Very high	87.3	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.3	-41.2	179.1	179.4	59.6	0	0	0	112	Q134 A135 L140 A141 L142 I167 A171 Y255 L258 M259	Q134-L138 VanDerWaalsContact O-CB 3.24Å; Q134-L138 WeakPolarHBondContact O-CB 3.44Å; Q134-L138 PolarHBondContact O-N 3.2Å; A135-L138 PolarHBondContact O-N 2.88Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-L140 PolarHBondContact O-N 2.81Å; L138-A141 PolarHBondContact O-N 2.77Å; L138-A141 VanDerWaalsContact O-N 3.12Å; L138-L142 HydrophobicContact CD1-CD1 4.34Å; L138-L142 HydrophobicContact CD1-CD2 4.45Å; L138-L142 HydrophobicContact CD1-CG 4.09Å; L138-L142 HydrophobicContact CG-CD1 4.05Å; L138-L142 HydrophobicContact CG-CG 4.25Å; L138-L142 WeakPolarHBondContact O-CG 3.32Å; L138-L142 PolarHBondContact O-N 3.02Å; L138-I167 HydrophobicContact CD2-CG2 4.28Å; L138-A171 HydrophobicContact CB-CB 3.84Å; L138-A171 HydrophobicContact CD2-CB 3.87Å; L138-A171 HydrophobicContact CG-CB 3.8Å; L138-Y255 HydrophobicContact CD2-CE2 3.97Å; L138-Y255 VanDerWaalsContact CD2-OH 3.3Å; L138-Y255 WeakPolarHBondContact CD2-OH 3.24Å; L138-L258 HydrophobicContact CD1-CD2 3.46Å; L138-L258 VanDerWaalsContact CD1-CD2 3.46Å; L138-L258 HydrophobicContact CD1-CG 3.92Å; L138-M259 HydrophobicContact CB-SD 3.81Å; L138-M259 HydrophobicContact CD1-SD 4Å; L138-M259 HydrophobicContact CD2-SD 3.91Å; L138-M259 HydrophobicContact CG-SD 4.12Å
139	G	92.4	Very high	85.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-46	-178.9	0	0	0	0	0	111.3	A135 L136 S137 A141 L142 R143	A135-G139 PolarHBondContact O-N 2.9Å; L136-G139 PolarHBondContact O-N 2.8Å; S137-G139 VanDerWaalsContact C-N 3.33Å; S137-G139 PolarHBondContact O-N 3.17Å; G139-A141 VanDerWaalsContact C-N 3.31Å; G139-A141 PolarHBondContact O-N 3.47Å; G139-L142 PolarHBondContact O-N 3.23Å; G139-R143 WeakPolarHBondContact O-CB 3.47Å; G139-R143 PolarHBondContact O-N 2.9Å
140	L	87.7	Confident	84.2	Confident	23 Å²	23	43.5 Å²	43.5	12%	0.12	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-42.2	175.3	-178.4	62.7	0	0	0	111.8	L136 S137 L138 K144 V265	L136-L140 PolarHBondContact O-N 3.42Å; S137-L140 PolarHBondContact O-N 2.82Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-L140 PolarHBondContact O-N 2.81Å; L140-K144 WeakPolarHBondContact O-CG 3.32Å; L140-K144 PolarHBondContact O-N 2.92Å; L140-K144 VanDerWaalsContact O-N 3.12Å; L140-V265 HydrophobicContact CD2-CG1 4.33Å
141	A	88.9	Confident	82.9	Confident	20 Å²	20	45.2 Å²	45.2	17%	0.165	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-39.2	179.3	0	0	0	0	0	112.7	S137 L138 G139 L258 A262	S137-A141 PolarHBondContact O-N 3.35Å; L138-A141 PolarHBondContact O-N 2.77Å; L138-A141 VanDerWaalsContact O-N 3.12Å; G139-A141 VanDerWaalsContact C-N 3.31Å; G139-A141 PolarHBondContact O-N 3.47Å; A141-L258 HydrophobicContact CB-CD1 3.89Å; A141-A262 HydrophobicContact CB-CB 3.87Å
142	L	90.3	Very high	82.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-49.1	174.4	-68.8	175.7	0	0	0	111	L138 G139 K144 F145 E146 I155 A171 M172 I177 I204 I229 L258	L138-L142 HydrophobicContact CD1-CD1 4.34Å; L138-L142 HydrophobicContact CD1-CD2 4.45Å; L138-L142 HydrophobicContact CD1-CG 4.09Å; L138-L142 HydrophobicContact CG-CD1 4.05Å; L138-L142 HydrophobicContact CG-CG 4.25Å; L138-L142 WeakPolarHBondContact O-CG 3.32Å; L138-L142 PolarHBondContact O-N 3.02Å; G139-L142 PolarHBondContact O-N 3.23Å; L142-K144 PolarHBondContact O-N 2.89Å; L142-F145 PolarHBondContact O-N 3.24Å; L142-F145 VanDerWaalsContact O-N 3.15Å; L142-E146 PolarHBondContact O-N 3.06Å; L142-I155 HydrophobicContact CB-CD1 4.18Å; L142-I155 HydrophobicContact CD1-CD1 4.35Å; L142-I155 HydrophobicContact CD2-CD1 4.33Å; L142-A171 HydrophobicContact CD1-CB 4.45Å; L142-M172 HydrophobicContact CD1-CG 3.96Å; L142-I177 HydrophobicContact CB-CD1 4.39Å; L142-I204 HydrophobicContact CD1-CD1 4.44Å; L142-I229 HydrophobicContact CD2-CD1 3.47Å; L142-I229 VanDerWaalsContact CD2-CD1 3.47Å; L142-L258 HydrophobicContact CD2-CD2 4.23Å
143	R	85.6	Confident	81.8	Confident	39 Å²	39	49.3 Å²	49.3	15%	0.147	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-42.1	-179	-171.1	-174	72.1	-171.6	11	113	G139 F145 E146 D270	G139-R143 WeakPolarHBondContact O-CB 3.47Å; G139-R143 PolarHBondContact O-N 2.9Å; R143-F145 PolarHBondContact O-N 2.86Å; R143-E146 PolarHBondContact O-N 3.24Å; R143-D270 IonicContact CZ-OD2 3.65Å; R143-D270 PolarHBondContact NH1-O 3.43Å; R143-D270 IonicContact NH1-OD1 3.49Å; R143-D270 IonicContact NH1-OD2 3.59Å; R143-D270 PolarHBondContact NH1-OD2 2.77Å; R143-D270 IonicContact NH2-OD2 3.58Å; R143-D270 PolarHBondContact NH2-OD2 3.13Å
144	K	80.3	Confident	81.9	Confident	129 Å²	129	43.5 Å²	43.5	56%	0.561	25%	0.25	S	C	*	.	H	α-helix	trans	-60.1	-30.2	179.2	-79.8	-178.7	178.6	-179	0	113	L140 L142	L140-K144 WeakPolarHBondContact O-CG 3.32Å; L140-K144 PolarHBondContact O-N 2.92Å; L140-K144 VanDerWaalsContact O-N 3.12Å; L142-K144 PolarHBondContact O-N 2.89Å
145	F	75.5	Confident	82	Confident	73 Å²	73	41.5 Å²	41.5	32%	0.32	24%	0.24	S	C	.	.	H	α-helix	trans	-83.1	-43.7	178.7	-175.5	-86.6	0	0	0	112.6	L142 R143 N147 R227	L142-F145 PolarHBondContact O-N 3.24Å; L142-F145 VanDerWaalsContact O-N 3.15Å; R143-F145 PolarHBondContact O-N 2.86Å; F145-N147 PolarHBondContact O-N 3.26Å; F145-R227 VanDerWaalsContact CD1-CD 3.41Å; F145-R227 HydrophobicContact CE1-CB 3.66Å; F145-R227 HydrophobicContact CE1-CG 4.11Å; F145-R227 HydrophobicContact CZ-CB 3.76Å; F145-R227 VanDerWaalsContact CZ-CD 3.47Å; F145-R227 HydrophobicContact CZ-CG 4.12Å
146	E	68.4	Low	82.1	Confident	7 Å²	7	41.5 Å²	41.5	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-41.8	-173.1	-73.7	-51.3	125.8	0	0	112.4	L142 R143 T153 I155 T202 R226	L142-E146 PolarHBondContact O-N 3.06Å; R143-E146 PolarHBondContact O-N 3.24Å; E146-T153 WeakPolarHBondContact CB-OG1 3.15Å; E146-T153 PolarHBondContact OE2-OG1 3.25Å; E146-I155 HydrophobicContact CG-CD1 3.88Å; E146-I155 HydrophobicContact CG-CG1 4.21Å; E146-T202 WeakPolarHBondContact OE1-CB 3.45Å; E146-T202 PolarHBondContact OE1-OG1 2.82Å; E146-R226 PolarHBondContact O-NH2 2.97Å
147	N	65.3	Low	82.3	Confident	55 Å²	55	40.3 Å²	40.3	29%	0.294	23%	0.234	S	C	.	.			trans	-168.9	123.6	169.8	-149.1	-31.3	0	0	0	114.9	F145 A149 G150 N151	F145-N147 PolarHBondContact O-N 3.26Å; N147-A149 PolarHBondContact O-N 3.48Å; N147-A149 VanDerWaalsContact OD1-CB 3.25Å; N147-A149 WeakPolarHBondContact OD1-CB 3.3Å; N147-A149 PolarHBondContact OD1-N 3.1Å; N147-G150 PolarHBondContact O-N 3.32Å; N147-N151 WeakPolarHBondContact CB-O 3.34Å
148	P	56.5	Low	82.6	Confident	130 Å²	130	39.8 Å²	39.8	84%	0.844	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.5	164.9	-20.6	31.7	0	0	0	113.9	G150	P148-G150 VanDerWaalsContact C-N 3.3Å; P148-G150 PolarHBondContact O-N 3.04Å
149	A	61.8	Low	82.7	Confident	80 Å²	80	40 Å²	40	66%	0.661	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.5	-177.2	0	0	0	0	0	114.3	N147	N147-A149 PolarHBondContact O-N 3.48Å; N147-A149 VanDerWaalsContact OD1-CB 3.25Å; N147-A149 WeakPolarHBondContact OD1-CB 3.3Å; N147-A149 PolarHBondContact OD1-N 3.1Å
150	G	64.8	Low	82.7	Confident	35 Å²	35	40.7 Å²	40.7	36%	0.361	24%	0.236	S	C	.	.			trans	93	-1.2	172.7	0	0	0	0	0	116.9	N147 P148	N147-G150 PolarHBondContact O-N 3.32Å; P148-G150 VanDerWaalsContact C-N 3.3Å; P148-G150 PolarHBondContact O-N 3.04Å
151	N	69.6	Low	83.1	Confident	115 Å²	115	39.9 Å²	39.9	62%	0.615	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-72.6	131.6	174	-67.8	-17.6	0	0	0	110.9	N147	N147-N151 WeakPolarHBondContact CB-O 3.34Å
152	I	79.8	Confident	83.4	Confident	86 Å²	86	40.9 Å²	40.9	44%	0.441	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-91.8	118.8	179.1	-59.8	178	0	0	0	109.3	S176 I177 P178	I152-S176 WeakPolarHBondContact CG2-O 3.22Å; I152-I177 HydrophobicContact CG2-CB 4.43Å; I152-I177 HydrophobicContact CG2-CG1 4.18Å; I152-P178 VanDerWaalsContact CG2-CD 3.49Å
153	T	88.6	Confident	83.8	Confident	28 Å²	28	41.2 Å²	41.2	17%	0.172	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-103.4	147	175.2	43.9	0	0	0	0	110.7	E146 I177	E146-T153 WeakPolarHBondContact CB-OG1 3.15Å; E146-T153 PolarHBondContact OE2-OG1 3.25Å; T153-I177 WeakPolarHBondContact O-CG2 3.47Å
154	P	95	Very high	84.4	Confident	12 Å²	12	41.8 Å²	41.8	8%	0.078	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-66.5	144.4	173.8	-18.5	31.7	0	0	0	112	P178 V180 L200 I282	P154-P178 VanDerWaalsContact CA-O 3.26Å; P154-P178 WeakPolarHBondContact CA-O 3.45Å; P154-P178 HydrophobicContact CB-CB 4.16Å; P154-P178 HydrophobicContact CG-CB 4.33Å; P154-V180 HydrophobicContact CB-CG2 3.65Å; P154-L200 HydrophobicContact CB-CD2 4.03Å; P154-L200 VanDerWaalsContact O-CD2 3.25Å; P154-L200 WeakPolarHBondContact O-CD2 3.45Å; P154-I282 HydrophobicContact CB-CD1 4.37Å; P154-I282 HydrophobicContact CG-CD1 4.16Å
155	I	97.2	Very high	85.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.6	174	-65.1	-179.6	0	0	0	109.8	L142 E146 M172 I177 P178 V180 T202 I204	L142-I155 HydrophobicContact CB-CD1 4.18Å; L142-I155 HydrophobicContact CD1-CD1 4.35Å; L142-I155 HydrophobicContact CD2-CD1 4.33Å; E146-I155 HydrophobicContact CG-CD1 3.88Å; E146-I155 HydrophobicContact CG-CG1 4.21Å; I155-M172 HydrophobicContact CB-SD 3.57Å; I155-M172 VanDerWaalsContact CB-SD 3.57Å; I155-M172 HydrophobicContact CD1-CG 4.4Å; I155-M172 HydrophobicContact CD1-SD 4.38Å; I155-M172 HydrophobicContact CG1-SD 4.48Å; I155-M172 HydrophobicContact CG2-CE 4.43Å; I155-M172 HydrophobicContact CG2-SD 3.68Å; I155-I177 HydrophobicContact CB-CG2 4.15Å; I155-I177 HydrophobicContact CD1-CD1 4.25Å; I155-I177 HydrophobicContact CD1-CG2 3.91Å; I155-I177 HydrophobicContact CG1-CG2 3.8Å; I155-P178 PolarHBondContact N-O 3.16Å; I155-V180 PolarHBondContact O-N 2.72Å; I155-T202 HydrophobicContact CG2-CG2 4.12Å; I155-I204 HydrophobicContact CG2-CG1 4.42Å
156	G	98	Very high	86.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	142.5	177.1	0	0	0	0	0	112.9	V180 T202 V203 I204	G156-V180 VanDerWaalsContact CA-O 3.26Å; G156-V180 WeakPolarHBondContact CA-O 3.37Å; G156-T202 PolarHBondContact N-O 2.88Å; G156-V203 CarbonylContact O-C 3.57Å; G156-V203 WeakPolarHBondContact O-CA 3.33Å; G156-I204 PolarHBondContact O-N 3.34Å
157	I	98.4	Very high	87.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.9	165.8	-48.9	177.5	0	0	0	109.4	W165 M172 I179 V180 L182 I204	I157-W165 HydrophobicContact CD1-CD2 4.05Å; I157-W165 HydrophobicContact CD1-CE3 4.34Å; I157-W165 HydrophobicContact CD1-CH2 4.28Å; I157-W165 HydrophobicContact CD1-CZ2 4.06Å; I157-W165 HydrophobicContact CD1-CZ3 4.45Å; I157-W165 HydrophobicContact CG2-CD2 4.28Å; I157-W165 HydrophobicContact CG2-CG 3.92Å; I157-W165 VanDerWaalsContact CG2-NE1 3.34Å; I157-M172 HydrophobicContact CD1-CE 3.39Å; I157-M172 HydrophobicContact CG1-CE 3.64Å; I157-I179 HydrophobicContact CD1-CG2 3.76Å; I157-I179 HydrophobicContact CG1-CG2 4.03Å; I157-V180 PolarHBondContact N-O 3.35Å; I157-L182 PolarHBondContact O-N 2.96Å; I157-I204 WeakPolarHBondContact CA-O 3.27Å
158	Y	97.2	Very high	89.3	Confident	3 Å²	3	30.1 Å²	30.1	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	74.3	178.1	-169	-154.8	0	0	0	111	L182 Y183 L191 I204 E206 K210 L214	Y158-L182 HydrophobicContact CD2-CB 3.81Å; Y158-L182 HydrophobicContact CG-CB 4.15Å; Y158-L182 HydrophobicContact CG-CD1 4.39Å; Y158-Y183 WeakPolarHBondContact CE2-O 3.36Å; Y158-L191 HydrophobicContact CE1-CD1 3.97Å; Y158-I204 PolarHBondContact N-O 3.36Å; Y158-E206 PolarHBondContact O-N 2.87Å; Y158-E206 VanDerWaalsContact O-N 3.07Å; Y158-K210 HydrophobicContact CD1-CB 3.75Å; Y158-K210 HydrophobicContact CD1-CD 3.89Å; Y158-K210 HydrophobicContact CD1-CG 4.05Å; Y158-K210 HydrophobicContact CD2-CD 4.11Å; Y158-K210 HydrophobicContact CE1-CB 3.53Å; Y158-K210 HydrophobicContact CE1-CD 3.82Å; Y158-K210 HydrophobicContact CE1-CG 3.58Å; Y158-K210 HydrophobicContact CE2-CD 4.06Å; Y158-K210 HydrophobicContact CE2-CG 4.47Å; Y158-K210 HydrophobicContact CG-CD 4.01Å; Y158-K210 WeakPolarHBondContact O-CD 3.46Å; Y158-L214 HydrophobicContact CD1-CD1 4.26Å; Y158-L214 HydrophobicContact CD1-CD2 4.38Å; Y158-L214 HydrophobicContact CD1-CG 4.26Å
159	S	95.4	Very high	91.2	Very high	5 Å²	5	24.4 Å²	24.4	4%	0.035	15%	0.148	C	C	.	.			trans	-149.3	146.6	-175.3	177.9	0	0	0	0	112	R162	S159-R162 VanDerWaalsContact OG-CD 3.26Å; S159-R162 WeakPolarHBondContact OG-CD 3.38Å
160	S	92.5	Very high	93	Very high	14 Å²	14	20.9 Å²	20.9	10%	0.098	12%	0.118	C	C	.	.			trans	-64.7	168	164	61.3	0	0	0	0	110.8	R162 D184 E206	S160-R162 PolarHBondContact O-N 2.85Å; S160-D184 WeakPolarHBondContact CB-OD2 3.22Å; S160-E206 VanDerWaalsContact CB-OE2 3.3Å; S160-E206 WeakPolarHBondContact CB-OE2 3.4Å; S160-E206 PolarHBondContact N-OE2 3.26Å; S160-E206 VanDerWaalsContact OG-CD 3.31Å; S160-E206 PolarHBondContact OG-OE2 2.92Å
161	N	95.3	Very high	94.4	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.032	10%	0.101	C	C	.	.	S	Bend	trans	-67.5	118.7	-174.2	-54.6	24.2	0	0	0	111.4	S328 Y329 L330 P331 M332 F353 Y354	N161-S328 PolarHBondContact ND2-OG 3.48Å; N161-Y329 PolarHBondContact ND2-N 3.5Å; N161-L330 PolarHBondContact ND2-O 2.85Å; N161-L330 PolarHBondContact OD1-O 3.49Å; N161-P331 WeakPolarHBondContact OD1-CA 3.4Å; N161-M332 HydrophobicContact CB-CG 3.85Å; N161-M332 HydrophobicContact CB-SD 4.22Å; N161-M332 WeakPolarHBondContact OD1-CG 3.44Å; N161-M332 PolarHBondContact OD1-N 3.31Å; N161-F353 VanDerWaalsContact C-CD1 3.47Å; N161-F353 HydrophobicContact CB-CD1 3.71Å; N161-F353 HydrophobicContact CB-CE1 4.1Å; N161-Y354 HydrophobicContact CB-CD1 4.3Å; N161-Y354 HydrophobicContact CB-CE1 3.91Å
162	R	96.4	Very high	95.7	Very high	41 Å²	41	13.8 Å²	13.8	16%	0.155	7%	0.071	C	C	.	.			trans	-159.5	164.1	179.7	63.7	-166.1	-54.4	170.2	-4.4	111.8	S159 S160 E164 W165 F166 D232 F353	S159-R162 VanDerWaalsContact OG-CD 3.26Å; S159-R162 WeakPolarHBondContact OG-CD 3.38Å; S160-R162 PolarHBondContact O-N 2.85Å; R162-E164 VanDerWaalsContact C-N 3.27Å; R162-E164 WeakPolarHBondContact CB-OE2 3.37Å; R162-E164 HydrophobicContact CG-CB 4.32Å; R162-E164 VanDerWaalsContact CG-OE2 3.23Å; R162-E164 WeakPolarHBondContact CG-OE2 3.17Å; R162-E164 IonicContact CZ-OE1 3.47Å; R162-E164 IonicContact CZ-OE2 3.07Å; R162-E164 IonicContact NE-OE1 2.91Å; R162-E164 IonicContact NE-OE2 3.99Å; R162-E164 PolarHBondContact NE-OE2 3.2Å; R162-E164 IonicContact NH2-OE1 3.94Å; R162-E164 PolarHBondContact NH2-OE1 3.09Å; R162-E164 PolarHBondContact O-N 2.88Å; R162-W165 HydrophobicContact CG-CB 4.19Å; R162-W165 VanDerWaalsContact O-CB 3.31Å; R162-W165 WeakPolarHBondContact O-CB 3.48Å; R162-W165 PolarHBondContact O-N 2.91Å; R162-W165 VanDerWaalsContact O-N 3.13Å; R162-F166 PolarHBondContact O-N 2.98Å; R162-D232 IonicContact CZ-OD1 2.68Å; R162-D232 IonicContact CZ-OD2 2.75Å; R162-D232 IonicContact NH1-OD1 3.49Å; R162-D232 PolarHBondContact NH1-OD1 3.18Å; R162-D232 IonicContact NH1-OD2 2.62Å; R162-D232 PolarHBondContact NH1-OD2 3.49Å; R162-D232 IonicContact NH2-OD1 3.07Å; R162-D232 PolarHBondContact NH2-OD1 3.01Å; R162-D232 IonicContact NH2-OD2 3.6Å; R162-D232 PolarHBondContact NH2-OD2 3.41Å; R162-F353 WeakPolarHBondContact O-CZ 3.41Å
163	P	97.9	Very high	96.5	Very high	8 Å²	8	9.7 Å²	9.7	5%	0.052	5%	0.051	C	C	.	.	H	α-helix	trans	-55.4	-39.8	179.3	-26.1	34.7	0	0	0	114	L113 Y115 I126 W165 F166 I167 F353	L113-P163 HydrophobicContact CB-CB 4.39Å; L113-P163 HydrophobicContact CD1-CB 4.12Å; Y115-P163 HydrophobicContact CD1-CG 3.95Å; Y115-P163 HydrophobicContact CG-CG 4.14Å; I126-P163 HydrophobicContact CD1-CB 3.92Å; I126-P163 HydrophobicContact CD1-CG 4.5Å; P163-W165 VanDerWaalsContact C-N 3.26Å; P163-W165 PolarHBondContact O-N 2.95Å; P163-F166 WeakPolarHBondContact O-CB 3.33Å; P163-F166 PolarHBondContact O-N 3.06Å; P163-F166 VanDerWaalsContact O-N 3.08Å; P163-I167 HydrophobicContact CB-CD1 4.4Å; P163-I167 WeakPolarHBondContact O-CD1 3.13Å; P163-I167 WeakPolarHBondContact O-CG1 3.16Å; P163-I167 PolarHBondContact O-N 3.06Å; P163-F353 HydrophobicContact CB-CE2 4.32Å; P163-F353 HydrophobicContact CG-CD2 3.78Å; P163-F353 HydrophobicContact CG-CE2 4Å
164	E	97.9	Very high	96.8	Very high	50 Å²	50	8.4 Å²	8.4	23%	0.234	4%	0.043	C	C	.	.	H	α-helix	trans	-61.8	-35.6	-179.5	-57.4	92	150.8	0	0	111.7	R162 S168 I231 Y255	R162-E164 VanDerWaalsContact C-N 3.27Å; R162-E164 WeakPolarHBondContact CB-OE2 3.37Å; R162-E164 HydrophobicContact CG-CB 4.32Å; R162-E164 VanDerWaalsContact CG-OE2 3.23Å; R162-E164 WeakPolarHBondContact CG-OE2 3.17Å; R162-E164 IonicContact CZ-OE1 3.47Å; R162-E164 IonicContact CZ-OE2 3.07Å; R162-E164 IonicContact NE-OE1 2.91Å; R162-E164 IonicContact NE-OE2 3.99Å; R162-E164 PolarHBondContact NE-OE2 3.2Å; R162-E164 IonicContact NH2-OE1 3.94Å; R162-E164 PolarHBondContact NH2-OE1 3.09Å; R162-E164 PolarHBondContact O-N 2.88Å; E164-S168 VanDerWaalsContact O-CB 3.23Å; E164-S168 WeakPolarHBondContact O-CB 3.22Å; E164-S168 PolarHBondContact O-N 3.13Å; E164-S168 PolarHBondContact O-OG 3.06Å; E164-I231 HydrophobicContact CB-CD1 4.03Å; E164-I231 HydrophobicContact CB-CG1 4.41Å; E164-I231 HydrophobicContact CB-CG2 4.11Å; E164-I231 HydrophobicContact CG-CG2 3.87Å; E164-Y255 HydrophobicContact CB-CE1 4.09Å; E164-Y255 HydrophobicContact CG-CD1 4.39Å; E164-Y255 HydrophobicContact CG-CE1 4Å; E164-Y255 PolarHBondContact O-OH 2.88Å
165	W	97.8	Very high	96.7	Very high	1 Å²	1	7.9 Å²	7.9	0%	0.004	4%	0.039	C	C	.	.	H	α-helix	trans	-60.5	-50.6	172.8	-165.4	117.3	0	0	0	110.2	I157 R162 P163 S168 S169 P181 M332	I157-W165 HydrophobicContact CD1-CD2 4.05Å; I157-W165 HydrophobicContact CD1-CE3 4.34Å; I157-W165 HydrophobicContact CD1-CH2 4.28Å; I157-W165 HydrophobicContact CD1-CZ2 4.06Å; I157-W165 HydrophobicContact CD1-CZ3 4.45Å; I157-W165 HydrophobicContact CG2-CD2 4.28Å; I157-W165 HydrophobicContact CG2-CG 3.92Å; I157-W165 VanDerWaalsContact CG2-NE1 3.34Å; R162-W165 HydrophobicContact CG-CB 4.19Å; R162-W165 VanDerWaalsContact O-CB 3.31Å; R162-W165 WeakPolarHBondContact O-CB 3.48Å; R162-W165 PolarHBondContact O-N 2.91Å; R162-W165 VanDerWaalsContact O-N 3.13Å; P163-W165 VanDerWaalsContact C-N 3.26Å; P163-W165 PolarHBondContact O-N 2.95Å; W165-S168 PolarHBondContact O-N 2.99Å; W165-S169 WeakPolarHBondContact O-CB 3.47Å; W165-S169 PolarHBondContact O-N 3.05Å; W165-P181 HydrophobicContact CZ2-CB 3.84Å; W165-M332 HydrophobicContact CB-SD 3.81Å; W165-M332 HydrophobicContact CD2-CB 3.74Å; W165-M332 HydrophobicContact CD2-CE 3.64Å; W165-M332 HydrophobicContact CD2-CG 4.08Å; W165-M332 HydrophobicContact CD2-SD 3.34Å; W165-M332 HydrophobicContact CE3-CB 4.14Å; W165-M332 HydrophobicContact CE3-CE 2.98Å; W165-M332 HydrophobicContact CE3-CG 4.36Å; W165-M332 HydrophobicContact CE3-SD 3.37Å; W165-M332 HydrophobicContact CG-CB 4.29Å; W165-M332 HydrophobicContact CG-CE 4.41Å; W165-M332 HydrophobicContact CG-CG 4.35Å; W165-M332 HydrophobicContact CG-SD 3.52Å; W165-M332 VanDerWaalsContact CG-SD 3.52Å; W165-M332 HydrophobicContact CH2-CB 4.02Å; W165-M332 HydrophobicContact CH2-CE 4.05Å; W165-M332 HydrophobicContact CZ2-CB 3.5Å; W165-M332 HydrophobicContact CZ2-CE 4.5Å; W165-M332 HydrophobicContact CZ3-CB 4.28Å; W165-M332 HydrophobicContact CZ3-CE 3.24Å; W165-M332 HydrophobicContact CZ3-SD 4.16Å
166	F	98.4	Very high	96.6	Very high	14 Å²	14	8.5 Å²	8.5	6%	0.061	4%	0.044	C	C	.	.	H	α-helix	trans	-62.8	-47.9	-178.2	-170.7	-79	0	0	0	112.1	F100 L113 V131 R162 P163 S168 S169 L170 V345 I351 F353	F100-F166 HydrophobicContact CD2-CE1 4Å; F100-F166 HydrophobicContact CD2-CZ 4.11Å; F100-F166 AromaticContact CE2-CE1 3.84Å; F100-F166 HydrophobicContact CE2-CE1 3.84Å; F100-F166 HydrophobicContact CE2-CZ 4.3Å; L113-F166 HydrophobicContact CD1-CB 3.87Å; L113-F166 HydrophobicContact CD1-CD1 3.74Å; L113-F166 HydrophobicContact CD1-CG 3.97Å; L113-F166 HydrophobicContact CD2-CB 4.25Å; L113-F166 HydrophobicContact CD2-CD1 3.88Å; L113-F166 HydrophobicContact CD2-CD2 4.14Å; L113-F166 HydrophobicContact CD2-CE1 4.36Å; L113-F166 HydrophobicContact CD2-CG 3.79Å; L113-F166 HydrophobicContact CG-CD1 4.34Å; V131-F166 HydrophobicContact CG1-CD1 4.27Å; V131-F166 HydrophobicContact CG1-CE1 4.3Å; R162-F166 PolarHBondContact O-N 2.98Å; P163-F166 WeakPolarHBondContact O-CB 3.33Å; P163-F166 PolarHBondContact O-N 3.06Å; P163-F166 VanDerWaalsContact O-N 3.08Å; F166-S168 VanDerWaalsContact C-N 3.29Å; F166-S168 PolarHBondContact O-N 3.39Å; F166-S169 PolarHBondContact O-N 3.34Å; F166-L170 HydrophobicContact CE1-CB 4.38Å; F166-L170 HydrophobicContact CE1-CD2 4.37Å; F166-L170 PolarHBondContact O-N 3.16Å; F166-V345 HydrophobicContact CE2-CG1 3.96Å; F166-V345 HydrophobicContact CZ-CG1 3.56Å; F166-I351 HydrophobicContact CD2-CD1 4.27Å; F166-I351 HydrophobicContact CE2-CD1 3.86Å; F166-F353 HydrophobicContact CB-CZ 4.09Å
167	I	98.3	Very high	96.5	Very high	4 Å²	4	8.9 Å²	8.9	2%	0.021	5%	0.045	C	C	.	.	H	α-helix	trans	-60.2	-43.4	179.4	-68.8	157.4	0	0	0	110	L113 I126 V131 Q134 A135 L138 P163 L170 A171	L113-I167 HydrophobicContact CD1-CD1 4.32Å; L113-I167 HydrophobicContact CD1-CG1 4Å; I126-I167 HydrophobicContact CD1-CD1 4.35Å; V131-I167 HydrophobicContact CG1-CG1 4.27Å; Q134-I167 HydrophobicContact CB-CG2 3.9Å; Q134-I167 VanDerWaalsContact OE1-CD1 3.24Å; A135-I167 HydrophobicContact CB-CG2 4.35Å; L138-I167 HydrophobicContact CD2-CG2 4.28Å; P163-I167 HydrophobicContact CB-CD1 4.4Å; P163-I167 WeakPolarHBondContact O-CD1 3.13Å; P163-I167 WeakPolarHBondContact O-CG1 3.16Å; P163-I167 PolarHBondContact O-N 3.06Å; I167-L170 PolarHBondContact O-N 3.39Å; I167-A171 VanDerWaalsContact O-CB 3.26Å; I167-A171 WeakPolarHBondContact O-CB 3.27Å; I167-A171 PolarHBondContact O-N 2.73Å
168	S	98.1	Very high	96.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.5	-45.3	175.2	-60.5	0	0	0	0	112.3	E164 W165 F166 L170 A171 M172 Y255	E164-S168 VanDerWaalsContact O-CB 3.23Å; E164-S168 WeakPolarHBondContact O-CB 3.22Å; E164-S168 PolarHBondContact O-N 3.13Å; E164-S168 PolarHBondContact O-OG 3.06Å; W165-S168 PolarHBondContact O-N 2.99Å; F166-S168 VanDerWaalsContact C-N 3.29Å; F166-S168 PolarHBondContact O-N 3.39Å; S168-L170 PolarHBondContact O-N 3.4Å; S168-A171 WeakPolarHBondContact O-CB 3.21Å; S168-A171 PolarHBondContact O-N 3.35Å; S168-M172 WeakPolarHBondContact O-CE 3.06Å; S168-M172 PolarHBondContact O-N 3.18Å; S168-Y255 VanDerWaalsContact OG-CE2 3.28Å; S168-Y255 WeakPolarHBondContact OG-CE2 3.43Å; S168-Y255 PolarHBondContact OG-OH 2.98Å
169	S	97.9	Very high	96.4	Very high	10 Å²	10	9.4 Å²	9.4	7%	0.07	5%	0.049	C	C	.	.	H	α-helix	trans	-61.8	-43.2	177.2	165.3	0	0	0	0	112.1	W165 F166 A171 M172 T173 I179	W165-S169 WeakPolarHBondContact O-CB 3.47Å; W165-S169 PolarHBondContact O-N 3.05Å; F166-S169 PolarHBondContact O-N 3.34Å; S169-A171 VanDerWaalsContact C-N 3.33Å; S169-M172 PolarHBondContact O-N 2.72Å; S169-T173 VanDerWaalsContact O-CB 3.27Å; S169-T173 WeakPolarHBondContact O-CB 3.33Å; S169-T173 PolarHBondContact O-N 2.84Å; S169-T173 PolarHBondContact O-OG1 3.06Å; S169-I179 WeakPolarHBondContact OG-CD1 3.39Å
170	L	97.9	Very high	96.6	Very high	7 Å²	7	9.2 Å²	9.2	4%	0.037	5%	0.048	C	C	.	.	H	α-helix	trans	-66.7	-37.4	175.6	-176.4	62	0	0	0	111.6	Y97 F100 V131 A135 F166 I167 S168 T173 S174	Y97-L170 HydrophobicContact CD2-CD1 4.05Å; F100-L170 HydrophobicContact CB-CD1 3.86Å; F100-L170 HydrophobicContact CD1-CD1 4.14Å; F100-L170 HydrophobicContact CD1-CD2 3.66Å; F100-L170 HydrophobicContact CD2-CD1 4.28Å; F100-L170 HydrophobicContact CD2-CD2 3.78Å; F100-L170 HydrophobicContact CE1-CD2 3.6Å; F100-L170 HydrophobicContact CE2-CD2 3.7Å; F100-L170 HydrophobicContact CG-CD1 3.82Å; F100-L170 HydrophobicContact CG-CD2 3.76Å; F100-L170 HydrophobicContact CG-CG 4.47Å; F100-L170 HydrophobicContact CZ-CD2 3.61Å; V131-L170 HydrophobicContact CG1-CD2 4.05Å; A135-L170 HydrophobicContact CB-CB 3.84Å; A135-L170 HydrophobicContact CB-CD2 3.66Å; A135-L170 HydrophobicContact CB-CG 3.67Å; F166-L170 HydrophobicContact CE1-CB 4.38Å; F166-L170 HydrophobicContact CE1-CD2 4.37Å; F166-L170 PolarHBondContact O-N 3.16Å; I167-L170 PolarHBondContact O-N 3.39Å; S168-L170 PolarHBondContact O-N 3.4Å; L170-T173 PolarHBondContact O-N 3.28Å; L170-S174 WeakPolarHBondContact O-CB 3.4Å; L170-S174 PolarHBondContact O-N 2.85Å
171	A	96.2	Very high	96.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-58.7	-50.7	175.5	0	0	0	0	0	111.4	A135 L138 L142 I167 S168 S169 S174	A135-A171 HydrophobicContact CB-CB 4.37Å; A135-A171 VanDerWaalsContact O-CA 3.23Å; A135-A171 WeakPolarHBondContact O-CA 3.21Å; A135-A171 WeakPolarHBondContact O-CB 3.25Å; L138-A171 HydrophobicContact CB-CB 3.84Å; L138-A171 HydrophobicContact CD2-CB 3.87Å; L138-A171 HydrophobicContact CG-CB 3.8Å; L142-A171 HydrophobicContact CD1-CB 4.45Å; I167-A171 VanDerWaalsContact O-CB 3.26Å; I167-A171 WeakPolarHBondContact O-CB 3.27Å; I167-A171 PolarHBondContact O-N 2.73Å; S168-A171 WeakPolarHBondContact O-CB 3.21Å; S168-A171 PolarHBondContact O-N 3.35Å; S169-A171 VanDerWaalsContact C-N 3.33Å; A171-S174 PolarHBondContact O-N 3.32Å; A171-S174 PolarHBondContact O-OG 2.93Å
172	M	96.3	Very high	96.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-61.6	-45.2	175.4	-75.2	175.7	-93.5	0	0	112	L142 I155 I157 S168 S169 S174 Q175 S176 I177 I179 I204	L142-M172 HydrophobicContact CD1-CG 3.96Å; I155-M172 HydrophobicContact CB-SD 3.57Å; I155-M172 VanDerWaalsContact CB-SD 3.57Å; I155-M172 HydrophobicContact CD1-CG 4.4Å; I155-M172 HydrophobicContact CD1-SD 4.38Å; I155-M172 HydrophobicContact CG1-SD 4.48Å; I155-M172 HydrophobicContact CG2-CE 4.43Å; I155-M172 HydrophobicContact CG2-SD 3.68Å; I157-M172 HydrophobicContact CD1-CE 3.39Å; I157-M172 HydrophobicContact CG1-CE 3.64Å; S168-M172 WeakPolarHBondContact O-CE 3.06Å; S168-M172 PolarHBondContact O-N 3.18Å; S169-M172 PolarHBondContact O-N 2.72Å; M172-S174 VanDerWaalsContact C-N 3.3Å; M172-S174 PolarHBondContact O-N 3.42Å; M172-Q175 CarbonylContact O-C 3.53Å; M172-Q175 PolarHBondContact O-N 3.35Å; M172-S176 PolarHBondContact O-N 2.98Å; M172-I177 HydrophobicContact CB-CB 3.88Å; M172-I177 HydrophobicContact CB-CG2 4.12Å; M172-I177 HydrophobicContact CG-CB 4.1Å; M172-I177 HydrophobicContact CG-CG2 3.9Å; M172-I177 PolarHBondContact O-N 3.39Å; M172-I177 HydrophobicContact SD-CG2 4.31Å; M172-I179 HydrophobicContact CB-CD1 4.24Å; M172-I179 HydrophobicContact CB-CG1 3.88Å; M172-I179 HydrophobicContact CE-CG1 4.48Å; M172-I179 HydrophobicContact SD-CG1 3.93Å; M172-I179 HydrophobicContact SD-CG2 4.47Å; M172-I204 HydrophobicContact CE-CD1 3.95Å
173	T	96.3	Very high	96.2	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.006	4%	0.039	C	C	.	.	H	α-helix	trans	-59.4	-38.8	177.8	-64.7	0	0	0	0	112	V96 S169 L170 Q175 S176 P274	V96-T173 HydrophobicContact CB-CG2 4.25Å; V96-T173 HydrophobicContact CG1-CG2 4.48Å; S169-T173 VanDerWaalsContact O-CB 3.27Å; S169-T173 WeakPolarHBondContact O-CB 3.33Å; S169-T173 PolarHBondContact O-N 2.84Å; S169-T173 PolarHBondContact O-OG1 3.06Å; L170-T173 PolarHBondContact O-N 3.28Å; T173-Q175 PolarHBondContact O-N 2.9Å; T173-Q175 VanDerWaalsContact O-N 3.16Å; T173-S176 PolarHBondContact O-N 3.44Å; T173-P274 VanDerWaalsContact O-CD 3.29Å; T173-P274 WeakPolarHBondContact O-CD 3.46Å
174	S	94.6	Very high	95.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.7	177	76	0	0	0	0	114.4	L170 A171 M172 R272	L170-S174 WeakPolarHBondContact O-CB 3.4Å; L170-S174 PolarHBondContact O-N 2.85Å; A171-S174 PolarHBondContact O-N 3.32Å; A171-S174 PolarHBondContact O-OG 2.93Å; M172-S174 VanDerWaalsContact C-N 3.3Å; M172-S174 PolarHBondContact O-N 3.42Å; S174-R272 CarbonylContact O-C 3.44Å; S174-R272 PolarHBondContact O-N 2.88Å; S174-R272 VanDerWaalsContact O-N 3.14Å
175	Q	93.5	Very high	93.9	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.009	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	13.3	-176.7	-60	-63.4	-23.1	0	0	112.5	M172 T173 I177 D270 R272	M172-Q175 CarbonylContact O-C 3.53Å; M172-Q175 PolarHBondContact O-N 3.35Å; T173-Q175 PolarHBondContact O-N 2.9Å; T173-Q175 VanDerWaalsContact O-N 3.16Å; Q175-I177 HydrophobicContact CB-CD1 3.96Å; Q175-I177 HydrophobicContact CB-CG1 4.05Å; Q175-I177 PolarHBondContact O-N 3.39Å; Q175-D270 PolarHBondContact NE2-O 3.27Å; Q175-R272 CarbonylContact C-O 3.49Å; Q175-R272 VanDerWaalsContact C-O 3.24Å; Q175-R272 WeakPolarHBondContact CA-O 3.44Å
176	S	94.4	Very high	92.7	Very high	13 Å²	13	9.5 Å²	9.5	9%	0.091	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	20.7	-178.6	-58.1	0	0	0	0	114.9	I152 M172 T173 P178 R272 P273 P274	I152-S176 WeakPolarHBondContact CG2-O 3.22Å; M172-S176 PolarHBondContact O-N 2.98Å; T173-S176 PolarHBondContact O-N 3.44Å; S176-P178 WeakPolarHBondContact O-CD 3.48Å; S176-R272 PolarHBondContact N-O 3.49Å; S176-R272 PolarHBondContact OG-O 2.88Å; S176-P273 VanDerWaalsContact OG-C 3.31Å; S176-P273 PolarHBondContact OG-O 3.32Å; S176-P274 WeakPolarHBondContact OG-CA 3.26Å
177	I	95.4	Very high	91.5	Very high	7 Å²	7	10.6 Å²	10.6	4%	0.036	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-80.9	120.8	-178.9	-64	171.2	0	0	0	109.5	L142 I152 T153 I155 M172 Q175	L142-I177 HydrophobicContact CB-CD1 4.39Å; I152-I177 HydrophobicContact CG2-CB 4.43Å; I152-I177 HydrophobicContact CG2-CG1 4.18Å; T153-I177 WeakPolarHBondContact O-CG2 3.47Å; I155-I177 HydrophobicContact CB-CG2 4.15Å; I155-I177 HydrophobicContact CD1-CD1 4.25Å; I155-I177 HydrophobicContact CD1-CG2 3.91Å; I155-I177 HydrophobicContact CG1-CG2 3.8Å; M172-I177 HydrophobicContact CB-CB 3.88Å; M172-I177 HydrophobicContact CB-CG2 4.12Å; M172-I177 HydrophobicContact CG-CB 4.1Å; M172-I177 HydrophobicContact CG-CG2 3.9Å; M172-I177 PolarHBondContact O-N 3.39Å; M172-I177 HydrophobicContact SD-CG2 4.31Å; Q175-I177 HydrophobicContact CB-CD1 3.96Å; Q175-I177 HydrophobicContact CB-CG1 4.05Å; Q175-I177 PolarHBondContact O-N 3.39Å
178	P	96.4	Very high	90.7	Very high	15 Å²	15	13.2 Å²	13.2	10%	0.097	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-63	135.8	174.3	-22.4	34	0	0	0	111.6	I152 P154 I155 S176 I279	I152-P178 VanDerWaalsContact CG2-CD 3.49Å; P154-P178 VanDerWaalsContact CA-O 3.26Å; P154-P178 WeakPolarHBondContact CA-O 3.45Å; P154-P178 HydrophobicContact CB-CB 4.16Å; P154-P178 HydrophobicContact CG-CB 4.33Å; I155-P178 PolarHBondContact N-O 3.16Å; S176-P178 WeakPolarHBondContact O-CD 3.48Å; P178-I279 HydrophobicContact CB-CB 4.3Å; P178-I279 HydrophobicContact CB-CG2 3.99Å; P178-I279 HydrophobicContact CG-CB 4.21Å; P178-I279 HydrophobicContact CG-CG2 4.45Å
179	I	98.4	Very high	90	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.8	-178.4	-51.7	165.9	0	0	0	109.1	I157 S169 M172 P181 H280 L281 I282	I157-I179 HydrophobicContact CD1-CG2 3.76Å; I157-I179 HydrophobicContact CG1-CG2 4.03Å; S169-I179 WeakPolarHBondContact OG-CD1 3.39Å; M172-I179 HydrophobicContact CB-CD1 4.24Å; M172-I179 HydrophobicContact CB-CG1 3.88Å; M172-I179 HydrophobicContact CE-CG1 4.48Å; M172-I179 HydrophobicContact SD-CG1 3.93Å; M172-I179 HydrophobicContact SD-CG2 4.47Å; I179-P181 VanDerWaalsContact O-CD 3.27Å; I179-P181 WeakPolarHBondContact O-CD 3.27Å; I179-H280 PolarHBondContact N-O 3.05Å; I179-L281 HydrophobicContact CB-CD2 3.83Å; I179-L281 HydrophobicContact CD1-CD2 4.08Å; I179-L281 HydrophobicContact CG1-CD2 4.46Å; I179-L281 HydrophobicContact CG2-CD2 4.35Å; I179-L281 CarbonylContact O-C 3.53Å; I179-L281 WeakPolarHBondContact O-CA 3.3Å; I179-I282 PolarHBondContact O-N 3.21Å
180	V	98.2	Very high	89.2	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	92.1	172.2	-171.9	0	0	0	0	109	P154 I155 G156 I157 L182 I194 A198 L200 I282 Y284	P154-V180 HydrophobicContact CB-CG2 3.65Å; I155-V180 PolarHBondContact O-N 2.72Å; G156-V180 VanDerWaalsContact CA-O 3.26Å; G156-V180 WeakPolarHBondContact CA-O 3.37Å; I157-V180 PolarHBondContact N-O 3.35Å; V180-L182 HydrophobicContact CG1-CD2 4.13Å; V180-L182 PolarHBondContact O-N 3.3Å; V180-I194 HydrophobicContact CG1-CG2 3.96Å; V180-A198 HydrophobicContact CG1-CB 4.41Å; V180-A198 HydrophobicContact CG2-CB 4.11Å; V180-L200 HydrophobicContact CB-CD1 4.1Å; V180-L200 HydrophobicContact CB-CD2 4.09Å; V180-L200 HydrophobicContact CG1-CD1 4.08Å; V180-L200 HydrophobicContact CG2-CD2 3.77Å; V180-I282 HydrophobicContact CG2-CB 4.17Å; V180-I282 HydrophobicContact CG2-CD1 4.14Å; V180-Y284 HydrophobicContact CG1-CD2 3.91Å; V180-Y284 HydrophobicContact CG1-CE2 3.68Å
181	P	97.6	Very high	88.8	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.9	-178.1	36.5	-38.6	0	0	0	110.3	W165 I179 A333	W165-P181 HydrophobicContact CZ2-CB 3.84Å; I179-P181 VanDerWaalsContact O-CD 3.27Å; I179-P181 WeakPolarHBondContact O-CD 3.27Å; P181-A333 HydrophobicContact CB-CB 3.84Å; P181-A333 HydrophobicContact CG-CB 4.28Å
182	L	94.3	Very high	88.6	Confident	3 Å²	3	21.8 Å²	21.8	2%	0.016	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-102.3	125.7	-175.6	-58.6	175.3	0	0	0	109.4	I157 Y158 V180 L191 I194 V203	I157-L182 PolarHBondContact O-N 2.96Å; Y158-L182 HydrophobicContact CD2-CB 3.81Å; Y158-L182 HydrophobicContact CG-CB 4.15Å; Y158-L182 HydrophobicContact CG-CD1 4.39Å; V180-L182 HydrophobicContact CG1-CD2 4.13Å; V180-L182 PolarHBondContact O-N 3.3Å; L182-L191 HydrophobicContact CB-CD2 4.28Å; L182-L191 HydrophobicContact CD1-CD2 4.27Å; L182-L191 HydrophobicContact CD2-CD2 4.34Å; L182-I194 HydrophobicContact CD2-CB 4.32Å; L182-I194 HydrophobicContact CD2-CD1 4.34Å; L182-I194 HydrophobicContact CD2-CG2 3.47Å; L182-I194 VanDerWaalsContact CD2-CG2 3.47Å; L182-V203 HydrophobicContact CD1-CG1 4.35Å
183	Y	84.4	Confident	88.3	Confident	18 Å²	18	24.6 Å²	24.6	7%	0.071	15%	0.148	C	C	.	.	P	Polyproline II helix	trans	-68.6	137.2	175.7	-73.9	-83.2	0	0	0	111.2	Y158 T185 F186 Y284 P331 A333 H334 P693	Y158-Y183 WeakPolarHBondContact CE2-O 3.36Å; Y183-T185 PolarHBondContact O-N 3.29Å; Y183-F186 HydrophobicContact CD2-CD2 4.39Å; Y183-F186 HydrophobicContact CD2-CE1 4.11Å; Y183-F186 AromaticContact CD2-CE2 3.61Å; Y183-F186 HydrophobicContact CD2-CE2 3.61Å; Y183-F186 AromaticContact CD2-CZ 3.46Å; Y183-F186 HydrophobicContact CD2-CZ 3.46Å; Y183-F186 VanDerWaalsContact CD2-CZ 3.46Å; Y183-F186 HydrophobicContact CE2-CZ 4.25Å; Y183-F186 HydrophobicContact CG-CE2 4.28Å; Y183-F186 HydrophobicContact CG-CZ 4.3Å; Y183-F186 PolarHBondContact O-N 3.03Å; Y183-F186 VanDerWaalsContact O-N 3.09Å; Y183-Y284 WeakPolarHBondContact CE2-O 3.23Å; Y183-P331 HydrophobicContact CD1-CB 4.02Å; Y183-P331 HydrophobicContact CE1-CB 4.02Å; Y183-A333 HydrophobicContact CD1-CB 3.7Å; Y183-A333 HydrophobicContact CD2-CB 3.83Å; Y183-A333 HydrophobicContact CE1-CB 3.8Å; Y183-A333 HydrophobicContact CE2-CB 3.92Å; Y183-A333 HydrophobicContact CG-CB 3.75Å; Y183-A333 PolarHBondContact OH-O 3.16Å; Y183-H334 HydrophobicContact CE1-CB 4.07Å; Y183-H334 VanDerWaalsContact OH-CA 3.26Å; Y183-H334 WeakPolarHBondContact OH-CA 3.3Å; Y183-H334 PolarHBondContact OH-CD2 3.19Å; Y183-P693 HydrophobicContact CD1-CB 3.47Å; Y183-P693 VanDerWaalsContact CD1-CB 3.47Å; Y183-P693 HydrophobicContact CD1-CG 3.18Å; Y183-P693 HydrophobicContact CE1-CB 3.57Å; Y183-P693 HydrophobicContact CE1-CG 3.48Å; Y183-P693 VanDerWaalsContact CE1-CG 3.48Å; Y183-P693 HydrophobicContact CG-CB 4.47Å; Y183-P693 HydrophobicContact CG-CG 3.75Å
184	D	77.4	Confident	88.1	Confident	58 Å²	58	24.5 Å²	24.5	31%	0.31	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-27.1	171.2	-67.3	-23.5	0	0	0	113.5	S160 K210	S160-D184 WeakPolarHBondContact CB-OD2 3.22Å; D184-K210 VanDerWaalsContact OD1-CE 3.32Å; D184-K210 WeakPolarHBondContact OD1-CE 3.07Å; D184-K210 IonicContact OD1-NZ 3.81Å; D184-K210 PolarHBondContact OD1-NZ 2.96Å
185	T	70.2	Confident	88.2	Confident	38 Å²	38	24.5 Å²	24.5	23%	0.233	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.7	-169.8	86	0	0	0	0	112.2	Y183 G187 I686 P693	Y183-T185 PolarHBondContact O-N 3.29Å; T185-G187 PolarHBondContact O-N 3.2Å; T185-I686 HydrophobicContact CG2-CB 4.45Å; T185-I686 HydrophobicContact CG2-CG2 2.98Å; T185-P693 HydrophobicContact CG2-CB 3.97Å; T185-P693 HydrophobicContact CG2-CG 3.72Å; T185-P693 WeakPolarHBondContact OG1-CG 3.47Å
186	F	72.7	Confident	88.2	Confident	9 Å²	9	29 Å²	29	4%	0.039	17%	0.169	C	C	.	.			trans	-70	124.7	-180	-73.6	-34.5	0	0	0	110.8	Y183 N190 L191 I194 K213 P292	Y183-F186 HydrophobicContact CD2-CD2 4.39Å; Y183-F186 HydrophobicContact CD2-CE1 4.11Å; Y183-F186 AromaticContact CD2-CE2 3.61Å; Y183-F186 HydrophobicContact CD2-CE2 3.61Å; Y183-F186 AromaticContact CD2-CZ 3.46Å; Y183-F186 HydrophobicContact CD2-CZ 3.46Å; Y183-F186 VanDerWaalsContact CD2-CZ 3.46Å; Y183-F186 HydrophobicContact CE2-CZ 4.25Å; Y183-F186 HydrophobicContact CG-CE2 4.28Å; Y183-F186 HydrophobicContact CG-CZ 4.3Å; Y183-F186 PolarHBondContact O-N 3.03Å; Y183-F186 VanDerWaalsContact O-N 3.09Å; F186-N190 HydrophobicContact CB-CB 4.19Å; F186-N190 HydrophobicContact CD1-CB 3.99Å; F186-N190 HydrophobicContact CG-CB 4.2Å; F186-L191 HydrophobicContact CB-CD2 3.79Å; F186-L191 HydrophobicContact CB-CG 3.7Å; F186-L191 HydrophobicContact CD2-CD2 4.13Å; F186-L191 HydrophobicContact CG-CD2 4.48Å; F186-I194 HydrophobicContact CD2-CD1 3.53Å; F186-I194 HydrophobicContact CE2-CD1 3.2Å; F186-I194 HydrophobicContact CG-CD1 4.35Å; F186-I194 HydrophobicContact CZ-CD1 3.78Å; F186-K213 PolarHBondContact O-NZ 2.91Å; F186-P292 HydrophobicContact CE1-CG 4.33Å
187	G	72.7	Confident	88.2	Confident	37 Å²	37	30.2 Å²	30.2	38%	0.381	17%	0.174	S	C	.	.			trans	-67.3	162.9	166.1	0	0	0	0	0	111.1	T185 T189 N190 L191	T185-G187 PolarHBondContact O-N 3.2Å; G187-T189 PolarHBondContact O-N 3.14Å; G187-N190 PolarHBondContact O-N 2.99Å; G187-N190 VanDerWaalsContact O-N 3.08Å; G187-L191 PolarHBondContact O-N 3.08Å
188	S	82.8	Confident	88.2	Confident	58 Å²	58	29.9 Å²	29.9	41%	0.406	17%	0.173	S	C	.	.	H	α-helix	trans	-57.9	-34.6	-175.4	-52.6	0	0	0	0	113.3	L191 L192	S188-L191 PolarHBondContact O-N 3.43Å; S188-L192 VanDerWaalsContact O-CB 3.28Å; S188-L192 WeakPolarHBondContact O-CB 3.29Å; S188-L192 PolarHBondContact O-N 2.88Å
189	T	81.6	Confident	88	Confident	116 Å²	116	32.5 Å²	32.5	71%	0.712	18%	0.184	S	C	*	.	H	α-helix	trans	-62.2	-46	176.1	-48.9	0	0	0	0	112.3	G187 L192 H193	G187-T189 PolarHBondContact O-N 3.14Å; T189-L192 PolarHBondContact O-N 3.11Å; T189-H193 PolarHBondContact O-N 2.83Å
190	N	82.1	Confident	87.8	Confident	46 Å²	46	32.5 Å²	32.5	25%	0.246	18%	0.184	C	C	.	.	H	α-helix	trans	-69.7	-41.3	179.2	-74.7	-9.4	0	0	0	111	F186 G187 H193 I194 P292	F186-N190 HydrophobicContact CB-CB 4.19Å; F186-N190 HydrophobicContact CD1-CB 3.99Å; F186-N190 HydrophobicContact CG-CB 4.2Å; G187-N190 PolarHBondContact O-N 2.99Å; G187-N190 VanDerWaalsContact O-N 3.08Å; N190-H193 PolarHBondContact O-N 2.82Å; N190-I194 WeakPolarHBondContact O-CD1 3.47Å; N190-I194 WeakPolarHBondContact O-CG1 3.29Å; N190-I194 PolarHBondContact O-N 2.95Å; N190-P292 HydrophobicContact CB-CG 3.91Å; N190-P292 WeakPolarHBondContact OD1-CD 3.38Å
191	L	89.1	Confident	87.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-43.3	175	-74.1	174.7	0	0	0	111.9	Y158 L182 F186 G187 S188 H193 I194 L195 K213 I217	Y158-L191 HydrophobicContact CE1-CD1 3.97Å; L182-L191 HydrophobicContact CB-CD2 4.28Å; L182-L191 HydrophobicContact CD1-CD2 4.27Å; L182-L191 HydrophobicContact CD2-CD2 4.34Å; F186-L191 HydrophobicContact CB-CD2 3.79Å; F186-L191 HydrophobicContact CB-CG 3.7Å; F186-L191 HydrophobicContact CD2-CD2 4.13Å; F186-L191 HydrophobicContact CG-CD2 4.48Å; G187-L191 PolarHBondContact O-N 3.08Å; S188-L191 PolarHBondContact O-N 3.43Å; L191-H193 PolarHBondContact O-N 3.19Å; L191-I194 PolarHBondContact O-N 3.23Å; L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 VanDerWaalsContact O-CG 3.22Å; L191-L195 WeakPolarHBondContact O-CG 3.38Å; L191-L195 PolarHBondContact O-N 3.18Å; L191-K213 HydrophobicContact CD1-CD 3.5Å; L191-K213 VanDerWaalsContact CD1-CD 3.5Å; L191-K213 HydrophobicContact CD1-CG 4.21Å; L191-I217 HydrophobicContact CB-CD1 3.49Å; L191-I217 VanDerWaalsContact CB-CD1 3.49Å; L191-I217 HydrophobicContact CD1-CD1 4.01Å; L191-I217 HydrophobicContact CG-CD1 4.42Å
192	L	91.3	Very high	87.5	Confident	36 Å²	36	33.7 Å²	33.7	19%	0.188	19%	0.189	C	C	.	.	H	α-helix	trans	-56.4	-51.4	174.7	170.6	58.5	0	0	0	111	S188 T189 I194 L195 E196 I217 K222 T223	S188-L192 VanDerWaalsContact O-CB 3.28Å; S188-L192 WeakPolarHBondContact O-CB 3.29Å; S188-L192 PolarHBondContact O-N 2.88Å; T189-L192 PolarHBondContact O-N 3.11Å; L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 PolarHBondContact O-N 2.8Å; L192-L195 PolarHBondContact O-N 3.16Å; L192-E196 WeakPolarHBondContact O-CB 3.48Å; L192-E196 PolarHBondContact O-N 2.87Å; L192-I217 HydrophobicContact CB-CG2 3.75Å; L192-I217 HydrophobicContact CD1-CG2 3.77Å; L192-I217 HydrophobicContact CG-CG2 4.31Å; L192-K222 HydrophobicContact CD1-CB 3.91Å; L192-K222 HydrophobicContact CD1-CD 4.49Å; L192-K222 HydrophobicContact CD2-CD 4.39Å; L192-T223 HydrophobicContact CD1-CG2 3.62Å
193	H	90	Very high	87.7	Confident	58 Å²	58	33.6 Å²	33.6	27%	0.269	19%	0.189	S	C	.	.	H	α-helix	trans	-56.2	-42.6	178.3	178	62.5	0	0	0	112.2	T189 N190 L191 N197 P292	T189-H193 PolarHBondContact O-N 2.83Å; N190-H193 PolarHBondContact O-N 2.82Å; L191-H193 PolarHBondContact O-N 3.19Å; H193-N197 WeakPolarHBondContact O-CB 3.45Å; H193-N197 PolarHBondContact O-N 3.44Å; H193-P292 PolarHBondContact CD2-O 3.18Å; H193-P292 PolarHBondContact NE2-O 3.4Å; H193-P292 VanDerWaalsContact NE2-O 3.14Å
194	I	93.3	Very high	88.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-47.4	-179.7	-65.6	164.9	0	0	0	111.5	V180 L182 F186 N190 L191 L192 E196 N197 A198 Y284 P292	V180-I194 HydrophobicContact CG1-CG2 3.96Å; L182-I194 HydrophobicContact CD2-CB 4.32Å; L182-I194 HydrophobicContact CD2-CD1 4.34Å; L182-I194 HydrophobicContact CD2-CG2 3.47Å; L182-I194 VanDerWaalsContact CD2-CG2 3.47Å; F186-I194 HydrophobicContact CD2-CD1 3.53Å; F186-I194 HydrophobicContact CE2-CD1 3.2Å; F186-I194 HydrophobicContact CG-CD1 4.35Å; F186-I194 HydrophobicContact CZ-CD1 3.78Å; N190-I194 WeakPolarHBondContact O-CD1 3.47Å; N190-I194 WeakPolarHBondContact O-CG1 3.29Å; N190-I194 PolarHBondContact O-N 2.95Å; L191-I194 PolarHBondContact O-N 3.23Å; L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 PolarHBondContact O-N 2.8Å; I194-E196 PolarHBondContact O-N 3Å; I194-N197 PolarHBondContact O-N 3.41Å; I194-A198 VanDerWaalsContact O-CB 3.32Å; I194-A198 WeakPolarHBondContact O-CB 3.07Å; I194-A198 PolarHBondContact O-N 3.1Å; I194-Y284 HydrophobicContact CB-CD2 4.46Å; I194-Y284 HydrophobicContact CB-CE1 4.47Å; I194-Y284 HydrophobicContact CB-CE2 4.38Å; I194-Y284 HydrophobicContact CD1-CD1 4.25Å; I194-Y284 HydrophobicContact CD1-CD2 4.34Å; I194-Y284 HydrophobicContact CD1-CG 3.89Å; I194-Y284 HydrophobicContact CG1-CD1 3.62Å; I194-Y284 HydrophobicContact CG1-CD2 4.05Å; I194-Y284 HydrophobicContact CG1-CE1 3.92Å; I194-Y284 HydrophobicContact CG1-CE2 4.34Å; I194-Y284 HydrophobicContact CG1-CG 3.67Å; I194-Y284 HydrophobicContact CG2-CD2 3.64Å; I194-Y284 HydrophobicContact CG2-CE1 4.39Å; I194-Y284 HydrophobicContact CG2-CE2 3.48Å; I194-Y284 VanDerWaalsContact CG2-CE2 3.48Å; I194-Y284 HydrophobicContact CG2-CG 4.18Å; I194-P292 HydrophobicContact CD1-CB 4.36Å; I194-P292 HydrophobicContact CD1-CG 4.44Å; I194-P292 HydrophobicContact CG1-CB 4.44Å
195	L	95.4	Very high	89.3	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.8	-37.9	178.5	-71.4	166	0	0	0	111.5	L191 L192 E199 L200 V203 L214 I217 T223	L191-L195 WeakPolarHBondContact O-CB 3.45Å; L191-L195 VanDerWaalsContact O-CG 3.22Å; L191-L195 WeakPolarHBondContact O-CG 3.38Å; L191-L195 PolarHBondContact O-N 3.18Å; L192-L195 PolarHBondContact O-N 3.16Å; L195-E199 WeakPolarHBondContact O-CA 3.41Å; L195-E199 PolarHBondContact O-N 2.84Å; L195-L200 HydrophobicContact CD2-CB 3.87Å; L195-L200 HydrophobicContact CD2-CD1 3.9Å; L195-L200 HydrophobicContact CD2-CG 4.49Å; L195-L200 PolarHBondContact O-N 2.74Å; L195-V203 HydrophobicContact CD2-CG2 3.88Å; L195-L214 HydrophobicContact CD1-CD2 3.96Å; L195-L214 HydrophobicContact CD2-CD2 4.44Å; L195-I217 HydrophobicContact CD1-CB 4.49Å; L195-I217 HydrophobicContact CD1-CD1 4.46Å; L195-I217 HydrophobicContact CD1-CG2 3.82Å; L195-T223 HydrophobicContact CB-CG2 3.82Å; L195-T223 HydrophobicContact CD1-CG2 4.24Å
196	E	94.7	Very high	90.5	Very high	96 Å²	96	29.2 Å²	29.2	45%	0.449	16%	0.164	S	C	.	.	H	α-helix	trans	-72.1	-52.6	176	-175.5	175.3	-165.9	0	0	111.6	L192 I194 E199	L192-E196 WeakPolarHBondContact O-CB 3.48Å; L192-E196 PolarHBondContact O-N 2.87Å; I194-E196 PolarHBondContact O-N 3Å; E196-E199 WeakPolarHBondContact O-CG 3.2Å; E196-E199 PolarHBondContact O-N 3.13Å; E196-E199 VanDerWaalsContact O-N 3.1Å
197	N	94.2	Very high	91.6	Very high	38 Å²	38	30.8 Å²	30.8	20%	0.203	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-44.1	-175.6	177.6	-108	0	0	0	112.9	H193 I194 E199 Y284 K532	H193-N197 WeakPolarHBondContact O-CB 3.45Å; H193-N197 PolarHBondContact O-N 3.44Å; I194-N197 PolarHBondContact O-N 3.41Å; N197-E199 PolarHBondContact O-N 2.82Å; N197-Y284 PolarHBondContact OD1-OH 3.05Å; N197-K532 PolarHBondContact O-NZ 2.72Å
198	A	94.9	Very high	92.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-5	175.2	0	0	0	0	0	113.3	V180 I194 L200 Y284	V180-A198 HydrophobicContact CG1-CB 4.41Å; V180-A198 HydrophobicContact CG2-CB 4.11Å; I194-A198 VanDerWaalsContact O-CB 3.32Å; I194-A198 WeakPolarHBondContact O-CB 3.07Å; I194-A198 PolarHBondContact O-N 3.1Å; A198-L200 VanDerWaalsContact C-N 3.25Å; A198-L200 HydrophobicContact CB-CD1 4.39Å; A198-L200 HydrophobicContact CB-CD2 4.22Å; A198-L200 HydrophobicContact CB-CG 3.84Å; A198-L200 PolarHBondContact O-N 3.17Å; A198-Y284 HydrophobicContact CB-CE2 4.34Å; A198-Y284 WeakPolarHBondContact CB-OH 3.41Å; A198-Y284 PolarHBondContact N-OH 2.88Å
199	E	93.1	Very high	93.1	Very high	71 Å²	71	29.8 Å²	29.8	33%	0.332	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	44.2	-176.9	-62.9	178.9	134.4	0	0	112.5	L195 E196 N197 E201 R224 K532	L195-E199 WeakPolarHBondContact O-CA 3.41Å; L195-E199 PolarHBondContact O-N 2.84Å; E196-E199 WeakPolarHBondContact O-CG 3.2Å; E196-E199 PolarHBondContact O-N 3.13Å; E196-E199 VanDerWaalsContact O-N 3.1Å; N197-E199 PolarHBondContact O-N 2.82Å; E199-E201 PolarHBondContact O-N 2.94Å; E199-R224 IonicContact OE1-CZ 2.82Å; E199-R224 IonicContact OE1-NE 2.64Å; E199-R224 IonicContact OE1-NH1 3.91Å; E199-R224 IonicContact OE1-NH2 3.57Å; E199-R224 PolarHBondContact OE1-NH2 2.74Å; E199-K532 IonicContact OE1-NZ 3.93Å; E199-K532 IonicContact OE2-NZ 3.91Å; E199-K532 PolarHBondContact OE2-NZ 2.91Å
200	L	94.8	Very high	93.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.			trans	-68.4	117.9	-174	-71.2	178.1	0	0	0	111.4	P154 V180 L195 A198 V203 R224 L225	P154-L200 HydrophobicContact CB-CD2 4.03Å; P154-L200 VanDerWaalsContact O-CD2 3.25Å; P154-L200 WeakPolarHBondContact O-CD2 3.45Å; V180-L200 HydrophobicContact CB-CD1 4.1Å; V180-L200 HydrophobicContact CB-CD2 4.09Å; V180-L200 HydrophobicContact CG1-CD1 4.08Å; V180-L200 HydrophobicContact CG2-CD2 3.77Å; L195-L200 HydrophobicContact CD2-CB 3.87Å; L195-L200 HydrophobicContact CD2-CD1 3.9Å; L195-L200 HydrophobicContact CD2-CG 4.49Å; L195-L200 PolarHBondContact O-N 2.74Å; A198-L200 VanDerWaalsContact C-N 3.25Å; A198-L200 HydrophobicContact CB-CD1 4.39Å; A198-L200 HydrophobicContact CB-CD2 4.22Å; A198-L200 HydrophobicContact CB-CG 3.84Å; A198-L200 PolarHBondContact O-N 3.17Å; L200-V203 HydrophobicContact CD1-CG2 4.44Å; L200-R224 CarbonylContact O-C 3.33Å; L200-L225 WeakPolarHBondContact O-CA 3.42Å; L200-L225 PolarHBondContact O-N 2.87Å
201	E	93.6	Very high	94.4	Very high	26 Å²	26	23.1 Å²	23.1	12%	0.121	12%	0.124	C	C	.	.	S	Bend	trans	-93.6	-31.4	175.8	-60.9	-171.7	148	0	0	111.7	E199 R224 R226 R227	E199-E201 PolarHBondContact O-N 2.94Å; E201-R224 HydrophobicContact CG-CB 4.05Å; E201-R226 HydrophobicContact CB-CG 4.2Å; E201-R226 VanDerWaalsContact CD-CZ 3.46Å; E201-R226 PolarHBondContact O-N 2.81Å; E201-R226 IonicContact OE1-CZ 3.81Å; E201-R226 IonicContact OE1-NH1 2.78Å; E201-R226 PolarHBondContact OE1-NH1 3.34Å; E201-R226 IonicContact OE2-CZ 3.86Å; E201-R226 IonicContact OE2-NE 2.62Å; E201-R226 IonicContact OE2-NH1 3.06Å; E201-R226 PolarHBondContact OE2-NH1 3.3Å; E201-R226 IonicContact OE2-NH2 3Å; E201-R226 PolarHBondContact OE2-NH2 3.3Å; E201-R227 PolarHBondContact O-N 2.82Å
202	T	95.3	Very high	94.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.9	179.5	-64.9	0	0	0	0	111.9	E146 I155 G156 R227 I229	E146-T202 WeakPolarHBondContact OE1-CB 3.45Å; E146-T202 PolarHBondContact OE1-OG1 2.82Å; I155-T202 HydrophobicContact CG2-CG2 4.12Å; G156-T202 PolarHBondContact N-O 2.88Å; T202-R227 WeakPolarHBondContact CA-O 3.31Å; T202-R227 HydrophobicContact CG2-CB 4.29Å; T202-R227 HydrophobicContact CG2-CG 4.13Å; T202-R227 WeakPolarHBondContact OG1-CB 3.37Å; T202-I229 HydrophobicContact CG2-CD1 3.9Å; T202-I229 HydrophobicContact CG2-CG1 4.23Å
203	V	97.5	Very high	94.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.5	171.7	177.1	0	0	0	0	110.7	G156 L182 L195 L200 C205 L214 L225 R227 I228 I229	G156-V203 CarbonylContact O-C 3.57Å; G156-V203 WeakPolarHBondContact O-CA 3.33Å; L182-V203 HydrophobicContact CD1-CG1 4.35Å; L195-V203 HydrophobicContact CD2-CG2 3.88Å; L200-V203 HydrophobicContact CD1-CG2 4.44Å; V203-C205 HydrophobicContact CG1-CB 4.48Å; V203-L214 HydrophobicContact CB-CD1 4.22Å; V203-L214 HydrophobicContact CG1-CD1 3.76Å; V203-L225 HydrophobicContact CB-CD1 4.08Å; V203-L225 HydrophobicContact CG2-CD1 3.64Å; V203-R227 PolarHBondContact N-O 3.31Å; V203-I228 WeakPolarHBondContact O-CA 3.16Å; V203-I229 PolarHBondContact O-N 3.19Å
204	I	98.2	Very high	94.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116	165.3	-58.3	174	0	0	0	107.5	L142 I155 G156 I157 Y158 M172 I229 I231 Y255	L142-I204 HydrophobicContact CD1-CD1 4.44Å; I155-I204 HydrophobicContact CG2-CG1 4.42Å; G156-I204 PolarHBondContact O-N 3.34Å; I157-I204 WeakPolarHBondContact CA-O 3.27Å; Y158-I204 PolarHBondContact N-O 3.36Å; M172-I204 HydrophobicContact CE-CD1 3.95Å; I204-I229 CarbonylContact C-O 3.55Å; I204-I229 WeakPolarHBondContact CA-O 3.05Å; I204-I229 HydrophobicContact CG1-CB 4.14Å; I204-I229 HydrophobicContact CG1-CD1 4Å; I204-I229 HydrophobicContact CG1-CG1 4.44Å; I204-I231 HydrophobicContact CG2-CD1 3.98Å; I204-I231 HydrophobicContact CG2-CG1 4.04Å; I204-Y255 HydrophobicContact CG2-CD2 4.26Å; I204-Y255 HydrophobicContact CG2-CE2 4.41Å
205	C	97.5	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140	-169.8	-178.4	0	0	0	0	110.6	V203 K210 F211 L214 I228 I229 L230 I231	V203-C205 HydrophobicContact CG1-CB 4.48Å; C205-K210 WeakPolarHBondContact SG-CB 3.35Å; C205-F211 PolarHBondContact SG-N 2.86Å; C205-F211 VanDerWaalsContact SG-N 3.4Å; C205-L214 HydrophobicContact CB-CD1 4.07Å; C205-I228 HydrophobicContact CB-CG2 3.72Å; C205-I229 PolarHBondContact N-O 2.78Å; C205-L230 HydrophobicContact CB-CD1 3.94Å; C205-L230 WeakPolarHBondContact O-CA 3.49Å; C205-I231 PolarHBondContact O-N 3.36Å
206	E	96.3	Very high	94.7	Very high	23 Å²	23	28 Å²	28	11%	0.107	15%	0.148	C	C	.	.			trans	-68.5	-57.2	-175.9	-166.5	-171.9	118.1	0	0	114	Y158 S160 K210 D232	Y158-E206 PolarHBondContact O-N 2.87Å; Y158-E206 VanDerWaalsContact O-N 3.07Å; S160-E206 VanDerWaalsContact CB-OE2 3.3Å; S160-E206 WeakPolarHBondContact CB-OE2 3.4Å; S160-E206 PolarHBondContact N-OE2 3.26Å; S160-E206 VanDerWaalsContact OG-CD 3.31Å; S160-E206 PolarHBondContact OG-OE2 2.92Å; E206-K210 HydrophobicContact CB-CD 3.96Å; E206-K210 IonicContact OE2-NZ 3.58Å; E206-K210 PolarHBondContact OE2-NZ 3.5Å; E206-D232 WeakPolarHBondContact O-CA 3.3Å; E206-D232 WeakPolarHBondContact O-CB 3.44Å; E206-D232 PolarHBondContact O-N 2.77Å
207	N	95.2	Very high	94.5	Very high	41 Å²	41	23.9 Å²	23.9	22%	0.219	13%	0.129	C	C	.	.	S	Bend	trans	-148.2	171.6	-164.4	62.8	45.5	0	0	0	112.2	A209 K210 F211 D232	N207-A209 PolarHBondContact O-N 3.3Å; N207-A209 PolarHBondContact OD1-N 3.13Å; N207-K210 PolarHBondContact O-N 3.17Å; N207-K210 PolarHBondContact OD1-N 3.47Å; N207-K210 VanDerWaalsContact OD1-N 3.15Å; N207-F211 PolarHBondContact O-N 2.82Å; N207-D232 HydrophobicContact CB-CB 4.31Å
208	G	95	Very high	94.3	Very high	4 Å²	4	24.4 Å²	24.4	4%	0.041	13%	0.128	C	C	.	.	H	α-helix	trans	-52	-46	-178.4	0	0	0	0	0	114.1	K210 F211 E212	G208-K210 VanDerWaalsContact C-N 3.34Å; G208-K210 PolarHBondContact O-N 3.22Å; G208-F211 WeakPolarHBondContact O-CA 3.48Å; G208-F211 WeakPolarHBondContact O-CB 3.22Å; G208-F211 PolarHBondContact O-N 2.72Å; G208-F211 VanDerWaalsContact O-N 3.1Å; G208-E212 WeakPolarHBondContact O-CG 3.35Å; G208-E212 PolarHBondContact O-N 2.76Å
209	A	92.5	Very high	94	Very high	71 Å²	71	29.1 Å²	29.1	59%	0.587	15%	0.146	S	C	*	.	H	α-helix	trans	-62.1	-39.6	-178.8	0	0	0	0	0	112.9	N207 K213	N207-A209 PolarHBondContact O-N 3.3Å; N207-A209 PolarHBondContact OD1-N 3.13Å; A209-K213 PolarHBondContact O-N 2.98Å
210	K	94.5	Very high	93.6	Very high	20 Å²	20	28.3 Å²	28.3	9%	0.087	15%	0.148	C	C	.	.	H	α-helix	trans	-70.3	-37.1	174.5	-71.1	-175.7	-173.3	171	0	111.9	Y158 D184 C205 E206 N207 G208 K213 L214	Y158-K210 HydrophobicContact CD1-CB 3.75Å; Y158-K210 HydrophobicContact CD1-CD 3.89Å; Y158-K210 HydrophobicContact CD1-CG 4.05Å; Y158-K210 HydrophobicContact CD2-CD 4.11Å; Y158-K210 HydrophobicContact CE1-CB 3.53Å; Y158-K210 HydrophobicContact CE1-CD 3.82Å; Y158-K210 HydrophobicContact CE1-CG 3.58Å; Y158-K210 HydrophobicContact CE2-CD 4.06Å; Y158-K210 HydrophobicContact CE2-CG 4.47Å; Y158-K210 HydrophobicContact CG-CD 4.01Å; Y158-K210 WeakPolarHBondContact O-CD 3.46Å; D184-K210 VanDerWaalsContact OD1-CE 3.32Å; D184-K210 WeakPolarHBondContact OD1-CE 3.07Å; D184-K210 IonicContact OD1-NZ 3.81Å; D184-K210 PolarHBondContact OD1-NZ 2.96Å; C205-K210 WeakPolarHBondContact SG-CB 3.35Å; E206-K210 HydrophobicContact CB-CD 3.96Å; E206-K210 IonicContact OE2-NZ 3.58Å; E206-K210 PolarHBondContact OE2-NZ 3.5Å; N207-K210 PolarHBondContact O-N 3.17Å; N207-K210 PolarHBondContact OD1-N 3.47Å; N207-K210 VanDerWaalsContact OD1-N 3.15Å; G208-K210 VanDerWaalsContact C-N 3.34Å; G208-K210 PolarHBondContact O-N 3.22Å; K210-K213 PolarHBondContact O-N 3.41Å; K210-L214 WeakPolarHBondContact O-CG 3.15Å; K210-L214 PolarHBondContact O-N 2.8Å
211	F	95.7	Very high	93.2	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-59.5	-49.8	173.6	163.2	-94.2	0	0	0	111.5	C205 N207 G208 K213 L214 M215 I228 L230 A237 V238 F241 V252	C205-F211 PolarHBondContact SG-N 2.86Å; C205-F211 VanDerWaalsContact SG-N 3.4Å; N207-F211 PolarHBondContact O-N 2.82Å; G208-F211 WeakPolarHBondContact O-CA 3.48Å; G208-F211 WeakPolarHBondContact O-CB 3.22Å; G208-F211 PolarHBondContact O-N 2.72Å; G208-F211 VanDerWaalsContact O-N 3.1Å; F211-K213 VanDerWaalsContact C-N 3.25Å; F211-K213 PolarHBondContact O-N 3.49Å; F211-L214 WeakPolarHBondContact O-CB 3.26Å; F211-L214 PolarHBondContact O-N 3.41Å; F211-M215 HydrophobicContact CD1-CG 4.38Å; F211-M215 HydrophobicContact CD2-CG 4.11Å; F211-M215 HydrophobicContact CE1-CG 3.86Å; F211-M215 HydrophobicContact CE2-CG 3.55Å; F211-M215 HydrophobicContact CE2-SD 3.92Å; F211-M215 HydrophobicContact CG-CG 4.5Å; F211-M215 HydrophobicContact CZ-CG 3.41Å; F211-M215 VanDerWaalsContact CZ-CG 3.41Å; F211-M215 HydrophobicContact CZ-SD 4.09Å; F211-M215 PolarHBondContact O-N 2.82Å; F211-I228 HydrophobicContact CD2-CB 4.45Å; F211-I228 HydrophobicContact CD2-CD1 3.83Å; F211-I228 HydrophobicContact CD2-CG2 4.04Å; F211-I228 HydrophobicContact CE2-CD1 3.92Å; F211-L230 HydrophobicContact CB-CD1 3.94Å; F211-L230 HydrophobicContact CB-CD2 4.42Å; F211-A237 HydrophobicContact CD1-CB 4.23Å; F211-V238 HydrophobicContact CD1-CG2 4.42Å; F211-V238 HydrophobicContact CE1-CB 4.44Å; F211-V238 HydrophobicContact CE1-CG2 4.06Å; F211-V238 HydrophobicContact CZ-CB 4.5Å; F211-V238 HydrophobicContact CZ-CG2 4.1Å; F211-F241 HydrophobicContact CE1-CB 4.38Å; F211-F241 AromaticContact CE1-CD2 3.97Å; F211-F241 HydrophobicContact CE1-CD2 3.97Å; F211-F241 HydrophobicContact CE1-CG 4.4Å; F211-F241 HydrophobicContact CZ-CB 4.35Å; F211-V252 HydrophobicContact CD2-CG1 4.47Å; F211-V252 HydrophobicContact CE2-CG1 3.99Å; F211-V252 HydrophobicContact CE2-CG2 3.64Å; F211-V252 HydrophobicContact CZ-CG2 4.14Å
212	E	93.8	Very high	93	Very high	45 Å²	45	35.9 Å²	35.9	21%	0.21	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-39.6	177.8	-62.7	-169.8	152.4	0	0	111.2	G208 L214 M215 N216 A237 R240 F241	G208-E212 WeakPolarHBondContact O-CG 3.35Å; G208-E212 PolarHBondContact O-N 2.76Å; E212-L214 PolarHBondContact O-N 3.02Å; E212-M215 PolarHBondContact O-N 3.21Å; E212-N216 WeakPolarHBondContact O-CB 3.46Å; E212-N216 VanDerWaalsContact O-CG 3.23Å; E212-N216 PolarHBondContact O-N 2.97Å; E212-N216 PolarHBondContact O-ND2 3.2Å; E212-A237 HydrophobicContact CG-CB 4.11Å; E212-R240 VanDerWaalsContact OE1-CD 3.3Å; E212-R240 WeakPolarHBondContact OE1-CD 3.31Å; E212-R240 IonicContact OE1-CZ 3.65Å; E212-R240 IonicContact OE1-NE 3.87Å; E212-R240 IonicContact OE1-NH1 2.72Å; E212-R240 PolarHBondContact OE1-NH1 2.94Å; E212-R240 IonicContact OE2-NH1 3.86Å; E212-F241 HydrophobicContact CB-CE2 3.89Å; E212-F241 HydrophobicContact CB-CZ 4.16Å; E212-F241 HydrophobicContact CG-CD2 4.44Å; E212-F241 HydrophobicContact CG-CE2 3.66Å; E212-F241 HydrophobicContact CG-CZ 4.41Å
213	K	91.7	Very high	92.9	Very high	62 Å²	62	36.3 Å²	36.3	27%	0.27	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-44.4	175.2	-167.7	-176.3	-77.7	179.5	0	111.4	F186 L191 A209 K210 F211 I217	F186-K213 PolarHBondContact O-NZ 2.91Å; L191-K213 HydrophobicContact CD1-CD 3.5Å; L191-K213 VanDerWaalsContact CD1-CD 3.5Å; L191-K213 HydrophobicContact CD1-CG 4.21Å; A209-K213 PolarHBondContact O-N 2.98Å; K210-K213 PolarHBondContact O-N 3.41Å; F211-K213 VanDerWaalsContact C-N 3.25Å; F211-K213 PolarHBondContact O-N 3.49Å; K213-I217 HydrophobicContact CG-CD1 4.24Å; K213-I217 WeakPolarHBondContact O-CD1 3.45Å; K213-I217 VanDerWaalsContact O-CG1 3.23Å; K213-I217 WeakPolarHBondContact O-CG1 3.35Å; K213-I217 PolarHBondContact O-N 2.76Å; K213-I217 VanDerWaalsContact O-N 3.09Å
214	L	94.7	Very high	92.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-43.6	176.7	-69.7	173.7	0	0	0	112.2	Y158 L195 V203 C205 K210 F211 E212 I217 R218 L225 I228	Y158-L214 HydrophobicContact CD1-CD1 4.26Å; Y158-L214 HydrophobicContact CD1-CD2 4.38Å; Y158-L214 HydrophobicContact CD1-CG 4.26Å; L195-L214 HydrophobicContact CD1-CD2 3.96Å; L195-L214 HydrophobicContact CD2-CD2 4.44Å; V203-L214 HydrophobicContact CB-CD1 4.22Å; V203-L214 HydrophobicContact CG1-CD1 3.76Å; C205-L214 HydrophobicContact CB-CD1 4.07Å; K210-L214 WeakPolarHBondContact O-CG 3.15Å; K210-L214 PolarHBondContact O-N 2.8Å; F211-L214 WeakPolarHBondContact O-CB 3.26Å; F211-L214 PolarHBondContact O-N 3.41Å; E212-L214 PolarHBondContact O-N 3.02Å; L214-I217 PolarHBondContact O-N 3.06Å; L214-R218 WeakPolarHBondContact O-CB 3.41Å; L214-R218 PolarHBondContact O-N 2.61Å; L214-L225 HydrophobicContact CB-CD2 4.07Å; L214-I228 HydrophobicContact CB-CD1 4.11Å; L214-I228 HydrophobicContact CD1-CD1 4.37Å
215	M	93.9	Very high	92.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-42.7	178	-69.3	-57.1	-70.4	0	0	112.1	F211 E212 I217 R218 R219 I228 F241 D247 V250	F211-M215 HydrophobicContact CD1-CG 4.38Å; F211-M215 HydrophobicContact CD2-CG 4.11Å; F211-M215 HydrophobicContact CE1-CG 3.86Å; F211-M215 HydrophobicContact CE2-CG 3.55Å; F211-M215 HydrophobicContact CE2-SD 3.92Å; F211-M215 HydrophobicContact CG-CG 4.5Å; F211-M215 HydrophobicContact CZ-CG 3.41Å; F211-M215 VanDerWaalsContact CZ-CG 3.41Å; F211-M215 HydrophobicContact CZ-SD 4.09Å; F211-M215 PolarHBondContact O-N 2.82Å; E212-M215 PolarHBondContact O-N 3.21Å; M215-I217 VanDerWaalsContact C-N 3.29Å; M215-I217 PolarHBondContact O-N 3.14Å; M215-R218 WeakPolarHBondContact O-CB 3.23Å; M215-R218 PolarHBondContact O-N 3.02Å; M215-R218 VanDerWaalsContact O-N 3.11Å; M215-R219 PolarHBondContact O-N 3.13Å; M215-I228 HydrophobicContact CG-CD1 4.39Å; M215-I228 HydrophobicContact SD-CD1 3.81Å; M215-F241 HydrophobicContact CB-CD1 3.44Å; M215-F241 VanDerWaalsContact CB-CD1 3.44Å; M215-F241 HydrophobicContact CB-CD2 4.45Å; M215-F241 HydrophobicContact CB-CE1 3.56Å; M215-F241 HydrophobicContact CB-CG 3.91Å; M215-F241 HydrophobicContact CB-CZ 4.16Å; M215-F241 HydrophobicContact CE-CB 4.05Å; M215-F241 HydrophobicContact CE-CD1 4.4Å; M215-F241 HydrophobicContact CG-CB 4.35Å; M215-F241 HydrophobicContact CG-CD1 4.11Å; M215-F241 HydrophobicContact CG-CG 4.11Å; M215-D247 HydrophobicContact CE-CB 3.78Å; M215-V250 HydrophobicContact CE-CB 4.32Å; M215-V250 HydrophobicContact CE-CG2 4.25Å; M215-V250 HydrophobicContact SD-CB 4.33Å; M215-V250 HydrophobicContact SD-CG1 4.14Å; M215-V250 HydrophobicContact SD-CG2 4.32Å
216	N	91.7	Very high	92	Very high	89 Å²	89	46.9 Å²	46.9	48%	0.476	24%	0.24	S	C	.	.	H	α-helix	trans	-60.3	-39.5	174.3	-75	-35.6	0	0	0	112.2	E212 F241	E212-N216 WeakPolarHBondContact O-CB 3.46Å; E212-N216 VanDerWaalsContact O-CG 3.23Å; E212-N216 PolarHBondContact O-N 2.97Å; E212-N216 PolarHBondContact O-ND2 3.2Å; N216-F241 WeakPolarHBondContact OD1-CE1 3.38Å
217	I	90.3	Very high	91.8	Very high	9 Å²	9	46 Å²	46	5%	0.046	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-42.6	173.9	-67.4	161.9	0	0	0	110.7	L191 L192 L195 K213 L214 M215 R219 S220 T223	L191-I217 HydrophobicContact CB-CD1 3.49Å; L191-I217 VanDerWaalsContact CB-CD1 3.49Å; L191-I217 HydrophobicContact CD1-CD1 4.01Å; L191-I217 HydrophobicContact CG-CD1 4.42Å; L192-I217 HydrophobicContact CB-CG2 3.75Å; L192-I217 HydrophobicContact CD1-CG2 3.77Å; L192-I217 HydrophobicContact CG-CG2 4.31Å; L195-I217 HydrophobicContact CD1-CB 4.49Å; L195-I217 HydrophobicContact CD1-CD1 4.46Å; L195-I217 HydrophobicContact CD1-CG2 3.82Å; K213-I217 HydrophobicContact CG-CD1 4.24Å; K213-I217 WeakPolarHBondContact O-CD1 3.45Å; K213-I217 VanDerWaalsContact O-CG1 3.23Å; K213-I217 WeakPolarHBondContact O-CG1 3.35Å; K213-I217 PolarHBondContact O-N 2.76Å; K213-I217 VanDerWaalsContact O-N 3.09Å; L214-I217 PolarHBondContact O-N 3.06Å; M215-I217 VanDerWaalsContact C-N 3.29Å; M215-I217 PolarHBondContact O-N 3.14Å; I217-R219 VanDerWaalsContact C-N 3.28Å; I217-R219 PolarHBondContact O-N 3.22Å; I217-S220 WeakPolarHBondContact O-CB 3.38Å; I217-S220 PolarHBondContact O-N 2.87Å; I217-S220 PolarHBondContact O-OG 2.74Å; I217-T223 HydrophobicContact CG2-CG2 3.89Å
218	R	90.6	Very high	91.9	Very high	49 Å²	49	44 Å²	44	19%	0.185	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-35.1	179.7	176.5	57.6	178.2	84.5	3.1	112.8	L214 M215 S220 G221 T223 L225 V250	L214-R218 WeakPolarHBondContact O-CB 3.41Å; L214-R218 PolarHBondContact O-N 2.61Å; M215-R218 WeakPolarHBondContact O-CB 3.23Å; M215-R218 PolarHBondContact O-N 3.02Å; M215-R218 VanDerWaalsContact O-N 3.11Å; R218-S220 PolarHBondContact O-N 3.38Å; R218-S220 VanDerWaalsContact O-N 3.14Å; R218-G221 PolarHBondContact O-N 3.2Å; R218-T223 WeakPolarHBondContact CD-OG1 3.06Å; R218-L225 WeakPolarHBondContact CD-O 3.14Å; R218-L225 PolarHBondContact NE-O 2.76Å; R218-V250 HydrophobicContact CG-CG2 4.13Å
219	R	88.4	Confident	92	Very high	100 Å²	100	43.9 Å²	43.9	38%	0.377	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15.7	174.2	-73.7	179.5	176.9	177.4	-6.3	114	M215 I217 G221 D247	M215-R219 PolarHBondContact O-N 3.13Å; I217-R219 VanDerWaalsContact C-N 3.28Å; I217-R219 PolarHBondContact O-N 3.22Å; R219-G221 PolarHBondContact O-N 3.29Å; R219-D247 IonicContact CZ-OD1 3.79Å; R219-D247 IonicContact CZ-OD2 3.58Å; R219-D247 IonicContact NE-OD1 3.07Å; R219-D247 PolarHBondContact NE-OD1 3.36Å; R219-D247 VanDerWaalsContact NE-OD1 3.07Å; R219-D247 IonicContact NE-OD2 3.62Å; R219-D247 IonicContact NH2-OD1 3.63Å; R219-D247 IonicContact NH2-OD2 2.71Å; R219-D247 PolarHBondContact NH2-OD2 2.9Å
220	S	85	Confident	92.2	Very high	54 Å²	54	40.5 Å²	40.5	38%	0.378	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.3	171.1	71.6	0	0	0	0	114	I217 R218 K222	I217-S220 WeakPolarHBondContact O-CB 3.38Å; I217-S220 PolarHBondContact O-N 2.87Å; I217-S220 PolarHBondContact O-OG 2.74Å; R218-S220 PolarHBondContact O-N 3.38Å; R218-S220 VanDerWaalsContact O-N 3.14Å; S220-K222 PolarHBondContact O-N 3.08Å; S220-K222 PolarHBondContact OG-N 3.28Å
221	G	86.6	Confident	92.4	Very high	60 Å²	60	40.4 Å²	40.4	62%	0.619	20%	0.196	S	C	*	.	S	Bend	trans	74.9	2.8	-178.3	0	0	0	0	0	114.9	R218 R219	R218-G221 PolarHBondContact O-N 3.2Å; R219-G221 PolarHBondContact O-N 3.29Å
222	K	89.3	Confident	92.4	Very high	125 Å²	125	43.7 Å²	43.7	54%	0.543	21%	0.213	S	C	.	.			trans	-96.1	-7.1	-175	-64.5	-177	-179.5	-173.5	0	114.8	L192 S220	L192-K222 HydrophobicContact CD1-CB 3.91Å; L192-K222 HydrophobicContact CD1-CD 4.49Å; L192-K222 HydrophobicContact CD2-CD 4.39Å; S220-K222 PolarHBondContact O-N 3.08Å; S220-K222 PolarHBondContact OG-N 3.28Å
223	T	92	Very high	92.4	Very high	9 Å²	9	44.6 Å²	44.6	6%	0.055	22%	0.217	C	C	.	.			trans	-110.8	152.2	-176.2	74.1	0	0	0	0	111.7	L192 L195 I217 R218 L225	L192-T223 HydrophobicContact CD1-CG2 3.62Å; L195-T223 HydrophobicContact CB-CG2 3.82Å; L195-T223 HydrophobicContact CD1-CG2 4.24Å; I217-T223 HydrophobicContact CG2-CG2 3.89Å; R218-T223 WeakPolarHBondContact CD-OG1 3.06Å; T223-L225 VanDerWaalsContact C-N 3.3Å
224	R	90.9	Very high	92.5	Very high	137 Å²	137	44.7 Å²	44.7	52%	0.517	22%	0.221	S	C	.	.			trans	-90.2	9	173.9	-61	-167	-177.8	-175.9	8.5	113.6	E199 L200 E201 R226	E199-R224 IonicContact OE1-CZ 2.82Å; E199-R224 IonicContact OE1-NE 2.64Å; E199-R224 IonicContact OE1-NH1 3.91Å; E199-R224 IonicContact OE1-NH2 3.57Å; E199-R224 PolarHBondContact OE1-NH2 2.74Å; L200-R224 CarbonylContact O-C 3.33Å; E201-R224 HydrophobicContact CG-CB 4.05Å; R224-R226 PolarHBondContact O-N 2.88Å; R224-R226 VanDerWaalsContact O-N 3.09Å
225	L	92.9	Very high	92.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.			trans	-59.5	117.2	-175.8	-175.2	67.9	0	0	0	109.7	L200 V203 L214 R218 T223 I228	L200-L225 WeakPolarHBondContact O-CA 3.42Å; L200-L225 PolarHBondContact O-N 2.87Å; V203-L225 HydrophobicContact CB-CD1 4.08Å; V203-L225 HydrophobicContact CG2-CD1 3.64Å; L214-L225 HydrophobicContact CB-CD2 4.07Å; R218-L225 WeakPolarHBondContact CD-O 3.14Å; R218-L225 PolarHBondContact NE-O 2.76Å; T223-L225 VanDerWaalsContact C-N 3.3Å; L225-I228 HydrophobicContact CD1-CG1 4.25Å; L225-I228 HydrophobicContact CD2-CD1 3.88Å; L225-I228 HydrophobicContact CD2-CG1 4.06Å; L225-I228 HydrophobicContact CG-CG1 4.23Å
226	R	91	Very high	92.3	Very high	84 Å²	84	53.9 Å²	53.9	32%	0.317	27%	0.273	S	S	.	.			trans	-128.5	-11.8	-178.8	69.4	175	-176.2	-123.4	-5.6	113.4	E146 E201 R224 V250 S251	E146-R226 PolarHBondContact O-NH2 2.97Å; E201-R226 HydrophobicContact CB-CG 4.2Å; E201-R226 VanDerWaalsContact CD-CZ 3.46Å; E201-R226 PolarHBondContact O-N 2.81Å; E201-R226 IonicContact OE1-CZ 3.81Å; E201-R226 IonicContact OE1-NH1 2.78Å; E201-R226 PolarHBondContact OE1-NH1 3.34Å; E201-R226 IonicContact OE2-CZ 3.86Å; E201-R226 IonicContact OE2-NE 2.62Å; E201-R226 IonicContact OE2-NH1 3.06Å; E201-R226 PolarHBondContact OE2-NH1 3.3Å; E201-R226 IonicContact OE2-NH2 3Å; E201-R226 PolarHBondContact OE2-NH2 3.3Å; R224-R226 PolarHBondContact O-N 2.88Å; R224-R226 VanDerWaalsContact O-N 3.09Å; R226-V250 CarbonylContact O-C 3.38Å; R226-V250 WeakPolarHBondContact O-CA 3.24Å; R226-S251 PolarHBondContact O-N 3.5Å
227	R	93.3	Very high	92.3	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.019	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	131.6	175.8	-179.5	177.4	174.1	-158.2	15	111.8	F145 E201 T202 V203 I229 S251 E253	F145-R227 VanDerWaalsContact CD1-CD 3.41Å; F145-R227 HydrophobicContact CE1-CB 3.66Å; F145-R227 HydrophobicContact CE1-CG 4.11Å; F145-R227 HydrophobicContact CZ-CB 3.76Å; F145-R227 VanDerWaalsContact CZ-CD 3.47Å; F145-R227 HydrophobicContact CZ-CG 4.12Å; E201-R227 PolarHBondContact O-N 2.82Å; T202-R227 WeakPolarHBondContact CA-O 3.31Å; T202-R227 HydrophobicContact CG2-CB 4.29Å; T202-R227 HydrophobicContact CG2-CG 4.13Å; T202-R227 WeakPolarHBondContact OG1-CB 3.37Å; V203-R227 PolarHBondContact N-O 3.31Å; R227-I229 HydrophobicContact CG-CG1 4.15Å; R227-S251 CarbonylContact C-O 3.55Å; R227-S251 VanDerWaalsContact CA-O 3.26Å; R227-S251 WeakPolarHBondContact CA-O 3.3Å; R227-E253 IonicContact CZ-OE1 2.72Å; R227-E253 IonicContact NE-OE1 2.84Å; R227-E253 PolarHBondContact NE-OE1 2.99Å; R227-E253 IonicContact NH2-OE1 3.03Å; R227-E253 PolarHBondContact NH2-OE1 3.29Å; R227-E253 IonicContact NH2-OE2 3.9Å
228	I	95.8	Very high	92.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.5	171.9	-56.1	174.3	0	0	0	109	V203 C205 F211 L214 M215 L225 V250 S251 V252 E253	V203-I228 WeakPolarHBondContact O-CA 3.16Å; C205-I228 HydrophobicContact CB-CG2 3.72Å; F211-I228 HydrophobicContact CD2-CB 4.45Å; F211-I228 HydrophobicContact CD2-CD1 3.83Å; F211-I228 HydrophobicContact CD2-CG2 4.04Å; F211-I228 HydrophobicContact CE2-CD1 3.92Å; L214-I228 HydrophobicContact CB-CD1 4.11Å; L214-I228 HydrophobicContact CD1-CD1 4.37Å; M215-I228 HydrophobicContact CG-CD1 4.39Å; M215-I228 HydrophobicContact SD-CD1 3.81Å; L225-I228 HydrophobicContact CD1-CG1 4.25Å; L225-I228 HydrophobicContact CD2-CD1 3.88Å; L225-I228 HydrophobicContact CD2-CG1 4.06Å; L225-I228 HydrophobicContact CG-CG1 4.23Å; I228-V250 HydrophobicContact CD1-CG1 4.1Å; I228-V250 HydrophobicContact CG1-CG1 4.05Å; I228-S251 PolarHBondContact N-O 3.36Å; I228-V252 WeakPolarHBondContact O-CA 3.09Å; I228-E253 PolarHBondContact O-N 3.44Å
229	I	97.3	Very high	92.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	106.7	179.1	-47.2	179.4	0	0	0	107.2	L142 T202 V203 I204 C205 R227 E253 Y255 L258	L142-I229 HydrophobicContact CD2-CD1 3.47Å; L142-I229 VanDerWaalsContact CD2-CD1 3.47Å; T202-I229 HydrophobicContact CG2-CD1 3.9Å; T202-I229 HydrophobicContact CG2-CG1 4.23Å; V203-I229 PolarHBondContact O-N 3.19Å; I204-I229 CarbonylContact C-O 3.55Å; I204-I229 WeakPolarHBondContact CA-O 3.05Å; I204-I229 HydrophobicContact CG1-CB 4.14Å; I204-I229 HydrophobicContact CG1-CD1 4Å; I204-I229 HydrophobicContact CG1-CG1 4.44Å; C205-I229 PolarHBondContact N-O 2.78Å; R227-I229 HydrophobicContact CG-CG1 4.15Å; I229-E253 HydrophobicContact CB-CG 4.29Å; I229-E253 WeakPolarHBondContact CD1-OE1 3.08Å; I229-E253 HydrophobicContact CG1-CG 4.01Å; I229-E253 VanDerWaalsContact CG1-OE1 3.27Å; I229-E253 WeakPolarHBondContact CG1-OE1 3.09Å; I229-E253 HydrophobicContact CG2-CG 4.17Å; I229-Y255 HydrophobicContact CG2-CD2 3.91Å; I229-Y255 HydrophobicContact CG2-CG 4.49Å; I229-L258 HydrophobicContact CD1-CD2 3.83Å; I229-L258 HydrophobicContact CG2-CD2 3.95Å
230	L	97.7	Very high	92.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.5	-170.6	-161.9	60.6	0	0	0	111	C205 F211 F233 V238 E253 Y255	C205-L230 HydrophobicContact CB-CD1 3.94Å; C205-L230 WeakPolarHBondContact O-CA 3.49Å; F211-L230 HydrophobicContact CB-CD1 3.94Å; F211-L230 HydrophobicContact CB-CD2 4.42Å; L230-F233 HydrophobicContact CB-CD2 4.13Å; L230-F233 HydrophobicContact CD2-CD2 4.06Å; L230-F233 HydrophobicContact CD2-CG 4.43Å; L230-V238 HydrophobicContact CD2-CG2 4.23Å; L230-E253 PolarHBondContact N-O 3.22Å; L230-Y255 WeakPolarHBondContact O-CB 3.47Å; L230-Y255 PolarHBondContact O-N 3.11Å
231	I	97.8	Very high	92.2	Very high	19 Å²	19	52.4 Å²	52.4	10%	0.097	27%	0.265	C	S	.	.	S	Bend	trans	-70.5	-62.4	-178	-60.7	169.9	0	0	0	110.2	E164 I204 C205 F233 Y255	E164-I231 HydrophobicContact CB-CD1 4.03Å; E164-I231 HydrophobicContact CB-CG1 4.41Å; E164-I231 HydrophobicContact CB-CG2 4.11Å; E164-I231 HydrophobicContact CG-CG2 3.87Å; I204-I231 HydrophobicContact CG2-CD1 3.98Å; I204-I231 HydrophobicContact CG2-CG1 4.04Å; C205-I231 PolarHBondContact O-N 3.36Å; I231-F233 PolarHBondContact O-N 2.91Å; I231-Y255 HydrophobicContact CG1-CD2 4.16Å; I231-Y255 HydrophobicContact CG1-CG 4.24Å
232	D	95.6	Very high	91.6	Very high	69 Å²	69	52.5 Å²	52.5	37%	0.369	26%	0.257	S	S	.	.	S	Bend	trans	-94	85.9	174.5	-55.3	-34.9	0	0	0	107.9	R162 E206 N207 D234	R162-D232 IonicContact CZ-OD1 2.68Å; R162-D232 IonicContact CZ-OD2 2.75Å; R162-D232 IonicContact NH1-OD1 3.49Å; R162-D232 PolarHBondContact NH1-OD1 3.18Å; R162-D232 IonicContact NH1-OD2 2.62Å; R162-D232 PolarHBondContact NH1-OD2 3.49Å; R162-D232 IonicContact NH2-OD1 3.07Å; R162-D232 PolarHBondContact NH2-OD1 3.01Å; R162-D232 IonicContact NH2-OD2 3.6Å; R162-D232 PolarHBondContact NH2-OD2 3.41Å; E206-D232 WeakPolarHBondContact O-CA 3.3Å; E206-D232 WeakPolarHBondContact O-CB 3.44Å; E206-D232 PolarHBondContact O-N 2.77Å; N207-D232 HydrophobicContact CB-CB 4.31Å; D232-D234 PolarHBondContact O-N 3.49Å
233	F	93.8	Very high	90.9	Very high	65 Å²	65	51 Å²	51	29%	0.285	26%	0.262	S	S	.	.			trans	-64.6	125.8	-174.1	-167.5	-90.4	0	0	0	112.1	L230 I231 E235 V238 V252 K254	L230-F233 HydrophobicContact CB-CD2 4.13Å; L230-F233 HydrophobicContact CD2-CD2 4.06Å; L230-F233 HydrophobicContact CD2-CG 4.43Å; I231-F233 PolarHBondContact O-N 2.91Å; F233-E235 HydrophobicContact CD1-CB 4.39Å; F233-E235 HydrophobicContact CE1-CB 4Å; F233-E235 HydrophobicContact CE1-CG 4.41Å; F233-V238 HydrophobicContact CE2-CG2 4.1Å; F233-V238 HydrophobicContact CZ-CB 4.39Å; F233-V238 HydrophobicContact CZ-CG1 4.46Å; F233-V238 HydrophobicContact CZ-CG2 4Å; F233-V252 HydrophobicContact CE2-CG1 4.29Å; F233-K254 HydrophobicContact CB-CD 4.41Å; F233-K254 HydrophobicContact CB-CG 3.8Å; F233-K254 HydrophobicContact CD1-CD 4.25Å; F233-K254 HydrophobicContact CD1-CG 4.1Å; F233-K254 HydrophobicContact CD2-CB 4.22Å; F233-K254 HydrophobicContact CD2-CD 4.18Å; F233-K254 HydrophobicContact CD2-CG 3.19Å; F233-K254 HydrophobicContact CE1-CG 4.46Å; F233-K254 HydrophobicContact CE2-CD 4.47Å; F233-K254 HydrophobicContact CE2-CG 3.64Å; F233-K254 HydrophobicContact CG-CD 4.04Å; F233-K254 VanDerWaalsContact CG-CE 3.49Å; F233-K254 HydrophobicContact CG-CG 3.43Å; F233-K254 VanDerWaalsContact CG-CG 3.43Å; F233-K254 HydrophobicContact CZ-CG 4.26Å
234	D	92.9	Very high	89.8	Confident	64 Å²	64	55.2 Å²	55.2	34%	0.342	28%	0.281	S	S	.	.			trans	-117.3	101	178.4	-176.9	-16.8	0	0	0	109.4	D232 A236 A237 V238	D232-D234 PolarHBondContact O-N 3.49Å; D234-A236 VanDerWaalsContact C-N 3.27Å; D234-A236 PolarHBondContact O-N 3.48Å; D234-A236 WeakPolarHBondContact OD1-CB 3.3Å; D234-A236 PolarHBondContact OD1-N 3.25Å; D234-A237 HydrophobicContact CB-CB 3.87Å; D234-A237 PolarHBondContact O-N 2.83Å; D234-A237 PolarHBondContact OD1-N 2.87Å; D234-V238 WeakPolarHBondContact O-CG2 3.47Å; D234-V238 PolarHBondContact O-N 3.07Å
235	E	92.9	Very high	88.7	Confident	141 Å²	141	53.6 Å²	53.6	66%	0.659	29%	0.288	S	S	*	.	H	α-helix	trans	-65.9	-30.2	-177.6	-168.1	153.4	-146.8	0	0	112.5	F233 S239	F233-E235 HydrophobicContact CD1-CB 4.39Å; F233-E235 HydrophobicContact CE1-CB 4Å; F233-E235 HydrophobicContact CE1-CG 4.41Å; E235-S239 VanDerWaalsContact O-CB 3.31Å; E235-S239 WeakPolarHBondContact O-CB 3.42Å; E235-S239 PolarHBondContact O-N 3.29Å; E235-S239 PolarHBondContact O-OG 3.43Å
236	A	93	Very high	87.4	Confident	53 Å²	53	56.9 Å²	56.9	44%	0.438	31%	0.308	S	S	.	.	H	α-helix	trans	-70.9	-40.9	176	0	0	0	0	0	111.2	D234 S239 R240	D234-A236 VanDerWaalsContact C-N 3.27Å; D234-A236 PolarHBondContact O-N 3.48Å; D234-A236 WeakPolarHBondContact OD1-CB 3.3Å; D234-A236 PolarHBondContact OD1-N 3.25Å; A236-S239 WeakPolarHBondContact CA-OG 3.33Å; A236-S239 PolarHBondContact O-OG 2.85Å; A236-R240 WeakPolarHBondContact O-CG 3.48Å; A236-R240 PolarHBondContact O-N 2.93Å
237	A	92	Very high	86.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-44.8	174.2	0	0	0	0	0	111.6	F211 E212 D234 R240 F241	F211-A237 HydrophobicContact CD1-CB 4.23Å; E212-A237 HydrophobicContact CG-CB 4.11Å; D234-A237 HydrophobicContact CB-CB 3.87Å; D234-A237 PolarHBondContact O-N 2.83Å; D234-A237 PolarHBondContact OD1-N 2.87Å; A237-R240 PolarHBondContact O-N 3.23Å; A237-F241 WeakPolarHBondContact O-CD2 3.3Å
238	V	91.2	Very high	85.2	Confident	23 Å²	23	60.2 Å²	60.2	14%	0.139	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-42.8	-179.6	175.4	0	0	0	0	111.9	F211 L230 F233 D234 R240 F241 S242 V252	F211-V238 HydrophobicContact CD1-CG2 4.42Å; F211-V238 HydrophobicContact CE1-CB 4.44Å; F211-V238 HydrophobicContact CE1-CG2 4.06Å; F211-V238 HydrophobicContact CZ-CB 4.5Å; F211-V238 HydrophobicContact CZ-CG2 4.1Å; L230-V238 HydrophobicContact CD2-CG2 4.23Å; F233-V238 HydrophobicContact CE2-CG2 4.1Å; F233-V238 HydrophobicContact CZ-CB 4.39Å; F233-V238 HydrophobicContact CZ-CG1 4.46Å; F233-V238 HydrophobicContact CZ-CG2 4Å; D234-V238 WeakPolarHBondContact O-CG2 3.47Å; D234-V238 PolarHBondContact O-N 3.07Å; V238-R240 VanDerWaalsContact C-N 3.27Å; V238-R240 PolarHBondContact O-N 2.84Å; V238-F241 CarbonylContact O-C 3.53Å; V238-F241 PolarHBondContact O-N 3.31Å; V238-S242 PolarHBondContact O-N 3.1Å; V238-S242 PolarHBondContact O-OG 3.44Å; V238-V252 HydrophobicContact CG1-CG1 4.41Å; V238-V252 HydrophobicContact CG2-CG1 3.99Å
239	S	88.9	Confident	84.5	Confident	70 Å²	70	65.7 Å²	65.7	49%	0.49	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-30.5	-179.8	53.5	0	0	0	0	113.7	E235 A236 F241 S242	E235-S239 VanDerWaalsContact O-CB 3.31Å; E235-S239 WeakPolarHBondContact O-CB 3.42Å; E235-S239 PolarHBondContact O-N 3.29Å; E235-S239 PolarHBondContact O-OG 3.43Å; A236-S239 WeakPolarHBondContact CA-OG 3.33Å; A236-S239 PolarHBondContact O-OG 2.85Å; S239-F241 PolarHBondContact O-N 3.08Å; S239-S242 WeakPolarHBondContact CA-OG 3.45Å; S239-S242 PolarHBondContact O-N 2.9Å
240	R	87.4	Confident	84.1	Confident	159 Å²	159	66.1 Å²	66.1	60%	0.6	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.6	174.2	-70.6	168.6	-174.5	179.3	0.6	114	E212 A236 A237 V238	E212-R240 VanDerWaalsContact OE1-CD 3.3Å; E212-R240 WeakPolarHBondContact OE1-CD 3.31Å; E212-R240 IonicContact OE1-CZ 3.65Å; E212-R240 IonicContact OE1-NE 3.87Å; E212-R240 IonicContact OE1-NH1 2.72Å; E212-R240 PolarHBondContact OE1-NH1 2.94Å; E212-R240 IonicContact OE2-NH1 3.86Å; A236-R240 WeakPolarHBondContact O-CG 3.48Å; A236-R240 PolarHBondContact O-N 2.93Å; A237-R240 PolarHBondContact O-N 3.23Å; V238-R240 VanDerWaalsContact C-N 3.27Å; V238-R240 PolarHBondContact O-N 2.84Å
241	F	83.6	Confident	83.8	Confident	17 Å²	17	68.8 Å²	68.8	8%	0.075	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	23.2	179.9	-66.3	-94.1	0	0	0	111.3	F211 E212 M215 N216 A237 V238 S239 D247	F211-F241 HydrophobicContact CE1-CB 4.38Å; F211-F241 AromaticContact CE1-CD2 3.97Å; F211-F241 HydrophobicContact CE1-CD2 3.97Å; F211-F241 HydrophobicContact CE1-CG 4.4Å; F211-F241 HydrophobicContact CZ-CB 4.35Å; E212-F241 HydrophobicContact CB-CE2 3.89Å; E212-F241 HydrophobicContact CB-CZ 4.16Å; E212-F241 HydrophobicContact CG-CD2 4.44Å; E212-F241 HydrophobicContact CG-CE2 3.66Å; E212-F241 HydrophobicContact CG-CZ 4.41Å; M215-F241 HydrophobicContact CB-CD1 3.44Å; M215-F241 VanDerWaalsContact CB-CD1 3.44Å; M215-F241 HydrophobicContact CB-CD2 4.45Å; M215-F241 HydrophobicContact CB-CE1 3.56Å; M215-F241 HydrophobicContact CB-CG 3.91Å; M215-F241 HydrophobicContact CB-CZ 4.16Å; M215-F241 HydrophobicContact CE-CB 4.05Å; M215-F241 HydrophobicContact CE-CD1 4.4Å; M215-F241 HydrophobicContact CG-CB 4.35Å; M215-F241 HydrophobicContact CG-CD1 4.11Å; M215-F241 HydrophobicContact CG-CG 4.11Å; N216-F241 WeakPolarHBondContact OD1-CE1 3.38Å; A237-F241 WeakPolarHBondContact O-CD2 3.3Å; V238-F241 CarbonylContact O-C 3.53Å; V238-F241 PolarHBondContact O-N 3.31Å; S239-F241 PolarHBondContact O-N 3.08Å; F241-D247 WeakPolarHBondContact O-CB 3.47Å
242	S	74.8	Confident	83.6	Confident	62 Å²	62	70 Å²	70	43%	0.434	38%	0.384	S	S	.	.	S	Bend	trans	-101.5	-7.2	-179	-60.9	0	0	0	0	113.7	V238 S239	V238-S242 PolarHBondContact O-N 3.1Å; V238-S242 PolarHBondContact O-OG 3.44Å; S239-S242 WeakPolarHBondContact CA-OG 3.45Å; S239-S242 PolarHBondContact O-N 2.9Å
243	S	73.1	Confident	83.4	Confident	93 Å²	93	67.8 Å²	67.8	65%	0.65	37%	0.371	S	S	*	.	S	Bend	trans	-90.4	-33.7	-171.8	50.6	0	0	0	0	114.4
244	E	70.2	Confident	83.5	Confident	98 Å²	98	68 Å²	68	46%	0.458	37%	0.372	S	S	.	.	S	Bend	trans	-87.5	144.7	-175.2	-60.6	-143.9	164.3	0	0	112.9	T246 D247 K248	E244-T246 VanDerWaalsContact C-N 3.3Å; E244-T246 PolarHBondContact O-N 3.32Å; E244-D247 PolarHBondContact O-N 2.83Å; E244-D247 VanDerWaalsContact O-N 3.1Å; E244-K248 PolarHBondContact O-N 2.86Å
245	P	67.2	Low	83.7	Confident	103 Å²	103	65.7 Å²	65.7	67%	0.669	36%	0.359	S	S	*	.	H	α-helix	trans	-57.9	-40.5	179.8	-22.8	32.1	0	0	0	113.3	D247 K248	P245-D247 PolarHBondContact O-N 3.33Å; P245-K248 WeakPolarHBondContact O-CB 3.3Å; P245-K248 PolarHBondContact O-N 2.93Å; P245-K248 VanDerWaalsContact O-N 3.07Å
246	T	67	Low	83.8	Confident	69 Å²	69	61.8 Å²	61.8	42%	0.423	35%	0.351	S	S	.	.	H	α-helix	trans	-62.2	-27	178.5	44	0	0	0	0	113	E244	E244-T246 VanDerWaalsContact C-N 3.3Å; E244-T246 PolarHBondContact O-N 3.32Å
247	D	68.8	Low	83.9	Confident	7 Å²	7	61.3 Å²	61.3	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-82.9	-24.8	177.1	-57.8	-35.5	0	0	0	111.9	M215 R219 F241 E244 P245 D249 V250	M215-D247 HydrophobicContact CE-CB 3.78Å; R219-D247 IonicContact CZ-OD1 3.79Å; R219-D247 IonicContact CZ-OD2 3.58Å; R219-D247 IonicContact NE-OD1 3.07Å; R219-D247 PolarHBondContact NE-OD1 3.36Å; R219-D247 VanDerWaalsContact NE-OD1 3.07Å; R219-D247 IonicContact NE-OD2 3.62Å; R219-D247 IonicContact NH2-OD1 3.63Å; R219-D247 IonicContact NH2-OD2 2.71Å; R219-D247 PolarHBondContact NH2-OD2 2.9Å; F241-D247 WeakPolarHBondContact O-CB 3.47Å; E244-D247 PolarHBondContact O-N 2.83Å; E244-D247 VanDerWaalsContact O-N 3.1Å; P245-D247 PolarHBondContact O-N 3.33Å; D247-D249 PolarHBondContact O-N 3.37Å; D247-V250 PolarHBondContact O-N 3.29Å
248	K	68.4	Low	84	Confident	152 Å²	152	61.6 Å²	61.6	66%	0.661	34%	0.342	S	S	*	.	H	α-helix	trans	-69.7	-19	179.7	-68.4	-175.6	-179.2	-178.9	0	114	E244 P245 V250	E244-K248 PolarHBondContact O-N 2.86Å; P245-K248 WeakPolarHBondContact O-CB 3.3Å; P245-K248 PolarHBondContact O-N 2.93Å; P245-K248 VanDerWaalsContact O-N 3.07Å; K248-V250 PolarHBondContact O-N 3.17Å
249	D	82	Confident	84	Confident	114 Å²	114	61.2 Å²	61.2	61%	0.61	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.7	175.5	-68.5	-20.9	0	0	0	112.9	D247	D247-D249 PolarHBondContact O-N 3.37Å
250	V	88.2	Confident	84.2	Confident	10 Å²	10	65.7 Å²	65.7	6%	0.061	35%	0.345	C	S	.	.	S	Bend	trans	-98.5	116.5	177.9	-175.4	0	0	0	0	110	M215 R218 R226 I228 D247 K248 V252	M215-V250 HydrophobicContact CE-CB 4.32Å; M215-V250 HydrophobicContact CE-CG2 4.25Å; M215-V250 HydrophobicContact SD-CB 4.33Å; M215-V250 HydrophobicContact SD-CG1 4.14Å; M215-V250 HydrophobicContact SD-CG2 4.32Å; R218-V250 HydrophobicContact CG-CG2 4.13Å; R226-V250 CarbonylContact O-C 3.38Å; R226-V250 WeakPolarHBondContact O-CA 3.24Å; I228-V250 HydrophobicContact CD1-CG1 4.1Å; I228-V250 HydrophobicContact CG1-CG1 4.05Å; D247-V250 PolarHBondContact O-N 3.29Å; K248-V250 PolarHBondContact O-N 3.17Å; V250-V252 HydrophobicContact CG1-CG2 4.34Å; V250-V252 PolarHBondContact O-N 2.83Å
251	S	90.5	Very high	84.2	Confident	55 Å²	55	64.1 Å²	64.1	39%	0.385	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	117	169.9	-175.8	0	0	0	0	110.1	R226 R227 I228	R226-S251 PolarHBondContact O-N 3.5Å; R227-S251 CarbonylContact C-O 3.55Å; R227-S251 VanDerWaalsContact CA-O 3.26Å; R227-S251 WeakPolarHBondContact CA-O 3.3Å; I228-S251 PolarHBondContact N-O 3.36Å
252	V	93.2	Very high	84.3	Confident	44 Å²	44	63.6 Å²	63.6	27%	0.267	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.8	173.6	-171.3	0	0	0	0	108.9	F211 I228 F233 V238 V250	F211-V252 HydrophobicContact CD2-CG1 4.47Å; F211-V252 HydrophobicContact CE2-CG1 3.99Å; F211-V252 HydrophobicContact CE2-CG2 3.64Å; F211-V252 HydrophobicContact CZ-CG2 4.14Å; I228-V252 WeakPolarHBondContact O-CA 3.09Å; F233-V252 HydrophobicContact CE2-CG1 4.29Å; V238-V252 HydrophobicContact CG1-CG1 4.41Å; V238-V252 HydrophobicContact CG2-CG1 3.99Å; V250-V252 HydrophobicContact CG1-CG2 4.34Å; V250-V252 PolarHBondContact O-N 2.83Å
253	E	92.6	Very high	84.7	Confident	23 Å²	23	65 Å²	65	11%	0.107	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.8	180	62	175.2	-175.1	0	0	112.7	R227 I228 I229 L230 L258 R261	R227-E253 IonicContact CZ-OE1 2.72Å; R227-E253 IonicContact NE-OE1 2.84Å; R227-E253 PolarHBondContact NE-OE1 2.99Å; R227-E253 IonicContact NH2-OE1 3.03Å; R227-E253 PolarHBondContact NH2-OE1 3.29Å; R227-E253 IonicContact NH2-OE2 3.9Å; I228-E253 PolarHBondContact O-N 3.44Å; I229-E253 HydrophobicContact CB-CG 4.29Å; I229-E253 WeakPolarHBondContact CD1-OE1 3.08Å; I229-E253 HydrophobicContact CG1-CG 4.01Å; I229-E253 VanDerWaalsContact CG1-OE1 3.27Å; I229-E253 WeakPolarHBondContact CG1-OE1 3.09Å; I229-E253 HydrophobicContact CG2-CG 4.17Å; L230-E253 PolarHBondContact N-O 3.22Å; E253-L258 WeakPolarHBondContact OE1-CD2 3.21Å; E253-R261 IonicContact OE2-NH2 2.69Å; E253-R261 PolarHBondContact OE2-NH2 3Å
254	K	96.3	Very high	84.9	Confident	70 Å²	70	64.9 Å²	64.9	30%	0.304	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.6	172.6	-69.8	172.4	-179.9	174.8	0	109.2	F233 A256 D257 L258	F233-K254 HydrophobicContact CB-CD 4.41Å; F233-K254 HydrophobicContact CB-CG 3.8Å; F233-K254 HydrophobicContact CD1-CD 4.25Å; F233-K254 HydrophobicContact CD1-CG 4.1Å; F233-K254 HydrophobicContact CD2-CB 4.22Å; F233-K254 HydrophobicContact CD2-CD 4.18Å; F233-K254 HydrophobicContact CD2-CG 3.19Å; F233-K254 HydrophobicContact CE1-CG 4.46Å; F233-K254 HydrophobicContact CE2-CD 4.47Å; F233-K254 HydrophobicContact CE2-CG 3.64Å; F233-K254 HydrophobicContact CG-CD 4.04Å; F233-K254 VanDerWaalsContact CG-CE 3.49Å; F233-K254 HydrophobicContact CG-CG 3.43Å; F233-K254 VanDerWaalsContact CG-CG 3.43Å; F233-K254 HydrophobicContact CZ-CG 4.26Å; K254-A256 PolarHBondContact O-N 3.21Å; K254-D257 HydrophobicContact CB-CB 3.89Å; K254-D257 WeakPolarHBondContact CD-OD2 3.36Å; K254-D257 PolarHBondContact O-N 2.78Å; K254-L258 PolarHBondContact O-N 2.59Å
255	Y	97	Very high	84.7	Confident	15 Å²	15	63.6 Å²	63.6	6%	0.059	34%	0.336	C	S	.	.	H	α-helix	trans	-54.8	-43.3	173	-174.4	-88.8	0	0	0	111.3	L138 E164 S168 I204 I229 L230 I231 D257 L258 M259	L138-Y255 HydrophobicContact CD2-CE2 3.97Å; L138-Y255 VanDerWaalsContact CD2-OH 3.3Å; L138-Y255 WeakPolarHBondContact CD2-OH 3.24Å; E164-Y255 HydrophobicContact CB-CE1 4.09Å; E164-Y255 HydrophobicContact CG-CD1 4.39Å; E164-Y255 HydrophobicContact CG-CE1 4Å; E164-Y255 PolarHBondContact O-OH 2.88Å; S168-Y255 VanDerWaalsContact OG-CE2 3.28Å; S168-Y255 WeakPolarHBondContact OG-CE2 3.43Å; S168-Y255 PolarHBondContact OG-OH 2.98Å; I204-Y255 HydrophobicContact CG2-CD2 4.26Å; I204-Y255 HydrophobicContact CG2-CE2 4.41Å; I229-Y255 HydrophobicContact CG2-CD2 3.91Å; I229-Y255 HydrophobicContact CG2-CG 4.49Å; L230-Y255 WeakPolarHBondContact O-CB 3.47Å; L230-Y255 PolarHBondContact O-N 3.11Å; I231-Y255 HydrophobicContact CG1-CD2 4.16Å; I231-Y255 HydrophobicContact CG1-CG 4.24Å; Y255-D257 VanDerWaalsContact C-N 3.3Å; Y255-D257 PolarHBondContact O-N 3.37Å; Y255-L258 PolarHBondContact O-N 2.82Å; Y255-M259 HydrophobicContact CD1-CG 3.77Å; Y255-M259 HydrophobicContact CE1-CG 3.46Å; Y255-M259 VanDerWaalsContact CE1-CG 3.46Å; Y255-M259 HydrophobicContact CE1-SD 3.99Å; Y255-M259 WeakPolarHBondContact O-CB 3.42Å; Y255-M259 VanDerWaalsContact O-CG 3.31Å; Y255-M259 WeakPolarHBondContact O-CG 3.42Å; Y255-M259 PolarHBondContact O-N 3.15Å
256	A	95.4	Very high	84	Confident	59 Å²	59	66.8 Å²	66.8	49%	0.488	35%	0.347	S	S	.	.	H	α-helix	trans	-61.9	-33.9	177.3	0	0	0	0	0	113.4	K254 R260	K254-A256 PolarHBondContact O-N 3.21Å; A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-N 2.89Å
257	D	94.4	Very high	83.3	Confident	43 Å²	43	66 Å²	66	23%	0.23	35%	0.353	C	S	.	.	H	α-helix	trans	-75.3	-40.5	178	-65.7	1	0	0	0	110.7	K254 Y255 M259 R260 R261	K254-D257 HydrophobicContact CB-CB 3.89Å; K254-D257 WeakPolarHBondContact CD-OD2 3.36Å; K254-D257 PolarHBondContact O-N 2.78Å; Y255-D257 VanDerWaalsContact C-N 3.3Å; Y255-D257 PolarHBondContact O-N 3.37Å; D257-M259 VanDerWaalsContact C-N 3.34Å; D257-R260 PolarHBondContact O-N 3.43Å; D257-R260 IonicContact OD1-CZ 3.61Å; D257-R260 IonicContact OD1-NE 3.85Å; D257-R260 IonicContact OD1-NH2 2.63Å; D257-R260 PolarHBondContact OD1-NH2 2.99Å; D257-R261 WeakPolarHBondContact O-CG 3.42Å; D257-R261 PolarHBondContact O-N 2.76Å
258	L	93.3	Very high	82.7	Confident	8 Å²	8	75.3 Å²	75.3	4%	0.042	40%	0.396	C	S	.	.	H	α-helix	trans	-58.8	-47.1	173	179.7	65.4	0	0	0	110.9	L138 A141 L142 I229 E253 K254 Y255 R261 A262	L138-L258 HydrophobicContact CD1-CD2 3.46Å; L138-L258 VanDerWaalsContact CD1-CD2 3.46Å; L138-L258 HydrophobicContact CD1-CG 3.92Å; A141-L258 HydrophobicContact CB-CD1 3.89Å; L142-L258 HydrophobicContact CD2-CD2 4.23Å; I229-L258 HydrophobicContact CD1-CD2 3.83Å; I229-L258 HydrophobicContact CG2-CD2 3.95Å; E253-L258 WeakPolarHBondContact OE1-CD2 3.21Å; K254-L258 PolarHBondContact O-N 2.59Å; Y255-L258 PolarHBondContact O-N 2.82Å; L258-R261 PolarHBondContact O-N 3.35Å; L258-A262 WeakPolarHBondContact O-CB 3.39Å; L258-A262 PolarHBondContact O-N 2.81Å
259	M	92.9	Very high	82.7	Confident	15 Å²	15	70.6 Å²	70.6	7%	0.074	38%	0.38	C	S	.	.	H	α-helix	trans	-58.5	-49.5	176.2	-73.6	-58.9	-59.7	0	0	111.8	Q134 L138 Y255 D257 R261 A262 E263	Q134-M259 HydrophobicContact CB-CE 3.57Å; Q134-M259 HydrophobicContact CG-CE 3.73Å; L138-M259 HydrophobicContact CB-SD 3.81Å; L138-M259 HydrophobicContact CD1-SD 4Å; L138-M259 HydrophobicContact CD2-SD 3.91Å; L138-M259 HydrophobicContact CG-SD 4.12Å; Y255-M259 HydrophobicContact CD1-CG 3.77Å; Y255-M259 HydrophobicContact CE1-CG 3.46Å; Y255-M259 VanDerWaalsContact CE1-CG 3.46Å; Y255-M259 HydrophobicContact CE1-SD 3.99Å; Y255-M259 WeakPolarHBondContact O-CB 3.42Å; Y255-M259 VanDerWaalsContact O-CG 3.31Å; Y255-M259 WeakPolarHBondContact O-CG 3.42Å; Y255-M259 PolarHBondContact O-N 3.15Å; D257-M259 VanDerWaalsContact C-N 3.34Å; M259-R261 PolarHBondContact O-N 3.45Å; M259-A262 WeakPolarHBondContact O-CB 3.36Å; M259-A262 PolarHBondContact O-N 3.1Å; M259-A262 VanDerWaalsContact O-N 3.15Å; M259-E263 WeakPolarHBondContact O-CG 3.43Å; M259-E263 PolarHBondContact O-N 2.76Å
260	R	91.6	Very high	82.7	Confident	164 Å²	164	69 Å²	69	62%	0.619	37%	0.371	S	S	*	.	H	α-helix	trans	-59.2	-44.5	177.8	-77.3	-172.8	-67.8	161.9	-5.2	112.5	A256 D257 A262 E263 S264	A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-N 2.89Å; D257-R260 PolarHBondContact O-N 3.43Å; D257-R260 IonicContact OD1-CZ 3.61Å; D257-R260 IonicContact OD1-NE 3.85Å; D257-R260 IonicContact OD1-NH2 2.63Å; D257-R260 PolarHBondContact OD1-NH2 2.99Å; R260-A262 VanDerWaalsContact C-N 3.34Å; R260-E263 PolarHBondContact O-N 3.29Å; R260-S264 PolarHBondContact O-N 3.35Å
261	R	88.6	Confident	82.6	Confident	126 Å²	126	70.9 Å²	70.9	48%	0.475	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-42.4	175.6	-72.4	-171.1	-60.7	-113.4	5.2	111.3	E253 D257 L258 M259 E263 S264	E253-R261 IonicContact OE2-NH2 2.69Å; E253-R261 PolarHBondContact OE2-NH2 3Å; D257-R261 WeakPolarHBondContact O-CG 3.42Å; D257-R261 PolarHBondContact O-N 2.76Å; L258-R261 PolarHBondContact O-N 3.35Å; M259-R261 PolarHBondContact O-N 3.45Å; R261-E263 VanDerWaalsContact C-N 3.34Å; R261-E263 PolarHBondContact O-N 2.91Å; R261-S264 PolarHBondContact O-N 2.85Å; R261-S264 PolarHBondContact O-OG 3.28Å
262	A	85.1	Confident	82.6	Confident	5 Å²	5	73.5 Å²	73.5	4%	0.041	38%	0.384	C	S	.	.	H	α-helix	trans	-64.4	-37.4	-179.8	0	0	0	0	0	112.7	S137 A141 L258 M259 R260 S264	S137-A262 WeakPolarHBondContact CB-O 3.32Å; S137-A262 WeakPolarHBondContact O-CB 3.4Å; S137-A262 PolarHBondContact OG-O 3.29Å; A141-A262 HydrophobicContact CB-CB 3.87Å; L258-A262 WeakPolarHBondContact O-CB 3.39Å; L258-A262 PolarHBondContact O-N 2.81Å; M259-A262 WeakPolarHBondContact O-CB 3.36Å; M259-A262 PolarHBondContact O-N 3.1Å; M259-A262 VanDerWaalsContact O-N 3.15Å; R260-A262 VanDerWaalsContact C-N 3.34Å; A262-S264 VanDerWaalsContact C-N 3.33Å
263	E	82.4	Confident	82.6	Confident	92 Å²	92	74.9 Å²	74.9	43%	0.43	39%	0.394	S	S	.	.	H	α-helix	trans	-71.9	-25.7	176.6	-73.1	174.6	-177.4	0	0	113.2	M259 R260 R261 V265	M259-E263 WeakPolarHBondContact O-CG 3.43Å; M259-E263 PolarHBondContact O-N 2.76Å; R260-E263 PolarHBondContact O-N 3.29Å; R261-E263 VanDerWaalsContact C-N 3.34Å; R261-E263 PolarHBondContact O-N 2.91Å; E263-V265 VanDerWaalsContact C-N 3.27Å; E263-V265 PolarHBondContact O-N 3Å
264	S	77	Confident	82.7	Confident	91 Å²	91	74.1 Å²	74.1	64%	0.636	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.5	178.7	69.8	0	0	0	0	114.5	R260 R261 A262 D266	R260-S264 PolarHBondContact O-N 3.35Å; R261-S264 PolarHBondContact O-N 2.85Å; R261-S264 PolarHBondContact O-OG 3.28Å; A262-S264 VanDerWaalsContact C-N 3.33Å; S264-D266 PolarHBondContact O-N 2.64Å; S264-D266 VanDerWaalsContact O-N 3.13Å
265	V	66.4	Low	82.7	Confident	71 Å²	71	77 Å²	77	43%	0.43	41%	0.405	S	S	.	.			trans	-80.6	94.3	176.6	-175.7	0	0	0	0	108.6	L140 E263 G267	L140-V265 HydrophobicContact CD2-CG1 4.33Å; E263-V265 VanDerWaalsContact C-N 3.27Å; E263-V265 PolarHBondContact O-N 3Å; V265-G267 PolarHBondContact O-N 2.75Å
266	D	52.4	Low	82.8	Confident	170 Å²	170	77.3 Å²	77.3	91%	0.909	41%	0.41	S	S	*	.			trans	-72.2	120.2	175.6	-135	-7.7	0	0	0	109.9	S264	S264-D266 PolarHBondContact O-N 2.64Å; S264-D266 VanDerWaalsContact O-N 3.13Å
267	G	52.8	Low	82.9	Confident	53 Å²	53	78.9 Å²	78.9	55%	0.546	42%	0.417	S	S	.	.	S	Bend	trans	160.4	158.5	-179.6	0	0	0	0	0	113.6	V265 V269	V265-G267 PolarHBondContact O-N 2.75Å; G267-V269 PolarHBondContact O-N 3.34Å; G267-V269 VanDerWaalsContact O-N 3.1Å
268	Q	57	Low	83	Confident	201 Å²	201	78.5 Å²	78.5	94%	0.939	42%	0.416	S	S	*	.			trans	-52.1	119.6	169.1	-90.8	-178.8	-25.6	0	0	108.8	D270	Q268-D270 PolarHBondContact O-N 3.36Å
269	V	68.6	Low	83.2	Confident	53 Å²	53	80.3 Å²	80.3	32%	0.321	43%	0.426	S	S	.	.			trans	-66.4	104.6	-179.2	-173.4	0	0	0	0	108.4	L136 G267 V271	L136-V269 HydrophobicContact CB-CB 4.2Å; L136-V269 HydrophobicContact CB-CG1 3.6Å; L136-V269 HydrophobicContact CB-CG2 4.15Å; L136-V269 HydrophobicContact CD1-CB 4.39Å; L136-V269 HydrophobicContact CD1-CG1 4.5Å; L136-V269 HydrophobicContact CD1-CG2 4.5Å; L136-V269 HydrophobicContact CD2-CG1 4.37Å; L136-V269 HydrophobicContact CG-CG1 4.37Å; L136-V269 WeakPolarHBondContact O-CG1 2.97Å; G267-V269 PolarHBondContact O-N 3.34Å; G267-V269 VanDerWaalsContact O-N 3.1Å; V269-V271 HydrophobicContact CG1-CG1 4.37Å; V269-V271 PolarHBondContact O-N 3.26Å
270	D	80.4	Confident	83.4	Confident	81 Å²	81	79.7 Å²	79.7	43%	0.433	42%	0.422	S	S	.	.			trans	-66.4	95.5	176.7	176.7	23.2	0	0	0	109.9	R143 Q175 Q268	R143-D270 IonicContact CZ-OD2 3.65Å; R143-D270 PolarHBondContact NH1-O 3.43Å; R143-D270 IonicContact NH1-OD1 3.49Å; R143-D270 IonicContact NH1-OD2 3.59Å; R143-D270 PolarHBondContact NH1-OD2 2.77Å; R143-D270 IonicContact NH2-OD2 3.58Å; R143-D270 PolarHBondContact NH2-OD2 3.13Å; Q175-D270 PolarHBondContact NE2-O 3.27Å; Q268-D270 PolarHBondContact O-N 3.36Å
271	V	87.3	Confident	83.8	Confident	49 Å²	49	71.9 Å²	71.9	30%	0.297	39%	0.393	S	S	.	.			trans	-87.6	141.9	175.3	-68.7	0	0	0	0	111	L136 V269 P273	L136-V271 HydrophobicContact CD2-CG1 3.44Å; L136-V271 VanDerWaalsContact CD2-CG1 3.44Å; V269-V271 HydrophobicContact CG1-CG1 4.37Å; V269-V271 PolarHBondContact O-N 3.26Å; V271-P273 WeakPolarHBondContact O-CD 3.32Å
272	R	90.6	Very high	84.2	Confident	111 Å²	111	65.9 Å²	65.9	42%	0.419	37%	0.37	S	S	.	.			trans	-118.3	76.4	169.4	-72	-179.5	-172	-172.1	0.5	107.9	S174 Q175 S176	S174-R272 CarbonylContact O-C 3.44Å; S174-R272 PolarHBondContact O-N 2.88Å; S174-R272 VanDerWaalsContact O-N 3.14Å; Q175-R272 CarbonylContact C-O 3.49Å; Q175-R272 VanDerWaalsContact C-O 3.24Å; Q175-R272 WeakPolarHBondContact CA-O 3.44Å; S176-R272 PolarHBondContact N-O 3.49Å; S176-R272 PolarHBondContact OG-O 2.88Å
273	P	91.9	Very high	84.7	Confident	73 Å²	73	65.8 Å²	65.8	47%	0.474	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-61.4	148.4	-174.3	27.5	-34.8	0	0	0	110.3	Y97 S176 V271	Y97-P273 HydrophobicContact CD1-CB 4.06Å; Y97-P273 HydrophobicContact CE1-CB 4.38Å; S176-P273 VanDerWaalsContact OG-C 3.31Å; S176-P273 PolarHBondContact OG-O 3.32Å; V271-P273 WeakPolarHBondContact O-CD 3.32Å
274	P	95.5	Very high	85.2	Confident	7 Å²	7	61.4 Å²	61.4	5%	0.045	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-75.2	155.7	-177.9	29.6	-31.8	0	0	0	111.2	T95 T173 S176 T278 H299	T95-P274 HydrophobicContact CG2-CG 4.16Å; T95-P274 WeakPolarHBondContact CG2-O 3.18Å; T173-P274 VanDerWaalsContact O-CD 3.29Å; T173-P274 WeakPolarHBondContact O-CD 3.46Å; S176-P274 WeakPolarHBondContact OG-CA 3.26Å; P274-T278 HydrophobicContact CB-CG2 4.03Å; P274-H299 WeakPolarHBondContact CB-CD2 3.48Å; P274-H299 VanDerWaalsContact CB-NE2 3.34Å; P274-H299 WeakPolarHBondContact CB-NE2 3.45Å; P274-H299 WeakPolarHBondContact CG-NE2 3.47Å
275	E	97.1	Very high	85.4	Confident	129 Å²	129	58.1 Å²	58.1	60%	0.603	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-86	160.6	162.7	-68.9	-62.9	153.8	0	0	109.6	S277 T278	E275-S277 PolarHBondContact O-N 2.89Å; E275-S277 VanDerWaalsContact O-N 3.14Å; E275-T278 PolarHBondContact N-OG1 3.38Å; E275-T278 VanDerWaalsContact O-CB 3.26Å; E275-T278 WeakPolarHBondContact O-CB 3.27Å; E275-T278 PolarHBondContact O-N 3.4Å; E275-T278 PolarHBondContact O-OG1 3.37Å
276	P	97.8	Very high	85.4	Confident	23 Å²	23	58 Å²	58	15%	0.149	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.5	179	-27.2	36.3	0	0	0	114	T95 H299 R300	T95-P276 HydrophobicContact CG2-CG 4.47Å; P276-H299 PolarHBondContact O-N 2.63Å; P276-R300 HydrophobicContact CB-CB 4.08Å; P276-R300 VanDerWaalsContact O-CB 3.26Å; P276-R300 WeakPolarHBondContact O-CB 3.23Å; P276-R300 PolarHBondContact O-N 2.97Å
277	S	97.4	Very high	85.5	Confident	91 Å²	91	51 Å²	51	64%	0.636	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-11.7	177.7	51.8	0	0	0	0	114	E275	E275-S277 PolarHBondContact O-N 2.89Å; E275-S277 VanDerWaalsContact O-N 3.14Å
278	T	96.9	Very high	85.2	Confident	36 Å²	36	51.5 Å²	51.5	22%	0.221	29%	0.29	C	S	.	.	S	Bend	trans	-62.7	139.8	177.9	-60.2	0	0	0	0	110.1	P274 E275 H280 T298 H299	P274-T278 HydrophobicContact CB-CG2 4.03Å; E275-T278 PolarHBondContact N-OG1 3.38Å; E275-T278 VanDerWaalsContact O-CB 3.26Å; E275-T278 WeakPolarHBondContact O-CB 3.27Å; E275-T278 PolarHBondContact O-N 3.4Å; E275-T278 PolarHBondContact O-OG1 3.37Å; T278-H280 PolarHBondContact O-N 3.25Å; T278-T298 VanDerWaalsContact O-CA 3.31Å; T278-T298 WeakPolarHBondContact O-CA 3.32Å; T278-H299 PolarHBondContact O-CD2 2.93Å; T278-H299 PolarHBondContact O-N 2.87Å
279	I	97.7	Very high	84.9	Confident	46 Å²	46	45.2 Å²	45.2	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	121.1	175.2	-58.4	179.2	0	0	0	108.5	P178 I282 I296	P178-I279 HydrophobicContact CB-CB 4.3Å; P178-I279 HydrophobicContact CB-CG2 3.99Å; P178-I279 HydrophobicContact CG-CB 4.21Å; P178-I279 HydrophobicContact CG-CG2 4.45Å; I279-I282 HydrophobicContact CG2-CG1 3.98Å; I279-I296 HydrophobicContact CD1-CG2 4.02Å; I279-I296 HydrophobicContact CG1-CG2 3.88Å; I279-I296 HydrophobicContact CG2-CG2 4.22Å
280	H	98.2	Very high	84.5	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.009	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-54.6	173	176.4	-145.6	0	0	0	110.2	I179 T278 I297 H299 S302	I179-H280 PolarHBondContact N-O 3.05Å; T278-H280 PolarHBondContact O-N 3.25Å; H280-I297 WeakPolarHBondContact CA-O 3.38Å; H280-I297 WeakPolarHBondContact CB-O 3.36Å; H280-I297 PolarHBondContact N-O 2.71Å; H280-H299 AromaticContact CD2-CE1 3.55Å; H280-H299 AromaticContact CG-CE1 3.68Å; H280-H299 AromaticContact CG-ND1 3.87Å; H280-S302 PolarHBondContact ND1-OG 3.07Å
281	L	98.4	Very high	84.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.1	-176.9	-48.6	171.1	0	0	0	111.6	I179 I297 I335 Q338	I179-L281 HydrophobicContact CB-CD2 3.83Å; I179-L281 HydrophobicContact CD1-CD2 4.08Å; I179-L281 HydrophobicContact CG1-CD2 4.46Å; I179-L281 HydrophobicContact CG2-CD2 4.35Å; I179-L281 CarbonylContact O-C 3.53Å; I179-L281 WeakPolarHBondContact O-CA 3.3Å; L281-I297 HydrophobicContact CB-CB 4.09Å; L281-I297 HydrophobicContact CB-CG1 4.43Å; L281-I297 PolarHBondContact N-O 3.47Å; L281-I297 PolarHBondContact O-N 3.08Å; L281-I335 HydrophobicContact CD1-CD1 4.25Å; L281-Q338 HydrophobicContact CD1-CB 4.12Å; L281-Q338 HydrophobicContact CD1-CG 3.73Å
282	I	98	Very high	84	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	93.2	161	-53	170.3	0	0	0	107.4	P154 I179 V180 I279 Y284 V295 Y531	P154-I282 HydrophobicContact CB-CD1 4.37Å; P154-I282 HydrophobicContact CG-CD1 4.16Å; I179-I282 PolarHBondContact O-N 3.21Å; V180-I282 HydrophobicContact CG2-CB 4.17Å; V180-I282 HydrophobicContact CG2-CD1 4.14Å; I279-I282 HydrophobicContact CG2-CG1 3.98Å; I282-Y284 HydrophobicContact CG2-CD2 4.33Å; I282-Y284 HydrophobicContact CG2-CE2 3.74Å; I282-Y284 PolarHBondContact O-N 3.26Å; I282-V295 CarbonylContact C-O 3.56Å; I282-V295 WeakPolarHBondContact CA-O 3.19Å; I282-Y531 HydrophobicContact CD1-CD1 4.25Å; I282-Y531 HydrophobicContact CD1-CD2 3.67Å; I282-Y531 HydrophobicContact CD1-CE1 4.22Å; I282-Y531 HydrophobicContact CD1-CE2 3.64Å; I282-Y531 HydrophobicContact CD1-CG 3.97Å; I282-Y531 HydrophobicContact CG1-CD2 4.28Å; I282-Y531 HydrophobicContact CG2-CG 4.12Å
283	C	96.3	Very high	84	Confident	2 Å²	2	37 Å²	37	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	108.5	-174.4	-73.9	0	0	0	0	111	T285 V295 T472	C283-T285 PolarHBondContact O-N 3.41Å; C283-V295 PolarHBondContact N-O 2.86Å; C283-V295 PolarHBondContact O-N 3.06Å; C283-T472 HydrophobicContact CB-CG2 3.66Å
284	Y	91.9	Very high	84.1	Confident	1 Å²	1	33.6 Å²	33.6	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.3	177.2	-77	-92.8	0	0	0	112.5	V180 Y183 I194 N197 A198 I282 P292 K293 G294	V180-Y284 HydrophobicContact CG1-CD2 3.91Å; V180-Y284 HydrophobicContact CG1-CE2 3.68Å; Y183-Y284 WeakPolarHBondContact CE2-O 3.23Å; I194-Y284 HydrophobicContact CB-CD2 4.46Å; I194-Y284 HydrophobicContact CB-CE1 4.47Å; I194-Y284 HydrophobicContact CB-CE2 4.38Å; I194-Y284 HydrophobicContact CD1-CD1 4.25Å; I194-Y284 HydrophobicContact CD1-CD2 4.34Å; I194-Y284 HydrophobicContact CD1-CG 3.89Å; I194-Y284 HydrophobicContact CG1-CD1 3.62Å; I194-Y284 HydrophobicContact CG1-CD2 4.05Å; I194-Y284 HydrophobicContact CG1-CE1 3.92Å; I194-Y284 HydrophobicContact CG1-CE2 4.34Å; I194-Y284 HydrophobicContact CG1-CG 3.67Å; I194-Y284 HydrophobicContact CG2-CD2 3.64Å; I194-Y284 HydrophobicContact CG2-CE1 4.39Å; I194-Y284 HydrophobicContact CG2-CE2 3.48Å; I194-Y284 VanDerWaalsContact CG2-CE2 3.48Å; I194-Y284 HydrophobicContact CG2-CG 4.18Å; N197-Y284 PolarHBondContact OD1-OH 3.05Å; A198-Y284 HydrophobicContact CB-CE2 4.34Å; A198-Y284 WeakPolarHBondContact CB-OH 3.41Å; A198-Y284 PolarHBondContact N-OH 2.88Å; I282-Y284 HydrophobicContact CG2-CD2 4.33Å; I282-Y284 HydrophobicContact CG2-CE2 3.74Å; I282-Y284 PolarHBondContact O-N 3.26Å; Y284-P292 HydrophobicContact CD1-CB 3.95Å; Y284-P292 HydrophobicContact CG-CB 4.46Å; Y284-K293 CarbonylContact C-O 3.48Å; Y284-K293 VanDerWaalsContact CA-O 3.28Å; Y284-K293 WeakPolarHBondContact CA-O 3.47Å; Y284-G294 VanDerWaalsContact CD1-N 3.32Å
285	T	81.5	Confident	84.2	Confident	22 Å²	22	33.3 Å²	33.3	14%	0.135	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	135.3	176.5	68.1	0	0	0	0	110.7	C283 G287 P292 K293 V295 T472	C283-T285 PolarHBondContact O-N 3.41Å; T285-G287 PolarHBondContact O-N 3.5Å; T285-P292 CarbonylContact O-C 3.57Å; T285-P292 WeakPolarHBondContact O-CA 3.28Å; T285-K293 PolarHBondContact N-O 3.39Å; T285-K293 PolarHBondContact O-N 3.09Å; T285-V295 HydrophobicContact CG2-CG2 3.91Å; T285-T472 HydrophobicContact CG2-CG2 3.77Å; T285-T472 WeakPolarHBondContact CG2-OG1 3.36Å
286	S	66.3	Low	84.2	Confident	69 Å²	69	28.4 Å²	28.4	48%	0.483	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	94.3	170.3	53.5	0	0	0	0	108.9
287	G	55.2	Low	84.3	Confident	21 Å²	21	27.3 Å²	27.3	22%	0.216	19%	0.185	C	C	.	.			trans	-74.9	170.6	175.9	0	0	0	0	0	112.8	T285 T289 G290	T285-G287 PolarHBondContact O-N 3.5Å; G287-T289 PolarHBondContact O-N 2.92Å; G287-G290 PolarHBondContact O-N 3.36Å
288	S	46.1	Very low	84.3	Confident	64 Å²	64	23.7 Å²	23.7	45%	0.448	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.9	174.8	61.9	0	0	0	0	114.1	K568	S288-K568 WeakPolarHBondContact OG-CD 3.26Å; S288-K568 PolarHBondContact OG-NZ 2.92Å
289	T	50.9	Low	84.4	Confident	70 Å²	70	22.1 Å²	22.1	43%	0.429	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	10.6	-172.8	52.8	0	0	0	0	113.9	G287 S291	G287-T289 PolarHBondContact O-N 2.92Å; T289-S291 PolarHBondContact O-N 3.09Å; T289-S291 VanDerWaalsContact O-N 3.16Å
290	G	59.6	Low	84.4	Confident	40 Å²	40	25.5 Å²	25.5	41%	0.412	16%	0.159	S	C	.	.	S	Bend	trans	88.3	-55	174.5	0	0	0	0	0	114.4	G287	G287-G290 PolarHBondContact O-N 3.36Å
291	S	73.5	Confident	84.3	Confident	53 Å²	53	25.9 Å²	25.9	37%	0.371	16%	0.161	S	C	.	.	S	Bend	trans	-84.8	136.5	-179.4	-57.8	0	0	0	0	112.6	T289	T289-S291 PolarHBondContact O-N 3.09Å; T289-S291 VanDerWaalsContact O-N 3.16Å
292	P	83.4	Confident	84.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	141.2	177.4	-22.9	32.7	0	0	0	113.4	F186 N190 H193 I194 Y284 T285	F186-P292 HydrophobicContact CE1-CG 4.33Å; N190-P292 HydrophobicContact CB-CG 3.91Å; N190-P292 WeakPolarHBondContact OD1-CD 3.38Å; H193-P292 PolarHBondContact CD2-O 3.18Å; H193-P292 PolarHBondContact NE2-O 3.4Å; H193-P292 VanDerWaalsContact NE2-O 3.14Å; I194-P292 HydrophobicContact CD1-CB 4.36Å; I194-P292 HydrophobicContact CD1-CG 4.44Å; I194-P292 HydrophobicContact CG1-CB 4.44Å; Y284-P292 HydrophobicContact CD1-CB 3.95Å; Y284-P292 HydrophobicContact CG-CB 4.46Å; T285-P292 CarbonylContact O-C 3.57Å; T285-P292 WeakPolarHBondContact O-CA 3.28Å
293	K	90	Very high	84.3	Confident	28 Å²	28	26.3 Å²	26.3	12%	0.122	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.3	177.8	-59.5	176.5	-71	167.9	0	110.2	Y284 T285 V295 Y530	Y284-K293 CarbonylContact C-O 3.48Å; Y284-K293 VanDerWaalsContact CA-O 3.28Å; Y284-K293 WeakPolarHBondContact CA-O 3.47Å; T285-K293 PolarHBondContact N-O 3.39Å; T285-K293 PolarHBondContact O-N 3.09Å; K293-V295 PolarHBondContact O-N 3.38Å; K293-Y530 HydrophobicContact CB-CD1 3.74Å; K293-Y530 HydrophobicContact CB-CE1 3.85Å; K293-Y530 HydrophobicContact CB-CG 4.31Å; K293-Y530 HydrophobicContact CD-CD2 4.48Å; K293-Y530 HydrophobicContact CD-CE1 4.22Å; K293-Y530 HydrophobicContact CD-CE2 4.17Å; K293-Y530 VanDerWaalsContact NZ-CZ 3.34Å; K293-Y530 PolarHBondContact NZ-OH 3.01Å
294	G	94.8	Very high	84.2	Confident	2 Å²	2	28 Å²	28	2%	0.021	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	101.9	-179.5	0	0	0	0	0	111.6	Y284 I296 Y530 Y531	Y284-G294 VanDerWaalsContact CD1-N 3.32Å; G294-I296 PolarHBondContact O-N 2.89Å; G294-Y530 CarbonylContact O-C 3.57Å; G294-Y530 WeakPolarHBondContact O-CA 3.28Å; G294-Y531 WeakPolarHBondContact O-CB 3.3Å; G294-Y531 PolarHBondContact O-N 3.39Å
295	V	97.2	Very high	84.4	Confident	0 Å²	0	28 Å²	28	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.7	175	-176	0	0	0	0	109.3	I282 C283 T285 K293 I297 T472 E473 T527 Y530	I282-V295 CarbonylContact C-O 3.56Å; I282-V295 WeakPolarHBondContact CA-O 3.19Å; C283-V295 PolarHBondContact N-O 2.86Å; C283-V295 PolarHBondContact O-N 3.06Å; T285-V295 HydrophobicContact CG2-CG2 3.91Å; K293-V295 PolarHBondContact O-N 3.38Å; V295-I297 HydrophobicContact CG1-CD1 3.82Å; V295-I297 HydrophobicContact CG1-CG1 4.48Å; V295-T472 HydrophobicContact CB-CG2 3.71Å; V295-T472 HydrophobicContact CG1-CG2 3.99Å; V295-T472 HydrophobicContact CG2-CG2 3.72Å; V295-E473 HydrophobicContact CG1-CG 4.43Å; V295-E473 HydrophobicContact CG2-CG 4.15Å; V295-T527 HydrophobicContact CG1-CG2 4.1Å; V295-Y530 HydrophobicContact CG2-CD1 3.98Å; V295-Y530 HydrophobicContact CG2-CE1 3.67Å
296	I	98.1	Very high	85	Confident	26 Å²	26	27.1 Å²	27.1	13%	0.133	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.9	175.5	-58.7	172.6	0	0	0	108.9	I279 G294 T527 P528 G529 Y531	I279-I296 HydrophobicContact CD1-CG2 4.02Å; I279-I296 HydrophobicContact CG1-CG2 3.88Å; I279-I296 HydrophobicContact CG2-CG2 4.22Å; G294-I296 PolarHBondContact O-N 2.89Å; I296-T527 WeakPolarHBondContact O-CB 3.19Å; I296-T527 PolarHBondContact O-OG1 3.11Å; I296-P528 HydrophobicContact CB-CG 3.86Å; I296-P528 HydrophobicContact CG2-CG 3.58Å; I296-P528 WeakPolarHBondContact O-CD 3.42Å; I296-G529 PolarHBondContact N-O 3.26Å; I296-Y531 HydrophobicContact CD1-CD2 4.41Å; I296-Y531 HydrophobicContact CG1-CD2 4.29Å
297	I	98.4	Very high	86.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	117	173.3	-52.4	-67.8	0	0	0	107.9	H280 L281 V295 N301 S302 I335 T472 T475	H280-I297 WeakPolarHBondContact CA-O 3.38Å; H280-I297 WeakPolarHBondContact CB-O 3.36Å; H280-I297 PolarHBondContact N-O 2.71Å; L281-I297 HydrophobicContact CB-CB 4.09Å; L281-I297 HydrophobicContact CB-CG1 4.43Å; L281-I297 PolarHBondContact N-O 3.47Å; L281-I297 PolarHBondContact O-N 3.08Å; V295-I297 HydrophobicContact CG1-CD1 3.82Å; V295-I297 HydrophobicContact CG1-CG1 4.48Å; I297-N301 HydrophobicContact CG2-CB 4.09Å; I297-S302 WeakPolarHBondContact CG2-OG 3.25Å; I297-I335 HydrophobicContact CD1-CD1 4.35Å; I297-I335 HydrophobicContact CG1-CD1 4.2Å; I297-I335 HydrophobicContact CG2-CD1 4.44Å; I297-T472 WeakPolarHBondContact CD1-O 3.5Å; I297-T475 HydrophobicContact CD1-CG2 4.33Å; I297-T475 WeakPolarHBondContact CD1-OG1 3.43Å; I297-T475 HydrophobicContact CG2-CG2 3.71Å
298	T	98.4	Very high	88.1	Confident	16 Å²	16	23.3 Å²	23.3	10%	0.098	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	166	175.5	66.6	0	0	0	0	111.6	T278 R300 N301 S302 P528	T278-T298 VanDerWaalsContact O-CA 3.31Å; T278-T298 WeakPolarHBondContact O-CA 3.32Å; T298-R300 VanDerWaalsContact C-N 3.28Å; T298-R300 PolarHBondContact O-N 2.98Å; T298-N301 WeakPolarHBondContact CB-OD1 3.49Å; T298-N301 PolarHBondContact N-OD1 3.12Å; T298-N301 PolarHBondContact O-N 3.46Å; T298-N301 PolarHBondContact OG1-N 3.01Å; T298-N301 VanDerWaalsContact OG1-N 3.13Å; T298-N301 PolarHBondContact OG1-OD1 3.46Å; T298-S302 PolarHBondContact O-N 2.85Å; T298-S302 VanDerWaalsContact O-N 3.08Å; T298-S302 PolarHBondContact O-OG 3.37Å; T298-S302 VanDerWaalsContact O-OG 3.08Å; T298-P528 HydrophobicContact CG2-CG 4.37Å
299	H	98.2	Very high	90.1	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-40.7	171.1	-78.9	-72.1	0	0	0	112.1	T95 V96 P274 P276 T278 H280 N301 S302 I303	T95-H299 HydrophobicContact CG2-CB 4.04Å; V96-H299 PolarHBondContact N-ND1 3.47Å; P274-H299 WeakPolarHBondContact CB-CD2 3.48Å; P274-H299 VanDerWaalsContact CB-NE2 3.34Å; P274-H299 WeakPolarHBondContact CB-NE2 3.45Å; P274-H299 WeakPolarHBondContact CG-NE2 3.47Å; P276-H299 PolarHBondContact O-N 2.63Å; T278-H299 PolarHBondContact O-CD2 2.93Å; T278-H299 PolarHBondContact O-N 2.87Å; H280-H299 AromaticContact CD2-CE1 3.55Å; H280-H299 AromaticContact CG-CE1 3.68Å; H280-H299 AromaticContact CG-ND1 3.87Å; H299-N301 PolarHBondContact O-N 3.33Å; H299-S302 PolarHBondContact O-N 3.44Å; H299-I303 WeakPolarHBondContact O-CG1 3.37Å; H299-I303 PolarHBondContact O-N 3.19Å
300	R	97.6	Very high	92	Very high	118 Å²	118	18.4 Å²	18.4	45%	0.445	10%	0.102	S	C	.	.	H	α-helix	trans	-56.5	-50.4	173.3	179.2	-175.5	-65.5	-131.4	1.3	110.8	P276 T298 S302 I303 K304	P276-R300 HydrophobicContact CB-CB 4.08Å; P276-R300 VanDerWaalsContact O-CB 3.26Å; P276-R300 WeakPolarHBondContact O-CB 3.23Å; P276-R300 PolarHBondContact O-N 2.97Å; T298-R300 VanDerWaalsContact C-N 3.28Å; T298-R300 PolarHBondContact O-N 2.98Å; R300-S302 VanDerWaalsContact C-N 3.31Å; R300-S302 PolarHBondContact O-N 3.3Å; R300-I303 PolarHBondContact O-N 2.98Å; R300-K304 HydrophobicContact CG-CG 4.1Å; R300-K304 VanDerWaalsContact O-CB 3.3Å; R300-K304 WeakPolarHBondContact O-CB 3.35Å; R300-K304 VanDerWaalsContact O-CG 3.24Å; R300-K304 WeakPolarHBondContact O-CG 3.48Å; R300-K304 PolarHBondContact O-N 2.61Å
301	N	97.4	Very high	93.2	Very high	9 Å²	9	16.8 Å²	16.8	5%	0.048	8%	0.084	C	C	.	.	H	α-helix	trans	-58.2	-46.7	-179.3	-56.1	131.8	0	0	0	110.9	I297 T298 H299 I303 K304 S305 T475 D524 V526	I297-N301 HydrophobicContact CG2-CB 4.09Å; T298-N301 WeakPolarHBondContact CB-OD1 3.49Å; T298-N301 PolarHBondContact N-OD1 3.12Å; T298-N301 PolarHBondContact O-N 3.46Å; T298-N301 PolarHBondContact OG1-N 3.01Å; T298-N301 VanDerWaalsContact OG1-N 3.13Å; T298-N301 PolarHBondContact OG1-OD1 3.46Å; H299-N301 PolarHBondContact O-N 3.33Å; N301-I303 PolarHBondContact O-N 2.89Å; N301-K304 PolarHBondContact O-N 2.97Å; N301-S305 WeakPolarHBondContact O-CB 3.28Å; N301-S305 PolarHBondContact O-N 3.42Å; N301-T475 HydrophobicContact CB-CG2 4.03Å; N301-T475 WeakPolarHBondContact CB-OG1 3.25Å; N301-D524 PolarHBondContact ND2-O 3Å; N301-V526 PolarHBondContact ND2-O 3.23Å
302	S	97.4	Very high	93.7	Very high	6 Å²	6	14.5 Å²	14.5	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-60.2	-46.6	-179.2	-58.2	0	0	0	0	111.8	H280 I297 T298 H299 R300 A306	H280-S302 PolarHBondContact ND1-OG 3.07Å; I297-S302 WeakPolarHBondContact CG2-OG 3.25Å; T298-S302 PolarHBondContact O-N 2.85Å; T298-S302 VanDerWaalsContact O-N 3.08Å; T298-S302 PolarHBondContact O-OG 3.37Å; T298-S302 VanDerWaalsContact O-OG 3.08Å; H299-S302 PolarHBondContact O-N 3.44Å; R300-S302 VanDerWaalsContact C-N 3.31Å; R300-S302 PolarHBondContact O-N 3.3Å; S302-A306 VanDerWaalsContact O-CB 3.31Å; S302-A306 WeakPolarHBondContact O-CB 3.41Å; S302-A306 PolarHBondContact O-N 2.79Å
303	I	97.2	Very high	93.7	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-71.2	-41	-178.9	-69.1	-53.7	0	0	0	112.2	V93 T95 V96 A99 H299 R300 N301 A306 K307 T342	V93-I303 HydrophobicContact CG1-CD1 4.17Å; V93-I303 HydrophobicContact CG1-CG2 4.44Å; T95-I303 VanDerWaalsContact C-CG1 3.45Å; T95-I303 WeakPolarHBondContact O-CD1 3.48Å; V96-I303 HydrophobicContact CG2-CD1 4.11Å; V96-I303 HydrophobicContact CG2-CG1 4.36Å; A99-I303 HydrophobicContact CB-CD1 3.68Å; H299-I303 WeakPolarHBondContact O-CG1 3.37Å; H299-I303 PolarHBondContact O-N 3.19Å; R300-I303 PolarHBondContact O-N 2.98Å; N301-I303 PolarHBondContact O-N 2.89Å; I303-A306 PolarHBondContact O-N 3.44Å; I303-K307 HydrophobicContact CG2-CD 3.82Å; I303-K307 HydrophobicContact CG2-CG 4.18Å; I303-K307 WeakPolarHBondContact O-CB 3.32Å; I303-K307 VanDerWaalsContact O-CG 3.3Å; I303-K307 WeakPolarHBondContact O-CG 2.9Å; I303-K307 PolarHBondContact O-N 3.37Å; I303-T342 HydrophobicContact CD1-CG2 3.94Å
304	K	95.6	Very high	93.2	Very high	38 Å²	38	16.3 Å²	16.3	17%	0.165	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-45.3	176.7	-73.5	-71.9	-161.4	160.5	0	111.5	R300 N301 K307 S308 E497 D524 E525	R300-K304 HydrophobicContact CG-CG 4.1Å; R300-K304 VanDerWaalsContact O-CB 3.3Å; R300-K304 WeakPolarHBondContact O-CB 3.35Å; R300-K304 VanDerWaalsContact O-CG 3.24Å; R300-K304 WeakPolarHBondContact O-CG 3.48Å; R300-K304 PolarHBondContact O-N 2.61Å; N301-K304 PolarHBondContact O-N 2.97Å; K304-K307 PolarHBondContact O-N 3.44Å; K304-S308 VanDerWaalsContact O-CB 3.3Å; K304-S308 WeakPolarHBondContact O-CB 3.29Å; K304-S308 PolarHBondContact O-N 3.37Å; K304-E497 WeakPolarHBondContact CD-OE2 3.17Å; K304-E497 VanDerWaalsContact NZ-CD 3.35Å; K304-E497 IonicContact NZ-OE1 3.69Å; K304-E497 PolarHBondContact NZ-OE1 3.07Å; K304-E497 IonicContact NZ-OE2 3.07Å; K304-E497 PolarHBondContact NZ-OE2 3.43Å; K304-D524 HydrophobicContact CB-CB 4.3Å; K304-D524 HydrophobicContact CD-CB 4.17Å; K304-D524 WeakPolarHBondContact CE-OD2 3.29Å; K304-D524 HydrophobicContact CG-CB 3.81Å; K304-D524 IonicContact NZ-OD2 3.26Å; K304-D524 PolarHBondContact NZ-OD2 2.88Å; K304-E525 HydrophobicContact CB-CB 4.48Å
305	S	95	Very high	92.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.1	-50.4	173.6	-178.1	0	0	0	0	112	N301 K307 S308 V309 T475	N301-S305 WeakPolarHBondContact O-CB 3.28Å; N301-S305 PolarHBondContact O-N 3.42Å; S305-K307 PolarHBondContact O-N 3.29Å; S305-S308 WeakPolarHBondContact O-CB 3.33Å; S305-S308 PolarHBondContact O-N 2.98Å; S305-V309 WeakPolarHBondContact O-CG2 3.28Å; S305-V309 PolarHBondContact O-N 2.68Å; S305-T475 VanDerWaalsContact CB-O 3.23Å; S305-T475 WeakPolarHBondContact CB-O 3.37Å; S305-T475 PolarHBondContact OG-O 3.23Å
306	A	94.8	Very high	91.3	Very high	3 Å²	3	19 Å²	19	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-43.6	179.8	0	0	0	0	0	112.8	S302 I303 V309 L310 T342 V343	S302-A306 VanDerWaalsContact O-CB 3.31Å; S302-A306 WeakPolarHBondContact O-CB 3.41Å; S302-A306 PolarHBondContact O-N 2.79Å; I303-A306 PolarHBondContact O-N 3.44Å; A306-V309 PolarHBondContact O-N 3.37Å; A306-L310 WeakPolarHBondContact O-CB 3.39Å; A306-L310 PolarHBondContact O-N 3.26Å; A306-T342 HydrophobicContact CB-CG2 3.6Å; A306-V343 HydrophobicContact CB-CG2 3.78Å; A306-V343 WeakPolarHBondContact O-CG2 3.33Å
307	K	94	Very high	90	Very high	9 Å²	9	19.3 Å²	19.3	4%	0.039	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-37.8	176.6	-73.2	179.5	171.9	-173.6	0	112.1	W86 D88 P89 D90 V93 I303 K304 S305 L310 L311 F346	W86-K307 HydrophobicContact CH2-CB 3.56Å; W86-K307 HydrophobicContact CH2-CD 4.06Å; W86-K307 HydrophobicContact CH2-CG 4.46Å; W86-K307 HydrophobicContact CZ2-CD 4.42Å; W86-K307 HydrophobicContact CZ3-CB 4.07Å; D88-K307 VanDerWaalsContact CG-NZ 3.29Å; D88-K307 WeakPolarHBondContact OD1-CD 3.5Å; D88-K307 VanDerWaalsContact OD1-CE 3.25Å; D88-K307 WeakPolarHBondContact OD1-CE 3.2Å; D88-K307 IonicContact OD1-NZ 2.68Å; D88-K307 PolarHBondContact OD1-NZ 3.45Å; D88-K307 IonicContact OD2-NZ 3.62Å; D88-K307 PolarHBondContact OD2-NZ 2.86Å; P89-K307 HydrophobicContact CG-CB 4.22Å; P89-K307 HydrophobicContact CG-CD 4.28Å; P89-K307 HydrophobicContact CG-CG 3.89Å; D90-K307 WeakPolarHBondContact O-CE 3.39Å; D90-K307 PolarHBondContact O-NZ 3.36Å; V93-K307 WeakPolarHBondContact O-CE 3.38Å; V93-K307 PolarHBondContact O-NZ 2.94Å; I303-K307 HydrophobicContact CG2-CD 3.82Å; I303-K307 HydrophobicContact CG2-CG 4.18Å; I303-K307 WeakPolarHBondContact O-CB 3.32Å; I303-K307 VanDerWaalsContact O-CG 3.3Å; I303-K307 WeakPolarHBondContact O-CG 2.9Å; I303-K307 PolarHBondContact O-N 3.37Å; K304-K307 PolarHBondContact O-N 3.44Å; S305-K307 PolarHBondContact O-N 3.29Å; K307-L310 PolarHBondContact O-N 3.42Å; K307-L311 PolarHBondContact O-N 3.23Å; K307-F346 HydrophobicContact CG-CE2 4.5Å
308	S	91.8	Very high	88.8	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-61.6	-45.3	174.9	-163.8	0	0	0	0	111.1	K304 S305 L310 L311 V312 S495 A496 K498	K304-S308 VanDerWaalsContact O-CB 3.3Å; K304-S308 WeakPolarHBondContact O-CB 3.29Å; K304-S308 PolarHBondContact O-N 3.37Å; S305-S308 WeakPolarHBondContact O-CB 3.33Å; S305-S308 PolarHBondContact O-N 2.98Å; S308-L310 PolarHBondContact O-N 3.39Å; S308-L311 PolarHBondContact O-N 3.42Å; S308-V312 WeakPolarHBondContact O-CG2 3.28Å; S308-V312 PolarHBondContact O-N 3.01Å; S308-V312 VanDerWaalsContact O-N 3.1Å; S308-S495 WeakPolarHBondContact OG-CB 3.48Å; S308-A496 PolarHBondContact OG-N 3.12Å; S308-A496 PolarHBondContact OG-O 2.98Å; S308-K498 PolarHBondContact OG-NZ 3.04Å
309	V	89.8	Confident	87.4	Confident	20 Å²	20	25.3 Å²	25.3	12%	0.121	13%	0.126	C	C	.	.	H	α-helix	trans	-63	-40.6	172.8	174	0	0	0	0	111.7	S305 A306 L311 V312 L313 T339 V343 A477	S305-V309 WeakPolarHBondContact O-CG2 3.28Å; S305-V309 PolarHBondContact O-N 2.68Å; A306-V309 PolarHBondContact O-N 3.37Å; V309-L311 PolarHBondContact O-N 3.11Å; V309-V312 WeakPolarHBondContact O-CB 3.42Å; V309-V312 PolarHBondContact O-N 3.31Å; V309-L313 HydrophobicContact CG1-CD1 4.25Å; V309-L313 WeakPolarHBondContact O-CG 3.46Å; V309-L313 PolarHBondContact O-N 2.87Å; V309-T339 HydrophobicContact CG2-CG2 4.17Å; V309-V343 HydrophobicContact CB-CG2 4.19Å; V309-V343 HydrophobicContact CG1-CG2 4.15Å; V309-A477 HydrophobicContact CG2-CB 3.71Å
310	L	88.9	Confident	86.4	Confident	11 Å²	11	26.5 Å²	26.5	6%	0.058	13%	0.132	C	C	.	.	H	α-helix	trans	-63.4	-42.3	177.7	177.8	57.9	0	0	0	112.1	P89 A306 K307 S308 V312 L313 T314 F346 L347	P89-L310 HydrophobicContact CB-CD2 3.93Å; P89-L310 HydrophobicContact CG-CD2 3.89Å; A306-L310 WeakPolarHBondContact O-CB 3.39Å; A306-L310 PolarHBondContact O-N 3.26Å; K307-L310 PolarHBondContact O-N 3.42Å; S308-L310 PolarHBondContact O-N 3.39Å; L310-V312 VanDerWaalsContact C-N 3.31Å; L310-V312 PolarHBondContact O-N 3.05Å; L310-L313 PolarHBondContact O-N 3.29Å; L310-T314 HydrophobicContact CD1-CG2 3.84Å; L310-T314 HydrophobicContact CG-CG2 4.28Å; L310-T314 WeakPolarHBondContact O-CB 3.33Å; L310-T314 WeakPolarHBondContact O-CG2 3.49Å; L310-T314 PolarHBondContact O-N 2.68Å; L310-T314 PolarHBondContact O-OG1 2.73Å; L310-F346 HydrophobicContact CD2-CD1 3.61Å; L310-F346 HydrophobicContact CD2-CE1 3.43Å; L310-F346 VanDerWaalsContact CD2-CE1 3.43Å; L310-F346 HydrophobicContact CD2-CZ 4.44Å; L310-L347 HydrophobicContact CD1-CD1 3.76Å; L310-L347 HydrophobicContact CD1-CD2 3.85Å; L310-L347 HydrophobicContact CD1-CG 4.08Å; L310-L347 HydrophobicContact CD2-CD2 4.05Å; L310-L347 HydrophobicContact CD2-CG 4.46Å
311	L	86.3	Confident	85.8	Confident	6 Å²	6	22.8 Å²	22.8	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-45.7	176.3	-169.5	81.4	0	0	0	110.4	F84 W86 A87 K307 S308 V309 L313 T314 E315 A496	F84-L311 HydrophobicContact CB-CD2 3.75Å; W86-L311 HydrophobicContact CE3-CD2 4.23Å; A87-L311 HydrophobicContact CB-CD1 4.43Å; K307-L311 PolarHBondContact O-N 3.23Å; S308-L311 PolarHBondContact O-N 3.42Å; V309-L311 PolarHBondContact O-N 3.11Å; L311-L313 VanDerWaalsContact C-N 3.31Å; L311-L313 PolarHBondContact O-N 3.41Å; L311-T314 WeakPolarHBondContact CA-OG1 3.4Å; L311-T314 PolarHBondContact O-N 3.47Å; L311-T314 PolarHBondContact O-OG1 2.83Å; L311-T314 VanDerWaalsContact O-OG1 3.04Å; L311-E315 HydrophobicContact CD1-CG 4.24Å; L311-E315 HydrophobicContact CG-CG 4.03Å; L311-E315 VanDerWaalsContact O-CB 3.28Å; L311-E315 WeakPolarHBondContact O-CB 3.14Å; L311-E315 WeakPolarHBondContact O-CG 3.38Å; L311-E315 PolarHBondContact O-N 3.35Å; L311-A496 HydrophobicContact CD2-CB 3.28Å
312	V	83.7	Confident	85	Confident	6 Å²	6	30 Å²	30	4%	0.036	16%	0.157	C	C	.	.	H	α-helix	trans	-54	-46.6	173.5	162.9	0	0	0	0	111.4	F84 S308 V309 L310 Q316 C480	F84-V312 HydrophobicContact CD2-CG2 4.13Å; F84-V312 HydrophobicContact CE1-CG2 4.42Å; F84-V312 HydrophobicContact CE2-CG2 3.83Å; F84-V312 HydrophobicContact CZ-CB 4.46Å; F84-V312 HydrophobicContact CZ-CG1 4.46Å; F84-V312 HydrophobicContact CZ-CG2 3.97Å; S308-V312 WeakPolarHBondContact O-CG2 3.28Å; S308-V312 PolarHBondContact O-N 3.01Å; S308-V312 VanDerWaalsContact O-N 3.1Å; V309-V312 WeakPolarHBondContact O-CB 3.42Å; V309-V312 PolarHBondContact O-N 3.31Å; L310-V312 VanDerWaalsContact C-N 3.31Å; L310-V312 PolarHBondContact O-N 3.05Å; V312-Q316 VanDerWaalsContact O-CB 3.27Å; V312-Q316 WeakPolarHBondContact O-CB 3.48Å; V312-Q316 WeakPolarHBondContact O-CG 3.19Å; V312-Q316 PolarHBondContact O-N 3.37Å; V312-Q316 PolarHBondContact O-NE2 3.2Å; V312-Q316 VanDerWaalsContact O-NE2 3.09Å; V312-C480 HydrophobicContact CG1-CB 4.3Å; V312-C480 WeakPolarHBondContact CG1-SG 3.39Å; V312-C480 VanDerWaalsContact CG2-SG 3.54Å
313	L	82.6	Confident	84.6	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-68.5	-41.6	-179.7	-66	174.2	0	0	0	112.4	V309 L310 L311 Q316 L318 V343 W372 V441 I443 I466	V309-L313 HydrophobicContact CG1-CD1 4.25Å; V309-L313 WeakPolarHBondContact O-CG 3.46Å; V309-L313 PolarHBondContact O-N 2.87Å; L310-L313 PolarHBondContact O-N 3.29Å; L311-L313 VanDerWaalsContact C-N 3.31Å; L311-L313 PolarHBondContact O-N 3.41Å; L313-Q316 PolarHBondContact O-N 2.93Å; L313-L318 HydrophobicContact CD2-CD1 3.65Å; L313-L318 VanDerWaalsContact O-CB 3.29Å; L313-L318 WeakPolarHBondContact O-CB 3.27Å; L313-L318 PolarHBondContact O-N 3.45Å; L313-V343 HydrophobicContact CD1-CG1 4.46Å; L313-W372 HydrophobicContact CD1-CH2 4.41Å; L313-V441 HydrophobicContact CD2-CG1 4.12Å; L313-I443 HydrophobicContact CD2-CD1 4.24Å; L313-I466 HydrophobicContact CD2-CD1 4.14Å
314	T	80	Confident	84.3	Confident	57 Å²	57	35.1 Å²	35.1	35%	0.35	18%	0.176	S	C	.	.	H	α-helix	trans	-72.4	-46.4	-176.4	48.3	0	0	0	0	112.5	L310 L311 Q316 N317	L310-T314 HydrophobicContact CD1-CG2 3.84Å; L310-T314 HydrophobicContact CG-CG2 4.28Å; L310-T314 WeakPolarHBondContact O-CB 3.33Å; L310-T314 WeakPolarHBondContact O-CG2 3.49Å; L310-T314 PolarHBondContact O-N 2.68Å; L310-T314 PolarHBondContact O-OG1 2.73Å; L311-T314 WeakPolarHBondContact CA-OG1 3.4Å; L311-T314 PolarHBondContact O-N 3.47Å; L311-T314 PolarHBondContact O-OG1 2.83Å; L311-T314 VanDerWaalsContact O-OG1 3.04Å; T314-Q316 PolarHBondContact O-N 2.91Å; T314-Q316 VanDerWaalsContact O-N 3.14Å; T314-N317 PolarHBondContact O-N 2.86Å
315	E	77.6	Confident	84.4	Confident	60 Å²	60	33.4 Å²	33.4	28%	0.28	17%	0.168	S	C	.	.	H	α-helix	trans	-62.1	-20.9	175.7	-72	-63	139.7	0	0	112.6	Y63 F84 L311 N317	Y63-E315 WeakPolarHBondContact CD2-O 3.44Å; F84-E315 HydrophobicContact CD1-CB 3.79Å; F84-E315 HydrophobicContact CD1-CG 4.1Å; F84-E315 HydrophobicContact CE1-CB 4.05Å; L311-E315 HydrophobicContact CD1-CG 4.24Å; L311-E315 HydrophobicContact CG-CG 4.03Å; L311-E315 VanDerWaalsContact O-CB 3.28Å; L311-E315 WeakPolarHBondContact O-CB 3.14Å; L311-E315 WeakPolarHBondContact O-CG 3.38Å; L311-E315 PolarHBondContact O-N 3.35Å; E315-N317 VanDerWaalsContact C-N 3.31Å
316	Q	74.4	Confident	84.4	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	16.7	176.2	-65.4	-173.6	60.8	0	0	113.3	F84 V312 L313 T314 L318 F482 V483	F84-Q316 HydrophobicContact CE1-CG 4.23Å; V312-Q316 VanDerWaalsContact O-CB 3.27Å; V312-Q316 WeakPolarHBondContact O-CB 3.48Å; V312-Q316 WeakPolarHBondContact O-CG 3.19Å; V312-Q316 PolarHBondContact O-N 3.37Å; V312-Q316 PolarHBondContact O-NE2 3.2Å; V312-Q316 VanDerWaalsContact O-NE2 3.09Å; L313-Q316 PolarHBondContact O-N 2.93Å; T314-Q316 PolarHBondContact O-N 2.91Å; T314-Q316 VanDerWaalsContact O-N 3.14Å; Q316-L318 PolarHBondContact O-N 3.11Å; Q316-F482 VanDerWaalsContact OE1-C 3.29Å; Q316-V483 HydrophobicContact CB-CB 4.43Å; Q316-V483 HydrophobicContact CB-CG1 3.81Å; Q316-V483 HydrophobicContact CB-CG2 3.8Å; Q316-V483 HydrophobicContact CG-CG2 4.35Å; Q316-V483 VanDerWaalsContact OE1-CG1 3.28Å
317	N	70.7	Confident	84.5	Confident	32 Å²	32	33.4 Å²	33.4	17%	0.171	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	28.9	178.6	-70.7	-57.6	0	0	0	114.3	K59 Q61 Y63 T314 E315 N319	K59-N317 WeakPolarHBondContact O-CB 3.07Å; Q61-N317 PolarHBondContact O-ND2 3.34Å; Y63-N317 WeakPolarHBondContact CE2-ND2 3.25Å; Y63-N317 WeakPolarHBondContact CE2-OD1 3.41Å; Y63-N317 VanDerWaalsContact CZ-ND2 3.28Å; Y63-N317 PolarHBondContact OH-ND2 3.43Å; Y63-N317 PolarHBondContact OH-OD1 2.89Å; T314-N317 PolarHBondContact O-N 2.86Å; E315-N317 VanDerWaalsContact C-N 3.31Å; N317-N319 PolarHBondContact O-N 3.04Å
318	L	73.6	Confident	84.7	Confident	12 Å²	12	33 Å²	33	6%	0.063	17%	0.166	C	C	.	.			trans	-84.4	56.6	175.4	-62.9	175	0	0	0	111.5	L313 Q316 L320 V441 I466 V483	L313-L318 HydrophobicContact CD2-CD1 3.65Å; L313-L318 VanDerWaalsContact O-CB 3.29Å; L313-L318 WeakPolarHBondContact O-CB 3.27Å; L313-L318 PolarHBondContact O-N 3.45Å; Q316-L318 PolarHBondContact O-N 3.11Å; L318-L320 WeakPolarHBondContact O-CD1 3.48Å; L318-L320 WeakPolarHBondContact O-CG 3.3Å; L318-L320 PolarHBondContact O-N 3.26Å; L318-L320 VanDerWaalsContact O-N 3.13Å; L318-V441 HydrophobicContact CB-CG2 4.19Å; L318-V441 HydrophobicContact CD1-CG1 4.16Å; L318-V441 HydrophobicContact CD1-CG2 3.72Å; L318-V441 HydrophobicContact CD2-CG2 4.01Å; L318-V441 HydrophobicContact CG-CG2 4.2Å; L318-I466 HydrophobicContact CD1-CD1 3.91Å; L318-V483 HydrophobicContact CD1-CG1 3.47Å; L318-V483 VanDerWaalsContact CD1-CG1 3.47Å; L318-V483 HydrophobicContact CD2-CG1 3.94Å; L318-V483 HydrophobicContact CG-CG1 3.78Å
319	N	69.1	Low	84.8	Confident	130 Å²	130	33.3 Å²	33.3	70%	0.695	17%	0.167	S	C	*	.			trans	-71.2	108.6	174.5	-73.9	-37.7	0	0	0	110.1	N317	N317-N319 PolarHBondContact O-N 3.04Å
320	L	78.1	Confident	84.9	Confident	26 Å²	26	32.7 Å²	32.7	14%	0.136	16%	0.163	C	C	.	.			trans	-98.9	140.9	-176.6	-70.9	144	0	0	0	109.7	L318 K349 H371 W372 A440 V441	L318-L320 WeakPolarHBondContact O-CD1 3.48Å; L318-L320 WeakPolarHBondContact O-CG 3.3Å; L318-L320 PolarHBondContact O-N 3.26Å; L318-L320 VanDerWaalsContact O-N 3.13Å; L320-K349 PolarHBondContact O-NZ 3.19Å; L320-H371 HydrophobicContact CD2-CB 4.28Å; L320-W372 HydrophobicContact CB-CZ2 4.3Å; L320-W372 HydrophobicContact CD1-CD2 4.37Å; L320-W372 HydrophobicContact CD1-CZ2 3.48Å; L320-W372 VanDerWaalsContact CD1-CZ2 3.48Å; L320-W372 HydrophobicContact CG-CZ2 4.43Å; L320-A440 HydrophobicContact CD2-CB 3.39Å; L320-V441 HydrophobicContact CD1-CG2 3.71Å; L320-V441 HydrophobicContact CD2-CG2 4.34Å
321	P	83.4	Confident	85	Confident	40 Å²	40	33.5 Å²	33.5	26%	0.26	17%	0.168	S	C	.	.			trans	-57.2	154.5	-175.9	23.3	-32.9	0	0	0	111	Y323 S324 K349	P321-Y323 HydrophobicContact CB-CD1 3.8Å; P321-Y323 HydrophobicContact CB-CD2 4.2Å; P321-Y323 HydrophobicContact CB-CE1 3.43Å; P321-Y323 VanDerWaalsContact CB-CE1 3.43Å; P321-Y323 HydrophobicContact CB-CE2 3.86Å; P321-Y323 HydrophobicContact CB-CG 4.16Å; P321-Y323 VanDerWaalsContact CB-CZ 3.45Å; P321-Y323 HydrophobicContact CG-CD2 4.05Å; P321-Y323 HydrophobicContact CG-CE1 4.13Å; P321-Y323 HydrophobicContact CG-CE2 3.59Å; P321-Y323 HydrophobicContact CG-CG 4.49Å; P321-Y323 PolarHBondContact O-N 2.88Å; P321-Y323 VanDerWaalsContact O-N 3.1Å; P321-S324 VanDerWaalsContact O-CB 3.25Å; P321-S324 WeakPolarHBondContact O-CB 3.26Å; P321-S324 PolarHBondContact O-N 2.87Å; P321-S324 PolarHBondContact O-OG 3Å; P321-K349 PolarHBondContact O-NZ 3.42Å
322	H	82.1	Confident	85.4	Confident	161 Å²	161	33.2 Å²	33.2	75%	0.745	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-35.4	177.6	-71.9	-81.4	0	0	0	112.4	S324	H322-S324 VanDerWaalsContact C-N 3.27Å; H322-S324 PolarHBondContact O-N 3.12Å
323	Y	87.1	Confident	85.7	Confident	118 Å²	118	33.1 Å²	33.1	46%	0.463	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	11.4	177.5	61.8	-100.5	0	0	0	115.4	P321 T325 H371	P321-Y323 HydrophobicContact CB-CD1 3.8Å; P321-Y323 HydrophobicContact CB-CD2 4.2Å; P321-Y323 HydrophobicContact CB-CE1 3.43Å; P321-Y323 VanDerWaalsContact CB-CE1 3.43Å; P321-Y323 HydrophobicContact CB-CE2 3.86Å; P321-Y323 HydrophobicContact CB-CG 4.16Å; P321-Y323 VanDerWaalsContact CB-CZ 3.45Å; P321-Y323 HydrophobicContact CG-CD2 4.05Å; P321-Y323 HydrophobicContact CG-CE1 4.13Å; P321-Y323 HydrophobicContact CG-CE2 3.59Å; P321-Y323 HydrophobicContact CG-CG 4.49Å; P321-Y323 PolarHBondContact O-N 2.88Å; P321-Y323 VanDerWaalsContact O-N 3.1Å; Y323-T325 PolarHBondContact O-OG1 3.28Å; Y323-H371 AromaticContact CD2-CE1 3.88Å; Y323-H371 AromaticContact CD2-NE2 3.96Å; Y323-H371 AromaticContact CE2-CE1 3.86Å; Y323-H371 AromaticContact CE2-NE2 3.5Å; Y323-H371 WeakPolarHBondContact CE2-NE2 3.37Å
324	S	92.7	Very high	86.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.			trans	-61	149.2	-176.2	63.9	0	0	0	0	112.1	P321 H322 K349 R350	P321-S324 VanDerWaalsContact O-CB 3.25Å; P321-S324 WeakPolarHBondContact O-CB 3.26Å; P321-S324 PolarHBondContact O-N 2.87Å; P321-S324 PolarHBondContact O-OG 3Å; H322-S324 VanDerWaalsContact C-N 3.27Å; H322-S324 PolarHBondContact O-N 3.12Å; S324-K349 WeakPolarHBondContact OG-CD 3.37Å; S324-K349 VanDerWaalsContact OG-CE 3.28Å; S324-K349 WeakPolarHBondContact OG-CE 3.46Å; S324-K349 WeakPolarHBondContact OG-CG 3.34Å; S324-R350 PolarHBondContact O-N 3.19Å; S324-R350 VanDerWaalsContact O-N 3.12Å
325	T	95.8	Very high	86.9	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	126	-171.8	-53.3	0	0	0	0	110.3	W125 Y323 R350 L368 H371 W372	W125-T325 HydrophobicContact CH2-CG2 3.78Å; W125-T325 HydrophobicContact CZ2-CG2 4.5Å; Y323-T325 PolarHBondContact O-OG1 3.28Å; T325-R350 CarbonylContact C-O 3.51Å; T325-R350 VanDerWaalsContact CA-O 3.32Å; T325-R350 WeakPolarHBondContact CA-O 2.94Å; T325-R350 HydrophobicContact CG2-CB 4.12Å; T325-L368 HydrophobicContact CG2-CD1 3.72Å; T325-L368 HydrophobicContact CG2-CD2 4.14Å; T325-L368 HydrophobicContact CG2-CG 3.9Å; T325-H371 PolarHBondContact N-ND1 2.73Å; T325-H371 VanDerWaalsContact N-ND1 3.17Å; T325-H371 PolarHBondContact O-N 3.39Å; T325-W372 PolarHBondContact O-N 3.49Å; T325-W372 VanDerWaalsContact O-N 3.17Å
326	Y	96.2	Very high	87.6	Confident	3 Å²	3	30.2 Å²	30.2	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	136.1	170	175.1	-99.6	0	0	0	109.7	E337 C340 Q341 R350 I351 G352 W372 P374	Y326-E337 WeakPolarHBondContact CE1-OE1 3.36Å; Y326-E337 VanDerWaalsContact OH-CD 3.3Å; Y326-E337 PolarHBondContact OH-OE2 3.47Å; Y326-C340 HydrophobicContact CE1-CB 4.45Å; Y326-C340 HydrophobicContact CE2-CB 3.52Å; Y326-C340 VanDerWaalsContact CZ-CB 3.48Å; Y326-C340 WeakPolarHBondContact OH-CB 3.43Å; Y326-Q341 HydrophobicContact CD1-CG 4.49Å; Y326-Q341 HydrophobicContact CE1-CG 3.96Å; Y326-R350 PolarHBondContact N-O 3.41Å; Y326-I351 HydrophobicContact CD1-CG1 4.33Å; Y326-I351 HydrophobicContact CD1-CG2 4.22Å; Y326-G352 PolarHBondContact O-N 3.31Å; Y326-W372 HydrophobicContact CD2-CB 3.99Å; Y326-W372 HydrophobicContact CD2-CE3 4.17Å; Y326-P374 HydrophobicContact CE2-CB 3.9Å; Y326-P374 HydrophobicContact CE2-CG 3.58Å; Y326-P374 WeakPolarHBondContact OH-CB 3.22Å; Y326-P374 VanDerWaalsContact OH-CG 3.27Å; Y326-P374 WeakPolarHBondContact OH-CG 3.04Å
327	I	96.9	Very high	88.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.8	171	-172.3	169.3	0	0	0	110	Y329 G352 L361 M365 L368 P370 W372 L373 P374	I327-Y329 HydrophobicContact CG2-CD1 4.39Å; I327-G352 CarbonylContact C-O 3.53Å; I327-G352 WeakPolarHBondContact CA-O 3.4Å; I327-L361 HydrophobicContact CD1-CD1 3.77Å; I327-M365 HydrophobicContact CD1-CG 3.53Å; I327-L368 HydrophobicContact CB-CD2 3.77Å; I327-L368 HydrophobicContact CD1-CD2 4.15Å; I327-L368 HydrophobicContact CG1-CD2 3.77Å; I327-P370 HydrophobicContact CB-CB 4.01Å; I327-P370 HydrophobicContact CB-CG 4.35Å; I327-P370 HydrophobicContact CG2-CB 4.17Å; I327-P370 HydrophobicContact CG2-CG 4.31Å; I327-W372 PolarHBondContact N-O 2.87Å; I327-L373 HydrophobicContact CG2-CD1 3.71Å; I327-P374 WeakPolarHBondContact O-CD 3.31Å; I327-P374 WeakPolarHBondContact O-CG 3.06Å
328	S	97.3	Very high	89.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	113.4	176.9	-179.9	0	0	0	0	109.9	N161 E337 Q341 G352 F353 Y354	N161-S328 PolarHBondContact ND2-OG 3.48Å; S328-E337 WeakPolarHBondContact CA-OE1 3.25Å; S328-E337 WeakPolarHBondContact CB-OE1 3.25Å; S328-E337 PolarHBondContact OG-OE1 3.09Å; S328-Q341 PolarHBondContact OG-NE2 3.17Å; S328-Q341 VanDerWaalsContact OG-NE2 3.08Å; S328-G352 PolarHBondContact N-O 2.96Å; S328-F353 WeakPolarHBondContact OG-CD1 3.22Å; S328-F353 WeakPolarHBondContact OG-CE1 3.36Å; S328-Y354 WeakPolarHBondContact O-CD1 3.46Å; S328-Y354 PolarHBondContact O-N 3.45Å
329	Y	93.9	Very high	90.9	Very high	9 Å²	9	29 Å²	29	4%	0.035	14%	0.142	C	C	.	.			trans	-150.3	-18.3	175.3	80.4	-82.8	0	0	0	113.5	N161 I327 L361 L373 P374 V379	N161-Y329 PolarHBondContact ND2-N 3.5Å; I327-Y329 HydrophobicContact CG2-CD1 4.39Å; Y329-L361 HydrophobicContact CD1-CD1 3.88Å; Y329-L361 HydrophobicContact CD1-CD2 4.31Å; Y329-L361 HydrophobicContact CD2-CD1 4.11Å; Y329-L361 HydrophobicContact CD2-CD2 3.81Å; Y329-L361 HydrophobicContact CE1-CD1 4.48Å; Y329-L361 HydrophobicContact CE1-CD2 4.18Å; Y329-L361 HydrophobicContact CE2-CD2 3.68Å; Y329-L361 HydrophobicContact CG-CD1 3.67Å; Y329-L361 HydrophobicContact CG-CD2 4.14Å; Y329-L373 HydrophobicContact CE1-CD1 3.91Å; Y329-P374 HydrophobicContact CD1-CG 4.33Å; Y329-P374 HydrophobicContact CE1-CG 3.92Å; Y329-P374 WeakPolarHBondContact CE1-O 3.37Å; Y329-P374 PolarHBondContact OH-O 3.08Å; Y329-V379 HydrophobicContact CE2-CG2 4.16Å
330	L	92	Very high	92.1	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	11%	0.113	C	C	.	.	S	Bend	trans	-70.9	136.3	169.8	-65.3	-177.1	0	0	0	108.1	N161 M332 Y336 E337 P374 V376	N161-L330 PolarHBondContact ND2-O 2.85Å; N161-L330 PolarHBondContact OD1-O 3.49Å; L330-M332 PolarHBondContact O-N 3.14Å; L330-Y336 HydrophobicContact CD1-CD1 3.46Å; L330-Y336 VanDerWaalsContact CD1-CD1 3.46Å; L330-Y336 HydrophobicContact CD1-CE1 3.62Å; L330-Y336 HydrophobicContact CD1-CG 4.36Å; L330-E337 HydrophobicContact CB-CB 4.23Å; L330-E337 WeakPolarHBondContact O-CB 3.31Å; L330-E337 VanDerWaalsContact O-CD 3.3Å; L330-E337 WeakPolarHBondContact O-CG 3.4Å; L330-P374 HydrophobicContact CD1-CB 3.83Å; L330-P374 HydrophobicContact CD1-CG 4.39Å; L330-P374 HydrophobicContact CG-CB 4.43Å; L330-P374 HydrophobicContact CG-CG 4.48Å; L330-V376 HydrophobicContact CD2-CG1 4.11Å
331	P	91.2	Very high	92.9	Very high	27 Å²	27	22.5 Å²	22.5	18%	0.175	11%	0.108	C	C	.	.			trans	-49.9	130.8	-172.2	-28.6	34.5	0	0	0	112.6	N161 Y183 A333 H334 E337 P693	N161-P331 WeakPolarHBondContact OD1-CA 3.4Å; Y183-P331 HydrophobicContact CD1-CB 4.02Å; Y183-P331 HydrophobicContact CE1-CB 4.02Å; P331-A333 PolarHBondContact O-N 2.89Å; P331-A333 VanDerWaalsContact O-N 3.11Å; P331-H334 VanDerWaalsContact O-CB 3.27Å; P331-H334 WeakPolarHBondContact O-CB 3.34Å; P331-H334 PolarHBondContact O-N 2.82Å; P331-E337 WeakPolarHBondContact O-CB 3.36Å; P331-P693 HydrophobicContact CB-CB 4.48Å; P331-P693 HydrophobicContact CG-CB 3.8Å
332	M	94.3	Very high	93.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.5	177.5	-61.5	-157.6	66.6	0	0	113.1	N161 W165 L330 H334 E337 Q338 Q341 F353	N161-M332 HydrophobicContact CB-CG 3.85Å; N161-M332 HydrophobicContact CB-SD 4.22Å; N161-M332 WeakPolarHBondContact OD1-CG 3.44Å; N161-M332 PolarHBondContact OD1-N 3.31Å; W165-M332 HydrophobicContact CB-SD 3.81Å; W165-M332 HydrophobicContact CD2-CB 3.74Å; W165-M332 HydrophobicContact CD2-CE 3.64Å; W165-M332 HydrophobicContact CD2-CG 4.08Å; W165-M332 HydrophobicContact CD2-SD 3.34Å; W165-M332 HydrophobicContact CE3-CB 4.14Å; W165-M332 HydrophobicContact CE3-CE 2.98Å; W165-M332 HydrophobicContact CE3-CG 4.36Å; W165-M332 HydrophobicContact CE3-SD 3.37Å; W165-M332 HydrophobicContact CG-CB 4.29Å; W165-M332 HydrophobicContact CG-CE 4.41Å; W165-M332 HydrophobicContact CG-CG 4.35Å; W165-M332 HydrophobicContact CG-SD 3.52Å; W165-M332 VanDerWaalsContact CG-SD 3.52Å; W165-M332 HydrophobicContact CH2-CB 4.02Å; W165-M332 HydrophobicContact CH2-CE 4.05Å; W165-M332 HydrophobicContact CZ2-CB 3.5Å; W165-M332 HydrophobicContact CZ2-CE 4.5Å; W165-M332 HydrophobicContact CZ3-CB 4.28Å; W165-M332 HydrophobicContact CZ3-CE 3.24Å; W165-M332 HydrophobicContact CZ3-SD 4.16Å; L330-M332 PolarHBondContact O-N 3.14Å; M332-H334 PolarHBondContact O-N 3.17Å; M332-E337 HydrophobicContact CG-CG 4.23Å; M332-Q338 PolarHBondContact O-NE2 3.42Å; M332-Q341 VanDerWaalsContact CE-CD 3.48Å; M332-Q341 VanDerWaalsContact CE-NE2 3.31Å; M332-F353 HydrophobicContact SD-CE1 3.95Å
333	A	91.8	Very high	94.1	Very high	4 Å²	4	13.4 Å²	13.4	3%	0.033	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.3	169.9	0	0	0	0	0	114.8	P181 Y183 P331	P181-A333 HydrophobicContact CB-CB 3.84Å; P181-A333 HydrophobicContact CG-CB 4.28Å; Y183-A333 HydrophobicContact CD1-CB 3.7Å; Y183-A333 HydrophobicContact CD2-CB 3.83Å; Y183-A333 HydrophobicContact CE1-CB 3.8Å; Y183-A333 HydrophobicContact CE2-CB 3.92Å; Y183-A333 HydrophobicContact CG-CB 3.75Å; Y183-A333 PolarHBondContact OH-O 3.16Å; P331-A333 PolarHBondContact O-N 2.89Å; P331-A333 VanDerWaalsContact O-N 3.11Å
334	H	92	Very high	94.5	Very high	28 Å²	28	7.8 Å²	7.8	13%	0.13	4%	0.041	C	C	.	.	S	Bend	trans	-92.6	132.6	179.3	-161.9	-85.9	0	0	0	111.9	Y183 P331 M332 Y336 E337 Q338 T694	Y183-H334 HydrophobicContact CE1-CB 4.07Å; Y183-H334 VanDerWaalsContact OH-CA 3.26Å; Y183-H334 WeakPolarHBondContact OH-CA 3.3Å; Y183-H334 PolarHBondContact OH-CD2 3.19Å; P331-H334 VanDerWaalsContact O-CB 3.27Å; P331-H334 WeakPolarHBondContact O-CB 3.34Å; P331-H334 PolarHBondContact O-N 2.82Å; M332-H334 PolarHBondContact O-N 3.17Å; H334-Y336 WeakPolarHBondContact ND1-CB 3.33Å; H334-Y336 PolarHBondContact ND1-N 3.32Å; H334-Y336 VanDerWaalsContact ND1-N 3.19Å; H334-Y336 PolarHBondContact O-N 3.27Å; H334-E337 PolarHBondContact O-N 2.95Å; H334-Q338 PolarHBondContact O-N 3.32Å; H334-T694 WeakPolarHBondContact CD2-CG2 3.31Å; H334-T694 VanDerWaalsContact NE2-CG2 3.32Å; H334-T694 WeakPolarHBondContact NE2-CG2 3.37Å
335	I	95	Very high	94.6	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.021	4%	0.041	C	C	.	.	H	α-helix	trans	-57.3	-29.1	-177.5	-162.7	55.3	0	0	0	113.4	L281 I297 Q338 T339 T472 T475	L281-I335 HydrophobicContact CD1-CD1 4.25Å; I297-I335 HydrophobicContact CD1-CD1 4.35Å; I297-I335 HydrophobicContact CG1-CD1 4.2Å; I297-I335 HydrophobicContact CG2-CD1 4.44Å; I335-Q338 HydrophobicContact CD1-CB 4.26Å; I335-Q338 WeakPolarHBondContact O-CB 3.23Å; I335-Q338 PolarHBondContact O-N 3.44Å; I335-T339 WeakPolarHBondContact O-CB 3.35Å; I335-T339 PolarHBondContact O-N 2.99Å; I335-T339 PolarHBondContact O-OG1 2.78Å; I335-T472 HydrophobicContact CB-CG2 4.33Å; I335-T475 HydrophobicContact CD1-CG2 4.11Å; I335-T475 HydrophobicContact CG1-CG2 4.37Å
336	Y	92.9	Very high	94.6	Very high	32 Å²	32	8 Å²	8	13%	0.125	4%	0.042	C	C	.	.	H	α-helix	trans	-65.1	-43.7	178.4	-175.3	-156.2	0	0	0	111.8	L330 H334 C340 P374 I443	L330-Y336 HydrophobicContact CD1-CD1 3.46Å; L330-Y336 VanDerWaalsContact CD1-CD1 3.46Å; L330-Y336 HydrophobicContact CD1-CE1 3.62Å; L330-Y336 HydrophobicContact CD1-CG 4.36Å; H334-Y336 WeakPolarHBondContact ND1-CB 3.33Å; H334-Y336 PolarHBondContact ND1-N 3.32Å; H334-Y336 VanDerWaalsContact ND1-N 3.19Å; H334-Y336 PolarHBondContact O-N 3.27Å; Y336-C340 WeakPolarHBondContact CE2-SG 3.35Å; Y336-C340 WeakPolarHBondContact O-CB 3.32Å; Y336-C340 PolarHBondContact O-N 3.12Å; Y336-C340 VanDerWaalsContact O-N 3.07Å; Y336-C340 PolarHBondContact O-SG 3.45Å; Y336-P374 HydrophobicContact CE1-CB 4.47Å; Y336-I443 VanDerWaalsContact OH-CB 3.26Å; Y336-I443 WeakPolarHBondContact OH-CB 3.27Å; Y336-I443 VanDerWaalsContact OH-CG2 3.28Å; Y336-I443 WeakPolarHBondContact OH-CG2 3.21Å; Y336-I443 PolarHBondContact OH-O 2.86Å
337	E	94.6	Very high	94.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.6	-43.7	174.9	-178.9	67.6	-169.3	0	0	110.1	Y326 S328 L330 P331 M332 H334 T339 C340 Q341	Y326-E337 WeakPolarHBondContact CE1-OE1 3.36Å; Y326-E337 VanDerWaalsContact OH-CD 3.3Å; Y326-E337 PolarHBondContact OH-OE2 3.47Å; S328-E337 WeakPolarHBondContact CA-OE1 3.25Å; S328-E337 WeakPolarHBondContact CB-OE1 3.25Å; S328-E337 PolarHBondContact OG-OE1 3.09Å; L330-E337 HydrophobicContact CB-CB 4.23Å; L330-E337 WeakPolarHBondContact O-CB 3.31Å; L330-E337 VanDerWaalsContact O-CD 3.3Å; L330-E337 WeakPolarHBondContact O-CG 3.4Å; P331-E337 WeakPolarHBondContact O-CB 3.36Å; M332-E337 HydrophobicContact CG-CG 4.23Å; H334-E337 PolarHBondContact O-N 2.95Å; E337-T339 PolarHBondContact O-N 3.16Å; E337-C340 PolarHBondContact O-N 3.28Å; E337-Q341 HydrophobicContact CG-CG 4.44Å; E337-Q341 WeakPolarHBondContact O-CG 2.99Å; E337-Q341 PolarHBondContact O-N 3.1Å; E337-Q341 PolarHBondContact OE1-NE2 3.19Å
338	Q	96.5	Very high	94.3	Very high	9 Å²	9	10.2 Å²	10.2	4%	0.042	6%	0.055	C	C	.	.	H	α-helix	trans	-57.1	-46.7	177.5	-69.6	-62.5	-35.6	0	0	112.7	L281 M332 H334 I335 Q341 T342	L281-Q338 HydrophobicContact CD1-CB 4.12Å; L281-Q338 HydrophobicContact CD1-CG 3.73Å; M332-Q338 PolarHBondContact O-NE2 3.42Å; H334-Q338 PolarHBondContact O-N 3.32Å; I335-Q338 HydrophobicContact CD1-CB 4.26Å; I335-Q338 WeakPolarHBondContact O-CB 3.23Å; I335-Q338 PolarHBondContact O-N 3.44Å; Q338-Q341 PolarHBondContact O-N 3.48Å; Q338-T342 WeakPolarHBondContact O-CB 3.36Å; Q338-T342 PolarHBondContact O-N 2.82Å; Q338-T342 PolarHBondContact O-OG1 2.78Å
339	T	95.3	Very high	94.2	Very high	9 Å²	9	10.9 Å²	10.9	6%	0.055	6%	0.058	C	C	.	.	H	α-helix	trans	-64.2	-47.2	178.3	-54.2	0	0	0	0	110.5	V309 I335 E337 Q341 T342 V343 T475	V309-T339 HydrophobicContact CG2-CG2 4.17Å; I335-T339 WeakPolarHBondContact O-CB 3.35Å; I335-T339 PolarHBondContact O-N 2.99Å; I335-T339 PolarHBondContact O-OG1 2.78Å; E337-T339 PolarHBondContact O-N 3.16Å; T339-Q341 PolarHBondContact O-N 3.44Å; T339-T342 PolarHBondContact O-N 3.18Å; T339-V343 WeakPolarHBondContact O-CG2 3.41Å; T339-V343 PolarHBondContact O-N 3.27Å; T339-T475 PolarHBondContact OG1-O 2.9Å
340	C	94.2	Very high	94.3	Very high	13 Å²	13	13.4 Å²	13.4	9%	0.088	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-42.3	179.2	-74.1	0	0	0	0	112.8	Y326 Y336 E337 V343 A344	Y326-C340 HydrophobicContact CE1-CB 4.45Å; Y326-C340 HydrophobicContact CE2-CB 3.52Å; Y326-C340 VanDerWaalsContact CZ-CB 3.48Å; Y326-C340 WeakPolarHBondContact OH-CB 3.43Å; Y336-C340 WeakPolarHBondContact CE2-SG 3.35Å; Y336-C340 WeakPolarHBondContact O-CB 3.32Å; Y336-C340 PolarHBondContact O-N 3.12Å; Y336-C340 VanDerWaalsContact O-N 3.07Å; Y336-C340 PolarHBondContact O-SG 3.45Å; E337-C340 PolarHBondContact O-N 3.28Å; C340-V343 PolarHBondContact O-N 3.11Å; C340-A344 PolarHBondContact O-N 3.42Å
341	Q	95.6	Very high	94.6	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.028	7%	0.066	C	C	.	.	H	α-helix	trans	-68.3	-39.4	177.1	-70.6	-163.5	11	0	0	112.1	Y326 S328 M332 E337 Q338 T339 V343 A344 V345 I351	Y326-Q341 HydrophobicContact CD1-CG 4.49Å; Y326-Q341 HydrophobicContact CE1-CG 3.96Å; S328-Q341 PolarHBondContact OG-NE2 3.17Å; S328-Q341 VanDerWaalsContact OG-NE2 3.08Å; M332-Q341 VanDerWaalsContact CE-CD 3.48Å; M332-Q341 VanDerWaalsContact CE-NE2 3.31Å; E337-Q341 HydrophobicContact CG-CG 4.44Å; E337-Q341 WeakPolarHBondContact O-CG 2.99Å; E337-Q341 PolarHBondContact O-N 3.1Å; E337-Q341 PolarHBondContact OE1-NE2 3.19Å; Q338-Q341 PolarHBondContact O-N 3.48Å; T339-Q341 PolarHBondContact O-N 3.44Å; Q341-V343 VanDerWaalsContact C-N 3.29Å; Q341-V343 PolarHBondContact O-N 3.3Å; Q341-A344 WeakPolarHBondContact O-CB 3.37Å; Q341-A344 PolarHBondContact O-N 3.29Å; Q341-A344 VanDerWaalsContact O-N 3.11Å; Q341-V345 WeakPolarHBondContact O-CG2 3.28Å; Q341-V345 PolarHBondContact O-N 3.14Å; Q341-I351 HydrophobicContact CB-CD1 4.07Å; Q341-I351 HydrophobicContact CG-CD1 3.98Å
342	T	96.6	Very high	94.9	Very high	7 Å²	7	11.9 Å²	11.9	4%	0.043	6%	0.058	C	C	.	.	H	α-helix	trans	-57.8	-43.8	173.7	-57.5	0	0	0	0	110.7	V96 I303 A306 Q338 T339 V345 F346	V96-T342 HydrophobicContact CG2-CG2 4.42Å; I303-T342 HydrophobicContact CD1-CG2 3.94Å; A306-T342 HydrophobicContact CB-CG2 3.6Å; Q338-T342 WeakPolarHBondContact O-CB 3.36Å; Q338-T342 PolarHBondContact O-N 2.82Å; Q338-T342 PolarHBondContact O-OG1 2.78Å; T339-T342 PolarHBondContact O-N 3.18Å; T342-V345 WeakPolarHBondContact O-CG2 3.48Å; T342-F346 WeakPolarHBondContact O-CB 3.47Å; T342-F346 PolarHBondContact O-N 3.07Å
343	V	94.6	Very high	95.1	Very high	3 Å²	3	12 Å²	12	2%	0.018	6%	0.058	C	C	.	.	H	α-helix	trans	-62.6	-45.1	173.9	176.4	0	0	0	0	111.5	A306 V309 L313 T339 C340 Q341 F346 L347 W372	A306-V343 HydrophobicContact CB-CG2 3.78Å; A306-V343 WeakPolarHBondContact O-CG2 3.33Å; V309-V343 HydrophobicContact CB-CG2 4.19Å; V309-V343 HydrophobicContact CG1-CG2 4.15Å; L313-V343 HydrophobicContact CD1-CG1 4.46Å; T339-V343 WeakPolarHBondContact O-CG2 3.41Å; T339-V343 PolarHBondContact O-N 3.27Å; C340-V343 PolarHBondContact O-N 3.11Å; Q341-V343 VanDerWaalsContact C-N 3.29Å; Q341-V343 PolarHBondContact O-N 3.3Å; V343-F346 PolarHBondContact O-N 3.23Å; V343-L347 HydrophobicContact CG1-CD1 4.12Å; V343-L347 WeakPolarHBondContact O-CG 3.26Å; V343-L347 PolarHBondContact O-N 3.41Å; V343-W372 HydrophobicContact CG1-CH2 4.02Å; V343-W372 HydrophobicContact CG1-CZ3 3.87Å
344	A	94.6	Very high	95.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-47.2	-179.4	0	0	0	0	0	111.5	C340 Q341 L347 G348 K349 I351	C340-A344 PolarHBondContact O-N 3.42Å; Q341-A344 WeakPolarHBondContact O-CB 3.37Å; Q341-A344 PolarHBondContact O-N 3.29Å; Q341-A344 VanDerWaalsContact O-N 3.11Å; A344-L347 PolarHBondContact O-N 3.13Å; A344-G348 PolarHBondContact O-N 2.79Å; A344-K349 HydrophobicContact CB-CB 4.46Å; A344-K349 WeakPolarHBondContact O-CB 3.29Å; A344-K349 PolarHBondContact O-N 3.03Å; A344-I351 HydrophobicContact CB-CD1 4.29Å; A344-I351 HydrophobicContact CB-CG1 4.04Å
345	V	95	Very high	95.2	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.018	7%	0.069	C	C	.	.	H	α-helix	trans	-73.1	-37.8	178.7	-57.9	0	0	0	0	112.3	F100 G103 F166 Q341 T342 L347 G348 I351	F100-V345 HydrophobicContact CD2-CB 4.18Å; F100-V345 HydrophobicContact CD2-CG1 4.26Å; G103-V345 WeakPolarHBondContact CA-O 3.39Å; F166-V345 HydrophobicContact CE2-CG1 3.96Å; F166-V345 HydrophobicContact CZ-CG1 3.56Å; Q341-V345 WeakPolarHBondContact O-CG2 3.28Å; Q341-V345 PolarHBondContact O-N 3.14Å; T342-V345 WeakPolarHBondContact O-CG2 3.48Å; V345-L347 PolarHBondContact O-N 3.17Å; V345-G348 PolarHBondContact O-N 3.28Å; V345-I351 HydrophobicContact CG1-CD1 3.8Å
346	F	95.4	Very high	94.8	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-51.7	-35.9	173.1	-177.9	-84.6	0	0	0	112	P89 D90 V93 A99 R102 K307 L310 T342 V343	P89-F346 HydrophobicContact CB-CE1 4.25Å; P89-F346 HydrophobicContact CB-CZ 4.31Å; P89-F346 HydrophobicContact CG-CE1 4.22Å; P89-F346 HydrophobicContact CG-CZ 4.03Å; D90-F346 HydrophobicContact CB-CE2 4.33Å; D90-F346 HydrophobicContact CB-CZ 3.75Å; V93-F346 HydrophobicContact CB-CD2 4.49Å; V93-F346 HydrophobicContact CB-CE2 3.82Å; V93-F346 HydrophobicContact CG1-CD2 3.95Å; V93-F346 HydrophobicContact CG1-CE2 3.73Å; V93-F346 HydrophobicContact CG2-CE2 4.07Å; A99-F346 HydrophobicContact CB-CB 4.22Å; A99-F346 HydrophobicContact CB-CD2 3.89Å; A99-F346 WeakPolarHBondContact O-CA 3.36Å; R102-F346 VanDerWaalsContact CZ-CE1 3.42Å; R102-F346 PolarHBondContact NH1-O 3.1Å; K307-F346 HydrophobicContact CG-CE2 4.5Å; L310-F346 HydrophobicContact CD2-CD1 3.61Å; L310-F346 HydrophobicContact CD2-CE1 3.43Å; L310-F346 VanDerWaalsContact CD2-CE1 3.43Å; L310-F346 HydrophobicContact CD2-CZ 4.44Å; T342-F346 WeakPolarHBondContact O-CB 3.47Å; T342-F346 PolarHBondContact O-N 3.07Å; V343-F346 PolarHBondContact O-N 3.23Å
347	L	93.1	Very high	94.4	Very high	40 Å²	40	17.4 Å²	17.4	21%	0.209	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	0.9	-179.9	-72.6	174.2	0	0	0	115.4	L310 V343 A344 V345 K349 W372	L310-L347 HydrophobicContact CD1-CD1 3.76Å; L310-L347 HydrophobicContact CD1-CD2 3.85Å; L310-L347 HydrophobicContact CD1-CG 4.08Å; L310-L347 HydrophobicContact CD2-CD2 4.05Å; L310-L347 HydrophobicContact CD2-CG 4.46Å; V343-L347 HydrophobicContact CG1-CD1 4.12Å; V343-L347 WeakPolarHBondContact O-CG 3.26Å; V343-L347 PolarHBondContact O-N 3.41Å; A344-L347 PolarHBondContact O-N 3.13Å; V345-L347 PolarHBondContact O-N 3.17Å; L347-K349 VanDerWaalsContact C-N 3.33Å; L347-K349 HydrophobicContact CB-CD 4.22Å; L347-K349 HydrophobicContact CB-CG 3.69Å; L347-K349 HydrophobicContact CD1-CG 4.49Å; L347-K349 PolarHBondContact O-N 3.42Å; L347-W372 HydrophobicContact CD1-CH2 3.55Å; L347-W372 HydrophobicContact CD1-CZ2 4.11Å
348	G	94.7	Very high	93.8	Very high	8 Å²	8	19.9 Å²	19.9	8%	0.082	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	31.5	-176.6	0	0	0	0	0	113.6	G103 Y128 A344 V345	G103-G348 VanDerWaalsContact O-CA 3.26Å; G103-G348 WeakPolarHBondContact O-CA 3.36Å; Y128-G348 VanDerWaalsContact OH-CA 3.27Å; Y128-G348 WeakPolarHBondContact OH-CA 3.39Å; A344-G348 PolarHBondContact O-N 2.79Å; V345-G348 PolarHBondContact O-N 3.28Å
349	K	94.6	Very high	93	Very high	14 Å²	14	22.6 Å²	22.6	6%	0.061	14%	0.137	C	C	.	.			trans	-95.5	158.9	-178	-52.7	-49.4	-166.3	174	0	112.7	Y128 L320 P321 S324 A344 L347 W372	Y128-K349 PolarHBondContact OH-N 3.29Å; Y128-K349 VanDerWaalsContact OH-N 3.14Å; Y128-K349 PolarHBondContact OH-O 3.24Å; L320-K349 PolarHBondContact O-NZ 3.19Å; P321-K349 PolarHBondContact O-NZ 3.42Å; S324-K349 WeakPolarHBondContact OG-CD 3.37Å; S324-K349 VanDerWaalsContact OG-CE 3.28Å; S324-K349 WeakPolarHBondContact OG-CE 3.46Å; S324-K349 WeakPolarHBondContact OG-CG 3.34Å; A344-K349 HydrophobicContact CB-CB 4.46Å; A344-K349 WeakPolarHBondContact O-CB 3.29Å; A344-K349 PolarHBondContact O-N 3.03Å; L347-K349 VanDerWaalsContact C-N 3.33Å; L347-K349 HydrophobicContact CB-CD 4.22Å; L347-K349 HydrophobicContact CB-CG 3.69Å; L347-K349 HydrophobicContact CD1-CG 4.49Å; L347-K349 PolarHBondContact O-N 3.42Å; K349-W372 HydrophobicContact CG-CZ2 4.46Å
350	R	96.8	Very high	92.6	Very high	63 Å²	63	26.6 Å²	26.6	24%	0.238	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.8	-178.6	-68.7	160.2	-165.1	-171.8	2.1	111.8	K111 C112 W125 S324 T325 Y326	K111-R350 HydrophobicContact CB-CG 3.85Å; K111-R350 WeakPolarHBondContact O-CG 3.22Å; C112-R350 CarbonylContact O-C 3.51Å; C112-R350 WeakPolarHBondContact O-CA 3.17Å; W125-R350 HydrophobicContact CH2-CB 3.84Å; W125-R350 HydrophobicContact CH2-CG 4.39Å; W125-R350 HydrophobicContact CZ3-CB 3.61Å; W125-R350 HydrophobicContact CZ3-CG 4Å; S324-R350 PolarHBondContact O-N 3.19Å; S324-R350 VanDerWaalsContact O-N 3.12Å; T325-R350 CarbonylContact C-O 3.51Å; T325-R350 VanDerWaalsContact CA-O 3.32Å; T325-R350 WeakPolarHBondContact CA-O 2.94Å; T325-R350 HydrophobicContact CG2-CB 4.12Å; Y326-R350 PolarHBondContact N-O 3.41Å
351	I	98.2	Very high	92.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.8	170	-63.5	169.9	0	0	0	108.2	C112 L113 G114 F166 Y326 Q341 A344 V345 F353	C112-I351 PolarHBondContact O-N 2.95Å; L113-I351 CarbonylContact C-O 3.28Å; L113-I351 WeakPolarHBondContact CA-O 3.49Å; L113-I351 HydrophobicContact CD2-CB 4.13Å; L113-I351 HydrophobicContact CD2-CD1 4.42Å; G114-I351 PolarHBondContact N-O 3.29Å; F166-I351 HydrophobicContact CD2-CD1 4.27Å; F166-I351 HydrophobicContact CE2-CD1 3.86Å; Y326-I351 HydrophobicContact CD1-CG1 4.33Å; Y326-I351 HydrophobicContact CD1-CG2 4.22Å; Q341-I351 HydrophobicContact CB-CD1 4.07Å; Q341-I351 HydrophobicContact CG-CD1 3.98Å; A344-I351 HydrophobicContact CB-CD1 4.29Å; A344-I351 HydrophobicContact CB-CG1 4.04Å; V345-I351 HydrophobicContact CG1-CD1 3.8Å; I351-F353 HydrophobicContact CG2-CE1 4.26Å; I351-F353 HydrophobicContact CG2-CE2 4.11Å; I351-F353 HydrophobicContact CG2-CZ 3.93Å
352	G	98	Very high	91.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.4	173.9	0	0	0	0	0	111.3	G114 Y326 I327 S328	G114-G352 CarbonylContact O-C 3.58Å; G114-G352 WeakPolarHBondContact O-CA 3.5Å; Y326-G352 PolarHBondContact O-N 3.31Å; I327-G352 CarbonylContact C-O 3.53Å; I327-G352 WeakPolarHBondContact CA-O 3.4Å; S328-G352 PolarHBondContact N-O 2.96Å
353	F	97.6	Very high	91.6	Very high	3 Å²	3	32 Å²	32	1%	0.013	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.2	178.3	-64.8	-78	0	0	0	111.6	L113 G114 Y123 N161 R162 P163 F166 S328 M332 I351	L113-F353 HydrophobicContact CB-CE2 4.2Å; L113-F353 HydrophobicContact CD2-CE2 4.03Å; L113-F353 HydrophobicContact CD2-CZ 4.4Å; L113-F353 HydrophobicContact CG-CE2 4.48Å; G114-F353 WeakPolarHBondContact O-CD2 3.32Å; G114-F353 PolarHBondContact O-N 3.1Å; Y123-F353 WeakPolarHBondContact CE1-O 3.34Å; Y123-F353 PolarHBondContact OH-O 3.24Å; N161-F353 VanDerWaalsContact C-CD1 3.47Å; N161-F353 HydrophobicContact CB-CD1 3.71Å; N161-F353 HydrophobicContact CB-CE1 4.1Å; R162-F353 WeakPolarHBondContact O-CZ 3.41Å; P163-F353 HydrophobicContact CB-CE2 4.32Å; P163-F353 HydrophobicContact CG-CD2 3.78Å; P163-F353 HydrophobicContact CG-CE2 4Å; F166-F353 HydrophobicContact CB-CZ 4.09Å; S328-F353 WeakPolarHBondContact OG-CD1 3.22Å; S328-F353 WeakPolarHBondContact OG-CE1 3.36Å; M332-F353 HydrophobicContact SD-CE1 3.95Å; I351-F353 HydrophobicContact CG2-CE1 4.26Å; I351-F353 HydrophobicContact CG2-CE2 4.11Å; I351-F353 HydrophobicContact CG2-CZ 3.93Å
354	Y	94.6	Very high	91.5	Very high	23 Å²	23	31.9 Å²	31.9	9%	0.09	18%	0.177	C	C	.	.			trans	-59.7	169.5	170.3	81.5	-45.4	0	0	0	112.4	N161 S328 G356 V358	N161-Y354 HydrophobicContact CB-CD1 4.3Å; N161-Y354 HydrophobicContact CB-CE1 3.91Å; S328-Y354 WeakPolarHBondContact O-CD1 3.46Å; S328-Y354 PolarHBondContact O-N 3.45Å; Y354-G356 VanDerWaalsContact CE2-CA 3.48Å; Y354-G356 WeakPolarHBondContact CE2-O 3.41Å; Y354-G356 PolarHBondContact O-N 3.04Å; Y354-G356 PolarHBondContact OH-O 3.27Å; Y354-V358 HydrophobicContact CE2-CG2 3.95Å
355	S	91.5	Very high	91.5	Very high	43 Å²	43	31.9 Å²	31.9	30%	0.301	18%	0.177	S	C	.	.			trans	-73.6	9.6	-177.1	59.8	0	0	0	0	115.3	N357 D364	S355-N357 VanDerWaalsContact C-N 3.26Å; S355-N357 PolarHBondContact O-N 3.2Å; S355-D364 WeakPolarHBondContact CB-OD1 3.42Å; S355-D364 VanDerWaalsContact CB-OD2 3.31Å; S355-D364 WeakPolarHBondContact CB-OD2 3.5Å; S355-D364 PolarHBondContact N-OD2 3.19Å; S355-D364 PolarHBondContact OG-OD1 2.98Å; S355-D364 PolarHBondContact OG-OD2 2.86Å
356	G	86.7	Confident	91.4	Very high	41 Å²	41	36 Å²	36	42%	0.423	20%	0.195	S	C	.	.	S	Bend	trans	85.6	-12.8	-173.1	0	0	0	0	0	114.1	Y354	Y354-G356 VanDerWaalsContact CE2-CA 3.48Å; Y354-G356 WeakPolarHBondContact CE2-O 3.41Å; Y354-G356 PolarHBondContact O-N 3.04Å; Y354-G356 PolarHBondContact OH-O 3.27Å
357	N	84.2	Confident	91.4	Very high	76 Å²	76	37.2 Å²	37.2	41%	0.406	21%	0.205	S	C	.	.			trans	-120.2	109.6	-177.3	-171.7	-20.8	0	0	0	112.6	S355 S359 R360	S355-N357 VanDerWaalsContact C-N 3.26Å; S355-N357 PolarHBondContact O-N 3.2Å; N357-S359 PolarHBondContact ND2-OG 2.86Å; N357-S359 PolarHBondContact O-N 3.45Å; N357-S359 VanDerWaalsContact O-N 3.16Å; N357-S359 VanDerWaalsContact OD1-CB 3.29Å; N357-S359 WeakPolarHBondContact OD1-CB 3.34Å; N357-S359 PolarHBondContact OD1-N 2.91Å; N357-S359 PolarHBondContact OD1-OG 2.94Å; N357-R360 HydrophobicContact CB-CG 4.31Å; N357-R360 PolarHBondContact O-N 3.48Å
358	V	81.5	Confident	91.5	Very high	51 Å²	51	35.6 Å²	35.6	31%	0.309	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-61.2	-25.4	-179.5	-178.5	0	0	0	0	112.5	Y354 R360 L361	Y354-V358 HydrophobicContact CE2-CG2 3.95Å; V358-R360 PolarHBondContact O-N 3.36Å; V358-L361 VanDerWaalsContact O-CB 3.25Å; V358-L361 WeakPolarHBondContact O-CB 3.26Å; V358-L361 PolarHBondContact O-N 3.05Å
359	S	80.1	Confident	91.5	Very high	66 Å²	66	39.9 Å²	39.9	46%	0.462	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-64.4	-25.3	174.7	72.4	0	0	0	0	113	N357	N357-S359 PolarHBondContact ND2-OG 2.86Å; N357-S359 PolarHBondContact O-N 3.45Å; N357-S359 VanDerWaalsContact O-N 3.16Å; N357-S359 VanDerWaalsContact OD1-CB 3.29Å; N357-S359 WeakPolarHBondContact OD1-CB 3.34Å; N357-S359 PolarHBondContact OD1-N 2.91Å; N357-S359 PolarHBondContact OD1-OG 2.94Å
360	R	86.4	Confident	91.6	Very high	93 Å²	93	39.2 Å²	39.2	35%	0.351	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-97.8	9.1	178.9	-56.1	-175.8	72.8	179.2	6.5	113.3	N357 V358 M362 D363 D364	N357-R360 HydrophobicContact CB-CG 4.31Å; N357-R360 PolarHBondContact O-N 3.48Å; V358-R360 PolarHBondContact O-N 3.36Å; R360-M362 PolarHBondContact O-N 3.06Å; R360-M362 VanDerWaalsContact O-N 3.12Å; R360-D363 WeakPolarHBondContact O-CB 3.15Å; R360-D363 PolarHBondContact O-N 3.27Å; R360-D364 PolarHBondContact O-N 3.39Å
361	L	88.1	Confident	91.5	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-55.8	-35.2	-175	-176.4	62.7	0	0	0	112.9	I327 Y329 V358 D364 M365 V379	I327-L361 HydrophobicContact CD1-CD1 3.77Å; Y329-L361 HydrophobicContact CD1-CD1 3.88Å; Y329-L361 HydrophobicContact CD1-CD2 4.31Å; Y329-L361 HydrophobicContact CD2-CD1 4.11Å; Y329-L361 HydrophobicContact CD2-CD2 3.81Å; Y329-L361 HydrophobicContact CE1-CD1 4.48Å; Y329-L361 HydrophobicContact CE1-CD2 4.18Å; Y329-L361 HydrophobicContact CE2-CD2 3.68Å; Y329-L361 HydrophobicContact CG-CD1 3.67Å; Y329-L361 HydrophobicContact CG-CD2 4.14Å; V358-L361 VanDerWaalsContact O-CB 3.25Å; V358-L361 WeakPolarHBondContact O-CB 3.26Å; V358-L361 PolarHBondContact O-N 3.05Å; L361-D364 PolarHBondContact O-N 2.79Å; L361-M365 HydrophobicContact CG-CE 4.14Å; L361-M365 WeakPolarHBondContact O-CB 3.37Å; L361-M365 VanDerWaalsContact O-CG 3.31Å; L361-M365 WeakPolarHBondContact O-CG 3.2Å; L361-M365 PolarHBondContact O-N 3.42Å; L361-V379 HydrophobicContact CD2-CG1 4.3Å
362	M	87.3	Confident	91.2	Very high	50 Å²	50	37.6 Å²	37.6	25%	0.246	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-43.5	176	-67.8	159.6	178.8	0	0	112	R360 D364 M365 K366 R382 I383 T386 F435	R360-M362 PolarHBondContact O-N 3.06Å; R360-M362 VanDerWaalsContact O-N 3.12Å; M362-D364 VanDerWaalsContact C-N 3.3Å; M362-D364 PolarHBondContact O-N 2.87Å; M362-M365 HydrophobicContact CG-CE 4.11Å; M362-M365 PolarHBondContact O-N 3.28Å; M362-K366 WeakPolarHBondContact O-CB 3.27Å; M362-K366 PolarHBondContact O-N 3.36Å; M362-R382 HydrophobicContact CE-CG 4.36Å; M362-I383 HydrophobicContact CE-CG1 4.11Å; M362-T386 HydrophobicContact CE-CG2 4.42Å; M362-F435 HydrophobicContact CG-CE1 4.35Å
363	D	90.3	Very high	91	Very high	81 Å²	81	37.7 Å²	37.7	43%	0.433	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-39.9	174.2	-65.1	-26.5	0	0	0	111.4	R360 K366 A367	R360-D363 WeakPolarHBondContact O-CB 3.15Å; R360-D363 PolarHBondContact O-N 3.27Å; D363-K366 WeakPolarHBondContact O-CB 3.41Å; D363-K366 PolarHBondContact O-N 3.27Å; D363-A367 WeakPolarHBondContact O-CB 3.34Å; D363-A367 PolarHBondContact O-N 2.96Å
364	D	93.5	Very high	90.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-43.4	177.6	-70.8	-29.1	0	0	0	111.5	R116 S355 R360 L361 M362 K366 A367 L368	R116-D364 VanDerWaalsContact CD-OD1 3.26Å; R116-D364 WeakPolarHBondContact CD-OD1 3.49Å; R116-D364 IonicContact CZ-OD1 2.74Å; R116-D364 IonicContact NE-OD1 2.88Å; R116-D364 IonicContact NH1-OD1 3.48Å; R116-D364 PolarHBondContact NH1-OD1 3.07Å; S355-D364 WeakPolarHBondContact CB-OD1 3.42Å; S355-D364 VanDerWaalsContact CB-OD2 3.31Å; S355-D364 WeakPolarHBondContact CB-OD2 3.5Å; S355-D364 PolarHBondContact N-OD2 3.19Å; S355-D364 PolarHBondContact OG-OD1 2.98Å; S355-D364 PolarHBondContact OG-OD2 2.86Å; R360-D364 PolarHBondContact O-N 3.39Å; L361-D364 PolarHBondContact O-N 2.79Å; M362-D364 VanDerWaalsContact C-N 3.3Å; M362-D364 PolarHBondContact O-N 2.87Å; D364-K366 VanDerWaalsContact C-N 3.34Å; D364-K366 PolarHBondContact O-N 3.04Å; D364-A367 PolarHBondContact O-N 2.86Å; D364-L368 WeakPolarHBondContact O-CB 3.37Å; D364-L368 PolarHBondContact O-N 3.47Å
365	M	93.5	Very high	90.5	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-40	173.4	-73.1	-172.4	-70.5	0	0	111.8	I327 L361 M362 A367 K369 P370 L373 F435	I327-M365 HydrophobicContact CD1-CG 3.53Å; L361-M365 HydrophobicContact CG-CE 4.14Å; L361-M365 WeakPolarHBondContact O-CB 3.37Å; L361-M365 VanDerWaalsContact O-CG 3.31Å; L361-M365 WeakPolarHBondContact O-CG 3.2Å; L361-M365 PolarHBondContact O-N 3.42Å; M362-M365 HydrophobicContact CG-CE 4.11Å; M362-M365 PolarHBondContact O-N 3.28Å; M365-A367 VanDerWaalsContact C-N 3.34Å; M365-A367 PolarHBondContact O-N 2.81Å; M365-K369 VanDerWaalsContact O-CA 3.29Å; M365-K369 WeakPolarHBondContact O-CA 3.43Å; M365-K369 PolarHBondContact O-N 3.45Å; M365-P370 HydrophobicContact CB-CG 4.23Å; M365-P370 HydrophobicContact CG-CG 4.05Å; M365-P370 WeakPolarHBondContact O-CD 3.25Å; M365-L373 HydrophobicContact SD-CD1 3.91Å; M365-L373 HydrophobicContact SD-CD2 4.21Å; M365-F435 HydrophobicContact CE-CD1 3.63Å; M365-F435 HydrophobicContact CE-CE1 4.01Å; M365-F435 HydrophobicContact SD-CD1 4.24Å
366	K	93.1	Very high	90.2	Very high	89 Å²	89	34.7 Å²	34.7	39%	0.387	19%	0.187	S	C	.	.	H	α-helix	trans	-61.9	-42.1	177	-168.2	171.4	-171.5	165	0	112	M362 D363 D364 K369 E434	M362-K366 WeakPolarHBondContact O-CB 3.27Å; M362-K366 PolarHBondContact O-N 3.36Å; D363-K366 WeakPolarHBondContact O-CB 3.41Å; D363-K366 PolarHBondContact O-N 3.27Å; D364-K366 VanDerWaalsContact C-N 3.34Å; D364-K366 PolarHBondContact O-N 3.04Å; K366-K369 WeakPolarHBondContact O-CG 3.37Å; K366-E434 VanDerWaalsContact NZ-CD 3.26Å; K366-E434 IonicContact NZ-OE1 3.88Å; K366-E434 PolarHBondContact NZ-OE1 2.8Å; K366-E434 IonicContact NZ-OE2 2.61Å; K366-E434 PolarHBondContact NZ-OE2 2.85Å
367	A	94.8	Very high	89.8	Confident	29 Å²	29	33.2 Å²	33.2	24%	0.24	17%	0.171	C	C	.	.	H	α-helix	trans	-73.3	-47	177.7	0	0	0	0	0	112.7	Y123 D363 D364 M365	Y123-A367 HydrophobicContact CD2-CB 4.29Å; Y123-A367 HydrophobicContact CE2-CB 3.93Å; D363-A367 WeakPolarHBondContact O-CB 3.34Å; D363-A367 PolarHBondContact O-N 2.96Å; D364-A367 PolarHBondContact O-N 2.86Å; M365-A367 VanDerWaalsContact C-N 3.34Å; M365-A367 PolarHBondContact O-N 2.81Å
368	L	96	Very high	89.3	Confident	6 Å²	6	34 Å²	34	3%	0.031	17%	0.168	C	C	.	.	H	α-helix	trans	-72	-33.2	-177.2	-175	57.3	0	0	0	112.7	Y123 W125 T325 I327 D364 P370 R438	Y123-L368 HydrophobicContact CD1-CD1 3.71Å; Y123-L368 HydrophobicContact CD2-CB 4.18Å; Y123-L368 HydrophobicContact CD2-CD1 4.11Å; Y123-L368 HydrophobicContact CE1-CB 4.35Å; Y123-L368 HydrophobicContact CE1-CD1 3.68Å; Y123-L368 HydrophobicContact CE1-CD2 4.32Å; Y123-L368 HydrophobicContact CE1-CG 4.33Å; Y123-L368 HydrophobicContact CE2-CB 3.58Å; Y123-L368 HydrophobicContact CE2-CD1 4.1Å; Y123-L368 HydrophobicContact CE2-CG 4.37Å; Y123-L368 HydrophobicContact CG-CD1 3.92Å; W125-L368 HydrophobicContact CH2-CD1 3.92Å; W125-L368 HydrophobicContact CZ2-CD1 3.78Å; T325-L368 HydrophobicContact CG2-CD1 3.72Å; T325-L368 HydrophobicContact CG2-CD2 4.14Å; T325-L368 HydrophobicContact CG2-CG 3.9Å; I327-L368 HydrophobicContact CB-CD2 3.77Å; I327-L368 HydrophobicContact CD1-CD2 4.15Å; I327-L368 HydrophobicContact CG1-CD2 3.77Å; D364-L368 WeakPolarHBondContact O-CB 3.37Å; D364-L368 PolarHBondContact O-N 3.47Å; L368-P370 HydrophobicContact CD2-CB 4.38Å; L368-R438 PolarHBondContact O-NH2 3.44Å; L368-R438 VanDerWaalsContact O-NH2 3.13Å
369	K	95.3	Very high	89.3	Confident	99 Å²	99	32 Å²	32	43%	0.43	16%	0.156	S	C	.	.			trans	52.8	60.6	-171.6	-53.1	178.9	-179.6	177.7	0	111.3	M365 K366 G436 R438	M365-K369 VanDerWaalsContact O-CA 3.29Å; M365-K369 WeakPolarHBondContact O-CA 3.43Å; M365-K369 PolarHBondContact O-N 3.45Å; K366-K369 WeakPolarHBondContact O-CG 3.37Å; K369-G436 WeakPolarHBondContact CB-O 3.26Å; K369-G436 WeakPolarHBondContact CG-O 3.26Å; K369-R438 HydrophobicContact CB-CG 4.34Å; K369-R438 VanDerWaalsContact CB-NE 3.31Å; K369-R438 PolarHBondContact O-NE 3.14Å; K369-R438 PolarHBondContact O-NH2 3.49Å
370	P	95.8	Very high	89.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.			trans	-66.5	157.2	-174.2	30.4	-35.1	0	0	0	111.5	I327 M365 L368 R438 M439	I327-P370 HydrophobicContact CB-CB 4.01Å; I327-P370 HydrophobicContact CB-CG 4.35Å; I327-P370 HydrophobicContact CG2-CB 4.17Å; I327-P370 HydrophobicContact CG2-CG 4.31Å; M365-P370 HydrophobicContact CB-CG 4.23Å; M365-P370 HydrophobicContact CG-CG 4.05Å; M365-P370 WeakPolarHBondContact O-CD 3.25Å; L368-P370 HydrophobicContact CD2-CB 4.38Å; P370-R438 CarbonylContact O-C 3.47Å; P370-R438 VanDerWaalsContact O-C 3.28Å; P370-M439 WeakPolarHBondContact O-CA 3.38Å; P370-M439 PolarHBondContact O-N 3.29Å
371	H	94.4	Very high	89.1	Confident	9 Å²	9	26 Å²	26	4%	0.042	13%	0.128	C	C	.	.	S	Bend	trans	-99.5	-31	170.4	-60.3	76.8	0	0	0	110.9	L320 Y323 T325 R438 A440 V441	L320-H371 HydrophobicContact CD2-CB 4.28Å; Y323-H371 AromaticContact CD2-CE1 3.88Å; Y323-H371 AromaticContact CD2-NE2 3.96Å; Y323-H371 AromaticContact CE2-CE1 3.86Å; Y323-H371 AromaticContact CE2-NE2 3.5Å; Y323-H371 WeakPolarHBondContact CE2-NE2 3.37Å; T325-H371 PolarHBondContact N-ND1 2.73Å; T325-H371 VanDerWaalsContact N-ND1 3.17Å; T325-H371 PolarHBondContact O-N 3.39Å; H371-R438 PolarHBondContact CD2-O 3.34Å; H371-R438 VanDerWaalsContact CE1-CZ 3.47Å; H371-A440 PolarHBondContact O-N 2.74Å; H371-V441 PolarHBondContact O-N 2.97Å
372	W	93.3	Very high	88.6	Confident	20 Å²	20	31 Å²	31	8%	0.076	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.3	-176	-52.5	6.6	0	0	0	108.7	L313 L320 T325 Y326 I327 V343 L347 K349 V441	L313-W372 HydrophobicContact CD1-CH2 4.41Å; L320-W372 HydrophobicContact CB-CZ2 4.3Å; L320-W372 HydrophobicContact CD1-CD2 4.37Å; L320-W372 HydrophobicContact CD1-CZ2 3.48Å; L320-W372 VanDerWaalsContact CD1-CZ2 3.48Å; L320-W372 HydrophobicContact CG-CZ2 4.43Å; T325-W372 PolarHBondContact O-N 3.49Å; T325-W372 VanDerWaalsContact O-N 3.17Å; Y326-W372 HydrophobicContact CD2-CB 3.99Å; Y326-W372 HydrophobicContact CD2-CE3 4.17Å; I327-W372 PolarHBondContact N-O 2.87Å; V343-W372 HydrophobicContact CG1-CH2 4.02Å; V343-W372 HydrophobicContact CG1-CZ3 3.87Å; L347-W372 HydrophobicContact CD1-CH2 3.55Å; L347-W372 HydrophobicContact CD1-CZ2 4.11Å; K349-W372 HydrophobicContact CG-CZ2 4.46Å; W372-V441 WeakPolarHBondContact CA-O 3.38Å
373	L	93.6	Very high	88.4	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.9	175.5	176.6	61.8	0	0	0	109	I327 Y329 M365 A375 I383 M439 V441 C442 I443	I327-L373 HydrophobicContact CG2-CD1 3.71Å; Y329-L373 HydrophobicContact CE1-CD1 3.91Å; M365-L373 HydrophobicContact SD-CD1 3.91Å; M365-L373 HydrophobicContact SD-CD2 4.21Å; L373-A375 HydrophobicContact CG-CB 4.41Å; L373-A375 PolarHBondContact O-N 3.08Å; L373-I383 HydrophobicContact CD2-CD1 4.4Å; L373-M439 HydrophobicContact CB-SD 4.03Å; L373-M439 HydrophobicContact CD2-SD 3.89Å; L373-V441 PolarHBondContact N-O 3.2Å; L373-C442 HydrophobicContact CB-CB 4.45Å; L373-C442 VanDerWaalsContact O-CA 3.32Å; L373-C442 WeakPolarHBondContact O-CA 3.27Å; L373-I443 PolarHBondContact O-N 3.32Å
374	P	92.4	Very high	88.1	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.013	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	116.3	163.8	34.2	-36.8	0	0	0	107.3	Y326 I327 Y329 L330 Y336	Y326-P374 HydrophobicContact CE2-CB 3.9Å; Y326-P374 HydrophobicContact CE2-CG 3.58Å; Y326-P374 WeakPolarHBondContact OH-CB 3.22Å; Y326-P374 VanDerWaalsContact OH-CG 3.27Å; Y326-P374 WeakPolarHBondContact OH-CG 3.04Å; I327-P374 WeakPolarHBondContact O-CD 3.31Å; I327-P374 WeakPolarHBondContact O-CG 3.06Å; Y329-P374 HydrophobicContact CD1-CG 4.33Å; Y329-P374 HydrophobicContact CE1-CG 3.92Å; Y329-P374 WeakPolarHBondContact CE1-O 3.37Å; Y329-P374 PolarHBondContact OH-O 3.08Å; L330-P374 HydrophobicContact CD1-CB 3.83Å; L330-P374 HydrophobicContact CD1-CG 4.39Å; L330-P374 HydrophobicContact CG-CB 4.43Å; L330-P374 HydrophobicContact CG-CG 4.48Å; Y336-P374 HydrophobicContact CE1-CB 4.47Å
375	A	89.3	Confident	87.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	159.2	-178.5	0	0	0	0	0	111.6	L373 L380 C442 I443 S444 G445	L373-A375 HydrophobicContact CG-CB 4.41Å; L373-A375 PolarHBondContact O-N 3.08Å; A375-L380 HydrophobicContact CB-CD1 4.49Å; A375-L380 HydrophobicContact CB-CD2 3.84Å; A375-L380 HydrophobicContact CB-CG 3.96Å; A375-C442 VanDerWaalsContact CB-SG 3.59Å; A375-I443 WeakPolarHBondContact CA-O 3.13Å; A375-I443 PolarHBondContact N-O 3.25Å; A375-S444 WeakPolarHBondContact O-CA 3.12Å; A375-G445 PolarHBondContact O-N 2.77Å
376	V	83.7	Confident	86.8	Confident	3 Å²	3	32 Å²	32	2%	0.018	15%	0.154	C	C	.	.			trans	-122.1	157.5	162.9	-65.2	0	0	0	0	107.6	L330 R378 V379 L380	L330-V376 HydrophobicContact CD2-CG1 4.11Å; V376-R378 PolarHBondContact O-N 3.43Å; V376-R378 VanDerWaalsContact O-N 3.08Å; V376-V379 HydrophobicContact CG2-CB 4.2Å; V376-V379 HydrophobicContact CG2-CG2 3.68Å; V376-V379 PolarHBondContact O-N 2.61Å; V376-L380 PolarHBondContact O-N 3.02Å
377	P	78.2	Confident	86.3	Confident	11 Å²	11	28.7 Å²	28.7	7%	0.071	14%	0.142	C	C	.	.	H	α-helix	trans	-50.5	-42.1	-175.5	-28.9	32.8	0	0	0	112.8	V379 L380 S381 G445 A447 P448 T449	P377-V379 VanDerWaalsContact C-N 3.31Å; P377-V379 PolarHBondContact O-N 2.9Å; P377-L380 CarbonylContact O-C 3.57Å; P377-L380 WeakPolarHBondContact O-CB 3.46Å; P377-L380 PolarHBondContact O-N 3.36Å; P377-L380 VanDerWaalsContact O-N 3.09Å; P377-S381 PolarHBondContact O-N 2.91Å; P377-S381 PolarHBondContact O-OG 2.94Å; P377-S381 VanDerWaalsContact O-OG 3.11Å; P377-G445 WeakPolarHBondContact CD-O 3.35Å; P377-A447 VanDerWaalsContact CG-C 3.41Å; P377-A447 HydrophobicContact CG-CB 3.68Å; P377-A447 WeakPolarHBondContact CG-O 3.07Å; P377-P448 WeakPolarHBondContact CB-O 3.37Å; P377-P448 VanDerWaalsContact CG-O 3.31Å; P377-P448 WeakPolarHBondContact CG-O 3.43Å; P377-T449 HydrophobicContact CB-CG2 4.3Å; P377-T449 WeakPolarHBondContact CB-OG1 3.12Å; P377-T449 VanDerWaalsContact CG-OG1 3.29Å; P377-T449 WeakPolarHBondContact CG-OG1 3.17Å
378	R	73.6	Confident	85.7	Confident	91 Å²	91	29.5 Å²	29.5	34%	0.343	14%	0.138	S	C	.	.	H	α-helix	trans	-62.2	-34.5	179.6	-166.2	175.3	-179.2	168.2	-6.6	113.9	V376 R382 L695	V376-R378 PolarHBondContact O-N 3.43Å; V376-R378 VanDerWaalsContact O-N 3.08Å; R378-R382 VanDerWaalsContact O-CB 3.26Å; R378-R382 WeakPolarHBondContact O-CB 3.45Å; R378-R382 PolarHBondContact O-N 3.02Å; R378-L695 HydrophobicContact CB-CB 4.49Å; R378-L695 PolarHBondContact NH1-O 2.88Å
379	V	82.3	Confident	84.8	Confident	11 Å²	11	32 Å²	32	7%	0.067	16%	0.156	C	C	.	.	H	α-helix	trans	-70.1	-41.4	175	172.3	0	0	0	0	109.9	Y329 L361 V376 P377 R382 I383	Y329-V379 HydrophobicContact CE2-CG2 4.16Å; L361-V379 HydrophobicContact CD2-CG1 4.3Å; V376-V379 HydrophobicContact CG2-CB 4.2Å; V376-V379 HydrophobicContact CG2-CG2 3.68Å; V376-V379 PolarHBondContact O-N 2.61Å; P377-V379 VanDerWaalsContact C-N 3.31Å; P377-V379 PolarHBondContact O-N 2.9Å; V379-R382 PolarHBondContact O-N 2.81Å; V379-I383 HydrophobicContact CG1-CD1 4.06Å; V379-I383 VanDerWaalsContact O-CG1 3.26Å; V379-I383 WeakPolarHBondContact O-CG1 3.14Å; V379-I383 PolarHBondContact O-N 3.05Å
380	L	84.1	Confident	84	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-45.2	175.1	-64.4	-173.6	0	0	0	112.3	A375 V376 P377 I383 H384 T449 V453 L454 V465	A375-L380 HydrophobicContact CB-CD1 4.49Å; A375-L380 HydrophobicContact CB-CD2 3.84Å; A375-L380 HydrophobicContact CB-CG 3.96Å; V376-L380 PolarHBondContact O-N 3.02Å; P377-L380 CarbonylContact O-C 3.57Å; P377-L380 WeakPolarHBondContact O-CB 3.46Å; P377-L380 PolarHBondContact O-N 3.36Å; P377-L380 VanDerWaalsContact O-N 3.09Å; L380-I383 PolarHBondContact O-N 3.19Å; L380-H384 WeakPolarHBondContact O-CB 3.45Å; L380-H384 PolarHBondContact O-N 3.37Å; L380-T449 HydrophobicContact CD1-CG2 4.42Å; L380-V453 HydrophobicContact CB-CG1 3.83Å; L380-L454 HydrophobicContact CD1-CD2 4.02Å; L380-V465 HydrophobicContact CD1-CG1 4.2Å
381	S	78.5	Confident	83.3	Confident	33 Å²	33	32.2 Å²	32.2	23%	0.231	17%	0.165	C	C	.	.	H	α-helix	trans	-59.5	-47	174.3	-58.6	0	0	0	0	110.6	P377 I383 H384 D385	P377-S381 PolarHBondContact O-N 2.91Å; P377-S381 PolarHBondContact O-OG 2.94Å; P377-S381 VanDerWaalsContact O-OG 3.11Å; S381-I383 VanDerWaalsContact C-N 3.32Å; S381-I383 PolarHBondContact O-N 2.87Å; S381-H384 CarbonylContact O-C 3.46Å; S381-H384 WeakPolarHBondContact O-CA 3.23Å; S381-H384 WeakPolarHBondContact O-CB 3.4Å; S381-H384 PolarHBondContact O-N 2.7Å; S381-H384 VanDerWaalsContact O-N 3.1Å; S381-D385 WeakPolarHBondContact O-CB 3.48Å; S381-D385 PolarHBondContact O-N 2.98Å; S381-D385 VanDerWaalsContact O-OD2 3.09Å
382	R	77.7	Confident	82.4	Confident	113 Å²	113	36.9 Å²	36.9	43%	0.426	19%	0.185	S	C	.	.	H	α-helix	trans	-58.8	-42.5	176.5	-173.8	176.5	-179.3	-170.4	-2.4	112.5	M362 R378 V379 T386	M362-R382 HydrophobicContact CE-CG 4.36Å; R378-R382 VanDerWaalsContact O-CB 3.26Å; R378-R382 WeakPolarHBondContact O-CB 3.45Å; R378-R382 PolarHBondContact O-N 3.02Å; V379-R382 PolarHBondContact O-N 2.81Å; R382-T386 VanDerWaalsContact O-CB 3.27Å; R382-T386 WeakPolarHBondContact O-CB 3.48Å; R382-T386 PolarHBondContact O-N 3.39Å; R382-T386 PolarHBondContact O-OG1 3.3Å
383	I	83	Confident	81.6	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-48.4	175.4	-72.6	169.2	0	0	0	110.3	M362 L373 V379 L380 S381 V387 F435 M460	M362-I383 HydrophobicContact CE-CG1 4.11Å; L373-I383 HydrophobicContact CD2-CD1 4.4Å; V379-I383 HydrophobicContact CG1-CD1 4.06Å; V379-I383 VanDerWaalsContact O-CG1 3.26Å; V379-I383 WeakPolarHBondContact O-CG1 3.14Å; V379-I383 PolarHBondContact O-N 3.05Å; L380-I383 PolarHBondContact O-N 3.19Å; S381-I383 VanDerWaalsContact C-N 3.32Å; S381-I383 PolarHBondContact O-N 2.87Å; I383-V387 WeakPolarHBondContact O-CG2 3.43Å; I383-V387 PolarHBondContact O-N 3.08Å; I383-F435 HydrophobicContact CB-CZ 4.45Å; I383-F435 HydrophobicContact CD1-CE1 4Å; I383-F435 HydrophobicContact CG1-CE1 3.85Å; I383-F435 HydrophobicContact CG1-CZ 4.27Å; I383-F435 HydrophobicContact CG2-CE1 3.96Å; I383-F435 HydrophobicContact CG2-CE2 4.32Å; I383-F435 HydrophobicContact CG2-CZ 3.57Å; I383-M460 HydrophobicContact CG2-CE 3.69Å; I383-M460 HydrophobicContact CG2-SD 4.35Å
384	H	84.6	Confident	81.1	Confident	13 Å²	13	44.6 Å²	44.6	6%	0.06	23%	0.231	C	C	.	.	H	α-helix	trans	-56.4	-52.8	177	172.9	-92	0	0	0	111.5	L380 S381 T386 V387 W388 V453	L380-H384 WeakPolarHBondContact O-CB 3.45Å; L380-H384 PolarHBondContact O-N 3.37Å; S381-H384 CarbonylContact O-C 3.46Å; S381-H384 WeakPolarHBondContact O-CA 3.23Å; S381-H384 WeakPolarHBondContact O-CB 3.4Å; S381-H384 PolarHBondContact O-N 2.7Å; S381-H384 VanDerWaalsContact O-N 3.1Å; H384-T386 PolarHBondContact O-N 2.86Å; H384-V387 PolarHBondContact O-N 3.3Å; H384-W388 AromaticContact CD2-CD1 3.62Å; H384-W388 AromaticContact CD2-NE1 3.43Å; H384-W388 PolarHBondContact CD2-NE1 3.48Å; H384-W388 AromaticContact CE1-CD1 3.23Å; H384-W388 AromaticContact CE1-NE1 3.28Å; H384-W388 PolarHBondContact CE1-NE1 3.2Å; H384-W388 VanDerWaalsContact CE1-NE1 3.28Å; H384-W388 AromaticContact CG-CD1 3.74Å; H384-W388 AromaticContact ND1-CD1 3.5Å; H384-W388 AromaticContact ND1-NE1 3.95Å; H384-W388 AromaticContact NE2-CD1 3.29Å; H384-W388 VanDerWaalsContact NE2-CD1 3.29Å; H384-W388 AromaticContact NE2-NE1 2.88Å; H384-W388 PolarHBondContact NE2-NE1 2.94Å; H384-W388 PolarHBondContact O-N 2.97Å; H384-V453 HydrophobicContact CB-CG1 4.23Å; H384-V453 HydrophobicContact CB-CG2 4.37Å
385	D	77.6	Confident	80.6	Confident	80 Å²	80	49.4 Å²	49.4	43%	0.428	26%	0.262	S	S	.	.	H	α-helix	trans	-69.9	-35	-172.9	-59.2	-21.9	0	0	0	111.8	S381 V387 W388 S389	S381-D385 WeakPolarHBondContact O-CB 3.48Å; S381-D385 PolarHBondContact O-N 2.98Å; S381-D385 VanDerWaalsContact O-OD2 3.09Å; D385-V387 VanDerWaalsContact C-N 3.32Å; D385-V387 PolarHBondContact O-N 3.25Å; D385-W388 PolarHBondContact O-N 2.78Å; D385-S389 VanDerWaalsContact O-CB 3.27Å; D385-S389 WeakPolarHBondContact O-CB 3.5Å; D385-S389 PolarHBondContact O-N 3.27Å; D385-S389 PolarHBondContact O-OG 3.07Å
386	T	80.4	Confident	80.3	Confident	56 Å²	56	55.3 Å²	55.3	34%	0.344	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-40.2	173.9	-57.9	0	0	0	0	111.5	M362 R382 H384 S389 T390	M362-T386 HydrophobicContact CE-CG2 4.42Å; R382-T386 VanDerWaalsContact O-CB 3.27Å; R382-T386 WeakPolarHBondContact O-CB 3.48Å; R382-T386 PolarHBondContact O-N 3.39Å; R382-T386 PolarHBondContact O-OG1 3.3Å; H384-T386 PolarHBondContact O-N 2.86Å; T386-S389 PolarHBondContact O-OG 2.89Å; T386-T390 PolarHBondContact O-N 3.08Å; T386-T390 PolarHBondContact O-OG1 3.09Å
387	V	83.3	Confident	80.3	Confident	20 Å²	20	60.6 Å²	60.6	12%	0.121	32%	0.315	C	S	.	.	H	α-helix	trans	-69.4	-44.8	176.6	174.1	0	0	0	0	110.3	I383 H384 D385 T390 L391 F401 I431 M460	I383-V387 WeakPolarHBondContact O-CG2 3.43Å; I383-V387 PolarHBondContact O-N 3.08Å; H384-V387 PolarHBondContact O-N 3.3Å; D385-V387 VanDerWaalsContact C-N 3.32Å; D385-V387 PolarHBondContact O-N 3.25Å; V387-T390 PolarHBondContact O-N 3.43Å; V387-L391 HydrophobicContact CG1-CD1 4.16Å; V387-L391 WeakPolarHBondContact O-CG 3.49Å; V387-L391 PolarHBondContact O-N 3.05Å; V387-F401 HydrophobicContact CG1-CE1 4.23Å; V387-F401 HydrophobicContact CG1-CE2 3.96Å; V387-F401 HydrophobicContact CG1-CZ 3.7Å; V387-I431 HydrophobicContact CG1-CD1 4.21Å; V387-I431 HydrophobicContact CG2-CG2 4.36Å; V387-M460 HydrophobicContact CB-SD 4.47Å; V387-M460 HydrophobicContact CG2-SD 3.92Å
388	W	81.6	Confident	80.7	Confident	46 Å²	46	66.2 Å²	66.2	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-66.8	-38.3	179.6	-80.6	110.4	0	0	0	113.7	H384 D385 T390 L391 K392 R398 F401 S402	H384-W388 AromaticContact CD2-CD1 3.62Å; H384-W388 AromaticContact CD2-NE1 3.43Å; H384-W388 PolarHBondContact CD2-NE1 3.48Å; H384-W388 AromaticContact CE1-CD1 3.23Å; H384-W388 AromaticContact CE1-NE1 3.28Å; H384-W388 PolarHBondContact CE1-NE1 3.2Å; H384-W388 VanDerWaalsContact CE1-NE1 3.28Å; H384-W388 AromaticContact CG-CD1 3.74Å; H384-W388 AromaticContact ND1-CD1 3.5Å; H384-W388 AromaticContact ND1-NE1 3.95Å; H384-W388 AromaticContact NE2-CD1 3.29Å; H384-W388 VanDerWaalsContact NE2-CD1 3.29Å; H384-W388 AromaticContact NE2-NE1 2.88Å; H384-W388 PolarHBondContact NE2-NE1 2.94Å; H384-W388 PolarHBondContact O-N 2.97Å; D385-W388 PolarHBondContact O-N 2.78Å; W388-T390 VanDerWaalsContact C-N 3.32Å; W388-T390 PolarHBondContact O-N 2.95Å; W388-L391 PolarHBondContact O-N 3.42Å; W388-L391 VanDerWaalsContact O-N 3.09Å; W388-K392 PolarHBondContact O-N 3.48Å; W388-K392 VanDerWaalsContact O-N 3.1Å; W388-R398 HydrophobicContact CE3-CG 4.29Å; W388-R398 HydrophobicContact CZ3-CG 3.72Å; W388-F401 HydrophobicContact CD2-CE1 4.45Å; W388-F401 AromaticContact CE2-CE1 3.96Å; W388-F401 HydrophobicContact CH2-CD1 4.1Å; W388-F401 HydrophobicContact CH2-CE1 4.38Å; W388-F401 HydrophobicContact CZ2-CD1 4.14Å; W388-F401 AromaticContact CZ2-CE1 3.94Å; W388-F401 HydrophobicContact CZ2-CE1 3.94Å; W388-F401 HydrophobicContact CZ3-CD1 4.36Å; W388-S402 WeakPolarHBondContact CH2-OG 3.29Å
389	S	77.4	Confident	81.2	Confident	58 Å²	58	68 Å²	68	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-42.3	176.9	68.2	0	0	0	0	111.1	D385 T386 L391 K392	D385-S389 VanDerWaalsContact O-CB 3.27Å; D385-S389 WeakPolarHBondContact O-CB 3.5Å; D385-S389 PolarHBondContact O-N 3.27Å; D385-S389 PolarHBondContact O-OG 3.07Å; T386-S389 PolarHBondContact O-OG 2.89Å; S389-L391 PolarHBondContact O-N 3.31Å; S389-K392 WeakPolarHBondContact O-CB 3.47Å; S389-K392 PolarHBondContact O-N 2.89Å; S389-K392 VanDerWaalsContact O-N 3.14Å
390	T	79.5	Confident	81.5	Confident	85 Å²	85	71.7 Å²	71.7	52%	0.521	37%	0.365	S	S	.	.	H	α-helix	trans	-61.3	-28.8	175	-54.5	0	0	0	0	112.4	T386 V387 W388	T386-T390 PolarHBondContact O-N 3.08Å; T386-T390 PolarHBondContact O-OG1 3.09Å; V387-T390 PolarHBondContact O-N 3.43Å; W388-T390 VanDerWaalsContact C-N 3.32Å; W388-T390 PolarHBondContact O-N 2.95Å
391	L	80.8	Confident	81.7	Confident	19 Å²	19	71.9 Å²	71.9	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-88.7	-12.9	179.6	-65.3	172	0	0	0	113.9	V387 W388 S389 T393 Q394 K397 R398 F401	V387-L391 HydrophobicContact CG1-CD1 4.16Å; V387-L391 WeakPolarHBondContact O-CG 3.49Å; V387-L391 PolarHBondContact O-N 3.05Å; W388-L391 PolarHBondContact O-N 3.42Å; W388-L391 VanDerWaalsContact O-N 3.09Å; S389-L391 PolarHBondContact O-N 3.31Å; L391-T393 VanDerWaalsContact C-N 3.29Å; L391-T393 PolarHBondContact O-N 2.78Å; L391-Q394 PolarHBondContact O-N 3.19Å; L391-Q394 VanDerWaalsContact O-N 3.07Å; L391-K397 HydrophobicContact CD2-CB 3.83Å; L391-R398 HydrophobicContact CB-CB 4.24Å; L391-R398 HydrophobicContact CB-CG 4.44Å; L391-F401 HydrophobicContact CD1-CB 3.66Å; L391-F401 HydrophobicContact CD1-CD1 3.46Å; L391-F401 VanDerWaalsContact CD1-CD1 3.46Å; L391-F401 HydrophobicContact CD1-CD2 4.09Å; L391-F401 HydrophobicContact CD1-CE1 4.09Å; L391-F401 HydrophobicContact CD1-CG 3.45Å; L391-F401 VanDerWaalsContact CD1-CG 3.45Å
392	K	74.4	Confident	82.2	Confident	107 Å²	107	71.9 Å²	71.9	47%	0.465	37%	0.366	S	S	.	.	H	α-helix	trans	-56.4	-42.2	-176.1	-79.6	-179.5	-179.9	176.2	0	112.4	W388 S389 Q394 M618	W388-K392 PolarHBondContact O-N 3.48Å; W388-K392 VanDerWaalsContact O-N 3.1Å; S389-K392 WeakPolarHBondContact O-CB 3.47Å; S389-K392 PolarHBondContact O-N 2.89Å; S389-K392 VanDerWaalsContact O-N 3.14Å; K392-Q394 VanDerWaalsContact C-N 3.28Å; K392-Q394 PolarHBondContact O-N 3.5Å; K392-M618 VanDerWaalsContact NZ-CE 3.26Å
393	T	76.7	Confident	82.7	Confident	118 Å²	118	68.2 Å²	68.2	72%	0.724	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	2.1	-177.5	57	0	0	0	0	113.7	L391	L391-T393 VanDerWaalsContact C-N 3.29Å; L391-T393 PolarHBondContact O-N 2.78Å
394	Q	83.4	Confident	83.1	Confident	67 Å²	67	68.2 Å²	68.2	31%	0.313	36%	0.36	S	S	.	.			trans	-130.7	75	-170.4	-61.6	179.3	9.1	0	0	110.7	L391 K392 L396 K397 R398	L391-Q394 PolarHBondContact O-N 3.19Å; L391-Q394 VanDerWaalsContact O-N 3.07Å; K392-Q394 VanDerWaalsContact C-N 3.28Å; K392-Q394 PolarHBondContact O-N 3.5Å; Q394-L396 VanDerWaalsContact C-N 3.32Å; Q394-L396 PolarHBondContact O-N 2.96Å; Q394-K397 HydrophobicContact CB-CB 4.02Å; Q394-K397 HydrophobicContact CB-CG 4.2Å; Q394-K397 PolarHBondContact O-N 3.04Å; Q394-R398 PolarHBondContact O-N 3.49Å
395	P	81.7	Confident	83.4	Confident	104 Å²	104	68.1 Å²	68.1	68%	0.675	36%	0.36	S	S	*	.	H	α-helix	trans	-58.2	-39.4	-168.3	21.1	-32.9	0	0	0	113.4	R398 F399	P395-R398 WeakPolarHBondContact O-CB 3.49Å; P395-R398 PolarHBondContact O-N 2.96Å; P395-F399 PolarHBondContact O-N 2.82Å
396	L	82.9	Confident	83.9	Confident	123 Å²	123	71.4 Å²	71.4	64%	0.644	37%	0.366	S	S	*	.	H	α-helix	trans	-64.8	-43.1	176.2	-175.1	63.7	0	0	0	112	Q394 R398 F399 L400	Q394-L396 VanDerWaalsContact C-N 3.32Å; Q394-L396 PolarHBondContact O-N 2.96Å; L396-R398 VanDerWaalsContact C-N 3.35Å; L396-F399 PolarHBondContact O-N 3.09Å; L396-L400 HydrophobicContact CG-CD1 4.41Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.58Å
397	K	84.6	Confident	84.4	Confident	114 Å²	114	71.4 Å²	71.4	50%	0.496	36%	0.36	S	S	.	.	H	α-helix	trans	-68.4	-36.8	177.2	-61.4	-157.7	-155.8	152.4	0	111.5	L391 Q394 L400 F401	L391-K397 HydrophobicContact CD2-CB 3.83Å; Q394-K397 HydrophobicContact CB-CB 4.02Å; Q394-K397 HydrophobicContact CB-CG 4.2Å; Q394-K397 PolarHBondContact O-N 3.04Å; K397-L400 PolarHBondContact O-N 2.63Å; K397-F401 VanDerWaalsContact O-CB 3.28Å; K397-F401 WeakPolarHBondContact O-CB 3.31Å; K397-F401 PolarHBondContact O-N 2.96Å
398	R	85.5	Confident	84.7	Confident	129 Å²	129	70.5 Å²	70.5	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-59.5	-47.8	172.8	-170	-178	175.2	-173.6	-2.2	111	W388 L391 Q394 P395 L396 F401 S402	W388-R398 HydrophobicContact CE3-CG 4.29Å; W388-R398 HydrophobicContact CZ3-CG 3.72Å; L391-R398 HydrophobicContact CB-CB 4.24Å; L391-R398 HydrophobicContact CB-CG 4.44Å; Q394-R398 PolarHBondContact O-N 3.49Å; P395-R398 WeakPolarHBondContact O-CB 3.49Å; P395-R398 PolarHBondContact O-N 2.96Å; L396-R398 VanDerWaalsContact C-N 3.35Å; R398-F401 PolarHBondContact O-N 3.41Å; R398-S402 PolarHBondContact O-N 2.89Å; R398-S402 PolarHBondContact O-OG 3.3Å; R398-S402 VanDerWaalsContact O-OG 3.08Å
399	F	86	Confident	85	Confident	128 Å²	128	69.6 Å²	69.6	56%	0.561	35%	0.353	S	S	*	.	H	α-helix	trans	-59.5	-48.5	176.2	174.6	-97.4	0	0	0	112	P395 L396 F401 S402 A403	P395-F399 PolarHBondContact O-N 2.82Å; L396-F399 PolarHBondContact O-N 3.09Å; F399-F401 VanDerWaalsContact C-N 3.33Å; F399-F401 PolarHBondContact O-N 3.12Å; F399-S402 PolarHBondContact O-N 2.77Å; F399-A403 WeakPolarHBondContact O-CB 3.26Å; F399-A403 PolarHBondContact O-N 3.1Å
400	L	86.9	Confident	85.5	Confident	89 Å²	89	69.9 Å²	69.9	47%	0.466	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-39.5	177.6	-71.4	173.2	0	0	0	112.2	L396 K397 A403 A404	L396-L400 HydrophobicContact CG-CD1 4.41Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 2.58Å; K397-L400 PolarHBondContact O-N 2.63Å; L400-A403 PolarHBondContact O-N 2.62Å; L400-A404 VanDerWaalsContact O-CB 3.31Å; L400-A404 WeakPolarHBondContact O-CB 3.47Å; L400-A404 PolarHBondContact O-N 2.81Å
401	F	88.6	Confident	85.8	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-50.6	175.7	-178	-103.8	0	0	0	111.3	V387 W388 L391 K397 R398 F399 A403 A404 I405 V427 F428 I431 T456 M460	V387-F401 HydrophobicContact CG1-CE1 4.23Å; V387-F401 HydrophobicContact CG1-CE2 3.96Å; V387-F401 HydrophobicContact CG1-CZ 3.7Å; W388-F401 HydrophobicContact CD2-CE1 4.45Å; W388-F401 AromaticContact CE2-CE1 3.96Å; W388-F401 HydrophobicContact CH2-CD1 4.1Å; W388-F401 HydrophobicContact CH2-CE1 4.38Å; W388-F401 HydrophobicContact CZ2-CD1 4.14Å; W388-F401 AromaticContact CZ2-CE1 3.94Å; W388-F401 HydrophobicContact CZ2-CE1 3.94Å; W388-F401 HydrophobicContact CZ3-CD1 4.36Å; L391-F401 HydrophobicContact CD1-CB 3.66Å; L391-F401 HydrophobicContact CD1-CD1 3.46Å; L391-F401 VanDerWaalsContact CD1-CD1 3.46Å; L391-F401 HydrophobicContact CD1-CD2 4.09Å; L391-F401 HydrophobicContact CD1-CE1 4.09Å; L391-F401 HydrophobicContact CD1-CG 3.45Å; L391-F401 VanDerWaalsContact CD1-CG 3.45Å; K397-F401 VanDerWaalsContact O-CB 3.28Å; K397-F401 WeakPolarHBondContact O-CB 3.31Å; K397-F401 PolarHBondContact O-N 2.96Å; R398-F401 PolarHBondContact O-N 3.41Å; F399-F401 VanDerWaalsContact C-N 3.33Å; F399-F401 PolarHBondContact O-N 3.12Å; F401-A403 VanDerWaalsContact C-N 3.28Å; F401-A403 PolarHBondContact O-N 3.49Å; F401-A404 WeakPolarHBondContact O-CB 3.41Å; F401-A404 PolarHBondContact O-N 2.85Å; F401-I405 HydrophobicContact CD1-CG1 4.29Å; F401-I405 HydrophobicContact CE1-CD1 4.32Å; F401-I405 HydrophobicContact CE1-CG1 3.95Å; F401-I405 HydrophobicContact CE2-CD1 4.23Å; F401-I405 HydrophobicContact CE2-CG1 4.37Å; F401-I405 HydrophobicContact CZ-CD1 3.89Å; F401-I405 HydrophobicContact CZ-CG1 4Å; F401-I405 WeakPolarHBondContact O-CG1 3.44Å; F401-I405 PolarHBondContact O-N 2.82Å; F401-V427 HydrophobicContact CD2-CG1 4.01Å; F401-F428 HydrophobicContact CD2-CE1 4.17Å; F401-F428 HydrophobicContact CE2-CD1 4.38Å; F401-F428 AromaticContact CE2-CE1 3.8Å; F401-F428 HydrophobicContact CE2-CE1 3.8Å; F401-I431 HydrophobicContact CD2-CD1 3.87Å; F401-I431 HydrophobicContact CE2-CD1 3.44Å; F401-I431 VanDerWaalsContact CE2-CD1 3.44Å; F401-I431 HydrophobicContact CZ-CD1 4.5Å; F401-T456 HydrophobicContact CE1-CG2 4.28Å; F401-T456 HydrophobicContact CZ-CG2 4.19Å; F401-M460 HydrophobicContact CE2-CB 4.45Å; F401-M460 HydrophobicContact CZ-CB 4.48Å
402	S	88.7	Confident	86.1	Confident	34 Å²	34	65.3 Å²	65.3	24%	0.238	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-37.6	175.8	-58.8	0	0	0	0	112.6	W388 R398 F399 R406	W388-S402 WeakPolarHBondContact CH2-OG 3.29Å; R398-S402 PolarHBondContact O-N 2.89Å; R398-S402 PolarHBondContact O-OG 3.3Å; R398-S402 VanDerWaalsContact O-OG 3.08Å; F399-S402 PolarHBondContact O-N 2.77Å; S402-R406 WeakPolarHBondContact O-CG 3.43Å; S402-R406 PolarHBondContact O-N 2.66Å; S402-R406 VanDerWaalsContact O-N 3.16Å; S402-R406 PolarHBondContact O-NE 2.98Å
403	A	89.1	Confident	86.5	Confident	35 Å²	35	68.8 Å²	68.8	29%	0.289	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-42.2	173.5	0	0	0	0	0	111.7	F399 L400 F401 R406 W407	F399-A403 WeakPolarHBondContact O-CB 3.26Å; F399-A403 PolarHBondContact O-N 3.1Å; L400-A403 PolarHBondContact O-N 2.62Å; F401-A403 VanDerWaalsContact C-N 3.28Å; F401-A403 PolarHBondContact O-N 3.49Å; A403-R406 PolarHBondContact O-N 2.97Å; A403-W407 WeakPolarHBondContact O-CB 3.39Å; A403-W407 PolarHBondContact O-N 2.78Å
404	A	90.9	Very high	86.8	Confident	3 Å²	3	64.4 Å²	64.4	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-40.5	177.9	0	0	0	0	0	112.5	L400 F401 W407 K408 V423 V427 F428	L400-A404 VanDerWaalsContact O-CB 3.31Å; L400-A404 WeakPolarHBondContact O-CB 3.47Å; L400-A404 PolarHBondContact O-N 2.81Å; F401-A404 WeakPolarHBondContact O-CB 3.41Å; F401-A404 PolarHBondContact O-N 2.85Å; A404-W407 PolarHBondContact O-N 3.25Å; A404-K408 PolarHBondContact O-N 3.4Å; A404-V423 HydrophobicContact CB-CB 4.19Å; A404-V423 HydrophobicContact CB-CG1 4.44Å; A404-V427 HydrophobicContact CB-CB 4.16Å; A404-V427 HydrophobicContact CB-CG1 4.15Å; A404-V427 HydrophobicContact CB-CG2 4.06Å; A404-F428 HydrophobicContact CB-CE1 4.31Å; A404-F428 HydrophobicContact CB-CE2 3.85Å; A404-F428 HydrophobicContact CB-CZ 3.57Å
405	I	90.4	Very high	86.6	Confident	12 Å²	12	61.8 Å²	61.8	6%	0.062	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-50.7	174.8	-64.9	-66.8	0	0	0	109.8	F401 W407 K408 L409 F428 T456 A459 M460	F401-I405 HydrophobicContact CD1-CG1 4.29Å; F401-I405 HydrophobicContact CE1-CD1 4.32Å; F401-I405 HydrophobicContact CE1-CG1 3.95Å; F401-I405 HydrophobicContact CE2-CD1 4.23Å; F401-I405 HydrophobicContact CE2-CG1 4.37Å; F401-I405 HydrophobicContact CZ-CD1 3.89Å; F401-I405 HydrophobicContact CZ-CG1 4Å; F401-I405 WeakPolarHBondContact O-CG1 3.44Å; F401-I405 PolarHBondContact O-N 2.82Å; I405-W407 VanDerWaalsContact C-N 3.3Å; I405-W407 PolarHBondContact O-N 2.81Å; I405-K408 WeakPolarHBondContact O-CB 3.31Å; I405-K408 PolarHBondContact O-N 3.45Å; I405-L409 HydrophobicContact CG2-CD1 4.09Å; I405-L409 HydrophobicContact CG2-CG 4.41Å; I405-L409 WeakPolarHBondContact O-CG 3.43Å; I405-L409 PolarHBondContact O-N 3.33Å; I405-F428 HydrophobicContact CD1-CE1 3.65Å; I405-F428 HydrophobicContact CD1-CZ 3.66Å; I405-F428 HydrophobicContact CG1-CE1 4.34Å; I405-F428 HydrophobicContact CG1-CZ 4.19Å; I405-T456 HydrophobicContact CD1-CG2 3.92Å; I405-T456 HydrophobicContact CG1-CG2 4.4Å; I405-A459 HydrophobicContact CD1-CB 3.59Å; I405-A459 HydrophobicContact CG2-CB 4.35Å; I405-M460 HydrophobicContact CD1-CB 4.28Å
406	R	89.7	Confident	86.5	Confident	149 Å²	149	57 Å²	57	56%	0.562	26%	0.261	S	S	*	.	H	α-helix	trans	-58.2	-42	177.5	-74.3	-178.6	-71	-175.5	0.8	112.4	S402 A403 K408 L409 F410	S402-R406 WeakPolarHBondContact O-CG 3.43Å; S402-R406 PolarHBondContact O-N 2.66Å; S402-R406 VanDerWaalsContact O-N 3.16Å; S402-R406 PolarHBondContact O-NE 2.98Å; A403-R406 PolarHBondContact O-N 2.97Å; R406-K408 VanDerWaalsContact C-N 3.32Å; R406-K408 PolarHBondContact O-N 3.19Å; R406-L409 PolarHBondContact O-N 2.83Å; R406-F410 WeakPolarHBondContact O-CB 3.5Å; R406-F410 PolarHBondContact O-N 3Å
407	W	89.6	Confident	86.3	Confident	56 Å²	56	52.3 Å²	52.3	21%	0.212	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-41.6	175.1	-176.1	-87.9	0	0	0	111.9	T44 V45 T48 A403 A404 I405 F410 E411 V423	T44-W407 HydrophobicContact CG2-CH2 4.16Å; T44-W407 HydrophobicContact CG2-CZ2 3.87Å; V45-W407 HydrophobicContact CB-CH2 4.41Å; V45-W407 HydrophobicContact CG2-CH2 3.6Å; V45-W407 HydrophobicContact CG2-CZ3 3.95Å; T48-W407 HydrophobicContact CG2-CZ2 4.3Å; A403-W407 WeakPolarHBondContact O-CB 3.39Å; A403-W407 PolarHBondContact O-N 2.78Å; A404-W407 PolarHBondContact O-N 3.25Å; I405-W407 VanDerWaalsContact C-N 3.3Å; I405-W407 PolarHBondContact O-N 2.81Å; W407-F410 WeakPolarHBondContact O-CB 3.22Å; W407-F410 PolarHBondContact O-N 2.82Å; W407-E411 PolarHBondContact NE1-OE1 2.9Å; W407-E411 PolarHBondContact O-N 3.35Å; W407-V423 HydrophobicContact CB-CG1 4.18Å; W407-V423 HydrophobicContact CG-CG1 3.93Å; W407-V423 HydrophobicContact CG-CG2 4.36Å
408	K	89.9	Confident	86.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-44.9	177.8	-89.3	-64.6	-179.4	-161.7	0	113.7	A404 I405 R406 F410 E411 Y412 R418 V423 D424 F428 A459	A404-K408 PolarHBondContact O-N 3.4Å; I405-K408 WeakPolarHBondContact O-CB 3.31Å; I405-K408 PolarHBondContact O-N 3.45Å; R406-K408 VanDerWaalsContact C-N 3.32Å; R406-K408 PolarHBondContact O-N 3.19Å; K408-F410 PolarHBondContact O-N 2.99Å; K408-E411 IonicContact NZ-OE2 3.71Å; K408-E411 PolarHBondContact NZ-OE2 2.83Å; K408-E411 WeakPolarHBondContact O-CB 3.48Å; K408-E411 PolarHBondContact O-N 3.08Å; K408-E411 VanDerWaalsContact O-N 3.11Å; K408-Y412 HydrophobicContact CB-CE2 4.37Å; K408-Y412 HydrophobicContact CD-CE1 4.29Å; K408-Y412 WeakPolarHBondContact O-CD2 3.22Å; K408-Y412 VanDerWaalsContact O-CG 3.29Å; K408-Y412 PolarHBondContact O-N 2.72Å; K408-R418 PolarHBondContact NZ-O 3.22Å; K408-V423 HydrophobicContact CD-CG2 4.49Å; K408-V423 HydrophobicContact CG-CG2 4.16Å; K408-D424 WeakPolarHBondContact CE-OD1 3.36Å; K408-D424 WeakPolarHBondContact CE-OD2 3.34Å; K408-D424 IonicContact NZ-OD1 3.89Å; K408-D424 PolarHBondContact NZ-OD1 2.98Å; K408-D424 VanDerWaalsContact NZ-OD1 3.11Å; K408-D424 IonicContact NZ-OD2 3.1Å; K408-D424 PolarHBondContact NZ-OD2 3.46Å; K408-F428 HydrophobicContact CB-CE2 4.4Å; K408-F428 HydrophobicContact CG-CD2 4.14Å; K408-F428 HydrophobicContact CG-CE2 3.48Å; K408-F428 VanDerWaalsContact CG-CE2 3.48Å; K408-F428 HydrophobicContact CG-CZ 4.33Å; K408-A459 HydrophobicContact CB-CB 3.61Å; K408-A459 HydrophobicContact CG-CB 4.21Å
409	L	88	Confident	86.3	Confident	27 Å²	27	45.2 Å²	45.2	14%	0.141	21%	0.21	C	C	.	.	H	α-helix	trans	-62.1	-34.5	175.3	-61.5	178	0	0	0	111.1	I405 R406 Y412 R413 N455	I405-L409 HydrophobicContact CG2-CD1 4.09Å; I405-L409 HydrophobicContact CG2-CG 4.41Å; I405-L409 WeakPolarHBondContact O-CG 3.43Å; I405-L409 PolarHBondContact O-N 3.33Å; R406-L409 PolarHBondContact O-N 2.83Å; L409-Y412 HydrophobicContact CD2-CD2 4.12Å; L409-Y412 HydrophobicContact CD2-CE2 4.48Å; L409-Y412 PolarHBondContact O-N 3.03Å; L409-R413 VanDerWaalsContact O-CG 3.3Å; L409-R413 WeakPolarHBondContact O-CG 3.39Å; L409-R413 PolarHBondContact O-N 2.73Å; L409-N455 HydrophobicContact CD1-CB 4.08Å; L409-N455 HydrophobicContact CD2-CB 3.87Å
410	F	87.3	Confident	86.2	Confident	64 Å²	64	42.5 Å²	42.5	28%	0.281	20%	0.201	S	C	.	.	H	α-helix	trans	-64.4	-45.6	171.3	177.1	-106	0	0	0	112.6	T9 R406 W407 K408 Y412 R413 L414	T9-F410 HydrophobicContact CG2-CE2 4.47Å; R406-F410 WeakPolarHBondContact O-CB 3.5Å; R406-F410 PolarHBondContact O-N 3Å; W407-F410 WeakPolarHBondContact O-CB 3.22Å; W407-F410 PolarHBondContact O-N 2.82Å; K408-F410 PolarHBondContact O-N 2.99Å; F410-Y412 VanDerWaalsContact C-N 3.29Å; F410-Y412 PolarHBondContact O-N 3.48Å; F410-R413 PolarHBondContact O-N 3.05Å; F410-L414 HydrophobicContact CD1-CD1 4.14Å; F410-L414 HydrophobicContact CE1-CD1 3.5Å; F410-L414 VanDerWaalsContact CE1-CD1 3.5Å; F410-L414 HydrophobicContact CE1-CG 4.33Å; F410-L414 HydrophobicContact CE2-CD1 4.25Å; F410-L414 HydrophobicContact CE2-CD2 4.48Å; F410-L414 HydrophobicContact CE2-CG 4.33Å; F410-L414 HydrophobicContact CZ-CD1 3.57Å; F410-L414 HydrophobicContact CZ-CD2 4.41Å; F410-L414 HydrophobicContact CZ-CG 4.14Å; F410-L414 WeakPolarHBondContact O-CG 3.41Å; F410-L414 PolarHBondContact O-N 3.06Å; F410-L414 VanDerWaalsContact O-N 3.12Å
411	E	87.5	Confident	86.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.3	-45.9	173.3	-73.4	-172.8	164.4	0	0	111.3	T48 W407 K408 R413 L414 G415 I416 R418	T48-E411 HydrophobicContact CG2-CG 3.95Å; W407-E411 PolarHBondContact NE1-OE1 2.9Å; W407-E411 PolarHBondContact O-N 3.35Å; K408-E411 IonicContact NZ-OE2 3.71Å; K408-E411 PolarHBondContact NZ-OE2 2.83Å; K408-E411 WeakPolarHBondContact O-CB 3.48Å; K408-E411 PolarHBondContact O-N 3.08Å; K408-E411 VanDerWaalsContact O-N 3.11Å; E411-R413 PolarHBondContact O-N 3.35Å; E411-L414 WeakPolarHBondContact O-CB 3.28Å; E411-L414 PolarHBondContact O-N 3.42Å; E411-L414 VanDerWaalsContact O-N 3.12Å; E411-G415 PolarHBondContact O-N 2.89Å; E411-I416 CarbonylContact C-O 3.6Å; E411-I416 HydrophobicContact CB-CB 4.18Å; E411-I416 WeakPolarHBondContact O-CA 3.47Å; E411-I416 WeakPolarHBondContact O-CB 2.92Å; E411-I416 PolarHBondContact O-N 3.25Å; E411-R418 IonicContact OE1-CZ 2.69Å; E411-R418 VanDerWaalsContact OE1-CZ 3.22Å; E411-R418 IonicContact OE1-NE 3.68Å; E411-R418 PolarHBondContact OE1-NE 3.33Å; E411-R418 IonicContact OE1-NH2 3.49Å; E411-R418 PolarHBondContact OE1-NH2 3.5Å; E411-R418 IonicContact OE2-NE 3.88Å; E411-R418 PolarHBondContact OE2-NE 3.32Å
412	Y	86.2	Confident	85.9	Confident	8 Å²	8	41 Å²	41	3%	0.031	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-40.8	179.1	-56.6	-29.9	0	0	0	112.5	K408 L409 F410 L414 G415 I416 W417 K458 A459 L486	K408-Y412 HydrophobicContact CB-CE2 4.37Å; K408-Y412 HydrophobicContact CD-CE1 4.29Å; K408-Y412 WeakPolarHBondContact O-CD2 3.22Å; K408-Y412 VanDerWaalsContact O-CG 3.29Å; K408-Y412 PolarHBondContact O-N 2.72Å; L409-Y412 HydrophobicContact CD2-CD2 4.12Å; L409-Y412 HydrophobicContact CD2-CE2 4.48Å; L409-Y412 PolarHBondContact O-N 3.03Å; F410-Y412 VanDerWaalsContact C-N 3.29Å; F410-Y412 PolarHBondContact O-N 3.48Å; Y412-L414 PolarHBondContact O-N 3.45Å; Y412-G415 WeakPolarHBondContact O-CA 3.38Å; Y412-G415 PolarHBondContact O-N 3.2Å; Y412-I416 WeakPolarHBondContact CD1-O 3.11Å; Y412-W417 AromaticContact CD1-CD2 3.85Å; Y412-W417 HydrophobicContact CD1-CD2 3.85Å; Y412-W417 AromaticContact CD1-CE3 3.68Å; Y412-W417 HydrophobicContact CD1-CE3 3.68Å; Y412-W417 HydrophobicContact CD1-CG 4.47Å; Y412-W417 HydrophobicContact CD1-CH2 4.23Å; Y412-W417 HydrophobicContact CD1-CZ2 4.35Å; Y412-W417 AromaticContact CD1-CZ3 3.9Å; Y412-W417 HydrophobicContact CD1-CZ3 3.9Å; Y412-W417 HydrophobicContact CD2-CH2 4.26Å; Y412-W417 HydrophobicContact CD2-CZ3 4.24Å; Y412-W417 HydrophobicContact CE1-CD2 4.27Å; Y412-W417 AromaticContact CE1-CE3 3.72Å; Y412-W417 HydrophobicContact CE1-CE3 3.72Å; Y412-W417 HydrophobicContact CE1-CZ3 4.02Å; Y412-W417 HydrophobicContact CE2-CZ3 4.36Å; Y412-W417 HydrophobicContact CG-CD2 4.49Å; Y412-W417 HydrophobicContact CG-CE3 4.26Å; Y412-W417 AromaticContact CG-CH2 3.98Å; Y412-W417 HydrophobicContact CG-CH2 3.98Å; Y412-W417 HydrophobicContact CG-CZ2 4.16Å; Y412-W417 HydrophobicContact CG-CZ3 4.03Å; Y412-K458 HydrophobicContact CE2-CB 4.39Å; Y412-K458 PolarHBondContact OH-O 3.34Å; Y412-A459 HydrophobicContact CE2-CB 4.49Å; Y412-L486 HydrophobicContact CD2-CD2 4.15Å; Y412-L486 HydrophobicContact CG-CD2 4.35Å
413	R	83.9	Confident	85.9	Confident	180 Å²	180	40.6 Å²	40.6	68%	0.679	19%	0.19	S	C	*	.	H	α-helix	trans	-61.4	-27.1	174.5	-73.6	173.9	-174.3	169.4	1.2	112.8	L409 F410 E411 G415 L486	L409-R413 VanDerWaalsContact O-CG 3.3Å; L409-R413 WeakPolarHBondContact O-CG 3.39Å; L409-R413 PolarHBondContact O-N 2.73Å; F410-R413 PolarHBondContact O-N 3.05Å; E411-R413 PolarHBondContact O-N 3.35Å; R413-G415 VanDerWaalsContact C-N 3.27Å; R413-L486 HydrophobicContact CB-CD1 4.31Å; R413-L486 HydrophobicContact CG-CD1 3.65Å
414	L	82.1	Confident	85.8	Confident	27 Å²	27	39 Å²	39	14%	0.141	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.5	172.4	-64.4	-178.8	0	0	0	113.5	R52 F410 E411 Y412 I416	R52-L414 PolarHBondContact NE-O 3.09Å; F410-L414 HydrophobicContact CD1-CD1 4.14Å; F410-L414 HydrophobicContact CE1-CD1 3.5Å; F410-L414 VanDerWaalsContact CE1-CD1 3.5Å; F410-L414 HydrophobicContact CE1-CG 4.33Å; F410-L414 HydrophobicContact CE2-CD1 4.25Å; F410-L414 HydrophobicContact CE2-CD2 4.48Å; F410-L414 HydrophobicContact CE2-CG 4.33Å; F410-L414 HydrophobicContact CZ-CD1 3.57Å; F410-L414 HydrophobicContact CZ-CD2 4.41Å; F410-L414 HydrophobicContact CZ-CG 4.14Å; F410-L414 WeakPolarHBondContact O-CG 3.41Å; F410-L414 PolarHBondContact O-N 3.06Å; F410-L414 VanDerWaalsContact O-N 3.12Å; E411-L414 WeakPolarHBondContact O-CB 3.28Å; E411-L414 PolarHBondContact O-N 3.42Å; E411-L414 VanDerWaalsContact O-N 3.12Å; Y412-L414 PolarHBondContact O-N 3.45Å; L414-I416 HydrophobicContact CB-CD1 4.06Å; L414-I416 HydrophobicContact CB-CG1 4.12Å; L414-I416 HydrophobicContact CD1-CD1 4.29Å
415	G	79	Confident	85.6	Confident	12 Å²	12	46.8 Å²	46.8	12%	0.124	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	19.9	-174.2	0	0	0	0	0	113.6	E411 Y412 R413	E411-G415 PolarHBondContact O-N 2.89Å; Y412-G415 WeakPolarHBondContact O-CA 3.38Å; Y412-G415 PolarHBondContact O-N 3.2Å; R413-G415 VanDerWaalsContact C-N 3.27Å
416	I	80.4	Confident	85.4	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	23%	0.234	C	C	.	.			trans	-97.8	100.1	-178.8	-56	172.7	0	0	0	109.1	T48 R52 E411 Y412 L414 R418	T48-I416 HydrophobicContact CG2-CD1 3.76Å; T48-I416 WeakPolarHBondContact O-CD1 3.38Å; R52-I416 HydrophobicContact CB-CD1 4.18Å; R52-I416 HydrophobicContact CB-CG1 4.34Å; R52-I416 HydrophobicContact CG-CD1 4.5Å; R52-I416 HydrophobicContact CG-CG1 4.27Å; E411-I416 CarbonylContact C-O 3.6Å; E411-I416 HydrophobicContact CB-CB 4.18Å; E411-I416 WeakPolarHBondContact O-CA 3.47Å; E411-I416 WeakPolarHBondContact O-CB 2.92Å; E411-I416 PolarHBondContact O-N 3.25Å; Y412-I416 WeakPolarHBondContact CD1-O 3.11Å; L414-I416 HydrophobicContact CB-CD1 4.06Å; L414-I416 HydrophobicContact CB-CG1 4.12Å; L414-I416 HydrophobicContact CD1-CD1 4.29Å; I416-R418 HydrophobicContact CG2-CG 4.06Å
417	W	78.9	Confident	85.3	Confident	24 Å²	24	46.9 Å²	46.9	9%	0.091	22%	0.218	C	C	.	.			trans	-101.8	98	178	-65.3	88.3	0	0	0	110	K60 Y412 V483 D484 L486	K60-W417 HydrophobicContact CB-CB 3.83Å; K60-W417 HydrophobicContact CB-CG 4.12Å; K60-W417 HydrophobicContact CD-CB 4.43Å; Y412-W417 AromaticContact CD1-CD2 3.85Å; Y412-W417 HydrophobicContact CD1-CD2 3.85Å; Y412-W417 AromaticContact CD1-CE3 3.68Å; Y412-W417 HydrophobicContact CD1-CE3 3.68Å; Y412-W417 HydrophobicContact CD1-CG 4.47Å; Y412-W417 HydrophobicContact CD1-CH2 4.23Å; Y412-W417 HydrophobicContact CD1-CZ2 4.35Å; Y412-W417 AromaticContact CD1-CZ3 3.9Å; Y412-W417 HydrophobicContact CD1-CZ3 3.9Å; Y412-W417 HydrophobicContact CD2-CH2 4.26Å; Y412-W417 HydrophobicContact CD2-CZ3 4.24Å; Y412-W417 HydrophobicContact CE1-CD2 4.27Å; Y412-W417 AromaticContact CE1-CE3 3.72Å; Y412-W417 HydrophobicContact CE1-CE3 3.72Å; Y412-W417 HydrophobicContact CE1-CZ3 4.02Å; Y412-W417 HydrophobicContact CE2-CZ3 4.36Å; Y412-W417 HydrophobicContact CG-CD2 4.49Å; Y412-W417 HydrophobicContact CG-CE3 4.26Å; Y412-W417 AromaticContact CG-CH2 3.98Å; Y412-W417 HydrophobicContact CG-CH2 3.98Å; Y412-W417 HydrophobicContact CG-CZ2 4.16Å; Y412-W417 HydrophobicContact CG-CZ3 4.03Å; W417-V483 WeakPolarHBondContact CH2-O 3.26Å; W417-D484 HydrophobicContact CZ2-CB 3.71Å; W417-L486 HydrophobicContact CH2-CD2 3.93Å; W417-L486 HydrophobicContact CZ2-CD2 4.16Å
418	R	82.8	Confident	85.4	Confident	26 Å²	26	44.2 Å²	44.2	10%	0.098	21%	0.208	C	C	.	.			trans	-144.9	156.5	-177.7	73.4	-175.7	179.9	176.3	8.8	112.3	T48 S51 K57 K408 E411 I416 D420	T48-R418 PolarHBondContact OG1-NH2 2.85Å; S51-R418 PolarHBondContact OG-NH1 2.73Å; K57-R418 HydrophobicContact CD-CB 4.5Å; K408-R418 PolarHBondContact NZ-O 3.22Å; E411-R418 IonicContact OE1-CZ 2.69Å; E411-R418 VanDerWaalsContact OE1-CZ 3.22Å; E411-R418 IonicContact OE1-NE 3.68Å; E411-R418 PolarHBondContact OE1-NE 3.33Å; E411-R418 IonicContact OE1-NH2 3.49Å; E411-R418 PolarHBondContact OE1-NH2 3.5Å; E411-R418 IonicContact OE2-NE 3.88Å; E411-R418 PolarHBondContact OE2-NE 3.32Å; I416-R418 HydrophobicContact CG2-CG 4.06Å; R418-D420 WeakPolarHBondContact CB-OD1 3.4Å; R418-D420 WeakPolarHBondContact CD-OD1 3.08Å
419	N	85.8	Confident	85.4	Confident	68 Å²	68	50.4 Å²	50.4	36%	0.364	24%	0.235	S	C	.	.	S	Bend	trans	-122.4	13.7	175.5	-71.1	-15	0	0	0	112.9	D424 R432 G462	N419-D424 WeakPolarHBondContact CA-OD1 3.47Å; N419-D424 WeakPolarHBondContact O-CB 3.49Å; N419-R432 PolarHBondContact O-NH1 3.35Å; N419-G462 PolarHBondContact ND2-O 3.19Å; N419-G462 WeakPolarHBondContact OD1-CA 3.46Å; N419-G462 PolarHBondContact OD1-O 2.85Å
420	D	85.3	Confident	85.3	Confident	70 Å²	70	58.7 Å²	58.7	37%	0.374	26%	0.264	S	S	.	.			trans	-116.5	7.2	-171.9	73	-28.6	0	0	0	114	K57 R418 D424 R425	K57-D420 IonicContact NZ-OD1 2.81Å; K57-D420 PolarHBondContact NZ-OD1 3.24Å; K57-D420 IonicContact NZ-OD2 2.73Å; K57-D420 PolarHBondContact NZ-OD2 2.83Å; R418-D420 WeakPolarHBondContact CB-OD1 3.4Å; R418-D420 WeakPolarHBondContact CD-OD1 3.08Å; D420-D424 PolarHBondContact N-OD2 3.29Å; D420-R425 PolarHBondContact O-NE 3.05Å; D420-R425 PolarHBondContact O-NH2 3.47Å
421	G	84.8	Confident	85.3	Confident	6 Å²	6	57 Å²	57	6%	0.062	26%	0.258	C	S	.	.	S	Bend	trans	-73.8	177.7	-179.7	0	0	0	0	0	113.6	D424 R425	G421-D424 VanDerWaalsContact CA-OD2 3.32Å; G421-D424 WeakPolarHBondContact CA-OD2 3.44Å; G421-D424 PolarHBondContact N-OD2 3.42Å; G421-D424 WeakPolarHBondContact O-CB 3.11Å; G421-D424 PolarHBondContact O-N 3.25Å; G421-R425 WeakPolarHBondContact O-CG 3.18Å; G421-R425 PolarHBondContact O-N 2.69Å; G421-R425 VanDerWaalsContact O-N 3.07Å
422	I	83.9	Confident	85.5	Confident	57 Å²	57	58.2 Å²	58.2	29%	0.292	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-49.4	-176.8	-61	-175.2	0	0	0	110.7	F40 T44 D424 R425 L426	F40-I422 HydrophobicContact CZ-CD1 4.17Å; T44-I422 HydrophobicContact CG2-CD1 3.74Å; T44-I422 HydrophobicContact CG2-CG1 4.49Å; I422-D424 PolarHBondContact O-N 3.26Å; I422-R425 PolarHBondContact O-N 3.04Å; I422-R425 VanDerWaalsContact O-N 3.16Å; I422-L426 HydrophobicContact CG2-CD1 3.65Å; I422-L426 HydrophobicContact CG2-CG 4.31Å; I422-L426 WeakPolarHBondContact O-CG 3.48Å; I422-L426 PolarHBondContact O-N 2.93Å
423	V	87.4	Confident	85.7	Confident	24 Å²	24	62 Å²	62	15%	0.145	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-31.8	177.6	-60	0	0	0	0	112.5	A404 W407 K408 V427 F428	A404-V423 HydrophobicContact CB-CB 4.19Å; A404-V423 HydrophobicContact CB-CG1 4.44Å; W407-V423 HydrophobicContact CB-CG1 4.18Å; W407-V423 HydrophobicContact CG-CG1 3.93Å; W407-V423 HydrophobicContact CG-CG2 4.36Å; K408-V423 HydrophobicContact CD-CG2 4.49Å; K408-V423 HydrophobicContact CG-CG2 4.16Å; V423-V427 WeakPolarHBondContact O-CB 3.27Å; V423-V427 PolarHBondContact O-N 3.31Å; V423-F428 HydrophobicContact CB-CE2 4.5Å; V423-F428 HydrophobicContact CG2-CD2 4.47Å; V423-F428 HydrophobicContact CG2-CE2 4.22Å; V423-F428 PolarHBondContact O-N 3.11Å
424	D	88.2	Confident	85.9	Confident	1 Å²	1	58 Å²	58	1%	0.005	27%	0.269	C	S	.	.	I	π-helix	trans	-64.4	-46.2	175	-62.6	-74.8	0	0	0	111.4	K408 N419 D420 G421 I422 F428 K429 R432	K408-D424 WeakPolarHBondContact CE-OD1 3.36Å; K408-D424 WeakPolarHBondContact CE-OD2 3.34Å; K408-D424 IonicContact NZ-OD1 3.89Å; K408-D424 PolarHBondContact NZ-OD1 2.98Å; K408-D424 VanDerWaalsContact NZ-OD1 3.11Å; K408-D424 IonicContact NZ-OD2 3.1Å; K408-D424 PolarHBondContact NZ-OD2 3.46Å; N419-D424 WeakPolarHBondContact CA-OD1 3.47Å; N419-D424 WeakPolarHBondContact O-CB 3.49Å; D420-D424 PolarHBondContact N-OD2 3.29Å; G421-D424 VanDerWaalsContact CA-OD2 3.32Å; G421-D424 WeakPolarHBondContact CA-OD2 3.44Å; G421-D424 PolarHBondContact N-OD2 3.42Å; G421-D424 WeakPolarHBondContact O-CB 3.11Å; G421-D424 PolarHBondContact O-N 3.25Å; I422-D424 PolarHBondContact O-N 3.26Å; D424-F428 CarbonylContact O-C 3.53Å; D424-F428 PolarHBondContact O-N 3.11Å; D424-K429 WeakPolarHBondContact O-CA 3.35Å; D424-K429 VanDerWaalsContact O-CB 3.3Å; D424-K429 WeakPolarHBondContact O-CB 3.46Å; D424-K429 PolarHBondContact O-N 3.37Å; D424-R432 IonicContact OD1-CZ 3.06Å; D424-R432 VanDerWaalsContact OD1-CZ 3.24Å; D424-R432 IonicContact OD1-NH1 3.39Å; D424-R432 PolarHBondContact OD1-NH1 3.37Å; D424-R432 IonicContact OD1-NH2 3.11Å; D424-R432 PolarHBondContact OD1-NH2 3.21Å
425	R	87.3	Confident	86.3	Confident	168 Å²	168	57.1 Å²	57.1	63%	0.634	27%	0.265	S	S	*	.	I	π-helix	trans	-69.9	-39.7	-176.9	-67.3	175.8	-164.8	-163.8	-2.2	112	D420 G421 I422	D420-R425 PolarHBondContact O-NE 3.05Å; D420-R425 PolarHBondContact O-NH2 3.47Å; G421-R425 WeakPolarHBondContact O-CG 3.18Å; G421-R425 PolarHBondContact O-N 2.69Å; G421-R425 VanDerWaalsContact O-N 3.07Å; I422-R425 PolarHBondContact O-N 3.04Å; I422-R425 VanDerWaalsContact O-N 3.16Å
426	L	85.2	Confident	86.8	Confident	124 Å²	124	56.7 Å²	56.7	65%	0.649	26%	0.26	S	S	*	.	I	π-helix	trans	-82.8	-40.5	-174.1	-64.3	178.7	0	0	0	113.1	I422	I422-L426 HydrophobicContact CG2-CD1 3.65Å; I422-L426 HydrophobicContact CG2-CG 4.31Å; I422-L426 WeakPolarHBondContact O-CG 3.48Å; I422-L426 PolarHBondContact O-N 2.93Å
427	V	88.8	Confident	87.3	Confident	38 Å²	38	58.2 Å²	58.2	23%	0.23	28%	0.277	C	S	.	.	I	π-helix	trans	-110.1	-63.2	-172.8	-176	0	0	0	0	110.8	F401 A404 V423 K429	F401-V427 HydrophobicContact CD2-CG1 4.01Å; A404-V427 HydrophobicContact CB-CB 4.16Å; A404-V427 HydrophobicContact CB-CG1 4.15Å; A404-V427 HydrophobicContact CB-CG2 4.06Å; V423-V427 WeakPolarHBondContact O-CB 3.27Å; V423-V427 PolarHBondContact O-N 3.31Å; V427-K429 PolarHBondContact O-N 2.67Å
428	F	90.1	Very high	87.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.288	C	S	.	.	I	π-helix	trans	-75.2	-22.4	-166.6	-59.2	-52.2	0	0	0	114.6	F401 A404 I405 K408 V423 D424 R430 I431 R432 M460	F401-F428 HydrophobicContact CD2-CE1 4.17Å; F401-F428 HydrophobicContact CE2-CD1 4.38Å; F401-F428 AromaticContact CE2-CE1 3.8Å; F401-F428 HydrophobicContact CE2-CE1 3.8Å; A404-F428 HydrophobicContact CB-CE1 4.31Å; A404-F428 HydrophobicContact CB-CE2 3.85Å; A404-F428 HydrophobicContact CB-CZ 3.57Å; I405-F428 HydrophobicContact CD1-CE1 3.65Å; I405-F428 HydrophobicContact CD1-CZ 3.66Å; I405-F428 HydrophobicContact CG1-CE1 4.34Å; I405-F428 HydrophobicContact CG1-CZ 4.19Å; K408-F428 HydrophobicContact CB-CE2 4.4Å; K408-F428 HydrophobicContact CG-CD2 4.14Å; K408-F428 HydrophobicContact CG-CE2 3.48Å; K408-F428 VanDerWaalsContact CG-CE2 3.48Å; K408-F428 HydrophobicContact CG-CZ 4.33Å; V423-F428 HydrophobicContact CB-CE2 4.5Å; V423-F428 HydrophobicContact CG2-CD2 4.47Å; V423-F428 HydrophobicContact CG2-CE2 4.22Å; V423-F428 PolarHBondContact O-N 3.11Å; D424-F428 CarbonylContact O-C 3.53Å; D424-F428 PolarHBondContact O-N 3.11Å; F428-R430 VanDerWaalsContact C-N 3.27Å; F428-R430 PolarHBondContact O-N 3.49Å; F428-I431 HydrophobicContact CD1-CD1 4.31Å; F428-I431 PolarHBondContact O-N 2.84Å; F428-R432 WeakPolarHBondContact O-CB 3.35Å; F428-R432 VanDerWaalsContact O-CG 3.25Å; F428-R432 WeakPolarHBondContact O-CG 3.35Å; F428-R432 PolarHBondContact O-N 2.75Å; F428-M460 HydrophobicContact CD1-CB 3.95Å; F428-M460 HydrophobicContact CE1-CB 4Å
429	K	89.8	Confident	88.2	Confident	130 Å²	130	60.7 Å²	60.7	57%	0.565	29%	0.287	S	S	*	.	H	α-helix	trans	-56	-44.5	179.6	-175.6	179.4	179.4	-174.8	0	110.8	D424 V427 Q433	D424-K429 WeakPolarHBondContact O-CA 3.35Å; D424-K429 VanDerWaalsContact O-CB 3.3Å; D424-K429 WeakPolarHBondContact O-CB 3.46Å; D424-K429 PolarHBondContact O-N 3.37Å; V427-K429 PolarHBondContact O-N 2.67Å; K429-Q433 WeakPolarHBondContact O-CG 3.49Å; K429-Q433 PolarHBondContact O-N 2.69Å
430	R	87.4	Confident	88.4	Confident	201 Å²	201	58.4 Å²	58.4	76%	0.758	28%	0.277	S	S	*	.	H	α-helix	trans	-65.1	-48	179.3	-67.5	-178.2	-178.8	178.8	0.2	111.3	F428 R432 Q433	F428-R430 VanDerWaalsContact C-N 3.27Å; F428-R430 PolarHBondContact O-N 3.49Å; R430-R432 PolarHBondContact O-N 2.84Å; R430-Q433 PolarHBondContact O-N 2.98Å
431	I	87.6	Confident	88.6	Confident	30 Å²	30	55.2 Å²	55.2	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-59.3	-46.3	178.4	-61.8	174.9	0	0	0	110.7	V387 F401 F428 Q433 E434 F435 M460	V387-I431 HydrophobicContact CG1-CD1 4.21Å; V387-I431 HydrophobicContact CG2-CG2 4.36Å; F401-I431 HydrophobicContact CD2-CD1 3.87Å; F401-I431 HydrophobicContact CE2-CD1 3.44Å; F401-I431 VanDerWaalsContact CE2-CD1 3.44Å; F401-I431 HydrophobicContact CZ-CD1 4.5Å; F428-I431 HydrophobicContact CD1-CD1 4.31Å; F428-I431 PolarHBondContact O-N 2.84Å; I431-Q433 VanDerWaalsContact C-N 3.28Å; I431-Q433 PolarHBondContact O-N 2.7Å; I431-E434 WeakPolarHBondContact O-CB 3.4Å; I431-E434 PolarHBondContact O-N 3.12Å; I431-E434 VanDerWaalsContact O-N 3.11Å; I431-F435 HydrophobicContact CG2-CD2 4.48Å; I431-F435 HydrophobicContact CG2-CE2 3.97Å; I431-F435 WeakPolarHBondContact O-CD2 3.02Å; I431-M460 HydrophobicContact CG2-CB 4.42Å; I431-M460 HydrophobicContact CG2-CG 4.21Å; I431-M460 HydrophobicContact CG2-SD 4.07Å
432	R	91.4	Very high	88.9	Confident	24 Å²	24	54.9 Å²	54.9	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-33	179.4	-69.9	173.2	-167.5	159.4	1.3	112.9	N419 D424 F428 R430 E434 F435 G436 G437 A459 M460 L461	N419-R432 PolarHBondContact O-NH1 3.35Å; D424-R432 IonicContact OD1-CZ 3.06Å; D424-R432 VanDerWaalsContact OD1-CZ 3.24Å; D424-R432 IonicContact OD1-NH1 3.39Å; D424-R432 PolarHBondContact OD1-NH1 3.37Å; D424-R432 IonicContact OD1-NH2 3.11Å; D424-R432 PolarHBondContact OD1-NH2 3.21Å; F428-R432 WeakPolarHBondContact O-CB 3.35Å; F428-R432 VanDerWaalsContact O-CG 3.25Å; F428-R432 WeakPolarHBondContact O-CG 3.35Å; F428-R432 PolarHBondContact O-N 2.75Å; R430-R432 PolarHBondContact O-N 2.84Å; R432-E434 VanDerWaalsContact C-N 3.26Å; R432-E434 PolarHBondContact O-N 3.03Å; R432-F435 CarbonylContact O-C 3.56Å; R432-F435 PolarHBondContact O-N 2.89Å; R432-F435 VanDerWaalsContact O-N 3.08Å; R432-G436 PolarHBondContact O-N 2.8Å; R432-G437 VanDerWaalsContact O-CA 3.25Å; R432-G437 WeakPolarHBondContact O-CA 3.49Å; R432-G437 PolarHBondContact O-N 2.84Å; R432-A459 PolarHBondContact NH2-O 2.73Å; R432-M460 VanDerWaalsContact CG-O 3.23Å; R432-M460 WeakPolarHBondContact CG-O 3.48Å; R432-M460 PolarHBondContact NE-O 3.37Å; R432-L461 WeakPolarHBondContact CD-O 3.3Å; R432-L461 PolarHBondContact NE-O 2.69Å
433	Q	90.8	Very high	89.2	Confident	89 Å²	89	53.8 Å²	53.8	42%	0.416	25%	0.252	S	S	.	.	H	α-helix	trans	-66.9	-27.1	177.1	-70	-56.9	-30	0	0	112.8	K429 R430 I431 F435 G436	K429-Q433 WeakPolarHBondContact O-CG 3.49Å; K429-Q433 PolarHBondContact O-N 2.69Å; R430-Q433 PolarHBondContact O-N 2.98Å; I431-Q433 VanDerWaalsContact C-N 3.28Å; I431-Q433 PolarHBondContact O-N 2.7Å; Q433-F435 PolarHBondContact O-N 3.47Å; Q433-G436 PolarHBondContact O-N 2.87Å
434	E	88	Confident	89.2	Confident	94 Å²	94	52.7 Å²	52.7	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-67.1	-23.4	172	-60.9	-53.4	130.2	0	0	112.2	K366 I431 R432	K366-E434 VanDerWaalsContact NZ-CD 3.26Å; K366-E434 IonicContact NZ-OE1 3.88Å; K366-E434 PolarHBondContact NZ-OE1 2.8Å; K366-E434 IonicContact NZ-OE2 2.61Å; K366-E434 PolarHBondContact NZ-OE2 2.85Å; I431-E434 WeakPolarHBondContact O-CB 3.4Å; I431-E434 PolarHBondContact O-N 3.12Å; I431-E434 VanDerWaalsContact O-N 3.11Å; R432-E434 VanDerWaalsContact C-N 3.26Å; R432-E434 PolarHBondContact O-N 3.03Å
435	F	89.4	Confident	88.9	Confident	10 Å²	10	53 Å²	53	4%	0.044	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	20.2	171.6	-53.5	-78.4	0	0	0	112.4	M362 M365 I383 I431 R432 Q433 G437 M439 L461	M362-F435 HydrophobicContact CG-CE1 4.35Å; M365-F435 HydrophobicContact CE-CD1 3.63Å; M365-F435 HydrophobicContact CE-CE1 4.01Å; M365-F435 HydrophobicContact SD-CD1 4.24Å; I383-F435 HydrophobicContact CB-CZ 4.45Å; I383-F435 HydrophobicContact CD1-CE1 4Å; I383-F435 HydrophobicContact CG1-CE1 3.85Å; I383-F435 HydrophobicContact CG1-CZ 4.27Å; I383-F435 HydrophobicContact CG2-CE1 3.96Å; I383-F435 HydrophobicContact CG2-CE2 4.32Å; I383-F435 HydrophobicContact CG2-CZ 3.57Å; I431-F435 HydrophobicContact CG2-CD2 4.48Å; I431-F435 HydrophobicContact CG2-CE2 3.97Å; I431-F435 WeakPolarHBondContact O-CD2 3.02Å; R432-F435 CarbonylContact O-C 3.56Å; R432-F435 PolarHBondContact O-N 2.89Å; R432-F435 VanDerWaalsContact O-N 3.08Å; Q433-F435 PolarHBondContact O-N 3.47Å; F435-G437 VanDerWaalsContact C-N 3.27Å; F435-G437 PolarHBondContact O-N 2.85Å; F435-M439 HydrophobicContact CB-CE 3.6Å; F435-M439 HydrophobicContact CB-SD 4.24Å; F435-M439 HydrophobicContact CD1-CE 4.48Å; F435-M439 HydrophobicContact CG-CE 3.99Å; F435-L461 HydrophobicContact CD2-CD2 3.51Å; F435-L461 HydrophobicContact CE2-CD2 3.78Å; F435-L461 HydrophobicContact CG-CD2 3.96Å; F435-L461 HydrophobicContact CZ-CD2 4.43Å
436	G	90.4	Very high	87.8	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.021	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	0.5	177.4	0	0	0	0	0	116.2	K369 R432 Q433 R438	K369-G436 WeakPolarHBondContact CB-O 3.26Å; K369-G436 WeakPolarHBondContact CG-O 3.26Å; R432-G436 PolarHBondContact O-N 2.8Å; Q433-G436 PolarHBondContact O-N 2.87Å; G436-R438 VanDerWaalsContact C-N 3.27Å; G436-R438 PolarHBondContact O-N 2.85Å; G436-R438 VanDerWaalsContact O-N 3.17Å
437	G	89.8	Confident	86.8	Confident	37 Å²	37	42 Å²	42	38%	0.381	21%	0.209	S	C	.	.	S	Bend	trans	75.6	0.9	165	0	0	0	0	0	116.8	R432 F435	R432-G437 VanDerWaalsContact O-CA 3.25Å; R432-G437 WeakPolarHBondContact O-CA 3.49Å; R432-G437 PolarHBondContact O-N 2.84Å; F435-G437 VanDerWaalsContact C-N 3.27Å; F435-G437 PolarHBondContact O-N 2.85Å
438	R	91	Very high	85.7	Confident	87 Å²	87	42.9 Å²	42.9	33%	0.328	22%	0.216	S	C	.	.			trans	-115.7	0.9	-176.2	-62.3	-165.3	-61.1	-178.6	-1.3	114.9	L368 K369 P370 H371 G436 A440	L368-R438 PolarHBondContact O-NH2 3.44Å; L368-R438 VanDerWaalsContact O-NH2 3.13Å; K369-R438 HydrophobicContact CB-CG 4.34Å; K369-R438 VanDerWaalsContact CB-NE 3.31Å; K369-R438 PolarHBondContact O-NE 3.14Å; K369-R438 PolarHBondContact O-NH2 3.49Å; P370-R438 CarbonylContact O-C 3.47Å; P370-R438 VanDerWaalsContact O-C 3.28Å; H371-R438 PolarHBondContact CD2-O 3.34Å; H371-R438 VanDerWaalsContact CE1-CZ 3.47Å; G436-R438 VanDerWaalsContact C-N 3.27Å; G436-R438 PolarHBondContact O-N 2.85Å; G436-R438 VanDerWaalsContact O-N 3.17Å; R438-A440 PolarHBondContact O-N 3.25Å
439	M	90.6	Very high	84.9	Confident	14 Å²	14	43.4 Å²	43.4	7%	0.069	22%	0.219	C	C	.	.			trans	-58	131.3	-179.5	-71.4	-158.2	-54.2	0	0	111.3	P370 L373 F435 L461 C463	P370-M439 WeakPolarHBondContact O-CA 3.38Å; P370-M439 PolarHBondContact O-N 3.29Å; L373-M439 HydrophobicContact CB-SD 4.03Å; L373-M439 HydrophobicContact CD2-SD 3.89Å; F435-M439 HydrophobicContact CB-CE 3.6Å; F435-M439 HydrophobicContact CB-SD 4.24Å; F435-M439 HydrophobicContact CD1-CE 4.48Å; F435-M439 HydrophobicContact CG-CE 3.99Å; M439-L461 HydrophobicContact CE-CB 3.82Å; M439-L461 HydrophobicContact CE-CD1 3.59Å; M439-L461 HydrophobicContact CE-CD2 3.4Å; M439-L461 HydrophobicContact CE-CG 3.75Å; M439-C463 HydrophobicContact CB-CB 4.28Å
440	A	88.7	Confident	84.1	Confident	20 Å²	20	37.8 Å²	37.8	17%	0.165	20%	0.196	C	C	.	.			trans	-126.3	-35.1	-176.5	0	0	0	0	0	111.4	L320 H371 R438 C463 S464	L320-A440 HydrophobicContact CD2-CB 3.39Å; H371-A440 PolarHBondContact O-N 2.74Å; R438-A440 PolarHBondContact O-N 3.25Å; A440-C463 VanDerWaalsContact C-CB 3.46Å; A440-C463 WeakPolarHBondContact O-CA 3.48Å; A440-C463 WeakPolarHBondContact O-CB 3.32Å; A440-S464 PolarHBondContact O-N 2.76Å
441	V	89.8	Confident	83.6	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.5	178.1	-173.2	0	0	0	0	109.6	L313 L318 L320 H371 W372 L373 I443 I466	L313-V441 HydrophobicContact CD2-CG1 4.12Å; L318-V441 HydrophobicContact CB-CG2 4.19Å; L318-V441 HydrophobicContact CD1-CG1 4.16Å; L318-V441 HydrophobicContact CD1-CG2 3.72Å; L318-V441 HydrophobicContact CD2-CG2 4.01Å; L318-V441 HydrophobicContact CG-CG2 4.2Å; L320-V441 HydrophobicContact CD1-CG2 3.71Å; L320-V441 HydrophobicContact CD2-CG2 4.34Å; H371-V441 PolarHBondContact O-N 2.97Å; W372-V441 WeakPolarHBondContact CA-O 3.38Å; L373-V441 PolarHBondContact N-O 3.2Å; V441-I443 HydrophobicContact CG1-CD1 4.28Å; V441-I443 HydrophobicContact CG1-CG1 3.8Å; V441-I466 HydrophobicContact CG1-CD1 4.4Å
442	C	91.5	Very high	83.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121	168.9	-177.9	0	0	0	0	107.3	L373 A375 S464 V465 I466	L373-C442 HydrophobicContact CB-CB 4.45Å; L373-C442 VanDerWaalsContact O-CA 3.32Å; L373-C442 WeakPolarHBondContact O-CA 3.27Å; A375-C442 VanDerWaalsContact CB-SG 3.59Å; C442-S464 PolarHBondContact N-O 3.02Å; C442-V465 HydrophobicContact CB-CG2 4.23Å; C442-V465 CarbonylContact O-C 3.32Å; C442-V465 VanDerWaalsContact O-CA 3.27Å; C442-V465 WeakPolarHBondContact O-CA 3.35Å; C442-I466 PolarHBondContact O-N 2.52Å
443	I	89.7	Confident	82.9	Confident	33 Å²	33	32.5 Å²	32.5	17%	0.169	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.7	178.2	-52.8	177.8	0	0	0	106.6	L313 Y336 L373 A375 V441 I466	L313-I443 HydrophobicContact CD2-CD1 4.24Å; Y336-I443 VanDerWaalsContact OH-CB 3.26Å; Y336-I443 WeakPolarHBondContact OH-CB 3.27Å; Y336-I443 VanDerWaalsContact OH-CG2 3.28Å; Y336-I443 WeakPolarHBondContact OH-CG2 3.21Å; Y336-I443 PolarHBondContact OH-O 2.86Å; L373-I443 PolarHBondContact O-N 3.32Å; A375-I443 WeakPolarHBondContact CA-O 3.13Å; A375-I443 PolarHBondContact N-O 3.25Å; V441-I443 HydrophobicContact CG1-CD1 4.28Å; V441-I443 HydrophobicContact CG1-CG1 3.8Å; I443-I466 CarbonylContact C-O 3.5Å; I443-I466 WeakPolarHBondContact CA-O 3.33Å; I443-I466 HydrophobicContact CG1-CB 4.48Å; I443-I466 HydrophobicContact CG2-CG2 4.49Å
444	S	87.3	Confident	82.6	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.1	171.1	-162.3	0	0	0	0	109	A375 T449 I466 E467 G468	A375-S444 WeakPolarHBondContact O-CA 3.12Å; S444-T449 PolarHBondContact OG-OG1 3.19Å; S444-I466 PolarHBondContact N-O 2.83Å; S444-E467 CarbonylContact O-C 3.24Å; S444-E467 VanDerWaalsContact O-CA 3.32Å; S444-E467 WeakPolarHBondContact O-CA 3.37Å; S444-G468 PolarHBondContact O-N 3.44Å
445	G	82.2	Confident	82.4	Confident	7 Å²	7	25.1 Å²	25.1	7%	0.072	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-166.6	172.4	0	0	0	0	0	111.4	A375 P377 A447 G468	A375-G445 PolarHBondContact O-N 2.77Å; P377-G445 WeakPolarHBondContact CD-O 3.35Å; G445-A447 PolarHBondContact O-N 2.97Å; G445-G468 WeakPolarHBondContact CA-O 3.32Å
446	S	65	Low	82.4	Confident	34 Å²	34	25 Å²	25	24%	0.238	15%	0.151	C	C	.	.	S	Bend	trans	73.3	-42	-177	-43.7	0	0	0	0	114.4	K696	S446-K696 VanDerWaalsContact C-CE 3.42Å; S446-K696 WeakPolarHBondContact O-CE 3.48Å; S446-K696 PolarHBondContact O-NZ 3Å
447	A	64.7	Low	82.4	Confident	28 Å²	28	24.9 Å²	24.9	23%	0.231	15%	0.15	C	C	.	.	S	Bend	trans	-140.2	164.5	179.9	0	0	0	0	0	111.8	P377 G445 K696	P377-A447 VanDerWaalsContact CG-C 3.41Å; P377-A447 HydrophobicContact CG-CB 3.68Å; P377-A447 WeakPolarHBondContact CG-O 3.07Å; G445-A447 PolarHBondContact O-N 2.97Å; A447-K696 HydrophobicContact CB-CG 4.45Å
448	P	65.8	Low	82.3	Confident	57 Å²	57	23.4 Å²	23.4	37%	0.37	13%	0.133	S	C	.	.			trans	-66.2	143.3	176.8	-14.9	28.6	0	0	0	111.7	P377	P377-P448 WeakPolarHBondContact CB-O 3.37Å; P377-P448 VanDerWaalsContact CG-O 3.31Å; P377-P448 WeakPolarHBondContact CG-O 3.43Å
449	T	72.2	Confident	82.2	Confident	11 Å²	11	19.3 Å²	19.3	7%	0.067	12%	0.117	C	C	.	.			trans	-118.8	153	169.7	-43.4	0	0	0	0	110.4	P377 L380 S444 V453 L454 E467	P377-T449 HydrophobicContact CB-CG2 4.3Å; P377-T449 WeakPolarHBondContact CB-OG1 3.12Å; P377-T449 VanDerWaalsContact CG-OG1 3.29Å; P377-T449 WeakPolarHBondContact CG-OG1 3.17Å; L380-T449 HydrophobicContact CD1-CG2 4.42Å; S444-T449 PolarHBondContact OG-OG1 3.19Å; T449-V453 HydrophobicContact CG2-CB 4.02Å; T449-V453 HydrophobicContact CG2-CG1 3.79Å; T449-L454 HydrophobicContact CG2-CD1 4.47Å; T449-L454 HydrophobicContact CG2-CD2 3.9Å; T449-L454 HydrophobicContact CG2-CG 3.79Å; T449-E467 WeakPolarHBondContact CB-OE1 3.43Å; T449-E467 PolarHBondContact N-OE1 3.49Å
450	T	73.9	Confident	82.2	Confident	12 Å²	12	18.6 Å²	18.6	7%	0.074	11%	0.114	C	C	.	.			trans	-76.7	147	-179.6	75.8	0	0	0	0	111.7	E452 V453 L454 R590	T450-E452 PolarHBondContact O-N 2.81Å; T450-V453 PolarHBondContact O-N 3.38Å; T450-V453 WeakPolarHBondContact OG1-CB 3.29Å; T450-V453 VanDerWaalsContact OG1-CG2 3.26Å; T450-V453 WeakPolarHBondContact OG1-CG2 3.31Å; T450-V453 PolarHBondContact OG1-N 3.06Å; T450-L454 WeakPolarHBondContact O-CD1 3.36Å; T450-L454 VanDerWaalsContact O-CG 3.32Å; T450-L454 WeakPolarHBondContact O-CG 3.5Å; T450-L454 PolarHBondContact O-N 3.41Å; T450-L454 VanDerWaalsContact O-N 3.08Å; T450-R590 HydrophobicContact CG2-CG 4.07Å
451	P	76.7	Confident	82.2	Confident	44 Å²	44	17.8 Å²	17.8	29%	0.286	11%	0.107	S	C	.	.	H	α-helix	trans	-49.2	-41.2	172.4	-34.9	39.5	0	0	0	114.7	N455 S488	P451-N455 WeakPolarHBondContact O-CB 3.5Å; P451-N455 VanDerWaalsContact O-CG 3.25Å; P451-N455 PolarHBondContact O-N 3.15Å; P451-N455 PolarHBondContact O-ND2 2.98Å; P451-S488 WeakPolarHBondContact CB-OG 3.34Å; P451-S488 WeakPolarHBondContact CG-OG 3.42Å
452	E	81.1	Confident	82	Confident	91 Å²	91	17.9 Å²	17.9	43%	0.425	11%	0.108	S	C	.	.	H	α-helix	trans	-67.1	-48.5	-177.1	-179.1	177.7	-172.8	0	0	111.5	T450 N455 T456	T450-E452 PolarHBondContact O-N 2.81Å; E452-N455 PolarHBondContact O-N 3.01Å; E452-T456 VanDerWaalsContact O-CB 3.23Å; E452-T456 WeakPolarHBondContact O-CB 3.36Å; E452-T456 PolarHBondContact O-N 2.88Å; E452-T456 PolarHBondContact O-OG1 2.87Å
453	V	83.1	Confident	81.8	Confident	9 Å²	9	18 Å²	18	6%	0.055	11%	0.109	C	C	.	.	H	α-helix	trans	-61.4	-48.3	178.9	169.8	0	0	0	0	109.6	L380 H384 T449 T450 N455 T456 C457	L380-V453 HydrophobicContact CB-CG1 3.83Å; H384-V453 HydrophobicContact CB-CG1 4.23Å; H384-V453 HydrophobicContact CB-CG2 4.37Å; T449-V453 HydrophobicContact CG2-CB 4.02Å; T449-V453 HydrophobicContact CG2-CG1 3.79Å; T450-V453 PolarHBondContact O-N 3.38Å; T450-V453 WeakPolarHBondContact OG1-CB 3.29Å; T450-V453 VanDerWaalsContact OG1-CG2 3.26Å; T450-V453 WeakPolarHBondContact OG1-CG2 3.31Å; T450-V453 PolarHBondContact OG1-N 3.06Å; V453-N455 PolarHBondContact O-N 3.44Å; V453-T456 PolarHBondContact O-N 3.14Å; V453-C457 VanDerWaalsContact O-CB 3.3Å; V453-C457 WeakPolarHBondContact O-CB 3.43Å; V453-C457 PolarHBondContact O-N 3.33Å; V453-C457 PolarHBondContact O-SG 2.83Å
454	L	83.5	Confident	81.6	Confident	1 Å²	1	16.4 Å²	16.4	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-60	-50.3	179.8	-66.9	162.3	0	0	0	112.2	L380 T449 T450 T456 C457 K458 V465 E467	L380-L454 HydrophobicContact CD1-CD2 4.02Å; T449-L454 HydrophobicContact CG2-CD1 4.47Å; T449-L454 HydrophobicContact CG2-CD2 3.9Å; T449-L454 HydrophobicContact CG2-CG 3.79Å; T450-L454 WeakPolarHBondContact O-CD1 3.36Å; T450-L454 VanDerWaalsContact O-CG 3.32Å; T450-L454 WeakPolarHBondContact O-CG 3.5Å; T450-L454 PolarHBondContact O-N 3.41Å; T450-L454 VanDerWaalsContact O-N 3.08Å; L454-T456 VanDerWaalsContact C-N 3.32Å; L454-T456 PolarHBondContact O-N 3.43Å; L454-C457 PolarHBondContact O-N 2.89Å; L454-K458 WeakPolarHBondContact O-CB 3.33Å; L454-K458 VanDerWaalsContact O-CG 3.29Å; L454-K458 WeakPolarHBondContact O-CG 3.33Å; L454-K458 PolarHBondContact O-N 3.36Å; L454-V465 HydrophobicContact CD2-CG1 3.83Å; L454-E467 HydrophobicContact CD1-CG 4Å; L454-E467 WeakPolarHBondContact CD1-OE2 3.44Å; L454-E467 HydrophobicContact CD2-CG 3.7Å; L454-E467 HydrophobicContact CG-CG 4.49Å
455	N	85.4	Confident	81.7	Confident	26 Å²	26	16.4 Å²	16.4	14%	0.139	10%	0.101	C	C	.	.	H	α-helix	trans	-65.3	-37.7	-178.5	-76.9	-39.3	0	0	0	111.9	L409 P451 E452 V453 A459	L409-N455 HydrophobicContact CD1-CB 4.08Å; L409-N455 HydrophobicContact CD2-CB 3.87Å; P451-N455 WeakPolarHBondContact O-CB 3.5Å; P451-N455 VanDerWaalsContact O-CG 3.25Å; P451-N455 PolarHBondContact O-N 3.15Å; P451-N455 PolarHBondContact O-ND2 2.98Å; E452-N455 PolarHBondContact O-N 3.01Å; V453-N455 PolarHBondContact O-N 3.44Å; N455-A459 WeakPolarHBondContact O-CB 3.43Å; N455-A459 PolarHBondContact O-N 3.31Å
456	T	88	Confident	82	Confident	8 Å²	8	16.2 Å²	16.2	5%	0.049	10%	0.098	C	C	.	.	H	α-helix	trans	-66.8	-44.3	175.2	-58.6	0	0	0	0	111	F401 I405 E452 V453 L454 A459 M460	F401-T456 HydrophobicContact CE1-CG2 4.28Å; F401-T456 HydrophobicContact CZ-CG2 4.19Å; I405-T456 HydrophobicContact CD1-CG2 3.92Å; I405-T456 HydrophobicContact CG1-CG2 4.4Å; E452-T456 VanDerWaalsContact O-CB 3.23Å; E452-T456 WeakPolarHBondContact O-CB 3.36Å; E452-T456 PolarHBondContact O-N 2.88Å; E452-T456 PolarHBondContact O-OG1 2.87Å; V453-T456 PolarHBondContact O-N 3.14Å; L454-T456 VanDerWaalsContact C-N 3.32Å; L454-T456 PolarHBondContact O-N 3.43Å; T456-A459 PolarHBondContact O-N 3.16Å; T456-M460 HydrophobicContact CG2-CE 4.28Å; T456-M460 WeakPolarHBondContact O-CB 3.33Å; T456-M460 PolarHBondContact O-N 3.11Å
457	C	90	Very high	83.1	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-47.3	174.1	-73.5	0	0	0	0	111.9	V453 L454 A459 M460 L461 V465	V453-C457 VanDerWaalsContact O-CB 3.3Å; V453-C457 WeakPolarHBondContact O-CB 3.43Å; V453-C457 PolarHBondContact O-N 3.33Å; V453-C457 PolarHBondContact O-SG 2.83Å; L454-C457 PolarHBondContact O-N 2.89Å; C457-A459 VanDerWaalsContact C-N 3.35Å; C457-A459 PolarHBondContact O-N 3.34Å; C457-M460 HydrophobicContact CB-CE 4.23Å; C457-M460 PolarHBondContact O-N 3.29Å; C457-M460 VanDerWaalsContact SG-CE 3.54Å; C457-L461 HydrophobicContact CB-CD1 4.26Å; C457-L461 WeakPolarHBondContact O-CB 3.49Å; C457-L461 VanDerWaalsContact O-CG 3.3Å; C457-L461 WeakPolarHBondContact O-CG 3.27Å; C457-L461 PolarHBondContact O-N 3.34Å; C457-V465 HydrophobicContact CB-CG2 4.27Å
458	K	88.7	Confident	84.3	Confident	6 Å²	6	14.7 Å²	14.7	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-51.7	-53.3	175.1	-75.2	175.1	-179.4	178.7	0	110.7	Y412 L454 G462 V465 D485	Y412-K458 HydrophobicContact CE2-CB 4.39Å; Y412-K458 PolarHBondContact OH-O 3.34Å; L454-K458 WeakPolarHBondContact O-CB 3.33Å; L454-K458 VanDerWaalsContact O-CG 3.29Å; L454-K458 WeakPolarHBondContact O-CG 3.33Å; L454-K458 PolarHBondContact O-N 3.36Å; K458-G462 WeakPolarHBondContact O-CA 3.33Å; K458-G462 PolarHBondContact O-N 2.81Å; K458-V465 HydrophobicContact CB-CG2 4.24Å; K458-V465 HydrophobicContact CD-CB 4.34Å; K458-V465 WeakPolarHBondContact CE-O 3.48Å; K458-V465 HydrophobicContact CG-CB 3.52Å; K458-V465 HydrophobicContact CG-CG2 3.52Å; K458-D485 PolarHBondContact NZ-O 3.09Å
459	A	88.7	Confident	85.6	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.4	-49.4	-178	0	0	0	0	0	113	I405 K408 Y412 R432 N455 T456 C457	I405-A459 HydrophobicContact CD1-CB 3.59Å; I405-A459 HydrophobicContact CG2-CB 4.35Å; K408-A459 HydrophobicContact CB-CB 3.61Å; K408-A459 HydrophobicContact CG-CB 4.21Å; Y412-A459 HydrophobicContact CE2-CB 4.49Å; R432-A459 PolarHBondContact NH2-O 2.73Å; N455-A459 WeakPolarHBondContact O-CB 3.43Å; N455-A459 PolarHBondContact O-N 3.31Å; T456-A459 PolarHBondContact O-N 3.16Å; C457-A459 VanDerWaalsContact C-N 3.35Å; C457-A459 PolarHBondContact O-N 3.34Å
460	M	89.9	Confident	86.5	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-70.9	-44.5	-173.2	91.3	176.8	122.8	0	0	111.9	I383 V387 F401 I405 F428 I431 R432 T456 C457 G462	I383-M460 HydrophobicContact CG2-CE 3.69Å; I383-M460 HydrophobicContact CG2-SD 4.35Å; V387-M460 HydrophobicContact CB-SD 4.47Å; V387-M460 HydrophobicContact CG2-SD 3.92Å; F401-M460 HydrophobicContact CE2-CB 4.45Å; F401-M460 HydrophobicContact CZ-CB 4.48Å; I405-M460 HydrophobicContact CD1-CB 4.28Å; F428-M460 HydrophobicContact CD1-CB 3.95Å; F428-M460 HydrophobicContact CE1-CB 4Å; I431-M460 HydrophobicContact CG2-CB 4.42Å; I431-M460 HydrophobicContact CG2-CG 4.21Å; I431-M460 HydrophobicContact CG2-SD 4.07Å; R432-M460 VanDerWaalsContact CG-O 3.23Å; R432-M460 WeakPolarHBondContact CG-O 3.48Å; R432-M460 PolarHBondContact NE-O 3.37Å; T456-M460 HydrophobicContact CG2-CE 4.28Å; T456-M460 WeakPolarHBondContact O-CB 3.33Å; T456-M460 PolarHBondContact O-N 3.11Å; C457-M460 HydrophobicContact CB-CE 4.23Å; C457-M460 PolarHBondContact O-N 3.29Å; C457-M460 VanDerWaalsContact SG-CE 3.54Å; M460-G462 VanDerWaalsContact C-N 3.33Å
461	L	88.8	Confident	87.4	Confident	3 Å²	3	13.9 Å²	13.9	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-77.2	-25.5	-177	-59.5	179.2	0	0	0	111.1	R432 F435 M439 C457 C463	R432-L461 WeakPolarHBondContact CD-O 3.3Å; R432-L461 PolarHBondContact NE-O 2.69Å; F435-L461 HydrophobicContact CD2-CD2 3.51Å; F435-L461 HydrophobicContact CE2-CD2 3.78Å; F435-L461 HydrophobicContact CG-CD2 3.96Å; F435-L461 HydrophobicContact CZ-CD2 4.43Å; M439-L461 HydrophobicContact CE-CB 3.82Å; M439-L461 HydrophobicContact CE-CD1 3.59Å; M439-L461 HydrophobicContact CE-CD2 3.4Å; M439-L461 HydrophobicContact CE-CG 3.75Å; C457-L461 HydrophobicContact CB-CD1 4.26Å; C457-L461 WeakPolarHBondContact O-CB 3.49Å; C457-L461 VanDerWaalsContact O-CG 3.3Å; C457-L461 WeakPolarHBondContact O-CG 3.27Å; C457-L461 PolarHBondContact O-N 3.34Å; L461-C463 VanDerWaalsContact CB-SG 3.5Å; L461-C463 PolarHBondContact O-N 2.87Å
462	G	86	Confident	88.3	Confident	4 Å²	4	12.3 Å²	12.3	4%	0.041	7%	0.072	C	C	.	.			trans	67.3	14.9	-176.2	0	0	0	0	0	113	N419 K458 M460	N419-G462 PolarHBondContact ND2-O 3.19Å; N419-G462 WeakPolarHBondContact OD1-CA 3.46Å; N419-G462 PolarHBondContact OD1-O 2.85Å; K458-G462 WeakPolarHBondContact O-CA 3.33Å; K458-G462 PolarHBondContact O-N 2.81Å; M460-G462 VanDerWaalsContact C-N 3.33Å
463	C	87.1	Confident	89	Confident	3 Å²	3	8.9 Å²	8.9	2%	0.02	6%	0.056	C	C	.	.	S	Bend	trans	-99.8	163.9	175.3	63.5	0	0	0	0	110.4	M439 A440 L461 V465	M439-C463 HydrophobicContact CB-CB 4.28Å; A440-C463 VanDerWaalsContact C-CB 3.46Å; A440-C463 WeakPolarHBondContact O-CA 3.48Å; A440-C463 WeakPolarHBondContact O-CB 3.32Å; L461-C463 VanDerWaalsContact CB-SG 3.5Å; L461-C463 PolarHBondContact O-N 2.87Å; C463-V465 PolarHBondContact O-N 3.08Å
464	S	86	Confident	89.6	Confident	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.7	166.9	-59.4	0	0	0	0	108.3	A440 C442	A440-S464 PolarHBondContact O-N 2.76Å; C442-S464 PolarHBondContact N-O 3.02Å
465	V	88.4	Confident	90.2	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	109.4	174.1	-174.9	0	0	0	0	107.7	L380 C442 L454 C457 K458 C463	L380-V465 HydrophobicContact CD1-CG1 4.2Å; C442-V465 HydrophobicContact CB-CG2 4.23Å; C442-V465 CarbonylContact O-C 3.32Å; C442-V465 VanDerWaalsContact O-CA 3.27Å; C442-V465 WeakPolarHBondContact O-CA 3.35Å; L454-V465 HydrophobicContact CD2-CG1 3.83Å; C457-V465 HydrophobicContact CB-CG2 4.27Å; K458-V465 HydrophobicContact CB-CG2 4.24Å; K458-V465 HydrophobicContact CD-CB 4.34Å; K458-V465 WeakPolarHBondContact CE-O 3.48Å; K458-V465 HydrophobicContact CG-CB 3.52Å; K458-V465 HydrophobicContact CG-CG2 3.52Å; C463-V465 PolarHBondContact O-N 3.08Å
466	I	88.5	Confident	90.6	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.01	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.4	-179.6	-63.9	168.1	0	0	0	107.4	L313 L318 V441 C442 I443 S444 C480 V483	L313-I466 HydrophobicContact CD2-CD1 4.14Å; L318-I466 HydrophobicContact CD1-CD1 3.91Å; V441-I466 HydrophobicContact CG1-CD1 4.4Å; C442-I466 PolarHBondContact O-N 2.52Å; I443-I466 CarbonylContact C-O 3.5Å; I443-I466 WeakPolarHBondContact CA-O 3.33Å; I443-I466 HydrophobicContact CG1-CB 4.48Å; I443-I466 HydrophobicContact CG2-CG2 4.49Å; S444-I466 PolarHBondContact N-O 2.83Å; I466-C480 HydrophobicContact CG2-CB 3.79Å; I466-V483 HydrophobicContact CD1-CG1 4.01Å; I466-V483 HydrophobicContact CG1-CG1 4.26Å
467	E	88.4	Confident	90.7	Very high	14 Å²	14	8.5 Å²	8.5	7%	0.065	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	167.8	-71.7	-167.4	103.3	0	0	108.8	S444 T449 L454 C480 T481	S444-E467 CarbonylContact O-C 3.24Å; S444-E467 VanDerWaalsContact O-CA 3.32Å; S444-E467 WeakPolarHBondContact O-CA 3.37Å; T449-E467 WeakPolarHBondContact CB-OE1 3.43Å; T449-E467 PolarHBondContact N-OE1 3.49Å; L454-E467 HydrophobicContact CD1-CG 4Å; L454-E467 WeakPolarHBondContact CD1-OE2 3.44Å; L454-E467 HydrophobicContact CD2-CG 3.7Å; L454-E467 HydrophobicContact CG-CG 4.49Å; E467-C480 CarbonylContact O-C 3.49Å; E467-C480 WeakPolarHBondContact O-CA 3.34Å; E467-T481 HydrophobicContact CB-CG2 4.04Å; E467-T481 PolarHBondContact N-OG1 3.29Å; E467-T481 PolarHBondContact O-N 2.96Å
468	G	90.3	Very high	90.9	Very high	16 Å²	16	8.5 Å²	8.5	17%	0.165	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.5	-179.9	0	0	0	0	0	112.7	S444 G445 C479	S444-G468 PolarHBondContact O-N 3.44Å; G445-G468 WeakPolarHBondContact CA-O 3.32Å; G468-C479 CarbonylContact C-O 3.47Å; G468-C479 WeakPolarHBondContact CA-O 3.29Å
469	Y	92.4	Very high	91.1	Very high	19 Å²	19	8.2 Å²	8.2	8%	0.075	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	144.2	170.6	168.6	-105.6	0	0	0	110.3	V478 C479 V491 I519 I521 D551 L561 I563	Y469-V478 HydrophobicContact CD1-CB 4.02Å; Y469-V478 HydrophobicContact CD1-CG1 4.44Å; Y469-V478 HydrophobicContact CE1-CB 4.37Å; Y469-V478 PolarHBondContact O-N 2.98Å; Y469-C479 PolarHBondContact N-O 2.79Å; Y469-C479 PolarHBondContact O-N 2.74Å; Y469-V491 HydrophobicContact CG-CG2 4.32Å; Y469-I519 HydrophobicContact CE1-CD1 4.34Å; Y469-I519 HydrophobicContact CE1-CG2 4.41Å; Y469-I521 HydrophobicContact CE1-CD1 4.49Å; Y469-D551 HydrophobicContact CE2-CB 4.42Å; Y469-D551 VanDerWaalsContact CE2-OD2 3.27Å; Y469-D551 WeakPolarHBondContact CE2-OD2 3.3Å; Y469-D551 PolarHBondContact OH-OD2 3.43Å; Y469-L561 HydrophobicContact CD1-CD2 4.4Å; Y469-I563 HydrophobicContact CD1-CD1 4.11Å; Y469-I563 HydrophobicContact CD2-CD1 3.57Å; Y469-I563 HydrophobicContact CD2-CG1 3.8Å; Y469-I563 HydrophobicContact CE1-CD1 4.31Å; Y469-I563 HydrophobicContact CE2-CD1 3.79Å; Y469-I563 HydrophobicContact CE2-CG1 4.33Å; Y469-I563 HydrophobicContact CG-CD1 3.75Å; Y469-I563 HydrophobicContact CG-CG1 4.18Å
470	G	92.6	Very high	91.3	Very high	25 Å²	25	8.6 Å²	8.6	26%	0.258	6%	0.06	S	C	.	.	E	Extended strand (participates in β ladder)	trans	172.2	165.5	-179.7	0	0	0	0	0	111.8	G476	G470-G476 WeakPolarHBondContact CA-O 3.17Å
471	Q	92.9	Very high	91.3	Very high	19 Å²	19	8.7 Å²	8.7	9%	0.089	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	172.4	177.4	57.7	176	-12.3	0	0	111.1	E473 S474 T475 G476 T549	Q471-E473 VanDerWaalsContact C-N 3.3Å; Q471-E473 HydrophobicContact CG-CB 4.27Å; Q471-E473 PolarHBondContact O-N 2.93Å; Q471-S474 WeakPolarHBondContact CG-OG 3.41Å; Q471-S474 PolarHBondContact N-OG 3.42Å; Q471-S474 VanDerWaalsContact N-OG 3.08Å; Q471-S474 PolarHBondContact O-N 3.29Å; Q471-S474 PolarHBondContact O-OG 3.05Å; Q471-S474 VanDerWaalsContact O-OG 3.05Å; Q471-T475 PolarHBondContact O-N 3.4Å; Q471-G476 PolarHBondContact N-O 3.46Å; Q471-G476 PolarHBondContact O-N 3.01Å; Q471-T549 VanDerWaalsContact NE2-CB 3.35Å; Q471-T549 VanDerWaalsContact NE2-CG2 3.29Å
472	T	94.4	Very high	91.1	Very high	12 Å²	12	8.6 Å²	8.6	7%	0.074	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-62.3	-41.3	178.4	-51.1	0	0	0	0	111.3	C283 T285 V295 I297 I335 S474 T475	C283-T472 HydrophobicContact CB-CG2 3.66Å; T285-T472 HydrophobicContact CG2-CG2 3.77Å; T285-T472 WeakPolarHBondContact CG2-OG1 3.36Å; V295-T472 HydrophobicContact CB-CG2 3.71Å; V295-T472 HydrophobicContact CG1-CG2 3.99Å; V295-T472 HydrophobicContact CG2-CG2 3.72Å; I297-T472 WeakPolarHBondContact CD1-O 3.5Å; I335-T472 HydrophobicContact CB-CG2 4.33Å; T472-S474 PolarHBondContact O-N 3.31Å; T472-T475 PolarHBondContact O-N 3.04Å
473	E	96	Very high	90.9	Very high	19 Å²	19	8.4 Å²	8.4	9%	0.089	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-64.9	-19.5	179.3	-67.2	83.3	168.5	0	0	113.3	V295 Q471 T527 Y530 I540 L547	V295-E473 HydrophobicContact CG1-CG 4.43Å; V295-E473 HydrophobicContact CG2-CG 4.15Å; Q471-E473 VanDerWaalsContact C-N 3.3Å; Q471-E473 HydrophobicContact CG-CB 4.27Å; Q471-E473 PolarHBondContact O-N 2.93Å; E473-T527 HydrophobicContact CB-CG2 3.9Å; E473-T527 HydrophobicContact CG-CG2 4.24Å; E473-T527 WeakPolarHBondContact O-CB 3.31Å; E473-T527 VanDerWaalsContact O-CG2 3.29Å; E473-T527 WeakPolarHBondContact O-CG2 3.08Å; E473-T527 PolarHBondContact O-N 3.28Å; E473-Y530 HydrophobicContact CG-CE1 4.26Å; E473-Y530 PolarHBondContact OE1-OH 3.01Å; E473-I540 HydrophobicContact CG-CD1 3.94Å; E473-L547 HydrophobicContact CB-CD1 3.91Å; E473-L547 HydrophobicContact CB-CD2 3.8Å; E473-L547 HydrophobicContact CB-CG 4.49Å
474	S	95.8	Very high	90.5	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-103	14.3	172.2	65.7	0	0	0	0	113	Q471 T472 G476 V478 E525	Q471-S474 WeakPolarHBondContact CG-OG 3.41Å; Q471-S474 PolarHBondContact N-OG 3.42Å; Q471-S474 VanDerWaalsContact N-OG 3.08Å; Q471-S474 PolarHBondContact O-N 3.29Å; Q471-S474 PolarHBondContact O-OG 3.05Å; Q471-S474 VanDerWaalsContact O-OG 3.05Å; T472-S474 PolarHBondContact O-N 3.31Å; S474-G476 VanDerWaalsContact C-N 3.25Å; S474-G476 PolarHBondContact O-N 3.38Å; S474-G476 PolarHBondContact OG-O 3.43Å; S474-V478 VanDerWaalsContact OG-CG2 3.3Å; S474-V478 WeakPolarHBondContact OG-CG2 3.46Å; S474-E525 CarbonylContact C-O 3Å; S474-E525 WeakPolarHBondContact O-CG 3.41Å
475	T	96.4	Very high	90.2	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.006	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	41.2	-175.8	-49.3	0	0	0	0	112.8	I297 N301 S305 I335 T339 Q471 T472 E525	I297-T475 HydrophobicContact CD1-CG2 4.33Å; I297-T475 WeakPolarHBondContact CD1-OG1 3.43Å; I297-T475 HydrophobicContact CG2-CG2 3.71Å; N301-T475 HydrophobicContact CB-CG2 4.03Å; N301-T475 WeakPolarHBondContact CB-OG1 3.25Å; S305-T475 VanDerWaalsContact CB-O 3.23Å; S305-T475 WeakPolarHBondContact CB-O 3.37Å; S305-T475 PolarHBondContact OG-O 3.23Å; I335-T475 HydrophobicContact CD1-CG2 4.11Å; I335-T475 HydrophobicContact CG1-CG2 4.37Å; T339-T475 PolarHBondContact OG1-O 2.9Å; Q471-T475 PolarHBondContact O-N 3.4Å; T472-T475 PolarHBondContact O-N 3.04Å; T475-E525 WeakPolarHBondContact CB-O 3.18Å; T475-E525 PolarHBondContact OG1-O 2.82Å
476	G	92.5	Very high	89.6	Confident	7 Å²	7	11.2 Å²	11.2	7%	0.072	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.9	-131.1	-178.3	0	0	0	0	0	112.8	G470 Q471 S474	G470-G476 WeakPolarHBondContact CA-O 3.17Å; Q471-G476 PolarHBondContact N-O 3.46Å; Q471-G476 PolarHBondContact O-N 3.01Å; S474-G476 VanDerWaalsContact C-N 3.25Å; S474-G476 PolarHBondContact O-N 3.38Å; S474-G476 PolarHBondContact OG-O 3.43Å
477	A	91.3	Very high	89.2	Confident	27 Å²	27	15 Å²	15	22%	0.223	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.7	-160.1	0	0	0	0	0	114.3	V309 K498	V309-A477 HydrophobicContact CG2-CB 3.71Å; A477-K498 WeakPolarHBondContact O-CE 3.44Å
478	V	94.1	Very high	88.7	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-51.7	177	-179.7	0	0	0	0	109.6	Y469 S474 S495 K498 V500 I521	Y469-V478 HydrophobicContact CD1-CB 4.02Å; Y469-V478 HydrophobicContact CD1-CG1 4.44Å; Y469-V478 HydrophobicContact CE1-CB 4.37Å; Y469-V478 PolarHBondContact O-N 2.98Å; S474-V478 VanDerWaalsContact OG-CG2 3.3Å; S474-V478 WeakPolarHBondContact OG-CG2 3.46Å; V478-S495 VanDerWaalsContact O-CB 3.3Å; V478-S495 WeakPolarHBondContact O-CB 3.21Å; V478-S495 PolarHBondContact O-N 2.97Å; V478-S495 PolarHBondContact O-OG 3.23Å; V478-K498 HydrophobicContact CB-CD 4.5Å; V478-K498 HydrophobicContact CG1-CD 4.2Å; V478-V500 HydrophobicContact CG1-CG2 4.2Å; V478-I521 HydrophobicContact CB-CD1 4.26Å; V478-I521 HydrophobicContact CG1-CD1 3.77Å; V478-I521 HydrophobicContact CG1-CG1 4.12Å; V478-I521 HydrophobicContact CG1-CG2 4.43Å; V478-I521 HydrophobicContact CG2-CD1 3.56Å
479	C	93.4	Very high	88.1	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153	178.5	-60.9	0	0	0	0	111.1	G468 Y469 V491 A493	G468-C479 CarbonylContact C-O 3.47Å; G468-C479 WeakPolarHBondContact CA-O 3.29Å; Y469-C479 PolarHBondContact N-O 2.79Å; Y469-C479 PolarHBondContact O-N 2.74Å; C479-V491 CarbonylContact C-O 3.52Å; C479-V491 HydrophobicContact CB-CG2 4.04Å; C479-A493 CarbonylContact C-O 3.52Å; C479-A493 WeakPolarHBondContact CA-O 3.39Å; C479-A493 WeakPolarHBondContact CB-O 3.27Å
480	C	91.9	Very high	87.9	Confident	8 Å²	8	16.3 Å²	16.3	5%	0.054	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	148.1	172.6	59	0	0	0	0	112.7	V312 I466 E467 V491 G492 A493	V312-C480 HydrophobicContact CG1-CB 4.3Å; V312-C480 WeakPolarHBondContact CG1-SG 3.39Å; V312-C480 VanDerWaalsContact CG2-SG 3.54Å; I466-C480 HydrophobicContact CG2-CB 3.79Å; E467-C480 CarbonylContact O-C 3.49Å; E467-C480 WeakPolarHBondContact O-CA 3.34Å; C480-V491 CarbonylContact C-O 3.51Å; C480-V491 WeakPolarHBondContact CA-O 3.14Å; C480-V491 PolarHBondContact N-O 2.84Å; C480-G492 CarbonylContact O-C 3.58Å; C480-A493 PolarHBondContact N-O 2.99Å; C480-A493 PolarHBondContact O-N 3.36Å
481	T	89.3	Confident	87.8	Confident	3 Å²	3	16 Å²	16	2%	0.018	11%	0.105	C	C	.	.			trans	-72.8	154.1	173.5	58.8	0	0	0	0	112.3	E467 H490 V491	E467-T481 HydrophobicContact CB-CG2 4.04Å; E467-T481 PolarHBondContact N-OG1 3.29Å; E467-T481 PolarHBondContact O-N 2.96Å; T481-H490 WeakPolarHBondContact CG2-O 3.45Å; T481-V491 PolarHBondContact N-O 3.23Å
482	F	86.3	Confident	87.7	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.101	C	C	.	.			trans	-73.6	149.9	171.9	-56.4	-37	0	0	0	111.4	L64 Q69 V83 F84 Q316 D484 D485 A493	L64-F482 HydrophobicContact CB-CE1 4.42Å; L64-F482 HydrophobicContact CB-CE2 4.17Å; L64-F482 HydrophobicContact CB-CZ 3.95Å; L64-F482 HydrophobicContact CD1-CE1 4Å; L64-F482 HydrophobicContact CD1-CZ 4.14Å; Q69-F482 HydrophobicContact CB-CZ 4.46Å; Q69-F482 HydrophobicContact CG-CD2 4.43Å; Q69-F482 HydrophobicContact CG-CE2 3.75Å; Q69-F482 HydrophobicContact CG-CZ 4.17Å; V83-F482 HydrophobicContact CG2-CE1 4.37Å; V83-F482 HydrophobicContact CG2-CZ 3.86Å; F84-F482 HydrophobicContact CE1-CD1 4.49Å; F84-F482 HydrophobicContact CE1-CE1 4.11Å; F84-F482 AromaticContact CE2-CE1 3.93Å; F84-F482 HydrophobicContact CE2-CE1 3.93Å; F84-F482 AromaticContact CZ-CD1 3.83Å; F84-F482 HydrophobicContact CZ-CD1 3.83Å; F84-F482 AromaticContact CZ-CE1 3.43Å; F84-F482 HydrophobicContact CZ-CE1 3.43Å; F84-F482 VanDerWaalsContact CZ-CE1 3.43Å; Q316-F482 VanDerWaalsContact OE1-C 3.29Å; F482-D484 WeakPolarHBondContact CB-OD1 3.41Å; F482-D484 PolarHBondContact O-N 3.12Å; F482-D485 HydrophobicContact CB-CB 4.14Å; F482-D485 VanDerWaalsContact O-CB 3.22Å; F482-D485 WeakPolarHBondContact O-CB 3.27Å; F482-D485 PolarHBondContact O-N 3.44Å; F482-A493 HydrophobicContact CD1-CB 4.4Å; F482-A493 HydrophobicContact CE1-CB 3.5Å; F482-A493 HydrophobicContact CZ-CB 3.7Å
483	V	81.4	Confident	87.7	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-31.6	179.7	-75.5	0	0	0	0	111.9	K60 Q316 L318 W417 I466	K60-V483 WeakPolarHBondContact O-CG2 3.32Å; Q316-V483 HydrophobicContact CB-CB 4.43Å; Q316-V483 HydrophobicContact CB-CG1 3.81Å; Q316-V483 HydrophobicContact CB-CG2 3.8Å; Q316-V483 HydrophobicContact CG-CG2 4.35Å; Q316-V483 VanDerWaalsContact OE1-CG1 3.28Å; L318-V483 HydrophobicContact CD1-CG1 3.47Å; L318-V483 VanDerWaalsContact CD1-CG1 3.47Å; L318-V483 HydrophobicContact CD2-CG1 3.94Å; L318-V483 HydrophobicContact CG-CG1 3.78Å; W417-V483 WeakPolarHBondContact CH2-O 3.26Å; I466-V483 HydrophobicContact CD1-CG1 4.01Å; I466-V483 HydrophobicContact CG1-CG1 4.26Å
484	D	77.3	Confident	87.6	Confident	18 Å²	18	13.6 Å²	13.6	10%	0.096	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	6.1	179.6	61.7	-15.8	0	0	0	113.5	Q61 S62 W417 F482 L486	Q61-D484 HydrophobicContact CG-CB 4.46Å; Q61-D484 WeakPolarHBondContact CG-OD2 3.35Å; S62-D484 VanDerWaalsContact CB-OD1 3.28Å; S62-D484 WeakPolarHBondContact CB-OD1 3.37Å; S62-D484 PolarHBondContact N-OD2 3.36Å; W417-D484 HydrophobicContact CZ2-CB 3.71Å; F482-D484 WeakPolarHBondContact CB-OD1 3.41Å; F482-D484 PolarHBondContact O-N 3.12Å; D484-L486 PolarHBondContact O-N 3.24Å
485	D	80.3	Confident	87.4	Confident	3 Å²	3	13.7 Å²	13.7	2%	0.016	9%	0.094	C	C	.	.			trans	-71.7	117.3	170.4	-156.4	-22.8	0	0	0	110.1	Q69 K458 F482 T487 H490	Q69-D485 PolarHBondContact NE2-OD2 3.26Å; K458-D485 PolarHBondContact NZ-O 3.09Å; F482-D485 HydrophobicContact CB-CB 4.14Å; F482-D485 VanDerWaalsContact O-CB 3.22Å; F482-D485 WeakPolarHBondContact O-CB 3.27Å; F482-D485 PolarHBondContact O-N 3.44Å; D485-T487 WeakPolarHBondContact OD1-CA 3.44Å; D485-T487 WeakPolarHBondContact OD1-CB 3.18Å; D485-T487 PolarHBondContact OD1-N 2.82Å; D485-T487 PolarHBondContact OD1-OG1 3.36Å; D485-H490 IonicContact OD2-CE1 3.56Å; D485-H490 PolarHBondContact OD2-CE1 3.2Å; D485-H490 IonicContact OD2-NE2 3.26Å; D485-H490 PolarHBondContact OD2-NE2 2.8Å
486	L	76.6	Confident	87	Confident	43 Å²	43	13.7 Å²	13.7	23%	0.225	9%	0.094	C	C	.	.			trans	-100.4	-5.4	175.5	-61.1	177.7	0	0	0	112.2	Y412 R413 W417 D484	Y412-L486 HydrophobicContact CD2-CD2 4.15Å; Y412-L486 HydrophobicContact CG-CD2 4.35Å; R413-L486 HydrophobicContact CB-CD1 4.31Å; R413-L486 HydrophobicContact CG-CD1 3.65Å; W417-L486 HydrophobicContact CH2-CD2 3.93Å; W417-L486 HydrophobicContact CZ2-CD2 4.16Å; D484-L486 PolarHBondContact O-N 3.24Å
487	T	79.4	Confident	86.9	Confident	80 Å²	80	16.6 Å²	16.6	49%	0.491	11%	0.106	S	C	.	.			trans	-78.9	160.9	167.2	64.8	0	0	0	0	109.4	D485 H490	D485-T487 WeakPolarHBondContact OD1-CA 3.44Å; D485-T487 WeakPolarHBondContact OD1-CB 3.18Å; D485-T487 PolarHBondContact OD1-N 2.82Å; D485-T487 PolarHBondContact OD1-OG1 3.36Å; T487-H490 PolarHBondContact OG1-NE2 3.33Å
488	S	77.5	Confident	86.9	Confident	34 Å²	34	15.5 Å²	15.5	24%	0.238	10%	0.096	C	C	.	.			trans	-155.1	166.7	-167.9	49.1	0	0	0	0	109.3	P451	P451-S488 WeakPolarHBondContact CB-OG 3.34Å; P451-S488 WeakPolarHBondContact CG-OG 3.42Å
489	G	78.3	Confident	87	Confident	37 Å²	37	18.3 Å²	18.3	38%	0.381	11%	0.109	S	C	.	.	S	Bend	trans	80.6	22.6	-172	0	0	0	0	0	113	K562	G489-K562 WeakPolarHBondContact O-CD 3.22Å; G489-K562 WeakPolarHBondContact O-CG 3.44Å
490	H	88.1	Confident	87.2	Confident	7 Å²	7	18.3 Å²	18.3	3%	0.032	11%	0.109	C	C	.	.	S	Bend	trans	-147.3	161.9	171.7	66.8	77.8	0	0	0	109.3	T481 D485 T487 G492 L556 L561 K562	T481-H490 WeakPolarHBondContact CG2-O 3.45Å; D485-H490 IonicContact OD2-CE1 3.56Å; D485-H490 PolarHBondContact OD2-CE1 3.2Å; D485-H490 IonicContact OD2-NE2 3.26Å; D485-H490 PolarHBondContact OD2-NE2 2.8Å; T487-H490 PolarHBondContact OG1-NE2 3.33Å; H490-G492 WeakPolarHBondContact ND1-CA 3.38Å; H490-G492 PolarHBondContact ND1-N 2.88Å; H490-L556 HydrophobicContact CB-CD1 3.76Å; H490-L561 WeakPolarHBondContact CB-O 3.33Å; H490-K562 HydrophobicContact CB-CB 4.14Å
491	V	89.8	Confident	87.4	Confident	18 Å²	18	18.9 Å²	18.9	11%	0.109	11%	0.111	C	C	.	.			trans	-103.1	1.8	-178.2	-62.8	0	0	0	0	112.7	Y469 C479 C480 T481 L561 I563	Y469-V491 HydrophobicContact CG-CG2 4.32Å; C479-V491 CarbonylContact C-O 3.52Å; C479-V491 HydrophobicContact CB-CG2 4.04Å; C480-V491 CarbonylContact C-O 3.51Å; C480-V491 WeakPolarHBondContact CA-O 3.14Å; C480-V491 PolarHBondContact N-O 2.84Å; T481-V491 PolarHBondContact N-O 3.23Å; V491-L561 HydrophobicContact CG2-CB 3.98Å; V491-L561 HydrophobicContact CG2-CD2 4.23Å; V491-L561 HydrophobicContact CG2-CG 4.1Å; V491-L561 WeakPolarHBondContact CG2-O 3.39Å; V491-L561 PolarHBondContact N-O 3.45Å; V491-I563 HydrophobicContact CG1-CG1 3.84Å; V491-I563 HydrophobicContact CG2-CD1 3.96Å; V491-I563 HydrophobicContact CG2-CG1 3.88Å
492	G	91.7	Very high	87.9	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	88.7	-144.4	160.4	0	0	0	0	0	114.6	C480 H490 A560 L561	C480-G492 CarbonylContact O-C 3.58Å; H490-G492 WeakPolarHBondContact ND1-CA 3.38Å; H490-G492 PolarHBondContact ND1-N 2.88Å; G492-A560 WeakPolarHBondContact O-CA 3.46Å; G492-L561 PolarHBondContact N-O 2.93Å; G492-L561 PolarHBondContact O-N 3.45Å
493	A	93.3	Very high	88.4	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	148	-172.8	0	0	0	0	0	112.3	Q69 V83 F84 C479 C480 F482	Q69-A493 HydrophobicContact CB-CB 3.91Å; Q69-A493 WeakPolarHBondContact O-CA 3.38Å; Q69-A493 WeakPolarHBondContact O-CB 3.15Å; V83-A493 HydrophobicContact CG2-CB 4.23Å; F84-A493 HydrophobicContact CE2-CB 3.94Å; C479-A493 CarbonylContact C-O 3.52Å; C479-A493 WeakPolarHBondContact CA-O 3.39Å; C479-A493 WeakPolarHBondContact CB-O 3.27Å; C480-A493 PolarHBondContact N-O 2.99Å; C480-A493 PolarHBondContact O-N 3.36Å; F482-A493 HydrophobicContact CD1-CB 4.4Å; F482-A493 HydrophobicContact CE1-CB 3.5Å; F482-A493 HydrophobicContact CZ-CB 3.7Å
494	I	94.5	Very high	89.1	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.6	172.1	-56.3	169.6	0	0	0	108.6	R80 S82 F84 K498 V500 W555	R80-I494 HydrophobicContact CB-CD1 3.65Å; R80-I494 WeakPolarHBondContact O-CD1 3.36Å; S82-I494 WeakPolarHBondContact CA-O 3.41Å; S82-I494 VanDerWaalsContact CB-O 3.25Å; S82-I494 WeakPolarHBondContact CB-O 3.2Å; S82-I494 PolarHBondContact OG-O 3.38Å; F84-I494 WeakPolarHBondContact CD2-O 3.38Å; I494-K498 HydrophobicContact CG2-CB 3.82Å; I494-V500 HydrophobicContact CD1-CB 3.89Å; I494-V500 HydrophobicContact CD1-CG2 3.92Å; I494-V500 HydrophobicContact CG1-CB 4.48Å; I494-V500 HydrophobicContact CG1-CG2 4.09Å; I494-V500 HydrophobicContact CG2-CG2 3.93Å; I494-W555 HydrophobicContact CD1-CH2 3.66Å; I494-W555 HydrophobicContact CD1-CZ2 4.49Å; I494-W555 HydrophobicContact CD1-CZ3 4.27Å; I494-W555 HydrophobicContact CG1-CH2 3.96Å; I494-W555 HydrophobicContact CG1-CZ3 4.32Å
495	S	91.3	Very high	89.9	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.007	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-71.5	159.1	175.9	-47.6	0	0	0	0	110.7	S82 S308 V478	S82-S495 WeakPolarHBondContact CB-O 3.48Å; S308-S495 WeakPolarHBondContact OG-CB 3.48Å; V478-S495 VanDerWaalsContact O-CB 3.3Å; V478-S495 WeakPolarHBondContact O-CB 3.21Å; V478-S495 PolarHBondContact O-N 2.97Å; V478-S495 PolarHBondContact O-OG 3.23Å
496	A	89.3	Confident	90.4	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.008	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	155.6	-174.4	0	0	0	0	0	114.1	S82 F84 W86 S308 L311 K498	S82-A496 PolarHBondContact OG-N 3.49Å; F84-A496 HydrophobicContact CB-CB 4.23Å; W86-A496 HydrophobicContact CB-CB 4.43Å; W86-A496 HydrophobicContact CE3-CB 3.8Å; S308-A496 PolarHBondContact OG-N 3.12Å; S308-A496 PolarHBondContact OG-O 2.98Å; L311-A496 HydrophobicContact CD2-CB 3.28Å; A496-K498 VanDerWaalsContact C-N 3.29Å; A496-K498 PolarHBondContact O-N 3.16Å; A496-K498 PolarHBondContact O-NZ 3.4Å
497	E	88.8	Confident	90.8	Very high	68 Å²	68	29.4 Å²	29.4	32%	0.318	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	25.7	-178	-60.7	-166.9	128.5	0	0	115.3	W86 K304	W86-E497 HydrophobicContact CB-CG 4.08Å; W86-E497 VanDerWaalsContact CD2-CD 3.44Å; W86-E497 HydrophobicContact CD2-CG 3.52Å; W86-E497 HydrophobicContact CE3-CG 3.68Å; W86-E497 HydrophobicContact CG-CG 3.7Å; W86-E497 WeakPolarHBondContact CH2-OE2 3.27Å; W86-E497 VanDerWaalsContact CZ2-OE2 3.27Å; W86-E497 WeakPolarHBondContact CZ2-OE2 3.35Å; W86-E497 HydrophobicContact CZ3-CG 4.22Å; W86-E497 PolarHBondContact NE1-OE1 3.29Å; K304-E497 WeakPolarHBondContact CD-OE2 3.17Å; K304-E497 VanDerWaalsContact NZ-CD 3.35Å; K304-E497 IonicContact NZ-OE1 3.69Å; K304-E497 PolarHBondContact NZ-OE1 3.07Å; K304-E497 IonicContact NZ-OE2 3.07Å; K304-E497 PolarHBondContact NZ-OE2 3.43Å
498	K	92	Very high	91	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.1	178.1	-46.9	-169.6	172.9	15.3	0	112.1	S308 A477 V478 I494 A496 E525	S308-K498 PolarHBondContact OG-NZ 3.04Å; A477-K498 WeakPolarHBondContact O-CE 3.44Å; V478-K498 HydrophobicContact CB-CD 4.5Å; V478-K498 HydrophobicContact CG1-CD 4.2Å; I494-K498 HydrophobicContact CG2-CB 3.82Å; A496-K498 VanDerWaalsContact C-N 3.29Å; A496-K498 PolarHBondContact O-N 3.16Å; A496-K498 PolarHBondContact O-NZ 3.4Å; K498-E525 WeakPolarHBondContact CD-OE1 3.42Å; K498-E525 WeakPolarHBondContact CE-OE1 3.47Å; K498-E525 WeakPolarHBondContact CG-OE1 3.4Å; K498-E525 IonicContact NZ-OE1 3.87Å; K498-E525 PolarHBondContact NZ-OE1 2.91Å; K498-E525 IonicContact NZ-OE2 3.91Å; K498-E525 PolarHBondContact NZ-OE2 3.18Å
499	E	95.8	Very high	91.5	Very high	60 Å²	60	29.4 Å²	29.4	28%	0.28	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.4	166.6	-64.3	179.4	126.5	0	0	108.9	I79 T81 I521 R522 W546	I79-E499 HydrophobicContact CG2-CB 3.88Å; I79-E499 HydrophobicContact CG2-CG 4.18Å; T81-E499 HydrophobicContact CG2-CG 4.04Å; E499-I521 WeakPolarHBondContact O-CA 3.49Å; E499-R522 HydrophobicContact CB-CB 4.37Å; E499-R522 PolarHBondContact N-O 3.42Å; E499-R522 PolarHBondContact O-N 2.85Å; E499-R522 IonicContact OE1-NH2 3.22Å; E499-R522 IonicContact OE2-CZ 2.75Å; E499-R522 IonicContact OE2-NE 2.65Å; E499-R522 PolarHBondContact OE2-NE 3.18Å; E499-R522 IonicContact OE2-NH2 3.4Å; E499-R522 PolarHBondContact OE2-NH2 3.35Å; E499-W546 HydrophobicContact CB-CH2 3.84Å; E499-W546 HydrophobicContact CB-CZ3 4.22Å
500	V	97.9	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.6	177.9	-173.8	0	0	0	0	109.1	R80 V478 I494 I519 C520 I521 W555	R80-V500 PolarHBondContact N-O 2.81Å; R80-V500 PolarHBondContact O-N 2.94Å; V478-V500 HydrophobicContact CG1-CG2 4.2Å; I494-V500 HydrophobicContact CD1-CB 3.89Å; I494-V500 HydrophobicContact CD1-CG2 3.92Å; I494-V500 HydrophobicContact CG1-CB 4.48Å; I494-V500 HydrophobicContact CG1-CG2 4.09Å; I494-V500 HydrophobicContact CG2-CG2 3.93Å; V500-I519 HydrophobicContact CG1-CG2 3.81Å; V500-C520 VanDerWaalsContact CA-O 3.31Å; V500-C520 WeakPolarHBondContact CA-O 3.42Å; V500-I521 HydrophobicContact CG2-CG1 4.5Å; V500-W555 HydrophobicContact CB-CH2 4.19Å; V500-W555 HydrophobicContact CB-CZ2 4.15Å; V500-W555 HydrophobicContact CG1-CH2 4.02Å; V500-W555 HydrophobicContact CG1-CZ2 3.8Å
501	K	97.5	Very high	92.4	Very high	19 Å²	19	33.7 Å²	33.7	8%	0.083	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163	168.5	68.9	179.2	176.2	179.6	0	110.7	E77 I79 V503 C520 W546	E77-K501 IonicContact OE1-NZ 3.48Å; E77-K501 PolarHBondContact OE1-NZ 3.07Å; I79-K501 HydrophobicContact CG1-CB 4.3Å; K501-V503 HydrophobicContact CD-CG2 4.4Å; K501-V503 HydrophobicContact CG-CG2 4.3Å; K501-C520 HydrophobicContact CG-CB 3.93Å; K501-C520 PolarHBondContact N-O 3.19Å; K501-C520 PolarHBondContact O-N 3.43Å; K501-W546 HydrophobicContact CB-CH2 4.22Å; K501-W546 HydrophobicContact CB-CZ3 4.34Å; K501-W546 HydrophobicContact CD-CD2 4.22Å; K501-W546 HydrophobicContact CD-CE3 4.42Å; K501-W546 HydrophobicContact CD-CH2 4.07Å; K501-W546 HydrophobicContact CD-CZ2 3.83Å; K501-W546 HydrophobicContact CD-CZ3 4.36Å; K501-W546 VanDerWaalsContact CE-CE2 3.43Å; K501-W546 HydrophobicContact CG-CD2 4.32Å; K501-W546 HydrophobicContact CG-CE3 4.04Å; K501-W546 HydrophobicContact CG-CH2 3.91Å; K501-W546 HydrophobicContact CG-CZ2 4.2Å; K501-W546 HydrophobicContact CG-CZ3 3.83Å
502	L	97.8	Very high	92.7	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.058	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.9	166.9	-60.5	179.9	0	0	0	108.3	A512 D515 E518 I519 W555	L502-A512 HydrophobicContact CB-CB 4.16Å; L502-A512 VanDerWaalsContact O-CB 3.24Å; L502-A512 WeakPolarHBondContact O-CB 3.49Å; L502-D515 VanDerWaalsContact CD1-C 3.45Å; L502-D515 VanDerWaalsContact CD1-O 3.22Å; L502-D515 WeakPolarHBondContact CD1-O 3.47Å; L502-E518 CarbonylContact C-O 3.57Å; L502-E518 VanDerWaalsContact CA-O 3.3Å; L502-E518 WeakPolarHBondContact CA-O 3.36Å; L502-I519 HydrophobicContact CD2-CB 4.44Å; L502-I519 HydrophobicContact CD2-CG1 3.81Å; L502-W555 HydrophobicContact CD1-CG 4.15Å
503	V	97	Very high	92.8	Very high	43 Å²	43	37.4 Å²	37.4	26%	0.261	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.9	176.3	176.8	0	0	0	0	108.9	K501 G517 E518 C520	K501-V503 HydrophobicContact CD-CG2 4.4Å; K501-V503 HydrophobicContact CG-CG2 4.3Å; V503-G517 CarbonylContact O-C 2.81Å; V503-G517 WeakPolarHBondContact O-CA 3.3Å; V503-E518 PolarHBondContact N-O 3.26Å; V503-E518 PolarHBondContact O-N 3.06Å; V503-C520 HydrophobicContact CG2-CB 4.25Å; V503-C520 WeakPolarHBondContact CG2-SG 3.49Å
504	D	96.4	Very high	92.8	Very high	71 Å²	71	42.8 Å²	42.8	38%	0.38	23%	0.226	S	C	.	.			trans	-57	143.7	179.1	-65.2	-15.6	0	0	0	111.4	P506 W511 A512	D504-P506 HydrophobicContact CB-CG 4.45Å; D504-W511 HydrophobicContact CB-CE3 4.11Å; D504-W511 HydrophobicContact CB-CZ3 4.43Å; D504-W511 WeakPolarHBondContact OD1-CA 3.18Å; D504-A512 VanDerWaalsContact OD1-CB 3.32Å; D504-A512 WeakPolarHBondContact OD1-CB 3.42Å; D504-A512 PolarHBondContact OD1-N 3.04Å
505	V	93.9	Very high	92.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-129.4	76.2	171.4	-169.5	0	0	0	0	107.5	E507 L508 N509 Y510 E518 I552 K567	V505-E507 HydrophobicContact CG1-CG 3.97Å; V505-E507 WeakPolarHBondContact CG1-OE1 3.48Å; V505-E507 PolarHBondContact O-N 3.41Å; V505-L508 HydrophobicContact CB-CB 4.42Å; V505-L508 HydrophobicContact CG1-CB 3.88Å; V505-L508 HydrophobicContact CG1-CD1 3.88Å; V505-L508 HydrophobicContact CG1-CG 3.74Å; V505-L508 CarbonylContact O-C 3.56Å; V505-L508 PolarHBondContact O-N 2.79Å; V505-N509 PolarHBondContact O-N 2.81Å; V505-Y510 PolarHBondContact N-O 2.92Å; V505-Y510 PolarHBondContact O-N 3.05Å; V505-E518 HydrophobicContact CG2-CB 3.71Å; V505-I552 HydrophobicContact CB-CD1 4.44Å; V505-I552 HydrophobicContact CG2-CD1 3.78Å; V505-K567 HydrophobicContact CG1-CD 4.16Å; V505-K567 HydrophobicContact CG1-CG 4.41Å
506	P	90.8	Very high	93.1	Very high	65 Å²	65	47.8 Å²	47.8	42%	0.422	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-56.9	-35	-174.2	-24.9	34.9	0	0	0	112.5	D504 L508 N509 W511	D504-P506 HydrophobicContact CB-CG 4.45Å; P506-L508 PolarHBondContact O-N 2.98Å; P506-L508 VanDerWaalsContact O-N 3.14Å; P506-N509 PolarHBondContact O-N 3.37Å; P506-N509 VanDerWaalsContact O-N 3.11Å; P506-W511 HydrophobicContact CB-CH2 3.91Å; P506-W511 HydrophobicContact CB-CZ2 4.5Å; P506-W511 HydrophobicContact CB-CZ3 4.36Å; P506-W511 HydrophobicContact CG-CH2 4.1Å; P506-W511 HydrophobicContact CG-CZ3 4.05Å
507	E	86.3	Confident	93.4	Very high	99 Å²	99	47.7 Å²	47.7	46%	0.463	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-65.3	-14.6	178.1	69.8	-86.6	-155.2	0	0	114	V505 K567 Y578	V505-E507 HydrophobicContact CG1-CG 3.97Å; V505-E507 WeakPolarHBondContact CG1-OE1 3.48Å; V505-E507 PolarHBondContact O-N 3.41Å; E507-K567 WeakPolarHBondContact OE1-CE 3.48Å; E507-K567 IonicContact OE1-NZ 3.69Å; E507-K567 PolarHBondContact OE1-NZ 2.81Å; E507-Y578 WeakPolarHBondContact O-CE1 3.42Å; E507-Y578 PolarHBondContact O-OH 2.81Å
508	L	83.7	Confident	93.8	Very high	15 Å²	15	45.3 Å²	45.3	8%	0.079	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-116.9	8.3	175.2	-61.8	-174.1	0	0	0	112.9	V505 P506 Y510 I552 K567 I570 Y578	V505-L508 HydrophobicContact CB-CB 4.42Å; V505-L508 HydrophobicContact CG1-CB 3.88Å; V505-L508 HydrophobicContact CG1-CD1 3.88Å; V505-L508 HydrophobicContact CG1-CG 3.74Å; V505-L508 CarbonylContact O-C 3.56Å; V505-L508 PolarHBondContact O-N 2.79Å; P506-L508 PolarHBondContact O-N 2.98Å; P506-L508 VanDerWaalsContact O-N 3.14Å; L508-Y510 VanDerWaalsContact C-N 3.31Å; L508-Y510 HydrophobicContact CB-CD2 3.53Å; L508-Y510 HydrophobicContact CB-CE2 3.79Å; L508-Y510 HydrophobicContact CD1-CD2 4.29Å; L508-Y510 HydrophobicContact CD1-CE2 4.25Å; L508-Y510 PolarHBondContact O-N 2.61Å; L508-I552 HydrophobicContact CD1-CD1 4.3Å; L508-I552 HydrophobicContact CD1-CG1 4.3Å; L508-K567 HydrophobicContact CD1-CG 4.05Å; L508-I570 HydrophobicContact CD1-CB 4.24Å; L508-I570 HydrophobicContact CD1-CD1 3.98Å; L508-I570 HydrophobicContact CD1-CG2 4.35Å; L508-I570 HydrophobicContact CD2-CB 4.44Å; L508-I570 HydrophobicContact CD2-CG2 4.01Å; L508-Y578 HydrophobicContact CD2-CD1 3.49Å; L508-Y578 VanDerWaalsContact CD2-CD1 3.49Å; L508-Y578 HydrophobicContact CD2-CE1 3.4Å; L508-Y578 VanDerWaalsContact CD2-CE1 3.4Å
509	N	87.2	Confident	94.1	Very high	98 Å²	98	45.1 Å²	45.1	52%	0.524	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	39.2	-174	-65.1	-28.9	0	0	0	114.1	V505 P506	V505-N509 PolarHBondContact O-N 2.81Å; P506-N509 PolarHBondContact O-N 3.37Å; P506-N509 VanDerWaalsContact O-N 3.11Å
510	Y	91.5	Very high	94.2	Very high	34 Å²	34	42.2 Å²	42.2	13%	0.133	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-108.7	128	171.4	-66.1	-63.1	0	0	0	111.2	V505 L508 K516 I552 I564 I570	V505-Y510 PolarHBondContact N-O 2.92Å; V505-Y510 PolarHBondContact O-N 3.05Å; L508-Y510 VanDerWaalsContact C-N 3.31Å; L508-Y510 HydrophobicContact CB-CD2 3.53Å; L508-Y510 HydrophobicContact CB-CE2 3.79Å; L508-Y510 HydrophobicContact CD1-CD2 4.29Å; L508-Y510 HydrophobicContact CD1-CE2 4.25Å; L508-Y510 PolarHBondContact O-N 2.61Å; Y510-K516 HydrophobicContact CD1-CB 3.78Å; Y510-K516 HydrophobicContact CD1-CD 3.89Å; Y510-K516 HydrophobicContact CD1-CG 4.42Å; Y510-K516 HydrophobicContact CE1-CD 4.15Å; Y510-K516 HydrophobicContact CG-CB 4.47Å; Y510-I552 HydrophobicContact CD1-CG2 4.28Å; Y510-I552 HydrophobicContact CD2-CD1 4.37Å; Y510-I552 HydrophobicContact CD2-CG1 4.29Å; Y510-I552 HydrophobicContact CD2-CG2 3.75Å; Y510-I552 HydrophobicContact CE1-CG2 4.29Å; Y510-I552 HydrophobicContact CE2-CG1 4.27Å; Y510-I552 HydrophobicContact CE2-CG2 3.79Å; Y510-I552 HydrophobicContact CG-CG2 4.02Å; Y510-I564 HydrophobicContact CE1-CD1 3.89Å; Y510-I570 HydrophobicContact CE2-CD1 4.04Å
511	W	94.3	Very high	94.2	Very high	100 Å²	100	42.2 Å²	42.2	38%	0.379	22%	0.223	S	C	.	.			trans	-123.9	126.9	-177.7	-55	105.1	0	0	0	110.8	D504 P506 A513 E514 K516	D504-W511 HydrophobicContact CB-CE3 4.11Å; D504-W511 HydrophobicContact CB-CZ3 4.43Å; D504-W511 WeakPolarHBondContact OD1-CA 3.18Å; P506-W511 HydrophobicContact CB-CH2 3.91Å; P506-W511 HydrophobicContact CB-CZ2 4.5Å; P506-W511 HydrophobicContact CB-CZ3 4.36Å; P506-W511 HydrophobicContact CG-CH2 4.1Å; P506-W511 HydrophobicContact CG-CZ3 4.05Å; W511-A513 PolarHBondContact O-N 3.14Å; W511-E514 HydrophobicContact CB-CG 4.18Å; W511-E514 CarbonylContact O-C 3.59Å; W511-E514 WeakPolarHBondContact O-CA 3.4Å; W511-E514 WeakPolarHBondContact O-CB 3.19Å; W511-E514 PolarHBondContact O-N 2.86Å; W511-K516 CarbonylContact C-O 3.52Å; W511-K516 PolarHBondContact N-O 2.95Å; W511-K516 PolarHBondContact O-N 3.38Å
512	A	94.9	Very high	94.2	Very high	15 Å²	15	44.9 Å²	44.9	12%	0.124	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-62.3	-27.3	-180	0	0	0	0	0	111.8	R78 L502 D504 E514 D515 K516	R78-A512 PolarHBondContact NE-O 2.97Å; L502-A512 HydrophobicContact CB-CB 4.16Å; L502-A512 VanDerWaalsContact O-CB 3.24Å; L502-A512 WeakPolarHBondContact O-CB 3.49Å; D504-A512 VanDerWaalsContact OD1-CB 3.32Å; D504-A512 WeakPolarHBondContact OD1-CB 3.42Å; D504-A512 PolarHBondContact OD1-N 3.04Å; A512-E514 PolarHBondContact O-N 3.48Å; A512-D515 WeakPolarHBondContact O-CA 3.47Å; A512-D515 PolarHBondContact O-N 3.2Å; A512-K516 WeakPolarHBondContact CA-O 3.36Å; A512-K516 PolarHBondContact N-O 3.01Å
513	A	94.1	Very high	94	Very high	82 Å²	82	45.5 Å²	45.5	68%	0.678	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-60.7	-29.2	170.8	0	0	0	0	0	112.9	W511 D515	W511-A513 PolarHBondContact O-N 3.14Å; A513-D515 VanDerWaalsContact C-N 3.29Å
514	E	94.1	Very high	93.9	Very high	113 Å²	113	46.6 Å²	46.6	53%	0.528	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-93.5	17.1	173.9	-58.4	179.4	-170.9	0	0	112.4	W511 A512 K516	W511-E514 HydrophobicContact CB-CG 4.18Å; W511-E514 CarbonylContact O-C 3.59Å; W511-E514 WeakPolarHBondContact O-CA 3.4Å; W511-E514 WeakPolarHBondContact O-CB 3.19Å; W511-E514 PolarHBondContact O-N 2.86Å; A512-E514 PolarHBondContact O-N 3.48Å; E514-K516 PolarHBondContact O-N 3.43Å
515	D	96.2	Very high	93.7	Very high	42 Å²	42	43.3 Å²	43.3	23%	0.225	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	28.4	-177.1	-76.8	-46.1	0	0	0	113.4	R78 L502 A512 A513 Q554 W555	R78-D515 IonicContact CZ-OD1 3.72Å; R78-D515 IonicContact NE-OD1 3.65Å; R78-D515 VanDerWaalsContact NH2-CG 3.32Å; R78-D515 IonicContact NH2-OD1 2.74Å; R78-D515 PolarHBondContact NH2-OD1 3.38Å; R78-D515 IonicContact NH2-OD2 3.36Å; R78-D515 PolarHBondContact NH2-OD2 2.73Å; L502-D515 VanDerWaalsContact CD1-C 3.45Å; L502-D515 VanDerWaalsContact CD1-O 3.22Å; L502-D515 WeakPolarHBondContact CD1-O 3.47Å; A512-D515 WeakPolarHBondContact O-CA 3.47Å; A512-D515 PolarHBondContact O-N 3.2Å; A513-D515 VanDerWaalsContact C-N 3.29Å; D515-Q554 CarbonylContact O-C 3.49Å; D515-Q554 WeakPolarHBondContact O-CA 3.44Å; D515-Q554 WeakPolarHBondContact O-CG 3.33Å; D515-W555 HydrophobicContact CB-CB 3.95Å; D515-W555 PolarHBondContact O-N 2.9Å
516	K	95.4	Very high	93.8	Very high	63 Å²	63	44.1 Å²	44.1	27%	0.274	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.7	175.3	-64.5	175.6	-171.7	166	0	111.4	Y510 W511 A512 E514 G553 Q554	Y510-K516 HydrophobicContact CD1-CB 3.78Å; Y510-K516 HydrophobicContact CD1-CD 3.89Å; Y510-K516 HydrophobicContact CD1-CG 4.42Å; Y510-K516 HydrophobicContact CE1-CD 4.15Å; Y510-K516 HydrophobicContact CG-CB 4.47Å; W511-K516 CarbonylContact C-O 3.52Å; W511-K516 PolarHBondContact N-O 2.95Å; W511-K516 PolarHBondContact O-N 3.38Å; A512-K516 WeakPolarHBondContact CA-O 3.36Å; A512-K516 PolarHBondContact N-O 3.01Å; E514-K516 PolarHBondContact O-N 3.43Å; K516-G553 WeakPolarHBondContact CA-O 3.34Å; K516-Q554 HydrophobicContact CG-CB 4.1Å; K516-Q554 HydrophobicContact CG-CG 3.85Å
517	G	96.1	Very high	94.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-175.3	177.3	0	0	0	0	0	113.2	V503 I519 I552 G553	V503-G517 CarbonylContact O-C 2.81Å; V503-G517 WeakPolarHBondContact O-CA 3.3Å; G517-I519 PolarHBondContact O-N 3.49Å; G517-I552 CarbonylContact O-C 3.55Å; G517-I552 WeakPolarHBondContact O-CA 3.43Å; G517-G553 PolarHBondContact N-O 3.35Å; G517-G553 PolarHBondContact O-N 3.47Å
518	E	97.1	Very high	94.6	Very high	17 Å²	17	39.9 Å²	39.9	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	128.3	170	175.7	171.6	-137.5	0	0	109.8	L502 V503 V505 C520 H548 G550 D551 I552	L502-E518 CarbonylContact C-O 3.57Å; L502-E518 VanDerWaalsContact CA-O 3.3Å; L502-E518 WeakPolarHBondContact CA-O 3.36Å; V503-E518 PolarHBondContact N-O 3.26Å; V503-E518 PolarHBondContact O-N 3.06Å; V505-E518 HydrophobicContact CG2-CB 3.71Å; E518-C520 PolarHBondContact O-N 2.86Å; E518-H548 IonicContact OE2-CE1 2.71Å; E518-H548 IonicContact OE2-CG 2.73Å; E518-H548 IonicContact OE2-ND1 3.51Å; E518-H548 PolarHBondContact OE2-ND1 3.13Å; E518-G550 WeakPolarHBondContact OE1-CA 3.35Å; E518-G550 PolarHBondContact OE1-N 3.34Å; E518-D551 WeakPolarHBondContact CA-O 3.48Å; E518-I552 HydrophobicContact CB-CD1 4.37Å
519	I	97.9	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.4	174.5	-60.5	159	0	0	0	107.8	Y469 V500 L502 G517 I521 T549 D551 L561 I563	Y469-I519 HydrophobicContact CE1-CD1 4.34Å; Y469-I519 HydrophobicContact CE1-CG2 4.41Å; V500-I519 HydrophobicContact CG1-CG2 3.81Å; L502-I519 HydrophobicContact CD2-CB 4.44Å; L502-I519 HydrophobicContact CD2-CG1 3.81Å; G517-I519 PolarHBondContact O-N 3.49Å; I519-I521 HydrophobicContact CG2-CG1 4.12Å; I519-T549 HydrophobicContact CB-CG2 4.33Å; I519-T549 HydrophobicContact CG2-CG2 4.14Å; I519-T549 WeakPolarHBondContact O-CB 3.25Å; I519-T549 WeakPolarHBondContact O-CG2 3.33Å; I519-T549 PolarHBondContact O-N 2.89Å; I519-T549 PolarHBondContact O-OG1 3.4Å; I519-D551 HydrophobicContact CD1-CB 4.17Å; I519-D551 PolarHBondContact N-O 3.03Å; I519-L561 HydrophobicContact CD1-CD1 4.39Å; I519-L561 HydrophobicContact CD1-CD2 4Å; I519-L561 HydrophobicContact CG1-CD1 4.37Å; I519-L561 HydrophobicContact CG1-CD2 4.42Å; I519-I563 HydrophobicContact CD1-CD1 3.44Å; I519-I563 VanDerWaalsContact CD1-CD1 3.44Å
520	C	98	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.4	172.8	-67.1	0	0	0	0	109.9	V500 K501 V503 E518 W546 L547	V500-C520 VanDerWaalsContact CA-O 3.31Å; V500-C520 WeakPolarHBondContact CA-O 3.42Å; K501-C520 HydrophobicContact CG-CB 3.93Å; K501-C520 PolarHBondContact N-O 3.19Å; K501-C520 PolarHBondContact O-N 3.43Å; V503-C520 HydrophobicContact CG2-CB 4.25Å; V503-C520 WeakPolarHBondContact CG2-SG 3.49Å; E518-C520 PolarHBondContact O-N 2.86Å; C520-W546 HydrophobicContact CB-CB 4.32Å; C520-W546 HydrophobicContact CB-CD2 4.45Å; C520-W546 HydrophobicContact CB-CE3 3.9Å; C520-W546 WeakPolarHBondContact O-CZ3 3.45Å; C520-L547 VanDerWaalsContact CA-O 3.26Å; C520-L547 WeakPolarHBondContact CA-O 3.4Å
521	I	97.9	Very high	95.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.8	-173.1	-54.1	163	0	0	0	110.3	Y469 V478 E499 V500 I519 V526 L547 T549	Y469-I521 HydrophobicContact CE1-CD1 4.49Å; V478-I521 HydrophobicContact CB-CD1 4.26Å; V478-I521 HydrophobicContact CG1-CD1 3.77Å; V478-I521 HydrophobicContact CG1-CG1 4.12Å; V478-I521 HydrophobicContact CG1-CG2 4.43Å; V478-I521 HydrophobicContact CG2-CD1 3.56Å; E499-I521 WeakPolarHBondContact O-CA 3.49Å; V500-I521 HydrophobicContact CG2-CG1 4.5Å; I519-I521 HydrophobicContact CG2-CG1 4.12Å; I521-V526 HydrophobicContact CG2-CG2 4.1Å; I521-L547 PolarHBondContact N-O 3.3Å; I521-L547 WeakPolarHBondContact O-CB 3.49Å; I521-L547 PolarHBondContact O-N 2.8Å; I521-T549 HydrophobicContact CD1-CG2 3.46Å; I521-T549 VanDerWaalsContact CD1-CG2 3.46Å; I521-T549 HydrophobicContact CG1-CG2 3.89Å
522	R	97	Very high	95.9	Very high	75 Å²	75	35.7 Å²	35.7	28%	0.283	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.7	169.8	-173.8	170.1	67.8	-171	0	109.9	E499 D544 W546	E499-R522 HydrophobicContact CB-CB 4.37Å; E499-R522 PolarHBondContact N-O 3.42Å; E499-R522 PolarHBondContact O-N 2.85Å; E499-R522 IonicContact OE1-NH2 3.22Å; E499-R522 IonicContact OE2-CZ 2.75Å; E499-R522 IonicContact OE2-NE 2.65Å; E499-R522 PolarHBondContact OE2-NE 3.18Å; E499-R522 IonicContact OE2-NH2 3.4Å; E499-R522 PolarHBondContact OE2-NH2 3.35Å; R522-D544 PolarHBondContact NH1-O 3.42Å; R522-W546 HydrophobicContact CB-CD2 3.96Å; R522-W546 HydrophobicContact CB-CE3 3.69Å; R522-W546 HydrophobicContact CB-CH2 4.19Å; R522-W546 HydrophobicContact CB-CZ2 4.42Å; R522-W546 HydrophobicContact CB-CZ3 3.82Å
523	G	95	Very high	95.9	Very high	24 Å²	24	36.6 Å²	36.6	25%	0.247	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.7	165.7	-177.8	0	0	0	0	0	112.7	E525 V526	G523-E525 PolarHBondContact O-N 3.2Å; G523-E525 VanDerWaalsContact O-N 3.17Å; G523-V526 WeakPolarHBondContact O-CB 3.18Å; G523-V526 PolarHBondContact O-N 2.97Å; G523-V526 VanDerWaalsContact O-N 3.1Å
524	D	93.3	Very high	95.9	Very high	66 Å²	66	41 Å²	41	35%	0.353	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.4	-177.4	-78.4	-20.8	0	0	0	113.8	N301 K304	N301-D524 PolarHBondContact ND2-O 3Å; K304-D524 HydrophobicContact CB-CB 4.3Å; K304-D524 HydrophobicContact CD-CB 4.17Å; K304-D524 WeakPolarHBondContact CE-OD2 3.29Å; K304-D524 HydrophobicContact CG-CB 3.81Å; K304-D524 IonicContact NZ-OD2 3.26Å; K304-D524 PolarHBondContact NZ-OD2 2.88Å
525	E	93	Very high	95.9	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.1	173.9	72.3	-75.3	158.7	0	0	114.4	K304 S474 T475 K498 G523	K304-E525 HydrophobicContact CB-CB 4.48Å; S474-E525 CarbonylContact C-O 3Å; S474-E525 WeakPolarHBondContact O-CG 3.41Å; T475-E525 WeakPolarHBondContact CB-O 3.18Å; T475-E525 PolarHBondContact OG1-O 2.82Å; K498-E525 WeakPolarHBondContact CD-OE1 3.42Å; K498-E525 WeakPolarHBondContact CE-OE1 3.47Å; K498-E525 WeakPolarHBondContact CG-OE1 3.4Å; K498-E525 IonicContact NZ-OE1 3.87Å; K498-E525 PolarHBondContact NZ-OE1 2.91Å; K498-E525 IonicContact NZ-OE2 3.91Å; K498-E525 PolarHBondContact NZ-OE2 3.18Å; G523-E525 PolarHBondContact O-N 3.2Å; G523-E525 VanDerWaalsContact O-N 3.17Å
526	V	96.7	Very high	95.7	Very high	17 Å²	17	43.6 Å²	43.6	10%	0.103	21%	0.211	C	C	.	.	S	Bend	trans	-67.5	136.4	175.3	172.3	0	0	0	0	109.6	N301 I521 G523 L547	N301-V526 PolarHBondContact ND2-O 3.23Å; I521-V526 HydrophobicContact CG2-CG2 4.1Å; G523-V526 WeakPolarHBondContact O-CB 3.18Å; G523-V526 PolarHBondContact O-N 2.97Å; G523-V526 VanDerWaalsContact O-N 3.1Å; V526-L547 HydrophobicContact CG1-CB 3.8Å; V526-L547 HydrophobicContact CG1-CD2 4.21Å; V526-L547 HydrophobicContact CG1-CG 4.48Å; V526-L547 HydrophobicContact CG2-CB 4.26Å; V526-L547 HydrophobicContact CG2-CD2 4.38Å
527	T	97.5	Very high	95.6	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	21%	0.205	C	C	.	.			trans	-56.2	144.5	176	178.6	0	0	0	0	111.2	V295 I296 E473 G529 I540 I541	V295-T527 HydrophobicContact CG1-CG2 4.1Å; I296-T527 WeakPolarHBondContact O-CB 3.19Å; I296-T527 PolarHBondContact O-OG1 3.11Å; E473-T527 HydrophobicContact CB-CG2 3.9Å; E473-T527 HydrophobicContact CG-CG2 4.24Å; E473-T527 WeakPolarHBondContact O-CB 3.31Å; E473-T527 VanDerWaalsContact O-CG2 3.29Å; E473-T527 WeakPolarHBondContact O-CG2 3.08Å; E473-T527 PolarHBondContact O-N 3.28Å; T527-G529 PolarHBondContact O-N 3.39Å; T527-G529 PolarHBondContact OG1-N 2.66Å; T527-G529 PolarHBondContact OG1-O 3.43Å; T527-I540 HydrophobicContact CG2-CD1 4.47Å; T527-I541 HydrophobicContact CG2-CD1 4.3Å; T527-I541 WeakPolarHBondContact O-CD1 3.45Å
528	P	96.5	Very high	95.6	Very high	72 Å²	72	45.3 Å²	45.3	47%	0.468	24%	0.235	S	C	.	.			trans	-69.8	-12.8	166	30.4	-35	0	0	0	113	I296 T298	I296-P528 HydrophobicContact CB-CG 3.86Å; I296-P528 HydrophobicContact CG2-CG 3.58Å; I296-P528 WeakPolarHBondContact O-CD 3.42Å; T298-P528 HydrophobicContact CG2-CG 4.37Å
529	G	96.7	Very high	95.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.01	26%	0.258	C	S	.	.			trans	146	-158	175.8	0	0	0	0	0	115	I296 T527 T537	I296-G529 PolarHBondContact N-O 3.26Å; T527-G529 PolarHBondContact O-N 3.39Å; T527-G529 PolarHBondContact OG1-N 2.66Å; T527-G529 PolarHBondContact OG1-O 3.43Å; G529-T537 VanDerWaalsContact CA-CG2 3.48Å
530	Y	96	Very high	95.3	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.039	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-99.3	138.3	174.4	-63.2	-61.3	0	0	0	111.2	K293 G294 V295 E473 K532 D533 R536 T537 I540	K293-Y530 HydrophobicContact CB-CD1 3.74Å; K293-Y530 HydrophobicContact CB-CE1 3.85Å; K293-Y530 HydrophobicContact CB-CG 4.31Å; K293-Y530 HydrophobicContact CD-CD2 4.48Å; K293-Y530 HydrophobicContact CD-CE1 4.22Å; K293-Y530 HydrophobicContact CD-CE2 4.17Å; K293-Y530 VanDerWaalsContact NZ-CZ 3.34Å; K293-Y530 PolarHBondContact NZ-OH 3.01Å; G294-Y530 CarbonylContact O-C 3.57Å; G294-Y530 WeakPolarHBondContact O-CA 3.28Å; V295-Y530 HydrophobicContact CG2-CD1 3.98Å; V295-Y530 HydrophobicContact CG2-CE1 3.67Å; E473-Y530 HydrophobicContact CG-CE1 4.26Å; E473-Y530 PolarHBondContact OE1-OH 3.01Å; Y530-K532 PolarHBondContact O-N 2.95Å; Y530-D533 PolarHBondContact O-N 3Å; Y530-R536 HydrophobicContact CD2-CB 3.7Å; Y530-R536 HydrophobicContact CE2-CB 4.04Å; Y530-T537 PolarHBondContact N-OG1 3.05Å; Y530-I540 HydrophobicContact CD2-CD1 4.23Å; Y530-I540 HydrophobicContact CE1-CD1 4.46Å; Y530-I540 HydrophobicContact CE2-CD1 3.49Å; Y530-I540 VanDerWaalsContact CE2-CD1 3.49Å; Y530-I540 HydrophobicContact CE2-CG1 3.87Å; Y530-I540 HydrophobicContact CE2-CG2 4.29Å
531	Y	96	Very high	95.2	Very high	39 Å²	39	53 Å²	53	15%	0.153	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	116.7	-178.9	-170.6	-103.9	0	0	0	111	I282 G294 I296 D533	I282-Y531 HydrophobicContact CD1-CD1 4.25Å; I282-Y531 HydrophobicContact CD1-CD2 3.67Å; I282-Y531 HydrophobicContact CD1-CE1 4.22Å; I282-Y531 HydrophobicContact CD1-CE2 3.64Å; I282-Y531 HydrophobicContact CD1-CG 3.97Å; I282-Y531 HydrophobicContact CG1-CD2 4.28Å; I282-Y531 HydrophobicContact CG2-CG 4.12Å; G294-Y531 WeakPolarHBondContact O-CB 3.3Å; G294-Y531 PolarHBondContact O-N 3.39Å; I296-Y531 HydrophobicContact CD1-CD2 4.41Å; I296-Y531 HydrophobicContact CG1-CD2 4.29Å; Y531-D533 PolarHBondContact O-N 3.46Å
532	K	94.6	Very high	95.1	Very high	109 Å²	109	55 Å²	55	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	32.3	-177.6	-57.8	177.9	176.5	177.1	0	113.8	N197 E199 Y530	N197-K532 PolarHBondContact O-NZ 2.72Å; E199-K532 IonicContact OE1-NZ 3.93Å; E199-K532 IonicContact OE2-NZ 3.91Å; E199-K532 PolarHBondContact OE2-NZ 2.91Å; Y530-K532 PolarHBondContact O-N 2.95Å
533	D	94.1	Very high	95	Very high	35 Å²	35	60.7 Å²	60.7	19%	0.187	31%	0.309	C	S	.	.			trans	-141.1	70.9	179.3	-167.6	-14.4	0	0	0	110.2	Y530 Y531 Q535 R536 T537	Y530-D533 PolarHBondContact O-N 3Å; Y531-D533 PolarHBondContact O-N 3.46Å; D533-Q535 VanDerWaalsContact C-N 3.29Å; D533-Q535 PolarHBondContact O-N 3.5Å; D533-R536 WeakPolarHBondContact OD1-CB 3.16Å; D533-R536 WeakPolarHBondContact OD1-CG 3.42Å; D533-R536 PolarHBondContact OD1-N 3.24Å; D533-R536 WeakPolarHBondContact OD2-CD 3.26Å; D533-R536 WeakPolarHBondContact OD2-CG 3.3Å; D533-R536 IonicContact OD2-CZ 3.92Å; D533-R536 IonicContact OD2-NE 3.98Å; D533-R536 IonicContact OD2-NH1 2.99Å; D533-R536 PolarHBondContact OD2-NH1 3.06Å; D533-T537 WeakPolarHBondContact O-CB 3.42Å; D533-T537 PolarHBondContact O-N 2.96Å; D533-T537 PolarHBondContact O-OG1 3.2Å
534	E	95.1	Very high	95	Very high	173 Å²	173	63.7 Å²	63.7	81%	0.808	32%	0.32	S	S	*	.	H	α-helix	trans	-62.7	-35.9	-179.8	-68.1	178.5	-175.7	0	0	112	T537 A538	E534-T537 WeakPolarHBondContact O-CB 3.38Å; E534-T537 PolarHBondContact O-N 2.91Å; E534-A538 PolarHBondContact O-N 3.34Å
535	Q	94	Very high	95.1	Very high	149 Å²	149	62.1 Å²	62.1	70%	0.696	32%	0.318	S	S	*	.	H	α-helix	trans	-60.1	-54	178.9	-177.5	180	-1	0	0	110.9	D533 T537 A538 E539	D533-Q535 VanDerWaalsContact C-N 3.29Å; D533-Q535 PolarHBondContact O-N 3.5Å; Q535-T537 PolarHBondContact O-N 2.91Å; Q535-A538 PolarHBondContact O-N 3.38Å; Q535-E539 PolarHBondContact O-N 2.9Å
536	R	91	Very high	95.3	Very high	62 Å²	62	62 Å²	62	23%	0.234	32%	0.318	C	S	.	.	H	α-helix	trans	-71.2	-21	178	-66.2	-166.7	-174.4	137.5	-9.5	113.1	Y530 D533 E539	Y530-R536 HydrophobicContact CD2-CB 3.7Å; Y530-R536 HydrophobicContact CE2-CB 4.04Å; D533-R536 WeakPolarHBondContact OD1-CB 3.16Å; D533-R536 WeakPolarHBondContact OD1-CG 3.42Å; D533-R536 PolarHBondContact OD1-N 3.24Å; D533-R536 WeakPolarHBondContact OD2-CD 3.26Å; D533-R536 WeakPolarHBondContact OD2-CG 3.3Å; D533-R536 IonicContact OD2-CZ 3.92Å; D533-R536 IonicContact OD2-NE 3.98Å; D533-R536 IonicContact OD2-NH1 2.99Å; D533-R536 PolarHBondContact OD2-NH1 3.06Å; R536-E539 PolarHBondContact O-N 2.85Å
537	T	94.8	Very high	95.4	Very high	24 Å²	24	61.3 Å²	61.3	15%	0.147	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-48.3	172	-61.8	0	0	0	0	110.3	G529 Y530 D533 E534 Q535 E539 I540 I541	G529-T537 VanDerWaalsContact CA-CG2 3.48Å; Y530-T537 PolarHBondContact N-OG1 3.05Å; D533-T537 WeakPolarHBondContact O-CB 3.42Å; D533-T537 PolarHBondContact O-N 2.96Å; D533-T537 PolarHBondContact O-OG1 3.2Å; E534-T537 WeakPolarHBondContact O-CB 3.38Å; E534-T537 PolarHBondContact O-N 2.91Å; Q535-T537 PolarHBondContact O-N 2.91Å; T537-E539 PolarHBondContact O-N 3.26Å; T537-I540 WeakPolarHBondContact O-CG1 3.4Å; T537-I540 PolarHBondContact O-N 2.93Å; T537-I540 VanDerWaalsContact O-N 3.1Å; T537-I541 HydrophobicContact CG2-CD1 4.3Å; T537-I541 PolarHBondContact O-N 3.1Å
538	A	95.6	Very high	95.3	Very high	75 Å²	75	63.4 Å²	63.4	62%	0.62	32%	0.323	S	S	*	.	H	α-helix	trans	-65.1	-20.9	177	0	0	0	0	0	113.5	E534 Q535	E534-A538 PolarHBondContact O-N 3.34Å; Q535-A538 PolarHBondContact O-N 3.38Å
539	E	93.2	Very high	95.3	Very high	121 Å²	121	60.3 Å²	60.3	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-72.8	-26	173.3	-70.6	173.8	-168.8	0	0	113.6	Q535 R536 T537	Q535-E539 PolarHBondContact O-N 2.9Å; R536-E539 PolarHBondContact O-N 2.85Å; T537-E539 PolarHBondContact O-N 3.26Å
540	I	94.6	Very high	95.1	Very high	22 Å²	22	61.2 Å²	61.2	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-111.7	-22.9	-175.1	61.6	154.2	0	0	0	113.6	E473 T527 Y530 T537 L547 H548	E473-I540 HydrophobicContact CG-CD1 3.94Å; T527-I540 HydrophobicContact CG2-CD1 4.47Å; Y530-I540 HydrophobicContact CD2-CD1 4.23Å; Y530-I540 HydrophobicContact CE1-CD1 4.46Å; Y530-I540 HydrophobicContact CE2-CD1 3.49Å; Y530-I540 VanDerWaalsContact CE2-CD1 3.49Å; Y530-I540 HydrophobicContact CE2-CG1 3.87Å; Y530-I540 HydrophobicContact CE2-CG2 4.29Å; T537-I540 WeakPolarHBondContact O-CG1 3.4Å; T537-I540 PolarHBondContact O-N 2.93Å; T537-I540 VanDerWaalsContact O-N 3.1Å; I540-L547 HydrophobicContact CB-CD1 4.14Å; I540-L547 HydrophobicContact CD1-CD1 3.86Å; I540-L547 HydrophobicContact CG1-CD1 4.35Å; I540-L547 CarbonylContact O-C 3.55Å; I540-L547 VanDerWaalsContact O-CA 3.29Å; I540-L547 WeakPolarHBondContact O-CA 3.27Å; I540-H548 PolarHBondContact O-N 3.38Å
541	I	96.9	Very high	95	Very high	35 Å²	35	61.1 Å²	61.1	18%	0.179	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-115.1	115	177.2	-63.1	167.7	0	0	0	107.8	T527 T537 W546 L547	T527-I541 HydrophobicContact CG2-CD1 4.3Å; T527-I541 WeakPolarHBondContact O-CD1 3.45Å; T537-I541 HydrophobicContact CG2-CD1 4.3Å; T537-I541 PolarHBondContact O-N 3.1Å; I541-W546 WeakPolarHBondContact CA-O 3.45Å; I541-L547 HydrophobicContact CG1-CD1 4.36Å
542	D	96.1	Very high	94.9	Very high	42 Å²	42	59.2 Å²	59.2	23%	0.225	31%	0.305	C	S	.	.			trans	-76.5	172.5	177.8	78	11.7	0	0	0	112.4	D544 G545 W546 H548	D542-D544 PolarHBondContact O-N 3.38Å; D542-D544 VanDerWaalsContact O-N 3.16Å; D542-D544 WeakPolarHBondContact OD1-CA 3.49Å; D542-D544 PolarHBondContact OD1-N 2.89Å; D542-G545 PolarHBondContact O-N 2.98Å; D542-G545 VanDerWaalsContact O-N 3.08Å; D542-G545 PolarHBondContact OD1-N 3.37Å; D542-W546 PolarHBondContact N-O 2.82Å; D542-W546 PolarHBondContact OD1-N 3.45Å; D542-W546 WeakPolarHBondContact OD2-CB 3.47Å; D542-H548 IonicContact OD2-NE2 2.66Å
543	K	95	Very high	94.9	Very high	195 Å²	195	54 Å²	54	85%	0.848	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.2	179	63.9	177.9	-176.5	175.2	0	114.4	G545	K543-G545 VanDerWaalsContact C-N 3.35Å
544	D	94.5	Very high	95	Very high	87 Å²	87	54.8 Å²	54.8	47%	0.465	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5.8	-178.1	-61.2	-46.1	0	0	0	111.4	R522 D542	R522-D544 PolarHBondContact NH1-O 3.42Å; D542-D544 PolarHBondContact O-N 3.38Å; D542-D544 VanDerWaalsContact O-N 3.16Å; D542-D544 WeakPolarHBondContact OD1-CA 3.49Å; D542-D544 PolarHBondContact OD1-N 2.89Å
545	G	94.9	Very high	95	Very high	32 Å²	32	47 Å²	47	33%	0.33	25%	0.248	S	C	.	.	S	Bend	trans	82.8	15.4	176.4	0	0	0	0	0	114.4	D542 K543	D542-G545 PolarHBondContact O-N 2.98Å; D542-G545 VanDerWaalsContact O-N 3.08Å; D542-G545 PolarHBondContact OD1-N 3.37Å; K543-G545 VanDerWaalsContact C-N 3.35Å
546	W	97.4	Very high	95	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.225	C	C	.	.			trans	-83.8	128	176.9	-65.6	94.5	0	0	0	111.6	I79 E499 K501 C520 R522 I541 D542 H548	I79-W546 HydrophobicContact CD1-CH2 4.12Å; I79-W546 HydrophobicContact CD1-CZ2 3.76Å; I79-W546 HydrophobicContact CG1-CH2 3.94Å; I79-W546 HydrophobicContact CG1-CZ2 3.98Å; I79-W546 HydrophobicContact CG2-CH2 4.24Å; E499-W546 HydrophobicContact CB-CH2 3.84Å; E499-W546 HydrophobicContact CB-CZ3 4.22Å; K501-W546 HydrophobicContact CB-CH2 4.22Å; K501-W546 HydrophobicContact CB-CZ3 4.34Å; K501-W546 HydrophobicContact CD-CD2 4.22Å; K501-W546 HydrophobicContact CD-CE3 4.42Å; K501-W546 HydrophobicContact CD-CH2 4.07Å; K501-W546 HydrophobicContact CD-CZ2 3.83Å; K501-W546 HydrophobicContact CD-CZ3 4.36Å; K501-W546 VanDerWaalsContact CE-CE2 3.43Å; K501-W546 HydrophobicContact CG-CD2 4.32Å; K501-W546 HydrophobicContact CG-CE3 4.04Å; K501-W546 HydrophobicContact CG-CH2 3.91Å; K501-W546 HydrophobicContact CG-CZ2 4.2Å; K501-W546 HydrophobicContact CG-CZ3 3.83Å; C520-W546 HydrophobicContact CB-CB 4.32Å; C520-W546 HydrophobicContact CB-CD2 4.45Å; C520-W546 HydrophobicContact CB-CE3 3.9Å; C520-W546 WeakPolarHBondContact O-CZ3 3.45Å; R522-W546 HydrophobicContact CB-CD2 3.96Å; R522-W546 HydrophobicContact CB-CE3 3.69Å; R522-W546 HydrophobicContact CB-CH2 4.19Å; R522-W546 HydrophobicContact CB-CZ2 4.42Å; R522-W546 HydrophobicContact CB-CZ3 3.82Å; I541-W546 WeakPolarHBondContact CA-O 3.45Å; D542-W546 PolarHBondContact N-O 2.82Å; D542-W546 PolarHBondContact OD1-N 3.45Å; D542-W546 WeakPolarHBondContact OD2-CB 3.47Å; W546-H548 PolarHBondContact O-N 3.08Å
547	L	98	Very high	95.1	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.6	165.7	175.7	65	0	0	0	110.1	E473 C520 I521 V526 I540 I541 T549	E473-L547 HydrophobicContact CB-CD1 3.91Å; E473-L547 HydrophobicContact CB-CD2 3.8Å; E473-L547 HydrophobicContact CB-CG 4.49Å; C520-L547 VanDerWaalsContact CA-O 3.26Å; C520-L547 WeakPolarHBondContact CA-O 3.4Å; I521-L547 PolarHBondContact N-O 3.3Å; I521-L547 WeakPolarHBondContact O-CB 3.49Å; I521-L547 PolarHBondContact O-N 2.8Å; V526-L547 HydrophobicContact CG1-CB 3.8Å; V526-L547 HydrophobicContact CG1-CD2 4.21Å; V526-L547 HydrophobicContact CG1-CG 4.48Å; V526-L547 HydrophobicContact CG2-CB 4.26Å; V526-L547 HydrophobicContact CG2-CD2 4.38Å; I540-L547 HydrophobicContact CB-CD1 4.14Å; I540-L547 HydrophobicContact CD1-CD1 3.86Å; I540-L547 HydrophobicContact CG1-CD1 4.35Å; I540-L547 CarbonylContact O-C 3.55Å; I540-L547 VanDerWaalsContact O-CA 3.29Å; I540-L547 WeakPolarHBondContact O-CA 3.27Å; I541-L547 HydrophobicContact CG1-CD1 4.36Å; L547-T549 PolarHBondContact O-N 2.89Å
548	H	97.1	Very high	95	Very high	47 Å²	47	46.3 Å²	46.3	22%	0.218	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	109.2	165.8	-72.4	-95.4	0	0	0	109.6	E518 I540 D542 W546 G550	E518-H548 IonicContact OE2-CE1 2.71Å; E518-H548 IonicContact OE2-CG 2.73Å; E518-H548 IonicContact OE2-ND1 3.51Å; E518-H548 PolarHBondContact OE2-ND1 3.13Å; I540-H548 PolarHBondContact O-N 3.38Å; D542-H548 IonicContact OD2-NE2 2.66Å; W546-H548 PolarHBondContact O-N 3.08Å; H548-G550 VanDerWaalsContact C-N 3.32Å; H548-G550 PolarHBondContact O-N 3.28Å
549	T	95.1	Very high	94.9	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-19.7	-171.5	66.6	0	0	0	0	113.4	Q471 I519 I521 L547 D551	Q471-T549 VanDerWaalsContact NE2-CB 3.35Å; Q471-T549 VanDerWaalsContact NE2-CG2 3.29Å; I519-T549 HydrophobicContact CB-CG2 4.33Å; I519-T549 HydrophobicContact CG2-CG2 4.14Å; I519-T549 WeakPolarHBondContact O-CB 3.25Å; I519-T549 WeakPolarHBondContact O-CG2 3.33Å; I519-T549 PolarHBondContact O-N 2.89Å; I519-T549 PolarHBondContact O-OG1 3.4Å; I521-T549 HydrophobicContact CD1-CG2 3.46Å; I521-T549 VanDerWaalsContact CD1-CG2 3.46Å; I521-T549 HydrophobicContact CG1-CG2 3.89Å; L547-T549 PolarHBondContact O-N 2.89Å; T549-D551 PolarHBondContact O-N 3.3Å; T549-D551 PolarHBondContact OG1-N 2.92Å; T549-D551 VanDerWaalsContact OG1-N 3.1Å
550	G	92.9	Very high	95	Very high	20 Å²	20	37 Å²	37	21%	0.206	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.4	13.5	-167.5	0	0	0	0	0	113.6	E518 H548 R566 K567	E518-G550 WeakPolarHBondContact OE1-CA 3.35Å; E518-G550 PolarHBondContact OE1-N 3.34Å; H548-G550 VanDerWaalsContact C-N 3.32Å; H548-G550 PolarHBondContact O-N 3.28Å; G550-R566 CarbonylContact O-C 3.5Å; G550-K567 VanDerWaalsContact O-CB 3.28Å; G550-K567 WeakPolarHBondContact O-CB 3.1Å; G550-K567 PolarHBondContact O-N 3.23Å
551	D	93.3	Very high	95	Very high	7 Å²	7	36 Å²	36	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137.7	173.3	-64.1	-44.6	0	0	0	110.1	Y469 E518 I519 T549 R566	Y469-D551 HydrophobicContact CE2-CB 4.42Å; Y469-D551 VanDerWaalsContact CE2-OD2 3.27Å; Y469-D551 WeakPolarHBondContact CE2-OD2 3.3Å; Y469-D551 PolarHBondContact OH-OD2 3.43Å; E518-D551 WeakPolarHBondContact CA-O 3.48Å; I519-D551 HydrophobicContact CD1-CB 4.17Å; I519-D551 PolarHBondContact N-O 3.03Å; T549-D551 PolarHBondContact O-N 3.3Å; T549-D551 PolarHBondContact OG1-N 2.92Å; T549-D551 VanDerWaalsContact OG1-N 3.1Å; D551-R566 WeakPolarHBondContact OD1-CD 3.07Å; D551-R566 WeakPolarHBondContact OD1-CG 3.5Å; D551-R566 IonicContact OD1-CZ 3.76Å; D551-R566 IonicContact OD1-NE 2.72Å; D551-R566 PolarHBondContact OD1-NE 2.88Å; D551-R566 IonicContact OD1-NH2 2.66Å; D551-R566 IonicContact OD2-NH2 2.74Å
552	I	94.1	Very high	94.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128	175.5	-55	-55	0	0	0	109.4	V505 L508 Y510 G517 E518 I564 D565 K567 I570	V505-I552 HydrophobicContact CB-CD1 4.44Å; V505-I552 HydrophobicContact CG2-CD1 3.78Å; L508-I552 HydrophobicContact CD1-CD1 4.3Å; L508-I552 HydrophobicContact CD1-CG1 4.3Å; Y510-I552 HydrophobicContact CD1-CG2 4.28Å; Y510-I552 HydrophobicContact CD2-CD1 4.37Å; Y510-I552 HydrophobicContact CD2-CG1 4.29Å; Y510-I552 HydrophobicContact CD2-CG2 3.75Å; Y510-I552 HydrophobicContact CE1-CG2 4.29Å; Y510-I552 HydrophobicContact CE2-CG1 4.27Å; Y510-I552 HydrophobicContact CE2-CG2 3.79Å; Y510-I552 HydrophobicContact CG-CG2 4.02Å; G517-I552 CarbonylContact O-C 3.55Å; G517-I552 WeakPolarHBondContact O-CA 3.43Å; E518-I552 HydrophobicContact CB-CD1 4.37Å; I552-I564 HydrophobicContact CB-CB 4.24Å; I552-I564 HydrophobicContact CG2-CB 4.08Å; I552-I564 HydrophobicContact CG2-CD1 3.9Å; I552-I564 HydrophobicContact CG2-CG1 4.26Å; I552-I564 PolarHBondContact O-N 2.93Å; I552-D565 PolarHBondContact N-O 3.47Å; I552-K567 HydrophobicContact CD1-CB 4.04Å; I552-K567 HydrophobicContact CD1-CG 4.38Å; I552-K567 HydrophobicContact CG1-CB 4.35Å; I552-I570 HydrophobicContact CB-CD1 4.32Å; I552-I570 HydrophobicContact CG1-CD1 3.73Å
553	G	95.1	Very high	94.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	163.3	178.6	0	0	0	0	0	113.2	K516 G517 K562	K516-G553 WeakPolarHBondContact CA-O 3.34Å; G517-G553 PolarHBondContact N-O 3.35Å; G517-G553 PolarHBondContact O-N 3.47Å; G553-K562 CarbonylContact C-O 3.56Å; G553-K562 VanDerWaalsContact CA-O 3.23Å; G553-K562 WeakPolarHBondContact CA-O 3.44Å
554	Q	95.2	Very high	94.1	Very high	50 Å²	50	30.6 Å²	30.6	23%	0.234	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.7	169.3	-178.7	179.4	13.4	0	0	110.5	D515 K516 K562 I564	D515-Q554 CarbonylContact O-C 3.49Å; D515-Q554 WeakPolarHBondContact O-CA 3.44Å; D515-Q554 WeakPolarHBondContact O-CG 3.33Å; K516-Q554 HydrophobicContact CG-CB 4.1Å; K516-Q554 HydrophobicContact CG-CG 3.85Å; Q554-K562 HydrophobicContact CB-CB 4.44Å; Q554-K562 PolarHBondContact N-O 2.94Å; Q554-K562 PolarHBondContact O-N 3.29Å; Q554-I564 HydrophobicContact CB-CD1 4.26Å; Q554-I564 HydrophobicContact CB-CG1 4.47Å
555	W	96.4	Very high	93.4	Very high	9 Å²	9	26.7 Å²	26.7	3%	0.034	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.3	165.8	-61.6	116.6	0	0	0	110.4	R80 I494 V500 L502 D515 L561	R80-W555 HydrophobicContact CB-CH2 4.23Å; R80-W555 HydrophobicContact CB-CZ2 4.07Å; R80-W555 HydrophobicContact CG-CZ2 4.42Å; I494-W555 HydrophobicContact CD1-CH2 3.66Å; I494-W555 HydrophobicContact CD1-CZ2 4.49Å; I494-W555 HydrophobicContact CD1-CZ3 4.27Å; I494-W555 HydrophobicContact CG1-CH2 3.96Å; I494-W555 HydrophobicContact CG1-CZ3 4.32Å; V500-W555 HydrophobicContact CB-CH2 4.19Å; V500-W555 HydrophobicContact CB-CZ2 4.15Å; V500-W555 HydrophobicContact CG1-CH2 4.02Å; V500-W555 HydrophobicContact CG1-CZ2 3.8Å; L502-W555 HydrophobicContact CD1-CG 4.15Å; D515-W555 HydrophobicContact CB-CB 3.95Å; D515-W555 PolarHBondContact O-N 2.9Å; W555-L561 HydrophobicContact CD2-CD1 4.29Å; W555-L561 HydrophobicContact CE3-CB 4.13Å; W555-L561 HydrophobicContact CE3-CD1 4.1Å; W555-L561 HydrophobicContact CH2-CB 4.19Å; W555-L561 HydrophobicContact CH2-CD1 4.04Å; W555-L561 HydrophobicContact CH2-CG 4.5Å; W555-L561 HydrophobicContact CZ2-CD1 4.26Å; W555-L561 HydrophobicContact CZ3-CB 3.63Å; W555-L561 HydrophobicContact CZ3-CD1 3.99Å; W555-L561 HydrophobicContact CZ3-CG 4.33Å
556	L	94.7	Very high	92.9	Very high	41 Å²	41	29.6 Å²	29.6	22%	0.215	16%	0.156	C	C	.	.			trans	-82	160.7	169.7	-60.9	-173.7	0	0	0	110.5	H490 N558 G559 A560 K562	H490-L556 HydrophobicContact CB-CD1 3.76Å; L556-N558 WeakPolarHBondContact CB-OD1 3.38Å; L556-N558 PolarHBondContact O-N 3.37Å; L556-G559 WeakPolarHBondContact O-CA 3.39Å; L556-G559 PolarHBondContact O-N 3.47Å; L556-A560 HydrophobicContact CB-CB 4.38Å; L556-A560 HydrophobicContact CD1-CB 4.29Å; L556-A560 PolarHBondContact N-O 3.5Å; L556-K562 HydrophobicContact CD2-CB 4.29Å; L556-K562 HydrophobicContact CD2-CD 4.39Å; L556-K562 HydrophobicContact CG-CB 4.31Å
557	P	93	Very high	92.1	Very high	144 Å²	144	32.3 Å²	32.3	94%	0.935	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.8	-178.5	-28.8	36.1	0	0	0	114.9	G559	P557-G559 VanDerWaalsContact C-N 3.28Å
558	N	91.9	Very high	91.3	Very high	36 Å²	36	39.3 Å²	39.3	19%	0.193	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	4.7	175.4	69.6	-19.6	0	0	0	113.7	P66 S67 C68 Q69 L556 A560	P66-N558 PolarHBondContact O-ND2 2.93Å; S67-N558 WeakPolarHBondContact O-CA 3.44Å; C68-N558 CarbonylContact C-O 3.54Å; C68-N558 VanDerWaalsContact CA-O 3.31Å; C68-N558 WeakPolarHBondContact CA-O 3.43Å; Q69-N558 PolarHBondContact N-O 3.38Å; Q69-N558 PolarHBondContact NE2-ND2 3.45Å; L556-N558 WeakPolarHBondContact CB-OD1 3.38Å; L556-N558 PolarHBondContact O-N 3.37Å; N558-A560 WeakPolarHBondContact OD1-CB 3.03Å; N558-A560 PolarHBondContact OD1-N 3.29Å; N558-A560 VanDerWaalsContact OD1-N 3.16Å
559	G	93.9	Very high	90.4	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	80.1	7.6	-177.7	0	0	0	0	0	115.2	S70 L556 P557	S70-G559 WeakPolarHBondContact CB-O 3.24Å; S70-G559 WeakPolarHBondContact OG-CA 3.26Å; S70-G559 PolarHBondContact OG-O 2.88Å; L556-G559 WeakPolarHBondContact O-CA 3.39Å; L556-G559 PolarHBondContact O-N 3.47Å; P557-G559 VanDerWaalsContact C-N 3.28Å
560	A	94.2	Very high	89.4	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.			trans	-72.7	142.3	173.2	0	0	0	0	0	110.5	Q69 G492 L556 N558	Q69-A560 HydrophobicContact CB-CB 4.13Å; Q69-A560 HydrophobicContact CG-CB 4.24Å; G492-A560 WeakPolarHBondContact O-CA 3.46Å; L556-A560 HydrophobicContact CB-CB 4.38Å; L556-A560 HydrophobicContact CD1-CB 4.29Å; L556-A560 PolarHBondContact N-O 3.5Å; N558-A560 WeakPolarHBondContact OD1-CB 3.03Å; N558-A560 PolarHBondContact OD1-N 3.29Å; N558-A560 VanDerWaalsContact OD1-N 3.16Å
561	L	95.2	Very high	88.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131	173.7	-174	62.4	0	0	0	110	Y469 H490 V491 G492 I519 W555 I563	Y469-L561 HydrophobicContact CD1-CD2 4.4Å; H490-L561 WeakPolarHBondContact CB-O 3.33Å; V491-L561 HydrophobicContact CG2-CB 3.98Å; V491-L561 HydrophobicContact CG2-CD2 4.23Å; V491-L561 HydrophobicContact CG2-CG 4.1Å; V491-L561 WeakPolarHBondContact CG2-O 3.39Å; V491-L561 PolarHBondContact N-O 3.45Å; G492-L561 PolarHBondContact N-O 2.93Å; G492-L561 PolarHBondContact O-N 3.45Å; I519-L561 HydrophobicContact CD1-CD1 4.39Å; I519-L561 HydrophobicContact CD1-CD2 4Å; I519-L561 HydrophobicContact CG1-CD1 4.37Å; I519-L561 HydrophobicContact CG1-CD2 4.42Å; W555-L561 HydrophobicContact CD2-CD1 4.29Å; W555-L561 HydrophobicContact CE3-CB 4.13Å; W555-L561 HydrophobicContact CE3-CD1 4.1Å; W555-L561 HydrophobicContact CH2-CB 4.19Å; W555-L561 HydrophobicContact CH2-CD1 4.04Å; W555-L561 HydrophobicContact CH2-CG 4.5Å; W555-L561 HydrophobicContact CZ2-CD1 4.26Å; W555-L561 HydrophobicContact CZ3-CB 3.63Å; W555-L561 HydrophobicContact CZ3-CD1 3.99Å; W555-L561 HydrophobicContact CZ3-CG 4.33Å; L561-I563 HydrophobicContact CD2-CD1 4.13Å; L561-I563 HydrophobicContact CG-CD1 4.28Å
562	K	92.3	Very high	87.8	Confident	80 Å²	80	44 Å²	44	35%	0.348	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.8	168.1	171.8	176	179.8	-167.3	0	109.3	G489 H490 G553 Q554 L556	G489-K562 WeakPolarHBondContact O-CD 3.22Å; G489-K562 WeakPolarHBondContact O-CG 3.44Å; H490-K562 HydrophobicContact CB-CB 4.14Å; G553-K562 CarbonylContact C-O 3.56Å; G553-K562 VanDerWaalsContact CA-O 3.23Å; G553-K562 WeakPolarHBondContact CA-O 3.44Å; Q554-K562 HydrophobicContact CB-CB 4.44Å; Q554-K562 PolarHBondContact N-O 2.94Å; Q554-K562 PolarHBondContact O-N 3.29Å; L556-K562 HydrophobicContact CD2-CB 4.29Å; L556-K562 HydrophobicContact CD2-CD 4.39Å; L556-K562 HydrophobicContact CG-CB 4.31Å
563	I	90.4	Very high	87.1	Confident	41 Å²	41	44.1 Å²	44.1	21%	0.21	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133	172	-51.1	-55.7	0	0	0	108.5	Y469 V491 I519 L561	Y469-I563 HydrophobicContact CD1-CD1 4.11Å; Y469-I563 HydrophobicContact CD2-CD1 3.57Å; Y469-I563 HydrophobicContact CD2-CG1 3.8Å; Y469-I563 HydrophobicContact CE1-CD1 4.31Å; Y469-I563 HydrophobicContact CE2-CD1 3.79Å; Y469-I563 HydrophobicContact CE2-CG1 4.33Å; Y469-I563 HydrophobicContact CG-CD1 3.75Å; Y469-I563 HydrophobicContact CG-CG1 4.18Å; V491-I563 HydrophobicContact CG1-CG1 3.84Å; V491-I563 HydrophobicContact CG2-CD1 3.96Å; V491-I563 HydrophobicContact CG2-CG1 3.88Å; I519-I563 HydrophobicContact CD1-CD1 3.44Å; I519-I563 VanDerWaalsContact CD1-CD1 3.44Å; L561-I563 HydrophobicContact CD2-CD1 4.13Å; L561-I563 HydrophobicContact CG-CD1 4.28Å
564	I	86.4	Confident	86.2	Confident	38 Å²	38	47.3 Å²	47.3	20%	0.195	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-66.5	175.2	-57.4	-171.6	0	0	0	109.3	Y510 I552 Q554	Y510-I564 HydrophobicContact CE1-CD1 3.89Å; I552-I564 HydrophobicContact CB-CB 4.24Å; I552-I564 HydrophobicContact CG2-CB 4.08Å; I552-I564 HydrophobicContact CG2-CD1 3.9Å; I552-I564 HydrophobicContact CG2-CG1 4.26Å; I552-I564 PolarHBondContact O-N 2.93Å; Q554-I564 HydrophobicContact CB-CD1 4.26Å; Q554-I564 HydrophobicContact CB-CG1 4.47Å
565	D	80.2	Confident	85.1	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.027	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	-179.4	176.7	-149	-40.4	0	0	0	109.5	I552 I570 A580 P581 E582	I552-D565 PolarHBondContact N-O 3.47Å; D565-I570 HydrophobicContact CB-CD1 3.99Å; D565-I570 HydrophobicContact CB-CG1 3.7Å; D565-A580 HydrophobicContact CB-CB 3.72Å; D565-A580 WeakPolarHBondContact OD2-CA 3.44Å; D565-A580 WeakPolarHBondContact OD2-CB 3.43Å; D565-P581 VanDerWaalsContact OD2-CD 3.25Å; D565-P581 WeakPolarHBondContact OD2-CD 3.34Å; D565-E582 PolarHBondContact OD2-N 3.05Å
566	R	83.2	Confident	83.6	Confident	93 Å²	93	50.3 Å²	50.3	35%	0.351	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.4	170	-71	-107.2	162.5	158.3	-8.8	110.5	G550 D551 K568 H569 I570	G550-R566 CarbonylContact O-C 3.5Å; D551-R566 WeakPolarHBondContact OD1-CD 3.07Å; D551-R566 WeakPolarHBondContact OD1-CG 3.5Å; D551-R566 IonicContact OD1-CZ 3.76Å; D551-R566 IonicContact OD1-NE 2.72Å; D551-R566 PolarHBondContact OD1-NE 2.88Å; D551-R566 IonicContact OD1-NH2 2.66Å; D551-R566 IonicContact OD2-NH2 2.74Å; R566-K568 PolarHBondContact O-N 2.6Å; R566-H569 HydrophobicContact CB-CB 3.89Å; R566-H569 PolarHBondContact O-N 2.95Å; R566-I570 WeakPolarHBondContact O-CG1 3.31Å; R566-I570 PolarHBondContact O-N 2.87Å
567	K	82.2	Confident	82.5	Confident	56 Å²	56	53.6 Å²	53.6	24%	0.243	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-39	174	-178.5	174.3	176.8	167.8	0	112.4	V505 E507 L508 G550 I552	V505-K567 HydrophobicContact CG1-CD 4.16Å; V505-K567 HydrophobicContact CG1-CG 4.41Å; E507-K567 WeakPolarHBondContact OE1-CE 3.48Å; E507-K567 IonicContact OE1-NZ 3.69Å; E507-K567 PolarHBondContact OE1-NZ 2.81Å; L508-K567 HydrophobicContact CD1-CG 4.05Å; G550-K567 VanDerWaalsContact O-CB 3.28Å; G550-K567 WeakPolarHBondContact O-CB 3.1Å; G550-K567 PolarHBondContact O-N 3.23Å; I552-K567 HydrophobicContact CD1-CB 4.04Å; I552-K567 HydrophobicContact CD1-CG 4.38Å; I552-K567 HydrophobicContact CG1-CB 4.35Å
568	K	80.1	Confident	81.7	Confident	149 Å²	149	49.2 Å²	49.2	65%	0.648	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-17.1	179.2	-67	-176	178	177.3	0	115	S288 R566	S288-K568 WeakPolarHBondContact OG-CD 3.26Å; S288-K568 PolarHBondContact OG-NZ 2.92Å; R566-K568 PolarHBondContact O-N 2.6Å
569	H	77.6	Confident	81.3	Confident	50 Å²	50	47.7 Å²	47.7	23%	0.231	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-22.8	179.3	-63.5	171.4	0	0	0	112.4	R566 F571 P581 E582 R699	R566-H569 HydrophobicContact CB-CB 3.89Å; R566-H569 PolarHBondContact O-N 2.95Å; H569-F571 VanDerWaalsContact O-CD1 3.23Å; H569-F571 WeakPolarHBondContact O-CD1 3.4Å; H569-F571 PolarHBondContact O-N 3.44Å; H569-P581 HydrophobicContact CB-CG 4.32Å; H569-P581 WeakPolarHBondContact O-CD 3.23Å; H569-E582 IonicContact CE1-OE1 3.2Å; H569-E582 IonicContact ND1-OE1 3.02Å; H569-E582 PolarHBondContact ND1-OE1 3.16Å; H569-E582 VanDerWaalsContact ND1-OE1 3.07Å; H569-R699 WeakPolarHBondContact ND1-CD 3.25Å
570	I	74.4	Confident	80.8	Confident	13 Å²	13	48.1 Å²	48.1	7%	0.067	23%	0.231	C	C	.	.			trans	-64	122.7	171.3	-62.4	169.6	0	0	0	108	L508 Y510 I552 D565 R566 Y578 V579	L508-I570 HydrophobicContact CD1-CB 4.24Å; L508-I570 HydrophobicContact CD1-CD1 3.98Å; L508-I570 HydrophobicContact CD1-CG2 4.35Å; L508-I570 HydrophobicContact CD2-CB 4.44Å; L508-I570 HydrophobicContact CD2-CG2 4.01Å; Y510-I570 HydrophobicContact CE2-CD1 4.04Å; I552-I570 HydrophobicContact CB-CD1 4.32Å; I552-I570 HydrophobicContact CG1-CD1 3.73Å; D565-I570 HydrophobicContact CB-CD1 3.99Å; D565-I570 HydrophobicContact CB-CG1 3.7Å; R566-I570 WeakPolarHBondContact O-CG1 3.31Å; R566-I570 PolarHBondContact O-N 2.87Å; I570-Y578 HydrophobicContact CG2-CD1 3.97Å; I570-Y578 HydrophobicContact CG2-CG 4.36Å; I570-V579 WeakPolarHBondContact CA-O 3.39Å
571	F	77.9	Confident	80.6	Confident	29 Å²	29	48.1 Å²	48.1	13%	0.127	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.8	174.3	48.1	-103.2	0	0	0	110	H569 L573 Y578 V579 P581 G601 L608	H569-F571 VanDerWaalsContact O-CD1 3.23Å; H569-F571 WeakPolarHBondContact O-CD1 3.4Å; H569-F571 PolarHBondContact O-N 3.44Å; F571-L573 HydrophobicContact CD2-CD2 4.41Å; F571-L573 HydrophobicContact CE2-CD2 4.38Å; F571-Y578 WeakPolarHBondContact O-CA 3.3Å; F571-V579 HydrophobicContact CD2-CB 4.17Å; F571-V579 HydrophobicContact CE2-CB 3.65Å; F571-V579 HydrophobicContact CE2-CG1 3.9Å; F571-V579 HydrophobicContact CE2-CG2 4.46Å; F571-V579 HydrophobicContact CZ-CB 4.31Å; F571-V579 HydrophobicContact CZ-CG1 4.14Å; F571-V579 PolarHBondContact N-O 2.76Å; F571-V579 PolarHBondContact O-N 3.27Å; F571-P581 HydrophobicContact CD1-CG 4.39Å; F571-P581 HydrophobicContact CE1-CB 3.78Å; F571-P581 HydrophobicContact CE1-CG 3.65Å; F571-P581 HydrophobicContact CZ-CB 4.06Å; F571-P581 HydrophobicContact CZ-CG 4.32Å; F571-G601 WeakPolarHBondContact CD1-O 3.42Å; F571-G601 VanDerWaalsContact CE2-CA 3.44Å; F571-G601 WeakPolarHBondContact CG-O 3.45Å; F571-L608 HydrophobicContact CE2-CD2 3.41Å; F571-L608 VanDerWaalsContact CE2-CD2 3.41Å; F571-L608 HydrophobicContact CZ-CD2 3.79Å
572	K	76	Confident	80	Confident	89 Å²	89	50.2 Å²	50.2	39%	0.387	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	141	171.5	-160.2	175.7	-172.5	152.2	0	108.3	G576 E577 Y578 H602 S603	K572-G576 VanDerWaalsContact CE-O 3.28Å; K572-G576 WeakPolarHBondContact CE-O 3.23Å; K572-E577 CarbonylContact C-O 3.59Å; K572-E577 WeakPolarHBondContact CA-O 3.19Å; K572-Y578 HydrophobicContact CB-CD1 3.99Å; K572-Y578 HydrophobicContact CB-CE1 3.75Å; K572-Y578 HydrophobicContact CD-CE1 4.02Å; K572-Y578 HydrophobicContact CD-CE2 4.28Å; K572-Y578 WeakPolarHBondContact CD-OH 3.37Å; K572-Y578 HydrophobicContact CG-CD1 4.25Å; K572-Y578 HydrophobicContact CG-CE1 3.88Å; K572-Y578 HydrophobicContact CG-CE2 4.25Å; K572-Y578 PolarHBondContact NZ-OH 2.98Å; K572-Y578 VanDerWaalsContact NZ-OH 3.11Å; K572-H602 CarbonylContact O-C 3.41Å; K572-S603 WeakPolarHBondContact O-CA 3.47Å; K572-S603 PolarHBondContact O-N 3.29Å
573	L	78	Confident	79.4	Confident	2 Å²	2	50 Å²	50	1%	0.01	24%	0.243	C	C	.	.			trans	-90.5	169.2	164.8	-65.4	178.5	0	0	0	110.2	F571 Q575 G576 E577 V579 Q605 L608 L671	F571-L573 HydrophobicContact CD2-CD2 4.41Å; F571-L573 HydrophobicContact CE2-CD2 4.38Å; L573-Q575 VanDerWaalsContact CB-OE1 3.29Å; L573-Q575 PolarHBondContact O-N 2.89Å; L573-Q575 VanDerWaalsContact O-N 3.15Å; L573-G576 WeakPolarHBondContact O-CA 3.25Å; L573-G576 PolarHBondContact O-N 3.33Å; L573-E577 PolarHBondContact N-O 2.65Å; L573-V579 HydrophobicContact CD1-CG2 3.79Å; L573-V579 HydrophobicContact CG-CG2 4.01Å; L573-Q605 WeakPolarHBondContact CD2-O 3.25Å; L573-L608 HydrophobicContact CD1-CD2 4.39Å; L573-L608 HydrophobicContact CD2-CD2 3.88Å; L573-L671 HydrophobicContact CD1-CB 4.41Å
574	S	76.1	Confident	79.3	Confident	67 Å²	67	48 Å²	48	47%	0.469	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.8	-177.3	63.7	0	0	0	0	113.9	G576 S603 Q605 S606	S574-G576 PolarHBondContact O-N 2.74Å; S574-S603 WeakPolarHBondContact CA-O 3.46Å; S574-S603 PolarHBondContact N-O 2.99Å; S574-Q605 PolarHBondContact N-O 3.5Å; S574-Q605 PolarHBondContact OG-O 2.85Å; S574-S606 VanDerWaalsContact OG-CA 3.31Å; S574-S606 WeakPolarHBondContact OG-CA 3.26Å; S574-S606 WeakPolarHBondContact OG-CB 3.46Å; S574-S606 PolarHBondContact OG-N 3.39Å
575	Q	73.6	Confident	79.5	Confident	98 Å²	98	46.9 Å²	46.9	46%	0.458	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-6.3	173.7	-52.7	89.5	-10.5	0	0	113.5	L573 S606	L573-Q575 VanDerWaalsContact CB-OE1 3.29Å; L573-Q575 PolarHBondContact O-N 2.89Å; L573-Q575 VanDerWaalsContact O-N 3.15Å; Q575-S606 VanDerWaalsContact NE2-CA 3.34Å; Q575-S606 PolarHBondContact NE2-O 2.94Å
576	G	64.3	Low	79.5	Confident	24 Å²	24	48.6 Å²	48.6	25%	0.247	24%	0.236	C	C	.	.	S	Bend	trans	92.5	-2.7	179.3	0	0	0	0	0	115.4	K572 L573 S574 Y578	K572-G576 VanDerWaalsContact CE-O 3.28Å; K572-G576 WeakPolarHBondContact CE-O 3.23Å; L573-G576 WeakPolarHBondContact O-CA 3.25Å; L573-G576 PolarHBondContact O-N 3.33Å; S574-G576 PolarHBondContact O-N 2.74Å; G576-Y578 WeakPolarHBondContact O-CE2 3.47Å
577	E	72.1	Confident	79.6	Confident	110 Å²	110	44.4 Å²	44.4	51%	0.514	22%	0.221	S	C	.	.			trans	-76.9	142.3	176.7	-68.2	-62.7	148.3	0	0	111.7	K572 L573 L671	K572-E577 CarbonylContact C-O 3.59Å; K572-E577 WeakPolarHBondContact CA-O 3.19Å; L573-E577 PolarHBondContact N-O 2.65Å; E577-L671 HydrophobicContact CB-CD1 3.93Å; E577-L671 HydrophobicContact CG-CD1 3.61Å
578	Y	76.7	Confident	80	Confident	52 Å²	52	41.7 Å²	41.7	20%	0.204	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.8	-179.5	-67.3	-90.2	0	0	0	110.9	E507 L508 I570 F571 K572 G576	E507-Y578 WeakPolarHBondContact O-CE1 3.42Å; E507-Y578 PolarHBondContact O-OH 2.81Å; L508-Y578 HydrophobicContact CD2-CD1 3.49Å; L508-Y578 VanDerWaalsContact CD2-CD1 3.49Å; L508-Y578 HydrophobicContact CD2-CE1 3.4Å; L508-Y578 VanDerWaalsContact CD2-CE1 3.4Å; I570-Y578 HydrophobicContact CG2-CD1 3.97Å; I570-Y578 HydrophobicContact CG2-CG 4.36Å; F571-Y578 WeakPolarHBondContact O-CA 3.3Å; K572-Y578 HydrophobicContact CB-CD1 3.99Å; K572-Y578 HydrophobicContact CB-CE1 3.75Å; K572-Y578 HydrophobicContact CD-CE1 4.02Å; K572-Y578 HydrophobicContact CD-CE2 4.28Å; K572-Y578 WeakPolarHBondContact CD-OH 3.37Å; K572-Y578 HydrophobicContact CG-CD1 4.25Å; K572-Y578 HydrophobicContact CG-CE1 3.88Å; K572-Y578 HydrophobicContact CG-CE2 4.25Å; K572-Y578 PolarHBondContact NZ-OH 2.98Å; K572-Y578 VanDerWaalsContact NZ-OH 3.11Å; G576-Y578 WeakPolarHBondContact O-CE2 3.47Å
579	V	81.7	Confident	80.3	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.5	-173.8	179.2	0	0	0	0	110.8	I570 F571 L573 P581 I584 L608	I570-V579 WeakPolarHBondContact CA-O 3.39Å; F571-V579 HydrophobicContact CD2-CB 4.17Å; F571-V579 HydrophobicContact CE2-CB 3.65Å; F571-V579 HydrophobicContact CE2-CG1 3.9Å; F571-V579 HydrophobicContact CE2-CG2 4.46Å; F571-V579 HydrophobicContact CZ-CB 4.31Å; F571-V579 HydrophobicContact CZ-CG1 4.14Å; F571-V579 PolarHBondContact N-O 2.76Å; F571-V579 PolarHBondContact O-N 3.27Å; L573-V579 HydrophobicContact CD1-CG2 3.79Å; L573-V579 HydrophobicContact CG-CG2 4.01Å; V579-P581 WeakPolarHBondContact O-CD 3.29Å; V579-I584 HydrophobicContact CG1-CD1 3.29Å; V579-L608 HydrophobicContact CG1-CD1 3.88Å; V579-L608 HydrophobicContact CG1-CD2 4.18Å
580	A	84.5	Confident	80.3	Confident	12 Å²	12	38.7 Å²	38.7	10%	0.099	20%	0.198	C	C	.	.			trans	-99.6	95.1	177.2	0	0	0	0	0	110.4	D565 E582 N583 I584	D565-A580 HydrophobicContact CB-CB 3.72Å; D565-A580 WeakPolarHBondContact OD2-CA 3.44Å; D565-A580 WeakPolarHBondContact OD2-CB 3.43Å; A580-E582 VanDerWaalsContact C-N 3.34Å; A580-E582 PolarHBondContact O-N 2.9Å; A580-N583 HydrophobicContact CB-CB 4.22Å; A580-N583 PolarHBondContact O-N 2.66Å; A580-I584 PolarHBondContact O-N 3.42Å
581	P	89	Confident	80.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-34.2	-172.1	27	-37.2	0	0	0	113.7	D565 H569 F571 V579 N583 I584 E585 V599 R699	D565-P581 VanDerWaalsContact OD2-CD 3.25Å; D565-P581 WeakPolarHBondContact OD2-CD 3.34Å; H569-P581 HydrophobicContact CB-CG 4.32Å; H569-P581 WeakPolarHBondContact O-CD 3.23Å; F571-P581 HydrophobicContact CD1-CG 4.39Å; F571-P581 HydrophobicContact CE1-CB 3.78Å; F571-P581 HydrophobicContact CE1-CG 3.65Å; F571-P581 HydrophobicContact CZ-CB 4.06Å; F571-P581 HydrophobicContact CZ-CG 4.32Å; V579-P581 WeakPolarHBondContact O-CD 3.29Å; P581-N583 VanDerWaalsContact C-N 3.3Å; P581-N583 PolarHBondContact O-N 3.36Å; P581-I584 PolarHBondContact O-N 3.49Å; P581-E585 VanDerWaalsContact O-CG 3.31Å; P581-E585 WeakPolarHBondContact O-CG 3.39Å; P581-E585 PolarHBondContact O-N 3.14Å; P581-V599 HydrophobicContact CB-CB 4.47Å; P581-V599 HydrophobicContact CB-CG1 4.48Å; P581-R699 VanDerWaalsContact CB-NH2 3.29Å
582	E	83.3	Confident	81.2	Confident	44 Å²	44	40 Å²	40	21%	0.206	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-35.2	-178.1	-70.8	-172.5	-163	0	0	111.3	D565 H569 A580 I584 E585 N586	D565-E582 PolarHBondContact OD2-N 3.05Å; H569-E582 IonicContact CE1-OE1 3.2Å; H569-E582 IonicContact ND1-OE1 3.02Å; H569-E582 PolarHBondContact ND1-OE1 3.16Å; H569-E582 VanDerWaalsContact ND1-OE1 3.07Å; A580-E582 VanDerWaalsContact C-N 3.34Å; A580-E582 PolarHBondContact O-N 2.9Å; E582-I584 VanDerWaalsContact C-N 3.34Å; E582-E585 PolarHBondContact O-N 3.3Å; E582-N586 WeakPolarHBondContact O-CB 3.41Å; E582-N586 VanDerWaalsContact O-CG 3.22Å; E582-N586 PolarHBondContact O-N 2.95Å; E582-N586 PolarHBondContact O-ND2 3.34Å
583	N	80.5	Confident	81.9	Confident	74 Å²	74	36.9 Å²	36.9	40%	0.396	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-44.4	173.6	-178.1	49.3	0	0	0	111.2	A580 P581 N586 V587	A580-N583 HydrophobicContact CB-CB 4.22Å; A580-N583 PolarHBondContact O-N 2.66Å; P581-N583 VanDerWaalsContact C-N 3.3Å; P581-N583 PolarHBondContact O-N 3.36Å; N583-N586 PolarHBondContact O-N 2.96Å; N583-V587 WeakPolarHBondContact O-CG2 3.26Å; N583-V587 PolarHBondContact O-N 2.85Å; N583-V587 VanDerWaalsContact O-N 3.09Å
584	I	88.4	Confident	82.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.5	-46.7	179.1	-62.9	172.2	0	0	0	110.9	V579 A580 P581 E582 N586 V587 Y588 V599 L608 L668 E672	V579-I584 HydrophobicContact CG1-CD1 3.29Å; A580-I584 PolarHBondContact O-N 3.42Å; P581-I584 PolarHBondContact O-N 3.49Å; E582-I584 VanDerWaalsContact C-N 3.34Å; I584-N586 VanDerWaalsContact C-N 3.3Å; I584-N586 PolarHBondContact O-N 3.13Å; I584-V587 PolarHBondContact O-N 3.35Å; I584-V587 VanDerWaalsContact O-N 3.09Å; I584-Y588 HydrophobicContact CG2-CD2 3.51Å; I584-Y588 HydrophobicContact CG2-CE2 3.2Å; I584-Y588 PolarHBondContact O-N 3.32Å; I584-V599 HydrophobicContact CG2-CG1 4.35Å; I584-V599 HydrophobicContact CG2-CG2 3.93Å; I584-L608 HydrophobicContact CD1-CD1 3.47Å; I584-L608 VanDerWaalsContact CD1-CD1 3.47Å; I584-L668 HydrophobicContact CB-CD1 4.5Å; I584-L668 HydrophobicContact CG1-CD1 4.47Å; I584-L668 HydrophobicContact CG1-CD2 4.09Å; I584-L668 HydrophobicContact CG2-CD1 3.94Å; I584-E672 HydrophobicContact CD1-CB 3.84Å; I584-E672 HydrophobicContact CD1-CG 4.11Å; I584-E672 HydrophobicContact CG1-CB 4.17Å; I584-E672 HydrophobicContact CG1-CG 4.49Å
585	E	90.5	Very high	83.2	Confident	15 Å²	15	37.1 Å²	37.1	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-43.2	177.2	-72.4	169.6	-170.8	0	0	111.7	P581 E582 V587 Y588 T589 I597 V599 N697 R699	P581-E585 VanDerWaalsContact O-CG 3.31Å; P581-E585 WeakPolarHBondContact O-CG 3.39Å; P581-E585 PolarHBondContact O-N 3.14Å; E582-E585 PolarHBondContact O-N 3.3Å; E585-V587 VanDerWaalsContact C-N 3.32Å; E585-V587 PolarHBondContact O-N 3.44Å; E585-Y588 PolarHBondContact O-N 3.31Å; E585-T589 PolarHBondContact O-N 2.84Å; E585-T589 PolarHBondContact O-OG1 3.48Å; E585-I597 HydrophobicContact CB-CG2 4.07Å; E585-I597 HydrophobicContact CG-CG2 4.21Å; E585-V599 HydrophobicContact CG-CB 3.83Å; E585-V599 HydrophobicContact CG-CG2 3.57Å; E585-V599 PolarHBondContact OE1-N 3.42Å; E585-N697 PolarHBondContact OE2-ND2 2.58Å; E585-R699 IonicContact OE1-CZ 2.76Å; E585-R699 IonicContact OE1-NH1 2.76Å; E585-R699 PolarHBondContact OE1-NH1 3.04Å; E585-R699 IonicContact OE1-NH2 3.85Å; E585-R699 IonicContact OE2-NH1 2.78Å; E585-R699 PolarHBondContact OE2-NH1 3Å
586	N	80.3	Confident	84.1	Confident	40 Å²	40	32.8 Å²	32.8	21%	0.214	18%	0.177	C	C	.	.	H	α-helix	trans	-68.3	-27.1	177.4	-74	-39.9	0	0	0	113.6	E582 N583 I584 T589	E582-N586 WeakPolarHBondContact O-CB 3.41Å; E582-N586 VanDerWaalsContact O-CG 3.22Å; E582-N586 PolarHBondContact O-N 2.95Å; E582-N586 PolarHBondContact O-ND2 3.34Å; N583-N586 PolarHBondContact O-N 2.96Å; I584-N586 VanDerWaalsContact C-N 3.3Å; I584-N586 PolarHBondContact O-N 3.13Å; N586-T589 WeakPolarHBondContact CA-OG1 3.31Å; N586-T589 PolarHBondContact O-OG1 2.89Å
587	V	83.6	Confident	85.6	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-74.6	-47	171.4	170	0	0	0	0	110.3	N583 I584 E585 T589 R590 H666 L668	N583-V587 WeakPolarHBondContact O-CG2 3.26Å; N583-V587 PolarHBondContact O-N 2.85Å; N583-V587 VanDerWaalsContact O-N 3.09Å; I584-V587 PolarHBondContact O-N 3.35Å; I584-V587 VanDerWaalsContact O-N 3.09Å; E585-V587 VanDerWaalsContact C-N 3.32Å; E585-V587 PolarHBondContact O-N 3.44Å; V587-T589 PolarHBondContact O-N 3.35Å; V587-R590 VanDerWaalsContact O-CB 3.25Å; V587-R590 WeakPolarHBondContact O-CB 3.26Å; V587-R590 VanDerWaalsContact O-CG 3.25Å; V587-R590 WeakPolarHBondContact O-CG 3.35Å; V587-R590 PolarHBondContact O-N 3.32Å; V587-R590 VanDerWaalsContact O-N 3.12Å; V587-H666 HydrophobicContact CG1-CB 3.58Å; V587-L668 HydrophobicContact CB-CD1 4.12Å; V587-L668 HydrophobicContact CB-CD2 4.37Å; V587-L668 HydrophobicContact CB-CG 4.27Å; V587-L668 HydrophobicContact CG1-CD1 3.87Å; V587-L668 HydrophobicContact CG1-CG 3.94Å; V587-L668 HydrophobicContact CG2-CD2 4.12Å; V587-L668 HydrophobicContact CG2-CG 4.41Å
588	Y	90.7	Very high	86.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.3	-30.3	-177	-73.6	-34.2	0	0	0	114.5	I584 E585 R590 S591 I597 V599 L659 L668 Q673 V674	I584-Y588 HydrophobicContact CG2-CD2 3.51Å; I584-Y588 HydrophobicContact CG2-CE2 3.2Å; I584-Y588 PolarHBondContact O-N 3.32Å; E585-Y588 PolarHBondContact O-N 3.31Å; Y588-R590 PolarHBondContact O-N 3.25Å; Y588-R590 VanDerWaalsContact O-N 3.08Å; Y588-S591 WeakPolarHBondContact O-CB 3.47Å; Y588-S591 PolarHBondContact O-N 3.01Å; Y588-I597 HydrophobicContact CD2-CD1 3.67Å; Y588-I597 HydrophobicContact CG-CD1 4.07Å; Y588-V599 HydrophobicContact CD2-CG2 4.2Å; Y588-V599 HydrophobicContact CE2-CG2 4.44Å; Y588-L659 HydrophobicContact CD1-CB 4.24Å; Y588-L659 HydrophobicContact CD1-CD2 3.6Å; Y588-L659 HydrophobicContact CD2-CD2 4.29Å; Y588-L659 HydrophobicContact CE1-CB 4.16Å; Y588-L659 HydrophobicContact CE1-CD2 4.31Å; Y588-L659 WeakPolarHBondContact CE1-O 3.44Å; Y588-L659 HydrophobicContact CG-CD2 3.6Å; Y588-L668 HydrophobicContact CD1-CD1 4.35Å; Y588-L668 HydrophobicContact CE1-CD1 3.78Å; Y588-L668 HydrophobicContact CE2-CD1 4.34Å; Y588-Q673 VanDerWaalsContact OH-CA 3.3Å; Y588-Q673 WeakPolarHBondContact OH-CA 3.43Å; Y588-Q673 PolarHBondContact OH-OE1 3.18Å; Y588-V674 HydrophobicContact CE2-CB 4.32Å; Y588-V674 HydrophobicContact CE2-CG1 3.76Å; Y588-V674 HydrophobicContact CE2-CG2 3.77Å; Y588-V674 PolarHBondContact OH-N 3.37Å
589	T	87.5	Confident	87.6	Confident	58 Å²	58	24.4 Å²	24.4	36%	0.356	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.7	172.6	24.1	0	0	0	0	113.8	E585 N586 V587 S591 I594 I597	E585-T589 PolarHBondContact O-N 2.84Å; E585-T589 PolarHBondContact O-OG1 3.48Å; N586-T589 WeakPolarHBondContact CA-OG1 3.31Å; N586-T589 PolarHBondContact O-OG1 2.89Å; V587-T589 PolarHBondContact O-N 3.35Å; T589-S591 VanDerWaalsContact C-N 3.27Å; T589-I594 HydrophobicContact CG2-CG2 4.37Å; T589-I597 HydrophobicContact CG2-CG2 4.24Å
590	R	77.1	Confident	88.2	Confident	77 Å²	77	24.4 Å²	24.4	29%	0.291	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-18.7	169.9	-55.9	177.5	-164.5	-160.3	5.9	112.9	T450 V587 Y588 T662 H666	T450-R590 HydrophobicContact CG2-CG 4.07Å; V587-R590 VanDerWaalsContact O-CB 3.25Å; V587-R590 WeakPolarHBondContact O-CB 3.26Å; V587-R590 VanDerWaalsContact O-CG 3.25Å; V587-R590 WeakPolarHBondContact O-CG 3.35Å; V587-R590 PolarHBondContact O-N 3.32Å; V587-R590 VanDerWaalsContact O-N 3.12Å; Y588-R590 PolarHBondContact O-N 3.25Å; Y588-R590 VanDerWaalsContact O-N 3.08Å; R590-T662 HydrophobicContact CB-CG2 4.17Å; R590-H666 PolarHBondContact NH1-CD2 3.39Å
591	S	86.8	Confident	88.3	Confident	2 Å²	2	23.9 Å²	23.9	1%	0.014	13%	0.129	C	C	.	.	S	Bend	trans	-67.5	127.1	176.8	177.1	0	0	0	0	108.6	Y588 T589 W593 I594 T662	Y588-S591 WeakPolarHBondContact O-CB 3.47Å; Y588-S591 PolarHBondContact O-N 3.01Å; T589-S591 VanDerWaalsContact C-N 3.27Å; S591-W593 PolarHBondContact O-N 3.06Å; S591-W593 PolarHBondContact OG-N 2.96Å; S591-I594 PolarHBondContact O-N 3.37Å; S591-T662 WeakPolarHBondContact CB-OG1 3.41Å
592	P	84.9	Confident	88	Confident	68 Å²	68	24.8 Å²	24.8	44%	0.442	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-1	-179.1	32.8	-38.5	0	0	0	113	M618	P592-M618 HydrophobicContact CB-CE 3.65Å; P592-M618 HydrophobicContact CG-CE 4.14Å
593	W	90.3	Very high	87.6	Confident	24 Å²	24	26.8 Å²	26.8	9%	0.091	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-11.7	175	-61.2	93	0	0	0	113.3	S591 P614 E615 M618 W622 H654 Q658	S591-W593 PolarHBondContact O-N 3.06Å; S591-W593 PolarHBondContact OG-N 2.96Å; W593-P614 CarbonylContact O-C 3.56Å; W593-P614 VanDerWaalsContact O-CA 3.3Å; W593-P614 WeakPolarHBondContact O-CA 3.26Å; W593-E615 PolarHBondContact O-N 3.16Å; W593-M618 HydrophobicContact CD2-CG 4.03Å; W593-M618 HydrophobicContact CE3-CB 4.48Å; W593-M618 HydrophobicContact CE3-CG 3.82Å; W593-M618 HydrophobicContact CH2-CG 4.19Å; W593-M618 HydrophobicContact CZ2-CG 4.37Å; W593-M618 HydrophobicContact CZ3-CG 3.91Å; W593-W622 HydrophobicContact CH2-CB 3.52Å; W593-W622 AromaticContact CH2-CD1 3.9Å; W593-W622 HydrophobicContact CH2-CD2 4.14Å; W593-W622 AromaticContact CH2-CG 3.52Å; W593-W622 HydrophobicContact CH2-CG 3.52Å; W593-W622 HydrophobicContact CZ3-CB 3.73Å; W593-W622 HydrophobicContact CZ3-CD2 4.32Å; W593-W622 AromaticContact CZ3-CG 3.96Å; W593-W622 HydrophobicContact CZ3-CG 3.96Å; W593-H654 AromaticContact CE2-NE2 3.67Å; W593-H654 AromaticContact CH2-CD2 3.66Å; W593-H654 AromaticContact CH2-NE2 3.11Å; W593-H654 WeakPolarHBondContact CH2-NE2 3.48Å; W593-H654 AromaticContact CZ2-CD2 3.91Å; W593-H654 AromaticContact CZ2-NE2 3.08Å; W593-H654 WeakPolarHBondContact CZ2-NE2 3.38Å; W593-H654 AromaticContact CZ3-CD2 3.8Å; W593-H654 AromaticContact CZ3-NE2 3.76Å; W593-Q658 HydrophobicContact CD2-CG 4.23Å; W593-Q658 HydrophobicContact CG-CB 4.12Å; W593-Q658 HydrophobicContact CG-CG 4.15Å; W593-Q658 HydrophobicContact CZ2-CG 4.38Å; W593-Q658 VanDerWaalsContact NE1-CG 3.34Å
594	I	91	Very high	87.4	Confident	14 Å²	14	29 Å²	29	7%	0.072	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.4	-167.3	-52.7	-63.9	0	0	0	109.4	T589 S591 I597 V612 I655 L659	T589-I594 HydrophobicContact CG2-CG2 4.37Å; S591-I594 PolarHBondContact O-N 3.37Å; I594-I597 HydrophobicContact CG2-CB 3.97Å; I594-I597 HydrophobicContact CG2-CG2 4.29Å; I594-V612 HydrophobicContact CD1-CG1 3.39Å; I594-V612 HydrophobicContact CD1-CG2 4.47Å; I594-I655 HydrophobicContact CD1-CG2 3.93Å; I594-L659 HydrophobicContact CD1-CD1 4.18Å; I594-L659 HydrophobicContact CD1-CD2 3.65Å; I594-L659 HydrophobicContact CD1-CG 3.99Å; I594-L659 HydrophobicContact CG1-CD2 3.67Å; I594-L659 HydrophobicContact CG1-CG 4.44Å
595	S	90.4	Very high	87.3	Confident	59 Å²	59	30.6 Å²	30.6	41%	0.413	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-47.6	169.3	179.9	0	0	0	0	110.7	V613	S595-V613 WeakPolarHBondContact CA-O 3.46Å; S595-V613 WeakPolarHBondContact CB-O 3.17Å; S595-V613 PolarHBondContact N-O 2.85Å
596	Q	93	Very high	87	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.2	175.2	-58.5	172.3	-66.8	0	0	110.1	V613 P683 F684	Q596-V613 HydrophobicContact CB-CB 3.95Å; Q596-V613 HydrophobicContact CB-CG2 3.95Å; Q596-V613 PolarHBondContact N-O 3.26Å; Q596-V613 PolarHBondContact O-N 3.45Å; Q596-P683 VanDerWaalsContact OE1-CB 3.27Å; Q596-F684 HydrophobicContact CB-CD2 3.95Å; Q596-F684 HydrophobicContact CB-CE2 4.01Å; Q596-F684 PolarHBondContact NE2-O 2.98Å
597	I	95.3	Very high	87.5	Confident	5 Å²	5	31.5 Å²	31.5	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	142.7	177	-170.6	166.7	0	0	0	110.1	E585 Y588 T589 I594 V599 A610 V611 V612 L659 N697	E585-I597 HydrophobicContact CB-CG2 4.07Å; E585-I597 HydrophobicContact CG-CG2 4.21Å; Y588-I597 HydrophobicContact CD2-CD1 3.67Å; Y588-I597 HydrophobicContact CG-CD1 4.07Å; T589-I597 HydrophobicContact CG2-CG2 4.24Å; I594-I597 HydrophobicContact CG2-CB 3.97Å; I594-I597 HydrophobicContact CG2-CG2 4.29Å; I597-V599 HydrophobicContact CD1-CG2 4.23Å; I597-V599 HydrophobicContact CG1-CG2 4.24Å; I597-A610 HydrophobicContact CD1-CB 3.96Å; I597-A610 HydrophobicContact CG1-CB 3.96Å; I597-V611 CarbonylContact C-O 3.56Å; I597-V611 WeakPolarHBondContact CA-O 3.26Å; I597-V612 HydrophobicContact CD1-CG2 3.91Å; I597-V612 HydrophobicContact CG1-CG2 3.95Å; I597-L659 HydrophobicContact CD1-CD1 4.4Å; I597-L659 HydrophobicContact CD1-CD2 4.15Å; I597-N697 PolarHBondContact O-ND2 3.34Å
598	Y	95.8	Very high	88	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	116.7	168.2	168.6	-111.7	0	0	0	107.7	D600 A610 V611 R699 L702 I710	Y598-D600 HydrophobicContact CD1-CB 4.48Å; Y598-D600 HydrophobicContact CE1-CB 3.72Å; Y598-D600 PolarHBondContact OH-OD1 2.64Å; Y598-A610 CarbonylContact O-C 3.49Å; Y598-A610 WeakPolarHBondContact O-CA 3.32Å; Y598-A610 WeakPolarHBondContact O-CB 3.48Å; Y598-V611 HydrophobicContact CD1-CB 4.5Å; Y598-V611 HydrophobicContact CD1-CG2 4.38Å; Y598-V611 PolarHBondContact N-O 2.94Å; Y598-V611 PolarHBondContact O-N 3.4Å; Y598-R699 HydrophobicContact CE2-CB 4.05Å; Y598-R699 HydrophobicContact CE2-CG 4.15Å; Y598-L702 HydrophobicContact CD1-CB 4.08Å; Y598-L702 HydrophobicContact CD2-CB 4.07Å; Y598-L702 HydrophobicContact CD2-CD1 3.76Å; Y598-L702 HydrophobicContact CD2-CG 4.5Å; Y598-L702 HydrophobicContact CE1-CB 4.18Å; Y598-L702 HydrophobicContact CE2-CB 4.15Å; Y598-L702 HydrophobicContact CE2-CD1 4.41Å; Y598-L702 HydrophobicContact CG-CB 4.03Å; Y598-L702 HydrophobicContact CG-CD1 4Å; Y598-L702 HydrophobicContact CG-CG 4.45Å; Y598-I710 HydrophobicContact CE1-CD1 3.94Å
599	V	95	Very high	88.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.9	177.9	174.4	0	0	0	0	108.2	P581 I584 E585 Y588 I597 L608 A610 V674 R699	P581-V599 HydrophobicContact CB-CB 4.47Å; P581-V599 HydrophobicContact CB-CG1 4.48Å; I584-V599 HydrophobicContact CG2-CG1 4.35Å; I584-V599 HydrophobicContact CG2-CG2 3.93Å; E585-V599 HydrophobicContact CG-CB 3.83Å; E585-V599 HydrophobicContact CG-CG2 3.57Å; E585-V599 PolarHBondContact OE1-N 3.42Å; Y588-V599 HydrophobicContact CD2-CG2 4.2Å; Y588-V599 HydrophobicContact CE2-CG2 4.44Å; I597-V599 HydrophobicContact CD1-CG2 4.23Å; I597-V599 HydrophobicContact CG1-CG2 4.24Å; V599-L608 HydrophobicContact CG1-CB 4.28Å; V599-L608 HydrophobicContact CG1-CD1 4.16Å; V599-A610 HydrophobicContact CG2-CB 4.21Å; V599-V674 HydrophobicContact CG1-CG1 4.14Å; V599-V674 HydrophobicContact CG2-CG1 4.2Å; V599-R699 PolarHBondContact O-NH2 2.85Å
600	D	93.5	Very high	88.7	Confident	3 Å²	3	28.5 Å²	28.5	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.3	-178.1	-171.2	80.2	0	0	0	110.7	Y598 H602 V609 R703 I710 Y714	Y598-D600 HydrophobicContact CD1-CB 4.48Å; Y598-D600 HydrophobicContact CE1-CB 3.72Å; Y598-D600 PolarHBondContact OH-OD1 2.64Å; D600-H602 IonicContact OD1-CE1 2.82Å; D600-H602 IonicContact OD2-CE1 3.3Å; D600-H602 PolarHBondContact OD2-CE1 2.84Å; D600-H602 IonicContact OD2-ND1 3.31Å; D600-H602 IonicContact OD2-NE2 2.93Å; D600-H602 PolarHBondContact OD2-NE2 3Å; D600-V609 HydrophobicContact CB-CG2 4.12Å; D600-V609 PolarHBondContact N-O 2.82Å; D600-V609 PolarHBondContact O-N 3.3Å; D600-V609 VanDerWaalsContact O-N 3.12Å; D600-R703 IonicContact OD1-NH1 3.66Å; D600-I710 HydrophobicContact CB-CD1 4.31Å; D600-I710 VanDerWaalsContact OD2-CG2 3.27Å; D600-I710 WeakPolarHBondContact OD2-CG2 3.35Å; D600-Y714 PolarHBondContact O-OH 3.19Å; D600-Y714 VanDerWaalsContact O-OH 3.11Å
601	G	88.1	Confident	89.6	Confident	2 Å²	2	24.9 Å²	24.9	2%	0.021	14%	0.144	C	C	.	.			trans	-164.5	148.1	-173.4	0	0	0	0	0	112.5	F571 Y714	F571-G601 WeakPolarHBondContact CD1-O 3.42Å; F571-G601 VanDerWaalsContact CE2-CA 3.44Å; F571-G601 WeakPolarHBondContact CG-O 3.45Å; G601-Y714 VanDerWaalsContact CA-OH 3.3Å; G601-Y714 WeakPolarHBondContact CA-OH 3.24Å
602	H	82.7	Confident	90.1	Very high	18 Å²	18	24.8 Å²	24.8	8%	0.083	14%	0.143	C	C	.	.			trans	-145.8	154.8	-172	-44.6	-31.8	0	0	0	112.3	K572 D600 H604 Q605 R703 Y714	K572-H602 CarbonylContact O-C 3.41Å; D600-H602 IonicContact OD1-CE1 2.82Å; D600-H602 IonicContact OD2-CE1 3.3Å; D600-H602 PolarHBondContact OD2-CE1 2.84Å; D600-H602 IonicContact OD2-ND1 3.31Å; D600-H602 IonicContact OD2-NE2 2.93Å; D600-H602 PolarHBondContact OD2-NE2 3Å; H602-H604 VanDerWaalsContact C-N 3.27Å; H602-H604 WeakPolarHBondContact CB-CE1 3.48Å; H602-H604 AromaticContact CD2-CE1 3.42Å; H602-H604 PolarHBondContact CD2-CE1 3.06Å; H602-H604 VanDerWaalsContact CD2-CE1 3.42Å; H602-H604 AromaticContact CD2-NE2 3.81Å; H602-H604 AromaticContact CG-CE1 3.68Å; H602-H604 PolarHBondContact O-N 3.02Å; H602-Q605 HydrophobicContact CB-CG 4.09Å; H602-Q605 PolarHBondContact O-N 3.43Å; H602-R703 PolarHBondContact CE1-NH1 3.01Å; H602-R703 VanDerWaalsContact CE1-NH1 3.29Å; H602-R703 PolarHBondContact CE1-NH2 3.09Å; H602-R703 PolarHBondContact ND1-NH1 3.34Å; H602-R703 PolarHBondContact ND1-NH2 2.83Å; H602-R703 VanDerWaalsContact ND1-NH2 3.11Å; H602-R703 PolarHBondContact NE2-NH2 3.11Å; H602-Y714 AromaticContact CD2-CD2 3.93Å; H602-Y714 AromaticContact CD2-CE2 3.49Å; H602-Y714 VanDerWaalsContact CD2-CE2 3.49Å; H602-Y714 WeakPolarHBondContact CD2-CE2 3.31Å; H602-Y714 AromaticContact NE2-CD2 3.95Å; H602-Y714 AromaticContact NE2-CE2 3.46Å; H602-Y714 WeakPolarHBondContact NE2-CE2 3.46Å
603	S	74.5	Confident	90.6	Very high	86 Å²	86	21.8 Å²	21.8	60%	0.601	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.5	-179.4	50.6	0	0	0	0	116.5	K572 S574	K572-S603 WeakPolarHBondContact O-CA 3.47Å; K572-S603 PolarHBondContact O-N 3.29Å; S574-S603 WeakPolarHBondContact CA-O 3.46Å; S574-S603 PolarHBondContact N-O 2.99Å
604	H	77.2	Confident	90.8	Very high	122 Å²	122	21 Å²	21	57%	0.565	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-0.4	180	59.2	-74	0	0	0	112.8	H602	H602-H604 VanDerWaalsContact C-N 3.27Å; H602-H604 WeakPolarHBondContact CB-CE1 3.48Å; H602-H604 AromaticContact CD2-CE1 3.42Å; H602-H604 PolarHBondContact CD2-CE1 3.06Å; H602-H604 VanDerWaalsContact CD2-CE1 3.42Å; H602-H604 AromaticContact CD2-NE2 3.81Å; H602-H604 AromaticContact CG-CE1 3.68Å; H602-H604 PolarHBondContact O-N 3.02Å
605	Q	84.8	Confident	90.8	Very high	32 Å²	32	23.7 Å²	23.7	15%	0.15	13%	0.134	C	C	.	.			trans	-110.3	141.5	-175	-60.3	-63.9	-16.9	0	0	110.6	L573 S574 H602 Y607 Y714	L573-Q605 WeakPolarHBondContact CD2-O 3.25Å; S574-Q605 PolarHBondContact N-O 3.5Å; S574-Q605 PolarHBondContact OG-O 2.85Å; H602-Q605 HydrophobicContact CB-CG 4.09Å; H602-Q605 PolarHBondContact O-N 3.43Å; Q605-Y607 VanDerWaalsContact C-N 3.34Å; Q605-Y714 HydrophobicContact CB-CD1 3.96Å; Q605-Y714 HydrophobicContact CB-CE1 3.56Å; Q605-Y714 HydrophobicContact CG-CD1 3.47Å; Q605-Y714 VanDerWaalsContact CG-CD1 3.47Å; Q605-Y714 HydrophobicContact CG-CD2 4.2Å; Q605-Y714 HydrophobicContact CG-CE1 3.45Å; Q605-Y714 VanDerWaalsContact CG-CE1 3.45Å; Q605-Y714 HydrophobicContact CG-CE2 4.17Å; Q605-Y714 HydrophobicContact CG-CG 3.87Å
606	S	84.7	Confident	90.7	Very high	54 Å²	54	25.5 Å²	25.5	38%	0.378	13%	0.134	S	C	.	.	S	Bend	trans	-88	-3.7	-179.7	52.2	0	0	0	0	113.4	S574 Q575	S574-S606 VanDerWaalsContact OG-CA 3.31Å; S574-S606 WeakPolarHBondContact OG-CA 3.26Å; S574-S606 WeakPolarHBondContact OG-CB 3.46Å; S574-S606 PolarHBondContact OG-N 3.39Å; Q575-S606 VanDerWaalsContact NE2-CA 3.34Å; Q575-S606 PolarHBondContact NE2-O 2.94Å
607	Y	90.6	Very high	90.2	Very high	20 Å²	20	30.5 Å²	30.5	8%	0.078	16%	0.161	C	C	.	.	S	Bend	trans	-153.3	168.6	-174.7	60.5	-95.1	0	0	0	113.1	Q605 V609 R675 K676 M713 Y714 V718	Q605-Y607 VanDerWaalsContact C-N 3.34Å; Y607-V609 HydrophobicContact CD2-CG1 4.08Å; Y607-V609 HydrophobicContact CE2-CG1 3.78Å; Y607-R675 VanDerWaalsContact CB-CG 3.43Å; Y607-R675 HydrophobicContact CD2-CB 3.57Å; Y607-R675 HydrophobicContact CD2-CG 4.02Å; Y607-R675 HydrophobicContact CE2-CB 4.21Å; Y607-R675 HydrophobicContact CG-CB 3.9Å; Y607-R675 HydrophobicContact CG-CG 3.82Å; Y607-K676 HydrophobicContact CE2-CD 4.31Å; Y607-K676 PolarHBondContact OH-NZ 3.13Å; Y607-M713 PolarHBondContact OH-O 3.14Å; Y607-Y714 HydrophobicContact CD2-CD1 4.46Å; Y607-Y714 HydrophobicContact CD2-CE1 4.12Å; Y607-Y714 AromaticContact CE2-CD1 3.85Å; Y607-Y714 HydrophobicContact CE2-CD1 3.85Å; Y607-Y714 AromaticContact CE2-CE1 3.94Å; Y607-Y714 HydrophobicContact CE2-CE1 3.94Å; Y607-Y714 WeakPolarHBondContact O-CE1 3.42Å; Y607-Y714 PolarHBondContact O-OH 3.21Å; Y607-Y714 PolarHBondContact OH-O 3.41Å; Y607-V718 HydrophobicContact CD1-CG2 4.1Å; Y607-V718 HydrophobicContact CE1-CG2 3.38Å
608	L	93.5	Very high	89.8	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	150.7	178.3	-49.8	177.5	0	0	0	112.2	F571 L573 V579 I584 V599 E672 V674 R675	F571-L608 HydrophobicContact CE2-CD2 3.41Å; F571-L608 VanDerWaalsContact CE2-CD2 3.41Å; F571-L608 HydrophobicContact CZ-CD2 3.79Å; L573-L608 HydrophobicContact CD1-CD2 4.39Å; L573-L608 HydrophobicContact CD2-CD2 3.88Å; V579-L608 HydrophobicContact CG1-CD1 3.88Å; V579-L608 HydrophobicContact CG1-CD2 4.18Å; I584-L608 HydrophobicContact CD1-CD1 3.47Å; I584-L608 VanDerWaalsContact CD1-CD1 3.47Å; V599-L608 HydrophobicContact CG1-CB 4.28Å; V599-L608 HydrophobicContact CG1-CD1 4.16Å; L608-E672 WeakPolarHBondContact CD1-O 3.43Å; L608-V674 HydrophobicContact CB-CG1 3.88Å; L608-V674 WeakPolarHBondContact O-CA 3.08Å; L608-R675 PolarHBondContact O-N 3.12Å
609	V	95.6	Very high	89.4	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	161.3	171.3	-57.3	0	0	0	0	110	D600 Y607 K676 I710 M713 Y714	D600-V609 HydrophobicContact CB-CG2 4.12Å; D600-V609 PolarHBondContact N-O 2.82Å; D600-V609 PolarHBondContact O-N 3.3Å; D600-V609 VanDerWaalsContact O-N 3.12Å; Y607-V609 HydrophobicContact CD2-CG1 4.08Å; Y607-V609 HydrophobicContact CE2-CG1 3.78Å; V609-K676 WeakPolarHBondContact CA-O 3.2Å; V609-K676 HydrophobicContact CG1-CB 4.18Å; V609-I710 HydrophobicContact CG2-CG2 4.23Å; V609-M713 HydrophobicContact CB-CB 4.28Å; V609-M713 HydrophobicContact CB-CE 3.86Å; V609-M713 HydrophobicContact CB-SD 4.06Å; V609-M713 HydrophobicContact CG1-CB 3.95Å; V609-M713 HydrophobicContact CG2-CE 3.77Å; V609-Y714 HydrophobicContact CG1-CD1 4Å; V609-Y714 HydrophobicContact CG1-CE1 3.61Å; V609-Y714 HydrophobicContact CG1-CE2 4.34Å; V609-Y714 HydrophobicContact CG2-CD2 4.39Å; V609-Y714 HydrophobicContact CG2-CE1 4.33Å; V609-Y714 HydrophobicContact CG2-CE2 3.67Å
610	A	97.2	Very high	88.9	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	145.7	176.9	0	0	0	0	0	114.3	I597 Y598 V599 V612 V674 K676 I677 H678	I597-A610 HydrophobicContact CD1-CB 3.96Å; I597-A610 HydrophobicContact CG1-CB 3.96Å; Y598-A610 CarbonylContact O-C 3.49Å; Y598-A610 WeakPolarHBondContact O-CA 3.32Å; Y598-A610 WeakPolarHBondContact O-CB 3.48Å; V599-A610 HydrophobicContact CG2-CB 4.21Å; A610-V612 HydrophobicContact CB-CG2 4.27Å; A610-V674 HydrophobicContact CB-CB 4.47Å; A610-V674 HydrophobicContact CB-CG1 3.93Å; A610-K676 PolarHBondContact N-O 2.77Å; A610-I677 HydrophobicContact CB-CG2 4.29Å; A610-I677 CarbonylContact O-C 3.56Å; A610-I677 WeakPolarHBondContact O-CA 3.19Å; A610-H678 PolarHBondContact O-N 3.2Å
611	V	97.6	Very high	88.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.5	164.1	180	0	0	0	0	107.9	I597 Y598 H678 T680 F684 F706	I597-V611 CarbonylContact C-O 3.56Å; I597-V611 WeakPolarHBondContact CA-O 3.26Å; Y598-V611 HydrophobicContact CD1-CB 4.5Å; Y598-V611 HydrophobicContact CD1-CG2 4.38Å; Y598-V611 PolarHBondContact N-O 2.94Å; Y598-V611 PolarHBondContact O-N 3.4Å; V611-H678 WeakPolarHBondContact CA-O 3.46Å; V611-T680 HydrophobicContact CG1-CG2 3.9Å; V611-F684 HydrophobicContact CB-CZ 4.48Å; V611-F684 HydrophobicContact CG1-CE1 4.21Å; V611-F684 HydrophobicContact CG1-CZ 3.98Å; V611-F706 HydrophobicContact CG1-CD1 4.17Å; V611-F706 HydrophobicContact CG1-CD2 4.18Å; V611-F706 HydrophobicContact CG1-CE1 3.93Å; V611-F706 HydrophobicContact CG1-CE2 3.95Å; V611-F706 HydrophobicContact CG1-CG 4.29Å; V611-F706 HydrophobicContact CG1-CZ 3.82Å; V611-F706 HydrophobicContact CG2-CB 4.01Å; V611-F706 HydrophobicContact CG2-CD1 4.22Å; V611-F706 HydrophobicContact CG2-CD2 4.13Å; V611-F706 HydrophobicContact CG2-CG 3.87Å
612	V	97.4	Very high	88.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.4	-171.2	171.6	0	0	0	0	109.7	I594 I597 A610 P614 I655 L659 I677 H678 L679 T680	I594-V612 HydrophobicContact CD1-CG1 3.39Å; I594-V612 HydrophobicContact CD1-CG2 4.47Å; I597-V612 HydrophobicContact CD1-CG2 3.91Å; I597-V612 HydrophobicContact CG1-CG2 3.95Å; A610-V612 HydrophobicContact CB-CG2 4.27Å; V612-P614 WeakPolarHBondContact O-CD 3.38Å; V612-I655 HydrophobicContact CG1-CG2 4.26Å; V612-L659 HydrophobicContact CG2-CD1 4.09Å; V612-I677 HydrophobicContact CG2-CB 4.25Å; V612-I677 HydrophobicContact CG2-CG2 4.18Å; V612-H678 PolarHBondContact N-O 3.35Å; V612-L679 HydrophobicContact CB-CD2 3.91Å; V612-L679 HydrophobicContact CG1-CD2 3.88Å; V612-L679 WeakPolarHBondContact O-CA 3.2Å; V612-T680 PolarHBondContact O-N 3.4Å
613	V	95.4	Very high	88.7	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.2	164.4	-174.6	0	0	0	0	107	S595 Q596 T680 F684	S595-V613 WeakPolarHBondContact CA-O 3.46Å; S595-V613 WeakPolarHBondContact CB-O 3.17Å; S595-V613 PolarHBondContact N-O 2.85Å; Q596-V613 HydrophobicContact CB-CB 3.95Å; Q596-V613 HydrophobicContact CB-CG2 3.95Å; Q596-V613 PolarHBondContact N-O 3.26Å; Q596-V613 PolarHBondContact O-N 3.45Å; V613-T680 WeakPolarHBondContact CA-O 3.5Å; V613-T680 HydrophobicContact CG2-CG2 3.8Å; V613-F684 HydrophobicContact CG2-CD1 4.32Å; V613-F684 HydrophobicContact CG2-CE1 3.93Å; V613-F684 HydrophobicContact CG2-CE2 4.45Å; V613-F684 HydrophobicContact CG2-CZ 3.99Å
614	P	93.8	Very high	89.1	Confident	7 Å²	7	38.7 Å²	38.7	5%	0.045	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	155	-178.5	27.2	-31.2	0	0	0	111.8	W593 V612 K616 L619 I655 T680	W593-P614 CarbonylContact O-C 3.56Å; W593-P614 VanDerWaalsContact O-CA 3.3Å; W593-P614 WeakPolarHBondContact O-CA 3.26Å; V612-P614 WeakPolarHBondContact O-CD 3.38Å; P614-K616 PolarHBondContact O-N 3.48Å; P614-L619 HydrophobicContact CB-CD2 4.11Å; P614-L619 HydrophobicContact CG-CD2 3.91Å; P614-I655 HydrophobicContact CB-CD1 3.95Å; P614-T680 WeakPolarHBondContact CD-O 3.36Å
615	E	90.7	Very high	89.5	Confident	72 Å²	72	39.4 Å²	39.4	34%	0.336	20%	0.201	S	C	.	.			trans	-72.3	112	166.5	175.4	49.5	123.1	0	0	109.5	W593 D617 M618 L619	W593-E615 PolarHBondContact O-N 3.16Å; E615-D617 PolarHBondContact O-N 3.28Å; E615-D617 PolarHBondContact OE2-N 2.87Å; E615-M618 HydrophobicContact CB-CB 4.26Å; E615-M618 HydrophobicContact CG-CB 4.05Å; E615-M618 PolarHBondContact O-N 2.97Å; E615-L619 WeakPolarHBondContact O-CB 3.36Å; E615-L619 PolarHBondContact O-N 3.33Å
616	K	88.5	Confident	89.5	Confident	97 Å²	97	43.4 Å²	43.4	42%	0.422	22%	0.219	S	C	.	.	H	α-helix	trans	-52.5	-51.8	-176.7	-64.3	-175.5	176.9	-172.9	0	111.8	P614 M618 L619 I620 L642	P614-K616 PolarHBondContact O-N 3.48Å; K616-M618 VanDerWaalsContact C-N 3.32Å; K616-M618 PolarHBondContact O-N 3.39Å; K616-L619 PolarHBondContact O-N 3.41Å; K616-I620 WeakPolarHBondContact O-CB 3.12Å; K616-I620 VanDerWaalsContact O-CG1 3.23Å; K616-I620 WeakPolarHBondContact O-CG1 3.44Å; K616-I620 PolarHBondContact O-N 2.72Å; K616-L642 HydrophobicContact CB-CD1 4.26Å; K616-L642 HydrophobicContact CB-CD2 4.45Å; K616-L642 HydrophobicContact CD-CD1 3.79Å; K616-L642 HydrophobicContact CG-CD1 3.88Å; K616-L642 HydrophobicContact CG-CD2 4.42Å
617	D	83.4	Confident	89.4	Confident	112 Å²	112	43.7 Å²	43.7	60%	0.599	23%	0.231	S	C	*	.	H	α-helix	trans	-64.1	-40.8	-175	-78	-11.1	0	0	0	111.4	E615 Q621	E615-D617 PolarHBondContact O-N 3.28Å; E615-D617 PolarHBondContact OE2-N 2.87Å; D617-Q621 WeakPolarHBondContact O-CB 3.46Å; D617-Q621 PolarHBondContact O-N 3.12Å; D617-Q621 VanDerWaalsContact O-N 3.12Å
618	M	85	Confident	88.8	Confident	32 Å²	32	45.3 Å²	45.3	16%	0.158	24%	0.241	C	C	.	.	H	α-helix	trans	-68.6	-43.5	178.9	-164.6	69.5	94.3	0	0	111.2	K392 P592 W593 E615 K616 Q621 W622	K392-M618 VanDerWaalsContact NZ-CE 3.26Å; P592-M618 HydrophobicContact CB-CE 3.65Å; P592-M618 HydrophobicContact CG-CE 4.14Å; W593-M618 HydrophobicContact CD2-CG 4.03Å; W593-M618 HydrophobicContact CE3-CB 4.48Å; W593-M618 HydrophobicContact CE3-CG 3.82Å; W593-M618 HydrophobicContact CH2-CG 4.19Å; W593-M618 HydrophobicContact CZ2-CG 4.37Å; W593-M618 HydrophobicContact CZ3-CG 3.91Å; E615-M618 HydrophobicContact CB-CB 4.26Å; E615-M618 HydrophobicContact CG-CB 4.05Å; E615-M618 PolarHBondContact O-N 2.97Å; K616-M618 VanDerWaalsContact C-N 3.32Å; K616-M618 PolarHBondContact O-N 3.39Å; M618-Q621 PolarHBondContact O-N 3.19Å; M618-W622 PolarHBondContact O-N 3.43Å
619	L	87.9	Confident	87.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-46.7	-180	178.2	59.2	0	0	0	111.6	P614 E615 K616 Q621 W622 A623 L642 V651 I655	P614-L619 HydrophobicContact CB-CD2 4.11Å; P614-L619 HydrophobicContact CG-CD2 3.91Å; E615-L619 WeakPolarHBondContact O-CB 3.36Å; E615-L619 PolarHBondContact O-N 3.33Å; K616-L619 PolarHBondContact O-N 3.41Å; L619-Q621 VanDerWaalsContact C-N 3.33Å; L619-Q621 PolarHBondContact O-N 2.8Å; L619-W622 PolarHBondContact O-N 3.15Å; L619-A623 VanDerWaalsContact O-CB 3.25Å; L619-A623 WeakPolarHBondContact O-CB 3.4Å; L619-A623 PolarHBondContact O-N 3.14Å; L619-L642 HydrophobicContact CD2-CD2 4.08Å; L619-V651 HydrophobicContact CD1-CG1 3.51Å; L619-I655 HydrophobicContact CD1-CD1 4.45Å
620	I	85.8	Confident	85.7	Confident	41 Å²	41	57.6 Å²	57.6	21%	0.21	30%	0.3	C	S	.	.	H	α-helix	trans	-61.8	-44.3	178.5	-67.6	167.5	0	0	0	110.4	K616 W622 S624 V640 L642	K616-I620 WeakPolarHBondContact O-CB 3.12Å; K616-I620 VanDerWaalsContact O-CG1 3.23Å; K616-I620 WeakPolarHBondContact O-CG1 3.44Å; K616-I620 PolarHBondContact O-N 2.72Å; I620-W622 PolarHBondContact O-N 3Å; I620-S624 WeakPolarHBondContact O-CB 3.38Å; I620-S624 PolarHBondContact O-N 3.12Å; I620-V640 HydrophobicContact CD1-CB 4.36Å; I620-V640 HydrophobicContact CG1-CB 4.43Å; I620-V640 HydrophobicContact CG1-CG1 4.15Å; I620-V640 HydrophobicContact CG2-CG2 4.25Å; I620-L642 HydrophobicContact CD1-CD1 4.45Å; I620-L642 HydrophobicContact CD1-CD2 4.21Å; I620-L642 HydrophobicContact CD1-CG 4.45Å; I620-L642 HydrophobicContact CG1-CD2 3.99Å
621	Q	84.6	Confident	83	Confident	114 Å²	114	62.4 Å²	62.4	53%	0.533	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-45.6	179.6	-176.5	177.7	1.4	0	0	111.8	D617 M618 L619 Q625	D617-Q621 WeakPolarHBondContact O-CB 3.46Å; D617-Q621 PolarHBondContact O-N 3.12Å; D617-Q621 VanDerWaalsContact O-N 3.12Å; M618-Q621 PolarHBondContact O-N 3.19Å; L619-Q621 VanDerWaalsContact C-N 3.33Å; L619-Q621 PolarHBondContact O-N 2.8Å; Q621-Q625 WeakPolarHBondContact O-CG 3.48Å; Q621-Q625 PolarHBondContact O-N 2.61Å
622	W	88.2	Confident	80.1	Confident	29 Å²	29	68.3 Å²	68.3	11%	0.11	37%	0.37	C	S	.	.	H	α-helix	trans	-71	-44.3	179.6	177.7	73	0	0	0	112.5	W593 M618 L619 I620 S624 Q625 E626 L628 V651 H654	W593-W622 HydrophobicContact CH2-CB 3.52Å; W593-W622 AromaticContact CH2-CD1 3.9Å; W593-W622 HydrophobicContact CH2-CD2 4.14Å; W593-W622 AromaticContact CH2-CG 3.52Å; W593-W622 HydrophobicContact CH2-CG 3.52Å; W593-W622 HydrophobicContact CZ3-CB 3.73Å; W593-W622 HydrophobicContact CZ3-CD2 4.32Å; W593-W622 AromaticContact CZ3-CG 3.96Å; W593-W622 HydrophobicContact CZ3-CG 3.96Å; M618-W622 PolarHBondContact O-N 3.43Å; L619-W622 PolarHBondContact O-N 3.15Å; I620-W622 PolarHBondContact O-N 3Å; W622-S624 PolarHBondContact O-N 3.18Å; W622-Q625 WeakPolarHBondContact O-CA 3.36Å; W622-Q625 WeakPolarHBondContact O-CB 3.46Å; W622-Q625 PolarHBondContact O-N 2.98Å; W622-E626 HydrophobicContact CD2-CG 3.9Å; W622-E626 HydrophobicContact CE3-CG 4.42Å; W622-E626 HydrophobicContact CG-CG 4.38Å; W622-E626 HydrophobicContact CH2-CG 4.03Å; W622-E626 HydrophobicContact CZ2-CG 3.43Å; W622-E626 VanDerWaalsContact CZ2-CG 3.43Å; W622-E626 HydrophobicContact CZ3-CG 4.47Å; W622-E626 PolarHBondContact NE1-OE1 3.28Å; W622-E626 PolarHBondContact O-N 3.49Å; W622-L628 HydrophobicContact CH2-CD1 4.1Å; W622-L628 HydrophobicContact CZ3-CD1 3.85Å; W622-V651 HydrophobicContact CZ3-CG2 4.07Å; W622-H654 AromaticContact CE2-CD2 3.95Å; W622-H654 AromaticContact CE2-CE1 3.51Å; W622-H654 AromaticContact CE2-CG 3.7Å; W622-H654 AromaticContact CE2-ND1 3.44Å; W622-H654 AromaticContact CE2-NE2 3.89Å; W622-H654 HydrophobicContact CH2-CB 3.49Å; W622-H654 VanDerWaalsContact CH2-CB 3.49Å; W622-H654 AromaticContact CH2-CG 3.65Å; W622-H654 AromaticContact CH2-ND1 3.92Å; W622-H654 HydrophobicContact CZ2-CB 3.72Å; W622-H654 AromaticContact CZ2-CE1 3.77Å; W622-H654 AromaticContact CZ2-CG 3.38Å; W622-H654 AromaticContact CZ2-ND1 3.18Å; W622-H654 WeakPolarHBondContact CZ2-ND1 3.41Å; W622-H654 HydrophobicContact CZ3-CB 4.06Å; W622-H654 AromaticContact NE1-CE1 3.49Å; W622-H654 PolarHBondContact NE1-CE1 3.44Å; W622-H654 AromaticContact NE1-ND1 3.82Å
623	A	86.4	Confident	76.9	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-57.9	-36.6	177	0	0	0	0	0	112.4	L619 Q625 G627 L628 L629 L645	L619-A623 VanDerWaalsContact O-CB 3.25Å; L619-A623 WeakPolarHBondContact O-CB 3.4Å; L619-A623 PolarHBondContact O-N 3.14Å; A623-Q625 VanDerWaalsContact C-N 3.32Å; A623-Q625 PolarHBondContact O-N 3.19Å; A623-G627 PolarHBondContact O-N 2.97Å; A623-L628 HydrophobicContact CB-CB 4.32Å; A623-L628 PolarHBondContact O-N 3.27Å; A623-L629 HydrophobicContact CB-CG 4.36Å; A623-L645 HydrophobicContact CB-CD1 4.38Å; A623-L645 HydrophobicContact CB-CD2 3.48Å; A623-L645 VanDerWaalsContact CB-CD2 3.48Å
624	S	83.4	Confident	74.1	Confident	74 Å²	74	78.2 Å²	78.2	52%	0.517	43%	0.43	S	S	.	.	H	α-helix	trans	-64.5	-34.8	172.9	-173.8	0	0	0	0	113.1	I620 W622	I620-S624 WeakPolarHBondContact O-CB 3.38Å; I620-S624 PolarHBondContact O-N 3.12Å; W622-S624 PolarHBondContact O-N 3.18Å
625	Q	84.7	Confident	71.4	Confident	137 Å²	137	89.7 Å²	89.7	64%	0.64	47%	0.473	S	S	*	.	H	α-helix	trans	-75.6	-35	-179.6	-71.6	173.1	-11.9	0	0	112	Q621 W622 A623 G627	Q621-Q625 WeakPolarHBondContact O-CG 3.48Å; Q621-Q625 PolarHBondContact O-N 2.61Å; W622-Q625 WeakPolarHBondContact O-CA 3.36Å; W622-Q625 WeakPolarHBondContact O-CB 3.46Å; W622-Q625 PolarHBondContact O-N 2.98Å; A623-Q625 VanDerWaalsContact C-N 3.32Å; A623-Q625 PolarHBondContact O-N 3.19Å; Q625-G627 PolarHBondContact O-N 3.41Å
626	E	85.2	Confident	69.1	Low	115 Å²	115	88 Å²	88	54%	0.537	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1.3	177.1	-60.4	-66.1	152.7	0	0	113.3	W622 L628	W622-E626 HydrophobicContact CD2-CG 3.9Å; W622-E626 HydrophobicContact CE3-CG 4.42Å; W622-E626 HydrophobicContact CG-CG 4.38Å; W622-E626 HydrophobicContact CH2-CG 4.03Å; W622-E626 HydrophobicContact CZ2-CG 3.43Å; W622-E626 VanDerWaalsContact CZ2-CG 3.43Å; W622-E626 HydrophobicContact CZ3-CG 4.47Å; W622-E626 PolarHBondContact NE1-OE1 3.28Å; W622-E626 PolarHBondContact O-N 3.49Å; E626-L628 VanDerWaalsContact C-N 3.26Å; E626-L628 HydrophobicContact CB-CD1 4.03Å; E626-L628 HydrophobicContact CB-CG 3.99Å; E626-L628 PolarHBondContact O-N 3.45Å
627	G	81.6	Confident	67.1	Low	60 Å²	60	92.2 Å²	92.2	62%	0.619	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	20.4	-179.2	0	0	0	0	0	114.4	A623 Q625 L629	A623-G627 PolarHBondContact O-N 2.97Å; Q625-G627 PolarHBondContact O-N 3.41Å; G627-L629 VanDerWaalsContact C-N 3.26Å; G627-L629 PolarHBondContact O-N 2.7Å
628	L	79.6	Confident	65.6	Low	55 Å²	55	94.3 Å²	94.3	29%	0.288	50%	0.504	S	S	.	.			trans	-81.9	-3.2	-179.4	-65.1	172.1	0	0	0	113.5	W622 A623 E626 E630 V651	W622-L628 HydrophobicContact CH2-CD1 4.1Å; W622-L628 HydrophobicContact CZ3-CD1 3.85Å; A623-L628 HydrophobicContact CB-CB 4.32Å; A623-L628 PolarHBondContact O-N 3.27Å; E626-L628 VanDerWaalsContact C-N 3.26Å; E626-L628 HydrophobicContact CB-CD1 4.03Å; E626-L628 HydrophobicContact CB-CG 3.99Å; E626-L628 PolarHBondContact O-N 3.45Å; L628-E630 PolarHBondContact O-N 2.78Å; L628-V651 HydrophobicContact CD1-CG2 4.07Å
629	L	69.8	Low	64	Low	61 Å²	61	99.4 Å²	99.4	32%	0.319	53%	0.531	S	S	.	.			trans	-90.6	91.2	173	-65.9	175.7	0	0	0	109	A623 G627 C631 V640 L645	A623-L629 HydrophobicContact CB-CG 4.36Å; G627-L629 VanDerWaalsContact C-N 3.26Å; G627-L629 PolarHBondContact O-N 2.7Å; L629-C631 VanDerWaalsContact C-N 3.26Å; L629-C631 PolarHBondContact O-N 2.7Å; L629-V640 HydrophobicContact CD2-CG1 3.79Å; L629-V640 HydrophobicContact CD2-CG2 4.48Å; L629-L645 HydrophobicContact CD2-CD1 3.81Å
630	E	54	Low	62.7	Low	197 Å²	197	101.1 Å²	101.1	92%	0.921	54%	0.542	S	S	*	.			trans	-71.4	77.5	171	-72	-172.1	170.1	0	0	110.8	L628	L628-E630 PolarHBondContact O-N 2.78Å
631	C	40.4	Very low	62.3	Low	102 Å²	102	103.3 Å²	103.3	69%	0.689	55%	0.554	S	S	*	*			trans	175.5	130.2	142.2	-125.2	0	0	0	0	111	L629 L633	L629-C631 VanDerWaalsContact C-N 3.26Å; L629-C631 PolarHBondContact O-N 2.7Å; C631-L633 VanDerWaalsContact C-N 3.3Å; C631-L633 PolarHBondContact O-N 2.8Å
632	P	35.3	Very low	62.2	Low	124 Å²	124	99.2 Å²	99.2	81%	0.805	54%	0.536	S	S	*	.	S	Bend	trans	-81.6	75.8	169.7	33.6	-29.7	0	0	0	108.7
633	L	31.6	Very low	62	Low	155 Å²	155	102.5 Å²	102.5	81%	0.812	55%	0.552	S	S	*	*			trans	172.4	73.9	164.5	-92.5	153.4	0	0	0	111	C631	C631-L633 VanDerWaalsContact C-N 3.3Å; C631-L633 PolarHBondContact O-N 2.8Å
634	A	36.4	Very low	61.9	Low	57 Å²	57	108.2 Å²	108.2	47%	0.471	58%	0.579	S	S	.	*			trans	-123.6	77.4	155.7	0	0	0	0	0	108.1	G636 L639	A634-G636 PolarHBondContact O-N 3.43Å; A634-L639 HydrophobicContact CB-CB 4.29Å
635	R	36.1	Very low	62	Low	249 Å²	249	105.1 Å²	105.1	94%	0.94	56%	0.556	S	S	*	*			trans	-71.7	78.7	162.9	-79.3	-173.3	-173.1	174.9	3.6	107.8
636	G	42.9	Very low	62.2	Low	36 Å²	36	98.9 Å²	98.9	37%	0.371	53%	0.528	S	S	.	.	S	Bend	trans	163.2	126.6	177.2	0	0	0	0	0	109.5	A634 D638	A634-G636 PolarHBondContact O-N 3.43Å; G636-D638 PolarHBondContact O-N 2.9Å
637	K	47.4	Very low	62.3	Low	185 Å²	185	100.1 Å²	100.1	80%	0.804	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-8.4	178.5	-83	-175.6	170.4	-170.3	0	114
638	D	50.5	Low	62.6	Low	157 Å²	157	99.6 Å²	99.6	84%	0.84	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	1.5	-165.8	-59.8	-40.2	0	0	0	115.2	G636	G636-D638 PolarHBondContact O-N 2.9Å
639	L	52.9	Low	63	Low	138 Å²	138	102.4 Å²	102.4	72%	0.723	53%	0.528	S	S	*	.			trans	-111.3	6.5	-173.8	-81.5	162.9	0	0	0	115.6	A634 D641	A634-L639 HydrophobicContact CB-CB 4.29Å; L639-D641 PolarHBondContact O-N 3.44Å
640	V	60.8	Low	64	Low	37 Å²	37	103.6 Å²	103.6	22%	0.224	54%	0.537	C	S	.	.			trans	-77.1	114.7	172.9	-178.7	0	0	0	0	108.7	I620 L629 L642 L645	I620-V640 HydrophobicContact CD1-CB 4.36Å; I620-V640 HydrophobicContact CG1-CB 4.43Å; I620-V640 HydrophobicContact CG1-CG1 4.15Å; I620-V640 HydrophobicContact CG2-CG2 4.25Å; L629-V640 HydrophobicContact CD2-CG1 3.79Å; L629-V640 HydrophobicContact CD2-CG2 4.48Å; V640-L642 PolarHBondContact O-N 3.5Å; V640-L645 HydrophobicContact CG1-CD1 3.41Å; V640-L645 VanDerWaalsContact CG1-CD1 3.41Å
641	D	76.7	Confident	65.8	Low	88 Å²	88	94.2 Å²	94.2	47%	0.471	49%	0.494	S	S	.	.			trans	-69.5	83.3	171.4	-170.7	-13.3	0	0	0	109.6	L639 E643 Q644 L645	L639-D641 PolarHBondContact O-N 3.44Å; D641-E643 PolarHBondContact O-N 3.39Å; D641-E643 WeakPolarHBondContact OD1-CA 3.32Å; D641-E643 VanDerWaalsContact OD1-CB 3.27Å; D641-E643 WeakPolarHBondContact OD1-CB 3.32Å; D641-E643 PolarHBondContact OD1-N 3.49Å; D641-Q644 HydrophobicContact CB-CB 4.08Å; D641-Q644 HydrophobicContact CB-CG 4.13Å; D641-Q644 VanDerWaalsContact CG-CG 3.5Å; D641-Q644 WeakPolarHBondContact O-CB 3.49Å; D641-Q644 PolarHBondContact O-N 3.47Å; D641-Q644 PolarHBondContact OD1-N 2.88Å; D641-Q644 WeakPolarHBondContact OD2-CG 3.49Å; D641-L645 PolarHBondContact O-N 3.13Å; D641-L645 VanDerWaalsContact O-N 3.14Å
642	L	81.8	Confident	68.3	Low	28 Å²	28	91.7 Å²	91.7	15%	0.147	47%	0.471	C	S	.	.	H	α-helix	trans	-56.5	-27	175.2	-82	157.7	0	0	0	111.9	K616 L619 I620 V640 L645 C646 T681	K616-L642 HydrophobicContact CB-CD1 4.26Å; K616-L642 HydrophobicContact CB-CD2 4.45Å; K616-L642 HydrophobicContact CD-CD1 3.79Å; K616-L642 HydrophobicContact CG-CD1 3.88Å; K616-L642 HydrophobicContact CG-CD2 4.42Å; L619-L642 HydrophobicContact CD2-CD2 4.08Å; I620-L642 HydrophobicContact CD1-CD1 4.45Å; I620-L642 HydrophobicContact CD1-CD2 4.21Å; I620-L642 HydrophobicContact CD1-CG 4.45Å; I620-L642 HydrophobicContact CG1-CD2 3.99Å; V640-L642 PolarHBondContact O-N 3.5Å; L642-L645 PolarHBondContact O-N 2.93Å; L642-C646 WeakPolarHBondContact O-CB 3.31Å; L642-C646 PolarHBondContact O-N 3.48Å; L642-C646 PolarHBondContact O-SG 2.9Å; L642-T681 HydrophobicContact CB-CG2 3.73Å; L642-T681 WeakPolarHBondContact O-CG2 3.28Å
643	E	84.7	Confident	71.1	Confident	97 Å²	97	89 Å²	89	45%	0.453	45%	0.454	S	S	.	.	H	α-helix	trans	-75.7	-39	-176.8	-145.3	169	-142.5	0	0	110.7	D641 K647 T681	D641-E643 PolarHBondContact O-N 3.39Å; D641-E643 WeakPolarHBondContact OD1-CA 3.32Å; D641-E643 VanDerWaalsContact OD1-CB 3.27Å; D641-E643 WeakPolarHBondContact OD1-CB 3.32Å; D641-E643 PolarHBondContact OD1-N 3.49Å; E643-K647 WeakPolarHBondContact O-CG 3.48Å; E643-T681 HydrophobicContact CB-CG2 4.23Å; E643-T681 HydrophobicContact CG-CG2 4.33Å
644	Q	84.4	Confident	74.1	Confident	120 Å²	120	83.3 Å²	83.3	56%	0.561	42%	0.424	S	S	*	.	H	α-helix	trans	-59.9	-49.7	166.1	-80.9	-94.1	-4.8	0	0	111.6	D641 C646 K647 V648	D641-Q644 HydrophobicContact CB-CB 4.08Å; D641-Q644 HydrophobicContact CB-CG 4.13Å; D641-Q644 VanDerWaalsContact CG-CG 3.5Å; D641-Q644 WeakPolarHBondContact O-CB 3.49Å; D641-Q644 PolarHBondContact O-N 3.47Å; D641-Q644 PolarHBondContact OD1-N 2.88Å; D641-Q644 WeakPolarHBondContact OD2-CG 3.49Å; Q644-C646 VanDerWaalsContact C-N 3.29Å; Q644-C646 PolarHBondContact O-N 2.74Å; Q644-K647 WeakPolarHBondContact O-CB 3.45Å; Q644-K647 PolarHBondContact O-N 3.02Å; Q644-V648 PolarHBondContact O-N 3.35Å
645	L	85.4	Confident	76.9	Confident	10 Å²	10	80.7 Å²	80.7	5%	0.052	40%	0.401	C	S	.	.	H	α-helix	trans	-56.1	-41.9	179.1	-99.6	153.8	0	0	0	112.9	A623 L629 V640 D641 L642 K647 V648 V651	A623-L645 HydrophobicContact CB-CD1 4.38Å; A623-L645 HydrophobicContact CB-CD2 3.48Å; A623-L645 VanDerWaalsContact CB-CD2 3.48Å; L629-L645 HydrophobicContact CD2-CD1 3.81Å; V640-L645 HydrophobicContact CG1-CD1 3.41Å; V640-L645 VanDerWaalsContact CG1-CD1 3.41Å; D641-L645 PolarHBondContact O-N 3.13Å; D641-L645 VanDerWaalsContact O-N 3.14Å; L642-L645 PolarHBondContact O-N 2.93Å; L645-K647 PolarHBondContact O-N 3.06Å; L645-V648 WeakPolarHBondContact O-CB 3.47Å; L645-V648 PolarHBondContact O-N 3.07Å; L645-V648 VanDerWaalsContact O-N 3.16Å; L645-V651 HydrophobicContact CD2-CG2 3.92Å; L645-V651 WeakPolarHBondContact O-CG2 3.23Å
646	C	88.5	Confident	79.8	Confident	5 Å²	5	69.9 Å²	69.9	3%	0.034	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.3	177.9	-72.2	0	0	0	0	113.8	L642 Q644 K652 L679	L642-C646 WeakPolarHBondContact O-CB 3.31Å; L642-C646 PolarHBondContact O-N 3.48Å; L642-C646 PolarHBondContact O-SG 2.9Å; Q644-C646 VanDerWaalsContact C-N 3.29Å; Q644-C646 PolarHBondContact O-N 2.74Å; C646-K652 WeakPolarHBondContact O-CE 3.3Å; C646-L679 HydrophobicContact CB-CB 3.66Å; C646-L679 HydrophobicContact CB-CD1 4.37Å
647	K	87.2	Confident	82.3	Confident	141 Å²	141	71.5 Å²	71.5	61%	0.613	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-20.4	175.8	-66.4	170.7	-175.7	173.9	0	112.9	E643 Q644 L645 E649	E643-K647 WeakPolarHBondContact O-CG 3.48Å; Q644-K647 WeakPolarHBondContact O-CB 3.45Å; Q644-K647 PolarHBondContact O-N 3.02Å; L645-K647 PolarHBondContact O-N 3.06Å; K647-E649 PolarHBondContact O-N 3.25Å
648	V	87.9	Confident	84.6	Confident	49 Å²	49	64.8 Å²	64.8	30%	0.297	33%	0.334	S	S	.	.			trans	-67.2	126.2	-179	178.7	0	0	0	0	110.3	Q644 L645 T650 V651 K652	Q644-V648 PolarHBondContact O-N 3.35Å; L645-V648 WeakPolarHBondContact O-CB 3.47Å; L645-V648 PolarHBondContact O-N 3.07Å; L645-V648 VanDerWaalsContact O-N 3.16Å; V648-T650 VanDerWaalsContact C-N 3.34Å; V648-T650 VanDerWaalsContact CG1-OG1 3.24Å; V648-T650 WeakPolarHBondContact CG1-OG1 3.28Å; V648-T650 PolarHBondContact O-N 3.1Å; V648-V651 HydrophobicContact CB-CB 4.32Å; V648-V651 HydrophobicContact CB-CG2 3.85Å; V648-V651 HydrophobicContact CG1-CG2 4.09Å; V648-V651 WeakPolarHBondContact O-CB 3.3Å; V648-V651 PolarHBondContact O-N 2.88Å; V648-V651 VanDerWaalsContact O-N 3.11Å; V648-K652 PolarHBondContact O-N 3.01Å
649	E	89.3	Confident	86.7	Confident	115 Å²	115	57.3 Å²	57.3	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-37.1	-174.2	-163.4	58.3	-150.4	0	0	112.4	K647 V651 K652 C653	K647-E649 PolarHBondContact O-N 3.25Å; E649-V651 PolarHBondContact O-N 2.98Å; E649-K652 PolarHBondContact O-N 3.5Å; E649-K652 IonicContact OE2-NZ 3.39Å; E649-C653 WeakPolarHBondContact O-CB 3.26Å; E649-C653 PolarHBondContact O-N 3.36Å; E649-C653 PolarHBondContact O-SG 3.06Å
650	T	90.4	Very high	88.7	Confident	85 Å²	85	54.7 Å²	54.7	52%	0.521	27%	0.274	S	S	.	.	H	α-helix	trans	-58.3	-36.1	174.1	5.3	0	0	0	0	112.3	V648 H654	V648-T650 VanDerWaalsContact C-N 3.34Å; V648-T650 VanDerWaalsContact CG1-OG1 3.24Å; V648-T650 WeakPolarHBondContact CG1-OG1 3.28Å; V648-T650 PolarHBondContact O-N 3.1Å; T650-H654 WeakPolarHBondContact O-CB 3.24Å; T650-H654 PolarHBondContact O-N 3.32Å
651	V	91.9	Very high	90.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-68.7	-46.2	176.4	175.5	0	0	0	0	110.8	L619 W622 L628 L645 V648 E649 H654 I655 L679	L619-V651 HydrophobicContact CD1-CG1 3.51Å; W622-V651 HydrophobicContact CZ3-CG2 4.07Å; L628-V651 HydrophobicContact CD1-CG2 4.07Å; L645-V651 HydrophobicContact CD2-CG2 3.92Å; L645-V651 WeakPolarHBondContact O-CG2 3.23Å; V648-V651 HydrophobicContact CB-CB 4.32Å; V648-V651 HydrophobicContact CB-CG2 3.85Å; V648-V651 HydrophobicContact CG1-CG2 4.09Å; V648-V651 WeakPolarHBondContact O-CB 3.3Å; V648-V651 PolarHBondContact O-N 2.88Å; V648-V651 VanDerWaalsContact O-N 3.11Å; E649-V651 PolarHBondContact O-N 2.98Å; V651-H654 PolarHBondContact O-N 3.47Å; V651-I655 HydrophobicContact CG1-CD1 4.06Å; V651-I655 PolarHBondContact O-N 2.64Å; V651-L679 HydrophobicContact CG1-CD1 3.77Å
652	K	93.4	Very high	90.8	Very high	50 Å²	50	54.8 Å²	54.8	22%	0.217	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-47.5	176	-69.9	-178	-169.7	159	0	111.5	C646 V648 E649 H654 I655 L656 I677 L679	C646-K652 WeakPolarHBondContact O-CE 3.3Å; V648-K652 PolarHBondContact O-N 3.01Å; E649-K652 PolarHBondContact O-N 3.5Å; E649-K652 IonicContact OE2-NZ 3.39Å; K652-H654 VanDerWaalsContact C-N 3.33Å; K652-H654 PolarHBondContact O-N 2.9Å; K652-I655 PolarHBondContact O-N 2.82Å; K652-L656 VanDerWaalsContact O-CB 3.27Å; K652-L656 WeakPolarHBondContact O-CB 3.31Å; K652-L656 PolarHBondContact O-N 3.21Å; K652-I677 WeakPolarHBondContact O-CD1 3.48Å; K652-L679 HydrophobicContact CB-CD1 4.44Å; K652-L679 HydrophobicContact CG-CD1 3.7Å; K652-L679 HydrophobicContact CG-CG 4Å
653	C	93.7	Very high	91.1	Very high	67 Å²	67	53.5 Å²	53.5	45%	0.453	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-44	177.1	-75.3	0	0	0	0	111.7	E649 L656 D657	E649-C653 WeakPolarHBondContact O-CB 3.26Å; E649-C653 PolarHBondContact O-N 3.36Å; E649-C653 PolarHBondContact O-SG 3.06Å; C653-L656 PolarHBondContact O-N 3.29Å; C653-D657 WeakPolarHBondContact O-CB 3.41Å; C653-D657 PolarHBondContact O-N 3.47Å
654	H	94.4	Very high	91.2	Very high	36 Å²	36	51.9 Å²	51.9	17%	0.167	27%	0.265	C	S	.	.	H	α-helix	trans	-60.4	-52	177.2	-173.9	86.1	0	0	0	111.8	W593 W622 T650 V651 K652 L656 D657 Q658	W593-H654 AromaticContact CE2-NE2 3.67Å; W593-H654 AromaticContact CH2-CD2 3.66Å; W593-H654 AromaticContact CH2-NE2 3.11Å; W593-H654 WeakPolarHBondContact CH2-NE2 3.48Å; W593-H654 AromaticContact CZ2-CD2 3.91Å; W593-H654 AromaticContact CZ2-NE2 3.08Å; W593-H654 WeakPolarHBondContact CZ2-NE2 3.38Å; W593-H654 AromaticContact CZ3-CD2 3.8Å; W593-H654 AromaticContact CZ3-NE2 3.76Å; W622-H654 AromaticContact CE2-CD2 3.95Å; W622-H654 AromaticContact CE2-CE1 3.51Å; W622-H654 AromaticContact CE2-CG 3.7Å; W622-H654 AromaticContact CE2-ND1 3.44Å; W622-H654 AromaticContact CE2-NE2 3.89Å; W622-H654 HydrophobicContact CH2-CB 3.49Å; W622-H654 VanDerWaalsContact CH2-CB 3.49Å; W622-H654 AromaticContact CH2-CG 3.65Å; W622-H654 AromaticContact CH2-ND1 3.92Å; W622-H654 HydrophobicContact CZ2-CB 3.72Å; W622-H654 AromaticContact CZ2-CE1 3.77Å; W622-H654 AromaticContact CZ2-CG 3.38Å; W622-H654 AromaticContact CZ2-ND1 3.18Å; W622-H654 WeakPolarHBondContact CZ2-ND1 3.41Å; W622-H654 HydrophobicContact CZ3-CB 4.06Å; W622-H654 AromaticContact NE1-CE1 3.49Å; W622-H654 PolarHBondContact NE1-CE1 3.44Å; W622-H654 AromaticContact NE1-ND1 3.82Å; T650-H654 WeakPolarHBondContact O-CB 3.24Å; T650-H654 PolarHBondContact O-N 3.32Å; V651-H654 PolarHBondContact O-N 3.47Å; K652-H654 VanDerWaalsContact C-N 3.33Å; K652-H654 PolarHBondContact O-N 2.9Å; H654-L656 VanDerWaalsContact C-N 3.31Å; H654-L656 PolarHBondContact O-N 3.34Å; H654-D657 PolarHBondContact O-N 3.01Å; H654-Q658 VanDerWaalsContact O-CG 3.28Å; H654-Q658 WeakPolarHBondContact O-CG 3.23Å; H654-Q658 PolarHBondContact O-N 3.08Å
655	I	95.4	Very high	91.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-40.4	-179.3	-68.6	173.6	0	0	0	111	I594 V612 P614 L619 V651 K652 D657 Q658 L659 I677 L679	I594-I655 HydrophobicContact CD1-CG2 3.93Å; V612-I655 HydrophobicContact CG1-CG2 4.26Å; P614-I655 HydrophobicContact CB-CD1 3.95Å; L619-I655 HydrophobicContact CD1-CD1 4.45Å; V651-I655 HydrophobicContact CG1-CD1 4.06Å; V651-I655 PolarHBondContact O-N 2.64Å; K652-I655 PolarHBondContact O-N 2.82Å; I655-D657 VanDerWaalsContact C-N 3.35Å; I655-D657 PolarHBondContact O-N 3Å; I655-Q658 PolarHBondContact O-N 3.19Å; I655-L659 HydrophobicContact CG2-CD1 4.22Å; I655-L659 HydrophobicContact CG2-CG 4.47Å; I655-L659 WeakPolarHBondContact O-CG 3.35Å; I655-L659 PolarHBondContact O-N 3.29Å; I655-I677 HydrophobicContact CB-CD1 3.92Å; I655-I677 HydrophobicContact CG2-CD1 3.68Å; I655-L679 HydrophobicContact CB-CD2 4.46Å; I655-L679 HydrophobicContact CD1-CD1 3.79Å; I655-L679 HydrophobicContact CD1-CD2 3.69Å; I655-L679 HydrophobicContact CD1-CG 4.42Å; I655-L679 HydrophobicContact CG2-CD2 4.17Å
656	L	96.3	Very high	90.9	Very high	23 Å²	23	53 Å²	53	12%	0.12	28%	0.28	C	S	.	.	H	α-helix	trans	-61.8	-42.2	176.3	179	60.1	0	0	0	111.9	K652 C653 H654 Q658 L659 R660 V674 R675 I677	K652-L656 VanDerWaalsContact O-CB 3.27Å; K652-L656 WeakPolarHBondContact O-CB 3.31Å; K652-L656 PolarHBondContact O-N 3.21Å; C653-L656 PolarHBondContact O-N 3.29Å; H654-L656 VanDerWaalsContact C-N 3.31Å; H654-L656 PolarHBondContact O-N 3.34Å; L656-Q658 VanDerWaalsContact C-N 3.35Å; L656-L659 WeakPolarHBondContact O-CB 3.47Å; L656-L659 PolarHBondContact O-N 2.86Å; L656-R660 WeakPolarHBondContact O-CG 3.25Å; L656-R660 PolarHBondContact O-N 2.85Å; L656-V674 HydrophobicContact CD1-CG2 4.13Å; L656-V674 WeakPolarHBondContact CD1-O 3.41Å; L656-R675 WeakPolarHBondContact CD2-O 3.42Å; L656-I677 HydrophobicContact CB-CD1 3.98Å; L656-I677 HydrophobicContact CB-CG1 4.33Å; L656-I677 HydrophobicContact CD1-CG2 3.98Å
657	D	96.1	Very high	90.4	Very high	69 Å²	69	55.8 Å²	55.8	37%	0.369	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-37.7	177.6	-163.9	49.6	0	0	0	111.8	C653 H654 I655 R660 K661	C653-D657 WeakPolarHBondContact O-CB 3.41Å; C653-D657 PolarHBondContact O-N 3.47Å; H654-D657 PolarHBondContact O-N 3.01Å; I655-D657 VanDerWaalsContact C-N 3.35Å; I655-D657 PolarHBondContact O-N 3Å; D657-R660 PolarHBondContact O-N 3.38Å; D657-K661 WeakPolarHBondContact O-CG 3.42Å; D657-K661 PolarHBondContact O-N 2.48Å; D657-K661 VanDerWaalsContact OD2-CE 3.32Å; D657-K661 WeakPolarHBondContact OD2-CE 3.22Å; D657-K661 IonicContact OD2-NZ 2.75Å; D657-K661 PolarHBondContact OD2-NZ 3.15Å
658	Q	94.4	Very high	90.1	Very high	44 Å²	44	49.7 Å²	49.7	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-43.8	173.1	-64.8	-64.4	-34.8	0	0	112	W593 H654 I655 L656 R660 K661 T662	W593-Q658 HydrophobicContact CD2-CG 4.23Å; W593-Q658 HydrophobicContact CG-CB 4.12Å; W593-Q658 HydrophobicContact CG-CG 4.15Å; W593-Q658 HydrophobicContact CZ2-CG 4.38Å; W593-Q658 VanDerWaalsContact NE1-CG 3.34Å; H654-Q658 VanDerWaalsContact O-CG 3.28Å; H654-Q658 WeakPolarHBondContact O-CG 3.23Å; H654-Q658 PolarHBondContact O-N 3.08Å; I655-Q658 PolarHBondContact O-N 3.19Å; L656-Q658 VanDerWaalsContact C-N 3.35Å; Q658-R660 VanDerWaalsContact C-N 3.3Å; Q658-R660 PolarHBondContact O-N 3.41Å; Q658-K661 PolarHBondContact O-N 3.04Å; Q658-T662 PolarHBondContact O-N 3.37Å; Q658-T662 PolarHBondContact O-OG1 2.94Å; Q658-T662 VanDerWaalsContact O-OG1 3.07Å
659	L	95.1	Very high	89.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57.1	-46	172.3	-77.3	171.9	0	0	0	110.6	Y588 I594 I597 V612 I655 L656 K661 T662 G663 V674 I677	Y588-L659 HydrophobicContact CD1-CB 4.24Å; Y588-L659 HydrophobicContact CD1-CD2 3.6Å; Y588-L659 HydrophobicContact CD2-CD2 4.29Å; Y588-L659 HydrophobicContact CE1-CB 4.16Å; Y588-L659 HydrophobicContact CE1-CD2 4.31Å; Y588-L659 WeakPolarHBondContact CE1-O 3.44Å; Y588-L659 HydrophobicContact CG-CD2 3.6Å; I594-L659 HydrophobicContact CD1-CD1 4.18Å; I594-L659 HydrophobicContact CD1-CD2 3.65Å; I594-L659 HydrophobicContact CD1-CG 3.99Å; I594-L659 HydrophobicContact CG1-CD2 3.67Å; I594-L659 HydrophobicContact CG1-CG 4.44Å; I597-L659 HydrophobicContact CD1-CD1 4.4Å; I597-L659 HydrophobicContact CD1-CD2 4.15Å; V612-L659 HydrophobicContact CG2-CD1 4.09Å; I655-L659 HydrophobicContact CG2-CD1 4.22Å; I655-L659 HydrophobicContact CG2-CG 4.47Å; I655-L659 WeakPolarHBondContact O-CG 3.35Å; I655-L659 PolarHBondContact O-N 3.29Å; L656-L659 WeakPolarHBondContact O-CB 3.47Å; L656-L659 PolarHBondContact O-N 2.86Å; L659-K661 PolarHBondContact O-N 3.19Å; L659-T662 PolarHBondContact O-N 2.62Å; L659-G663 PolarHBondContact O-N 2.81Å; L659-V674 HydrophobicContact CD1-CG2 4.27Å; L659-I677 HydrophobicContact CD1-CD1 4.48Å; L659-I677 HydrophobicContact CD1-CG2 3.93Å
660	R	94.2	Very high	89.7	Confident	84 Å²	84	49.7 Å²	49.7	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-43.5	-179.9	-73	174.1	-179.7	173.9	3.5	113.2	L656 D657 Q658 G663 A664 Q673 R675	L656-R660 WeakPolarHBondContact O-CG 3.25Å; L656-R660 PolarHBondContact O-N 2.85Å; D657-R660 PolarHBondContact O-N 3.38Å; Q658-R660 VanDerWaalsContact C-N 3.3Å; Q658-R660 PolarHBondContact O-N 3.41Å; R660-G663 PolarHBondContact O-N 3.17Å; R660-A664 WeakPolarHBondContact O-CB 3.5Å; R660-A664 PolarHBondContact O-N 3.03Å; R660-Q673 PolarHBondContact O-NE2 3.04Å; R660-R675 PolarHBondContact NH2-O 3.26Å
661	K	93	Very high	89.4	Confident	112 Å²	112	48 Å²	48	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-45.5	173	-74.7	165.1	174.9	157.2	0	111.6	D657 Q658 L659 S665	D657-K661 WeakPolarHBondContact O-CG 3.42Å; D657-K661 PolarHBondContact O-N 2.48Å; D657-K661 VanDerWaalsContact OD2-CE 3.32Å; D657-K661 WeakPolarHBondContact OD2-CE 3.22Å; D657-K661 IonicContact OD2-NZ 2.75Å; D657-K661 PolarHBondContact OD2-NZ 3.15Å; Q658-K661 PolarHBondContact O-N 3.04Å; L659-K661 PolarHBondContact O-N 3.19Å; K661-S665 WeakPolarHBondContact O-CB 3.09Å; K661-S665 PolarHBondContact O-N 2.87Å; K661-S665 PolarHBondContact O-OG 2.77Å
662	T	89	Confident	89.2	Confident	15 Å²	15	49.7 Å²	49.7	9%	0.092	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-44.5	176.4	-60	0	0	0	0	111.6	R590 S591 Q658 L659 S665 H666	R590-T662 HydrophobicContact CB-CG2 4.17Å; S591-T662 WeakPolarHBondContact CB-OG1 3.41Å; Q658-T662 PolarHBondContact O-N 3.37Å; Q658-T662 PolarHBondContact O-OG1 2.94Å; Q658-T662 VanDerWaalsContact O-OG1 3.07Å; L659-T662 PolarHBondContact O-N 2.62Å; T662-S665 WeakPolarHBondContact CA-OG 3.33Å; T662-S665 PolarHBondContact O-OG 3.29Å; T662-H666 WeakPolarHBondContact O-CB 3.41Å; T662-H666 PolarHBondContact O-N 3.31Å; T662-H666 PolarHBondContact O-ND1 3.43Å
663	G	88.2	Confident	89.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-50.6	178.3	0	0	0	0	0	112.4	L659 R660 S665 H666 G667 L668	L659-G663 PolarHBondContact O-N 2.81Å; R660-G663 PolarHBondContact O-N 3.17Å; G663-S665 PolarHBondContact O-N 3.4Å; G663-H666 CarbonylContact O-C 3.47Å; G663-H666 PolarHBondContact O-N 3.07Å; G663-H666 VanDerWaalsContact O-N 3.17Å; G663-G667 PolarHBondContact O-N 2.69Å; G663-G667 VanDerWaalsContact O-N 3.13Å; G663-L668 WeakPolarHBondContact O-CB 3.27Å; G663-L668 PolarHBondContact O-N 3.23Å
664	A	88	Confident	89.2	Confident	63 Å²	63	45.1 Å²	45.1	52%	0.521	26%	0.26	S	S	.	.	H	α-helix	trans	-64.1	-43.4	-178.3	0	0	0	0	0	111.9	R660 H666 G667 Q673	R660-A664 WeakPolarHBondContact O-CB 3.5Å; R660-A664 PolarHBondContact O-N 3.03Å; A664-H666 PolarHBondContact O-N 2.89Å; A664-G667 PolarHBondContact O-N 3.26Å; A664-Q673 VanDerWaalsContact N-NE2 3.15Å
665	S	85.1	Confident	89.2	Confident	83 Å²	83	48.6 Å²	48.6	58%	0.58	27%	0.271	S	S	*	.	H	α-helix	trans	-65.7	-19.3	178.1	54.8	0	0	0	0	113.9	K661 T662 G663	K661-S665 WeakPolarHBondContact O-CB 3.09Å; K661-S665 PolarHBondContact O-N 2.87Å; K661-S665 PolarHBondContact O-OG 2.77Å; T662-S665 WeakPolarHBondContact CA-OG 3.33Å; T662-S665 PolarHBondContact O-OG 3.29Å; G663-S665 PolarHBondContact O-N 3.4Å
666	H	78.4	Confident	89.2	Confident	72 Å²	72	50 Å²	50	33%	0.333	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	15	-179.6	-66.2	96.8	0	0	0	113.9	V587 R590 T662 G663 A664	V587-H666 HydrophobicContact CG1-CB 3.58Å; R590-H666 PolarHBondContact NH1-CD2 3.39Å; T662-H666 WeakPolarHBondContact O-CB 3.41Å; T662-H666 PolarHBondContact O-N 3.31Å; T662-H666 PolarHBondContact O-ND1 3.43Å; G663-H666 CarbonylContact O-C 3.47Å; G663-H666 PolarHBondContact O-N 3.07Å; G663-H666 VanDerWaalsContact O-N 3.17Å; A664-H666 PolarHBondContact O-N 2.89Å
667	G	77.5	Confident	89.2	Confident	63 Å²	63	49.5 Å²	49.5	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	13	167.6	0	0	0	0	0	116.1	G663 A664	G663-G667 PolarHBondContact O-N 2.69Å; G663-G667 VanDerWaalsContact O-N 3.13Å; A664-G667 PolarHBondContact O-N 3.26Å
668	L	80.6	Confident	89.2	Confident	13 Å²	13	48.8 Å²	48.8	7%	0.068	27%	0.269	C	S	.	.			trans	-71.7	130.4	169.5	-61.8	-174.5	0	0	0	110.3	I584 V587 Y588 G663 E672	I584-L668 HydrophobicContact CB-CD1 4.5Å; I584-L668 HydrophobicContact CG1-CD1 4.47Å; I584-L668 HydrophobicContact CG1-CD2 4.09Å; I584-L668 HydrophobicContact CG2-CD1 3.94Å; V587-L668 HydrophobicContact CB-CD1 4.12Å; V587-L668 HydrophobicContact CB-CD2 4.37Å; V587-L668 HydrophobicContact CB-CG 4.27Å; V587-L668 HydrophobicContact CG1-CD1 3.87Å; V587-L668 HydrophobicContact CG1-CG 3.94Å; V587-L668 HydrophobicContact CG2-CD2 4.12Å; V587-L668 HydrophobicContact CG2-CG 4.41Å; Y588-L668 HydrophobicContact CD1-CD1 4.35Å; Y588-L668 HydrophobicContact CE1-CD1 3.78Å; Y588-L668 HydrophobicContact CE2-CD1 4.34Å; G663-L668 WeakPolarHBondContact O-CB 3.27Å; G663-L668 PolarHBondContact O-N 3.23Å; L668-E672 WeakPolarHBondContact CA-OE2 3.27Å; L668-E672 HydrophobicContact CB-CB 4.02Å; L668-E672 HydrophobicContact CD2-CB 4.15Å
669	N	83.3	Confident	89.3	Confident	80 Å²	80	47.1 Å²	47.1	43%	0.428	26%	0.261	S	S	.	.			trans	-75.1	176	174.7	73	48.9	0	0	0	111.7	L671 E672 Q673	N669-L671 VanDerWaalsContact C-N 3.27Å; N669-L671 PolarHBondContact O-N 3.15Å; N669-L671 WeakPolarHBondContact OD1-CA 3.43Å; N669-L671 WeakPolarHBondContact OD1-CB 3.41Å; N669-L671 PolarHBondContact OD1-N 2.84Å; N669-E672 PolarHBondContact N-OE2 3.41Å; N669-E672 PolarHBondContact ND2-OE2 3.36Å; N669-E672 VanDerWaalsContact ND2-OE2 3.13Å; N669-E672 PolarHBondContact O-N 3.48Å; N669-E672 PolarHBondContact OD1-N 2.91Å; N669-Q673 WeakPolarHBondContact O-CG 3.39Å; N669-Q673 PolarHBondContact O-N 3.47Å
670	S	85.6	Confident	89.2	Confident	84 Å²	84	48 Å²	48	59%	0.587	27%	0.267	S	S	*	.	S	Bend	trans	-65.2	-24.5	-175.9	56	0	0	0	0	114.9
671	L	83.8	Confident	89.1	Confident	50 Å²	50	45.3 Å²	45.3	26%	0.262	26%	0.26	S	S	.	.	S	Bend	trans	-86.9	-29.7	178	-64	172.4	0	0	0	112	L573 E577 N669 Q673	L573-L671 HydrophobicContact CD1-CB 4.41Å; E577-L671 HydrophobicContact CB-CD1 3.93Å; E577-L671 HydrophobicContact CG-CD1 3.61Å; N669-L671 VanDerWaalsContact C-N 3.27Å; N669-L671 PolarHBondContact O-N 3.15Å; N669-L671 WeakPolarHBondContact OD1-CA 3.43Å; N669-L671 WeakPolarHBondContact OD1-CB 3.41Å; N669-L671 PolarHBondContact OD1-N 2.84Å; L671-Q673 PolarHBondContact O-N 2.94Å
672	E	87.9	Confident	89	Confident	34 Å²	34	46.1 Å²	46.1	16%	0.159	26%	0.263	C	S	.	.	S	Bend	trans	-73.8	-7.8	172.3	-67.8	176.1	129.7	0	0	112.8	I584 L608 L668 N669	I584-E672 HydrophobicContact CD1-CB 3.84Å; I584-E672 HydrophobicContact CD1-CG 4.11Å; I584-E672 HydrophobicContact CG1-CB 4.17Å; I584-E672 HydrophobicContact CG1-CG 4.49Å; L608-E672 WeakPolarHBondContact CD1-O 3.43Å; L668-E672 WeakPolarHBondContact CA-OE2 3.27Å; L668-E672 HydrophobicContact CB-CB 4.02Å; L668-E672 HydrophobicContact CD2-CB 4.15Å; N669-E672 PolarHBondContact N-OE2 3.41Å; N669-E672 PolarHBondContact ND2-OE2 3.36Å; N669-E672 VanDerWaalsContact ND2-OE2 3.13Å; N669-E672 PolarHBondContact O-N 3.48Å; N669-E672 PolarHBondContact OD1-N 2.91Å
673	Q	92.7	Very high	89.2	Confident	22 Å²	22	48.2 Å²	48.2	10%	0.103	28%	0.277	C	S	.	.	S	Bend	trans	-84.5	122.9	-179	-70.9	-97.9	14.8	0	0	111.7	Y588 R660 A664 N669 L671 R675	Y588-Q673 VanDerWaalsContact OH-CA 3.3Å; Y588-Q673 WeakPolarHBondContact OH-CA 3.43Å; Y588-Q673 PolarHBondContact OH-OE1 3.18Å; R660-Q673 PolarHBondContact O-NE2 3.04Å; A664-Q673 VanDerWaalsContact N-NE2 3.15Å; N669-Q673 WeakPolarHBondContact O-CG 3.39Å; N669-Q673 PolarHBondContact O-N 3.47Å; L671-Q673 PolarHBondContact O-N 2.94Å; Q673-R675 PolarHBondContact O-N 2.9Å
674	V	94.5	Very high	89.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	133.3	174.7	-66.6	0	0	0	0	111.1	Y588 V599 L608 A610 L656 L659 I677	Y588-V674 HydrophobicContact CE2-CB 4.32Å; Y588-V674 HydrophobicContact CE2-CG1 3.76Å; Y588-V674 HydrophobicContact CE2-CG2 3.77Å; Y588-V674 PolarHBondContact OH-N 3.37Å; V599-V674 HydrophobicContact CG1-CG1 4.14Å; V599-V674 HydrophobicContact CG2-CG1 4.2Å; L608-V674 HydrophobicContact CB-CG1 3.88Å; L608-V674 WeakPolarHBondContact O-CA 3.08Å; A610-V674 HydrophobicContact CB-CB 4.47Å; A610-V674 HydrophobicContact CB-CG1 3.93Å; L656-V674 HydrophobicContact CD1-CG2 4.13Å; L656-V674 WeakPolarHBondContact CD1-O 3.41Å; L659-V674 HydrophobicContact CD1-CG2 4.27Å; V674-I677 HydrophobicContact CG2-CG2 4.17Å
675	R	94.2	Very high	89.4	Confident	109 Å²	109	47.4 Å²	47.4	41%	0.411	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-31.3	-179.8	-70.6	-66.1	-179.8	158.9	-1.6	112.7	Y607 L608 L656 R660 Q673	Y607-R675 VanDerWaalsContact CB-CG 3.43Å; Y607-R675 HydrophobicContact CD2-CB 3.57Å; Y607-R675 HydrophobicContact CD2-CG 4.02Å; Y607-R675 HydrophobicContact CE2-CB 4.21Å; Y607-R675 HydrophobicContact CG-CB 3.9Å; Y607-R675 HydrophobicContact CG-CG 3.82Å; L608-R675 PolarHBondContact O-N 3.12Å; L656-R675 WeakPolarHBondContact CD2-O 3.42Å; R660-R675 PolarHBondContact NH2-O 3.26Å; Q673-R675 PolarHBondContact O-N 2.9Å
676	K	94.3	Very high	89	Confident	29 Å²	29	45.1 Å²	45.1	13%	0.126	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.9	-179.8	-66.3	176.5	-179.3	175.1	0	111.3	Y607 V609 A610 M713 S716 A717	Y607-K676 HydrophobicContact CE2-CD 4.31Å; Y607-K676 PolarHBondContact OH-NZ 3.13Å; V609-K676 WeakPolarHBondContact CA-O 3.2Å; V609-K676 HydrophobicContact CG1-CB 4.18Å; A610-K676 PolarHBondContact N-O 2.77Å; K676-M713 HydrophobicContact CB-CB 4.45Å; K676-M713 HydrophobicContact CB-SD 4.38Å; K676-M713 HydrophobicContact CD-CB 4.47Å; K676-M713 WeakPolarHBondContact CD-O 2.94Å; K676-M713 PolarHBondContact NZ-O 3.07Å; K676-S716 PolarHBondContact NZ-O 3.29Å; K676-S716 PolarHBondContact NZ-OG 3.23Å; K676-A717 WeakPolarHBondContact CE-O 3.32Å; K676-A717 PolarHBondContact NZ-O 2.99Å
677	I	96.6	Very high	89.1	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.072	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.2	179.1	64.8	174.5	0	0	0	111.8	A610 V612 K652 I655 L656 L659 V674 L679 M713	A610-I677 HydrophobicContact CB-CG2 4.29Å; A610-I677 CarbonylContact O-C 3.56Å; A610-I677 WeakPolarHBondContact O-CA 3.19Å; V612-I677 HydrophobicContact CG2-CB 4.25Å; V612-I677 HydrophobicContact CG2-CG2 4.18Å; K652-I677 WeakPolarHBondContact O-CD1 3.48Å; I655-I677 HydrophobicContact CB-CD1 3.92Å; I655-I677 HydrophobicContact CG2-CD1 3.68Å; L656-I677 HydrophobicContact CB-CD1 3.98Å; L656-I677 HydrophobicContact CB-CG1 4.33Å; L656-I677 HydrophobicContact CD1-CG2 3.98Å; L659-I677 HydrophobicContact CD1-CD1 4.48Å; L659-I677 HydrophobicContact CD1-CG2 3.93Å; V674-I677 HydrophobicContact CG2-CG2 4.17Å; I677-L679 HydrophobicContact CD1-CD2 3.87Å; I677-M713 VanDerWaalsContact C-SD 3.51Å
678	H	96.1	Very high	89.5	Confident	54 Å²	54	50.1 Å²	50.1	25%	0.25	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.4	163.7	176.2	80.3	0	0	0	109	A610 V611 V612 T709 M713	A610-H678 PolarHBondContact O-N 3.2Å; V611-H678 WeakPolarHBondContact CA-O 3.46Å; V612-H678 PolarHBondContact N-O 3.35Å; H678-T709 HydrophobicContact CB-CG2 3.64Å; H678-T709 VanDerWaalsContact ND1-CG2 3.31Å; H678-T709 WeakPolarHBondContact ND1-CG2 3.47Å; H678-M713 HydrophobicContact CB-CE 4.14Å; H678-M713 HydrophobicContact CB-SD 3.89Å; H678-M713 PolarHBondContact N-SD 3.1Å
679	L	96.1	Very high	89.6	Confident	8 Å²	8	50.5 Å²	50.5	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.1	176.8	-60.1	179.1	0	0	0	110	V612 C646 V651 K652 I655 I677	V612-L679 HydrophobicContact CB-CD2 3.91Å; V612-L679 HydrophobicContact CG1-CD2 3.88Å; V612-L679 WeakPolarHBondContact O-CA 3.2Å; C646-L679 HydrophobicContact CB-CB 3.66Å; C646-L679 HydrophobicContact CB-CD1 4.37Å; V651-L679 HydrophobicContact CG1-CD1 3.77Å; K652-L679 HydrophobicContact CB-CD1 4.44Å; K652-L679 HydrophobicContact CG-CD1 3.7Å; K652-L679 HydrophobicContact CG-CG 4Å; I655-L679 HydrophobicContact CB-CD2 4.46Å; I655-L679 HydrophobicContact CD1-CD1 3.79Å; I655-L679 HydrophobicContact CD1-CD2 3.69Å; I655-L679 HydrophobicContact CD1-CG 4.42Å; I655-L679 HydrophobicContact CG2-CD2 4.17Å; I677-L679 HydrophobicContact CD1-CD2 3.87Å
680	T	94.5	Very high	89.8	Confident	20 Å²	20	47.3 Å²	47.3	12%	0.123	25%	0.246	C	C	.	.			trans	-131.3	139.1	174.4	-169.9	0	0	0	0	111.4	V611 V612 V613 P614 F684 F706	V611-T680 HydrophobicContact CG1-CG2 3.9Å; V612-T680 PolarHBondContact O-N 3.4Å; V613-T680 WeakPolarHBondContact CA-O 3.5Å; V613-T680 HydrophobicContact CG2-CG2 3.8Å; P614-T680 WeakPolarHBondContact CD-O 3.36Å; T680-F684 HydrophobicContact CG2-CE1 4.31Å; T680-F706 HydrophobicContact CG2-CZ 4.27Å
681	T	91.1	Very high	89.7	Confident	27 Å²	27	43.7 Å²	43.7	17%	0.166	22%	0.219	C	C	.	.	S	Bend	trans	-85.4	-17.2	-179.1	57.1	0	0	0	0	113	L642 E643 P683	L642-T681 HydrophobicContact CB-CG2 3.73Å; L642-T681 WeakPolarHBondContact O-CG2 3.28Å; E643-T681 HydrophobicContact CB-CG2 4.23Å; E643-T681 HydrophobicContact CG-CG2 4.33Å; T681-P683 VanDerWaalsContact O-CD 3.31Å; T681-P683 WeakPolarHBondContact O-CD 3.4Å
682	K	91.7	Very high	89.6	Confident	129 Å²	129	42.5 Å²	42.5	56%	0.561	22%	0.215	S	C	*	.	S	Bend	trans	-83.8	112.7	-179.8	-70.5	-176.8	-178.8	177.1	0	109.2
683	P	92	Very high	88.7	Confident	59 Å²	59	41.9 Å²	41.9	38%	0.383	21%	0.213	S	C	.	.			trans	-61.7	147.6	174.9	-18.5	32.4	0	0	0	110.5	Q596 T681	Q596-P683 VanDerWaalsContact OE1-CB 3.27Å; T681-P683 VanDerWaalsContact O-CD 3.31Å; T681-P683 WeakPolarHBondContact O-CD 3.4Å
684	F	92.7	Very high	87.6	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.009	21%	0.211	C	C	.	.			trans	-68.8	131.2	166.3	-44.1	-33.3	0	0	0	107.7	Q596 V611 V613 T680 L690 L691 L702 F706	Q596-F684 HydrophobicContact CB-CD2 3.95Å; Q596-F684 HydrophobicContact CB-CE2 4.01Å; Q596-F684 PolarHBondContact NE2-O 2.98Å; V611-F684 HydrophobicContact CB-CZ 4.48Å; V611-F684 HydrophobicContact CG1-CE1 4.21Å; V611-F684 HydrophobicContact CG1-CZ 3.98Å; V613-F684 HydrophobicContact CG2-CD1 4.32Å; V613-F684 HydrophobicContact CG2-CE1 3.93Å; V613-F684 HydrophobicContact CG2-CE2 4.45Å; V613-F684 HydrophobicContact CG2-CZ 3.99Å; T680-F684 HydrophobicContact CG2-CE1 4.31Å; F684-L690 HydrophobicContact CB-CB 3.85Å; F684-L690 HydrophobicContact CB-CD1 4.47Å; F684-L690 HydrophobicContact CD1-CD1 3.99Å; F684-L690 HydrophobicContact CG-CB 4.44Å; F684-L691 HydrophobicContact CB-CD1 4.45Å; F684-L691 HydrophobicContact CB-CD2 3.95Å; F684-L691 HydrophobicContact CB-CG 3.89Å; F684-L691 WeakPolarHBondContact O-CD1 3.42Å; F684-L702 HydrophobicContact CD1-CD2 3.78Å; F684-L702 HydrophobicContact CD2-CD2 4Å; F684-L702 HydrophobicContact CE1-CD2 3.8Å; F684-L702 HydrophobicContact CE2-CD2 4.02Å; F684-L702 HydrophobicContact CG-CD2 3.9Å; F684-L702 HydrophobicContact CZ-CD2 3.92Å; F684-F706 HydrophobicContact CD1-CE2 4.44Å; F684-F706 AromaticContact CE1-CE2 3.77Å; F684-F706 HydrophobicContact CE1-CE2 3.77Å; F684-F706 AromaticContact CE1-CZ 3.98Å; F684-F706 HydrophobicContact CE1-CZ 3.98Å; F684-F706 HydrophobicContact CZ-CE2 4.48Å
685	T	87.9	Confident	86.8	Confident	44 Å²	44	43.4 Å²	43.4	27%	0.27	22%	0.222	S	C	.	.			trans	-123.5	171.7	-176.9	66.4	0	0	0	0	111.5	E687 D688 L690 L691	T685-E687 VanDerWaalsContact CB-OE2 3.32Å; T685-E687 WeakPolarHBondContact CB-OE2 3.14Å; T685-D688 PolarHBondContact N-OD1 2.96Å; T685-D688 VanDerWaalsContact N-OD1 3.13Å; T685-D688 PolarHBondContact N-OD2 3.38Å; T685-D688 VanDerWaalsContact N-OD2 3.12Å; T685-D688 PolarHBondContact OG1-N 2.87Å; T685-D688 VanDerWaalsContact OG1-N 3.14Å; T685-D688 PolarHBondContact OG1-OD1 2.78Å; T685-D688 PolarHBondContact OG1-OD2 2.91Å; T685-L690 PolarHBondContact O-N 3.49Å; T685-L691 VanDerWaalsContact O-CB 3.3Å; T685-L691 WeakPolarHBondContact O-CB 3.26Å; T685-L691 PolarHBondContact O-N 3.03Å
686	I	78.2	Confident	86.1	Confident	34 Å²	34	41.2 Å²	41.2	17%	0.174	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-36.9	172.4	-74.8	179.1	0	0	0	109	T185 D688 G689 L691 T692 L695	T185-I686 HydrophobicContact CG2-CB 4.45Å; T185-I686 HydrophobicContact CG2-CG2 2.98Å; I686-D688 PolarHBondContact O-N 3.02Å; I686-G689 PolarHBondContact O-N 3.09Å; I686-L691 HydrophobicContact CG1-CB 4.06Å; I686-T692 WeakPolarHBondContact CG1-O 3.47Å; I686-L695 HydrophobicContact CD1-CD2 3.48Å; I686-L695 VanDerWaalsContact CD1-CD2 3.48Å; I686-L695 HydrophobicContact CD1-CG 4.3Å; I686-L695 HydrophobicContact CG1-CD2 3.89Å
687	E	80	Confident	85.7	Confident	165 Å²	165	41.5 Å²	41.5	77%	0.771	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-36.4	-175.1	-64.5	77.1	-172.3	0	0	112.5	T685 G689	T685-E687 VanDerWaalsContact CB-OE2 3.32Å; T685-E687 WeakPolarHBondContact CB-OE2 3.14Å; E687-G689 VanDerWaalsContact C-N 3.28Å
688	D	85.4	Confident	85.2	Confident	75 Å²	75	42 Å²	42	40%	0.401	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.4	173.4	64.2	24.7	0	0	0	113.8	T685 I686 L690	T685-D688 PolarHBondContact N-OD1 2.96Å; T685-D688 VanDerWaalsContact N-OD1 3.13Å; T685-D688 PolarHBondContact N-OD2 3.38Å; T685-D688 VanDerWaalsContact N-OD2 3.12Å; T685-D688 PolarHBondContact OG1-N 2.87Å; T685-D688 VanDerWaalsContact OG1-N 3.14Å; T685-D688 PolarHBondContact OG1-OD1 2.78Å; T685-D688 PolarHBondContact OG1-OD2 2.91Å; I686-D688 PolarHBondContact O-N 3.02Å; D688-L690 HydrophobicContact CB-CG 4.42Å; D688-L690 PolarHBondContact O-N 2.92Å; D688-L690 WeakPolarHBondContact OD1-CB 3.38Å; D688-L690 WeakPolarHBondContact OD1-CG 3.23Å; D688-L690 PolarHBondContact OD1-N 3.05Å
689	G	82.2	Confident	84.8	Confident	21 Å²	21	40.5 Å²	40.5	22%	0.216	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	10.2	-179.6	0	0	0	0	0	115	I686 E687 L691 N701	I686-G689 PolarHBondContact O-N 3.09Å; E687-G689 VanDerWaalsContact C-N 3.28Å; G689-L691 VanDerWaalsContact C-N 3.34Å; G689-N701 PolarHBondContact O-ND2 3.3Å
690	L	88.4	Confident	84.3	Confident	14 Å²	14	44 Å²	44	7%	0.073	23%	0.233	C	C	.	.	S	Bend	trans	-81.3	-18.2	175.9	-58.9	-179.9	0	0	0	112.2	F684 T685 D688 C698 N701 L702 R705	F684-L690 HydrophobicContact CB-CB 3.85Å; F684-L690 HydrophobicContact CB-CD1 4.47Å; F684-L690 HydrophobicContact CD1-CD1 3.99Å; F684-L690 HydrophobicContact CG-CB 4.44Å; T685-L690 PolarHBondContact O-N 3.49Å; D688-L690 HydrophobicContact CB-CG 4.42Å; D688-L690 PolarHBondContact O-N 2.92Å; D688-L690 WeakPolarHBondContact OD1-CB 3.38Å; D688-L690 WeakPolarHBondContact OD1-CG 3.23Å; D688-L690 PolarHBondContact OD1-N 3.05Å; L690-C698 WeakPolarHBondContact O-CB 3.39Å; L690-C698 PolarHBondContact O-N 3.15Å; L690-N701 HydrophobicContact CD2-CB 4.2Å; L690-L702 HydrophobicContact CB-CD2 4.03Å; L690-L702 HydrophobicContact CB-CG 4.33Å; L690-L702 HydrophobicContact CD1-CD2 4.26Å; L690-L702 HydrophobicContact CD2-CD2 4.11Å; L690-L702 HydrophobicContact CD2-CG 4.28Å; L690-L702 HydrophobicContact CG-CD2 4.37Å; L690-R705 HydrophobicContact CD1-CG 4.36Å; L690-R705 HydrophobicContact CD2-CB 3.91Å; L690-R705 HydrophobicContact CD2-CG 4.14Å
691	L	84.4	Confident	83.9	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.037	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-114.7	147	168.9	-59.4	174.4	0	0	0	112.3	F684 T685 I686 G689 L695 K696	F684-L691 HydrophobicContact CB-CD1 4.45Å; F684-L691 HydrophobicContact CB-CD2 3.95Å; F684-L691 HydrophobicContact CB-CG 3.89Å; F684-L691 WeakPolarHBondContact O-CD1 3.42Å; T685-L691 VanDerWaalsContact O-CB 3.3Å; T685-L691 WeakPolarHBondContact O-CB 3.26Å; T685-L691 PolarHBondContact O-N 3.03Å; I686-L691 HydrophobicContact CG1-CB 4.06Å; G689-L691 VanDerWaalsContact C-N 3.34Å; L691-L695 HydrophobicContact CD1-CD2 4.21Å; L691-K696 CarbonylContact C-O 3.52Å; L691-K696 WeakPolarHBondContact CA-O 3.32Å
692	T	81.1	Confident	84	Confident	26 Å²	26	45 Å²	45	16%	0.16	24%	0.237	C	C	.	.			trans	-70.1	162.7	166.4	73.4	0	0	0	0	110.7	I686 T694 L695 K696	I686-T692 WeakPolarHBondContact CG1-O 3.47Å; T692-T694 PolarHBondContact O-N 3.28Å; T692-T694 PolarHBondContact OG1-N 3.31Å; T692-T694 PolarHBondContact OG1-OG1 2.85Å; T692-L695 WeakPolarHBondContact O-CA 3.41Å; T692-L695 PolarHBondContact O-N 3Å; T692-K696 HydrophobicContact CG2-CB 4.16Å; T692-K696 PolarHBondContact N-O 3.1Å; T692-K696 WeakPolarHBondContact OG1-CB 3.48Å; T692-K696 PolarHBondContact OG1-N 3.23Å; T692-K696 VanDerWaalsContact OG1-N 3.15Å
693	P	69.4	Low	84	Confident	20 Å²	20	43.9 Å²	43.9	13%	0.13	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-23.8	172.9	-21.2	26.2	0	0	0	114.6	Y183 T185 P331 L695	Y183-P693 HydrophobicContact CD1-CB 3.47Å; Y183-P693 VanDerWaalsContact CD1-CB 3.47Å; Y183-P693 HydrophobicContact CD1-CG 3.18Å; Y183-P693 HydrophobicContact CE1-CB 3.57Å; Y183-P693 HydrophobicContact CE1-CG 3.48Å; Y183-P693 VanDerWaalsContact CE1-CG 3.48Å; Y183-P693 HydrophobicContact CG-CB 4.47Å; Y183-P693 HydrophobicContact CG-CG 3.75Å; T185-P693 HydrophobicContact CG2-CB 3.97Å; T185-P693 HydrophobicContact CG2-CG 3.72Å; T185-P693 WeakPolarHBondContact OG1-CG 3.47Å; P331-P693 HydrophobicContact CB-CB 4.48Å; P331-P693 HydrophobicContact CG-CB 3.8Å; P693-L695 VanDerWaalsContact C-N 3.28Å
694	T	68.8	Low	83.9	Confident	10 Å²	10	44.8 Å²	44.8	6%	0.061	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	16.1	173	63.7	0	0	0	0	113.2	H334 T692 K696	H334-T694 WeakPolarHBondContact CD2-CG2 3.31Å; H334-T694 VanDerWaalsContact NE2-CG2 3.32Å; H334-T694 WeakPolarHBondContact NE2-CG2 3.37Å; T692-T694 PolarHBondContact O-N 3.28Å; T692-T694 PolarHBondContact OG1-N 3.31Å; T692-T694 PolarHBondContact OG1-OG1 2.85Å; T694-K696 VanDerWaalsContact C-N 3.35Å; T694-K696 PolarHBondContact O-N 2.78Å
695	L	78	Confident	83.9	Confident	44 Å²	44	51.7 Å²	51.7	23%	0.23	26%	0.257	C	S	.	.	S	Bend	trans	64.3	25.8	176.7	-54.1	166.2	0	0	0	116.1	R378 I686 L691 T692 P693	R378-L695 HydrophobicContact CB-CB 4.49Å; R378-L695 PolarHBondContact NH1-O 2.88Å; I686-L695 HydrophobicContact CD1-CD2 3.48Å; I686-L695 VanDerWaalsContact CD1-CD2 3.48Å; I686-L695 HydrophobicContact CD1-CG 4.3Å; I686-L695 HydrophobicContact CG1-CD2 3.89Å; L691-L695 HydrophobicContact CD1-CD2 4.21Å; T692-L695 WeakPolarHBondContact O-CA 3.41Å; T692-L695 PolarHBondContact O-N 3Å; P693-L695 VanDerWaalsContact C-N 3.28Å
696	K	78.9	Confident	84.3	Confident	64 Å²	64	50.2 Å²	50.2	28%	0.278	25%	0.247	S	C	.	.			trans	-89.4	154.5	173.5	-57.8	178.3	-176.3	-177.9	0	111.2	S446 A447 L691 T692 T694 C698	S446-K696 VanDerWaalsContact C-CE 3.42Å; S446-K696 WeakPolarHBondContact O-CE 3.48Å; S446-K696 PolarHBondContact O-NZ 3Å; A447-K696 HydrophobicContact CB-CG 4.45Å; L691-K696 CarbonylContact C-O 3.52Å; L691-K696 WeakPolarHBondContact CA-O 3.32Å; T692-K696 HydrophobicContact CG2-CB 4.16Å; T692-K696 PolarHBondContact N-O 3.1Å; T692-K696 WeakPolarHBondContact OG1-CB 3.48Å; T692-K696 PolarHBondContact OG1-N 3.23Å; T692-K696 VanDerWaalsContact OG1-N 3.15Å; T694-K696 VanDerWaalsContact C-N 3.35Å; T694-K696 PolarHBondContact O-N 2.78Å; K696-C698 PolarHBondContact O-N 3.2Å
697	N	86.5	Confident	85	Confident	34 Å²	34	55.6 Å²	55.6	18%	0.182	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-59.8	122.9	172.2	-76.1	-15.7	0	0	0	111.6	E585 I597 R699 L702	E585-N697 PolarHBondContact OE2-ND2 2.58Å; I597-N697 PolarHBondContact O-ND2 3.34Å; N697-R699 PolarHBondContact O-N 3.3Å; N697-R699 VanDerWaalsContact O-N 3.14Å; N697-L702 HydrophobicContact CB-CD1 3.53Å
698	C	85.2	Confident	85.7	Confident	24 Å²	24	53.4 Å²	53.4	16%	0.162	26%	0.259	C	S	.	.			trans	-82.2	84.2	167.3	-171.3	0	0	0	0	108.7	L690 K696 L700 N701 L702	L690-C698 WeakPolarHBondContact O-CB 3.39Å; L690-C698 PolarHBondContact O-N 3.15Å; K696-C698 PolarHBondContact O-N 3.2Å; C698-L700 VanDerWaalsContact C-N 3.3Å; C698-L700 PolarHBondContact O-N 3.33Å; C698-N701 HydrophobicContact CB-CB 4.1Å; C698-N701 PolarHBondContact O-N 3.45Å; C698-N701 PolarHBondContact SG-ND2 2.84Å; C698-N701 VanDerWaalsContact SG-ND2 3.4Å; C698-L702 PolarHBondContact O-N 3.06Å
699	R	89	Confident	86.2	Confident	24 Å²	24	51.6 Å²	51.6	9%	0.091	25%	0.25	C	C	.	.	H	α-helix	trans	-53.7	-41.6	-168.4	-58.3	-175.5	71	72.8	9.1	113.7	H569 P581 E585 Y598 V599 N697 L702 R703	H569-R699 WeakPolarHBondContact ND1-CD 3.25Å; P581-R699 VanDerWaalsContact CB-NH2 3.29Å; E585-R699 IonicContact OE1-CZ 2.76Å; E585-R699 IonicContact OE1-NH1 2.76Å; E585-R699 PolarHBondContact OE1-NH1 3.04Å; E585-R699 IonicContact OE1-NH2 3.85Å; E585-R699 IonicContact OE2-NH1 2.78Å; E585-R699 PolarHBondContact OE2-NH1 3Å; Y598-R699 HydrophobicContact CE2-CB 4.05Å; Y598-R699 HydrophobicContact CE2-CG 4.15Å; V599-R699 PolarHBondContact O-NH2 2.85Å; N697-R699 PolarHBondContact O-N 3.3Å; N697-R699 VanDerWaalsContact O-N 3.14Å; R699-L702 PolarHBondContact O-N 3.23Å; R699-R703 VanDerWaalsContact O-CB 3.3Å; R699-R703 WeakPolarHBondContact O-CB 3.46Å; R699-R703 PolarHBondContact O-N 3.02Å
700	L	84.1	Confident	86.8	Confident	81 Å²	81	50.8 Å²	50.8	42%	0.424	24%	0.241	S	C	.	.	H	α-helix	trans	-62.8	-44.7	177.5	-176.2	65.5	0	0	0	111.8	C698 R703 N704	C698-L700 VanDerWaalsContact C-N 3.3Å; C698-L700 PolarHBondContact O-N 3.33Å; L700-R703 PolarHBondContact O-N 2.63Å; L700-N704 WeakPolarHBondContact O-CB 3.38Å; L700-N704 PolarHBondContact O-N 3.32Å; L700-N704 PolarHBondContact O-ND2 3.09Å
701	N	87.7	Confident	87	Confident	68 Å²	68	53.6 Å²	53.6	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-68.4	-40.7	179.1	-68.9	1.3	0	0	0	111.2	G689 L690 C698 N704 R705	G689-N701 PolarHBondContact O-ND2 3.3Å; L690-N701 HydrophobicContact CD2-CB 4.2Å; C698-N701 HydrophobicContact CB-CB 4.1Å; C698-N701 PolarHBondContact O-N 3.45Å; C698-N701 PolarHBondContact SG-ND2 2.84Å; C698-N701 VanDerWaalsContact SG-ND2 3.4Å; N701-N704 PolarHBondContact O-N 2.87Å; N701-R705 VanDerWaalsContact O-CB 3.24Å; N701-R705 WeakPolarHBondContact O-CB 3.38Å; N701-R705 PolarHBondContact O-N 3.38Å
702	L	92.4	Very high	87.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-48	174.3	-77.2	160.6	0	0	0	111.6	Y598 F684 L690 N697 C698 R699 N704 R705 F706	Y598-L702 HydrophobicContact CD1-CB 4.08Å; Y598-L702 HydrophobicContact CD2-CB 4.07Å; Y598-L702 HydrophobicContact CD2-CD1 3.76Å; Y598-L702 HydrophobicContact CD2-CG 4.5Å; Y598-L702 HydrophobicContact CE1-CB 4.18Å; Y598-L702 HydrophobicContact CE2-CB 4.15Å; Y598-L702 HydrophobicContact CE2-CD1 4.41Å; Y598-L702 HydrophobicContact CG-CB 4.03Å; Y598-L702 HydrophobicContact CG-CD1 4Å; Y598-L702 HydrophobicContact CG-CG 4.45Å; F684-L702 HydrophobicContact CD1-CD2 3.78Å; F684-L702 HydrophobicContact CD2-CD2 4Å; F684-L702 HydrophobicContact CE1-CD2 3.8Å; F684-L702 HydrophobicContact CE2-CD2 4.02Å; F684-L702 HydrophobicContact CG-CD2 3.9Å; F684-L702 HydrophobicContact CZ-CD2 3.92Å; L690-L702 HydrophobicContact CB-CD2 4.03Å; L690-L702 HydrophobicContact CB-CG 4.33Å; L690-L702 HydrophobicContact CD1-CD2 4.26Å; L690-L702 HydrophobicContact CD2-CD2 4.11Å; L690-L702 HydrophobicContact CD2-CG 4.28Å; L690-L702 HydrophobicContact CG-CD2 4.37Å; N697-L702 HydrophobicContact CB-CD1 3.53Å; C698-L702 PolarHBondContact O-N 3.06Å; R699-L702 PolarHBondContact O-N 3.23Å; L702-N704 VanDerWaalsContact C-N 3.31Å; L702-N704 PolarHBondContact O-N 3.37Å; L702-R705 PolarHBondContact O-N 3.21Å; L702-F706 HydrophobicContact CD2-CD2 4.23Å; L702-F706 HydrophobicContact CD2-CE2 3.89Å; L702-F706 WeakPolarHBondContact O-CD2 3.2Å; L702-F706 PolarHBondContact O-N 2.62Å
703	R	90.9	Very high	88	Confident	106 Å²	106	57.9 Å²	57.9	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-61.9	-38.4	177.2	-171.1	169.9	176.9	152.6	-3.4	112.5	D600 H602 R699 L700 R707	D600-R703 IonicContact OD1-NH1 3.66Å; H602-R703 PolarHBondContact CE1-NH1 3.01Å; H602-R703 VanDerWaalsContact CE1-NH1 3.29Å; H602-R703 PolarHBondContact CE1-NH2 3.09Å; H602-R703 PolarHBondContact ND1-NH1 3.34Å; H602-R703 PolarHBondContact ND1-NH2 2.83Å; H602-R703 VanDerWaalsContact ND1-NH2 3.11Å; H602-R703 PolarHBondContact NE2-NH2 3.11Å; R699-R703 VanDerWaalsContact O-CB 3.3Å; R699-R703 WeakPolarHBondContact O-CB 3.46Å; R699-R703 PolarHBondContact O-N 3.02Å; L700-R703 PolarHBondContact O-N 2.63Å; R703-R707 VanDerWaalsContact O-CA 3.26Å; R703-R707 WeakPolarHBondContact O-CA 3.45Å; R703-R707 WeakPolarHBondContact O-CB 3.34Å; R703-R707 PolarHBondContact O-N 3.14Å
704	N	90.1	Very high	89.1	Confident	78 Å²	78	57.8 Å²	57.8	42%	0.417	28%	0.28	S	S	.	.	H	α-helix	trans	-68.3	-41.4	174.2	-78.1	-30.7	0	0	0	112.1	L700 N701 L702 F706 R707	L700-N704 WeakPolarHBondContact O-CB 3.38Å; L700-N704 PolarHBondContact O-N 3.32Å; L700-N704 PolarHBondContact O-ND2 3.09Å; N701-N704 PolarHBondContact O-N 2.87Å; L702-N704 VanDerWaalsContact C-N 3.31Å; L702-N704 PolarHBondContact O-N 3.37Å; N704-F706 VanDerWaalsContact C-N 3.35Å; N704-F706 PolarHBondContact O-N 3.25Å; N704-R707 PolarHBondContact OD1-NH2 2.72Å
705	R	94.4	Very high	90	Very high	147 Å²	147	61.3 Å²	61.3	56%	0.555	31%	0.311	S	S	*	.	H	α-helix	trans	-66.3	-35.4	-178.9	179.8	61.2	174	94.2	-2	113.3	L690 N701 L702	L690-R705 HydrophobicContact CD1-CG 4.36Å; L690-R705 HydrophobicContact CD2-CB 3.91Å; L690-R705 HydrophobicContact CD2-CG 4.14Å; N701-R705 VanDerWaalsContact O-CB 3.24Å; N701-R705 WeakPolarHBondContact O-CB 3.38Å; N701-R705 PolarHBondContact O-N 3.38Å; L702-R705 PolarHBondContact O-N 3.21Å
706	F	95.5	Very high	90	Very high	13 Å²	13	62 Å²	62	6%	0.057	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	20.5	-176.3	-64.3	-73.1	0	0	0	112.7	V611 T680 F684 L702 N704 D708 T709 I710	V611-F706 HydrophobicContact CG1-CD1 4.17Å; V611-F706 HydrophobicContact CG1-CD2 4.18Å; V611-F706 HydrophobicContact CG1-CE1 3.93Å; V611-F706 HydrophobicContact CG1-CE2 3.95Å; V611-F706 HydrophobicContact CG1-CG 4.29Å; V611-F706 HydrophobicContact CG1-CZ 3.82Å; V611-F706 HydrophobicContact CG2-CB 4.01Å; V611-F706 HydrophobicContact CG2-CD1 4.22Å; V611-F706 HydrophobicContact CG2-CD2 4.13Å; V611-F706 HydrophobicContact CG2-CG 3.87Å; T680-F706 HydrophobicContact CG2-CZ 4.27Å; F684-F706 HydrophobicContact CD1-CE2 4.44Å; F684-F706 AromaticContact CE1-CE2 3.77Å; F684-F706 HydrophobicContact CE1-CE2 3.77Å; F684-F706 AromaticContact CE1-CZ 3.98Å; F684-F706 HydrophobicContact CE1-CZ 3.98Å; F684-F706 HydrophobicContact CZ-CE2 4.48Å; L702-F706 HydrophobicContact CD2-CD2 4.23Å; L702-F706 HydrophobicContact CD2-CE2 3.89Å; L702-F706 WeakPolarHBondContact O-CD2 3.2Å; L702-F706 PolarHBondContact O-N 2.62Å; N704-F706 VanDerWaalsContact C-N 3.35Å; N704-F706 PolarHBondContact O-N 3.25Å; F706-D708 PolarHBondContact O-N 3.01Å; F706-T709 PolarHBondContact O-N 2.9Å; F706-I710 HydrophobicContact CB-CD1 3.99Å; F706-I710 HydrophobicContact CB-CG1 4.24Å; F706-I710 WeakPolarHBondContact O-CB 3.3Å; F706-I710 VanDerWaalsContact O-CG1 3.26Å; F706-I710 WeakPolarHBondContact O-CG1 3.35Å; F706-I710 PolarHBondContact O-N 3.05Å
707	R	93.1	Very high	88.9	Confident	147 Å²	147	62.7 Å²	62.7	56%	0.555	34%	0.337	S	S	*	.	H	α-helix	trans	-52.2	-53.2	-173.6	-175.3	-172.6	-61.4	156.7	0.9	112.5	R703 N704 I710 S711	R703-R707 VanDerWaalsContact O-CA 3.26Å; R703-R707 WeakPolarHBondContact O-CA 3.45Å; R703-R707 WeakPolarHBondContact O-CB 3.34Å; R703-R707 PolarHBondContact O-N 3.14Å; N704-R707 PolarHBondContact OD1-NH2 2.72Å; R707-I710 PolarHBondContact O-N 3.35Å; R707-S711 WeakPolarHBondContact O-CB 3.48Å; R707-S711 PolarHBondContact O-N 3.42Å
708	D	95.1	Very high	87.5	Confident	119 Å²	119	64.8 Å²	64.8	64%	0.636	35%	0.351	S	S	*	.	H	α-helix	trans	-66.4	-44.7	-175.9	-53.9	-27.5	0	0	0	110.2	F706 I710 S711 D712	F706-D708 PolarHBondContact O-N 3.01Å; D708-I710 VanDerWaalsContact C-N 3.34Å; D708-I710 PolarHBondContact O-N 3.28Å; D708-S711 WeakPolarHBondContact O-CB 3.43Å; D708-S711 PolarHBondContact O-N 3.07Å; D708-S711 VanDerWaalsContact O-N 3.13Å; D708-D712 VanDerWaalsContact O-CG 3.27Å; D708-D712 PolarHBondContact O-N 3.32Å
709	T	94.9	Very high	85.6	Confident	36 Å²	36	74.1 Å²	74.1	22%	0.221	40%	0.399	C	S	.	.	H	α-helix	trans	-59.4	-41.2	176.6	-50.6	0	0	0	0	113.1	H678 F706 D712 M713	H678-T709 HydrophobicContact CB-CG2 3.64Å; H678-T709 VanDerWaalsContact ND1-CG2 3.31Å; H678-T709 WeakPolarHBondContact ND1-CG2 3.47Å; F706-T709 PolarHBondContact O-N 2.9Å; T709-D712 PolarHBondContact O-N 3.34Å; T709-M713 WeakPolarHBondContact O-CG 3.46Å; T709-M713 PolarHBondContact O-N 2.71Å
710	I	94.8	Very high	85.5	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.026	41%	0.414	C	S	.	.	H	α-helix	trans	-66.7	-44.1	176.4	-71	165.4	0	0	0	109.9	Y598 D600 V609 F706 R707 D708 D712 M713 Y714	Y598-I710 HydrophobicContact CE1-CD1 3.94Å; D600-I710 HydrophobicContact CB-CD1 4.31Å; D600-I710 VanDerWaalsContact OD2-CG2 3.27Å; D600-I710 WeakPolarHBondContact OD2-CG2 3.35Å; V609-I710 HydrophobicContact CG2-CG2 4.23Å; F706-I710 HydrophobicContact CB-CD1 3.99Å; F706-I710 HydrophobicContact CB-CG1 4.24Å; F706-I710 WeakPolarHBondContact O-CB 3.3Å; F706-I710 VanDerWaalsContact O-CG1 3.26Å; F706-I710 WeakPolarHBondContact O-CG1 3.35Å; F706-I710 PolarHBondContact O-N 3.05Å; R707-I710 PolarHBondContact O-N 3.35Å; D708-I710 VanDerWaalsContact C-N 3.34Å; D708-I710 PolarHBondContact O-N 3.28Å; I710-D712 VanDerWaalsContact C-N 3.32Å; I710-D712 PolarHBondContact O-N 2.99Å; I710-M713 HydrophobicContact CG1-CE 4.07Å; I710-M713 PolarHBondContact O-N 3.38Å; I710-Y714 HydrophobicContact CG2-CD2 3.82Å; I710-Y714 HydrophobicContact CG2-CE2 3.7Å; I710-Y714 VanDerWaalsContact O-CD2 3.31Å; I710-Y714 WeakPolarHBondContact O-CD2 3.36Å; I710-Y714 PolarHBondContact O-N 3.02Å; I710-Y714 VanDerWaalsContact O-N 3.07Å
711	S	92.6	Very high	85.5	Confident	72 Å²	72	76.4 Å²	76.4	50%	0.503	41%	0.414	S	S	.	.	H	α-helix	trans	-58.6	-43.9	176	-165.4	0	0	0	0	111.5	R707 D708 Y714 A715	R707-S711 WeakPolarHBondContact O-CB 3.48Å; R707-S711 PolarHBondContact O-N 3.42Å; D708-S711 WeakPolarHBondContact O-CB 3.43Å; D708-S711 PolarHBondContact O-N 3.07Å; D708-S711 VanDerWaalsContact O-N 3.13Å; S711-Y714 PolarHBondContact O-N 3.27Å; S711-A715 WeakPolarHBondContact O-CB 3.31Å; S711-A715 PolarHBondContact O-N 3.33Å
712	D	93.4	Very high	85.4	Confident	109 Å²	109	76.8 Å²	76.8	58%	0.583	42%	0.416	S	S	*	.	H	α-helix	trans	-64.8	-39.7	177.7	-67.9	-19.2	0	0	0	112.5	D708 T709 I710 Y714 A715 S716	D708-D712 VanDerWaalsContact O-CG 3.27Å; D708-D712 PolarHBondContact O-N 3.32Å; T709-D712 PolarHBondContact O-N 3.34Å; I710-D712 VanDerWaalsContact C-N 3.32Å; I710-D712 PolarHBondContact O-N 2.99Å; D712-Y714 VanDerWaalsContact C-N 3.27Å; D712-Y714 PolarHBondContact O-N 2.83Å; D712-A715 PolarHBondContact O-N 3.06Å; D712-S716 WeakPolarHBondContact O-CB 3.46Å; D712-S716 PolarHBondContact O-N 3.28Å; D712-S716 PolarHBondContact O-OG 3.46Å
713	M	93.9	Very high	85	Confident	15 Å²	15	81.4 Å²	81.4	7%	0.074	44%	0.441	C	S	.	.	H	α-helix	trans	-61.8	-37.7	174.4	-74.6	-169.8	-68.8	0	0	111.4	Y607 V609 K676 I677 H678 T709 I710 S716	Y607-M713 PolarHBondContact OH-O 3.14Å; V609-M713 HydrophobicContact CB-CB 4.28Å; V609-M713 HydrophobicContact CB-CE 3.86Å; V609-M713 HydrophobicContact CB-SD 4.06Å; V609-M713 HydrophobicContact CG1-CB 3.95Å; V609-M713 HydrophobicContact CG2-CE 3.77Å; K676-M713 HydrophobicContact CB-CB 4.45Å; K676-M713 HydrophobicContact CB-SD 4.38Å; K676-M713 HydrophobicContact CD-CB 4.47Å; K676-M713 WeakPolarHBondContact CD-O 2.94Å; K676-M713 PolarHBondContact NZ-O 3.07Å; I677-M713 VanDerWaalsContact C-SD 3.51Å; H678-M713 HydrophobicContact CB-CE 4.14Å; H678-M713 HydrophobicContact CB-SD 3.89Å; H678-M713 PolarHBondContact N-SD 3.1Å; T709-M713 WeakPolarHBondContact O-CG 3.46Å; T709-M713 PolarHBondContact O-N 2.71Å; I710-M713 HydrophobicContact CG1-CE 4.07Å; I710-M713 PolarHBondContact O-N 3.38Å; M713-S716 PolarHBondContact O-OG 2.97Å; M713-S716 VanDerWaalsContact O-OG 3.06Å
714	Y	92	Very high	84.7	Confident	18 Å²	18	79.8 Å²	79.8	7%	0.071	44%	0.443	C	S	.	.	H	α-helix	trans	-76.2	-35.6	176.5	-77.9	-54.7	0	0	0	113.9	D600 G601 H602 Q605 Y607 V609 I710 S711 D712	D600-Y714 PolarHBondContact O-OH 3.19Å; D600-Y714 VanDerWaalsContact O-OH 3.11Å; G601-Y714 VanDerWaalsContact CA-OH 3.3Å; G601-Y714 WeakPolarHBondContact CA-OH 3.24Å; H602-Y714 AromaticContact CD2-CD2 3.93Å; H602-Y714 AromaticContact CD2-CE2 3.49Å; H602-Y714 VanDerWaalsContact CD2-CE2 3.49Å; H602-Y714 WeakPolarHBondContact CD2-CE2 3.31Å; H602-Y714 AromaticContact NE2-CD2 3.95Å; H602-Y714 AromaticContact NE2-CE2 3.46Å; H602-Y714 WeakPolarHBondContact NE2-CE2 3.46Å; Q605-Y714 HydrophobicContact CB-CD1 3.96Å; Q605-Y714 HydrophobicContact CB-CE1 3.56Å; Q605-Y714 HydrophobicContact CG-CD1 3.47Å; Q605-Y714 VanDerWaalsContact CG-CD1 3.47Å; Q605-Y714 HydrophobicContact CG-CD2 4.2Å; Q605-Y714 HydrophobicContact CG-CE1 3.45Å; Q605-Y714 VanDerWaalsContact CG-CE1 3.45Å; Q605-Y714 HydrophobicContact CG-CE2 4.17Å; Q605-Y714 HydrophobicContact CG-CG 3.87Å; Y607-Y714 HydrophobicContact CD2-CD1 4.46Å; Y607-Y714 HydrophobicContact CD2-CE1 4.12Å; Y607-Y714 AromaticContact CE2-CD1 3.85Å; Y607-Y714 HydrophobicContact CE2-CD1 3.85Å; Y607-Y714 AromaticContact CE2-CE1 3.94Å; Y607-Y714 HydrophobicContact CE2-CE1 3.94Å; Y607-Y714 WeakPolarHBondContact O-CE1 3.42Å; Y607-Y714 PolarHBondContact O-OH 3.21Å; Y607-Y714 PolarHBondContact OH-O 3.41Å; V609-Y714 HydrophobicContact CG1-CD1 4Å; V609-Y714 HydrophobicContact CG1-CE1 3.61Å; V609-Y714 HydrophobicContact CG1-CE2 4.34Å; V609-Y714 HydrophobicContact CG2-CD2 4.39Å; V609-Y714 HydrophobicContact CG2-CE1 4.33Å; V609-Y714 HydrophobicContact CG2-CE2 3.67Å; I710-Y714 HydrophobicContact CG2-CD2 3.82Å; I710-Y714 HydrophobicContact CG2-CE2 3.7Å; I710-Y714 VanDerWaalsContact O-CD2 3.31Å; I710-Y714 WeakPolarHBondContact O-CD2 3.36Å; I710-Y714 PolarHBondContact O-N 3.02Å; I710-Y714 VanDerWaalsContact O-N 3.07Å; S711-Y714 PolarHBondContact O-N 3.27Å; D712-Y714 VanDerWaalsContact C-N 3.27Å; D712-Y714 PolarHBondContact O-N 2.83Å
715	A	87.5	Confident	84.3	Confident	84 Å²	84	79.9 Å²	79.9	69%	0.694	45%	0.445	S	S	*	.	H	α-helix	trans	-74.6	-30.2	-178.7	0	0	0	0	0	113.4	S711 D712	S711-A715 WeakPolarHBondContact O-CB 3.31Å; S711-A715 PolarHBondContact O-N 3.33Å; D712-A715 PolarHBondContact O-N 3.06Å
716	S	77.4	Confident	83.6	Confident	57 Å²	57	75.1 Å²	75.1	40%	0.399	44%	0.437	S	S	.	.	S	Bend	trans	-64.5	147.4	177.6	43.2	0	0	0	0	111.3	K676 D712 M713	K676-S716 PolarHBondContact NZ-O 3.29Å; K676-S716 PolarHBondContact NZ-OG 3.23Å; D712-S716 WeakPolarHBondContact O-CB 3.46Å; D712-S716 PolarHBondContact O-N 3.28Å; D712-S716 PolarHBondContact O-OG 3.46Å; M713-S716 PolarHBondContact O-OG 2.97Å; M713-S716 VanDerWaalsContact O-OG 3.06Å
717	A	56.7	Low	82.6	Confident	80 Å²	80	79.9 Å²	79.9	66%	0.661	47%	0.467	S	S	*	.			trans	-59.4	148	174.2	0	0	0	0	0	110.8	K676 N719	K676-A717 WeakPolarHBondContact CE-O 3.32Å; K676-A717 PolarHBondContact NZ-O 2.99Å; A717-N719 PolarHBondContact O-N 2.84Å
718	V	56.9	Low	81.8	Confident	78 Å²	78	74.3 Å²	74.3	47%	0.473	46%	0.459	S	S	.	.			trans	-83	108.9	169.5	-176.4	0	0	0	0	106.2	Y607	Y607-V718 HydrophobicContact CD1-CG2 4.1Å; Y607-V718 HydrophobicContact CE1-CG2 3.38Å
719	N	46.2	Very low	80.6	Confident	219 Å²	219	70.3 Å²	70.3	100%	1.171	44%	0.443	S	S	*	.			trans	-69.1	0	171.9	-77.1	-11.6	0	0	0	111.7	A717	A717-N719 PolarHBondContact O-N 2.84Å

Retrieved 719 of 719 residues in 461 ms (Link to these results)

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