A0A5K4FFX5_SCHMA Loading...

Guanylate kinase-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FFX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 666 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	30	Very low	36.4	Very low	217 Å²	217	115.2 Å²	115.2	100%	1.069	62%	0.617	S	S	*	*				0	7	0	-83.9	-71.3	-164.4	0	0	113.3
2	S	28.5	Very low	37.7	Very low	106 Å²	106	117.8 Å²	117.8	74%	0.741	62%	0.619	S	S	*	*			trans	-96.4	12.7	-176.5	52.2	0	0	0	0	115.3
3	T	30.9	Very low	38.9	Very low	123 Å²	123	113.2 Å²	113.2	76%	0.755	59%	0.594	S	S	*	*	S	Bend	trans	-106.2	3.7	-175.8	52.2	0	0	0	0	114.5
4	L	28.5	Very low	40.1	Very low	101 Å²	101	108 Å²	108	53%	0.529	57%	0.567	S	S	.	*	S	Bend	trans	-102.5	-2.4	-178	-77	162.9	0	0	0	114.2	E7	L4-E7 VanDerWaalsContact CD2-OE1 3.26Å; L4-E7 WeakPolarHBondContact CD2-OE1 3.3Å
5	T	33.6	Very low	41.5	Very low	123 Å²	123	113.7 Å²	113.7	76%	0.755	58%	0.578	S	S	*	*	S	Bend	trans	-96.7	-10.5	-177.5	50.7	0	0	0	0	114.6	E7	T5-E7 VanDerWaalsContact C-N 3.26Å
6	E	34.6	Very low	42.8	Very low	179 Å²	179	111.3 Å²	111.3	84%	0.836	57%	0.567	S	S	*	*	S	Bend	trans	-83.6	-4.9	169.7	-75	-174.4	162.3	0	0	112.6	N8	E6-N8 PolarHBondContact O-N 2.93Å
7	E	35.5	Very low	43.7	Very low	128 Å²	128	106.1 Å²	106.1	60%	0.598	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	113	172.2	-71.8	-173.2	160.2	0	0	110.3	L4 T5	L4-E7 VanDerWaalsContact CD2-OE1 3.26Å; L4-E7 WeakPolarHBondContact CD2-OE1 3.3Å; T5-E7 VanDerWaalsContact C-N 3.26Å
8	N	42.3	Very low	44.3	Very low	80 Å²	80	107.4 Å²	107.4	43%	0.428	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	82.9	23.4	158.6	-57.9	-31.5	0	0	0	118.9	E6 C10 L11 K12	E6-N8 PolarHBondContact O-N 2.93Å; N8-C10 PolarHBondContact O-N 2.98Å; N8-L11 HydrophobicContact CB-CB 4.12Å; N8-L11 HydrophobicContact CB-CD1 4.18Å; N8-L11 HydrophobicContact CB-CG 4.42Å; N8-L11 VanDerWaalsContact CG-CD1 3.5Å; N8-L11 PolarHBondContact O-N 2.93Å; N8-L11 WeakPolarHBondContact OD1-CD1 3.46Å; N8-K12 PolarHBondContact O-N 3.09Å
9	H	43.1	Very low	45.1	Very low	137 Å²	137	107.7 Å²	107.7	63%	0.634	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-33.1	157.4	-107.9	-73	0	0	0	111.7	K12	H9-K12 PolarHBondContact CE1-NZ 2.98Å; H9-K12 VanDerWaalsContact CE1-NZ 3.33Å; H9-K12 PolarHBondContact NE2-NZ 3.47Å
10	C	45.3	Very low	46.1	Very low	37 Å²	37	106.7 Å²	106.7	25%	0.25	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-57.4	-57.5	172.2	-70.7	0	0	0	0	111.1	N8 K12 N13 F25	N8-C10 PolarHBondContact O-N 2.98Å; C10-K12 PolarHBondContact O-N 2.93Å; C10-K12 VanDerWaalsContact O-N 3.11Å; C10-N13 PolarHBondContact O-N 3.36Å; C10-F25 VanDerWaalsContact C-CE2 3.48Å; C10-F25 HydrophobicContact CB-CZ 3.86Å; C10-F25 WeakPolarHBondContact O-CE2 3.35Å; C10-F25 WeakPolarHBondContact O-CZ 3.3Å
11	L	48.3	Very low	47	Very low	36 Å²	36	105.8 Å²	105.8	19%	0.188	55%	0.551	C	S	.	*	G	3₁₀ helix	trans	-63.9	-18.7	-174.1	-69.7	176.5	0	0	0	115.6	N8 N13 L14 L39	N8-L11 HydrophobicContact CB-CB 4.12Å; N8-L11 HydrophobicContact CB-CD1 4.18Å; N8-L11 HydrophobicContact CB-CG 4.42Å; N8-L11 VanDerWaalsContact CG-CD1 3.5Å; N8-L11 PolarHBondContact O-N 2.93Å; N8-L11 WeakPolarHBondContact OD1-CD1 3.46Å; L11-N13 PolarHBondContact O-N 3.22Å; L11-L14 HydrophobicContact CD2-CD2 4.33Å; L11-L14 VanDerWaalsContact O-CB 3.3Å; L11-L14 WeakPolarHBondContact O-CB 3.46Å; L11-L14 PolarHBondContact O-N 2.8Å; L11-L39 HydrophobicContact CD2-CD1 3.59Å; L11-L39 HydrophobicContact CD2-CG 4.36Å
12	K	52.2	Low	48.7	Very low	147 Å²	147	97.6 Å²	97.6	64%	0.639	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-55.8	-26.5	176.2	-77.4	178.9	-179.5	171	0	113	N8 H9 C10	N8-K12 PolarHBondContact O-N 3.09Å; H9-K12 PolarHBondContact CE1-NZ 2.98Å; H9-K12 VanDerWaalsContact CE1-NZ 3.33Å; H9-K12 PolarHBondContact NE2-NZ 3.47Å; C10-K12 PolarHBondContact O-N 2.93Å; C10-K12 VanDerWaalsContact O-N 3.11Å
13	N	52.7	Low	50.9	Low	57 Å²	57	92.9 Å²	92.9	31%	0.305	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-92.7	-1.7	-179.3	-68	-6.1	0	0	0	113.8	C10 L11 R15 F25 S26	C10-N13 PolarHBondContact O-N 3.36Å; L11-N13 PolarHBondContact O-N 3.22Å; N13-R15 PolarHBondContact O-N 3.19Å; N13-F25 HydrophobicContact CB-CE2 4.49Å; N13-S26 WeakPolarHBondContact CB-O 3.13Å; N13-S26 PolarHBondContact ND2-O 3.36Å
14	L	55.9	Low	52.6	Low	41 Å²	41	90.4 Å²	90.4	22%	0.215	46%	0.461	C	S	.	.			trans	-73.3	116	179.1	-165.4	83.6	0	0	0	110	L11 N16 F23 F25 L39 I43	L11-L14 HydrophobicContact CD2-CD2 4.33Å; L11-L14 VanDerWaalsContact O-CB 3.3Å; L11-L14 WeakPolarHBondContact O-CB 3.46Å; L11-L14 PolarHBondContact O-N 2.8Å; L14-N16 WeakPolarHBondContact CD2-OD1 3.3Å; L14-N16 WeakPolarHBondContact CG-OD1 3.33Å; L14-F23 HydrophobicContact CD1-CD1 4.17Å; L14-F23 HydrophobicContact CD2-CD1 4.37Å; L14-F23 HydrophobicContact CD2-CE1 4.42Å; L14-F23 HydrophobicContact CG-CD1 4.4Å; L14-F25 HydrophobicContact CB-CD2 4.02Å; L14-F25 HydrophobicContact CB-CE2 4.46Å; L14-F25 HydrophobicContact CD1-CB 4.2Å; L14-F25 HydrophobicContact CD1-CD2 3.68Å; L14-F25 HydrophobicContact CD1-CG 4.34Å; L14-F25 HydrophobicContact CG-CD2 4.49Å; L14-L39 HydrophobicContact CD1-CD1 4.12Å; L14-L39 HydrophobicContact CD1-CD2 4.1Å; L14-L39 HydrophobicContact CD1-CG 4.21Å; L14-I43 HydrophobicContact CD1-CD1 4.43Å
15	R	60.9	Low	54.6	Low	194 Å²	194	85.7 Å²	85.7	73%	0.732	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.9	172.2	-65.1	-177.9	-179.4	177.3	1.5	109.6	N13 H24	N13-R15 PolarHBondContact O-N 3.19Å; R15-H24 HydrophobicContact CB-CB 4.41Å; R15-H24 PolarHBondContact N-O 2.77Å; R15-H24 PolarHBondContact O-N 3.5Å
16	N	63.1	Low	56.2	Low	74 Å²	74	81 Å²	81	40%	0.396	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145	-178.6	-57.4	-3.4	0	0	0	110.3	L14 S22 F23	L14-N16 WeakPolarHBondContact CD2-OD1 3.3Å; L14-N16 WeakPolarHBondContact CG-OD1 3.33Å; N16-S22 WeakPolarHBondContact CA-O 3.48Å; N16-F23 HydrophobicContact CB-CD1 4.39Å; N16-F23 HydrophobicContact CB-CE1 4.16Å; N16-F23 HydrophobicContact CB-CZ 4.42Å; N16-F23 VanDerWaalsContact CG-CD1 3.4Å; N16-F23 WeakPolarHBondContact ND2-CE1 3.39Å; N16-F23 WeakPolarHBondContact OD1-CD1 3.01Å; N16-F23 WeakPolarHBondContact OD1-CE1 3.32Å
17	S	57.4	Low	57.6	Low	23 Å²	23	79.9 Å²	79.9	16%	0.161	40%	0.403	C	S	.	.			trans	-65.4	151.5	161.2	55.7	0	0	0	0	110.5	N19 N20 Q21 S22	S17-N19 PolarHBondContact O-N 2.74Å; S17-N20 PolarHBondContact O-N 3.24Å; S17-N20 PolarHBondContact OG-N 3.2Å; S17-Q21 PolarHBondContact OG-N 3.19Å; S17-S22 WeakPolarHBondContact CB-OG 3.36Å; S17-S22 PolarHBondContact N-O 3.36Å; S17-S22 PolarHBondContact OG-N 3.36Å; S17-S22 PolarHBondContact OG-O 3.46Å; S17-S22 PolarHBondContact OG-OG 2.93Å
18	P	55.3	Low	58.9	Low	131 Å²	131	74 Å²	74	85%	0.851	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-25.2	173.4	20.2	-31.6	0	0	0	113.8
19	N	59.8	Low	59.9	Low	113 Å²	113	74 Å²	74	60%	0.604	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	3.2	-180	-62.3	-2.7	0	0	0	114.1	S17 Q21	S17-N19 PolarHBondContact O-N 2.74Å; N19-Q21 HydrophobicContact CB-CB 4.47Å; N19-Q21 HydrophobicContact CB-CG 4.07Å; N19-Q21 PolarHBondContact O-N 3.25Å; N19-Q21 VanDerWaalsContact O-N 3.13Å
20	N	63.4	Low	61	Low	87 Å²	87	67.6 Å²	67.6	47%	0.465	35%	0.347	S	S	.	.	S	Bend	trans	49.7	33.1	-170.9	-72.8	-11.5	0	0	0	113.9	S17 F23	S17-N20 PolarHBondContact O-N 3.24Å; S17-N20 PolarHBondContact OG-N 3.2Å; N20-F23 HydrophobicContact CB-CE2 3.98Å; N20-F23 HydrophobicContact CB-CZ 4.1Å; N20-F23 WeakPolarHBondContact O-CE2 3.32Å
21	Q	65.6	Low	61.8	Low	88 Å²	88	68.3 Å²	68.3	41%	0.411	35%	0.353	S	S	.	.			trans	-97.4	-30.7	177.5	-75.9	177.8	-22	0	0	112.1	S17 N19 T49 S50	S17-Q21 PolarHBondContact OG-N 3.19Å; N19-Q21 HydrophobicContact CB-CB 4.47Å; N19-Q21 HydrophobicContact CB-CG 4.07Å; N19-Q21 PolarHBondContact O-N 3.25Å; N19-Q21 VanDerWaalsContact O-N 3.13Å; Q21-T49 PolarHBondContact O-N 3.45Å; Q21-T49 PolarHBondContact O-OG1 3.18Å; Q21-S50 PolarHBondContact O-N 2.88Å
22	S	65.8	Low	62.3	Low	45 Å²	45	70.5 Å²	70.5	32%	0.315	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.4	176.3	72.4	0	0	0	0	112	N16 S17 S50	N16-S22 WeakPolarHBondContact CA-O 3.48Å; S17-S22 WeakPolarHBondContact CB-OG 3.36Å; S17-S22 PolarHBondContact N-O 3.36Å; S17-S22 PolarHBondContact OG-N 3.36Å; S17-S22 PolarHBondContact OG-O 3.46Å; S17-S22 PolarHBondContact OG-OG 2.93Å; S22-S50 CarbonylContact C-O 3.15Å; S22-S50 VanDerWaalsContact CA-O 3.27Å; S22-S50 WeakPolarHBondContact CA-O 3.49Å
23	F	74.3	Confident	62.4	Low	7 Å²	7	66.3 Å²	66.3	3%	0.031	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133.1	175.6	-75.8	-109.3	0	0	0	109.7	L14 N16 N20 I43 L48 S50 L51 N52	L14-F23 HydrophobicContact CD1-CD1 4.17Å; L14-F23 HydrophobicContact CD2-CD1 4.37Å; L14-F23 HydrophobicContact CD2-CE1 4.42Å; L14-F23 HydrophobicContact CG-CD1 4.4Å; N16-F23 HydrophobicContact CB-CD1 4.39Å; N16-F23 HydrophobicContact CB-CE1 4.16Å; N16-F23 HydrophobicContact CB-CZ 4.42Å; N16-F23 VanDerWaalsContact CG-CD1 3.4Å; N16-F23 WeakPolarHBondContact ND2-CE1 3.39Å; N16-F23 WeakPolarHBondContact OD1-CD1 3.01Å; N16-F23 WeakPolarHBondContact OD1-CE1 3.32Å; N20-F23 HydrophobicContact CB-CE2 3.98Å; N20-F23 HydrophobicContact CB-CZ 4.1Å; N20-F23 WeakPolarHBondContact O-CE2 3.32Å; F23-I43 HydrophobicContact CD1-CD1 3.77Å; F23-I43 HydrophobicContact CD1-CG1 3.83Å; F23-I43 HydrophobicContact CD1-CG2 4.11Å; F23-I43 HydrophobicContact CD2-CG2 4.05Å; F23-I43 HydrophobicContact CE1-CB 4.21Å; F23-I43 HydrophobicContact CE1-CD1 4.02Å; F23-I43 HydrophobicContact CE1-CG1 3.53Å; F23-I43 HydrophobicContact CE1-CG2 3.88Å; F23-I43 HydrophobicContact CE2-CG2 3.76Å; F23-I43 HydrophobicContact CG-CD1 4.44Å; F23-I43 HydrophobicContact CG-CG2 4.19Å; F23-I43 HydrophobicContact CZ-CB 4.3Å; F23-I43 HydrophobicContact CZ-CG1 4.11Å; F23-I43 HydrophobicContact CZ-CG2 3.69Å; F23-L48 HydrophobicContact CB-CD1 4.12Å; F23-L48 HydrophobicContact CD2-CD1 3.07Å; F23-L48 HydrophobicContact CE2-CD1 3.69Å; F23-L48 HydrophobicContact CG-CD1 3.91Å; F23-S50 PolarHBondContact N-O 3.29Å; F23-L51 HydrophobicContact CB-CD1 4.03Å; F23-L51 WeakPolarHBondContact O-CA 3.34Å; F23-N52 PolarHBondContact O-N 2.94Å
24	H	67.8	Low	62.7	Low	71 Å²	71	68.2 Å²	68.2	33%	0.329	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.7	175.6	-175	-74.3	0	0	0	109.6	R15 S26 N52	R15-H24 HydrophobicContact CB-CB 4.41Å; R15-H24 PolarHBondContact N-O 2.77Å; R15-H24 PolarHBondContact O-N 3.5Å; H24-S26 PolarHBondContact CE1-OG 3.16Å; H24-S26 VanDerWaalsContact CE1-OG 3.29Å; H24-N52 HydrophobicContact CB-CB 4.33Å; H24-N52 VanDerWaalsContact CD2-CB 3.47Å; H24-N52 WeakPolarHBondContact CD2-CB 3.25Å; H24-N52 PolarHBondContact CD2-ND2 3.37Å; H24-N52 PolarHBondContact NE2-ND2 3.16Å
25	F	70.7	Confident	63	Low	1 Å²	1	69.4 Å²	69.4	0%	0.004	37%	0.371	C	S	.	.			trans	-138.5	110.5	178.3	-168.3	-92.5	0	0	0	108.6	C10 N13 L14 L30 L39 N52 L53 N56	C10-F25 VanDerWaalsContact C-CE2 3.48Å; C10-F25 HydrophobicContact CB-CZ 3.86Å; C10-F25 WeakPolarHBondContact O-CE2 3.35Å; C10-F25 WeakPolarHBondContact O-CZ 3.3Å; N13-F25 HydrophobicContact CB-CE2 4.49Å; L14-F25 HydrophobicContact CB-CD2 4.02Å; L14-F25 HydrophobicContact CB-CE2 4.46Å; L14-F25 HydrophobicContact CD1-CB 4.2Å; L14-F25 HydrophobicContact CD1-CD2 3.68Å; L14-F25 HydrophobicContact CD1-CG 4.34Å; L14-F25 HydrophobicContact CG-CD2 4.49Å; F25-L30 HydrophobicContact CD1-CD1 3.53Å; F25-L30 HydrophobicContact CD1-CG 4.23Å; F25-L30 HydrophobicContact CE1-CD1 3.45Å; F25-L30 VanDerWaalsContact CE1-CD1 3.45Å; F25-L30 HydrophobicContact CE1-CD2 3.95Å; F25-L30 HydrophobicContact CE1-CG 3.62Å; F25-L30 HydrophobicContact CZ-CD1 4.49Å; F25-L30 HydrophobicContact CZ-CD2 4.33Å; F25-L30 HydrophobicContact CZ-CG 4.44Å; F25-L39 HydrophobicContact CD2-CD1 3.71Å; F25-L39 HydrophobicContact CD2-CD2 4.47Å; F25-L39 HydrophobicContact CE1-CD1 4.43Å; F25-L39 HydrophobicContact CE2-CD1 3.46Å; F25-L39 VanDerWaalsContact CE2-CD1 3.46Å; F25-L39 HydrophobicContact CG-CD1 4.25Å; F25-L39 HydrophobicContact CG-CD2 4.35Å; F25-L39 HydrophobicContact CZ-CD1 3.89Å; F25-N52 PolarHBondContact N-O 3.07Å; F25-N52 VanDerWaalsContact O-O 3.09Å; F25-L53 HydrophobicContact CB-CD2 4.15Å; F25-L53 WeakPolarHBondContact O-CA 3.39Å; F25-N56 WeakPolarHBondContact CD1-OD1 3.46Å; F25-N56 WeakPolarHBondContact CE1-OD1 3.38Å; F25-N56 PolarHBondContact O-ND2 2.9Å
26	S	65.6	Low	63	Low	26 Å²	26	60.6 Å²	60.6	18%	0.182	34%	0.338	C	S	.	.			trans	-129.1	157.3	-179.6	62.4	0	0	0	0	110.9	N13 H24 G28 S54	N13-S26 WeakPolarHBondContact CB-O 3.13Å; N13-S26 PolarHBondContact ND2-O 3.36Å; H24-S26 PolarHBondContact CE1-OG 3.16Å; H24-S26 VanDerWaalsContact CE1-OG 3.29Å; S26-G28 PolarHBondContact O-N 2.86Å; S26-G28 VanDerWaalsContact O-N 3.16Å; S26-S54 WeakPolarHBondContact CA-O 3.38Å
27	E	64.7	Low	63	Low	154 Å²	154	59.9 Å²	59.9	72%	0.72	33%	0.334	S	S	*	.	S	Bend	trans	63.3	16	175	-51.7	179	171.7	0	0	114.6	S55	E27-S55 WeakPolarHBondContact CA-O 3.32Å; E27-S55 PolarHBondContact N-O 3Å
28	G	63.6	Low	63.2	Low	6 Å²	6	64.1 Å²	64.1	6%	0.062	35%	0.351	C	S	.	.			trans	-81.5	157.8	172.9	0	0	0	0	0	112.1	S26 L30 N56	S26-G28 PolarHBondContact O-N 2.86Å; S26-G28 VanDerWaalsContact O-N 3.16Å; G28-L30 PolarHBondContact O-N 3.21Å; G28-N56 WeakPolarHBondContact CA-OD1 3.45Å; G28-N56 PolarHBondContact N-OD1 3.37Å; G28-N56 CarbonylContact O-C 3.57Å; G28-N56 VanDerWaalsContact O-CA 3.25Å; G28-N56 WeakPolarHBondContact O-CA 3.31Å; G28-N56 PolarHBondContact O-OD1 3.49Å
29	N	63.4	Low	63.5	Low	78 Å²	78	58.2 Å²	58.2	42%	0.417	31%	0.312	S	S	.	.			trans	-94.6	70.3	169	-172.1	16.2	0	0	0	109.6	S31	N29-S31 PolarHBondContact O-N 3.46Å; N29-S31 VanDerWaalsContact O-N 3.13Å; N29-S31 WeakPolarHBondContact OD1-CB 3.38Å; N29-S31 PolarHBondContact OD1-OG 3.49Å
30	L	65	Low	63.6	Low	3 Å²	3	53 Å²	53	2%	0.016	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	29	175.4	-61.8	173.7	0	0	0	111.9	F25 G28 N32 D35 L36 L53 N56 L58	F25-L30 HydrophobicContact CD1-CD1 3.53Å; F25-L30 HydrophobicContact CD1-CG 4.23Å; F25-L30 HydrophobicContact CE1-CD1 3.45Å; F25-L30 VanDerWaalsContact CE1-CD1 3.45Å; F25-L30 HydrophobicContact CE1-CD2 3.95Å; F25-L30 HydrophobicContact CE1-CG 3.62Å; F25-L30 HydrophobicContact CZ-CD1 4.49Å; F25-L30 HydrophobicContact CZ-CD2 4.33Å; F25-L30 HydrophobicContact CZ-CG 4.44Å; G28-L30 PolarHBondContact O-N 3.21Å; L30-N32 PolarHBondContact O-N 3.21Å; L30-D35 HydrophobicContact CD2-CB 3.66Å; L30-L36 HydrophobicContact CD1-CG 4.23Å; L30-L53 HydrophobicContact CD1-CD2 4.3Å; L30-N56 HydrophobicContact CB-CB 4.14Å; L30-N56 HydrophobicContact CD1-CB 3.91Å; L30-N56 HydrophobicContact CG-CB 4.2Å; L30-N56 PolarHBondContact N-O 3.32Å; L30-N56 VanDerWaalsContact N-O 3.09Å; L30-L58 HydrophobicContact CB-CD2 3.51Å; L30-L58 HydrophobicContact CD1-CD2 4.25Å
31	S	62	Low	63.6	Low	53 Å²	53	55.2 Å²	55.2	37%	0.371	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.9	-178.3	56.8	0	0	0	0	112.7	N29	N29-S31 PolarHBondContact O-N 3.46Å; N29-S31 VanDerWaalsContact O-N 3.13Å; N29-S31 WeakPolarHBondContact OD1-CB 3.38Å; N29-S31 PolarHBondContact OD1-OG 3.49Å
32	N	58.3	Low	63.4	Low	81 Å²	81	56.3 Å²	56.3	43%	0.433	30%	0.301	S	S	.	.	S	Bend	trans	-93.5	126.8	172.6	-158.7	0	0	0	0	110.1	L30 N34 D35	L30-N32 PolarHBondContact O-N 3.21Å; N32-N34 PolarHBondContact O-N 3.09Å; N32-N34 VanDerWaalsContact O-N 3.09Å; N32-D35 PolarHBondContact O-N 3.37Å
33	S	55.8	Low	63.1	Low	59 Å²	59	54.6 Å²	54.6	41%	0.413	29%	0.288	S	S	.	.	H	α-helix	trans	-54	-32	178.8	60.4	0	0	0	0	112.5	D35 L36 I37	S33-D35 VanDerWaalsContact C-N 3.32Å; S33-D35 PolarHBondContact O-N 2.91Å; S33-L36 WeakPolarHBondContact O-CB 3.37Å; S33-L36 PolarHBondContact O-N 3.48Å; S33-I37 VanDerWaalsContact O-CG1 3.3Å; S33-I37 WeakPolarHBondContact O-CG1 3.45Å; S33-I37 PolarHBondContact O-N 2.91Å
34	N	58.6	Low	62.6	Low	98 Å²	98	61.8 Å²	61.8	52%	0.524	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-36.4	177.8	-70.8	-14	0	0	0	113.5	N32 I37 H38	N32-N34 PolarHBondContact O-N 3.09Å; N32-N34 VanDerWaalsContact O-N 3.09Å; N34-I37 PolarHBondContact O-N 3.4Å; N34-H38 WeakPolarHBondContact O-CB 3.41Å; N34-H38 PolarHBondContact O-N 3.36Å
35	D	61.3	Low	62.4	Low	66 Å²	66	60.3 Å²	60.3	35%	0.353	31%	0.313	S	S	.	.	H	α-helix	trans	-71.2	-36.9	179.7	-61.5	-35.5	0	0	0	110.6	L30 N32 S33 H38 L39	L30-D35 HydrophobicContact CD2-CB 3.66Å; N32-D35 PolarHBondContact O-N 3.37Å; S33-D35 VanDerWaalsContact C-N 3.32Å; S33-D35 PolarHBondContact O-N 2.91Å; D35-H38 PolarHBondContact O-N 3.04Å; D35-L39 VanDerWaalsContact O-CB 3.31Å; D35-L39 WeakPolarHBondContact O-CB 3.47Å; D35-L39 PolarHBondContact O-N 3.41Å
36	L	62	Low	62.1	Low	8 Å²	8	68.1 Å²	68.1	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-63.2	-48.2	170.8	-122.5	177.1	0	0	0	110.4	L30 S33 H38 L39 L40 L53 L58 L63	L30-L36 HydrophobicContact CD1-CG 4.23Å; S33-L36 WeakPolarHBondContact O-CB 3.37Å; S33-L36 PolarHBondContact O-N 3.48Å; L36-H38 VanDerWaalsContact C-N 3.29Å; L36-H38 PolarHBondContact O-N 3.12Å; L36-L39 PolarHBondContact O-N 3.37Å; L36-L40 HydrophobicContact CB-CD1 4.44Å; L36-L40 HydrophobicContact CD2-CD1 3.33Å; L36-L40 HydrophobicContact CD2-CD2 4.27Å; L36-L40 HydrophobicContact CD2-CG 3.73Å; L36-L40 HydrophobicContact CG-CD1 4.4Å; L36-L40 VanDerWaalsContact O-CB 3.24Å; L36-L40 WeakPolarHBondContact O-CB 3.13Å; L36-L40 WeakPolarHBondContact O-CD1 3.45Å; L36-L40 WeakPolarHBondContact O-CG 3.26Å; L36-L40 PolarHBondContact O-N 2.9Å; L36-L53 HydrophobicContact CD2-CD1 4.13Å; L36-L58 HydrophobicContact CD1-CD1 4.22Å; L36-L58 HydrophobicContact CD1-CD2 3.34Å; L36-L58 HydrophobicContact CD1-CG 4.38Å; L36-L58 HydrophobicContact CG-CD2 3.97Å; L36-L63 HydrophobicContact CB-CD1 4.23Å
37	I	62.8	Low	62.3	Low	60 Å²	60	71.5 Å²	71.5	31%	0.308	36%	0.363	S	S	.	.	H	α-helix	trans	-57	-45.4	177.2	-66.8	166.6	0	0	0	110.4	S33 N34 L40 N41 L63	S33-I37 VanDerWaalsContact O-CG1 3.3Å; S33-I37 WeakPolarHBondContact O-CG1 3.45Å; S33-I37 PolarHBondContact O-N 2.91Å; N34-I37 PolarHBondContact O-N 3.4Å; I37-L40 PolarHBondContact O-N 3.02Å; I37-N41 WeakPolarHBondContact O-CB 3.32Å; I37-N41 PolarHBondContact O-N 3.16Å; I37-L63 HydrophobicContact CB-CD1 4.45Å; I37-L63 HydrophobicContact CG1-CD1 3.46Å; I37-L63 VanDerWaalsContact CG1-CD1 3.46Å; I37-L63 HydrophobicContact CG1-CD2 4.06Å; I37-L63 HydrophobicContact CG1-CG 4.38Å
38	H	61.8	Low	62.8	Low	112 Å²	112	64.2 Å²	64.2	52%	0.519	33%	0.33	S	S	.	.	H	α-helix	trans	-66.1	-42.9	-179.4	-161.4	-65.2	0	0	0	111.7	N34 D35 L36 L40	N34-H38 WeakPolarHBondContact O-CB 3.41Å; N34-H38 PolarHBondContact O-N 3.36Å; D35-H38 PolarHBondContact O-N 3.04Å; L36-H38 VanDerWaalsContact C-N 3.29Å; L36-H38 PolarHBondContact O-N 3.12Å; H38-L40 VanDerWaalsContact C-N 3.34Å
39	L	61	Low	63.8	Low	6 Å²	6	65.7 Å²	65.7	3%	0.031	34%	0.337	C	S	.	.	H	α-helix	trans	-59.6	-46	173.7	-160.7	110	0	0	0	110.7	L11 L14 F25 D35 L36 Q42 I43 L53	L11-L39 HydrophobicContact CD2-CD1 3.59Å; L11-L39 HydrophobicContact CD2-CG 4.36Å; L14-L39 HydrophobicContact CD1-CD1 4.12Å; L14-L39 HydrophobicContact CD1-CD2 4.1Å; L14-L39 HydrophobicContact CD1-CG 4.21Å; F25-L39 HydrophobicContact CD2-CD1 3.71Å; F25-L39 HydrophobicContact CD2-CD2 4.47Å; F25-L39 HydrophobicContact CE1-CD1 4.43Å; F25-L39 HydrophobicContact CE2-CD1 3.46Å; F25-L39 VanDerWaalsContact CE2-CD1 3.46Å; F25-L39 HydrophobicContact CG-CD1 4.25Å; F25-L39 HydrophobicContact CG-CD2 4.35Å; F25-L39 HydrophobicContact CZ-CD1 3.89Å; D35-L39 VanDerWaalsContact O-CB 3.31Å; D35-L39 WeakPolarHBondContact O-CB 3.47Å; D35-L39 PolarHBondContact O-N 3.41Å; L36-L39 PolarHBondContact O-N 3.37Å; L39-Q42 PolarHBondContact O-N 3.25Å; L39-I43 HydrophobicContact CD2-CD1 3.79Å; L39-I43 HydrophobicContact CG-CD1 4.07Å; L39-I43 WeakPolarHBondContact O-CD1 2.91Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L39-L53 HydrophobicContact CD2-CD2 4.42Å
40	L	61.5	Low	64.8	Low	5 Å²	5	63.9 Å²	63.9	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-76.7	-35.3	-173.8	-68.3	167.8	0	0	0	114.1	L36 I37 H38 Q42 I43 W45 L63	L36-L40 HydrophobicContact CB-CD1 4.44Å; L36-L40 HydrophobicContact CD2-CD1 3.33Å; L36-L40 HydrophobicContact CD2-CD2 4.27Å; L36-L40 HydrophobicContact CD2-CG 3.73Å; L36-L40 HydrophobicContact CG-CD1 4.4Å; L36-L40 VanDerWaalsContact O-CB 3.24Å; L36-L40 WeakPolarHBondContact O-CB 3.13Å; L36-L40 WeakPolarHBondContact O-CD1 3.45Å; L36-L40 WeakPolarHBondContact O-CG 3.26Å; L36-L40 PolarHBondContact O-N 2.9Å; I37-L40 PolarHBondContact O-N 3.02Å; H38-L40 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 3.29Å; L40-I43 HydrophobicContact CD2-CD1 4.42Å; L40-I43 PolarHBondContact O-N 3.09Å; L40-W45 HydrophobicContact CB-CZ2 3.82Å; L40-W45 HydrophobicContact CD1-CH2 3.65Å; L40-W45 HydrophobicContact CD1-CZ2 3.28Å; L40-W45 HydrophobicContact CD2-CE3 4.5Å; L40-W45 HydrophobicContact CD2-CH2 3.17Å; L40-W45 HydrophobicContact CD2-CZ2 3.31Å; L40-W45 HydrophobicContact CD2-CZ3 3.81Å; L40-W45 HydrophobicContact CG-CH2 3.89Å; L40-W45 HydrophobicContact CG-CZ2 3.6Å; L40-L63 HydrophobicContact CD1-CB 3.81Å; L40-L63 HydrophobicContact CD1-CD1 3.67Å; L40-L63 HydrophobicContact CD1-CG 4.36Å
41	N	63.7	Low	65.8	Low	133 Å²	133	63.9 Å²	63.9	71%	0.711	33%	0.331	S	S	*	.	H	α-helix	trans	-59.3	-28	173.4	-92.3	-9.6	0	0	0	111.5	I37	I37-N41 WeakPolarHBondContact O-CB 3.32Å; I37-N41 PolarHBondContact O-N 3.16Å
42	Q	60.9	Low	67	Low	111 Å²	111	62.6 Å²	62.6	52%	0.519	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.3	173.8	-66.5	-175.1	-4.1	0	0	113.5	L39 L40	L39-Q42 PolarHBondContact O-N 3.25Å; L40-Q42 PolarHBondContact O-N 3.29Å
43	I	61.3	Low	68.3	Low	9 Å²	9	58.8 Å²	58.8	5%	0.046	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-16	-163.8	-68.5	169.5	0	0	0	113.9	L14 F23 L39 L40 L48	L14-I43 HydrophobicContact CD1-CD1 4.43Å; F23-I43 HydrophobicContact CD1-CD1 3.77Å; F23-I43 HydrophobicContact CD1-CG1 3.83Å; F23-I43 HydrophobicContact CD1-CG2 4.11Å; F23-I43 HydrophobicContact CD2-CG2 4.05Å; F23-I43 HydrophobicContact CE1-CB 4.21Å; F23-I43 HydrophobicContact CE1-CD1 4.02Å; F23-I43 HydrophobicContact CE1-CG1 3.53Å; F23-I43 HydrophobicContact CE1-CG2 3.88Å; F23-I43 HydrophobicContact CE2-CG2 3.76Å; F23-I43 HydrophobicContact CG-CD1 4.44Å; F23-I43 HydrophobicContact CG-CG2 4.19Å; F23-I43 HydrophobicContact CZ-CB 4.3Å; F23-I43 HydrophobicContact CZ-CG1 4.11Å; F23-I43 HydrophobicContact CZ-CG2 3.69Å; L39-I43 HydrophobicContact CD2-CD1 3.79Å; L39-I43 HydrophobicContact CG-CD1 4.07Å; L39-I43 WeakPolarHBondContact O-CD1 2.91Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L40-I43 HydrophobicContact CD2-CD1 4.42Å; L40-I43 PolarHBondContact O-N 3.09Å; I43-L48 HydrophobicContact CG2-CD1 4.29Å; I43-L48 HydrophobicContact CG2-CD2 4.28Å
44	Q	63.9	Low	69.9	Low	158 Å²	158	56.6 Å²	56.6	74%	0.738	28%	0.284	S	S	*	.			trans	46.2	83.4	-175.8	-70.9	-172.1	-7.4	0	0	113.2	K46	Q44-K46 PolarHBondContact O-N 2.86Å
45	W	62.7	Low	71.3	Confident	39 Å²	39	53.7 Å²	53.7	15%	0.148	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-43	-28.5	-178.1	-61.7	103.9	0	0	0	117.4	L40 N47 L48 L51 L63 L64 A67	L40-W45 HydrophobicContact CB-CZ2 3.82Å; L40-W45 HydrophobicContact CD1-CH2 3.65Å; L40-W45 HydrophobicContact CD1-CZ2 3.28Å; L40-W45 HydrophobicContact CD2-CE3 4.5Å; L40-W45 HydrophobicContact CD2-CH2 3.17Å; L40-W45 HydrophobicContact CD2-CZ2 3.31Å; L40-W45 HydrophobicContact CD2-CZ3 3.81Å; L40-W45 HydrophobicContact CG-CH2 3.89Å; L40-W45 HydrophobicContact CG-CZ2 3.6Å; W45-N47 PolarHBondContact O-N 3.09Å; W45-L48 HydrophobicContact CE3-CD2 4.02Å; W45-L48 HydrophobicContact CZ3-CD2 4.15Å; W45-L48 PolarHBondContact O-N 2.9Å; W45-L48 VanDerWaalsContact O-N 3.1Å; W45-L51 HydrophobicContact CZ3-CD2 4.05Å; W45-L63 HydrophobicContact CZ2-CB 4.29Å; W45-L64 HydrophobicContact CH2-CD2 3.55Å; W45-L64 HydrophobicContact CZ3-CD2 3.63Å; W45-A67 HydrophobicContact CD2-CB 4.33Å; W45-A67 HydrophobicContact CE3-CB 3.48Å; W45-A67 VanDerWaalsContact CE3-CB 3.48Å; W45-A67 HydrophobicContact CZ3-CB 3.62Å
46	K	64.8	Low	72.3	Confident	166 Å²	166	50.6 Å²	50.6	72%	0.722	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-56.8	-18	-168.4	-71.9	-171.8	178.4	-178.8	0	115.2	Q44 K69	Q44-K46 PolarHBondContact O-N 2.86Å; K46-K69 WeakPolarHBondContact O-CD 3.33Å; K46-K69 WeakPolarHBondContact O-CE 3.48Å; K46-K69 PolarHBondContact O-NZ 3.48Å
47	N	69.5	Low	73.4	Confident	96 Å²	96	55.1 Å²	55.1	51%	0.513	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-125.1	4.2	-179.3	-70.1	-19.2	0	0	0	114.1	W45 T49	W45-N47 PolarHBondContact O-N 3.09Å; N47-T49 PolarHBondContact O-N 3.48Å
48	L	75.1	Confident	74.4	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.01	26%	0.26	C	S	.	.			trans	-77.8	118.1	-174.9	-171.5	71.2	0	0	0	110.7	F23 I43 W45 L51 K69 L70	F23-L48 HydrophobicContact CB-CD1 4.12Å; F23-L48 HydrophobicContact CD2-CD1 3.07Å; F23-L48 HydrophobicContact CE2-CD1 3.69Å; F23-L48 HydrophobicContact CG-CD1 3.91Å; I43-L48 HydrophobicContact CG2-CD1 4.29Å; I43-L48 HydrophobicContact CG2-CD2 4.28Å; W45-L48 HydrophobicContact CE3-CD2 4.02Å; W45-L48 HydrophobicContact CZ3-CD2 4.15Å; W45-L48 PolarHBondContact O-N 2.9Å; W45-L48 VanDerWaalsContact O-N 3.1Å; L48-L51 HydrophobicContact CD2-CB 3.99Å; L48-L51 HydrophobicContact CD2-CD1 4.2Å; L48-L51 HydrophobicContact CD2-CD2 3.99Å; L48-L51 HydrophobicContact CD2-CG 4.28Å; L48-K69 CarbonylContact O-C 3.5Å; L48-L70 HydrophobicContact CD2-CD1 4.08Å; L48-L70 HydrophobicContact CG-CD1 3.96Å; L48-L70 WeakPolarHBondContact O-CA 3.35Å; L48-L70 PolarHBondContact O-N 3.07Å
49	T	84.1	Confident	75.6	Confident	36 Å²	36	54.8 Å²	54.8	22%	0.221	27%	0.265	C	S	.	.			trans	-106.2	-26.1	178.6	60.8	0	0	0	0	112.4	Q21 N47 E71 C72	Q21-T49 PolarHBondContact O-N 3.45Å; Q21-T49 PolarHBondContact O-OG1 3.18Å; N47-T49 PolarHBondContact O-N 3.48Å; T49-E71 WeakPolarHBondContact O-CA 3.39Å; T49-E71 WeakPolarHBondContact O-CB 3.28Å; T49-E71 PolarHBondContact O-N 3.33Å; T49-C72 PolarHBondContact O-N 2.83Å
50	S	85.3	Confident	76.5	Confident	41 Å²	41	58 Å²	58	29%	0.287	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.2	178.2	-178.8	0	0	0	0	111.8	Q21 S22 F23 C72	Q21-S50 PolarHBondContact O-N 2.88Å; S22-S50 CarbonylContact C-O 3.15Å; S22-S50 VanDerWaalsContact CA-O 3.27Å; S22-S50 WeakPolarHBondContact CA-O 3.49Å; F23-S50 PolarHBondContact N-O 3.29Å; S50-C72 CarbonylContact C-O 3.59Å; S50-C72 WeakPolarHBondContact CA-O 3.41Å
51	L	86.5	Confident	77.5	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	120.5	-179.2	-178.3	57.9	0	0	0	110.6	F23 W45 L48 L53 L64 L70 C72 L73 D74	F23-L51 HydrophobicContact CB-CD1 4.03Å; F23-L51 WeakPolarHBondContact O-CA 3.34Å; W45-L51 HydrophobicContact CZ3-CD2 4.05Å; L48-L51 HydrophobicContact CD2-CB 3.99Å; L48-L51 HydrophobicContact CD2-CD1 4.2Å; L48-L51 HydrophobicContact CD2-CD2 3.99Å; L48-L51 HydrophobicContact CD2-CG 4.28Å; L51-L53 HydrophobicContact CD1-CD1 4.43Å; L51-L53 HydrophobicContact CD1-CD2 4.1Å; L51-L53 HydrophobicContact CD1-CG 3.94Å; L51-L53 HydrophobicContact CD2-CD1 3.81Å; L51-L53 HydrophobicContact CD2-CG 4.15Å; L51-L53 HydrophobicContact CG-CD1 4.11Å; L51-L53 HydrophobicContact CG-CG 3.87Å; L51-L64 HydrophobicContact CD2-CD2 3.81Å; L51-L70 HydrophobicContact CB-CD1 3.65Å; L51-L70 HydrophobicContact CB-CD2 4.27Å; L51-C72 PolarHBondContact N-O 3.46Å; L51-L73 HydrophobicContact CB-CD1 4.2Å; L51-L73 HydrophobicContact CD2-CD1 4.22Å; L51-L73 HydrophobicContact CG-CD1 4.25Å; L51-L73 WeakPolarHBondContact O-CA 3.46Å; L51-D74 PolarHBondContact O-N 3.33Å
52	N	86.1	Confident	78.3	Confident	26 Å²	26	54.6 Å²	54.6	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117	169.2	-169.7	-34.8	0	0	0	109.4	F23 H24 F25 S54 D74	F23-N52 PolarHBondContact O-N 2.94Å; H24-N52 HydrophobicContact CB-CB 4.33Å; H24-N52 VanDerWaalsContact CD2-CB 3.47Å; H24-N52 WeakPolarHBondContact CD2-CB 3.25Å; H24-N52 PolarHBondContact CD2-ND2 3.37Å; H24-N52 PolarHBondContact NE2-ND2 3.16Å; F25-N52 PolarHBondContact N-O 3.07Å; F25-N52 VanDerWaalsContact O-O 3.09Å; N52-S54 VanDerWaalsContact OD1-CB 3.23Å; N52-S54 WeakPolarHBondContact OD1-CB 3.37Å; N52-S54 PolarHBondContact OD1-N 3.41Å; N52-S54 PolarHBondContact OD1-OG 3.5Å; N52-D74 HydrophobicContact CB-CB 4.22Å; N52-D74 PolarHBondContact ND2-OD2 3.03Å
53	L	86	Confident	78.8	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	25%	0.253	C	S	.	.			trans	-122.9	28.4	174.4	-65.9	175.1	0	0	0	111.1	F25 L30 L36 L39 L51 N56 L58 D74 L75 N78	F25-L53 HydrophobicContact CB-CD2 4.15Å; F25-L53 WeakPolarHBondContact O-CA 3.39Å; L30-L53 HydrophobicContact CD1-CD2 4.3Å; L36-L53 HydrophobicContact CD2-CD1 4.13Å; L39-L53 HydrophobicContact CD2-CD2 4.42Å; L51-L53 HydrophobicContact CD1-CD1 4.43Å; L51-L53 HydrophobicContact CD1-CD2 4.1Å; L51-L53 HydrophobicContact CD1-CG 3.94Å; L51-L53 HydrophobicContact CD2-CD1 3.81Å; L51-L53 HydrophobicContact CD2-CG 4.15Å; L51-L53 HydrophobicContact CG-CD1 4.11Å; L51-L53 HydrophobicContact CG-CG 3.87Å; L53-N56 VanDerWaalsContact CA-ND2 3.25Å; L53-N56 WeakPolarHBondContact CA-ND2 3.48Å; L53-N56 PolarHBondContact O-ND2 3.28Å; L53-L58 HydrophobicContact CB-CD1 3.85Å; L53-L58 HydrophobicContact CD1-CD1 4.13Å; L53-D74 CarbonylContact C-O 3.4Å; L53-D74 PolarHBondContact N-O 3.06Å; L53-L75 HydrophobicContact CB-CD2 4.04Å; L53-L75 HydrophobicContact CD1-CD2 4.22Å; L53-N78 PolarHBondContact O-ND2 3.42Å
54	S	89	Confident	79.6	Confident	13 Å²	13	51.3 Å²	51.3	9%	0.091	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	150.9	179.1	64.2	0	0	0	0	112.4	S26 N52 N56 D74 S76	S26-S54 WeakPolarHBondContact CA-O 3.38Å; N52-S54 VanDerWaalsContact OD1-CB 3.23Å; N52-S54 WeakPolarHBondContact OD1-CB 3.37Å; N52-S54 PolarHBondContact OD1-N 3.41Å; N52-S54 PolarHBondContact OD1-OG 3.5Å; S54-N56 VanDerWaalsContact C-N 3.3Å; S54-N56 PolarHBondContact O-N 2.85Å; S54-N56 PolarHBondContact O-ND2 3.5Å; S54-D74 PolarHBondContact N-O 2.92Å; S54-S76 CarbonylContact C-O 3.49Å; S54-S76 WeakPolarHBondContact CA-O 3.35Å; S54-S76 WeakPolarHBondContact CB-O 3.3Å; S54-S76 VanDerWaalsContact CB-OG 3.29Å; S54-S76 WeakPolarHBondContact CB-OG 3.28Å
55	S	87	Confident	80.2	Confident	38 Å²	38	47 Å²	47	27%	0.266	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	34.9	173.4	-52.1	0	0	0	0	114.8	E27 S76 N77	E27-S55 WeakPolarHBondContact CA-O 3.32Å; E27-S55 PolarHBondContact N-O 3Å; S55-S76 PolarHBondContact N-O 2.95Å; S55-N77 VanDerWaalsContact CA-O 3.24Å; S55-N77 WeakPolarHBondContact CA-O 3.4Å; S55-N77 PolarHBondContact N-O 2.91Å; S55-N77 PolarHBondContact OG-ND2 2.82Å
56	N	83.7	Confident	80.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-111	9.2	-175.6	-72.8	-47.1	0	0	0	114.9	F25 G28 L30 L53 S54 L58 N78	F25-N56 WeakPolarHBondContact CD1-OD1 3.46Å; F25-N56 WeakPolarHBondContact CE1-OD1 3.38Å; F25-N56 PolarHBondContact O-ND2 2.9Å; G28-N56 WeakPolarHBondContact CA-OD1 3.45Å; G28-N56 PolarHBondContact N-OD1 3.37Å; G28-N56 CarbonylContact O-C 3.57Å; G28-N56 VanDerWaalsContact O-CA 3.25Å; G28-N56 WeakPolarHBondContact O-CA 3.31Å; G28-N56 PolarHBondContact O-OD1 3.49Å; L30-N56 HydrophobicContact CB-CB 4.14Å; L30-N56 HydrophobicContact CD1-CB 3.91Å; L30-N56 HydrophobicContact CG-CB 4.2Å; L30-N56 PolarHBondContact N-O 3.32Å; L30-N56 VanDerWaalsContact N-O 3.09Å; L53-N56 VanDerWaalsContact CA-ND2 3.25Å; L53-N56 WeakPolarHBondContact CA-ND2 3.48Å; L53-N56 PolarHBondContact O-ND2 3.28Å; S54-N56 VanDerWaalsContact C-N 3.3Å; S54-N56 PolarHBondContact O-N 2.85Å; S54-N56 PolarHBondContact O-ND2 3.5Å; N56-L58 HydrophobicContact CB-CD1 4.45Å; N56-L58 HydrophobicContact CB-CD2 4.31Å; N56-L58 HydrophobicContact CB-CG 3.94Å; N56-L58 PolarHBondContact O-N 3.24Å; N56-N78 VanDerWaalsContact C-OD1 3.3Å; N56-N78 WeakPolarHBondContact CA-OD1 3.46Å; N56-N78 PolarHBondContact N-OD1 2.8Å
57	K	84.3	Confident	81.4	Confident	104 Å²	104	45.4 Å²	45.4	45%	0.452	23%	0.225	S	C	.	.			trans	58.5	28.9	-178.6	-50.9	-177.7	-174.9	172.7	0	113.4	N78 F79	K57-N78 PolarHBondContact N-OD1 2.96Å; K57-F79 HydrophobicContact CB-CD2 3.84Å; K57-F79 HydrophobicContact CB-CE2 3.66Å; K57-F79 HydrophobicContact CD-CE2 4.42Å; K57-F79 HydrophobicContact CG-CD2 4.47Å; K57-F79 HydrophobicContact CG-CE2 3.81Å
58	L	84.5	Confident	81.8	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.223	C	C	.	.			trans	-65.6	135.2	-179.2	-62.1	-179.7	0	0	0	111.2	L30 L36 L53 N56 I61 L75 N78 F79 L80	L30-L58 HydrophobicContact CB-CD2 3.51Å; L30-L58 HydrophobicContact CD1-CD2 4.25Å; L36-L58 HydrophobicContact CD1-CD1 4.22Å; L36-L58 HydrophobicContact CD1-CD2 3.34Å; L36-L58 HydrophobicContact CD1-CG 4.38Å; L36-L58 HydrophobicContact CG-CD2 3.97Å; L53-L58 HydrophobicContact CB-CD1 3.85Å; L53-L58 HydrophobicContact CD1-CD1 4.13Å; N56-L58 HydrophobicContact CB-CD1 4.45Å; N56-L58 HydrophobicContact CB-CD2 4.31Å; N56-L58 HydrophobicContact CB-CG 3.94Å; N56-L58 PolarHBondContact O-N 3.24Å; L58-I61 HydrophobicContact CD1-CG2 4.5Å; L58-L75 HydrophobicContact CD1-CD2 4.08Å; L58-N78 HydrophobicContact CB-CB 4Å; L58-N78 WeakPolarHBondContact CG-OD1 3.24Å; L58-N78 PolarHBondContact N-OD1 3.21Å; L58-F79 CarbonylContact O-C 3.51Å; L58-F79 VanDerWaalsContact O-C 3.23Å; L58-F79 VanDerWaalsContact O-CA 3.3Å; L58-F79 WeakPolarHBondContact O-CA 3.34Å; L58-F79 PolarHBondContact O-N 3.27Å; L58-L80 HydrophobicContact CB-CD2 4.05Å; L58-L80 PolarHBondContact O-N 3.4Å
59	R	85.8	Confident	82.2	Confident	163 Å²	163	49.5 Å²	49.5	62%	0.615	24%	0.242	S	C	*	.			trans	-111.3	-21.7	170.1	-70.6	-174	177.8	116.7	-1.5	113	F79	R59-F79 HydrophobicContact CG-CB 3.82Å
60	D	81	Confident	82.4	Confident	74 Å²	74	47.8 Å²	47.8	40%	0.396	23%	0.232	S	C	.	.			trans	-134.2	141.4	-178.4	-172.3	14.1	0	0	0	110.6	T62	D60-T62 WeakPolarHBondContact OD1-CB 3.31Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.42Å; D60-T62 PolarHBondContact OD1-N 3.02Å; D60-T62 PolarHBondContact OD1-OG1 3.38Å; D60-T62 PolarHBondContact OD2-OG1 3.42Å
61	I	82.2	Confident	82.7	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.015	24%	0.237	C	C	.	.			trans	-131.9	18.7	178	58.2	164.9	0	0	0	111.8	L58 L63 L64 L75 L80 I83 S85 I86	L58-I61 HydrophobicContact CD1-CG2 4.5Å; I61-L63 PolarHBondContact O-N 3.21Å; I61-L64 HydrophobicContact CB-CD1 3.86Å; I61-L64 HydrophobicContact CB-CG 4.3Å; I61-L64 HydrophobicContact CD1-CD1 4.23Å; I61-L64 HydrophobicContact CG2-CD1 4.25Å; I61-L64 WeakPolarHBondContact O-CB 3.1Å; I61-L64 PolarHBondContact O-N 3.01Å; I61-L75 HydrophobicContact CD1-CD1 3.77Å; I61-L75 HydrophobicContact CG2-CD1 4.16Å; I61-L75 HydrophobicContact CG2-CD2 3.88Å; I61-L80 HydrophobicContact CD1-CD1 4.39Å; I61-L80 HydrophobicContact CG2-CD1 4Å; I61-L80 HydrophobicContact CG2-CD2 3.73Å; I61-I83 HydrophobicContact CD1-CB 4.26Å; I61-I83 HydrophobicContact CD1-CG2 4.15Å; I61-S85 WeakPolarHBondContact O-CB 3.27Å; I61-I86 HydrophobicContact CD1-CD1 3.85Å; I61-I86 HydrophobicContact CD1-CG1 3.56Å
62	T	79.6	Confident	83	Confident	64 Å²	64	52 Å²	52	39%	0.393	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-49.7	-30.2	176.2	49.5	0	0	0	0	114.2	D60 L64 N65 S85	D60-T62 WeakPolarHBondContact OD1-CB 3.31Å; D60-T62 WeakPolarHBondContact OD1-CG2 3.42Å; D60-T62 PolarHBondContact OD1-N 3.02Å; D60-T62 PolarHBondContact OD1-OG1 3.38Å; D60-T62 PolarHBondContact OD2-OG1 3.42Å; T62-L64 PolarHBondContact O-N 3.5Å; T62-N65 VanDerWaalsContact O-CB 3.3Å; T62-N65 WeakPolarHBondContact O-CB 3.24Å; T62-N65 VanDerWaalsContact O-CG 3.27Å; T62-N65 PolarHBondContact O-N 3.45Å; T62-N65 PolarHBondContact O-ND2 3.29Å; T62-N65 VanDerWaalsContact O-ND2 3.09Å; T62-S85 WeakPolarHBondContact CA-OG 3.5Å
63	L	72.8	Confident	83.4	Confident	47 Å²	47	51 Å²	51	25%	0.246	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-66.4	-21.9	178.2	-61.9	165.8	0	0	0	113.9	L36 I37 L40 W45 I61 N65	L36-L63 HydrophobicContact CB-CD1 4.23Å; I37-L63 HydrophobicContact CB-CD1 4.45Å; I37-L63 HydrophobicContact CG1-CD1 3.46Å; I37-L63 VanDerWaalsContact CG1-CD1 3.46Å; I37-L63 HydrophobicContact CG1-CD2 4.06Å; I37-L63 HydrophobicContact CG1-CG 4.38Å; L40-L63 HydrophobicContact CD1-CB 3.81Å; L40-L63 HydrophobicContact CD1-CD1 3.67Å; L40-L63 HydrophobicContact CD1-CG 4.36Å; W45-L63 HydrophobicContact CZ2-CB 4.29Å; I61-L63 PolarHBondContact O-N 3.21Å; L63-N65 PolarHBondContact O-N 3.18Å; L63-N65 VanDerWaalsContact O-N 3.14Å
64	L	78.1	Confident	83.7	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-67.1	-8.5	174.7	-66.4	177.4	0	0	0	113	W45 L51 I61 T62 Y66 A67 L73 L75 C89	W45-L64 HydrophobicContact CH2-CD2 3.55Å; W45-L64 HydrophobicContact CZ3-CD2 3.63Å; L51-L64 HydrophobicContact CD2-CD2 3.81Å; I61-L64 HydrophobicContact CB-CD1 3.86Å; I61-L64 HydrophobicContact CB-CG 4.3Å; I61-L64 HydrophobicContact CD1-CD1 4.23Å; I61-L64 HydrophobicContact CG2-CD1 4.25Å; I61-L64 WeakPolarHBondContact O-CB 3.1Å; I61-L64 PolarHBondContact O-N 3.01Å; T62-L64 PolarHBondContact O-N 3.5Å; L64-Y66 PolarHBondContact O-N 3.15Å; L64-A67 HydrophobicContact CD2-CB 4.37Å; L64-A67 WeakPolarHBondContact O-CB 3.44Å; L64-A67 PolarHBondContact O-N 3.35Å; L64-L73 HydrophobicContact CD1-CD1 4.27Å; L64-L73 HydrophobicContact CD1-CD2 3.66Å; L64-L75 HydrophobicContact CD1-CD1 4.11Å; L64-L75 HydrophobicContact CD1-CD2 4.47Å; L64-C89 PolarHBondContact O-SG 3Å
65	N	75.9	Confident	83.9	Confident	67 Å²	67	52 Å²	52	36%	0.358	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-57.8	-19.3	175.6	-78.5	-28.7	0	0	0	114.2	T62 L63 S85 S88	T62-N65 VanDerWaalsContact O-CB 3.3Å; T62-N65 WeakPolarHBondContact O-CB 3.24Å; T62-N65 VanDerWaalsContact O-CG 3.27Å; T62-N65 PolarHBondContact O-N 3.45Å; T62-N65 PolarHBondContact O-ND2 3.29Å; T62-N65 VanDerWaalsContact O-ND2 3.09Å; L63-N65 PolarHBondContact O-N 3.18Å; L63-N65 VanDerWaalsContact O-N 3.14Å; N65-S85 WeakPolarHBondContact OD1-CA 3.3Å; N65-S85 WeakPolarHBondContact OD1-CB 3.43Å; N65-S85 PolarHBondContact OD1-O 3.38Å; N65-S88 PolarHBondContact OD1-OG 3Å
66	Y	74.7	Confident	84.2	Confident	170 Å²	170	51 Å²	51	67%	0.667	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-100.1	0.6	179.1	-54.8	-77.2	0	0	0	113.7	L64 D68	L64-Y66 PolarHBondContact O-N 3.15Å; Y66-D68 PolarHBondContact O-N 2.81Å
67	A	78.2	Confident	84.7	Confident	2 Å²	2	55 Å²	55	2%	0.017	27%	0.265	C	S	.	.			trans	-93	56.1	-174.9	0	0	0	0	0	112.1	W45 L64 K69 L70	W45-A67 HydrophobicContact CD2-CB 4.33Å; W45-A67 HydrophobicContact CE3-CB 3.48Å; W45-A67 VanDerWaalsContact CE3-CB 3.48Å; W45-A67 HydrophobicContact CZ3-CB 3.62Å; L64-A67 HydrophobicContact CD2-CB 4.37Å; L64-A67 WeakPolarHBondContact O-CB 3.44Å; L64-A67 PolarHBondContact O-N 3.35Å; A67-K69 VanDerWaalsContact C-N 3.31Å; A67-K69 PolarHBondContact O-N 3.14Å; A67-L70 HydrophobicContact CB-CB 4.22Å; A67-L70 HydrophobicContact CB-CD2 4.45Å; A67-L70 WeakPolarHBondContact O-CB 3.42Å; A67-L70 PolarHBondContact O-N 3.35Å
68	D	78.3	Confident	85	Confident	89 Å²	89	50.3 Å²	50.3	48%	0.476	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.6	-172.4	62.7	-21.8	0	0	0	114.9	Y66 S91	Y66-D68 PolarHBondContact O-N 2.81Å; D68-S91 VanDerWaalsContact O-CB 3.27Å; D68-S91 WeakPolarHBondContact O-CB 3.39Å; D68-S91 PolarHBondContact O-N 3.31Å; D68-S91 PolarHBondContact O-OG 3Å
69	K	83.7	Confident	85.3	Confident	94 Å²	94	55.5 Å²	55.5	41%	0.409	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.2	177.8	-61.2	-161.2	-166.6	162.6	0	115.3	K46 L48 A67 E71	K46-K69 WeakPolarHBondContact O-CD 3.33Å; K46-K69 WeakPolarHBondContact O-CE 3.48Å; K46-K69 PolarHBondContact O-NZ 3.48Å; L48-K69 CarbonylContact O-C 3.5Å; A67-K69 VanDerWaalsContact C-N 3.31Å; A67-K69 PolarHBondContact O-N 3.14Å; K69-E71 PolarHBondContact O-N 3.24Å
70	L	87.9	Confident	85.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.			trans	-70.5	124.9	-176.2	-166.3	69.9	0	0	0	110.7	L48 L51 A67 L73 S91 L92	L48-L70 HydrophobicContact CD2-CD1 4.08Å; L48-L70 HydrophobicContact CG-CD1 3.96Å; L48-L70 WeakPolarHBondContact O-CA 3.35Å; L48-L70 PolarHBondContact O-N 3.07Å; L51-L70 HydrophobicContact CB-CD1 3.65Å; L51-L70 HydrophobicContact CB-CD2 4.27Å; A67-L70 HydrophobicContact CB-CB 4.22Å; A67-L70 HydrophobicContact CB-CD2 4.45Å; A67-L70 WeakPolarHBondContact O-CB 3.42Å; A67-L70 PolarHBondContact O-N 3.35Å; L70-L73 HydrophobicContact CD2-CB 3.81Å; L70-L73 HydrophobicContact CD2-CD1 3.96Å; L70-L73 HydrophobicContact CD2-CD2 3.99Å; L70-L73 HydrophobicContact CD2-CG 4.12Å; L70-S91 CarbonylContact O-C 3.55Å; L70-L92 HydrophobicContact CD2-CD1 4.39Å; L70-L92 HydrophobicContact CG-CD1 4.25Å; L70-L92 VanDerWaalsContact O-CA 3.24Å; L70-L92 WeakPolarHBondContact O-CA 3.25Å; L70-L92 PolarHBondContact O-N 3.48Å; L70-L92 VanDerWaalsContact O-N 3.13Å
71	E	92.4	Very high	86	Confident	83 Å²	83	49 Å²	49	39%	0.388	25%	0.245	S	C	.	.			trans	-103.9	-36.4	-179.1	-63.4	179.9	-178.9	0	0	111.9	T49 K69 I93 S94	T49-E71 WeakPolarHBondContact O-CA 3.39Å; T49-E71 WeakPolarHBondContact O-CB 3.28Å; T49-E71 PolarHBondContact O-N 3.33Å; K69-E71 PolarHBondContact O-N 3.24Å; E71-I93 HydrophobicContact CB-CD1 4.14Å; E71-I93 HydrophobicContact CB-CG1 4.29Å; E71-I93 HydrophobicContact CG-CD1 4.22Å; E71-I93 WeakPolarHBondContact O-CA 3.05Å; E71-I93 PolarHBondContact O-N 3.43Å; E71-S94 PolarHBondContact O-N 3.04Å
72	C	92.5	Very high	86.3	Confident	49 Å²	49	52.9 Å²	52.9	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	123.7	-179.9	-63.2	0	0	0	0	110.5	T49 S50 L51 S94	T49-C72 PolarHBondContact O-N 2.83Å; S50-C72 CarbonylContact C-O 3.59Å; S50-C72 WeakPolarHBondContact CA-O 3.41Å; L51-C72 PolarHBondContact N-O 3.46Å; C72-S94 WeakPolarHBondContact CA-O 3.26Å
73	L	93.3	Very high	86.7	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.6	-179.8	178.2	56.3	0	0	0	110.6	L51 L64 L70 L75 L92 S94 L95 D96	L51-L73 HydrophobicContact CB-CD1 4.2Å; L51-L73 HydrophobicContact CD2-CD1 4.22Å; L51-L73 HydrophobicContact CG-CD1 4.25Å; L51-L73 WeakPolarHBondContact O-CA 3.46Å; L64-L73 HydrophobicContact CD1-CD1 4.27Å; L64-L73 HydrophobicContact CD1-CD2 3.66Å; L70-L73 HydrophobicContact CD2-CB 3.81Å; L70-L73 HydrophobicContact CD2-CD1 3.96Å; L70-L73 HydrophobicContact CD2-CD2 3.99Å; L70-L73 HydrophobicContact CD2-CG 4.12Å; L73-L75 HydrophobicContact CD1-CD1 4.3Å; L73-L75 HydrophobicContact CD1-CD2 4.1Å; L73-L75 HydrophobicContact CD1-CG 3.81Å; L73-L75 HydrophobicContact CD2-CD1 3.77Å; L73-L75 HydrophobicContact CD2-CG 4.18Å; L73-L75 HydrophobicContact CG-CD1 4.02Å; L73-L75 HydrophobicContact CG-CG 3.87Å; L73-L92 HydrophobicContact CB-CD1 3.68Å; L73-S94 PolarHBondContact N-O 2.96Å; L73-L95 HydrophobicContact CB-CD1 3.97Å; L73-L95 HydrophobicContact CD2-CD1 3.86Å; L73-L95 HydrophobicContact CG-CD1 3.91Å; L73-L95 WeakPolarHBondContact O-CA 3.44Å; L73-D96 PolarHBondContact O-N 3.13Å
74	D	92.3	Very high	87.5	Confident	36 Å²	36	51.1 Å²	51.1	19%	0.193	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.6	171.6	-178.2	0.7	0	0	0	109.5	L51 N52 L53 S54 S76 D96	L51-D74 PolarHBondContact O-N 3.33Å; N52-D74 HydrophobicContact CB-CB 4.22Å; N52-D74 PolarHBondContact ND2-OD2 3.03Å; L53-D74 CarbonylContact C-O 3.4Å; L53-D74 PolarHBondContact N-O 3.06Å; S54-D74 PolarHBondContact N-O 2.92Å; D74-S76 WeakPolarHBondContact OD1-CB 3.46Å; D74-S76 PolarHBondContact OD1-N 2.94Å; D74-S76 PolarHBondContact OD1-OG 3.23Å; D74-D96 HydrophobicContact CB-CB 4.43Å
75	L	93.2	Very high	87.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.			trans	-117.5	17.7	176.4	-69.3	171	0	0	0	111	L53 L58 I61 L64 L73 N78 L80 I86 D96 I97 N100	L53-L75 HydrophobicContact CB-CD2 4.04Å; L53-L75 HydrophobicContact CD1-CD2 4.22Å; L58-L75 HydrophobicContact CD1-CD2 4.08Å; I61-L75 HydrophobicContact CD1-CD1 3.77Å; I61-L75 HydrophobicContact CG2-CD1 4.16Å; I61-L75 HydrophobicContact CG2-CD2 3.88Å; L64-L75 HydrophobicContact CD1-CD1 4.11Å; L64-L75 HydrophobicContact CD1-CD2 4.47Å; L73-L75 HydrophobicContact CD1-CD1 4.3Å; L73-L75 HydrophobicContact CD1-CD2 4.1Å; L73-L75 HydrophobicContact CD1-CG 3.81Å; L73-L75 HydrophobicContact CD2-CD1 3.77Å; L73-L75 HydrophobicContact CD2-CG 4.18Å; L73-L75 HydrophobicContact CG-CD1 4.02Å; L73-L75 HydrophobicContact CG-CG 3.87Å; L75-N78 PolarHBondContact O-ND2 3.34Å; L75-L80 HydrophobicContact CB-CD1 3.92Å; L75-L80 HydrophobicContact CD1-CD1 3.99Å; L75-L80 HydrophobicContact CD2-CD1 4.43Å; L75-L80 HydrophobicContact CG-CD1 4.35Å; L75-I86 HydrophobicContact CD1-CD1 3.93Å; L75-D96 WeakPolarHBondContact CA-O 3.35Å; L75-D96 PolarHBondContact N-O 3.47Å; L75-I97 HydrophobicContact CB-CG2 4.17Å; L75-I97 HydrophobicContact CD1-CG2 4.24Å; L75-N100 PolarHBondContact O-ND2 3Å
76	S	94.5	Very high	88.4	Confident	17 Å²	17	48.1 Å²	48.1	12%	0.119	24%	0.242	C	C	.	.			trans	-62.9	154.1	-175.3	63.3	0	0	0	0	112.8	S54 S55 D74 N78 S98	S54-S76 CarbonylContact C-O 3.49Å; S54-S76 WeakPolarHBondContact CA-O 3.35Å; S54-S76 WeakPolarHBondContact CB-O 3.3Å; S54-S76 VanDerWaalsContact CB-OG 3.29Å; S54-S76 WeakPolarHBondContact CB-OG 3.28Å; S55-S76 PolarHBondContact N-O 2.95Å; D74-S76 WeakPolarHBondContact OD1-CB 3.46Å; D74-S76 PolarHBondContact OD1-N 2.94Å; D74-S76 PolarHBondContact OD1-OG 3.23Å; S76-N78 PolarHBondContact O-N 2.91Å; S76-N78 PolarHBondContact O-ND2 2.91Å; S76-S98 CarbonylContact C-O 3.3Å; S76-S98 WeakPolarHBondContact CA-O 3.09Å; S76-S98 WeakPolarHBondContact CB-OG 3.47Å
77	N	93.2	Very high	89.1	Confident	83 Å²	83	41.8 Å²	41.8	44%	0.444	22%	0.219	S	C	.	.	S	Bend	trans	57.2	47.6	176.1	-165.5	41.5	0	0	0	113.3	S55 S98 K99	S55-N77 VanDerWaalsContact CA-O 3.24Å; S55-N77 WeakPolarHBondContact CA-O 3.4Å; S55-N77 PolarHBondContact N-O 2.91Å; S55-N77 PolarHBondContact OG-ND2 2.82Å; N77-S98 PolarHBondContact N-O 2.96Å; N77-K99 VanDerWaalsContact CA-O 3.25Å; N77-K99 WeakPolarHBondContact CA-O 3.5Å; N77-K99 HydrophobicContact CB-CB 4.36Å; N77-K99 PolarHBondContact N-O 3.34Å
78	N	91.2	Very high	89.5	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.032	23%	0.232	C	C	.	.	S	Bend	trans	-119.9	-169.9	173.9	-78	-61.8	0	0	0	109.6	L53 N56 K57 L58 L75 S76 L80 K99 N100	L53-N78 PolarHBondContact O-ND2 3.42Å; N56-N78 VanDerWaalsContact C-OD1 3.3Å; N56-N78 WeakPolarHBondContact CA-OD1 3.46Å; N56-N78 PolarHBondContact N-OD1 2.8Å; K57-N78 PolarHBondContact N-OD1 2.96Å; L58-N78 HydrophobicContact CB-CB 4Å; L58-N78 WeakPolarHBondContact CG-OD1 3.24Å; L58-N78 PolarHBondContact N-OD1 3.21Å; L75-N78 PolarHBondContact O-ND2 3.34Å; S76-N78 PolarHBondContact O-N 2.91Å; S76-N78 PolarHBondContact O-ND2 2.91Å; N78-L80 HydrophobicContact CB-CG 4.11Å; N78-K99 PolarHBondContact N-O 3.44Å; N78-N100 VanDerWaalsContact CA-OD1 3.28Å; N78-N100 WeakPolarHBondContact CA-OD1 3.4Å; N78-N100 WeakPolarHBondContact CB-OD1 3.42Å; N78-N100 PolarHBondContact N-OD1 2.97Å; N78-N100 PolarHBondContact O-OD1 3.22Å; N78-N100 VanDerWaalsContact O-OD1 3.13Å
79	F	90.3	Very high	90	Very high	111 Å²	111	39.4 Å²	39.4	49%	0.487	21%	0.209	S	C	.	.			trans	-112.2	32.8	178.5	-61.3	-64.6	0	0	0	111.7	K57 L58 R59 N100	K57-F79 HydrophobicContact CB-CD2 3.84Å; K57-F79 HydrophobicContact CB-CE2 3.66Å; K57-F79 HydrophobicContact CD-CE2 4.42Å; K57-F79 HydrophobicContact CG-CD2 4.47Å; K57-F79 HydrophobicContact CG-CE2 3.81Å; L58-F79 CarbonylContact O-C 3.51Å; L58-F79 VanDerWaalsContact O-C 3.23Å; L58-F79 VanDerWaalsContact O-CA 3.3Å; L58-F79 WeakPolarHBondContact O-CA 3.34Å; L58-F79 PolarHBondContact O-N 3.27Å; R59-F79 HydrophobicContact CG-CB 3.82Å; F79-N100 PolarHBondContact N-OD1 3.39Å
80	L	91.8	Very high	90.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.			trans	-72.3	130.5	-178.5	-55.9	175	0	0	0	110	L58 I61 L75 N78 I83 N100 N101 I102	L58-L80 HydrophobicContact CB-CD2 4.05Å; L58-L80 PolarHBondContact O-N 3.4Å; I61-L80 HydrophobicContact CD1-CD1 4.39Å; I61-L80 HydrophobicContact CG2-CD1 4Å; I61-L80 HydrophobicContact CG2-CD2 3.73Å; L75-L80 HydrophobicContact CB-CD1 3.92Å; L75-L80 HydrophobicContact CD1-CD1 3.99Å; L75-L80 HydrophobicContact CD2-CD1 4.43Å; L75-L80 HydrophobicContact CG-CD1 4.35Å; N78-L80 HydrophobicContact CB-CG 4.11Å; L80-I83 HydrophobicContact CB-CG2 4.31Å; L80-I83 HydrophobicContact CD1-CG2 4.32Å; L80-N100 HydrophobicContact CB-CB 4.21Å; L80-N100 VanDerWaalsContact CB-OD1 3.28Å; L80-N100 WeakPolarHBondContact CB-OD1 3.36Å; L80-N100 WeakPolarHBondContact CG-OD1 3.43Å; L80-N100 PolarHBondContact N-OD1 3.36Å; L80-N101 CarbonylContact O-C 3.44Å; L80-N101 VanDerWaalsContact O-C 3.24Å; L80-N101 WeakPolarHBondContact O-CA 3.41Å; L80-N101 PolarHBondContact O-N 3.03Å; L80-I102 WeakPolarHBondContact O-CG1 3.48Å; L80-I102 PolarHBondContact O-N 3.17Å
81	N	90.6	Very high	90.4	Very high	99 Å²	99	43.6 Å²	43.6	53%	0.529	23%	0.233	S	C	.	.	S	Bend	trans	-112.8	-19.2	169.7	61.4	3.2	0	0	0	112.6	N101	N81-N101 WeakPolarHBondContact CA-O 3.49Å; N81-N101 WeakPolarHBondContact CB-O 3.14Å
82	N	87	Confident	90.5	Very high	86 Å²	86	39.6 Å²	39.6	46%	0.46	21%	0.214	S	C	.	.			trans	-129.4	129.4	178.3	-176.1	-1.2	0	0	0	109.6	T84	N82-T84 VanDerWaalsContact OD1-CG2 3.26Å; N82-T84 WeakPolarHBondContact OD1-CG2 3.45Å; N82-T84 PolarHBondContact OD1-N 3.44Å; N82-T84 PolarHBondContact OD1-OG1 2.97Å; N82-T84 VanDerWaalsContact OD1-OG1 3.06Å
83	I	89.3	Confident	90.7	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.213	C	C	.	.			trans	-126.3	19.9	-179	59.1	157.2	0	0	0	113.4	I61 L80 S85 I86 I97 I102 L105 P106	I61-I83 HydrophobicContact CD1-CB 4.26Å; I61-I83 HydrophobicContact CD1-CG2 4.15Å; L80-I83 HydrophobicContact CB-CG2 4.31Å; L80-I83 HydrophobicContact CD1-CG2 4.32Å; I83-S85 PolarHBondContact O-N 3.17Å; I83-I86 HydrophobicContact CB-CD1 3.71Å; I83-I86 HydrophobicContact CB-CG1 4.24Å; I83-I86 HydrophobicContact CD1-CD1 4.28Å; I83-I86 HydrophobicContact CG2-CD1 4.1Å; I83-I86 WeakPolarHBondContact O-CG1 3.15Å; I83-I86 PolarHBondContact O-N 3.36Å; I83-I86 VanDerWaalsContact O-N 3.08Å; I83-I97 HydrophobicContact CD1-CD1 3.35Å; I83-I102 HydrophobicContact CD1-CD1 4.17Å; I83-I102 HydrophobicContact CG1-CD1 4.35Å; I83-I102 HydrophobicContact CG1-CG2 4.49Å; I83-I102 HydrophobicContact CG2-CD1 3.57Å; I83-I102 HydrophobicContact CG2-CG1 4.17Å; I83-L105 HydrophobicContact CD1-CD2 4Å; I83-P106 HydrophobicContact CD1-CG 4.21Å; I83-P106 HydrophobicContact CG1-CG 4.14Å
84	T	88.3	Confident	90.9	Very high	73 Å²	73	41.8 Å²	41.8	45%	0.448	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-56.4	-27.7	-178.7	49.9	0	0	0	0	113.4	N82 I86 I87 P106	N82-T84 VanDerWaalsContact OD1-CG2 3.26Å; N82-T84 WeakPolarHBondContact OD1-CG2 3.45Å; N82-T84 PolarHBondContact OD1-N 3.44Å; N82-T84 PolarHBondContact OD1-OG1 2.97Å; N82-T84 VanDerWaalsContact OD1-OG1 3.06Å; T84-I86 PolarHBondContact O-N 2.9Å; T84-I87 WeakPolarHBondContact O-CB 3.14Å; T84-I87 WeakPolarHBondContact O-CD1 3.45Å; T84-I87 VanDerWaalsContact O-CG1 3.29Å; T84-I87 WeakPolarHBondContact O-CG1 3.4Å; T84-I87 PolarHBondContact O-N 2.82Å; T84-P106 HydrophobicContact CG2-CB 4.46Å
85	S	85.6	Confident	91.1	Very high	8 Å²	8	40.1 Å²	40.1	6%	0.056	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-62.7	-23.5	179.1	-45.3	0	0	0	0	113.7	I61 T62 N65 I83 I87 S88	I61-S85 WeakPolarHBondContact O-CB 3.27Å; T62-S85 WeakPolarHBondContact CA-OG 3.5Å; N65-S85 WeakPolarHBondContact OD1-CA 3.3Å; N65-S85 WeakPolarHBondContact OD1-CB 3.43Å; N65-S85 PolarHBondContact OD1-O 3.38Å; I83-S85 PolarHBondContact O-N 3.17Å; S85-I87 PolarHBondContact O-N 2.95Å; S85-S88 WeakPolarHBondContact O-CB 3.43Å; S85-S88 PolarHBondContact O-N 2.96Å; S85-S88 PolarHBondContact O-OG 3.43Å
86	I	89.3	Confident	91.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-67.2	-24.8	-178.8	-56.3	178.7	0	0	0	111.5	I61 L75 I83 T84 S88 C89 L92 L95 I97 L111	I61-I86 HydrophobicContact CD1-CD1 3.85Å; I61-I86 HydrophobicContact CD1-CG1 3.56Å; L75-I86 HydrophobicContact CD1-CD1 3.93Å; I83-I86 HydrophobicContact CB-CD1 3.71Å; I83-I86 HydrophobicContact CB-CG1 4.24Å; I83-I86 HydrophobicContact CD1-CD1 4.28Å; I83-I86 HydrophobicContact CG2-CD1 4.1Å; I83-I86 WeakPolarHBondContact O-CG1 3.15Å; I83-I86 PolarHBondContact O-N 3.36Å; I83-I86 VanDerWaalsContact O-N 3.08Å; T84-I86 PolarHBondContact O-N 2.9Å; I86-S88 PolarHBondContact O-N 2.91Å; I86-S88 VanDerWaalsContact O-N 3.09Å; I86-C89 WeakPolarHBondContact O-CB 3.34Å; I86-C89 PolarHBondContact O-N 2.89Å; I86-L92 HydrophobicContact CG2-CD2 3.73Å; I86-L95 HydrophobicContact CD1-CD1 3.97Å; I86-L95 HydrophobicContact CD1-CD2 3.93Å; I86-L95 HydrophobicContact CG2-CD1 4.36Å; I86-L95 HydrophobicContact CG2-CD2 3.86Å; I86-I97 HydrophobicContact CD1-CG2 3.98Å; I86-L111 HydrophobicContact CG2-CD1 4.12Å; I86-L111 WeakPolarHBondContact O-CD2 3.36Å
87	I	88.2	Confident	91.4	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.185	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-57.3	-27.3	177.4	-58.9	170.2	0	0	0	111.8	T84 S85 C89 P106 R110	T84-I87 WeakPolarHBondContact O-CB 3.14Å; T84-I87 WeakPolarHBondContact O-CD1 3.45Å; T84-I87 VanDerWaalsContact O-CG1 3.29Å; T84-I87 WeakPolarHBondContact O-CG1 3.4Å; T84-I87 PolarHBondContact O-N 2.82Å; S85-I87 PolarHBondContact O-N 2.95Å; I87-C89 VanDerWaalsContact C-N 3.32Å; I87-P106 HydrophobicContact CD1-CB 3.56Å; I87-P106 HydrophobicContact CD1-CG 4.33Å; I87-P106 HydrophobicContact CG1-CB 3.97Å; I87-P106 HydrophobicContact CG1-CG 4.22Å; I87-R110 HydrophobicContact CG2-CB 3.8Å; I87-R110 HydrophobicContact CG2-CG 4.37Å
88	S	86.8	Confident	91.6	Very high	42 Å²	42	37.5 Å²	37.5	29%	0.294	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-72	-24.4	177.7	-56.4	0	0	0	0	113	N65 S85 I86 K90	N65-S88 PolarHBondContact OD1-OG 3Å; S85-S88 WeakPolarHBondContact O-CB 3.43Å; S85-S88 PolarHBondContact O-N 2.96Å; S85-S88 PolarHBondContact O-OG 3.43Å; I86-S88 PolarHBondContact O-N 2.91Å; I86-S88 VanDerWaalsContact O-N 3.09Å; S88-K90 PolarHBondContact O-N 3.19Å
89	C	88.8	Confident	91.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.224	C	C	.	.			trans	-78.2	65.2	178.6	-56.5	0	0	0	0	111	L64 I86 I87 S91 L92 L111	L64-C89 PolarHBondContact O-SG 3Å; I86-C89 WeakPolarHBondContact O-CB 3.34Å; I86-C89 PolarHBondContact O-N 2.89Å; I87-C89 VanDerWaalsContact C-N 3.32Å; C89-S91 PolarHBondContact O-N 3.04Å; C89-L92 HydrophobicContact CB-CB 4.36Å; C89-L92 VanDerWaalsContact O-CB 3.23Å; C89-L92 WeakPolarHBondContact O-CB 3.45Å; C89-L92 PolarHBondContact O-N 3.02Å; C89-L111 WeakPolarHBondContact O-CD2 3.38Å
90	K	88.4	Confident	92.1	Very high	139 Å²	139	38.1 Å²	38.1	60%	0.604	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.6	-170.6	-66.7	179	-178.5	176.3	0	114.9	S88 L92 F113	S88-K90 PolarHBondContact O-N 3.19Å; K90-L92 VanDerWaalsContact C-N 3.29Å; K90-F113 WeakPolarHBondContact O-CD2 3.33Å
91	S	91.4	Very high	92.3	Very high	42 Å²	42	41.9 Å²	41.9	29%	0.294	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	3.6	179.8	-50.9	0	0	0	0	113.7	D68 L70 C89 I93	D68-S91 VanDerWaalsContact O-CB 3.27Å; D68-S91 WeakPolarHBondContact O-CB 3.39Å; D68-S91 PolarHBondContact O-N 3.31Å; D68-S91 PolarHBondContact O-OG 3Å; L70-S91 CarbonylContact O-C 3.55Å; C89-S91 PolarHBondContact O-N 3.04Å; S91-I93 PolarHBondContact O-N 3.15Å
92	L	94.5	Very high	92.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.			trans	-68.3	127.7	-171.5	-158.6	73.4	0	0	0	112.4	L70 L73 I86 C89 K90 L95 L111 F113 L114	L70-L92 HydrophobicContact CD2-CD1 4.39Å; L70-L92 HydrophobicContact CG-CD1 4.25Å; L70-L92 VanDerWaalsContact O-CA 3.24Å; L70-L92 WeakPolarHBondContact O-CA 3.25Å; L70-L92 PolarHBondContact O-N 3.48Å; L70-L92 VanDerWaalsContact O-N 3.13Å; L73-L92 HydrophobicContact CB-CD1 3.68Å; I86-L92 HydrophobicContact CG2-CD2 3.73Å; C89-L92 HydrophobicContact CB-CB 4.36Å; C89-L92 VanDerWaalsContact O-CB 3.23Å; C89-L92 WeakPolarHBondContact O-CB 3.45Å; C89-L92 PolarHBondContact O-N 3.02Å; K90-L92 VanDerWaalsContact C-N 3.29Å; L92-L95 HydrophobicContact CD2-CB 3.75Å; L92-L95 HydrophobicContact CD2-CD1 3.98Å; L92-L95 HydrophobicContact CD2-CD2 4.12Å; L92-L95 HydrophobicContact CD2-CG 4.15Å; L92-L111 HydrophobicContact CD2-CD1 4.32Å; L92-F113 CarbonylContact O-C 3.51Å; L92-L114 HydrophobicContact CD2-CD1 4.17Å; L92-L114 HydrophobicContact CG-CD1 4.27Å; L92-L114 VanDerWaalsContact O-CA 3.26Å; L92-L114 WeakPolarHBondContact O-CA 3.39Å; L92-L114 PolarHBondContact O-N 3.42Å; L92-L114 VanDerWaalsContact O-N 3.08Å
93	I	96.7	Very high	92.7	Very high	61 Å²	61	37.7 Å²	37.7	31%	0.313	20%	0.199	S	C	.	.			trans	-107.2	-39	179.3	-58.2	176.8	0	0	0	110.6	E71 S91 F113 E115 K116	E71-I93 HydrophobicContact CB-CD1 4.14Å; E71-I93 HydrophobicContact CB-CG1 4.29Å; E71-I93 HydrophobicContact CG-CD1 4.22Å; E71-I93 WeakPolarHBondContact O-CA 3.05Å; E71-I93 PolarHBondContact O-N 3.43Å; S91-I93 PolarHBondContact O-N 3.15Å; I93-F113 WeakPolarHBondContact CA-O 3.25Å; I93-F113 HydrophobicContact CG1-CB 4.29Å; I93-E115 HydrophobicContact CG2-CB 4.15Å; I93-E115 HydrophobicContact CG2-CG 4.2Å; I93-E115 PolarHBondContact O-N 3.27Å; I93-K116 PolarHBondContact O-N 2.86Å
94	S	97.4	Very high	92.5	Very high	38 Å²	38	43.2 Å²	43.2	27%	0.266	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.1	-177.8	-172.2	0	0	0	0	111.3	E71 C72 L73 K116	E71-S94 PolarHBondContact O-N 3.04Å; C72-S94 WeakPolarHBondContact CA-O 3.26Å; L73-S94 PolarHBondContact N-O 2.96Å; S94-K116 WeakPolarHBondContact CA-O 3.3Å
95	L	97.6	Very high	92.6	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	123.4	178.3	-178.1	59.2	0	0	0	111.4	L73 I86 L92 I97 L114 K116 L117 N118	L73-L95 HydrophobicContact CB-CD1 3.97Å; L73-L95 HydrophobicContact CD2-CD1 3.86Å; L73-L95 HydrophobicContact CG-CD1 3.91Å; L73-L95 WeakPolarHBondContact O-CA 3.44Å; I86-L95 HydrophobicContact CD1-CD1 3.97Å; I86-L95 HydrophobicContact CD1-CD2 3.93Å; I86-L95 HydrophobicContact CG2-CD1 4.36Å; I86-L95 HydrophobicContact CG2-CD2 3.86Å; L92-L95 HydrophobicContact CD2-CB 3.75Å; L92-L95 HydrophobicContact CD2-CD1 3.98Å; L92-L95 HydrophobicContact CD2-CD2 4.12Å; L92-L95 HydrophobicContact CD2-CG 4.15Å; L95-I97 HydrophobicContact CD1-CG2 3.7Å; L95-I97 HydrophobicContact CD2-CD1 4.49Å; L95-I97 HydrophobicContact CD2-CG2 4.15Å; L95-I97 HydrophobicContact CG-CG2 3.86Å; L95-L114 HydrophobicContact CB-CD1 3.96Å; L95-K116 PolarHBondContact N-O 3.09Å; L95-L117 HydrophobicContact CB-CD1 3.94Å; L95-L117 HydrophobicContact CD2-CD1 3.81Å; L95-L117 HydrophobicContact CG-CD1 4Å; L95-L117 WeakPolarHBondContact O-CA 3.42Å; L95-N118 PolarHBondContact O-N 3.47Å
96	D	97.4	Very high	92.8	Very high	37 Å²	37	40.4 Å²	40.4	20%	0.198	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	117.4	166.5	-160.9	-32.7	0	0	0	109.8	L73 D74 L75 S98 N118	L73-D96 PolarHBondContact O-N 3.13Å; D74-D96 HydrophobicContact CB-CB 4.43Å; L75-D96 WeakPolarHBondContact CA-O 3.35Å; L75-D96 PolarHBondContact N-O 3.47Å; D96-S98 WeakPolarHBondContact OD1-CB 3.44Å; D96-S98 PolarHBondContact OD1-N 2.9Å; D96-S98 PolarHBondContact OD1-OG 2.99Å; D96-N118 HydrophobicContact CB-CB 4.33Å; D96-N118 PolarHBondContact OD1-ND2 3.31Å; D96-N118 PolarHBondContact OD2-ND2 2.91Å
97	I	96.4	Very high	92.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.229	C	C	.	.			trans	-125.4	20.8	174.8	56.7	178.4	0	0	0	110.4	L75 I83 I86 L95 N100 I102 L105 N118 V119 N122	L75-I97 HydrophobicContact CB-CG2 4.17Å; L75-I97 HydrophobicContact CD1-CG2 4.24Å; I83-I97 HydrophobicContact CD1-CD1 3.35Å; I86-I97 HydrophobicContact CD1-CG2 3.98Å; L95-I97 HydrophobicContact CD1-CG2 3.7Å; L95-I97 HydrophobicContact CD2-CD1 4.49Å; L95-I97 HydrophobicContact CD2-CG2 4.15Å; L95-I97 HydrophobicContact CG-CG2 3.86Å; I97-N100 PolarHBondContact O-ND2 2.87Å; I97-I102 HydrophobicContact CB-CD1 3.94Å; I97-I102 HydrophobicContact CD1-CD1 3.68Å; I97-I102 HydrophobicContact CG1-CD1 4.08Å; I97-L105 HydrophobicContact CD1-CD2 4.04Å; I97-N118 WeakPolarHBondContact CG1-O 3.46Å; I97-N118 PolarHBondContact N-O 2.86Å; I97-V119 HydrophobicContact CD1-CB 4.47Å; I97-V119 HydrophobicContact CD1-CG1 3.66Å; I97-V119 HydrophobicContact CG1-CB 4.28Å; I97-V119 HydrophobicContact CG1-CG1 3.73Å; I97-N122 PolarHBondContact O-ND2 2.97Å
98	S	97.5	Very high	92.9	Very high	8 Å²	8	43.4 Å²	43.4	6%	0.056	22%	0.22	C	C	.	.			trans	-62	156.4	-178.6	61.6	0	0	0	0	112.6	S76 N77 D96 N100 N118 S120	S76-S98 CarbonylContact C-O 3.3Å; S76-S98 WeakPolarHBondContact CA-O 3.09Å; S76-S98 WeakPolarHBondContact CB-OG 3.47Å; N77-S98 PolarHBondContact N-O 2.96Å; D96-S98 WeakPolarHBondContact OD1-CB 3.44Å; D96-S98 PolarHBondContact OD1-N 2.9Å; D96-S98 PolarHBondContact OD1-OG 2.99Å; S98-N100 VanDerWaalsContact C-N 3.34Å; S98-N100 PolarHBondContact O-N 3.45Å; S98-N100 PolarHBondContact O-ND2 3.42Å; S98-N118 PolarHBondContact N-O 2.71Å; S98-S120 CarbonylContact C-O 3.23Å; S98-S120 WeakPolarHBondContact CA-O 3.24Å; S98-S120 VanDerWaalsContact CB-O 3.27Å; S98-S120 WeakPolarHBondContact CB-O 3.48Å; S98-S120 WeakPolarHBondContact CB-OG 3.1Å
99	K	96.2	Very high	92.8	Very high	117 Å²	117	44.6 Å²	44.6	51%	0.509	22%	0.223	S	C	.	.	S	Bend	trans	54	49.8	178.4	-56	174.3	-177.7	175.3	0	112.3	N77 N78 S120 H121	N77-K99 VanDerWaalsContact CA-O 3.25Å; N77-K99 WeakPolarHBondContact CA-O 3.5Å; N77-K99 HydrophobicContact CB-CB 4.36Å; N77-K99 PolarHBondContact N-O 3.34Å; N78-K99 PolarHBondContact N-O 3.44Å; K99-S120 PolarHBondContact N-O 3.2Å; K99-H121 HydrophobicContact CB-CB 4.41Å; K99-H121 HydrophobicContact CG-CB 3.83Å
100	N	95.9	Very high	92.9	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.07	25%	0.248	C	C	.	.	S	Bend	trans	-118.1	-166.5	170.3	-83.2	-78.2	0	0	0	108.6	L75 N78 F79 L80 I97 S98 I102 N122	L75-N100 PolarHBondContact O-ND2 3Å; N78-N100 VanDerWaalsContact CA-OD1 3.28Å; N78-N100 WeakPolarHBondContact CA-OD1 3.4Å; N78-N100 WeakPolarHBondContact CB-OD1 3.42Å; N78-N100 PolarHBondContact N-OD1 2.97Å; N78-N100 PolarHBondContact O-OD1 3.22Å; N78-N100 VanDerWaalsContact O-OD1 3.13Å; F79-N100 PolarHBondContact N-OD1 3.39Å; L80-N100 HydrophobicContact CB-CB 4.21Å; L80-N100 VanDerWaalsContact CB-OD1 3.28Å; L80-N100 WeakPolarHBondContact CB-OD1 3.36Å; L80-N100 WeakPolarHBondContact CG-OD1 3.43Å; L80-N100 PolarHBondContact N-OD1 3.36Å; I97-N100 PolarHBondContact O-ND2 2.87Å; S98-N100 VanDerWaalsContact C-N 3.34Å; S98-N100 PolarHBondContact O-N 3.45Å; S98-N100 PolarHBondContact O-ND2 3.42Å; N100-I102 HydrophobicContact CB-CD1 4.02Å; N100-I102 HydrophobicContact CB-CG1 3.96Å; N100-N122 VanDerWaalsContact CA-OD1 3.26Å; N100-N122 WeakPolarHBondContact CA-OD1 3.31Å; N100-N122 WeakPolarHBondContact CB-OD1 3.38Å; N100-N122 PolarHBondContact N-OD1 2.92Å; N100-N122 PolarHBondContact O-OD1 3.47Å; N100-N122 VanDerWaalsContact O-OD1 3.11Å
101	N	95	Very high	93.1	Very high	79 Å²	79	44.9 Å²	44.9	42%	0.422	22%	0.221	S	C	.	.			trans	-116.6	43.4	176.8	-166.4	40.2	0	0	0	111.7	L80 N81 N122	L80-N101 CarbonylContact O-C 3.44Å; L80-N101 VanDerWaalsContact O-C 3.24Å; L80-N101 WeakPolarHBondContact O-CA 3.41Å; L80-N101 PolarHBondContact O-N 3.03Å; N81-N101 WeakPolarHBondContact CA-O 3.49Å; N81-N101 WeakPolarHBondContact CB-O 3.14Å; N101-N122 PolarHBondContact N-OD1 3.4Å
102	I	94.9	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.			trans	-83.3	128	-175.1	-56.8	168.6	0	0	0	109.8	L80 I83 I97 N100 E104 L105 N122 P123 L124	L80-I102 WeakPolarHBondContact O-CG1 3.48Å; L80-I102 PolarHBondContact O-N 3.17Å; I83-I102 HydrophobicContact CD1-CD1 4.17Å; I83-I102 HydrophobicContact CG1-CD1 4.35Å; I83-I102 HydrophobicContact CG1-CG2 4.49Å; I83-I102 HydrophobicContact CG2-CD1 3.57Å; I83-I102 HydrophobicContact CG2-CG1 4.17Å; I97-I102 HydrophobicContact CB-CD1 3.94Å; I97-I102 HydrophobicContact CD1-CD1 3.68Å; I97-I102 HydrophobicContact CG1-CD1 4.08Å; N100-I102 HydrophobicContact CB-CD1 4.02Å; N100-I102 HydrophobicContact CB-CG1 3.96Å; I102-E104 WeakPolarHBondContact CG2-O 3.21Å; I102-L105 HydrophobicContact CG2-CD2 4.26Å; I102-N122 HydrophobicContact CB-CB 4.12Å; I102-N122 WeakPolarHBondContact CB-OD1 3.48Å; I102-N122 WeakPolarHBondContact CG1-OD1 3.43Å; I102-N122 PolarHBondContact N-OD1 3.15Å; I102-P123 CarbonylContact O-C 3.18Å; I102-P123 WeakPolarHBondContact O-CD 3.42Å; I102-L124 HydrophobicContact CG2-CD2 4.11Å
103	H	90.9	Very high	93	Very high	97 Å²	97	51.6 Å²	51.6	45%	0.449	25%	0.251	S	S	.	.			trans	-101.8	-26.6	178.4	-69	-68.1	0	0	0	113.8	P123 L124 G125 N126	H103-P123 WeakPolarHBondContact CA-O 3.27Å; H103-P123 WeakPolarHBondContact CE1-CG 3.48Å; H103-P123 PolarHBondContact ND1-O 3.38Å; H103-L124 CarbonylContact O-C 3.6Å; H103-L124 WeakPolarHBondContact O-CA 3.44Å; H103-G125 PolarHBondContact O-N 3.33Å; H103-N126 PolarHBondContact O-N 3.06Å
104	E	86.4	Confident	93	Very high	117 Å²	117	48.9 Å²	48.9	55%	0.547	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-143.2	138.5	-178.1	-179.5	163	-143.5	0	0	109.9	I102 N126	I102-E104 WeakPolarHBondContact CG2-O 3.21Å; E104-N126 HydrophobicContact CG-CB 4.23Å; E104-N126 PolarHBondContact OE1-ND2 3.44Å
105	L	89.6	Confident	93	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	24%	0.237	C	C	.	.			trans	-89.8	135.3	174.5	-62.1	175.9	0	0	0	109.6	I83 I97 I102 L108 V119 L124 L130	I83-L105 HydrophobicContact CD1-CD2 4Å; I97-L105 HydrophobicContact CD1-CD2 4.04Å; I102-L105 HydrophobicContact CG2-CD2 4.26Å; L105-L108 HydrophobicContact CD1-CD1 4.48Å; L105-V119 HydrophobicContact CD1-CG1 4.3Å; L105-V119 HydrophobicContact CD2-CG1 4.05Å; L105-L124 HydrophobicContact CD1-CD1 4.31Å; L105-L124 HydrophobicContact CD2-CD2 4.1Å; L105-L124 HydrophobicContact CG-CD2 3.96Å; L105-L130 HydrophobicContact CD1-CD1 4.1Å; L105-L130 HydrophobicContact CD1-CD2 3.85Å; L105-L130 HydrophobicContact CD1-CG 3.77Å
106	P	89.5	Confident	93.1	Very high	17 Å²	17	55.2 Å²	55.2	11%	0.11	26%	0.261	C	S	.	.			trans	-64.1	172.8	170.2	28	-32.5	0	0	0	111	I83 T84 I87 L108 G129	I83-P106 HydrophobicContact CD1-CG 4.21Å; I83-P106 HydrophobicContact CG1-CG 4.14Å; T84-P106 HydrophobicContact CG2-CB 4.46Å; I87-P106 HydrophobicContact CD1-CB 3.56Å; I87-P106 HydrophobicContact CD1-CG 4.33Å; I87-P106 HydrophobicContact CG1-CB 3.97Å; I87-P106 HydrophobicContact CG1-CG 4.22Å; P106-L108 VanDerWaalsContact C-N 3.3Å; P106-L108 HydrophobicContact CG-CD2 3.91Å; P106-L108 WeakPolarHBondContact O-CG 3.27Å; P106-L108 PolarHBondContact O-N 2.86Å; P106-G129 CarbonylContact O-C 3.24Å; P106-G129 VanDerWaalsContact O-CA 3.25Å; P106-G129 WeakPolarHBondContact O-CA 3.32Å
107	E	87.6	Confident	93.1	Very high	98 Å²	98	53.5 Å²	53.5	46%	0.458	25%	0.252	S	S	.	.			trans	-64.4	86.1	172.9	-67.5	-178.8	175.6	0	0	111.2	N109 R110	E107-N109 PolarHBondContact O-N 2.82Å; E107-N109 PolarHBondContact O-OD1 2.75Å; E107-R110 HydrophobicContact CB-CG 4.32Å; E107-R110 WeakPolarHBondContact O-CB 3.34Å; E107-R110 WeakPolarHBondContact O-CG 3.3Å; E107-R110 PolarHBondContact O-N 3.36Å; E107-R110 IonicContact OE2-CZ 3.2Å; E107-R110 IonicContact OE2-NE 2.89Å; E107-R110 PolarHBondContact OE2-NE 2.91Å; E107-R110 IonicContact OE2-NH2 2.73Å; E107-R110 PolarHBondContact OE2-NH2 3.3Å
108	L	92.4	Very high	93.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-73.5	-10.1	-177.1	-65.9	-179.1	0	0	0	112.5	L105 P106 R110 L111 L117 G129 L130	L105-L108 HydrophobicContact CD1-CD1 4.48Å; P106-L108 VanDerWaalsContact C-N 3.3Å; P106-L108 HydrophobicContact CG-CD2 3.91Å; P106-L108 WeakPolarHBondContact O-CG 3.27Å; P106-L108 PolarHBondContact O-N 2.86Å; L108-R110 PolarHBondContact O-N 3.05Å; L108-L111 HydrophobicContact CD2-CD1 3.86Å; L108-L111 WeakPolarHBondContact O-CB 3.38Å; L108-L111 PolarHBondContact O-N 3.42Å; L108-L117 HydrophobicContact CD1-CD1 4.47Å; L108-L117 HydrophobicContact CD1-CD2 3.53Å; L108-G129 PolarHBondContact N-O 3.45Å; L108-L130 HydrophobicContact CD1-CD2 3.98Å
109	N	85.2	Confident	93.2	Very high	67 Å²	67	54.2 Å²	54.2	36%	0.358	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-61.8	-17.4	168.7	64.7	4.6	0	0	0	113.1	E107 L111 W131	E107-N109 PolarHBondContact O-N 2.82Å; E107-N109 PolarHBondContact O-OD1 2.75Å; N109-L111 PolarHBondContact O-N 3.2Å; N109-W131 WeakPolarHBondContact CB-O 3.4Å; N109-W131 PolarHBondContact ND2-O 2.51Å
110	R	90	Very high	93.3	Very high	140 Å²	140	49.1 Å²	49.1	53%	0.528	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-73	-8.6	171.6	-62.1	-179.4	-176.3	-161.1	1.7	113.4	I87 E107 L108 P112	I87-R110 HydrophobicContact CG2-CB 3.8Å; I87-R110 HydrophobicContact CG2-CG 4.37Å; E107-R110 HydrophobicContact CB-CG 4.32Å; E107-R110 WeakPolarHBondContact O-CB 3.34Å; E107-R110 WeakPolarHBondContact O-CG 3.3Å; E107-R110 PolarHBondContact O-N 3.36Å; E107-R110 IonicContact OE2-CZ 3.2Å; E107-R110 IonicContact OE2-NE 2.89Å; E107-R110 PolarHBondContact OE2-NE 2.91Å; E107-R110 IonicContact OE2-NH2 2.73Å; E107-R110 PolarHBondContact OE2-NH2 3.3Å; L108-R110 PolarHBondContact O-N 3.05Å; R110-P112 WeakPolarHBondContact O-CD 3.22Å
111	L	93.3	Very high	93.3	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.026	25%	0.25	C	S	.	.			trans	-99.5	86.6	172.2	-59	178.1	0	0	0	108.8	I86 C89 L92 L108 N109 F113 L114	I86-L111 HydrophobicContact CG2-CD1 4.12Å; I86-L111 WeakPolarHBondContact O-CD2 3.36Å; C89-L111 WeakPolarHBondContact O-CD2 3.38Å; L92-L111 HydrophobicContact CD2-CD1 4.32Å; L108-L111 HydrophobicContact CD2-CD1 3.86Å; L108-L111 WeakPolarHBondContact O-CB 3.38Å; L108-L111 PolarHBondContact O-N 3.42Å; N109-L111 PolarHBondContact O-N 3.2Å; L111-F113 PolarHBondContact O-N 3.22Å; L111-F113 VanDerWaalsContact O-N 3.16Å; L111-L114 HydrophobicContact CB-CB 4Å; L111-L114 HydrophobicContact CD1-CD2 4.29Å; L111-L114 PolarHBondContact O-N 3.21Å
112	P	89.1	Confident	93.4	Very high	62 Å²	62	49 Å²	49	40%	0.403	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.1	-167.6	26.3	-36.1	0	0	0	113.3	R110 N135	R110-P112 WeakPolarHBondContact O-CD 3.22Å; P112-N135 PolarHBondContact O-ND2 3.31Å
113	F	94.2	Very high	93.3	Very high	122 Å²	122	50.6 Å²	50.6	54%	0.535	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	2.6	-175.8	-58.1	-67.1	0	0	0	114.3	K90 L92 I93 L111 E115	K90-F113 WeakPolarHBondContact O-CD2 3.33Å; L92-F113 CarbonylContact O-C 3.51Å; I93-F113 WeakPolarHBondContact CA-O 3.25Å; I93-F113 HydrophobicContact CG1-CB 4.29Å; L111-F113 PolarHBondContact O-N 3.22Å; L111-F113 VanDerWaalsContact O-N 3.16Å; F113-E115 PolarHBondContact O-N 2.73Å; F113-E115 VanDerWaalsContact O-N 3.1Å
114	L	96.7	Very high	93.2	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	22%	0.221	C	C	.	.			trans	-66.7	113.4	-174.7	-169.7	71.5	0	0	0	110.9	L92 L95 L111 L117 N135 L136	L92-L114 HydrophobicContact CD2-CD1 4.17Å; L92-L114 HydrophobicContact CG-CD1 4.27Å; L92-L114 VanDerWaalsContact O-CA 3.26Å; L92-L114 WeakPolarHBondContact O-CA 3.39Å; L92-L114 PolarHBondContact O-N 3.42Å; L92-L114 VanDerWaalsContact O-N 3.08Å; L95-L114 HydrophobicContact CB-CD1 3.96Å; L111-L114 HydrophobicContact CB-CB 4Å; L111-L114 HydrophobicContact CD1-CD2 4.29Å; L111-L114 PolarHBondContact O-N 3.21Å; L114-L117 HydrophobicContact CD2-CB 4.41Å; L114-L117 HydrophobicContact CD2-CD2 4.48Å; L114-N135 CarbonylContact O-C 3.44Å; L114-N135 VanDerWaalsContact O-C 3.31Å; L114-L136 HydrophobicContact CD2-CD1 4.13Å; L114-L136 HydrophobicContact CG-CD1 3.97Å; L114-L136 WeakPolarHBondContact O-CA 3.41Å; L114-L136 PolarHBondContact O-N 3.25Å
115	E	97.9	Very high	92.9	Very high	58 Å²	58	42.9 Å²	42.9	27%	0.271	22%	0.218	S	C	.	.			trans	-105.5	-30.8	179.1	-66.9	-156.2	174.7	0	0	113	I93 F113 R137 Y138	I93-E115 HydrophobicContact CG2-CB 4.15Å; I93-E115 HydrophobicContact CG2-CG 4.2Å; I93-E115 PolarHBondContact O-N 3.27Å; F113-E115 PolarHBondContact O-N 2.73Å; F113-E115 VanDerWaalsContact O-N 3.1Å; E115-R137 PolarHBondContact O-N 2.95Å; E115-R137 IonicContact OE1-CZ 3.76Å; E115-R137 IonicContact OE1-NH1 3.3Å; E115-R137 IonicContact OE1-NH2 3.81Å; E115-R137 IonicContact OE2-CZ 2.99Å; E115-R137 IonicContact OE2-NE 3.87Å; E115-R137 IonicContact OE2-NH1 3.27Å; E115-R137 PolarHBondContact OE2-NH1 3.47Å; E115-Y138 PolarHBondContact O-N 3.45Å
116	K	98.4	Very high	92.5	Very high	114 Å²	114	45 Å²	45	50%	0.496	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.1	-176.5	-55.7	-175.8	179.7	172	0	111.5	I93 S94 L95 Y138	I93-K116 PolarHBondContact O-N 2.86Å; S94-K116 WeakPolarHBondContact CA-O 3.3Å; L95-K116 PolarHBondContact N-O 3.09Å; K116-Y138 HydrophobicContact CB-CD1 4.29Å
117	L	98.3	Very high	92.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.2	179.1	178.6	62.1	0	0	0	110.7	L95 L108 L114 V119 L130 L136 Y138 L139 D140	L95-L117 HydrophobicContact CB-CD1 3.94Å; L95-L117 HydrophobicContact CD2-CD1 3.81Å; L95-L117 HydrophobicContact CG-CD1 4Å; L95-L117 WeakPolarHBondContact O-CA 3.42Å; L108-L117 HydrophobicContact CD1-CD1 4.47Å; L108-L117 HydrophobicContact CD1-CD2 3.53Å; L114-L117 HydrophobicContact CD2-CB 4.41Å; L114-L117 HydrophobicContact CD2-CD2 4.48Å; L117-V119 HydrophobicContact CD1-CG1 3.71Å; L117-V119 HydrophobicContact CD2-CG1 3.98Å; L117-V119 HydrophobicContact CG-CG1 3.7Å; L117-L130 HydrophobicContact CD2-CD2 3.45Å; L117-L130 VanDerWaalsContact CD2-CD2 3.45Å; L117-L136 HydrophobicContact CB-CD1 3.7Å; L117-L136 HydrophobicContact CB-CD2 4.4Å; L117-Y138 PolarHBondContact N-O 3.36Å; L117-L139 HydrophobicContact CB-CD1 4.2Å; L117-L139 HydrophobicContact CD2-CD1 3.96Å; L117-L139 HydrophobicContact CG-CD1 4.09Å; L117-L139 WeakPolarHBondContact O-CA 3.33Å; L117-D140 PolarHBondContact O-N 3.11Å
118	N	98.4	Very high	92	Very high	24 Å²	24	42.5 Å²	42.5	13%	0.128	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114	170.6	-177.3	6	0	0	0	109.3	L95 D96 I97 S98 S120 D140	L95-N118 PolarHBondContact O-N 3.47Å; D96-N118 HydrophobicContact CB-CB 4.33Å; D96-N118 PolarHBondContact OD1-ND2 3.31Å; D96-N118 PolarHBondContact OD2-ND2 2.91Å; I97-N118 WeakPolarHBondContact CG1-O 3.46Å; I97-N118 PolarHBondContact N-O 2.86Å; S98-N118 PolarHBondContact N-O 2.71Å; N118-S120 WeakPolarHBondContact OD1-CB 3.31Å; N118-S120 PolarHBondContact OD1-N 3.22Å; N118-S120 VanDerWaalsContact OD1-N 3.11Å; N118-S120 PolarHBondContact OD1-OG 2.92Å; N118-D140 HydrophobicContact CB-CB 4.48Å
119	V	97.4	Very high	91.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.			trans	-117.7	11.1	176.8	-55.2	0	0	0	0	112.2	I97 L105 L117 N122 L124 D140 M141 C144	I97-V119 HydrophobicContact CD1-CB 4.47Å; I97-V119 HydrophobicContact CD1-CG1 3.66Å; I97-V119 HydrophobicContact CG1-CB 4.28Å; I97-V119 HydrophobicContact CG1-CG1 3.73Å; L105-V119 HydrophobicContact CD1-CG1 4.3Å; L105-V119 HydrophobicContact CD2-CG1 4.05Å; L117-V119 HydrophobicContact CD1-CG1 3.71Å; L117-V119 HydrophobicContact CD2-CG1 3.98Å; L117-V119 HydrophobicContact CG-CG1 3.7Å; V119-N122 WeakPolarHBondContact O-CB 3.37Å; V119-N122 PolarHBondContact O-N 3.47Å; V119-N122 PolarHBondContact O-ND2 2.89Å; V119-L124 HydrophobicContact CB-CD1 4.32Å; V119-L124 HydrophobicContact CG2-CD1 3.75Å; V119-D140 WeakPolarHBondContact CG2-O 3.48Å; V119-D140 PolarHBondContact N-O 3.29Å; V119-M141 HydrophobicContact CG2-CB 4.22Å; V119-M141 HydrophobicContact CG2-CG 3.54Å; V119-C144 PolarHBondContact O-SG 2.84Å
120	S	97.8	Very high	91.8	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.07	21%	0.208	C	C	.	.			trans	-52.8	150	-176.2	59.2	0	0	0	0	112.9	S98 K99 N118 N122 D140 T142	S98-S120 CarbonylContact C-O 3.23Å; S98-S120 WeakPolarHBondContact CA-O 3.24Å; S98-S120 VanDerWaalsContact CB-O 3.27Å; S98-S120 WeakPolarHBondContact CB-O 3.48Å; S98-S120 WeakPolarHBondContact CB-OG 3.1Å; K99-S120 PolarHBondContact N-O 3.2Å; N118-S120 WeakPolarHBondContact OD1-CB 3.31Å; N118-S120 PolarHBondContact OD1-N 3.22Å; N118-S120 VanDerWaalsContact OD1-N 3.11Å; N118-S120 PolarHBondContact OD1-OG 2.92Å; S120-N122 VanDerWaalsContact C-N 3.29Å; S120-N122 PolarHBondContact O-N 3.21Å; S120-N122 PolarHBondContact O-ND2 3.39Å; S120-D140 PolarHBondContact N-O 3.39Å; S120-T142 CarbonylContact C-O 3.56Å; S120-T142 VanDerWaalsContact CA-O 3.27Å; S120-T142 WeakPolarHBondContact CA-O 3.47Å; S120-T142 WeakPolarHBondContact CB-O 3.47Å
121	H	96.7	Very high	91.5	Very high	87 Å²	87	36 Å²	36	40%	0.403	20%	0.195	S	C	.	.	S	Bend	trans	56.8	39.7	-178.7	-55.8	-82	0	0	0	113.8	K99 T142	K99-H121 HydrophobicContact CB-CB 4.41Å; K99-H121 HydrophobicContact CG-CB 3.83Å; H121-T142 PolarHBondContact N-O 3.13Å
122	N	96.5	Very high	91	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.201	C	C	.	.			trans	-119.5	135.4	166.7	-77.7	-78.7	0	0	0	109.7	I97 N100 N101 I102 V119 S120 L124 C144	I97-N122 PolarHBondContact O-ND2 2.97Å; N100-N122 VanDerWaalsContact CA-OD1 3.26Å; N100-N122 WeakPolarHBondContact CA-OD1 3.31Å; N100-N122 WeakPolarHBondContact CB-OD1 3.38Å; N100-N122 PolarHBondContact N-OD1 2.92Å; N100-N122 PolarHBondContact O-OD1 3.47Å; N100-N122 VanDerWaalsContact O-OD1 3.11Å; N101-N122 PolarHBondContact N-OD1 3.4Å; I102-N122 HydrophobicContact CB-CB 4.12Å; I102-N122 WeakPolarHBondContact CB-OD1 3.48Å; I102-N122 WeakPolarHBondContact CG1-OD1 3.43Å; I102-N122 PolarHBondContact N-OD1 3.15Å; V119-N122 WeakPolarHBondContact O-CB 3.37Å; V119-N122 PolarHBondContact O-N 3.47Å; V119-N122 PolarHBondContact O-ND2 2.89Å; S120-N122 VanDerWaalsContact C-N 3.29Å; S120-N122 PolarHBondContact O-N 3.21Å; S120-N122 PolarHBondContact O-ND2 3.39Å; N122-L124 HydrophobicContact CB-CD2 4.35Å; N122-L124 HydrophobicContact CB-CG 4.21Å; N122-L124 PolarHBondContact O-N 3.45Å; N122-C144 CarbonylContact O-C 3.49Å; N122-C144 WeakPolarHBondContact O-CA 3.45Å; N122-C144 WeakPolarHBondContact O-CB 3.38Å
123	P	92.7	Very high	91	Very high	35 Å²	35	33.8 Å²	33.8	23%	0.227	18%	0.183	C	C	.	.			trans	-75.5	65.5	-179	32.9	-37.2	0	0	0	112.7	I102 H103 G125	I102-P123 CarbonylContact O-C 3.18Å; I102-P123 WeakPolarHBondContact O-CD 3.42Å; H103-P123 WeakPolarHBondContact CA-O 3.27Å; H103-P123 WeakPolarHBondContact CE1-CG 3.48Å; H103-P123 PolarHBondContact ND1-O 3.38Å; P123-G125 PolarHBondContact O-N 3.32Å
124	L	89.4	Confident	90.7	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	18%	0.178	C	C	.	.			trans	-66.9	112.9	-176	-65.7	177.3	0	0	0	111.3	I102 H103 L105 V119 N122 I127 C144 L146	I102-L124 HydrophobicContact CG2-CD2 4.11Å; H103-L124 CarbonylContact O-C 3.6Å; H103-L124 WeakPolarHBondContact O-CA 3.44Å; L105-L124 HydrophobicContact CD1-CD1 4.31Å; L105-L124 HydrophobicContact CD2-CD2 4.1Å; L105-L124 HydrophobicContact CG-CD2 3.96Å; V119-L124 HydrophobicContact CB-CD1 4.32Å; V119-L124 HydrophobicContact CG2-CD1 3.75Å; N122-L124 HydrophobicContact CB-CD2 4.35Å; N122-L124 HydrophobicContact CB-CG 4.21Å; N122-L124 PolarHBondContact O-N 3.45Å; L124-I127 HydrophobicContact CB-CG2 4.4Å; L124-I127 HydrophobicContact CD1-CG2 4.2Å; L124-C144 HydrophobicContact CB-CB 4.41Å; L124-C144 HydrophobicContact CD1-CB 4.12Å; L124-C144 HydrophobicContact CG-CB 4.36Å; L124-C144 PolarHBondContact N-O 2.92Å; L124-L146 HydrophobicContact CB-CD2 4.2Å
125	G	80.7	Confident	90.5	Very high	48 Å²	48	35.3 Å²	35.3	50%	0.495	20%	0.196	S	C	.	.	S	Bend	trans	-88.9	-16.8	171.5	0	0	0	0	0	113.5	H103 P123 L150	H103-G125 PolarHBondContact O-N 3.33Å; P123-G125 PolarHBondContact O-N 3.32Å; G125-L150 WeakPolarHBondContact O-CD2 3.4Å
126	N	80	Confident	90.4	Very high	49 Å²	49	32.6 Å²	32.6	26%	0.262	18%	0.183	S	C	.	.	B	Isolated β-bridge	trans	-148.2	139.9	177	-173.3	10.5	0	0	0	110.6	H103 E104 S128	H103-N126 PolarHBondContact O-N 3.06Å; E104-N126 HydrophobicContact CG-CB 4.23Å; E104-N126 PolarHBondContact OE1-ND2 3.44Å; N126-S128 PolarHBondContact ND2-OG 2.82Å; N126-S128 WeakPolarHBondContact OD1-CB 3.36Å; N126-S128 PolarHBondContact OD1-N 2.93Å; N126-S128 PolarHBondContact OD1-OG 3.17Å
127	I	86.3	Confident	90.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.			trans	-121.2	4.7	178.3	61.5	164.6	0	0	0	113.4	L124 G129 L130 L146 L150 L151 T190	L124-I127 HydrophobicContact CB-CG2 4.4Å; L124-I127 HydrophobicContact CD1-CG2 4.2Å; I127-G129 PolarHBondContact O-N 3.11Å; I127-L130 HydrophobicContact CB-CD1 4.18Å; I127-L130 WeakPolarHBondContact O-CB 3.39Å; I127-L130 PolarHBondContact O-N 2.87Å; I127-L146 HydrophobicContact CG2-CD2 3.93Å; I127-L150 HydrophobicContact CD1-CB 4.4Å; I127-L150 HydrophobicContact CG1-CB 4.25Å; I127-L151 HydrophobicContact CD1-CD2 3.74Å; I127-T190 HydrophobicContact CD1-CG2 4.09Å; I127-T190 HydrophobicContact CG1-CG2 4.01Å; I127-T190 VanDerWaalsContact O-CG2 3.27Å; I127-T190 WeakPolarHBondContact O-CG2 3.48Å
128	S	80.8	Confident	90.4	Very high	62 Å²	62	35.2 Å²	35.2	43%	0.434	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-56.2	-26.1	-177.4	62.4	0	0	0	0	113.5	N126 L130 W131	N126-S128 PolarHBondContact ND2-OG 2.82Å; N126-S128 WeakPolarHBondContact OD1-CB 3.36Å; N126-S128 PolarHBondContact OD1-N 2.93Å; N126-S128 PolarHBondContact OD1-OG 3.17Å; S128-L130 PolarHBondContact O-N 3.4Å; S128-L130 VanDerWaalsContact O-N 3.15Å; S128-W131 WeakPolarHBondContact O-CB 3.37Å; S128-W131 PolarHBondContact O-N 2.83Å
129	G	84.4	Confident	90.4	Very high	5 Å²	5	34 Å²	34	5%	0.052	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60.8	-16.4	174.6	0	0	0	0	0	115.4	P106 L108 I127 W131	P106-G129 CarbonylContact O-C 3.24Å; P106-G129 VanDerWaalsContact O-CA 3.25Å; P106-G129 WeakPolarHBondContact O-CA 3.32Å; L108-G129 PolarHBondContact N-O 3.45Å; I127-G129 PolarHBondContact O-N 3.11Å; G129-W131 VanDerWaalsContact C-N 3.33Å
130	L	89.2	Confident	90.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-79.7	-14.3	173.5	-65.7	172.7	0	0	0	113.6	L105 L108 L117 I127 S128 G132 C133 L139 M141 T190 I194	L105-L130 HydrophobicContact CD1-CD1 4.1Å; L105-L130 HydrophobicContact CD1-CD2 3.85Å; L105-L130 HydrophobicContact CD1-CG 3.77Å; L108-L130 HydrophobicContact CD1-CD2 3.98Å; L117-L130 HydrophobicContact CD2-CD2 3.45Å; L117-L130 VanDerWaalsContact CD2-CD2 3.45Å; I127-L130 HydrophobicContact CB-CD1 4.18Å; I127-L130 WeakPolarHBondContact O-CB 3.39Å; I127-L130 PolarHBondContact O-N 2.87Å; S128-L130 PolarHBondContact O-N 3.4Å; S128-L130 VanDerWaalsContact O-N 3.15Å; L130-G132 PolarHBondContact O-N 2.73Å; L130-C133 WeakPolarHBondContact O-CB 3.42Å; L130-C133 PolarHBondContact O-N 3.11Å; L130-C133 PolarHBondContact O-SG 2.8Å; L130-C133 VanDerWaalsContact O-SG 3.35Å; L130-L139 HydrophobicContact CD1-CD2 4Å; L130-L139 HydrophobicContact CD2-CD1 4.49Å; L130-M141 HydrophobicContact CD1-SD 3.94Å; L130-T190 HydrophobicContact CB-CG2 4.28Å; L130-I194 HydrophobicContact CB-CD1 3.93Å
131	W	83.8	Confident	90.4	Very high	67 Å²	67	34.3 Å²	34.3	25%	0.254	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	128	-176.7	177.7	-91.8	0	0	0	111.3	N109 S128 G129 Y188 P189 L228	N109-W131 WeakPolarHBondContact CB-O 3.4Å; N109-W131 PolarHBondContact ND2-O 2.51Å; S128-W131 WeakPolarHBondContact O-CB 3.37Å; S128-W131 PolarHBondContact O-N 2.83Å; G129-W131 VanDerWaalsContact C-N 3.33Å; W131-Y188 HydrophobicContact CH2-CD1 4.5Å; W131-Y188 HydrophobicContact CH2-CD2 4.02Å; W131-Y188 AromaticContact CH2-CG 3.69Å; W131-Y188 HydrophobicContact CH2-CG 3.69Å; W131-Y188 HydrophobicContact CZ2-CD2 4.15Å; W131-Y188 HydrophobicContact CZ2-CG 4.25Å; W131-Y188 VanDerWaalsContact CZ3-CB 3.45Å; W131-Y188 HydrophobicContact CZ3-CG 4.38Å; W131-P189 WeakPolarHBondContact CZ3-O 3.47Å; W131-L228 HydrophobicContact CH2-CD2 3.05Å; W131-L228 HydrophobicContact CH2-CG 3.79Å; W131-L228 HydrophobicContact CZ2-CD2 3.39Å; W131-L228 HydrophobicContact CZ2-CG 4.24Å; W131-L228 HydrophobicContact CZ3-CD2 3.75Å
132	G	82.2	Confident	90.4	Very high	14 Å²	14	31 Å²	31	14%	0.144	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	10.9	177.9	0	0	0	0	0	114.4	L130 M134 G193	L130-G132 PolarHBondContact O-N 2.73Å; G132-M134 WeakPolarHBondContact O-CG 3.24Å; G132-M134 PolarHBondContact O-N 3.08Å; G132-G193 WeakPolarHBondContact CA-O 3.42Å; G132-G193 PolarHBondContact N-O 3.45Å
133	C	89.7	Confident	90.3	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.034	18%	0.18	C	C	.	.			trans	-69.2	74.2	168.1	-68.1	0	0	0	0	110.8	L130 N135 L136 I194	L130-C133 WeakPolarHBondContact O-CB 3.42Å; L130-C133 PolarHBondContact O-N 3.11Å; L130-C133 PolarHBondContact O-SG 2.8Å; L130-C133 VanDerWaalsContact O-SG 3.35Å; C133-N135 PolarHBondContact O-N 2.81Å; C133-N135 VanDerWaalsContact O-N 3.15Å; C133-L136 HydrophobicContact CB-CB 3.93Å; C133-L136 HydrophobicContact CB-CD2 4.45Å; C133-L136 PolarHBondContact O-N 3.29Å; C133-L136 VanDerWaalsContact O-N 3.17Å; C133-I194 WeakPolarHBondContact O-CG2 3.47Å
134	M	87	Confident	90.4	Very high	87 Å²	87	30.6 Å²	30.6	43%	0.429	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.7	-168	-65	-58.3	177.9	0	0	114.5	G132 P195 Q196	G132-M134 WeakPolarHBondContact O-CG 3.24Å; G132-M134 PolarHBondContact O-N 3.08Å; M134-P195 HydrophobicContact SD-CG 3.76Å; M134-Q196 WeakPolarHBondContact O-CB 3.19Å; M134-Q196 WeakPolarHBondContact O-CG 3.5Å
135	N	92.9	Very high	90.4	Very high	71 Å²	71	37 Å²	37	38%	0.38	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-3.1	-178.7	-72.4	-36.1	0	0	0	113.9	P112 L114 C133 R137	P112-N135 PolarHBondContact O-ND2 3.31Å; L114-N135 CarbonylContact O-C 3.44Å; L114-N135 VanDerWaalsContact O-C 3.31Å; C133-N135 PolarHBondContact O-N 2.81Å; C133-N135 VanDerWaalsContact O-N 3.15Å; N135-R137 PolarHBondContact O-N 3.04Å
136	L	96.4	Very high	90.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.			trans	-69.6	124.8	-177.4	-164.4	76	0	0	0	110.7	L114 L117 C133 L139 I194 Q196 L197	L114-L136 HydrophobicContact CD2-CD1 4.13Å; L114-L136 HydrophobicContact CG-CD1 3.97Å; L114-L136 WeakPolarHBondContact O-CA 3.41Å; L114-L136 PolarHBondContact O-N 3.25Å; L117-L136 HydrophobicContact CB-CD1 3.7Å; L117-L136 HydrophobicContact CB-CD2 4.4Å; C133-L136 HydrophobicContact CB-CB 3.93Å; C133-L136 HydrophobicContact CB-CD2 4.45Å; C133-L136 PolarHBondContact O-N 3.29Å; C133-L136 VanDerWaalsContact O-N 3.17Å; L136-L139 HydrophobicContact CD2-CB 4.14Å; L136-L139 HydrophobicContact CD2-CD1 4.33Å; L136-L139 HydrophobicContact CD2-CD2 4.22Å; L136-L139 HydrophobicContact CD2-CG 4.48Å; L136-I194 HydrophobicContact CB-CG2 3.76Å; L136-I194 HydrophobicContact CD2-CD1 4.37Å; L136-I194 HydrophobicContact CD2-CG2 4.14Å; L136-I194 HydrophobicContact CG-CG2 4.44Å; L136-Q196 CarbonylContact O-C 3.47Å; L136-L197 HydrophobicContact CD2-CD1 4.38Å; L136-L197 HydrophobicContact CG-CD1 4.37Å; L136-L197 WeakPolarHBondContact O-CA 3.46Å; L136-L197 PolarHBondContact O-N 3.21Å
137	R	97.4	Very high	90.9	Very high	97 Å²	97	33.9 Å²	33.9	37%	0.366	17%	0.17	S	C	.	.			trans	-114.9	-28.1	-177.9	-67.5	175.5	-175.2	172	2	112.6	E115 N135 R198 F199	E115-R137 PolarHBondContact O-N 2.95Å; E115-R137 IonicContact OE1-CZ 3.76Å; E115-R137 IonicContact OE1-NH1 3.3Å; E115-R137 IonicContact OE1-NH2 3.81Å; E115-R137 IonicContact OE2-CZ 2.99Å; E115-R137 IonicContact OE2-NE 3.87Å; E115-R137 IonicContact OE2-NH1 3.27Å; E115-R137 PolarHBondContact OE2-NH1 3.47Å; N135-R137 PolarHBondContact O-N 3.04Å; R137-R198 PolarHBondContact O-N 3.2Å; R137-F199 PolarHBondContact O-N 2.81Å
138	Y	98.5	Very high	90.6	Very high	73 Å²	73	34 Å²	34	29%	0.286	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.7	-179.2	178.4	-78.8	0	0	0	110	E115 K116 L117 D140 F199	E115-Y138 PolarHBondContact O-N 3.45Å; K116-Y138 HydrophobicContact CB-CD1 4.29Å; L117-Y138 PolarHBondContact N-O 3.36Å; Y138-D140 HydrophobicContact CE1-CB 4.05Å; Y138-F199 HydrophobicContact CD2-CB 3.75Å; Y138-F199 AromaticContact CD2-CD1 3.3Å; Y138-F199 HydrophobicContact CD2-CD1 3.3Å; Y138-F199 HydrophobicContact CD2-CD2 4.06Å; Y138-F199 AromaticContact CD2-CE1 3.86Å; Y138-F199 HydrophobicContact CD2-CE1 3.86Å; Y138-F199 AromaticContact CD2-CG 3.43Å; Y138-F199 HydrophobicContact CD2-CG 3.43Å; Y138-F199 VanDerWaalsContact CD2-CG 3.43Å; Y138-F199 HydrophobicContact CD2-CZ 4.44Å; Y138-F199 HydrophobicContact CE1-CD1 4.47Å; Y138-F199 HydrophobicContact CE1-CE1 4.43Å; Y138-F199 HydrophobicContact CE2-CB 4.44Å; Y138-F199 AromaticContact CE2-CD1 3.24Å; Y138-F199 HydrophobicContact CE2-CD1 3.24Å; Y138-F199 AromaticContact CE2-CD2 3.96Å; Y138-F199 HydrophobicContact CE2-CD2 3.96Å; Y138-F199 AromaticContact CE2-CE1 3.25Å; Y138-F199 HydrophobicContact CE2-CE1 3.25Å; Y138-F199 AromaticContact CE2-CE2 3.96Å; Y138-F199 HydrophobicContact CE2-CE2 3.96Å; Y138-F199 AromaticContact CE2-CG 3.63Å; Y138-F199 HydrophobicContact CE2-CG 3.63Å; Y138-F199 AromaticContact CE2-CZ 3.63Å; Y138-F199 HydrophobicContact CE2-CZ 3.63Å; Y138-F199 HydrophobicContact CG-CB 4.38Å; Y138-F199 AromaticContact CG-CD1 3.97Å; Y138-F199 HydrophobicContact CG-CD1 3.97Å; Y138-F199 HydrophobicContact CG-CG 4.33Å; Y138-F199 AromaticContact CZ-CD1 3.87Å; Y138-F199 AromaticContact CZ-CE1 3.58Å
139	L	98.3	Very high	90.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	119.9	176.7	-179.3	54.7	0	0	0	110.5	L117 L130 L136 M141 L191 I194 L197 F199 L200 N201	L117-L139 HydrophobicContact CB-CD1 4.2Å; L117-L139 HydrophobicContact CD2-CD1 3.96Å; L117-L139 HydrophobicContact CG-CD1 4.09Å; L117-L139 WeakPolarHBondContact O-CA 3.33Å; L130-L139 HydrophobicContact CD1-CD2 4Å; L130-L139 HydrophobicContact CD2-CD1 4.49Å; L136-L139 HydrophobicContact CD2-CB 4.14Å; L136-L139 HydrophobicContact CD2-CD1 4.33Å; L136-L139 HydrophobicContact CD2-CD2 4.22Å; L136-L139 HydrophobicContact CD2-CG 4.48Å; L139-M141 HydrophobicContact CD1-CG 3.86Å; L139-M141 HydrophobicContact CD1-SD 4.31Å; L139-M141 HydrophobicContact CD2-CE 3.59Å; L139-M141 HydrophobicContact CD2-CG 4.42Å; L139-M141 HydrophobicContact CD2-SD 4.03Å; L139-M141 HydrophobicContact CG-CE 3.94Å; L139-M141 HydrophobicContact CG-CG 3.93Å; L139-M141 HydrophobicContact CG-SD 4.2Å; L139-L191 HydrophobicContact CD2-CD2 4.08Å; L139-I194 HydrophobicContact CD2-CD1 4.07Å; L139-L197 HydrophobicContact CB-CD1 3.69Å; L139-L197 HydrophobicContact CB-CD2 4.42Å; L139-F199 PolarHBondContact N-O 2.89Å; L139-L200 HydrophobicContact CB-CD1 4.28Å; L139-L200 HydrophobicContact CD2-CD1 4.23Å; L139-L200 HydrophobicContact CG-CD1 4.21Å; L139-L200 WeakPolarHBondContact O-CA 3.29Å; L139-N201 PolarHBondContact O-N 3.1Å
140	D	98.3	Very high	90.1	Very high	15 Å²	15	32.4 Å²	32.4	8%	0.08	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.3	171.3	-162.2	-34.7	0	0	0	110.7	L117 N118 V119 S120 Y138 T142 N201	L117-D140 PolarHBondContact O-N 3.11Å; N118-D140 HydrophobicContact CB-CB 4.48Å; V119-D140 WeakPolarHBondContact CG2-O 3.48Å; V119-D140 PolarHBondContact N-O 3.29Å; S120-D140 PolarHBondContact N-O 3.39Å; Y138-D140 HydrophobicContact CE1-CB 4.05Å; D140-T142 VanDerWaalsContact OD1-CB 3.24Å; D140-T142 WeakPolarHBondContact OD1-CB 3.25Å; D140-T142 PolarHBondContact OD1-N 3.44Å; D140-T142 PolarHBondContact OD1-OG1 3.23Å; D140-N201 HydrophobicContact CB-CB 4.31Å; D140-N201 PolarHBondContact OD1-ND2 3.21Å; D140-N201 PolarHBondContact OD2-ND2 3.12Å
141	M	96.3	Very high	89.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.155	C	C	.	.			trans	-126.8	35.9	177.5	-58	-175.8	-77.3	0	0	110.9	V119 L130 L139 S143 C144 L146 L191 L200 N201 L202 N205	V119-M141 HydrophobicContact CG2-CB 4.22Å; V119-M141 HydrophobicContact CG2-CG 3.54Å; L130-M141 HydrophobicContact CD1-SD 3.94Å; L139-M141 HydrophobicContact CD1-CG 3.86Å; L139-M141 HydrophobicContact CD1-SD 4.31Å; L139-M141 HydrophobicContact CD2-CE 3.59Å; L139-M141 HydrophobicContact CD2-CG 4.42Å; L139-M141 HydrophobicContact CD2-SD 4.03Å; L139-M141 HydrophobicContact CG-CE 3.94Å; L139-M141 HydrophobicContact CG-CG 3.93Å; L139-M141 HydrophobicContact CG-SD 4.2Å; M141-S143 PolarHBondContact O-N 2.85Å; M141-C144 VanDerWaalsContact C-SG 3.56Å; M141-C144 HydrophobicContact CB-CB 4.45Å; M141-L146 HydrophobicContact CB-CD1 3.99Å; M141-L146 HydrophobicContact CE-CD1 4.5Å; M141-L146 HydrophobicContact SD-CD1 4.25Å; M141-L191 HydrophobicContact CE-CD1 4.43Å; M141-L191 HydrophobicContact CE-CD2 3.9Å; M141-L200 HydrophobicContact CE-CD1 3.73Å; M141-N201 CarbonylContact C-O 3.44Å; M141-N201 PolarHBondContact N-O 3.19Å; M141-L202 HydrophobicContact CB-CD2 4.23Å; M141-L202 HydrophobicContact CE-CD2 3.41Å; M141-L202 VanDerWaalsContact CE-CD2 3.41Å; M141-L202 HydrophobicContact CE-CG 4.45Å; M141-N205 PolarHBondContact O-ND2 2.96Å
142	T	97.4	Very high	89.3	Confident	17 Å²	17	29.4 Å²	29.4	10%	0.104	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	134.4	176.9	-60.5	0	0	0	0	111.1	S120 H121 D140 C144 N201 S203	S120-T142 CarbonylContact C-O 3.56Å; S120-T142 VanDerWaalsContact CA-O 3.27Å; S120-T142 WeakPolarHBondContact CA-O 3.47Å; S120-T142 WeakPolarHBondContact CB-O 3.47Å; H121-T142 PolarHBondContact N-O 3.13Å; D140-T142 VanDerWaalsContact OD1-CB 3.24Å; D140-T142 WeakPolarHBondContact OD1-CB 3.25Å; D140-T142 PolarHBondContact OD1-N 3.44Å; D140-T142 PolarHBondContact OD1-OG1 3.23Å; T142-C144 VanDerWaalsContact C-N 3.26Å; T142-C144 PolarHBondContact O-N 2.82Å; T142-N201 PolarHBondContact OG1-ND2 3.06Å; T142-N201 PolarHBondContact OG1-OD1 2.82Å; T142-S203 CarbonylContact C-O 3.56Å; T142-S203 WeakPolarHBondContact CA-O 3.35Å; T142-S203 VanDerWaalsContact CG2-OG 3.24Å; T142-S203 WeakPolarHBondContact CG2-OG 3.46Å; T142-S203 PolarHBondContact OG1-OG 3.05Å
143	S	95.7	Very high	88.7	Confident	29 Å²	29	29.8 Å²	29.8	20%	0.203	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	40.3	176.3	-51.7	0	0	0	0	113.9	M141 H145 S203 S204	M141-S143 PolarHBondContact O-N 2.85Å; S143-H145 VanDerWaalsContact C-N 3.31Å; S143-S203 PolarHBondContact N-O 3.43Å; S143-S204 WeakPolarHBondContact OG-CB 3.34Å
144	C	94.5	Very high	87.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	-90.4	9.4	179.1	-74.9	0	0	0	0	113.8	V119 N122 L124 M141 T142 L146 N205	V119-C144 PolarHBondContact O-SG 2.84Å; N122-C144 CarbonylContact O-C 3.49Å; N122-C144 WeakPolarHBondContact O-CA 3.45Å; N122-C144 WeakPolarHBondContact O-CB 3.38Å; L124-C144 HydrophobicContact CB-CB 4.41Å; L124-C144 HydrophobicContact CD1-CB 4.12Å; L124-C144 HydrophobicContact CG-CB 4.36Å; L124-C144 PolarHBondContact N-O 2.92Å; M141-C144 VanDerWaalsContact C-SG 3.56Å; M141-C144 HydrophobicContact CB-CB 4.45Å; T142-C144 VanDerWaalsContact C-N 3.26Å; T142-C144 PolarHBondContact O-N 2.82Å; C144-L146 HydrophobicContact CB-CD1 4.36Å; C144-L146 HydrophobicContact CB-CD2 3.94Å; C144-L146 HydrophobicContact CB-CG 3.78Å; C144-L146 PolarHBondContact O-N 3.41Å; C144-N205 PolarHBondContact N-OD1 2.63Å
145	H	88	Confident	86.3	Confident	139 Å²	139	30.8 Å²	30.8	64%	0.644	15%	0.154	S	C	*	.			trans	54.7	33.1	-173.5	-60.7	-71.8	0	0	0	113.5	S143 N205	S143-H145 VanDerWaalsContact C-N 3.31Å; H145-N205 PolarHBondContact N-OD1 2.81Å; H145-N205 VanDerWaalsContact N-OD1 3.09Å
146	L	88.8	Confident	84.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.			trans	-66.1	138.9	-176.5	-60.5	178.3	0	0	0	111.4	L124 I127 M141 C144 L150 L202 N205 L208	L124-L146 HydrophobicContact CB-CD2 4.2Å; I127-L146 HydrophobicContact CG2-CD2 3.93Å; M141-L146 HydrophobicContact CB-CD1 3.99Å; M141-L146 HydrophobicContact CE-CD1 4.5Å; M141-L146 HydrophobicContact SD-CD1 4.25Å; C144-L146 HydrophobicContact CB-CD1 4.36Å; C144-L146 HydrophobicContact CB-CD2 3.94Å; C144-L146 HydrophobicContact CB-CG 3.78Å; C144-L146 PolarHBondContact O-N 3.41Å; L146-L150 HydrophobicContact CD2-CD1 4.21Å; L146-L202 HydrophobicContact CD1-CD2 3.64Å; L146-N205 HydrophobicContact CB-CB 4.17Å; L146-N205 PolarHBondContact N-OD1 3.48Å; L146-L208 HydrophobicContact CB-CD1 4.36Å; L146-L208 HydrophobicContact CB-CD2 4.06Å; L146-L208 HydrophobicContact CB-CG 4.37Å
147	N	83.7	Confident	82.7	Confident	30 Å²	30	38.8 Å²	38.8	16%	0.16	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-105.4	151.8	172	-64.9	-55.2	0	0	0	111.1	Y149 L150 K207	N147-Y149 HydrophobicContact CB-CD1 3.45Å; N147-Y149 VanDerWaalsContact CB-CD1 3.45Å; N147-Y149 HydrophobicContact CB-CE1 3.11Å; N147-Y149 HydrophobicContact CB-CE2 4.44Å; N147-Y149 HydrophobicContact CB-CG 4.25Å; N147-Y149 VanDerWaalsContact CG-CE1 3.5Å; N147-Y149 WeakPolarHBondContact ND2-CE1 3.03Å; N147-Y149 PolarHBondContact ND2-OH 2.97Å; N147-Y149 PolarHBondContact O-N 2.91Å; N147-Y149 VanDerWaalsContact O-N 3.11Å; N147-L150 HydrophobicContact CB-CD1 4.47Å; N147-L150 HydrophobicContact CB-CG 4.4Å; N147-L150 WeakPolarHBondContact O-CB 3.45Å; N147-L150 PolarHBondContact O-N 2.94Å; N147-K207 WeakPolarHBondContact OD1-CB 3.33Å; N147-K207 WeakPolarHBondContact OD1-CD 3.4Å
148	S	80.1	Confident	80.5	Confident	4 Å²	4	36.4 Å²	36.4	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-49.8	-41.2	-178.8	-72.3	0	0	0	0	114.4	L150 L151 K207 V211	S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 2.78Å; S148-L151 PolarHBondContact O-N 2.83Å; S148-K207 WeakPolarHBondContact CB-O 3.21Å; S148-K207 PolarHBondContact N-O 3.27Å; S148-K207 PolarHBondContact OG-O 2.99Å; S148-V211 WeakPolarHBondContact O-CG2 3.35Å; S148-V211 VanDerWaalsContact OG-CG2 3.23Å; S148-V211 WeakPolarHBondContact OG-CG2 3.23Å
149	Y	75.6	Confident	78.3	Confident	25 Å²	25	34.4 Å²	34.4	10%	0.098	18%	0.177	C	C	.	.	H	α-helix	trans	-66.3	-27.4	-177.9	65.2	-101.8	0	0	0	113.8	N147 I152 G153 L154 I159 L167	N147-Y149 HydrophobicContact CB-CD1 3.45Å; N147-Y149 VanDerWaalsContact CB-CD1 3.45Å; N147-Y149 HydrophobicContact CB-CE1 3.11Å; N147-Y149 HydrophobicContact CB-CE2 4.44Å; N147-Y149 HydrophobicContact CB-CG 4.25Å; N147-Y149 VanDerWaalsContact CG-CE1 3.5Å; N147-Y149 WeakPolarHBondContact ND2-CE1 3.03Å; N147-Y149 PolarHBondContact ND2-OH 2.97Å; N147-Y149 PolarHBondContact O-N 2.91Å; N147-Y149 VanDerWaalsContact O-N 3.11Å; Y149-I152 PolarHBondContact O-N 3.39Å; Y149-G153 PolarHBondContact O-N 2.75Å; Y149-G153 VanDerWaalsContact O-N 3.12Å; Y149-L154 WeakPolarHBondContact CD2-O 3.36Å; Y149-L154 PolarHBondContact O-N 2.69Å; Y149-I159 HydrophobicContact CD1-CD1 3.49Å; Y149-I159 VanDerWaalsContact CD1-CD1 3.49Å; Y149-I159 HydrophobicContact CD2-CD1 4Å; Y149-I159 HydrophobicContact CE1-CD1 3.74Å; Y149-I159 HydrophobicContact CE2-CD1 4.23Å; Y149-I159 HydrophobicContact CG-CD1 3.65Å; Y149-L167 HydrophobicContact CD1-CD1 3.96Å
150	L	79	Confident	75.9	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.042	21%	0.214	C	C	.	.	H	α-helix	trans	-67.3	-37.8	180	-65.1	177.5	0	0	0	111.8	G125 I127 L146 N147 S148 I152 G153 T190	G125-L150 WeakPolarHBondContact O-CD2 3.4Å; I127-L150 HydrophobicContact CD1-CB 4.4Å; I127-L150 HydrophobicContact CG1-CB 4.25Å; L146-L150 HydrophobicContact CD2-CD1 4.21Å; N147-L150 HydrophobicContact CB-CD1 4.47Å; N147-L150 HydrophobicContact CB-CG 4.4Å; N147-L150 WeakPolarHBondContact O-CB 3.45Å; N147-L150 PolarHBondContact O-N 2.94Å; S148-L150 VanDerWaalsContact C-N 3.3Å; S148-L150 PolarHBondContact O-N 2.78Å; L150-I152 PolarHBondContact O-N 2.8Å; L150-G153 PolarHBondContact O-N 3.16Å; L150-T190 PolarHBondContact O-OG1 3.35Å
151	L	81.4	Confident	73.1	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-68.9	-26.1	177.4	-66.4	-173.8	0	0	0	112.4	I127 S148 P189 T190 L191 L202 L208 V211 F212	I127-L151 HydrophobicContact CD1-CD2 3.74Å; S148-L151 PolarHBondContact O-N 2.83Å; L151-P189 CarbonylContact O-C 3.51Å; L151-P189 VanDerWaalsContact O-CA 3.25Å; L151-P189 WeakPolarHBondContact O-CA 3.19Å; L151-T190 PolarHBondContact O-N 3.12Å; L151-T190 VanDerWaalsContact O-N 3.16Å; L151-L191 HydrophobicContact CD2-CD1 3.63Å; L151-L191 HydrophobicContact CD2-CG 3.98Å; L151-L202 HydrophobicContact CD1-CD1 4.29Å; L151-L208 HydrophobicContact CD1-CD1 4.04Å; L151-L208 HydrophobicContact CD1-CD2 3.64Å; L151-L208 HydrophobicContact CD1-CG 4.42Å; L151-L208 HydrophobicContact CG-CD2 4.06Å; L151-V211 HydrophobicContact CB-CG1 4.18Å; L151-V211 HydrophobicContact CD1-CG1 4.15Å; L151-V211 HydrophobicContact CD1-CG2 4.43Å; L151-F212 HydrophobicContact CD1-CZ 4.44Å
152	I	74.7	Confident	70.5	Confident	2 Å²	2	51 Å²	51	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-86.2	-13.6	177.5	-64.2	168.1	0	0	0	111.5	Y149 L150 L154 L174 T178 F184 Y188 P189 I214 I258	Y149-I152 PolarHBondContact O-N 3.39Å; L150-I152 PolarHBondContact O-N 2.8Å; I152-L154 HydrophobicContact CG2-CD1 4.32Å; I152-L154 HydrophobicContact CG2-CG 4.06Å; I152-L174 HydrophobicContact CD1-CD2 2.99Å; I152-L174 HydrophobicContact CD1-CG 4.49Å; I152-L174 HydrophobicContact CG1-CD2 4.48Å; I152-T178 HydrophobicContact CD1-CG2 4.47Å; I152-T178 HydrophobicContact CG2-CG2 4.15Å; I152-F184 HydrophobicContact CG2-CE1 3.91Å; I152-F184 HydrophobicContact CG2-CZ 4.44Å; I152-Y188 CarbonylContact O-C 3.31Å; I152-Y188 VanDerWaalsContact O-C 3.29Å; I152-P189 WeakPolarHBondContact O-CA 3.32Å; I152-I214 HydrophobicContact CD1-CD1 3.47Å; I152-I214 VanDerWaalsContact CD1-CD1 3.47Å; I152-I214 HydrophobicContact CG1-CD1 4.42Å; I152-I258 HydrophobicContact CD1-CD1 4.14Å; I152-I258 HydrophobicContact CG1-CD1 3.75Å
153	G	70	Confident	67.6	Low	22 Å²	22	55 Å²	55	23%	0.227	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.6	13.2	-179.9	0	0	0	0	0	114.2	Y149 L150 N187	Y149-G153 PolarHBondContact O-N 2.75Å; Y149-G153 VanDerWaalsContact O-N 3.12Å; L150-G153 PolarHBondContact O-N 3.16Å; G153-N187 WeakPolarHBondContact O-CB 3.4Å
154	L	66.9	Low	65.1	Low	15 Å²	15	54.4 Å²	54.4	8%	0.079	30%	0.299	C	S	.	.			trans	-79	145.1	174.6	-61.3	177.6	0	0	0	110.5	Y149 I152 E158 Y177 N187	Y149-L154 WeakPolarHBondContact CD2-O 3.36Å; Y149-L154 PolarHBondContact O-N 2.69Å; I152-L154 HydrophobicContact CG2-CD1 4.32Å; I152-L154 HydrophobicContact CG2-CG 4.06Å; L154-E158 WeakPolarHBondContact CD2-OE2 3.33Å; L154-Y177 HydrophobicContact CD1-CD1 4.43Å; L154-Y177 HydrophobicContact CD1-CE1 4.24Å; L154-N187 HydrophobicContact CD2-CB 4.21Å
155	N	59.4	Low	62.6	Low	98 Å²	98	62.2 Å²	62.2	52%	0.524	34%	0.341	S	S	.	.			trans	-91.4	152.4	176.7	-165.1	-14.9	0	0	0	111.4	N157 E158	N155-N157 VanDerWaalsContact C-N 3.26Å; N155-N157 PolarHBondContact O-N 3.46Å; N155-E158 HydrophobicContact CB-CG 4.36Å; N155-E158 PolarHBondContact N-OE2 2.78Å; N155-E158 WeakPolarHBondContact O-CB 3.39Å; N155-E158 PolarHBondContact O-N 2.86Å
156	K	58.7	Low	60.2	Low	136 Å²	136	57.3 Å²	57.3	59%	0.591	32%	0.321	S	S	*	.	H	α-helix	trans	-53.6	-38.9	178.7	-168.1	179.6	180	-176.4	0	113	E158 I159	K156-E158 VanDerWaalsContact C-N 3.3Å; K156-E158 PolarHBondContact O-N 3.08Å; K156-I159 WeakPolarHBondContact O-CB 3.28Å; K156-I159 PolarHBondContact O-N 2.86Å
157	N	54.1	Low	58.1	Low	104 Å²	104	58.7 Å²	58.7	56%	0.556	33%	0.328	S	S	*	.	H	α-helix	trans	-69.1	-27.9	-179.7	-65.9	-6.5	0	0	0	112.9	N155 I159 Q160	N155-N157 VanDerWaalsContact C-N 3.26Å; N155-N157 PolarHBondContact O-N 3.46Å; N157-I159 PolarHBondContact O-N 2.9Å; N157-Q160 PolarHBondContact O-N 2.87Å
158	E	51.4	Low	56.4	Low	46 Å²	46	65.1 Å²	65.1	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-69.3	-16.6	178.2	-66	-180	156.1	0	0	112.5	L154 N155 K156 N187	L154-E158 WeakPolarHBondContact CD2-OE2 3.33Å; N155-E158 HydrophobicContact CB-CG 4.36Å; N155-E158 PolarHBondContact N-OE2 2.78Å; N155-E158 WeakPolarHBondContact O-CB 3.39Å; N155-E158 PolarHBondContact O-N 2.86Å; K156-E158 VanDerWaalsContact C-N 3.3Å; K156-E158 PolarHBondContact O-N 3.08Å; E158-N187 VanDerWaalsContact CD-ND2 3.34Å; E158-N187 PolarHBondContact OE1-ND2 3.42Å; E158-N187 PolarHBondContact OE2-ND2 2.72Å
159	I	52.7	Low	54.7	Low	31 Å²	31	66.2 Å²	66.2	16%	0.159	37%	0.369	C	S	.	.	H	α-helix	trans	-83.4	-38.7	177.9	-54.4	173.2	0	0	0	110.7	Y149 K156 N157 L161 I164 L167	Y149-I159 HydrophobicContact CD1-CD1 3.49Å; Y149-I159 VanDerWaalsContact CD1-CD1 3.49Å; Y149-I159 HydrophobicContact CD2-CD1 4Å; Y149-I159 HydrophobicContact CE1-CD1 3.74Å; Y149-I159 HydrophobicContact CE2-CD1 4.23Å; Y149-I159 HydrophobicContact CG-CD1 3.65Å; K156-I159 WeakPolarHBondContact O-CB 3.28Å; K156-I159 PolarHBondContact O-N 2.86Å; N157-I159 PolarHBondContact O-N 2.9Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.37Å; I159-I164 HydrophobicContact CG2-CB 3.75Å; I159-I164 HydrophobicContact CG2-CG2 3.93Å; I159-I164 WeakPolarHBondContact CG2-O 3.38Å; I159-L167 HydrophobicContact CD1-CD1 4.19Å
160	Q	47.6	Very low	53.2	Low	164 Å²	164	70 Å²	70	77%	0.766	40%	0.399	S	S	*	.	H	α-helix	trans	-74.6	-22.4	-171.5	-138.4	166.4	5.6	0	0	113.2	N157 G162	N157-Q160 PolarHBondContact O-N 2.87Å; Q160-G162 PolarHBondContact O-N 2.77Å
161	L	39.7	Very low	51.6	Low	160 Å²	160	72.2 Å²	72.2	84%	0.838	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	3.3	-171.6	-90.4	158.6	0	0	0	115.9	I159	I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.37Å
162	G	42.1	Very low	49.9	Very low	40 Å²	40	76.2 Å²	76.2	41%	0.412	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	160.3	126.1	171.9	0	0	0	0	0	113.1	Q160 I164	Q160-G162 PolarHBondContact O-N 2.77Å; G162-I164 PolarHBondContact O-N 3.26Å
163	A	36.2	Very low	48.5	Very low	101 Å²	101	78.9 Å²	78.9	84%	0.835	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	3.1	163	0	0	0	0	0	118.9	N165 P166	A163-N165 PolarHBondContact O-N 3.35Å; A163-P166 WeakPolarHBondContact O-CG 3.14Å
164	I	41.8	Very low	47.5	Very low	17 Å²	17	78 Å²	78	9%	0.087	44%	0.437	C	S	.	.			trans	-97.8	68.8	177.8	-42.4	176.5	0	0	0	113.1	I159 G162 P166 L167 Y177	I159-I164 HydrophobicContact CG2-CB 3.75Å; I159-I164 HydrophobicContact CG2-CG2 3.93Å; I159-I164 WeakPolarHBondContact CG2-O 3.38Å; G162-I164 PolarHBondContact O-N 3.26Å; I164-P166 HydrophobicContact CG2-CG 4.4Å; I164-L167 HydrophobicContact CG2-CD1 4.1Å; I164-L167 HydrophobicContact CG2-CD2 3.76Å; I164-L167 HydrophobicContact CG2-CG 3.6Å; I164-Y177 HydrophobicContact CD1-CD1 4.03Å; I164-Y177 HydrophobicContact CD1-CD2 3.87Å; I164-Y177 HydrophobicContact CD1-CE1 3.54Å; I164-Y177 HydrophobicContact CD1-CE2 3.35Å; I164-Y177 HydrophobicContact CD1-CG 4.16Å; I164-Y177 WeakPolarHBondContact CD1-OH 3.41Å; I164-Y177 HydrophobicContact CG1-CD2 3.95Å; I164-Y177 HydrophobicContact CG1-CE2 3.59Å
165	N	42.1	Very low	46.7	Very low	164 Å²	164	77.9 Å²	77.9	88%	0.877	44%	0.437	S	S	*	.			trans	-91	10.8	152.3	-106.4	4.7	0	0	0	116.1	A163	A163-N165 PolarHBondContact O-N 3.35Å
166	P	38.2	Very low	46	Very low	36 Å²	36	76.5 Å²	76.5	23%	0.234	43%	0.429	C	S	.	.			trans	-117.2	10.3	-159	17.7	14.8	0	0	0	110.2	A163 I164 E168 G169 N173	A163-P166 WeakPolarHBondContact O-CG 3.14Å; I164-P166 HydrophobicContact CG2-CG 4.4Å; P166-E168 PolarHBondContact O-N 2.95Å; P166-G169 PolarHBondContact O-N 3.2Å; P166-N173 HydrophobicContact CB-CB 3.6Å; P166-N173 VanDerWaalsContact CB-ND2 3.26Å; P166-N173 WeakPolarHBondContact CB-ND2 3.42Å; P166-N173 HydrophobicContact CG-CB 4.31Å; P166-N173 VanDerWaalsContact O-CB 3.32Å; P166-N173 WeakPolarHBondContact O-CB 3.34Å; P166-N173 PolarHBondContact O-ND2 3.26Å
167	L	45.1	Very low	45.5	Very low	28 Å²	28	71.5 Å²	71.5	15%	0.147	41%	0.407	C	S	.	.	S	Bend	trans	-67.7	-26.7	170.4	-51.4	177.5	0	0	0	110.4	Y149 I159 I164 L174 N210	Y149-L167 HydrophobicContact CD1-CD1 3.96Å; I159-L167 HydrophobicContact CD1-CD1 4.19Å; I164-L167 HydrophobicContact CG2-CD1 4.1Å; I164-L167 HydrophobicContact CG2-CD2 3.76Å; I164-L167 HydrophobicContact CG2-CG 3.6Å; L167-L174 HydrophobicContact CB-CD1 3.86Å; L167-L174 HydrophobicContact CD2-CB 4.35Å; L167-L174 HydrophobicContact CD2-CD1 3.16Å; L167-L174 HydrophobicContact CD2-CD2 4.23Å; L167-L174 HydrophobicContact CD2-CG 3.29Å; L167-L174 HydrophobicContact CG-CD1 3.99Å; L167-N210 PolarHBondContact O-ND2 3.46Å
168	E	47.5	Very low	45.3	Very low	166 Å²	166	66.9 Å²	66.9	78%	0.776	38%	0.383	S	S	*	.	S	Bend	trans	-88.6	-12.9	173.3	-68.4	-173.1	167.9	0	0	112.8	P166	P166-E168 PolarHBondContact O-N 2.95Å
169	G	43.9	Very low	45.3	Very low	27 Å²	27	70 Å²	70	28%	0.278	40%	0.396	S	S	.	.	S	Bend	trans	-98.2	123.7	179.4	0	0	0	0	0	112.5	P166 N173	P166-G169 PolarHBondContact O-N 3.2Å; G169-N173 PolarHBondContact O-ND2 3.19Å
170	S	45.1	Very low	45.1	Very low	103 Å²	103	75.8 Å²	75.8	72%	0.72	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.1	88.9	154.5	-174.2	0	0	0	0	116.9	N172	S170-N172 VanDerWaalsContact C-N 3.28Å; S170-N172 PolarHBondContact O-N 2.61Å
171	N	45.9	Very low	45.1	Very low	56 Å²	56	70.2 Å²	70.2	30%	0.299	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	39.8	-7.9	150.8	-74.3	2.6	0	0	0	124.1	N210 N213 S274 F275	N171-N210 PolarHBondContact OD1-OD1 3.27Å; N171-N213 PolarHBondContact O-ND2 2.94Å; N171-S274 PolarHBondContact OD1-OG 3.14Å; N171-F275 WeakPolarHBondContact ND2-CD2 3.3Å; N171-F275 VanDerWaalsContact ND2-CE2 3.32Å; N171-F275 WeakPolarHBondContact ND2-CE2 3.2Å
172	N	44.6	Very low	45.4	Very low	84 Å²	84	65.7 Å²	65.7	45%	0.449	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.6	-3	-176.7	-99.9	-19.5	0	0	0	115.6	S170 L174 S175 I176	S170-N172 VanDerWaalsContact C-N 3.28Å; S170-N172 PolarHBondContact O-N 2.61Å; N172-L174 PolarHBondContact O-N 3Å; N172-S175 WeakPolarHBondContact CA-OG 3.24Å; N172-S175 PolarHBondContact O-N 3.28Å; N172-S175 PolarHBondContact O-OG 2.89Å; N172-S175 PolarHBondContact OD1-OG 2.88Å; N172-I176 HydrophobicContact CB-CD1 4.18Å; N172-I176 WeakPolarHBondContact O-CB 3.26Å; N172-I176 WeakPolarHBondContact O-CD1 3.37Å; N172-I176 VanDerWaalsContact O-CG1 3.23Å; N172-I176 WeakPolarHBondContact O-CG1 3.47Å; N172-I176 PolarHBondContact O-N 2.99Å
173	N	46.2	Very low	45.7	Very low	58 Å²	58	67.9 Å²	67.9	31%	0.31	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-28.8	-179.7	-67.4	-41.7	0	0	0	113.1	P166 G169 Y177	P166-N173 HydrophobicContact CB-CB 3.6Å; P166-N173 VanDerWaalsContact CB-ND2 3.26Å; P166-N173 WeakPolarHBondContact CB-ND2 3.42Å; P166-N173 HydrophobicContact CG-CB 4.31Å; P166-N173 VanDerWaalsContact O-CB 3.32Å; P166-N173 WeakPolarHBondContact O-CB 3.34Å; P166-N173 PolarHBondContact O-ND2 3.26Å; G169-N173 PolarHBondContact O-ND2 3.19Å; N173-Y177 WeakPolarHBondContact O-CB 3.46Å; N173-Y177 PolarHBondContact O-N 2.99Å
174	L	47.9	Very low	46.2	Very low	4 Å²	4	63.8 Å²	63.8	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-68.4	-46.3	175.1	-120.4	131.3	0	0	0	112.1	I152 L167 N172 Y177 T178 N210 I214	I152-L174 HydrophobicContact CD1-CD2 2.99Å; I152-L174 HydrophobicContact CD1-CG 4.49Å; I152-L174 HydrophobicContact CG1-CD2 4.48Å; L167-L174 HydrophobicContact CB-CD1 3.86Å; L167-L174 HydrophobicContact CD2-CB 4.35Å; L167-L174 HydrophobicContact CD2-CD1 3.16Å; L167-L174 HydrophobicContact CD2-CD2 4.23Å; L167-L174 HydrophobicContact CD2-CG 3.29Å; L167-L174 HydrophobicContact CG-CD1 3.99Å; N172-L174 PolarHBondContact O-N 3Å; L174-Y177 PolarHBondContact O-N 2.75Å; L174-T178 WeakPolarHBondContact O-CG2 3.38Å; L174-T178 PolarHBondContact O-N 3.23Å; L174-T178 PolarHBondContact O-OG1 3.26Å; L174-T178 VanDerWaalsContact O-OG1 3.07Å; L174-N210 HydrophobicContact CD1-CB 4.19Å; L174-I214 HydrophobicContact CB-CD1 4.18Å; L174-I214 HydrophobicContact CD2-CD1 3.66Å
175	S	49.9	Very low	46.4	Very low	13 Å²	13	65.9 Å²	65.9	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-67.1	-40.3	178.1	58.3	0	0	0	0	111	N172 T178 K179	N172-S175 WeakPolarHBondContact CA-OG 3.24Å; N172-S175 PolarHBondContact O-N 3.28Å; N172-S175 PolarHBondContact O-OG 2.89Å; N172-S175 PolarHBondContact OD1-OG 2.88Å; S175-T178 PolarHBondContact O-OG1 2.75Å; S175-K179 WeakPolarHBondContact O-CB 3.42Å; S175-K179 WeakPolarHBondContact O-CG 3.21Å; S175-K179 PolarHBondContact O-N 3.27Å; S175-K179 VanDerWaalsContact O-N 3.14Å
176	I	46.5	Very low	46.7	Very low	68 Å²	68	65.8 Å²	65.8	35%	0.349	34%	0.337	S	S	.	.	H	α-helix	trans	-59.9	-51.7	171.6	-68	161.5	0	0	0	109.9	N172 T178 K179 E180	N172-I176 HydrophobicContact CB-CD1 4.18Å; N172-I176 WeakPolarHBondContact O-CB 3.26Å; N172-I176 WeakPolarHBondContact O-CD1 3.37Å; N172-I176 VanDerWaalsContact O-CG1 3.23Å; N172-I176 WeakPolarHBondContact O-CG1 3.47Å; N172-I176 PolarHBondContact O-N 2.99Å; I176-T178 PolarHBondContact O-N 2.79Å; I176-K179 PolarHBondContact O-N 3.25Å; I176-K179 VanDerWaalsContact O-N 3.13Å; I176-E180 HydrophobicContact CG2-CG 3.86Å; I176-E180 WeakPolarHBondContact CG2-OE1 3.48Å; I176-E180 WeakPolarHBondContact O-CB 3.5Å; I176-E180 WeakPolarHBondContact O-CG 3.26Å; I176-E180 PolarHBondContact O-N 3.45Å
177	Y	47.3	Very low	47.5	Very low	31 Å²	31	65.5 Å²	65.5	12%	0.122	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-45	-177.6	-176.2	-96.6	0	0	0	113	L154 I164 N173 L174 K179 T181 R183	L154-Y177 HydrophobicContact CD1-CD1 4.43Å; L154-Y177 HydrophobicContact CD1-CE1 4.24Å; I164-Y177 HydrophobicContact CD1-CD1 4.03Å; I164-Y177 HydrophobicContact CD1-CD2 3.87Å; I164-Y177 HydrophobicContact CD1-CE1 3.54Å; I164-Y177 HydrophobicContact CD1-CE2 3.35Å; I164-Y177 HydrophobicContact CD1-CG 4.16Å; I164-Y177 WeakPolarHBondContact CD1-OH 3.41Å; I164-Y177 HydrophobicContact CG1-CD2 3.95Å; I164-Y177 HydrophobicContact CG1-CE2 3.59Å; N173-Y177 WeakPolarHBondContact O-CB 3.46Å; N173-Y177 PolarHBondContact O-N 2.99Å; L174-Y177 PolarHBondContact O-N 2.75Å; Y177-K179 PolarHBondContact O-N 2.96Å; Y177-T181 HydrophobicContact CD2-CG2 3.92Å; Y177-T181 HydrophobicContact CE1-CG2 4.2Å; Y177-T181 HydrophobicContact CE2-CG2 3.54Å; Y177-T181 HydrophobicContact CG-CG2 4.41Å; Y177-T181 WeakPolarHBondContact O-CB 3.17Å; Y177-T181 PolarHBondContact O-N 3.36Å; Y177-T181 PolarHBondContact O-OG1 2.7Å; Y177-R183 PolarHBondContact OH-NE 3.33Å; Y177-R183 PolarHBondContact OH-NH1 2.94Å; Y177-R183 PolarHBondContact OH-NH2 2.85Å
178	T	50.9	Low	48.6	Very low	8 Å²	8	66.2 Å²	66.2	5%	0.049	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-33.1	178.1	54.3	0	0	0	0	112.1	I152 L174 S175 I176 F184	I152-T178 HydrophobicContact CD1-CG2 4.47Å; I152-T178 HydrophobicContact CG2-CG2 4.15Å; L174-T178 WeakPolarHBondContact O-CG2 3.38Å; L174-T178 PolarHBondContact O-N 3.23Å; L174-T178 PolarHBondContact O-OG1 3.26Å; L174-T178 VanDerWaalsContact O-OG1 3.07Å; S175-T178 PolarHBondContact O-OG1 2.75Å; I176-T178 PolarHBondContact O-N 2.79Å; T178-F184 VanDerWaalsContact CB-CE2 3.49Å; T178-F184 HydrophobicContact CG2-CE2 4.14Å; T178-F184 HydrophobicContact CG2-CZ 3.88Å
179	K	51.3	Low	50	Low	112 Å²	112	58.3 Å²	58.3	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-75.6	-53.5	176.4	-75.3	176.3	178.6	-174.8	0	112	S175 I176 Y177 T181 N182	S175-K179 WeakPolarHBondContact O-CB 3.42Å; S175-K179 WeakPolarHBondContact O-CG 3.21Å; S175-K179 PolarHBondContact O-N 3.27Å; S175-K179 VanDerWaalsContact O-N 3.14Å; I176-K179 PolarHBondContact O-N 3.25Å; I176-K179 VanDerWaalsContact O-N 3.13Å; Y177-K179 PolarHBondContact O-N 2.96Å; K179-T181 VanDerWaalsContact C-N 3.3Å; K179-T181 PolarHBondContact O-N 2.92Å; K179-N182 PolarHBondContact O-N 2.99Å
180	E	48.1	Very low	51.7	Low	151 Å²	151	57.3 Å²	57.3	71%	0.706	29%	0.286	S	S	*	.	H	α-helix	trans	-61.1	-38	-177.2	-75.7	-177.6	170.8	0	0	112.4	I176	I176-E180 HydrophobicContact CG2-CG 3.86Å; I176-E180 WeakPolarHBondContact CG2-OE1 3.48Å; I176-E180 WeakPolarHBondContact O-CB 3.5Å; I176-E180 WeakPolarHBondContact O-CG 3.26Å; I176-E180 PolarHBondContact O-N 3.45Å
181	T	47	Very low	53.7	Low	47 Å²	47	52.4 Å²	52.4	29%	0.288	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.1	-176.7	63.2	0	0	0	0	113.9	Y177 K179 R183	Y177-T181 HydrophobicContact CD2-CG2 3.92Å; Y177-T181 HydrophobicContact CE1-CG2 4.2Å; Y177-T181 HydrophobicContact CE2-CG2 3.54Å; Y177-T181 HydrophobicContact CG-CG2 4.41Å; Y177-T181 WeakPolarHBondContact O-CB 3.17Å; Y177-T181 PolarHBondContact O-N 3.36Å; Y177-T181 PolarHBondContact O-OG1 2.7Å; K179-T181 VanDerWaalsContact C-N 3.3Å; K179-T181 PolarHBondContact O-N 2.92Å; T181-R183 PolarHBondContact O-N 2.65Å; T181-R183 WeakPolarHBondContact OG1-CB 3.12Å; T181-R183 WeakPolarHBondContact OG1-CD 3.41Å; T181-R183 VanDerWaalsContact OG1-CG 3.32Å; T181-R183 WeakPolarHBondContact OG1-CG 3.34Å
182	N	46.6	Very low	55.5	Low	65 Å²	65	50 Å²	50	35%	0.348	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	26.8	-173.4	-86.9	-26.2	0	0	0	112.7	K179 F184 I185 L244	K179-N182 PolarHBondContact O-N 2.99Å; N182-F184 VanDerWaalsContact C-N 3.29Å; N182-F184 PolarHBondContact O-N 3.22Å; N182-I185 HydrophobicContact CB-CD1 3.86Å; N182-I185 VanDerWaalsContact O-CB 3.31Å; N182-I185 WeakPolarHBondContact O-CB 3.48Å; N182-I185 WeakPolarHBondContact O-CD1 3.43Å; N182-I185 WeakPolarHBondContact O-CG1 3.21Å; N182-I185 PolarHBondContact O-N 3.5Å; N182-I185 VanDerWaalsContact O-N 3.13Å; N182-L244 VanDerWaalsContact OD1-CD2 3.27Å; N182-L244 WeakPolarHBondContact OD1-CD2 3.14Å
183	R	47.6	Very low	57.2	Low	86 Å²	86	46.1 Å²	46.1	33%	0.325	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-77	-9.9	-164.8	-90.5	-178.1	-172.4	-167.4	10.9	115.1	Y177 T181 I185 K186 N187	Y177-R183 PolarHBondContact OH-NE 3.33Å; Y177-R183 PolarHBondContact OH-NH1 2.94Å; Y177-R183 PolarHBondContact OH-NH2 2.85Å; T181-R183 PolarHBondContact O-N 2.65Å; T181-R183 WeakPolarHBondContact OG1-CB 3.12Å; T181-R183 WeakPolarHBondContact OG1-CD 3.41Å; T181-R183 VanDerWaalsContact OG1-CG 3.32Å; T181-R183 WeakPolarHBondContact OG1-CG 3.34Å; R183-I185 PolarHBondContact O-N 2.74Å; R183-K186 PolarHBondContact O-N 2.92Å; R183-N187 PolarHBondContact O-N 2.87Å
184	F	47	Very low	59.2	Low	15 Å²	15	43.3 Å²	43.3	7%	0.066	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-54.5	-23.2	165.9	-69.7	-63.4	0	0	0	111.7	I152 T178 N182 K186 N187 P189 L216 W223 I224	I152-F184 HydrophobicContact CG2-CE1 3.91Å; I152-F184 HydrophobicContact CG2-CZ 4.44Å; T178-F184 VanDerWaalsContact CB-CE2 3.49Å; T178-F184 HydrophobicContact CG2-CE2 4.14Å; T178-F184 HydrophobicContact CG2-CZ 3.88Å; N182-F184 VanDerWaalsContact C-N 3.29Å; N182-F184 PolarHBondContact O-N 3.22Å; F184-K186 PolarHBondContact O-N 2.88Å; F184-N187 WeakPolarHBondContact CA-O 3.39Å; F184-P189 HydrophobicContact CD1-CG 4.2Å; F184-P189 HydrophobicContact CE1-CG 3.79Å; F184-L216 HydrophobicContact CD2-CD2 4.39Å; F184-L216 HydrophobicContact CE1-CD2 4.37Å; F184-L216 HydrophobicContact CE2-CD2 3.61Å; F184-L216 HydrophobicContact CZ-CD2 3.62Å; F184-W223 HydrophobicContact CB-CZ3 4.3Å; F184-W223 WeakPolarHBondContact O-CH2 3.13Å; F184-W223 WeakPolarHBondContact O-CZ3 3.41Å; F184-I224 HydrophobicContact CD1-CD1 4.12Å; F184-I224 HydrophobicContact CG-CD1 4.33Å
185	I	45.3	Very low	61	Low	61 Å²	61	43.7 Å²	43.7	31%	0.313	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-56.9	-30.8	174.3	-62	170.9	0	0	0	113.2	N182 R183 W223 N241	N182-I185 HydrophobicContact CB-CD1 3.86Å; N182-I185 VanDerWaalsContact O-CB 3.31Å; N182-I185 WeakPolarHBondContact O-CB 3.48Å; N182-I185 WeakPolarHBondContact O-CD1 3.43Å; N182-I185 WeakPolarHBondContact O-CG1 3.21Å; N182-I185 PolarHBondContact O-N 3.5Å; N182-I185 VanDerWaalsContact O-N 3.13Å; R183-I185 PolarHBondContact O-N 2.74Å; I185-W223 HydrophobicContact CB-CH2 4.39Å; I185-W223 HydrophobicContact CB-CZ2 4.27Å; I185-W223 HydrophobicContact CG1-CZ2 4.16Å; I185-W223 HydrophobicContact CG2-CZ2 4.35Å; I185-N241 WeakPolarHBondContact CD1-OD1 3.46Å
186	K	48.5	Very low	62.9	Low	162 Å²	162	46.3 Å²	46.3	70%	0.704	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-34.7	-176.4	-158.4	178.3	-177.8	-174	0	113.5	R183 F184	R183-K186 PolarHBondContact O-N 2.92Å; F184-K186 PolarHBondContact O-N 2.88Å
187	N	55.8	Low	65.2	Low	31 Å²	31	43.1 Å²	43.1	17%	0.166	20%	0.201	C	C	.	.			trans	-124.7	132.3	-175.3	-65.3	-22.8	0	0	0	110.2	G153 L154 E158 R183 F184	G153-N187 WeakPolarHBondContact O-CB 3.4Å; L154-N187 HydrophobicContact CD2-CB 4.21Å; E158-N187 VanDerWaalsContact CD-ND2 3.34Å; E158-N187 PolarHBondContact OE1-ND2 3.42Å; E158-N187 PolarHBondContact OE2-ND2 2.72Å; R183-N187 PolarHBondContact O-N 2.87Å; F184-N187 WeakPolarHBondContact CA-O 3.39Å
188	Y	67.5	Low	67.5	Low	42 Å²	42	46.4 Å²	46.4	17%	0.165	21%	0.213	C	C	.	.			trans	-106.8	144	-178.2	-52.4	-80.1	0	0	0	110.5	W131 I152 T190 W223 N227	W131-Y188 HydrophobicContact CH2-CD1 4.5Å; W131-Y188 HydrophobicContact CH2-CD2 4.02Å; W131-Y188 AromaticContact CH2-CG 3.69Å; W131-Y188 HydrophobicContact CH2-CG 3.69Å; W131-Y188 HydrophobicContact CZ2-CD2 4.15Å; W131-Y188 HydrophobicContact CZ2-CG 4.25Å; W131-Y188 VanDerWaalsContact CZ3-CB 3.45Å; W131-Y188 HydrophobicContact CZ3-CG 4.38Å; I152-Y188 CarbonylContact O-C 3.31Å; I152-Y188 VanDerWaalsContact O-C 3.29Å; Y188-T190 PolarHBondContact O-N 2.9Å; Y188-W223 HydrophobicContact CD1-CH2 4.4Å; Y188-W223 HydrophobicContact CD1-CZ3 4Å; Y188-W223 AromaticContact CE1-CH2 3.49Å; Y188-W223 HydrophobicContact CE1-CH2 3.49Å; Y188-W223 VanDerWaalsContact CE1-CH2 3.49Å; Y188-W223 AromaticContact CE1-CZ3 3.47Å; Y188-W223 HydrophobicContact CE1-CZ3 3.47Å; Y188-W223 VanDerWaalsContact CE1-CZ3 3.47Å; Y188-N227 HydrophobicContact CE1-CB 3.63Å
189	P	76.8	Confident	69.8	Low	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.22	C	C	.	.			trans	-57.2	114.2	173.6	-26.5	35.5	0	0	0	112.1	W131 L151 I152 F184 L191 L192 I258	W131-P189 WeakPolarHBondContact CZ3-O 3.47Å; L151-P189 CarbonylContact O-C 3.51Å; L151-P189 VanDerWaalsContact O-CA 3.25Å; L151-P189 WeakPolarHBondContact O-CA 3.19Å; I152-P189 WeakPolarHBondContact O-CA 3.32Å; F184-P189 HydrophobicContact CD1-CG 4.2Å; F184-P189 HydrophobicContact CE1-CG 3.79Å; P189-L191 PolarHBondContact O-N 2.99Å; P189-L191 VanDerWaalsContact O-N 3.09Å; P189-L192 HydrophobicContact CB-CB 4.45Å; P189-L192 HydrophobicContact CB-CD1 3.9Å; P189-L192 HydrophobicContact CB-CG 4.06Å; P189-L192 HydrophobicContact CG-CD1 3.93Å; P189-L192 WeakPolarHBondContact O-CB 3.46Å; P189-L192 PolarHBondContact O-N 2.83Å; P189-I258 HydrophobicContact CB-CG2 3.63Å; P189-I258 HydrophobicContact CG-CG2 4.34Å
190	T	80.2	Confident	72	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.037	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-52.3	-42.1	-169.1	-52.2	0	0	0	0	112.7	I127 L130 L150 L151 Y188 L192 G193	I127-T190 HydrophobicContact CD1-CG2 4.09Å; I127-T190 HydrophobicContact CG1-CG2 4.01Å; I127-T190 VanDerWaalsContact O-CG2 3.27Å; I127-T190 WeakPolarHBondContact O-CG2 3.48Å; L130-T190 HydrophobicContact CB-CG2 4.28Å; L150-T190 PolarHBondContact O-OG1 3.35Å; L151-T190 PolarHBondContact O-N 3.12Å; L151-T190 VanDerWaalsContact O-N 3.16Å; Y188-T190 PolarHBondContact O-N 2.9Å; T190-L192 VanDerWaalsContact C-N 3.35Å; T190-L192 PolarHBondContact O-N 2.8Å; T190-G193 PolarHBondContact O-N 2.75Å
191	L	87.8	Confident	74.4	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-71.3	-26	-177	-64.2	-175.9	0	0	0	113.5	L139 M141 L151 P189 G193 I194 L200 L202 L259 P260	L139-L191 HydrophobicContact CD2-CD2 4.08Å; M141-L191 HydrophobicContact CE-CD1 4.43Å; M141-L191 HydrophobicContact CE-CD2 3.9Å; L151-L191 HydrophobicContact CD2-CD1 3.63Å; L151-L191 HydrophobicContact CD2-CG 3.98Å; P189-L191 PolarHBondContact O-N 2.99Å; P189-L191 VanDerWaalsContact O-N 3.09Å; L191-G193 PolarHBondContact O-N 2.81Å; L191-I194 HydrophobicContact CD2-CD1 3.92Å; L191-I194 PolarHBondContact O-N 3.37Å; L191-L200 HydrophobicContact CD1-CD2 3.88Å; L191-L202 HydrophobicContact CD1-CD1 4.47Å; L191-L259 HydrophobicContact CD1-CD2 3.57Å; L191-P260 WeakPolarHBondContact O-CD 3.27Å; L191-P260 WeakPolarHBondContact O-CG 3.24Å
192	L	83.3	Confident	76.7	Confident	7 Å²	7	34 Å²	34	4%	0.037	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-65	-24.4	173.7	-69.9	178.2	0	0	0	112.1	P189 T190 I194 I224 L228 I258	P189-L192 HydrophobicContact CB-CB 4.45Å; P189-L192 HydrophobicContact CB-CD1 3.9Å; P189-L192 HydrophobicContact CB-CG 4.06Å; P189-L192 HydrophobicContact CG-CD1 3.93Å; P189-L192 WeakPolarHBondContact O-CB 3.46Å; P189-L192 PolarHBondContact O-N 2.83Å; T190-L192 VanDerWaalsContact C-N 3.35Å; T190-L192 PolarHBondContact O-N 2.8Å; L192-I194 PolarHBondContact O-N 3.07Å; L192-I224 HydrophobicContact CD1-CG2 3.79Å; L192-L228 HydrophobicContact CB-CD1 4.13Å; L192-I258 WeakPolarHBondContact CD2-O 3.35Å; L192-I258 WeakPolarHBondContact CG-O 3.48Å
193	G	80.5	Confident	79.2	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.01	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-69.9	0.3	171.4	0	0	0	0	0	114.8	G132 T190 L191 P195	G132-G193 WeakPolarHBondContact CA-O 3.42Å; G132-G193 PolarHBondContact N-O 3.45Å; T190-G193 PolarHBondContact O-N 2.75Å; L191-G193 PolarHBondContact O-N 2.81Å; G193-P195 VanDerWaalsContact O-CD 3.26Å; G193-P195 WeakPolarHBondContact O-CD 3.44Å
194	I	88.4	Confident	81.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.			trans	-118	68.1	179	-42.9	176.4	0	0	0	109.3	L130 C133 L136 L139 L191 L192 Q196 L197 P260	L130-I194 HydrophobicContact CB-CD1 3.93Å; C133-I194 WeakPolarHBondContact O-CG2 3.47Å; L136-I194 HydrophobicContact CB-CG2 3.76Å; L136-I194 HydrophobicContact CD2-CD1 4.37Å; L136-I194 HydrophobicContact CD2-CG2 4.14Å; L136-I194 HydrophobicContact CG-CG2 4.44Å; L139-I194 HydrophobicContact CD2-CD1 4.07Å; L191-I194 HydrophobicContact CD2-CD1 3.92Å; L191-I194 PolarHBondContact O-N 3.37Å; L192-I194 PolarHBondContact O-N 3.07Å; I194-Q196 VanDerWaalsContact C-N 3.25Å; I194-Q196 PolarHBondContact O-N 2.87Å; I194-Q196 VanDerWaalsContact O-N 3.14Å; I194-L197 HydrophobicContact CG2-CB 4.05Å; I194-L197 HydrophobicContact CG2-CD1 4.18Å; I194-L197 WeakPolarHBondContact O-CB 3.47Å; I194-L197 PolarHBondContact O-N 3.31Å; I194-P260 WeakPolarHBondContact O-CG 3.24Å
195	P	85.2	Confident	83.6	Confident	11 Å²	11	29 Å²	29	7%	0.071	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.5	-164.2	28.1	-37.2	0	0	0	114.5	M134 G193 K262	M134-P195 HydrophobicContact SD-CG 3.76Å; G193-P195 VanDerWaalsContact O-CD 3.26Å; G193-P195 WeakPolarHBondContact O-CD 3.44Å; P195-K262 WeakPolarHBondContact O-CD 3.37Å
196	Q	89.9	Confident	85.7	Confident	69 Å²	69	29.7 Å²	29.7	32%	0.322	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.8	-179.4	-57.7	-62.1	-16.4	0	0	113.6	M134 L136 I194 R198 K262	M134-Q196 WeakPolarHBondContact O-CB 3.19Å; M134-Q196 WeakPolarHBondContact O-CG 3.5Å; L136-Q196 CarbonylContact O-C 3.47Å; I194-Q196 VanDerWaalsContact C-N 3.25Å; I194-Q196 PolarHBondContact O-N 2.87Å; I194-Q196 VanDerWaalsContact O-N 3.14Å; Q196-R198 PolarHBondContact O-N 3.48Å; Q196-K262 VanDerWaalsContact CD-NZ 3.28Å; Q196-K262 VanDerWaalsContact NE2-NZ 3.14Å
197	L	94.5	Very high	87.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.			trans	-62.6	127.3	-176.3	-161.6	69.6	0	0	0	111.3	L136 L139 I194 L200 P260 K262 I263	L136-L197 HydrophobicContact CD2-CD1 4.38Å; L136-L197 HydrophobicContact CG-CD1 4.37Å; L136-L197 WeakPolarHBondContact O-CA 3.46Å; L136-L197 PolarHBondContact O-N 3.21Å; L139-L197 HydrophobicContact CB-CD1 3.69Å; L139-L197 HydrophobicContact CB-CD2 4.42Å; I194-L197 HydrophobicContact CG2-CB 4.05Å; I194-L197 HydrophobicContact CG2-CD1 4.18Å; I194-L197 WeakPolarHBondContact O-CB 3.47Å; I194-L197 PolarHBondContact O-N 3.31Å; L197-L200 HydrophobicContact CD2-CB 3.93Å; L197-L200 HydrophobicContact CD2-CD1 4.11Å; L197-L200 HydrophobicContact CD2-CD2 4.16Å; L197-L200 HydrophobicContact CD2-CG 4.29Å; L197-P260 HydrophobicContact CB-CG 4.48Å; L197-K262 CarbonylContact O-C 3.42Å; L197-I263 HydrophobicContact CD2-CD1 4.45Å; L197-I263 WeakPolarHBondContact O-CA 3.41Å; L197-I263 PolarHBondContact O-N 3.06Å
198	R	96.4	Very high	89	Confident	100 Å²	100	25.9 Å²	25.9	38%	0.377	13%	0.128	S	C	.	.			trans	-113.3	-36.7	179.4	-62.1	-170	-171.6	-175.8	3.1	112.2	R137 Q196 E264 Y265	R137-R198 PolarHBondContact O-N 3.2Å; Q196-R198 PolarHBondContact O-N 3.48Å; R198-E264 PolarHBondContact O-N 3.1Å; R198-Y265 PolarHBondContact O-N 3.47Å
199	F	98.3	Very high	89.7	Confident	45 Å²	45	24.9 Å²	24.9	20%	0.197	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.9	178.6	-179.1	-74.8	0	0	0	109.1	R137 Y138 L139 N201 Y265	R137-F199 PolarHBondContact O-N 2.81Å; Y138-F199 HydrophobicContact CD2-CB 3.75Å; Y138-F199 AromaticContact CD2-CD1 3.3Å; Y138-F199 HydrophobicContact CD2-CD1 3.3Å; Y138-F199 HydrophobicContact CD2-CD2 4.06Å; Y138-F199 AromaticContact CD2-CE1 3.86Å; Y138-F199 HydrophobicContact CD2-CE1 3.86Å; Y138-F199 AromaticContact CD2-CG 3.43Å; Y138-F199 HydrophobicContact CD2-CG 3.43Å; Y138-F199 VanDerWaalsContact CD2-CG 3.43Å; Y138-F199 HydrophobicContact CD2-CZ 4.44Å; Y138-F199 HydrophobicContact CE1-CD1 4.47Å; Y138-F199 HydrophobicContact CE1-CE1 4.43Å; Y138-F199 HydrophobicContact CE2-CB 4.44Å; Y138-F199 AromaticContact CE2-CD1 3.24Å; Y138-F199 HydrophobicContact CE2-CD1 3.24Å; Y138-F199 AromaticContact CE2-CD2 3.96Å; Y138-F199 HydrophobicContact CE2-CD2 3.96Å; Y138-F199 AromaticContact CE2-CE1 3.25Å; Y138-F199 HydrophobicContact CE2-CE1 3.25Å; Y138-F199 AromaticContact CE2-CE2 3.96Å; Y138-F199 HydrophobicContact CE2-CE2 3.96Å; Y138-F199 AromaticContact CE2-CG 3.63Å; Y138-F199 HydrophobicContact CE2-CG 3.63Å; Y138-F199 AromaticContact CE2-CZ 3.63Å; Y138-F199 HydrophobicContact CE2-CZ 3.63Å; Y138-F199 HydrophobicContact CG-CB 4.38Å; Y138-F199 AromaticContact CG-CD1 3.97Å; Y138-F199 HydrophobicContact CG-CD1 3.97Å; Y138-F199 HydrophobicContact CG-CG 4.33Å; Y138-F199 AromaticContact CZ-CD1 3.87Å; Y138-F199 AromaticContact CZ-CE1 3.58Å; L139-F199 PolarHBondContact N-O 2.89Å; F199-N201 HydrophobicContact CE1-CB 3.83Å; F199-N201 HydrophobicContact CZ-CB 4.36Å; F199-Y265 HydrophobicContact CD1-CD1 4.29Å; F199-Y265 AromaticContact CD2-CD1 3.25Å; F199-Y265 HydrophobicContact CD2-CD1 3.25Å; F199-Y265 HydrophobicContact CD2-CD2 4.24Å; F199-Y265 AromaticContact CD2-CE1 3.9Å; F199-Y265 HydrophobicContact CD2-CE1 3.9Å; F199-Y265 AromaticContact CD2-CG 3.46Å; F199-Y265 HydrophobicContact CD2-CG 3.46Å; F199-Y265 VanDerWaalsContact CD2-CG 3.46Å; F199-Y265 HydrophobicContact CE1-CD1 4.16Å; F199-Y265 HydrophobicContact CE1-CE1 4.15Å; F199-Y265 AromaticContact CE2-CD1 3.1Å; F199-Y265 HydrophobicContact CE2-CD1 3.1Å; F199-Y265 HydrophobicContact CE2-CD2 4.01Å; F199-Y265 AromaticContact CE2-CE1 3.22Å; F199-Y265 HydrophobicContact CE2-CE1 3.22Å; F199-Y265 HydrophobicContact CE2-CE2 4.12Å; F199-Y265 AromaticContact CE2-CG 3.54Å; F199-Y265 HydrophobicContact CE2-CG 3.54Å; F199-Y265 AromaticContact CE2-CZ 3.75Å; F199-Y265 AromaticContact CG-CD1 3.86Å; F199-Y265 HydrophobicContact CG-CD1 3.86Å; F199-Y265 HydrophobicContact CG-CG 4.32Å; F199-Y265 AromaticContact CZ-CD1 3.59Å; F199-Y265 HydrophobicContact CZ-CD1 3.59Å; F199-Y265 AromaticContact CZ-CE1 3.36Å; F199-Y265 HydrophobicContact CZ-CE1 3.36Å; F199-Y265 HydrophobicContact CZ-CG 4.44Å
200	L	97.7	Very high	89.6	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	123.9	175.3	177.7	58.4	0	0	0	110.1	L139 M141 L191 L197 L202 L259 I263 Y265 L266 N267	L139-L200 HydrophobicContact CB-CD1 4.28Å; L139-L200 HydrophobicContact CD2-CD1 4.23Å; L139-L200 HydrophobicContact CG-CD1 4.21Å; L139-L200 WeakPolarHBondContact O-CA 3.29Å; M141-L200 HydrophobicContact CE-CD1 3.73Å; L191-L200 HydrophobicContact CD1-CD2 3.88Å; L197-L200 HydrophobicContact CD2-CB 3.93Å; L197-L200 HydrophobicContact CD2-CD1 4.11Å; L197-L200 HydrophobicContact CD2-CD2 4.16Å; L197-L200 HydrophobicContact CD2-CG 4.29Å; L200-L202 HydrophobicContact CD1-CD1 4.41Å; L200-L202 HydrophobicContact CD1-CD2 4.27Å; L200-L202 HydrophobicContact CD1-CG 3.95Å; L200-L202 HydrophobicContact CD2-CD1 3.86Å; L200-L202 HydrophobicContact CD2-CG 4.26Å; L200-L202 HydrophobicContact CG-CD1 4.13Å; L200-L202 HydrophobicContact CG-CG 3.98Å; L200-L259 HydrophobicContact CD2-CD2 3.59Å; L200-I263 HydrophobicContact CB-CD1 4.25Å; L200-I263 HydrophobicContact CD2-CD1 3.9Å; L200-Y265 PolarHBondContact N-O 3.44Å; L200-L266 HydrophobicContact CB-CD1 3.96Å; L200-L266 HydrophobicContact CD2-CD1 3.83Å; L200-L266 HydrophobicContact CG-CD1 3.9Å; L200-L266 WeakPolarHBondContact O-CA 3.31Å; L200-N267 PolarHBondContact O-N 3.31Å
201	N	98	Very high	89.5	Confident	14 Å²	14	25.1 Å²	25.1	8%	0.075	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.7	171.7	-173.5	2.3	0	0	0	109.8	L139 D140 M141 T142 F199 S203 N267	L139-N201 PolarHBondContact O-N 3.1Å; D140-N201 HydrophobicContact CB-CB 4.31Å; D140-N201 PolarHBondContact OD1-ND2 3.21Å; D140-N201 PolarHBondContact OD2-ND2 3.12Å; M141-N201 CarbonylContact C-O 3.44Å; M141-N201 PolarHBondContact N-O 3.19Å; T142-N201 PolarHBondContact OG1-ND2 3.06Å; T142-N201 PolarHBondContact OG1-OD1 2.82Å; F199-N201 HydrophobicContact CE1-CB 3.83Å; F199-N201 HydrophobicContact CZ-CB 4.36Å; N201-S203 VanDerWaalsContact OD1-CB 3.32Å; N201-S203 WeakPolarHBondContact OD1-CB 2.79Å; N201-S203 PolarHBondContact OD1-N 3.25Å; N201-S203 VanDerWaalsContact OD1-N 3.07Å; N201-S203 PolarHBondContact OD1-OG 2.98Å; N201-N267 HydrophobicContact CB-CB 4.28Å; N201-N267 WeakPolarHBondContact OD1-CB 3.35Å; N201-N267 PolarHBondContact OD1-ND2 3.02Å
202	L	96.6	Very high	89.3	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.			trans	-118.7	14.5	178.6	-71.8	171.7	0	0	0	111.5	M141 L146 L151 L191 L200 N205 L208 F212 N267 L268 C271	M141-L202 HydrophobicContact CB-CD2 4.23Å; M141-L202 HydrophobicContact CE-CD2 3.41Å; M141-L202 VanDerWaalsContact CE-CD2 3.41Å; M141-L202 HydrophobicContact CE-CG 4.45Å; L146-L202 HydrophobicContact CD1-CD2 3.64Å; L151-L202 HydrophobicContact CD1-CD1 4.29Å; L191-L202 HydrophobicContact CD1-CD1 4.47Å; L200-L202 HydrophobicContact CD1-CD1 4.41Å; L200-L202 HydrophobicContact CD1-CD2 4.27Å; L200-L202 HydrophobicContact CD1-CG 3.95Å; L200-L202 HydrophobicContact CD2-CD1 3.86Å; L200-L202 HydrophobicContact CD2-CG 4.26Å; L200-L202 HydrophobicContact CG-CD1 4.13Å; L200-L202 HydrophobicContact CG-CG 3.98Å; L202-N205 PolarHBondContact O-ND2 3.46Å; L202-L208 HydrophobicContact CB-CD1 4.15Å; L202-L208 HydrophobicContact CD1-CD1 4.4Å; L202-L208 HydrophobicContact CD2-CD1 4.27Å; L202-F212 HydrophobicContact CD1-CE1 4.19Å; L202-F212 HydrophobicContact CD1-CZ 3.74Å; L202-N267 PolarHBondContact N-O 2.93Å; L202-L268 HydrophobicContact CB-CD2 3.94Å; L202-L268 HydrophobicContact CD1-CD2 4.03Å; L202-C271 PolarHBondContact O-SG 3.14Å
203	S	97.4	Very high	89.1	Confident	8 Å²	8	25.9 Å²	25.9	6%	0.056	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	155.2	-173.1	61.1	0	0	0	0	113.6	T142 S143 N201 N205 N267 Q269	T142-S203 CarbonylContact C-O 3.56Å; T142-S203 WeakPolarHBondContact CA-O 3.35Å; T142-S203 VanDerWaalsContact CG2-OG 3.24Å; T142-S203 WeakPolarHBondContact CG2-OG 3.46Å; T142-S203 PolarHBondContact OG1-OG 3.05Å; S143-S203 PolarHBondContact N-O 3.43Å; N201-S203 VanDerWaalsContact OD1-CB 3.32Å; N201-S203 WeakPolarHBondContact OD1-CB 2.79Å; N201-S203 PolarHBondContact OD1-N 3.25Å; N201-S203 VanDerWaalsContact OD1-N 3.07Å; N201-S203 PolarHBondContact OD1-OG 2.98Å; S203-N205 VanDerWaalsContact C-N 3.26Å; S203-N205 PolarHBondContact O-N 3.41Å; S203-N205 PolarHBondContact O-ND2 2.67Å; S203-N267 PolarHBondContact N-O 3.35Å; S203-Q269 CarbonylContact C-O 3.18Å; S203-Q269 WeakPolarHBondContact CA-O 3.18Å; S203-Q269 WeakPolarHBondContact CB-O 3.5Å
204	S	95.7	Very high	88.9	Confident	52 Å²	52	26 Å²	26	36%	0.364	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	31.8	179.6	-55.9	0	0	0	0	114.4	S143 P206 Q269	S143-S204 WeakPolarHBondContact OG-CB 3.34Å; S204-P206 WeakPolarHBondContact O-CD 3.24Å; S204-Q269 PolarHBondContact N-O 3.25Å
205	N	92.9	Very high	88.3	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.			trans	-114.7	80.7	170.7	-67.3	-68	0	0	0	109.5	M141 C144 H145 L146 L202 S203 K207 L208	M141-N205 PolarHBondContact O-ND2 2.96Å; C144-N205 PolarHBondContact N-OD1 2.63Å; H145-N205 PolarHBondContact N-OD1 2.81Å; H145-N205 VanDerWaalsContact N-OD1 3.09Å; L146-N205 HydrophobicContact CB-CB 4.17Å; L146-N205 PolarHBondContact N-OD1 3.48Å; L202-N205 PolarHBondContact O-ND2 3.46Å; S203-N205 VanDerWaalsContact C-N 3.26Å; S203-N205 PolarHBondContact O-N 3.41Å; S203-N205 PolarHBondContact O-ND2 2.67Å; N205-K207 PolarHBondContact O-N 3.17Å; N205-K207 VanDerWaalsContact O-N 3.09Å; N205-L208 HydrophobicContact CB-CD1 3.6Å; N205-L208 HydrophobicContact CB-CG 3.82Å; N205-L208 WeakPolarHBondContact O-CB 3.42Å; N205-L208 WeakPolarHBondContact O-CG 3.39Å; N205-L208 PolarHBondContact O-N 3.34Å
206	P	88.3	Confident	87.7	Confident	76 Å²	76	28.6 Å²	28.6	49%	0.494	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.3	-169.8	26.6	-36.1	0	0	0	114.4	S204 L208 N272	S204-P206 WeakPolarHBondContact O-CD 3.24Å; P206-L208 PolarHBondContact O-N 3.41Å; P206-N272 HydrophobicContact CB-CB 4.34Å; P206-N272 WeakPolarHBondContact O-CB 3.36Å
207	K	87.1	Confident	86.7	Confident	113 Å²	113	28.3 Å²	28.3	49%	0.491	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-86.7	10.3	178	-60.5	-175.3	174	-168.1	0	113.2	N147 S148 N205	N147-K207 WeakPolarHBondContact OD1-CB 3.33Å; N147-K207 WeakPolarHBondContact OD1-CD 3.4Å; S148-K207 WeakPolarHBondContact CB-O 3.21Å; S148-K207 PolarHBondContact N-O 3.27Å; S148-K207 PolarHBondContact OG-O 2.99Å; N205-K207 PolarHBondContact O-N 3.17Å; N205-K207 VanDerWaalsContact O-N 3.09Å
208	L	86.3	Confident	85.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	2.5	174.3	-62.9	-175.2	0	0	0	114	L146 L151 L202 N205 P206 N210 V211 F212	L146-L208 HydrophobicContact CB-CD1 4.36Å; L146-L208 HydrophobicContact CB-CD2 4.06Å; L146-L208 HydrophobicContact CB-CG 4.37Å; L151-L208 HydrophobicContact CD1-CD1 4.04Å; L151-L208 HydrophobicContact CD1-CD2 3.64Å; L151-L208 HydrophobicContact CD1-CG 4.42Å; L151-L208 HydrophobicContact CG-CD2 4.06Å; L202-L208 HydrophobicContact CB-CD1 4.15Å; L202-L208 HydrophobicContact CD1-CD1 4.4Å; L202-L208 HydrophobicContact CD2-CD1 4.27Å; N205-L208 HydrophobicContact CB-CD1 3.6Å; N205-L208 HydrophobicContact CB-CG 3.82Å; N205-L208 WeakPolarHBondContact O-CB 3.42Å; N205-L208 WeakPolarHBondContact O-CG 3.39Å; N205-L208 PolarHBondContact O-N 3.34Å; P206-L208 PolarHBondContact O-N 3.41Å; L208-N210 VanDerWaalsContact C-N 3.25Å; L208-N210 PolarHBondContact O-N 3.02Å; L208-V211 HydrophobicContact CD2-CG2 4.4Å; L208-V211 PolarHBondContact O-N 3.29Å; L208-V211 VanDerWaalsContact O-N 3.17Å; L208-F212 HydrophobicContact CB-CE2 3.9Å; L208-F212 HydrophobicContact CD1-CE2 4.44Å; L208-F212 HydrophobicContact CD1-CZ 4.42Å
209	S	82	Confident	83.9	Confident	21 Å²	21	28 Å²	28	15%	0.147	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-45.3	-173	55.8	0	0	0	0	114.8	C271 N272	S209-C271 WeakPolarHBondContact CA-O 3.12Å; S209-C271 PolarHBondContact N-O 3.48Å; S209-N272 WeakPolarHBondContact CB-O 3.12Å
210	N	74.7	Confident	82.4	Confident	8 Å²	8	26.9 Å²	26.9	4%	0.043	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-17.2	-171.4	-71.2	-27.8	0	0	0	114.6	L167 N171 L174 L208 F212 N213	L167-N210 PolarHBondContact O-ND2 3.46Å; N171-N210 PolarHBondContact OD1-OD1 3.27Å; L174-N210 HydrophobicContact CD1-CB 4.19Å; L208-N210 VanDerWaalsContact C-N 3.25Å; L208-N210 PolarHBondContact O-N 3.02Å; N210-F212 VanDerWaalsContact C-N 3.34Å; N210-F212 PolarHBondContact O-N 3.33Å; N210-N213 PolarHBondContact O-N 3Å
211	V	79.3	Confident	80.9	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.012	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-64	-41.3	-175	-174.7	0	0	0	0	111.6	S148 L151 L208 N213 I214 I258	S148-V211 WeakPolarHBondContact O-CG2 3.35Å; S148-V211 VanDerWaalsContact OG-CG2 3.23Å; S148-V211 WeakPolarHBondContact OG-CG2 3.23Å; L151-V211 HydrophobicContact CB-CG1 4.18Å; L151-V211 HydrophobicContact CD1-CG1 4.15Å; L151-V211 HydrophobicContact CD1-CG2 4.43Å; L208-V211 HydrophobicContact CD2-CG2 4.4Å; L208-V211 PolarHBondContact O-N 3.29Å; L208-V211 VanDerWaalsContact O-N 3.17Å; V211-N213 PolarHBondContact O-N 3.42Å; V211-I214 WeakPolarHBondContact O-CB 3.3Å; V211-I214 PolarHBondContact O-N 3.17Å; V211-I214 VanDerWaalsContact O-N 3.09Å; V211-I258 HydrophobicContact CG1-CB 4.4Å; V211-I258 HydrophobicContact CG1-CD1 3.51Å; V211-I258 HydrophobicContact CG1-CG2 4.23Å
212	F	83.1	Confident	79.4	Confident	6 Å²	6	31 Å²	31	3%	0.026	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-75.3	-7.2	-175.7	-54.8	-68.7	0	0	0	113.3	L151 L202 L208 N210 L259 L268 I273 I276 N277 G278 L279	L151-F212 HydrophobicContact CD1-CZ 4.44Å; L202-F212 HydrophobicContact CD1-CE1 4.19Å; L202-F212 HydrophobicContact CD1-CZ 3.74Å; L208-F212 HydrophobicContact CB-CE2 3.9Å; L208-F212 HydrophobicContact CD1-CE2 4.44Å; L208-F212 HydrophobicContact CD1-CZ 4.42Å; N210-F212 VanDerWaalsContact C-N 3.34Å; N210-F212 PolarHBondContact O-N 3.33Å; F212-L259 HydrophobicContact CD1-CD1 4.18Å; F212-L259 HydrophobicContact CE1-CD1 3.87Å; F212-L259 HydrophobicContact CE1-CD2 4.42Å; F212-L259 HydrophobicContact CE1-CG 4.25Å; F212-L268 HydrophobicContact CD1-CD1 4.1Å; F212-L268 HydrophobicContact CD2-CD1 4.16Å; F212-L268 HydrophobicContact CE1-CD1 4.12Å; F212-L268 HydrophobicContact CE1-CD2 3.8Å; F212-L268 HydrophobicContact CE2-CD1 4.15Å; F212-L268 HydrophobicContact CE2-CD2 3.72Å; F212-L268 HydrophobicContact CE2-CG 4.48Å; F212-L268 HydrophobicContact CG-CD1 4.12Å; F212-L268 HydrophobicContact CZ-CD1 4.14Å; F212-L268 HydrophobicContact CZ-CD2 3.3Å; F212-L268 HydrophobicContact CZ-CG 4.35Å; F212-I273 HydrophobicContact CD2-CD1 3.45Å; F212-I273 VanDerWaalsContact CD2-CD1 3.45Å; F212-I273 HydrophobicContact CD2-CG1 3.94Å; F212-I273 HydrophobicContact CE2-CD1 3.84Å; F212-I273 HydrophobicContact CE2-CG1 4.48Å; F212-I273 HydrophobicContact CG-CD1 4.29Å; F212-I276 CarbonylContact O-C 3.57Å; F212-N277 PolarHBondContact O-N 3.12Å; F212-G278 WeakPolarHBondContact O-CA 3.23Å; F212-G278 PolarHBondContact O-N 3.25Å; F212-L279 HydrophobicContact CD1-CD2 4.31Å
213	N	79.4	Confident	77.6	Confident	17 Å²	17	31.8 Å²	31.8	9%	0.091	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-85.4	-15.8	170.5	-165.3	33.7	0	0	0	112.5	N171 N210 V211 Q215 N277	N171-N213 PolarHBondContact O-ND2 2.94Å; N210-N213 PolarHBondContact O-N 3Å; V211-N213 PolarHBondContact O-N 3.42Å; N213-Q215 PolarHBondContact O-N 2.81Å; N213-N277 WeakPolarHBondContact OD1-CB 3.42Å; N213-N277 PolarHBondContact OD1-ND2 3.25Å
214	I	75.5	Confident	76	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.026	17%	0.17	C	C	.	.			trans	-69.6	130.3	-177.2	-62.2	168.5	0	0	0	109.9	I152 L174 V211 I258 G278	I152-I214 HydrophobicContact CD1-CD1 3.47Å; I152-I214 VanDerWaalsContact CD1-CD1 3.47Å; I152-I214 HydrophobicContact CG1-CD1 4.42Å; L174-I214 HydrophobicContact CB-CD1 4.18Å; L174-I214 HydrophobicContact CD2-CD1 3.66Å; V211-I214 WeakPolarHBondContact O-CB 3.3Å; V211-I214 PolarHBondContact O-N 3.17Å; V211-I214 VanDerWaalsContact O-N 3.09Å; I214-I258 HydrophobicContact CB-CD1 3.68Å; I214-I258 HydrophobicContact CB-CG1 4.49Å; I214-I258 HydrophobicContact CD1-CD1 3.56Å; I214-I258 HydrophobicContact CG1-CD1 4.19Å; I214-I258 HydrophobicContact CG2-CD1 3.84Å; I214-I258 HydrophobicContact CG2-CG1 4.35Å; I214-G278 VanDerWaalsContact O-CA 3.31Å; I214-G278 WeakPolarHBondContact O-CA 3.44Å
215	Q	75.8	Confident	74.4	Confident	63 Å²	63	30.1 Å²	30.1	29%	0.294	16%	0.159	S	C	.	.			trans	-119.5	120.5	177.2	-72.6	-170.8	-32.7	0	0	109	N213 C255 Y256 N277	N213-Q215 PolarHBondContact O-N 2.81Å; Q215-C255 HydrophobicContact CB-CB 3.64Å; Q215-C255 HydrophobicContact CG-CB 3.58Å; Q215-C255 VanDerWaalsContact NE2-CB 3.27Å; Q215-C255 PolarHBondContact OE1-SG 2.63Å; Q215-Y256 WeakPolarHBondContact CA-O 3.32Å; Q215-N277 HydrophobicContact CG-CB 3.95Å; Q215-N277 PolarHBondContact NE2-O 2.82Å
216	L	72.2	Confident	73	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-90.3	133.2	172.4	-59.1	171.5	0	0	0	108.6	F184 E220 I224 C255 Y256	F184-L216 HydrophobicContact CD2-CD2 4.39Å; F184-L216 HydrophobicContact CE1-CD2 4.37Å; F184-L216 HydrophobicContact CE2-CD2 3.61Å; F184-L216 HydrophobicContact CZ-CD2 3.62Å; L216-E220 VanDerWaalsContact CA-OE2 3.26Å; L216-E220 WeakPolarHBondContact CA-OE2 3.32Å; L216-E220 HydrophobicContact CB-CB 4.32Å; L216-E220 HydrophobicContact CD2-CB 4.42Å; L216-I224 HydrophobicContact CD1-CD1 3.81Å; L216-I224 HydrophobicContact CD2-CD1 4.38Å; L216-C255 CarbonylContact O-C 3.57Å; L216-C255 WeakPolarHBondContact O-CA 3.37Å; L216-Y256 PolarHBondContact N-O 2.8Å; L216-Y256 PolarHBondContact O-N 3.24Å
217	N	68.6	Low	71.6	Confident	63 Å²	63	30.5 Å²	30.5	34%	0.337	16%	0.156	S	C	.	.			trans	-72.7	171.2	172.3	68.3	39.1	0	0	0	110.8	N219 E220 W221	N217-N219 VanDerWaalsContact C-N 3.26Å; N217-N219 PolarHBondContact O-N 3.22Å; N217-N219 WeakPolarHBondContact OD1-CA 3.41Å; N217-N219 WeakPolarHBondContact OD1-CB 3.38Å; N217-N219 PolarHBondContact OD1-N 2.85Å; N217-E220 PolarHBondContact N-OE2 3.37Å; N217-E220 PolarHBondContact O-N 2.94Å; N217-E220 WeakPolarHBondContact OD1-CB 3.48Å; N217-E220 VanDerWaalsContact OD1-CG 3.3Å; N217-E220 WeakPolarHBondContact OD1-CG 3.36Å; N217-E220 PolarHBondContact OD1-N 3.39Å; N217-W221 WeakPolarHBondContact O-CB 3.24Å; N217-W221 PolarHBondContact O-N 2.96Å
218	S	68.3	Low	70.3	Confident	39 Å²	39	26.1 Å²	26.1	27%	0.273	14%	0.138	S	C	.	.	H	α-helix	trans	-59.7	-35.5	179.9	51.1	0	0	0	0	113.2	S222	S218-S222 WeakPolarHBondContact O-CB 3.28Å; S218-S222 PolarHBondContact O-N 3.35Å
219	N	64.3	Low	68.7	Low	55 Å²	55	32 Å²	32	29%	0.294	16%	0.162	S	C	.	.	H	α-helix	trans	-71.2	-46.5	-178.6	-65.8	-17.3	0	0	0	111.3	N217 S222 W223 F240	N217-N219 VanDerWaalsContact C-N 3.26Å; N217-N219 PolarHBondContact O-N 3.22Å; N217-N219 WeakPolarHBondContact OD1-CA 3.41Å; N217-N219 WeakPolarHBondContact OD1-CB 3.38Å; N217-N219 PolarHBondContact OD1-N 2.85Å; N219-S222 PolarHBondContact O-N 3.01Å; N219-W223 WeakPolarHBondContact O-CB 3.36Å; N219-W223 PolarHBondContact O-N 3.24Å; N219-F240 HydrophobicContact CB-CE1 4.39Å
220	E	66.6	Low	67.2	Low	21 Å²	21	34.9 Å²	34.9	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-47.6	174.2	-72.4	167.4	165.6	0	0	110.4	L216 N217 W223 I224	L216-E220 VanDerWaalsContact CA-OE2 3.26Å; L216-E220 WeakPolarHBondContact CA-OE2 3.32Å; L216-E220 HydrophobicContact CB-CB 4.32Å; L216-E220 HydrophobicContact CD2-CB 4.42Å; N217-E220 PolarHBondContact N-OE2 3.37Å; N217-E220 PolarHBondContact O-N 2.94Å; N217-E220 WeakPolarHBondContact OD1-CB 3.48Å; N217-E220 VanDerWaalsContact OD1-CG 3.3Å; N217-E220 WeakPolarHBondContact OD1-CG 3.36Å; N217-E220 PolarHBondContact OD1-N 3.39Å; E220-W223 PolarHBondContact O-N 3.25Å; E220-I224 VanDerWaalsContact O-CG1 3.25Å; E220-I224 WeakPolarHBondContact O-CG1 3.3Å; E220-I224 PolarHBondContact O-N 2.87Å
221	W	66.9	Low	66	Low	57 Å²	57	41 Å²	41	22%	0.216	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-46.3	178.3	-173.4	83.7	0	0	0	111.6	N217 W223 I224 Q225 Y256	N217-W221 WeakPolarHBondContact O-CB 3.24Å; N217-W221 PolarHBondContact O-N 2.96Å; W221-W223 VanDerWaalsContact C-N 3.31Å; W221-W223 PolarHBondContact O-N 3.21Å; W221-I224 PolarHBondContact O-N 2.82Å; W221-Q225 HydrophobicContact CD2-CG 3.84Å; W221-Q225 HydrophobicContact CE3-CG 3.93Å; W221-Q225 HydrophobicContact CH2-CG 3.72Å; W221-Q225 HydrophobicContact CZ2-CG 3.62Å; W221-Q225 HydrophobicContact CZ3-CG 3.87Å; W221-Q225 WeakPolarHBondContact O-CB 3.44Å; W221-Q225 VanDerWaalsContact O-CG 3.28Å; W221-Q225 WeakPolarHBondContact O-CG 3.4Å; W221-Q225 PolarHBondContact O-N 3.2Å; W221-Y256 HydrophobicContact CB-CD2 3.6Å; W221-Y256 HydrophobicContact CB-CE2 4.21Å; W221-Y256 HydrophobicContact CB-CG 3.79Å; W221-Y256 AromaticContact CD1-CD1 3.64Å; W221-Y256 AromaticContact CD1-CG 3.46Å; W221-Y256 VanDerWaalsContact CD1-CG 3.46Å; W221-Y256 AromaticContact CD2-CD1 3.72Å; W221-Y256 HydrophobicContact CD2-CD1 3.72Å; W221-Y256 HydrophobicContact CD2-CD2 4.13Å; W221-Y256 AromaticContact CD2-CE1 3.79Å; W221-Y256 HydrophobicContact CD2-CE1 3.79Å; W221-Y256 HydrophobicContact CD2-CE2 4.21Å; W221-Y256 AromaticContact CD2-CG 3.89Å; W221-Y256 HydrophobicContact CD2-CG 3.89Å; W221-Y256 AromaticContact CE2-CD1 3.64Å; W221-Y256 AromaticContact CE2-CE1 3.82Å; W221-Y256 HydrophobicContact CE3-CD1 4.46Å; W221-Y256 HydrophobicContact CE3-CE1 4.08Å; W221-Y256 HydrophobicContact CE3-CE2 4.27Å; W221-Y256 AromaticContact CE3-CZ 3.98Å; W221-Y256 AromaticContact CG-CD1 3.72Å; W221-Y256 HydrophobicContact CG-CD1 3.72Å; W221-Y256 AromaticContact CG-CD2 3.67Å; W221-Y256 HydrophobicContact CG-CD2 3.67Å; W221-Y256 HydrophobicContact CG-CE1 4.22Å; W221-Y256 HydrophobicContact CG-CE2 4.19Å; W221-Y256 AromaticContact CG-CG 3.41Å; W221-Y256 HydrophobicContact CG-CG 3.41Å; W221-Y256 VanDerWaalsContact CG-CG 3.41Å; W221-Y256 HydrophobicContact CH2-CE1 4.41Å; W221-Y256 HydrophobicContact CZ2-CD1 4.32Å; W221-Y256 HydrophobicContact CZ2-CE1 4.14Å; W221-Y256 HydrophobicContact CZ3-CE1 4.38Å; W221-Y256 AromaticContact NE1-CD1 3.57Å; W221-Y256 AromaticContact NE1-CG 3.91Å
222	S	66.1	Low	64.3	Low	43 Å²	43	49.6 Å²	49.6	30%	0.301	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-38.6	176.4	-177	0	0	0	0	111.8	S218 N219 Q225 N226	S218-S222 WeakPolarHBondContact O-CB 3.28Å; S218-S222 PolarHBondContact O-N 3.35Å; N219-S222 PolarHBondContact O-N 3.01Å; S222-Q225 PolarHBondContact O-N 2.93Å; S222-N226 VanDerWaalsContact O-CB 3.29Å; S222-N226 WeakPolarHBondContact O-CB 3.27Å; S222-N226 PolarHBondContact O-N 3.31Å; S222-N226 PolarHBondContact O-ND2 3.35Å
223	W	58.8	Low	62.3	Low	18 Å²	18	54 Å²	54	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-46.4	175	-176.6	93.8	0	0	0	111.4	F184 I185 Y188 N219 E220 W221 Q225 N226 N227 F240	F184-W223 HydrophobicContact CB-CZ3 4.3Å; F184-W223 WeakPolarHBondContact O-CH2 3.13Å; F184-W223 WeakPolarHBondContact O-CZ3 3.41Å; I185-W223 HydrophobicContact CB-CH2 4.39Å; I185-W223 HydrophobicContact CB-CZ2 4.27Å; I185-W223 HydrophobicContact CG1-CZ2 4.16Å; I185-W223 HydrophobicContact CG2-CZ2 4.35Å; Y188-W223 HydrophobicContact CD1-CH2 4.4Å; Y188-W223 HydrophobicContact CD1-CZ3 4Å; Y188-W223 AromaticContact CE1-CH2 3.49Å; Y188-W223 HydrophobicContact CE1-CH2 3.49Å; Y188-W223 VanDerWaalsContact CE1-CH2 3.49Å; Y188-W223 AromaticContact CE1-CZ3 3.47Å; Y188-W223 HydrophobicContact CE1-CZ3 3.47Å; Y188-W223 VanDerWaalsContact CE1-CZ3 3.47Å; N219-W223 WeakPolarHBondContact O-CB 3.36Å; N219-W223 PolarHBondContact O-N 3.24Å; E220-W223 PolarHBondContact O-N 3.25Å; W221-W223 VanDerWaalsContact C-N 3.31Å; W221-W223 PolarHBondContact O-N 3.21Å; W223-Q225 VanDerWaalsContact C-N 3.34Å; W223-Q225 PolarHBondContact O-N 3Å; W223-N226 PolarHBondContact O-N 2.63Å; W223-N227 HydrophobicContact CH2-CB 4.42Å; W223-N227 WeakPolarHBondContact CH2-ND2 3.32Å; W223-N227 WeakPolarHBondContact CZ2-ND2 3.48Å; W223-N227 PolarHBondContact NE1-ND2 2.88Å; W223-N227 PolarHBondContact O-N 2.87Å; W223-N227 PolarHBondContact O-ND2 3.26Å; W223-F240 HydrophobicContact CB-CE1 4.43Å; W223-F240 AromaticContact CD1-CD1 3.85Å; W223-F240 AromaticContact CD1-CG 3.95Å
224	I	64.8	Low	60.4	Low	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62	-44.1	177.3	-66.6	166.1	0	0	0	110	F184 L192 L216 E220 W221 N227 L228	F184-I224 HydrophobicContact CD1-CD1 4.12Å; F184-I224 HydrophobicContact CG-CD1 4.33Å; L192-I224 HydrophobicContact CD1-CG2 3.79Å; L216-I224 HydrophobicContact CD1-CD1 3.81Å; L216-I224 HydrophobicContact CD2-CD1 4.38Å; E220-I224 VanDerWaalsContact O-CG1 3.25Å; E220-I224 WeakPolarHBondContact O-CG1 3.3Å; E220-I224 PolarHBondContact O-N 2.87Å; W221-I224 PolarHBondContact O-N 2.82Å; I224-N227 PolarHBondContact O-N 2.87Å; I224-L228 HydrophobicContact CG2-CD1 3.68Å; I224-L228 HydrophobicContact CG2-CG 4.25Å; I224-L228 WeakPolarHBondContact O-CB 3.26Å; I224-L228 WeakPolarHBondContact O-CD1 3.41Å; I224-L228 WeakPolarHBondContact O-CG 3.43Å; I224-L228 PolarHBondContact O-N 2.9Å
225	Q	61.8	Low	58.5	Low	25 Å²	25	63.5 Å²	63.5	12%	0.117	33%	0.325	C	S	.	.	H	α-helix	trans	-63	-43.6	175.8	-68.3	-64.2	-65.2	0	0	112.4	W221 S222 W223 N227 L228 Y229	W221-Q225 HydrophobicContact CD2-CG 3.84Å; W221-Q225 HydrophobicContact CE3-CG 3.93Å; W221-Q225 HydrophobicContact CH2-CG 3.72Å; W221-Q225 HydrophobicContact CZ2-CG 3.62Å; W221-Q225 HydrophobicContact CZ3-CG 3.87Å; W221-Q225 WeakPolarHBondContact O-CB 3.44Å; W221-Q225 VanDerWaalsContact O-CG 3.28Å; W221-Q225 WeakPolarHBondContact O-CG 3.4Å; W221-Q225 PolarHBondContact O-N 3.2Å; S222-Q225 PolarHBondContact O-N 2.93Å; W223-Q225 VanDerWaalsContact C-N 3.34Å; W223-Q225 PolarHBondContact O-N 3Å; Q225-N227 PolarHBondContact O-N 3.37Å; Q225-L228 VanDerWaalsContact NE2-CD1 3.28Å; Q225-L228 WeakPolarHBondContact O-CB 3.27Å; Q225-L228 PolarHBondContact O-N 3.18Å; Q225-Y229 WeakPolarHBondContact O-CD2 3.36Å; Q225-Y229 PolarHBondContact O-N 3.24Å
226	N	62.5	Low	56.5	Low	73 Å²	73	62.4 Å²	62.4	39%	0.39	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-40.6	179.4	-76.5	-20.6	0	0	0	111.7	S222 W223 N230	S222-N226 VanDerWaalsContact O-CB 3.29Å; S222-N226 WeakPolarHBondContact O-CB 3.27Å; S222-N226 PolarHBondContact O-N 3.31Å; S222-N226 PolarHBondContact O-ND2 3.35Å; W223-N226 PolarHBondContact O-N 2.63Å; N226-N230 WeakPolarHBondContact O-CA 3.21Å; N226-N230 WeakPolarHBondContact O-CB 3.45Å; N226-N230 PolarHBondContact O-N 3.44Å
227	N	58.9	Low	55	Low	10 Å²	10	67 Å²	67	5%	0.053	35%	0.346	C	S	.	.	H	α-helix	trans	-75.4	-29.3	175.8	-68.9	-73.7	0	0	0	113	Y188 W223 I224 Q225 Y229	Y188-N227 HydrophobicContact CE1-CB 3.63Å; W223-N227 HydrophobicContact CH2-CB 4.42Å; W223-N227 WeakPolarHBondContact CH2-ND2 3.32Å; W223-N227 WeakPolarHBondContact CZ2-ND2 3.48Å; W223-N227 PolarHBondContact NE1-ND2 2.88Å; W223-N227 PolarHBondContact O-N 2.87Å; W223-N227 PolarHBondContact O-ND2 3.26Å; I224-N227 PolarHBondContact O-N 2.87Å; Q225-N227 PolarHBondContact O-N 3.37Å; N227-Y229 VanDerWaalsContact C-N 3.27Å; N227-Y229 PolarHBondContact O-N 3.32Å
228	L	59.6	Low	53.6	Low	21 Å²	21	71.7 Å²	71.7	11%	0.11	37%	0.366	C	S	.	.	H	α-helix	trans	-57.3	-39.7	172.3	-90.7	161.1	0	0	0	112	W131 L192 I224 Q225	W131-L228 HydrophobicContact CH2-CD2 3.05Å; W131-L228 HydrophobicContact CH2-CG 3.79Å; W131-L228 HydrophobicContact CZ2-CD2 3.39Å; W131-L228 HydrophobicContact CZ2-CG 4.24Å; W131-L228 HydrophobicContact CZ3-CD2 3.75Å; L192-L228 HydrophobicContact CB-CD1 4.13Å; I224-L228 HydrophobicContact CG2-CD1 3.68Å; I224-L228 HydrophobicContact CG2-CG 4.25Å; I224-L228 WeakPolarHBondContact O-CB 3.26Å; I224-L228 WeakPolarHBondContact O-CD1 3.41Å; I224-L228 WeakPolarHBondContact O-CG 3.43Å; I224-L228 PolarHBondContact O-N 2.9Å; Q225-L228 VanDerWaalsContact NE2-CD1 3.28Å; Q225-L228 WeakPolarHBondContact O-CB 3.27Å; Q225-L228 PolarHBondContact O-N 3.18Å
229	Y	53.3	Low	52	Low	125 Å²	125	78.1 Å²	78.1	49%	0.49	39%	0.386	S	S	.	.	H	α-helix	trans	-102.9	-25.5	-175.4	-63.4	-66	0	0	0	114.2	Q225 N227	Q225-Y229 WeakPolarHBondContact O-CD2 3.36Å; Q225-Y229 PolarHBondContact O-N 3.24Å; N227-Y229 VanDerWaalsContact C-N 3.27Å; N227-Y229 PolarHBondContact O-N 3.32Å
230	N	50	Low	50.9	Low	81 Å²	81	78.2 Å²	78.2	43%	0.433	38%	0.383	S	S	.	.			trans	-116.7	70.8	-176	-57.5	-30.3	0	0	0	111.5	N226 E232	N226-N230 WeakPolarHBondContact O-CA 3.21Å; N226-N230 WeakPolarHBondContact O-CB 3.45Å; N226-N230 PolarHBondContact O-N 3.44Å; N230-E232 PolarHBondContact O-N 2.93Å; N230-E232 VanDerWaalsContact O-N 3.11Å
231	N	49.4	Very low	49.6	Very low	137 Å²	137	81.4 Å²	81.4	73%	0.733	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-8.8	178.1	-114.9	-16.5	0	0	0	113.9
232	E	44.2	Very low	48.2	Very low	181 Å²	181	86.4 Å²	86.4	85%	0.846	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-14.2	-172	-64.8	-169.8	166.3	0	0	115.4	N230 L234	N230-E232 PolarHBondContact O-N 2.93Å; N230-E232 VanDerWaalsContact O-N 3.11Å; E232-L234 PolarHBondContact O-N 3.13Å
233	N	40.7	Very low	46.8	Very low	99 Å²	99	88.4 Å²	88.4	53%	0.529	43%	0.432	S	S	.	.			trans	-95.1	85.4	-174.2	-79	-23.7	0	0	0	112.9	V235 A236	N233-V235 PolarHBondContact O-N 3.35Å; N233-A236 WeakPolarHBondContact O-CB 3.5Å; N233-A236 PolarHBondContact O-N 3.44Å
234	L	39.6	Very low	46	Very low	133 Å²	133	90.3 Å²	90.3	70%	0.696	44%	0.443	S	S	*	.	H	α-helix	trans	-49.2	-28.2	165.2	-86.6	159.8	0	0	0	113.1	E232 A236 K237	E232-L234 PolarHBondContact O-N 3.13Å; L234-A236 VanDerWaalsContact C-N 3.29Å; L234-A236 PolarHBondContact O-N 3.47Å; L234-K237 HydrophobicContact CD2-CD 4.42Å; L234-K237 WeakPolarHBondContact O-CB 3.4Å; L234-K237 PolarHBondContact O-N 2.97Å; L234-K237 VanDerWaalsContact O-N 3.13Å
235	V	35.7	Very low	44.7	Very low	89 Å²	89	96.7 Å²	96.7	54%	0.539	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-33.1	179.1	-176.5	0	0	0	0	112.1	N233 K237 Q238 Y239	N233-V235 PolarHBondContact O-N 3.35Å; V235-K237 VanDerWaalsContact C-N 3.27Å; V235-K237 PolarHBondContact O-N 3.11Å; V235-Q238 PolarHBondContact O-N 2.84Å; V235-Y239 HydrophobicContact CG1-CD2 3.69Å; V235-Y239 HydrophobicContact CG1-CE2 3.9Å; V235-Y239 PolarHBondContact O-N 3.3Å
236	A	34.2	Very low	43.6	Very low	39 Å²	39	101.9 Å²	101.9	32%	0.322	51%	0.505	S	S	.	.	H	α-helix	trans	-65.8	-30.7	176.1	0	0	0	0	0	112	N233 L234 F240	N233-A236 WeakPolarHBondContact O-CB 3.5Å; N233-A236 PolarHBondContact O-N 3.44Å; L234-A236 VanDerWaalsContact C-N 3.29Å; L234-A236 PolarHBondContact O-N 3.47Å; A236-F240 WeakPolarHBondContact O-CB 3.43Å; A236-F240 PolarHBondContact O-N 3.05Å
237	K	40.2	Very low	42.4	Very low	98 Å²	98	104 Å²	104	43%	0.426	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-39.3	176.9	-70.4	-176.8	176.8	174.6	0	112.5	L234 V235	L234-K237 HydrophobicContact CD2-CD 4.42Å; L234-K237 WeakPolarHBondContact O-CB 3.4Å; L234-K237 PolarHBondContact O-N 2.97Å; L234-K237 VanDerWaalsContact O-N 3.13Å; V235-K237 VanDerWaalsContact C-N 3.27Å; V235-K237 PolarHBondContact O-N 3.11Å
238	Q	39.7	Very low	41.4	Very low	161 Å²	161	109.7 Å²	109.7	75%	0.752	55%	0.547	S	S	*	.	H	α-helix	trans	-79.3	-42.6	-176.9	-76.9	-174.9	-1.5	0	0	113	V235 F240	V235-Q238 PolarHBondContact O-N 2.84Å; Q238-F240 VanDerWaalsContact C-N 3.33Å; Q238-F240 PolarHBondContact O-N 2.82Å
239	Y	35.5	Very low	40.6	Very low	175 Å²	175	115.7 Å²	115.7	69%	0.686	58%	0.579	S	S	*	*	H	α-helix	trans	-69.3	-29.6	-179	-89.7	-88.6	0	0	0	113	V235	V235-Y239 HydrophobicContact CG1-CD2 3.69Å; V235-Y239 HydrophobicContact CG1-CE2 3.9Å; V235-Y239 PolarHBondContact O-N 3.3Å
240	F	40.2	Very low	40	Very low	56 Å²	56	118.7 Å²	118.7	25%	0.246	60%	0.595	C	S	.	*	H	α-helix	trans	-88.2	-29.3	-174.3	-125.6	-90.2	0	0	0	114.8	N219 W223 A236 Q238 K242 N243 L244	N219-F240 HydrophobicContact CB-CE1 4.39Å; W223-F240 HydrophobicContact CB-CE1 4.43Å; W223-F240 AromaticContact CD1-CD1 3.85Å; W223-F240 AromaticContact CD1-CG 3.95Å; A236-F240 WeakPolarHBondContact O-CB 3.43Å; A236-F240 PolarHBondContact O-N 3.05Å; Q238-F240 VanDerWaalsContact C-N 3.33Å; Q238-F240 PolarHBondContact O-N 2.82Å; F240-K242 PolarHBondContact O-N 3Å; F240-K242 VanDerWaalsContact O-N 3.1Å; F240-N243 PolarHBondContact O-N 3.36Å; F240-N243 VanDerWaalsContact O-N 3.11Å; F240-L244 HydrophobicContact CD1-CD1 4.42Å; F240-L244 PolarHBondContact O-N 3.43Å
241	N	39.8	Very low	39.6	Very low	88 Å²	88	122 Å²	122	47%	0.471	61%	0.611	S	S	.	*	H	α-helix	trans	-58.2	-25.4	174.6	-95	-7.5	0	0	0	112.6	I185	I185-N241 WeakPolarHBondContact CD1-OD1 3.46Å
242	K	36.7	Very low	39.3	Very low	162 Å²	162	121.2 Å²	121.2	70%	0.704	61%	0.606	S	S	*	*	H	α-helix	trans	-80.6	-32.5	178.5	-147.4	175.8	-176	-179.5	0	113.2	F240	F240-K242 PolarHBondContact O-N 3Å; F240-K242 VanDerWaalsContact O-N 3.1Å
243	N	38.1	Very low	39.6	Very low	86 Å²	86	117 Å²	117	46%	0.46	60%	0.597	S	S	.	*	H	α-helix	trans	-91.5	-9.2	-174.7	-69	-11.3	0	0	0	114.2	F240 L245	F240-N243 PolarHBondContact O-N 3.36Å; F240-N243 VanDerWaalsContact O-N 3.11Å; N243-L245 VanDerWaalsContact C-N 3.27Å
244	L	41.3	Very low	40.2	Very low	58 Å²	58	113.3 Å²	113.3	30%	0.304	58%	0.579	S	S	.	*	H	α-helix	trans	-71.9	-24.4	175	-143.4	97	0	0	0	112.2	N182 F240	N182-L244 VanDerWaalsContact OD1-CD2 3.27Å; N182-L244 WeakPolarHBondContact OD1-CD2 3.14Å; F240-L244 HydrophobicContact CD1-CD1 4.42Å; F240-L244 PolarHBondContact O-N 3.43Å
245	L	38	Very low	41.1	Very low	133 Å²	133	108.5 Å²	108.5	70%	0.696	56%	0.556	S	S	*	*	H	α-helix	trans	-89.2	-27.1	-178	-82.6	134.1	0	0	0	114	N243	N243-L245 VanDerWaalsContact C-N 3.27Å
246	D	37.3	Very low	42.8	Very low	135 Å²	135	107 Å²	107	72%	0.722	54%	0.541	S	S	*	.	H	α-helix	trans	-100.7	-2.9	-169	-86.9	-12.4	0	0	0	115.6	D248	D246-D248 VanDerWaalsContact C-N 3.35Å; D246-D248 PolarHBondContact O-N 3.04Å
247	N	38.7	Very low	44.9	Very low	118 Å²	118	105.6 Å²	105.6	63%	0.631	53%	0.531	S	S	*	.			trans	-100.8	56.5	174.4	-80.6	-33.9	0	0	0	111.6
248	D	38	Very low	46.8	Very low	129 Å²	129	101.3 Å²	101.3	69%	0.69	51%	0.512	S	S	*	.			trans	-58.3	142.9	152.2	-83.1	-33.8	0	0	0	109.8	D246	D246-D248 VanDerWaalsContact C-N 3.35Å; D246-D248 PolarHBondContact O-N 3.04Å
249	N	42.2	Very low	49.1	Very low	146 Å²	146	94.2 Å²	94.2	78%	0.781	48%	0.48	S	S	*	.	S	Bend	trans	82.4	10.4	156	-57.9	-27.7	0	0	0	121.4
250	K	39.9	Very low	51.5	Low	188 Å²	188	86.1 Å²	86.1	82%	0.817	45%	0.448	S	S	*	.			trans	-118.6	81	153.1	-76.3	-174.9	-179.3	175.9	0	109.8	N252	K250-N252 PolarHBondContact O-N 3.34Å
251	I	41.2	Very low	53.7	Low	152 Å²	152	88.4 Å²	88.4	78%	0.779	46%	0.456	S	S	*	.			trans	-59.8	72.2	159.5	-55	163.6	0	0	0	106.6	S253	I251-S253 PolarHBondContact O-N 2.97Å
252	N	44.7	Very low	56.1	Low	119 Å²	119	85.8 Å²	85.8	64%	0.636	44%	0.441	S	S	*	.			trans	-63.1	102.2	153.5	-77.7	-13.4	0	0	0	102.6	K250 S254	K250-N252 PolarHBondContact O-N 3.34Å; N252-S254 PolarHBondContact O-N 3.4Å
253	S	50.5	Low	58.8	Low	92 Å²	92	78.1 Å²	78.1	64%	0.643	41%	0.407	S	S	*	.			trans	-66.9	37.8	-169.1	60.3	0	0	0	0	113.1	I251 C255	I251-S253 PolarHBondContact O-N 2.97Å; S253-C255 PolarHBondContact O-N 3.05Å
254	S	52.6	Low	61.6	Low	23 Å²	23	77.4 Å²	77.4	16%	0.161	40%	0.401	C	S	.	.			trans	-89.5	84.8	172.9	61.5	0	0	0	0	109.6	N252 Y256 F281	N252-S254 PolarHBondContact O-N 3.4Å; S254-Y256 WeakPolarHBondContact O-CD2 3.46Å; S254-Y256 PolarHBondContact O-N 2.93Å; S254-F281 VanDerWaalsContact CA-CZ 3.43Å
255	C	58.8	Low	64.3	Low	31 Å²	31	77.4 Å²	77.4	21%	0.209	40%	0.398	C	S	.	.			trans	-86.3	91.4	175	-69.7	0	0	0	0	111.3	Q215 L216 S253 F281	Q215-C255 HydrophobicContact CB-CB 3.64Å; Q215-C255 HydrophobicContact CG-CB 3.58Å; Q215-C255 VanDerWaalsContact NE2-CB 3.27Å; Q215-C255 PolarHBondContact OE1-SG 2.63Å; L216-C255 CarbonylContact O-C 3.57Å; L216-C255 WeakPolarHBondContact O-CA 3.37Å; S253-C255 PolarHBondContact O-N 3.05Å; C255-F281 VanDerWaalsContact N-CE2 3.31Å; C255-F281 WeakPolarHBondContact O-CD2 3.26Å
256	Y	70.5	Confident	67.1	Low	58 Å²	58	71.1 Å²	71.1	23%	0.227	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-72.1	151.7	175.3	-65.2	-92.3	0	0	0	111.4	Q215 L216 W221 S254 F281	Q215-Y256 WeakPolarHBondContact CA-O 3.32Å; L216-Y256 PolarHBondContact N-O 2.8Å; L216-Y256 PolarHBondContact O-N 3.24Å; W221-Y256 HydrophobicContact CB-CD2 3.6Å; W221-Y256 HydrophobicContact CB-CE2 4.21Å; W221-Y256 HydrophobicContact CB-CG 3.79Å; W221-Y256 AromaticContact CD1-CD1 3.64Å; W221-Y256 AromaticContact CD1-CG 3.46Å; W221-Y256 VanDerWaalsContact CD1-CG 3.46Å; W221-Y256 AromaticContact CD2-CD1 3.72Å; W221-Y256 HydrophobicContact CD2-CD1 3.72Å; W221-Y256 HydrophobicContact CD2-CD2 4.13Å; W221-Y256 AromaticContact CD2-CE1 3.79Å; W221-Y256 HydrophobicContact CD2-CE1 3.79Å; W221-Y256 HydrophobicContact CD2-CE2 4.21Å; W221-Y256 AromaticContact CD2-CG 3.89Å; W221-Y256 HydrophobicContact CD2-CG 3.89Å; W221-Y256 AromaticContact CE2-CD1 3.64Å; W221-Y256 AromaticContact CE2-CE1 3.82Å; W221-Y256 HydrophobicContact CE3-CD1 4.46Å; W221-Y256 HydrophobicContact CE3-CE1 4.08Å; W221-Y256 HydrophobicContact CE3-CE2 4.27Å; W221-Y256 AromaticContact CE3-CZ 3.98Å; W221-Y256 AromaticContact CG-CD1 3.72Å; W221-Y256 HydrophobicContact CG-CD1 3.72Å; W221-Y256 AromaticContact CG-CD2 3.67Å; W221-Y256 HydrophobicContact CG-CD2 3.67Å; W221-Y256 HydrophobicContact CG-CE1 4.22Å; W221-Y256 HydrophobicContact CG-CE2 4.19Å; W221-Y256 AromaticContact CG-CG 3.41Å; W221-Y256 HydrophobicContact CG-CG 3.41Å; W221-Y256 VanDerWaalsContact CG-CG 3.41Å; W221-Y256 HydrophobicContact CH2-CE1 4.41Å; W221-Y256 HydrophobicContact CZ2-CD1 4.32Å; W221-Y256 HydrophobicContact CZ2-CE1 4.14Å; W221-Y256 HydrophobicContact CZ3-CE1 4.38Å; W221-Y256 AromaticContact NE1-CD1 3.57Å; W221-Y256 AromaticContact NE1-CG 3.91Å; S254-Y256 WeakPolarHBondContact O-CD2 3.46Å; S254-Y256 PolarHBondContact O-N 2.93Å; Y256-F281 HydrophobicContact CD1-CB 4.32Å; Y256-F281 HydrophobicContact CD1-CG 4.39Å; Y256-F281 HydrophobicContact CE1-CG 4.46Å
257	G	78.3	Confident	70	Confident	10 Å²	10	65.2 Å²	65.2	10%	0.103	33%	0.333	C	S	.	.			trans	-95.9	-178	174.4	0	0	0	0	0	113.7	L259 G278	G257-L259 VanDerWaalsContact C-N 3.31Å; G257-G278 WeakPolarHBondContact CA-O 3.41Å; G257-G278 PolarHBondContact N-O 3.43Å
258	I	79.9	Confident	72.7	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.036	30%	0.303	C	S	.	.	S	Bend	trans	-84.4	-9.1	175.6	-65	163.9	0	0	0	111.4	I152 P189 L192 V211 I214	I152-I258 HydrophobicContact CD1-CD1 4.14Å; I152-I258 HydrophobicContact CG1-CD1 3.75Å; P189-I258 HydrophobicContact CB-CG2 3.63Å; P189-I258 HydrophobicContact CG-CG2 4.34Å; L192-I258 WeakPolarHBondContact CD2-O 3.35Å; L192-I258 WeakPolarHBondContact CG-O 3.48Å; V211-I258 HydrophobicContact CG1-CB 4.4Å; V211-I258 HydrophobicContact CG1-CD1 3.51Å; V211-I258 HydrophobicContact CG1-CG2 4.23Å; I214-I258 HydrophobicContact CB-CD1 3.68Å; I214-I258 HydrophobicContact CB-CG1 4.49Å; I214-I258 HydrophobicContact CD1-CD1 3.56Å; I214-I258 HydrophobicContact CG1-CD1 4.19Å; I214-I258 HydrophobicContact CG2-CD1 3.84Å; I214-I258 HydrophobicContact CG2-CG1 4.35Å
259	L	87.9	Confident	75.5	Confident	13 Å²	13	55.9 Å²	55.9	7%	0.068	28%	0.281	C	S	.	.	S	Bend	trans	-94	145.6	179.1	-66.9	-178.1	0	0	0	112.1	L191 L200 F212 G257 Y261 I263 L266 L279 M282	L191-L259 HydrophobicContact CD1-CD2 3.57Å; L200-L259 HydrophobicContact CD2-CD2 3.59Å; F212-L259 HydrophobicContact CD1-CD1 4.18Å; F212-L259 HydrophobicContact CE1-CD1 3.87Å; F212-L259 HydrophobicContact CE1-CD2 4.42Å; F212-L259 HydrophobicContact CE1-CG 4.25Å; G257-L259 VanDerWaalsContact C-N 3.31Å; L259-Y261 PolarHBondContact O-N 3.13Å; L259-I263 HydrophobicContact CB-CD1 4Å; L259-I263 HydrophobicContact CD1-CD1 4.4Å; L259-I263 HydrophobicContact CD2-CD1 4.48Å; L259-L266 HydrophobicContact CD1-CD1 4Å; L259-L266 HydrophobicContact CD1-CD2 3.57Å; L259-L266 HydrophobicContact CD1-CG 4.47Å; L259-L279 HydrophobicContact CD1-CD2 4.06Å; L259-M282 HydrophobicContact CB-SD 4.01Å; L259-M282 HydrophobicContact CD1-SD 4.07Å
260	P	87.1	Confident	78.1	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.032	25%	0.252	C	S	.	.			trans	-54.3	135.2	169.7	-27.9	34.2	0	0	0	113.2	L191 I194 L197 K262 I263	L191-P260 WeakPolarHBondContact O-CD 3.27Å; L191-P260 WeakPolarHBondContact O-CG 3.24Å; I194-P260 WeakPolarHBondContact O-CG 3.24Å; L197-P260 HydrophobicContact CB-CG 4.48Å; P260-K262 PolarHBondContact O-N 3.29Å; P260-I263 HydrophobicContact CB-CD1 4.43Å; P260-I263 HydrophobicContact CB-CG1 4.36Å; P260-I263 WeakPolarHBondContact O-CG1 3.3Å; P260-I263 PolarHBondContact O-N 3.25Å
261	Y	85.3	Confident	80.6	Confident	103 Å²	103	40.8 Å²	40.8	40%	0.404	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.5	-177.6	65.8	-92.1	0	0	0	114.4	L259 I263	L259-Y261 PolarHBondContact O-N 3.13Å; Y261-I263 VanDerWaalsContact C-N 3.34Å
262	K	90.2	Very high	83	Confident	34 Å²	34	37.3 Å²	37.3	15%	0.148	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.7	-178.5	-68.3	-167.6	-171.7	158	0	114.3	P195 Q196 L197 P260 E264	P195-K262 WeakPolarHBondContact O-CD 3.37Å; Q196-K262 VanDerWaalsContact CD-NZ 3.28Å; Q196-K262 VanDerWaalsContact NE2-NZ 3.14Å; L197-K262 CarbonylContact O-C 3.42Å; P260-K262 PolarHBondContact O-N 3.29Å; K262-E264 PolarHBondContact O-N 3.14Å
263	I	94.3	Very high	85.2	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.			trans	-60.9	131.8	179.9	-65.8	171.4	0	0	0	110.2	L197 L200 L259 P260 Y261 Y265 L266 R284 L285	L197-I263 HydrophobicContact CD2-CD1 4.45Å; L197-I263 WeakPolarHBondContact O-CA 3.41Å; L197-I263 PolarHBondContact O-N 3.06Å; L200-I263 HydrophobicContact CB-CD1 4.25Å; L200-I263 HydrophobicContact CD2-CD1 3.9Å; L259-I263 HydrophobicContact CB-CD1 4Å; L259-I263 HydrophobicContact CD1-CD1 4.4Å; L259-I263 HydrophobicContact CD2-CD1 4.48Å; P260-I263 HydrophobicContact CB-CD1 4.43Å; P260-I263 HydrophobicContact CB-CG1 4.36Å; P260-I263 WeakPolarHBondContact O-CG1 3.3Å; P260-I263 PolarHBondContact O-N 3.25Å; Y261-I263 VanDerWaalsContact C-N 3.34Å; I263-Y265 VanDerWaalsContact CG2-O 3.25Å; I263-Y265 WeakPolarHBondContact CG2-O 3.21Å; I263-L266 HydrophobicContact CG2-CB 4.03Å; I263-R284 CarbonylContact O-C 3.59Å; I263-L285 HydrophobicContact CG2-CD1 4.06Å; I263-L285 WeakPolarHBondContact O-CA 3.49Å; I263-L285 PolarHBondContact O-N 3.43Å
264	E	96.6	Very high	87	Confident	71 Å²	71	28.3 Å²	28.3	33%	0.332	14%	0.143	S	C	.	.	S	Bend	trans	-107.8	-35.7	178.4	-66.2	171.4	-169.4	0	0	111	R198 K262 R284 N286 I287	R198-E264 PolarHBondContact O-N 3.1Å; K262-E264 PolarHBondContact O-N 3.14Å; E264-R284 HydrophobicContact CG-CB 4.4Å; E264-N286 WeakPolarHBondContact O-CA 3.39Å; E264-N286 WeakPolarHBondContact O-CB 3.45Å; E264-N286 PolarHBondContact O-N 3.1Å; E264-I287 PolarHBondContact O-N 3.45Å
265	Y	98	Very high	88.6	Confident	59 Å²	59	30.3 Å²	30.3	23%	0.231	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.8	176.3	178.7	-79	0	0	0	109.8	R198 F199 L200 I263 N267 I287	R198-Y265 PolarHBondContact O-N 3.47Å; F199-Y265 HydrophobicContact CD1-CD1 4.29Å; F199-Y265 AromaticContact CD2-CD1 3.25Å; F199-Y265 HydrophobicContact CD2-CD1 3.25Å; F199-Y265 HydrophobicContact CD2-CD2 4.24Å; F199-Y265 AromaticContact CD2-CE1 3.9Å; F199-Y265 HydrophobicContact CD2-CE1 3.9Å; F199-Y265 AromaticContact CD2-CG 3.46Å; F199-Y265 HydrophobicContact CD2-CG 3.46Å; F199-Y265 VanDerWaalsContact CD2-CG 3.46Å; F199-Y265 HydrophobicContact CE1-CD1 4.16Å; F199-Y265 HydrophobicContact CE1-CE1 4.15Å; F199-Y265 AromaticContact CE2-CD1 3.1Å; F199-Y265 HydrophobicContact CE2-CD1 3.1Å; F199-Y265 HydrophobicContact CE2-CD2 4.01Å; F199-Y265 AromaticContact CE2-CE1 3.22Å; F199-Y265 HydrophobicContact CE2-CE1 3.22Å; F199-Y265 HydrophobicContact CE2-CE2 4.12Å; F199-Y265 AromaticContact CE2-CG 3.54Å; F199-Y265 HydrophobicContact CE2-CG 3.54Å; F199-Y265 AromaticContact CE2-CZ 3.75Å; F199-Y265 AromaticContact CG-CD1 3.86Å; F199-Y265 HydrophobicContact CG-CD1 3.86Å; F199-Y265 HydrophobicContact CG-CG 4.32Å; F199-Y265 AromaticContact CZ-CD1 3.59Å; F199-Y265 HydrophobicContact CZ-CD1 3.59Å; F199-Y265 AromaticContact CZ-CE1 3.36Å; F199-Y265 HydrophobicContact CZ-CE1 3.36Å; F199-Y265 HydrophobicContact CZ-CG 4.44Å; L200-Y265 PolarHBondContact N-O 3.44Å; I263-Y265 VanDerWaalsContact CG2-O 3.25Å; I263-Y265 WeakPolarHBondContact CG2-O 3.21Å; Y265-N267 HydrophobicContact CE1-CB 3.67Å; Y265-I287 HydrophobicContact CD2-CB 3.71Å; Y265-I287 HydrophobicContact CD2-CD1 3.98Å; Y265-I287 HydrophobicContact CD2-CG1 4.41Å; Y265-I287 HydrophobicContact CD2-CG2 3.63Å; Y265-I287 HydrophobicContact CE2-CB 4.29Å; Y265-I287 HydrophobicContact CE2-CG2 3.68Å; Y265-I287 HydrophobicContact CG-CB 4.49Å
266	L	97.2	Very high	90	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	122.3	175.9	-175.7	59.7	0	0	0	110.5	L200 L259 I263 L268 L279 M282 L285 I287 L288 N289	L200-L266 HydrophobicContact CB-CD1 3.96Å; L200-L266 HydrophobicContact CD2-CD1 3.83Å; L200-L266 HydrophobicContact CG-CD1 3.9Å; L200-L266 WeakPolarHBondContact O-CA 3.31Å; L259-L266 HydrophobicContact CD1-CD1 4Å; L259-L266 HydrophobicContact CD1-CD2 3.57Å; L259-L266 HydrophobicContact CD1-CG 4.47Å; I263-L266 HydrophobicContact CG2-CB 4.03Å; L266-L268 HydrophobicContact CD1-CD2 3.95Å; L266-L268 HydrophobicContact CD1-CG 4.25Å; L266-L268 HydrophobicContact CD2-CD1 3.9Å; L266-L268 HydrophobicContact CD2-CD2 4.48Å; L266-L268 HydrophobicContact CD2-CG 4.13Å; L266-L268 HydrophobicContact CG-CD1 4.23Å; L266-L268 HydrophobicContact CG-CD2 4.15Å; L266-L268 HydrophobicContact CG-CG 3.88Å; L266-L279 HydrophobicContact CD2-CD1 4.29Å; L266-L279 HydrophobicContact CD2-CD2 4.37Å; L266-M282 HydrophobicContact CD2-CE 3.7Å; L266-M282 HydrophobicContact CD2-SD 4.46Å; L266-L285 HydrophobicContact CB-CD1 3.63Å; L266-I287 PolarHBondContact N-O 3.41Å; L266-L288 HydrophobicContact CB-CD1 4.02Å; L266-L288 HydrophobicContact CD2-CD1 3.99Å; L266-L288 HydrophobicContact CG-CD1 4.05Å; L266-L288 WeakPolarHBondContact O-CA 3.45Å; L266-N289 PolarHBondContact O-N 3.45Å
267	N	97.7	Very high	90.5	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.059	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115.8	173	-175.7	4.6	0	0	0	110.6	L200 N201 L202 S203 Y265 Q269 N289	L200-N267 PolarHBondContact O-N 3.31Å; N201-N267 HydrophobicContact CB-CB 4.28Å; N201-N267 WeakPolarHBondContact OD1-CB 3.35Å; N201-N267 PolarHBondContact OD1-ND2 3.02Å; L202-N267 PolarHBondContact N-O 2.93Å; S203-N267 PolarHBondContact N-O 3.35Å; Y265-N267 HydrophobicContact CE1-CB 3.67Å; N267-Q269 VanDerWaalsContact OD1-CB 3.24Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.36Å; N267-Q269 PolarHBondContact OD1-N 3.31Å; N267-N289 HydrophobicContact CB-CB 4.32Å; N267-N289 WeakPolarHBondContact OD1-CB 3.23Å; N267-N289 PolarHBondContact OD1-ND2 3.47Å
268	L	96.2	Very high	90.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.			trans	-121.1	25.1	179.2	-60.3	-178.1	0	0	0	111.3	L202 F212 L266 G270 C271 I273 L279 L288 N289 L290 N293	L202-L268 HydrophobicContact CB-CD2 3.94Å; L202-L268 HydrophobicContact CD1-CD2 4.03Å; F212-L268 HydrophobicContact CD1-CD1 4.1Å; F212-L268 HydrophobicContact CD2-CD1 4.16Å; F212-L268 HydrophobicContact CE1-CD1 4.12Å; F212-L268 HydrophobicContact CE1-CD2 3.8Å; F212-L268 HydrophobicContact CE2-CD1 4.15Å; F212-L268 HydrophobicContact CE2-CD2 3.72Å; F212-L268 HydrophobicContact CE2-CG 4.48Å; F212-L268 HydrophobicContact CG-CD1 4.12Å; F212-L268 HydrophobicContact CZ-CD1 4.14Å; F212-L268 HydrophobicContact CZ-CD2 3.3Å; F212-L268 HydrophobicContact CZ-CG 4.35Å; L266-L268 HydrophobicContact CD1-CD2 3.95Å; L266-L268 HydrophobicContact CD1-CG 4.25Å; L266-L268 HydrophobicContact CD2-CD1 3.9Å; L266-L268 HydrophobicContact CD2-CD2 4.48Å; L266-L268 HydrophobicContact CD2-CG 4.13Å; L266-L268 HydrophobicContact CG-CD1 4.23Å; L266-L268 HydrophobicContact CG-CD2 4.15Å; L266-L268 HydrophobicContact CG-CG 3.88Å; L268-G270 PolarHBondContact O-N 3.37Å; L268-C271 WeakPolarHBondContact O-CB 3.28Å; L268-C271 PolarHBondContact O-N 2.96Å; L268-C271 PolarHBondContact O-SG 3.44Å; L268-C271 VanDerWaalsContact O-SG 3.38Å; L268-I273 HydrophobicContact CB-CD1 3.72Å; L268-I273 HydrophobicContact CD1-CD1 3.74Å; L268-I273 HydrophobicContact CG-CD1 4.24Å; L268-L279 HydrophobicContact CD1-CD1 4.36Å; L268-L288 HydrophobicContact CD1-CD1 4.46Å; L268-N289 CarbonylContact C-O 3.52Å; L268-N289 WeakPolarHBondContact CA-O 3.49Å; L268-N289 PolarHBondContact N-O 3.45Å; L268-L290 HydrophobicContact CB-CD2 3.96Å; L268-L290 HydrophobicContact CD1-CD2 4.08Å; L268-N293 PolarHBondContact O-ND2 3.48Å
269	Q	97.3	Very high	91	Very high	51 Å²	51	27.8 Å²	27.8	24%	0.238	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	137.1	178.2	171.8	180	-17.2	0	0	110.9	S203 S204 N267 C271 N289 S291 Q292	S203-Q269 CarbonylContact C-O 3.18Å; S203-Q269 WeakPolarHBondContact CA-O 3.18Å; S203-Q269 WeakPolarHBondContact CB-O 3.5Å; S204-Q269 PolarHBondContact N-O 3.25Å; N267-Q269 VanDerWaalsContact OD1-CB 3.24Å; N267-Q269 WeakPolarHBondContact OD1-CB 3.36Å; N267-Q269 PolarHBondContact OD1-N 3.31Å; Q269-C271 VanDerWaalsContact C-N 3.28Å; Q269-C271 PolarHBondContact O-N 3.42Å; Q269-N289 PolarHBondContact N-O 3.14Å; Q269-N289 PolarHBondContact OE1-ND2 3.32Å; Q269-S291 CarbonylContact C-O 3.48Å; Q269-S291 WeakPolarHBondContact CA-O 3.2Å; Q269-S291 WeakPolarHBondContact CG-O 3.27Å; Q269-S291 VanDerWaalsContact CG-OG 3.27Å; Q269-S291 WeakPolarHBondContact CG-OG 3.42Å; Q269-S291 PolarHBondContact OE1-OG 3.38Å; Q269-Q292 HydrophobicContact CG-CB 4.26Å; Q269-Q292 HydrophobicContact CG-CG 4.47Å
270	G	95.3	Very high	90.8	Very high	17 Å²	17	28.5 Å²	28.5	18%	0.175	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	26.5	173.5	0	0	0	0	0	114.7	L268 S291 Q292	L268-G270 PolarHBondContact O-N 3.37Å; G270-S291 PolarHBondContact N-O 3.36Å; G270-Q292 VanDerWaalsContact CA-O 3.24Å; G270-Q292 WeakPolarHBondContact CA-O 3.32Å; G270-Q292 PolarHBondContact N-O 2.85Å
271	C	93.4	Very high	90.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-95	5	180	-68.3	0	0	0	0	113.6	L202 S209 L268 Q269 I273 N293	L202-C271 PolarHBondContact O-SG 3.14Å; S209-C271 WeakPolarHBondContact CA-O 3.12Å; S209-C271 PolarHBondContact N-O 3.48Å; L268-C271 WeakPolarHBondContact O-CB 3.28Å; L268-C271 PolarHBondContact O-N 2.96Å; L268-C271 PolarHBondContact O-SG 3.44Å; L268-C271 VanDerWaalsContact O-SG 3.38Å; Q269-C271 VanDerWaalsContact C-N 3.28Å; Q269-C271 PolarHBondContact O-N 3.42Å; C271-I273 VanDerWaalsContact C-N 3.28Å; C271-I273 HydrophobicContact CB-CD1 3.65Å; C271-I273 HydrophobicContact CB-CG1 3.7Å; C271-I273 PolarHBondContact O-N 3.22Å; C271-N293 PolarHBondContact N-OD1 3.38Å
272	N	91.1	Very high	90.5	Very high	80 Å²	80	26.3 Å²	26.3	43%	0.428	13%	0.133	S	C	.	.			trans	58.2	36.1	-178.1	-163.9	37.2	0	0	0	113.6	P206 S209 N293 Q294	P206-N272 HydrophobicContact CB-CB 4.34Å; P206-N272 WeakPolarHBondContact O-CB 3.36Å; S209-N272 WeakPolarHBondContact CB-O 3.12Å; N272-N293 PolarHBondContact N-OD1 3.47Å; N272-Q294 WeakPolarHBondContact OD1-CG 3.38Å
273	I	90.8	Very high	90.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.			trans	-82.6	136.7	-175.1	-59.9	168.2	0	0	0	110.6	F212 L268 C271 F275 I276 L290 N293 Q294 I295	F212-I273 HydrophobicContact CD2-CD1 3.45Å; F212-I273 VanDerWaalsContact CD2-CD1 3.45Å; F212-I273 HydrophobicContact CD2-CG1 3.94Å; F212-I273 HydrophobicContact CE2-CD1 3.84Å; F212-I273 HydrophobicContact CE2-CG1 4.48Å; F212-I273 HydrophobicContact CG-CD1 4.29Å; L268-I273 HydrophobicContact CB-CD1 3.72Å; L268-I273 HydrophobicContact CD1-CD1 3.74Å; L268-I273 HydrophobicContact CG-CD1 4.24Å; C271-I273 VanDerWaalsContact C-N 3.28Å; C271-I273 HydrophobicContact CB-CD1 3.65Å; C271-I273 HydrophobicContact CB-CG1 3.7Å; C271-I273 PolarHBondContact O-N 3.22Å; I273-F275 WeakPolarHBondContact CG2-O 3.22Å; I273-I276 HydrophobicContact CG2-CG2 3.6Å; I273-L290 HydrophobicContact CD1-CD2 4.08Å; I273-N293 HydrophobicContact CB-CB 4.32Å; I273-N293 PolarHBondContact N-OD1 3.08Å; I273-N293 WeakPolarHBondContact O-CB 3.34Å; I273-Q294 CarbonylContact O-C 3.6Å; I273-Q294 VanDerWaalsContact O-C 3.3Å; I273-Q294 WeakPolarHBondContact O-CA 3.32Å; I273-Q294 PolarHBondContact O-N 2.59Å; I273-I295 PolarHBondContact O-N 3.07Å
274	S	87.8	Confident	90.1	Very high	22 Å²	22	36.9 Å²	36.9	15%	0.154	18%	0.176	C	C	.	.	S	Bend	trans	-108.7	-37.9	172.1	52.2	0	0	0	0	112.7	N171	N171-S274 PolarHBondContact OD1-OG 3.14Å
275	F	86.6	Confident	90	Very high	64 Å²	64	33.5 Å²	33.5	28%	0.281	16%	0.16	S	C	.	.			trans	-133.4	144.8	-179	-61.7	-90.2	0	0	0	111.5	N171 I273	N171-F275 WeakPolarHBondContact ND2-CD2 3.3Å; N171-F275 VanDerWaalsContact ND2-CE2 3.32Å; N171-F275 WeakPolarHBondContact ND2-CE2 3.2Å; I273-F275 WeakPolarHBondContact CG2-O 3.22Å
276	I	87.4	Confident	89.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.			trans	-124.4	38.3	-175.1	50.3	156.9	0	0	0	113.4	F212 I273 G278 L279 L290 G300 L301 P303 L304	F212-I276 CarbonylContact O-C 3.57Å; I273-I276 HydrophobicContact CG2-CG2 3.6Å; I276-G278 PolarHBondContact O-N 3.41Å; I276-G278 VanDerWaalsContact O-N 3.13Å; I276-L279 HydrophobicContact CB-CD1 3.98Å; I276-L279 HydrophobicContact CB-CG 4.05Å; I276-L279 HydrophobicContact CD1-CD1 4.32Å; I276-L279 HydrophobicContact CG2-CD1 4.14Å; I276-L279 WeakPolarHBondContact O-CB 3.39Å; I276-L279 PolarHBondContact O-N 2.9Å; I276-L290 HydrophobicContact CD1-CD1 4.07Å; I276-L290 HydrophobicContact CG2-CD1 4.48Å; I276-L290 HydrophobicContact CG2-CD2 4.13Å; I276-G300 WeakPolarHBondContact CG1-O 3.25Å; I276-G300 PolarHBondContact N-O 2.86Å; I276-L301 HydrophobicContact CD1-CD2 3.99Å; I276-P303 WeakPolarHBondContact O-CB 3.5Å; I276-L304 HydrophobicContact CD1-CD1 3.67Å; I276-L304 HydrophobicContact CD1-CD2 3.5Å; I276-L304 HydrophobicContact CD1-CG 3.42Å; I276-L304 VanDerWaalsContact CD1-CG 3.42Å
277	N	82.6	Confident	89.9	Confident	46 Å²	46	36.1 Å²	36.1	25%	0.246	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-58.1	-26.6	-175.8	-72.7	-29.5	0	0	0	114.7	F212 N213 Q215 L279 T280 P303	F212-N277 PolarHBondContact O-N 3.12Å; N213-N277 WeakPolarHBondContact OD1-CB 3.42Å; N213-N277 PolarHBondContact OD1-ND2 3.25Å; Q215-N277 HydrophobicContact CG-CB 3.95Å; Q215-N277 PolarHBondContact NE2-O 2.82Å; N277-L279 VanDerWaalsContact C-N 3.27Å; N277-L279 PolarHBondContact O-N 2.98Å; N277-T280 PolarHBondContact O-OG1 2.88Å; N277-P303 HydrophobicContact CB-CG 4.43Å; N277-P303 VanDerWaalsContact OD1-CG 3.25Å; N277-P303 WeakPolarHBondContact OD1-CG 3.3Å
278	G	80.2	Confident	89.8	Confident	4 Å²	4	35.6 Å²	35.6	4%	0.041	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-74.4	-8.5	176.5	0	0	0	0	0	114.9	F212 I214 G257 I276	F212-G278 WeakPolarHBondContact O-CA 3.23Å; F212-G278 PolarHBondContact O-N 3.25Å; I214-G278 VanDerWaalsContact O-CA 3.31Å; I214-G278 WeakPolarHBondContact O-CA 3.44Å; G257-G278 WeakPolarHBondContact CA-O 3.41Å; G257-G278 PolarHBondContact N-O 3.43Å; I276-G278 PolarHBondContact O-N 3.41Å; I276-G278 VanDerWaalsContact O-N 3.13Å
279	L	87.9	Confident	89.9	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-89	-1.7	-176	-58.2	-164.1	0	0	0	114.3	F212 L259 L266 L268 I276 N277 F281 M282 L288	F212-L279 HydrophobicContact CD1-CD2 4.31Å; L259-L279 HydrophobicContact CD1-CD2 4.06Å; L266-L279 HydrophobicContact CD2-CD1 4.29Å; L266-L279 HydrophobicContact CD2-CD2 4.37Å; L268-L279 HydrophobicContact CD1-CD1 4.36Å; I276-L279 HydrophobicContact CB-CD1 3.98Å; I276-L279 HydrophobicContact CB-CG 4.05Å; I276-L279 HydrophobicContact CD1-CD1 4.32Å; I276-L279 HydrophobicContact CG2-CD1 4.14Å; I276-L279 WeakPolarHBondContact O-CB 3.39Å; I276-L279 PolarHBondContact O-N 2.9Å; N277-L279 VanDerWaalsContact C-N 3.27Å; N277-L279 PolarHBondContact O-N 2.98Å; L279-F281 VanDerWaalsContact C-N 3.26Å; L279-F281 PolarHBondContact O-N 3.13Å; L279-M282 HydrophobicContact CB-CE 3.84Å; L279-M282 HydrophobicContact CD1-CE 3.96Å; L279-M282 HydrophobicContact CD2-CE 3.54Å; L279-M282 HydrophobicContact CD2-SD 3.98Å; L279-M282 HydrophobicContact CG-CE 3.95Å; L279-M282 PolarHBondContact O-N 3.11Å; L279-L288 HydrophobicContact CD1-CD1 4.44Å; L279-L288 HydrophobicContact CD1-CD2 4.24Å
280	T	83.8	Confident	89.8	Confident	29 Å²	29	34 Å²	34	18%	0.178	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31	-169.6	-50.6	0	0	0	0	115.3	N277 S306	N277-T280 PolarHBondContact O-OG1 2.88Å; T280-S306 PolarHBondContact O-OG 3.42Å
281	F	79.6	Confident	89.9	Confident	57 Å²	57	33.5 Å²	33.5	25%	0.25	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	8.1	-173.6	-74.2	-83.5	0	0	0	115.3	S254 C255 Y256 L279 K283	S254-F281 VanDerWaalsContact CA-CZ 3.43Å; C255-F281 VanDerWaalsContact N-CE2 3.31Å; C255-F281 WeakPolarHBondContact O-CD2 3.26Å; Y256-F281 HydrophobicContact CD1-CB 4.32Å; Y256-F281 HydrophobicContact CD1-CG 4.39Å; Y256-F281 HydrophobicContact CE1-CG 4.46Å; L279-F281 VanDerWaalsContact C-N 3.26Å; L279-F281 PolarHBondContact O-N 3.13Å; F281-K283 PolarHBondContact O-N 2.92Å
282	M	86.5	Confident	90	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.025	18%	0.182	C	C	.	.			trans	-78.2	63.2	179.1	-58.5	-164.6	-47.8	0	0	111.5	L259 L266 L279 R284 L285 L307	L259-M282 HydrophobicContact CB-SD 4.01Å; L259-M282 HydrophobicContact CD1-SD 4.07Å; L266-M282 HydrophobicContact CD2-CE 3.7Å; L266-M282 HydrophobicContact CD2-SD 4.46Å; L279-M282 HydrophobicContact CB-CE 3.84Å; L279-M282 HydrophobicContact CD1-CE 3.96Å; L279-M282 HydrophobicContact CD2-CE 3.54Å; L279-M282 HydrophobicContact CD2-SD 3.98Å; L279-M282 HydrophobicContact CG-CE 3.95Å; L279-M282 PolarHBondContact O-N 3.11Å; M282-R284 PolarHBondContact O-N 3.41Å; M282-L285 HydrophobicContact CB-CB 4.04Å; M282-L285 HydrophobicContact CE-CB 4.46Å; M282-L285 HydrophobicContact CE-CD1 4.09Å; M282-L285 HydrophobicContact CE-CD2 3.55Å; M282-L285 HydrophobicContact CE-CG 4.24Å; M282-L285 WeakPolarHBondContact O-CB 3.14Å; M282-L285 PolarHBondContact O-N 3.41Å; M282-L307 HydrophobicContact CB-CD2 4.39Å; M282-L307 WeakPolarHBondContact O-CD2 3.44Å
283	K	84.8	Confident	90.3	Very high	132 Å²	132	34 Å²	34	57%	0.574	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.2	-172.7	-68.1	-175.9	178.1	-178.8	0	114.6	F281 C309	F281-K283 PolarHBondContact O-N 2.92Å; K283-C309 WeakPolarHBondContact O-CB 3.34Å; K283-C309 PolarHBondContact O-SG 3.07Å
284	R	91	Very high	90.4	Very high	124 Å²	124	38.4 Å²	38.4	47%	0.468	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-8.3	177.1	-71.5	-172.5	148.9	-171.6	-4.7	114.1	I263 E264 M282 N286	I263-R284 CarbonylContact O-C 3.59Å; E264-R284 HydrophobicContact CG-CB 4.4Å; M282-R284 PolarHBondContact O-N 3.41Å; R284-N286 PolarHBondContact O-N 3.41Å
285	L	94.1	Very high	90.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.			trans	-62.4	120.9	-177.8	-169.3	71.3	0	0	0	109.9	I263 L266 M282 L288 L307 C309 L310	I263-L285 HydrophobicContact CG2-CD1 4.06Å; I263-L285 WeakPolarHBondContact O-CA 3.49Å; I263-L285 PolarHBondContact O-N 3.43Å; L266-L285 HydrophobicContact CB-CD1 3.63Å; M282-L285 HydrophobicContact CB-CB 4.04Å; M282-L285 HydrophobicContact CE-CB 4.46Å; M282-L285 HydrophobicContact CE-CD1 4.09Å; M282-L285 HydrophobicContact CE-CD2 3.55Å; M282-L285 HydrophobicContact CE-CG 4.24Å; M282-L285 WeakPolarHBondContact O-CB 3.14Å; M282-L285 PolarHBondContact O-N 3.41Å; L285-L288 HydrophobicContact CD2-CB 3.97Å; L285-L288 HydrophobicContact CD2-CD1 4.36Å; L285-L288 HydrophobicContact CD2-CD2 3.99Å; L285-L288 HydrophobicContact CD2-CG 4.34Å; L285-L307 HydrophobicContact CB-CD1 4.44Å; L285-L307 HydrophobicContact CD2-CD1 3.8Å; L285-C309 CarbonylContact O-C 3.45Å; L285-L310 HydrophobicContact CD2-CD1 4.16Å; L285-L310 HydrophobicContact CG-CD1 4.27Å; L285-L310 VanDerWaalsContact O-CA 3.28Å; L285-L310 WeakPolarHBondContact O-CA 3.32Å; L285-L310 PolarHBondContact O-N 2.81Å; L285-L310 VanDerWaalsContact O-N 3.15Å
286	N	95.5	Very high	90.8	Very high	60 Å²	60	39.6 Å²	39.6	32%	0.321	19%	0.188	S	C	.	.			trans	-109.6	-41.8	-176.5	-176.1	12.6	0	0	0	111.1	E264 R284 C309 H311 N312	E264-N286 WeakPolarHBondContact O-CA 3.39Å; E264-N286 WeakPolarHBondContact O-CB 3.45Å; E264-N286 PolarHBondContact O-N 3.1Å; R284-N286 PolarHBondContact O-N 3.41Å; N286-C309 WeakPolarHBondContact CA-O 3.49Å; N286-H311 PolarHBondContact O-N 2.77Å; N286-H311 WeakPolarHBondContact OD1-CB 3.21Å; N286-H311 PolarHBondContact OD1-ND1 2.98Å; N286-N312 PolarHBondContact O-N 3.3Å
287	I	97.1	Very high	90.8	Very high	53 Å²	53	41.4 Å²	41.4	27%	0.272	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.9	-177.9	-55.5	173.1	0	0	0	108.9	E264 Y265 L266 N312	E264-I287 PolarHBondContact O-N 3.45Å; Y265-I287 HydrophobicContact CD2-CB 3.71Å; Y265-I287 HydrophobicContact CD2-CD1 3.98Å; Y265-I287 HydrophobicContact CD2-CG1 4.41Å; Y265-I287 HydrophobicContact CD2-CG2 3.63Å; Y265-I287 HydrophobicContact CE2-CB 4.29Å; Y265-I287 HydrophobicContact CE2-CG2 3.68Å; Y265-I287 HydrophobicContact CG-CB 4.49Å; L266-I287 PolarHBondContact N-O 3.41Å; I287-N312 WeakPolarHBondContact CA-O 3.38Å; I287-N312 HydrophobicContact CB-CB 4.35Å; I287-N312 HydrophobicContact CG1-CB 4Å; I287-N312 HydrophobicContact CG2-CB 4.18Å
288	L	96.7	Very high	90.8	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.5	176.1	179.6	57.3	0	0	0	110.1	L266 L268 L279 L285 L290 L304 L310 N312 L313 N314	L266-L288 HydrophobicContact CB-CD1 4.02Å; L266-L288 HydrophobicContact CD2-CD1 3.99Å; L266-L288 HydrophobicContact CG-CD1 4.05Å; L266-L288 WeakPolarHBondContact O-CA 3.45Å; L268-L288 HydrophobicContact CD1-CD1 4.46Å; L279-L288 HydrophobicContact CD1-CD1 4.44Å; L279-L288 HydrophobicContact CD1-CD2 4.24Å; L285-L288 HydrophobicContact CD2-CB 3.97Å; L285-L288 HydrophobicContact CD2-CD1 4.36Å; L285-L288 HydrophobicContact CD2-CD2 3.99Å; L285-L288 HydrophobicContact CD2-CG 4.34Å; L288-L290 HydrophobicContact CD1-CD1 4.49Å; L288-L290 HydrophobicContact CD1-CG 4.12Å; L288-L290 HydrophobicContact CD2-CD1 3.65Å; L288-L290 HydrophobicContact CD2-CG 4.16Å; L288-L290 HydrophobicContact CG-CD1 3.95Å; L288-L290 HydrophobicContact CG-CG 3.92Å; L288-L304 HydrophobicContact CD2-CD1 4.04Å; L288-L304 HydrophobicContact CD2-CD2 3.61Å; L288-L310 HydrophobicContact CB-CD1 3.82Å; L288-N312 PolarHBondContact N-O 3Å; L288-L313 HydrophobicContact CB-CD1 4.09Å; L288-L313 HydrophobicContact CD2-CD1 4.02Å; L288-L313 HydrophobicContact CG-CD1 4.02Å; L288-L313 WeakPolarHBondContact O-CA 3.4Å; L288-N314 PolarHBondContact O-N 3.22Å
289	N	97.5	Very high	91.1	Very high	18 Å²	18	47.5 Å²	47.5	10%	0.096	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	114.6	171.3	-175.8	3.9	0	0	0	109.7	L266 N267 L268 Q269 S291 N314	L266-N289 PolarHBondContact O-N 3.45Å; N267-N289 HydrophobicContact CB-CB 4.32Å; N267-N289 WeakPolarHBondContact OD1-CB 3.23Å; N267-N289 PolarHBondContact OD1-ND2 3.47Å; L268-N289 CarbonylContact C-O 3.52Å; L268-N289 WeakPolarHBondContact CA-O 3.49Å; L268-N289 PolarHBondContact N-O 3.45Å; Q269-N289 PolarHBondContact N-O 3.14Å; Q269-N289 PolarHBondContact OE1-ND2 3.32Å; N289-S291 VanDerWaalsContact OD1-CB 3.32Å; N289-S291 WeakPolarHBondContact OD1-CB 3.3Å; N289-S291 PolarHBondContact OD1-N 3.36Å; N289-S291 PolarHBondContact OD1-OG 3.29Å; N289-N314 HydrophobicContact CB-CB 4.49Å
290	L	96.4	Very high	90.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.223	C	C	.	.			trans	-118.5	17.8	176.6	-77.9	168.3	0	0	0	111.4	L268 I273 I276 L288 N293 I295 L301 L313 N314 L315 N318	L268-L290 HydrophobicContact CB-CD2 3.96Å; L268-L290 HydrophobicContact CD1-CD2 4.08Å; I273-L290 HydrophobicContact CD1-CD2 4.08Å; I276-L290 HydrophobicContact CD1-CD1 4.07Å; I276-L290 HydrophobicContact CG2-CD1 4.48Å; I276-L290 HydrophobicContact CG2-CD2 4.13Å; L288-L290 HydrophobicContact CD1-CD1 4.49Å; L288-L290 HydrophobicContact CD1-CG 4.12Å; L288-L290 HydrophobicContact CD2-CD1 3.65Å; L288-L290 HydrophobicContact CD2-CG 4.16Å; L288-L290 HydrophobicContact CG-CD1 3.95Å; L288-L290 HydrophobicContact CG-CG 3.92Å; L290-N293 VanDerWaalsContact C-ND2 3.27Å; L290-N293 WeakPolarHBondContact CA-ND2 3.39Å; L290-N293 WeakPolarHBondContact O-CB 3.37Å; L290-N293 PolarHBondContact O-ND2 3.15Å; L290-I295 HydrophobicContact CB-CD1 4.23Å; L290-I295 HydrophobicContact CD1-CD1 4.03Å; L290-I295 HydrophobicContact CD2-CD1 4.45Å; L290-I295 HydrophobicContact CG-CD1 4.49Å; L290-L301 HydrophobicContact CD1-CD2 4.18Å; L290-L313 HydrophobicContact CD1-CD1 4.18Å; L290-N314 CarbonylContact C-O 3.56Å; L290-N314 VanDerWaalsContact C-O 3.28Å; L290-N314 VanDerWaalsContact CA-O 3.28Å; L290-N314 WeakPolarHBondContact CA-O 3.37Å; L290-N314 WeakPolarHBondContact CB-O 3.44Å; L290-N314 PolarHBondContact N-O 3.02Å; L290-L315 HydrophobicContact CB-CD2 3.81Å; L290-L315 HydrophobicContact CD1-CD2 4.13Å; L290-N318 PolarHBondContact O-ND2 2.92Å
291	S	97.1	Very high	91.1	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	22%	0.216	C	C	.	.			trans	-60.6	155.4	178.4	59.9	0	0	0	0	112.6	Q269 G270 N289 N293 N314 K316	Q269-S291 CarbonylContact C-O 3.48Å; Q269-S291 WeakPolarHBondContact CA-O 3.2Å; Q269-S291 WeakPolarHBondContact CG-O 3.27Å; Q269-S291 VanDerWaalsContact CG-OG 3.27Å; Q269-S291 WeakPolarHBondContact CG-OG 3.42Å; Q269-S291 PolarHBondContact OE1-OG 3.38Å; G270-S291 PolarHBondContact N-O 3.36Å; N289-S291 VanDerWaalsContact OD1-CB 3.32Å; N289-S291 WeakPolarHBondContact OD1-CB 3.3Å; N289-S291 PolarHBondContact OD1-N 3.36Å; N289-S291 PolarHBondContact OD1-OG 3.29Å; S291-N293 VanDerWaalsContact C-N 3.3Å; S291-N293 PolarHBondContact O-N 2.86Å; S291-N293 PolarHBondContact O-ND2 3.12Å; S291-N314 PolarHBondContact N-O 3.3Å; S291-K316 CarbonylContact C-O 3.59Å; S291-K316 WeakPolarHBondContact CA-O 3.26Å; S291-K316 WeakPolarHBondContact CB-O 3.32Å
292	Q	96.2	Very high	91.3	Very high	89 Å²	89	47.6 Å²	47.6	42%	0.416	22%	0.224	S	C	.	.	S	Bend	trans	56.3	41.4	179.3	-58	174.3	-17.5	0	0	113.2	Q269 G270 K316 N317	Q269-Q292 HydrophobicContact CG-CB 4.26Å; Q269-Q292 HydrophobicContact CG-CG 4.47Å; G270-Q292 VanDerWaalsContact CA-O 3.24Å; G270-Q292 WeakPolarHBondContact CA-O 3.32Å; G270-Q292 PolarHBondContact N-O 2.85Å; Q292-K316 PolarHBondContact N-O 3.41Å; Q292-N317 WeakPolarHBondContact CA-O 3.26Å; Q292-N317 HydrophobicContact CG-CB 3.89Å
293	N	95.7	Very high	91.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-114.6	-172.3	173.7	-78.4	-55.5	0	0	0	110.2	L268 C271 N272 I273 L290 S291 I295 N318	L268-N293 PolarHBondContact O-ND2 3.48Å; C271-N293 PolarHBondContact N-OD1 3.38Å; N272-N293 PolarHBondContact N-OD1 3.47Å; I273-N293 HydrophobicContact CB-CB 4.32Å; I273-N293 PolarHBondContact N-OD1 3.08Å; I273-N293 WeakPolarHBondContact O-CB 3.34Å; L290-N293 VanDerWaalsContact C-ND2 3.27Å; L290-N293 WeakPolarHBondContact CA-ND2 3.39Å; L290-N293 WeakPolarHBondContact O-CB 3.37Å; L290-N293 PolarHBondContact O-ND2 3.15Å; S291-N293 VanDerWaalsContact C-N 3.3Å; S291-N293 PolarHBondContact O-N 2.86Å; S291-N293 PolarHBondContact O-ND2 3.12Å; N293-I295 HydrophobicContact CB-CG1 4.44Å; N293-N318 VanDerWaalsContact CA-OD1 3.27Å; N293-N318 WeakPolarHBondContact CA-OD1 3.48Å; N293-N318 WeakPolarHBondContact CB-OD1 3.31Å; N293-N318 PolarHBondContact N-OD1 3.33Å; N293-N318 PolarHBondContact O-OD1 3.25Å; N293-N318 VanDerWaalsContact O-OD1 3.07Å
294	Q	93.1	Very high	91.4	Very high	93 Å²	93	41.7 Å²	41.7	44%	0.435	20%	0.2	S	C	.	.			trans	-114.9	39.8	-176	-60.7	-58	-42.9	0	0	111.5	N272 I273 I296 N318	N272-Q294 WeakPolarHBondContact OD1-CG 3.38Å; I273-Q294 CarbonylContact O-C 3.6Å; I273-Q294 VanDerWaalsContact O-C 3.3Å; I273-Q294 WeakPolarHBondContact O-CA 3.32Å; I273-Q294 PolarHBondContact O-N 2.59Å; Q294-I296 PolarHBondContact O-N 2.97Å; Q294-N318 PolarHBondContact N-OD1 3.26Å
295	I	93	Very high	91.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.204	C	C	.	.			trans	-77.5	113.5	177.2	-58	174.2	0	0	0	108.4	I273 L290 N293 D297 L301 L315 N318 P319 I320	I273-I295 PolarHBondContact O-N 3.07Å; L290-I295 HydrophobicContact CB-CD1 4.23Å; L290-I295 HydrophobicContact CD1-CD1 4.03Å; L290-I295 HydrophobicContact CD2-CD1 4.45Å; L290-I295 HydrophobicContact CG-CD1 4.49Å; N293-I295 HydrophobicContact CB-CG1 4.44Å; I295-D297 WeakPolarHBondContact CG2-O 3.19Å; I295-L301 HydrophobicContact CD1-CD2 3.85Å; I295-L301 HydrophobicContact CG2-CD1 4.38Å; I295-L301 HydrophobicContact CG2-CD2 4.28Å; I295-L301 HydrophobicContact CG2-CG 4.05Å; I295-L315 HydrophobicContact CD1-CD2 3.86Å; I295-N318 HydrophobicContact CB-CB 4.28Å; I295-N318 WeakPolarHBondContact CB-OD1 3.39Å; I295-N318 WeakPolarHBondContact CG1-OD1 3.44Å; I295-N318 PolarHBondContact N-OD1 3.29Å; I295-P319 VanDerWaalsContact O-CD 3.31Å; I295-P319 WeakPolarHBondContact O-CD 3.38Å; I295-I320 HydrophobicContact CG2-CD1 4.49Å; I295-I320 HydrophobicContact CG2-CG2 4.48Å; I295-I320 WeakPolarHBondContact O-CB 3.43Å; I295-I320 PolarHBondContact O-N 2.92Å
296	I	89.7	Confident	90.7	Very high	110 Å²	110	44.7 Å²	44.7	56%	0.564	22%	0.224	S	C	*	.			trans	-88.8	-38.2	-173.9	-59.2	167.2	0	0	0	111.5	Q294 P319 Q323	Q294-I296 PolarHBondContact O-N 2.97Å; I296-P319 HydrophobicContact CG1-CB 4.46Å; I296-P319 HydrophobicContact CG1-CG 4.45Å; I296-Q323 PolarHBondContact O-NE2 3.04Å
297	D	87.8	Confident	90.4	Very high	39 Å²	39	42.1 Å²	42.1	21%	0.209	21%	0.21	C	C	.	.	S	Bend	trans	-141.2	173.7	-173.6	73.8	1.5	0	0	0	113.3	I295 Q299 G300 I320	I295-D297 WeakPolarHBondContact CG2-O 3.19Å; D297-Q299 PolarHBondContact O-N 3.02Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.34Å; D297-Q299 PolarHBondContact OD1-N 2.85Å; D297-Q299 VanDerWaalsContact OD1-N 3.14Å; D297-Q299 WeakPolarHBondContact OD2-CG 3.35Å; D297-G300 PolarHBondContact OD1-N 3.21Å; D297-I320 VanDerWaalsContact C-CD1 3.46Å
298	H	83.9	Confident	89.8	Confident	55 Å²	55	42.7 Å²	42.7	26%	0.255	22%	0.219	S	C	.	.	S	Bend	trans	-71	-17.1	179.5	69.9	-74.6	0	0	0	113.1	G300 L301 M302 R329 H333	H298-G300 VanDerWaalsContact C-N 3.31Å; H298-L301 PolarHBondContact O-N 3.36Å; H298-L301 VanDerWaalsContact O-N 3.07Å; H298-M302 PolarHBondContact O-N 3.45Å; H298-R329 HydrophobicContact CB-CG 4.19Å; H298-H333 AromaticContact CD2-CD2 3.8Å; H298-H333 AromaticContact CD2-CE1 3.95Å; H298-H333 AromaticContact CD2-NE2 3.31Å; H298-H333 PolarHBondContact CD2-NE2 3.31Å; H298-H333 VanDerWaalsContact CD2-NE2 3.31Å; H298-H333 AromaticContact CG-NE2 3.98Å; H298-H333 AromaticContact NE2-NE2 3.87Å
299	Q	85.4	Confident	89.5	Confident	122 Å²	122	45.1 Å²	45.1	57%	0.57	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-65.4	-40.1	178.6	-61.2	-174.6	-9	0	0	110.3	D297 L301 M302	D297-Q299 PolarHBondContact O-N 3.02Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.34Å; D297-Q299 PolarHBondContact OD1-N 2.85Å; D297-Q299 VanDerWaalsContact OD1-N 3.14Å; D297-Q299 WeakPolarHBondContact OD2-CG 3.35Å; Q299-L301 PolarHBondContact O-N 3.48Å; Q299-L301 VanDerWaalsContact O-N 3.09Å; Q299-M302 WeakPolarHBondContact O-CB 3.48Å; Q299-M302 PolarHBondContact O-N 2.95Å; Q299-M302 VanDerWaalsContact O-N 3.1Å
300	G	83.3	Confident	89.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-55.5	-25.7	172.2	0	0	0	0	0	114.1	I276 D297 H298	I276-G300 WeakPolarHBondContact CG1-O 3.25Å; I276-G300 PolarHBondContact N-O 2.86Å; D297-G300 PolarHBondContact OD1-N 3.21Å; H298-G300 VanDerWaalsContact C-N 3.31Å
301	L	87.9	Confident	89.2	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-99.7	-4.8	-178.1	-61	173.5	0	0	0	114.1	I276 L290 I295 H298 Q299 P303 L304 L315 I320 I330	I276-L301 HydrophobicContact CD1-CD2 3.99Å; L290-L301 HydrophobicContact CD1-CD2 4.18Å; I295-L301 HydrophobicContact CD1-CD2 3.85Å; I295-L301 HydrophobicContact CG2-CD1 4.38Å; I295-L301 HydrophobicContact CG2-CD2 4.28Å; I295-L301 HydrophobicContact CG2-CG 4.05Å; H298-L301 PolarHBondContact O-N 3.36Å; H298-L301 VanDerWaalsContact O-N 3.07Å; Q299-L301 PolarHBondContact O-N 3.48Å; Q299-L301 VanDerWaalsContact O-N 3.09Å; L301-P303 VanDerWaalsContact C-N 3.27Å; L301-L304 HydrophobicContact CB-CD1 4.4Å; L301-L304 HydrophobicContact CD2-CD1 3.87Å; L301-L304 VanDerWaalsContact O-CB 3.3Å; L301-L304 WeakPolarHBondContact O-CB 3.38Å; L301-L304 PolarHBondContact O-N 3.42Å; L301-L315 HydrophobicContact CD1-CD1 3.6Å; L301-L315 HydrophobicContact CD1-CD2 4.21Å; L301-L315 HydrophobicContact CD2-CD2 3.89Å; L301-I320 HydrophobicContact CD1-CD1 3.81Å; L301-I330 HydrophobicContact CD1-CD1 3.51Å
302	M	84.7	Confident	89.2	Confident	86 Å²	86	48.4 Å²	48.4	42%	0.424	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-53.7	-35	-179	-155.2	63.1	173.5	0	0	114.4	H298 Q299 L304 K305	H298-M302 PolarHBondContact O-N 3.45Å; Q299-M302 WeakPolarHBondContact O-CB 3.48Å; Q299-M302 PolarHBondContact O-N 2.95Å; Q299-M302 VanDerWaalsContact O-N 3.1Å; M302-L304 PolarHBondContact O-N 2.63Å; M302-L304 VanDerWaalsContact O-N 3.12Å; M302-K305 HydrophobicContact CE-CD 3.82Å; M302-K305 VanDerWaalsContact O-CB 3.23Å; M302-K305 WeakPolarHBondContact O-CB 3.26Å; M302-K305 PolarHBondContact O-N 2.86Å; M302-K305 HydrophobicContact SD-CD 4.32Å
303	P	84.5	Confident	89.3	Confident	12 Å²	12	44.2 Å²	44.2	8%	0.078	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.2	-25.3	171.9	-29.5	37.9	0	0	0	114.8	I276 N277 L301 K305 S306	I276-P303 WeakPolarHBondContact O-CB 3.5Å; N277-P303 HydrophobicContact CB-CG 4.43Å; N277-P303 VanDerWaalsContact OD1-CG 3.25Å; N277-P303 WeakPolarHBondContact OD1-CG 3.3Å; L301-P303 VanDerWaalsContact C-N 3.27Å; P303-K305 VanDerWaalsContact C-N 3.26Å; P303-K305 PolarHBondContact O-N 3.42Å; P303-S306 PolarHBondContact O-OG 3.3Å
304	L	88.6	Confident	89.3	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-75.4	-16.1	179.2	-56.8	179.8	0	0	0	112.7	I276 L288 L301 M302 S306 L307 L310 L313 L334	I276-L304 HydrophobicContact CD1-CD1 3.67Å; I276-L304 HydrophobicContact CD1-CD2 3.5Å; I276-L304 HydrophobicContact CD1-CG 3.42Å; I276-L304 VanDerWaalsContact CD1-CG 3.42Å; L288-L304 HydrophobicContact CD2-CD1 4.04Å; L288-L304 HydrophobicContact CD2-CD2 3.61Å; L301-L304 HydrophobicContact CB-CD1 4.4Å; L301-L304 HydrophobicContact CD2-CD1 3.87Å; L301-L304 VanDerWaalsContact O-CB 3.3Å; L301-L304 WeakPolarHBondContact O-CB 3.38Å; L301-L304 PolarHBondContact O-N 3.42Å; M302-L304 PolarHBondContact O-N 2.63Å; M302-L304 VanDerWaalsContact O-N 3.12Å; L304-S306 PolarHBondContact O-N 2.83Å; L304-L307 HydrophobicContact CB-CD1 4.44Å; L304-L307 HydrophobicContact CD2-CD1 3.47Å; L304-L307 VanDerWaalsContact CD2-CD1 3.47Å; L304-L307 WeakPolarHBondContact O-CB 3.43Å; L304-L307 PolarHBondContact O-N 2.83Å; L304-L310 HydrophobicContact CB-CD2 4.11Å; L304-L310 HydrophobicContact CD1-CD2 4.15Å; L304-L310 HydrophobicContact CD2-CD2 4.29Å; L304-L310 HydrophobicContact CG-CD2 4.42Å; L304-L313 HydrophobicContact CD1-CD1 4.19Å; L304-L313 HydrophobicContact CD1-CD2 4.07Å; L304-L334 HydrophobicContact CB-CD1 4.18Å; L304-L334 HydrophobicContact CB-CD2 3.72Å; L304-L334 HydrophobicContact CD1-CD1 4.26Å
305	K	86.9	Confident	89.5	Confident	127 Å²	127	40.7 Å²	40.7	55%	0.552	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-61.8	-29.3	-179.8	-172.8	178.1	178.1	-175.1	0	112.4	M302 P303 L307 L334	M302-K305 HydrophobicContact CE-CD 3.82Å; M302-K305 VanDerWaalsContact O-CB 3.23Å; M302-K305 WeakPolarHBondContact O-CB 3.26Å; M302-K305 PolarHBondContact O-N 2.86Å; M302-K305 HydrophobicContact SD-CD 4.32Å; P303-K305 VanDerWaalsContact C-N 3.26Å; P303-K305 PolarHBondContact O-N 3.42Å; K305-L307 VanDerWaalsContact C-N 3.32Å; K305-L334 HydrophobicContact CB-CD2 4.43Å
306	S	83.6	Confident	89.6	Confident	60 Å²	60	44.4 Å²	44.4	42%	0.42	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-79.1	-12.2	176.8	57.5	0	0	0	0	113.7	T280 P303 L304 S308	T280-S306 PolarHBondContact O-OG 3.42Å; P303-S306 PolarHBondContact O-OG 3.3Å; L304-S306 PolarHBondContact O-N 2.83Å; S306-S308 PolarHBondContact O-N 3.49Å; S306-S308 VanDerWaalsContact O-N 3.1Å
307	L	88.4	Confident	89.9	Confident	6 Å²	6	44.4 Å²	44.4	3%	0.031	23%	0.232	C	C	.	.			trans	-83.5	89.3	-174.3	-57.8	-174.4	0	0	0	111.1	M282 L285 L304 K305 C309 L310	M282-L307 HydrophobicContact CB-CD2 4.39Å; M282-L307 WeakPolarHBondContact O-CD2 3.44Å; L285-L307 HydrophobicContact CB-CD1 4.44Å; L285-L307 HydrophobicContact CD2-CD1 3.8Å; L304-L307 HydrophobicContact CB-CD1 4.44Å; L304-L307 HydrophobicContact CD2-CD1 3.47Å; L304-L307 VanDerWaalsContact CD2-CD1 3.47Å; L304-L307 WeakPolarHBondContact O-CB 3.43Å; L304-L307 PolarHBondContact O-N 2.83Å; K305-L307 VanDerWaalsContact C-N 3.32Å; L307-C309 PolarHBondContact O-N 3.01Å; L307-L310 HydrophobicContact CB-CB 3.92Å; L307-L310 HydrophobicContact CD1-CD2 4.47Å; L307-L310 PolarHBondContact O-N 3.2Å
308	S	85.5	Confident	90.2	Very high	65 Å²	65	42.8 Å²	42.8	46%	0.455	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.6	-177.1	54.6	0	0	0	0	114.3	S306 N336	S306-S308 PolarHBondContact O-N 3.49Å; S306-S308 VanDerWaalsContact O-N 3.1Å; S308-N336 PolarHBondContact O-ND2 3.19Å
309	C	90.5	Very high	90.8	Very high	51 Å²	51	42.2 Å²	42.2	35%	0.345	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-1.4	-175.8	-65	0	0	0	0	114.4	K283 L285 N286 L307 H311	K283-C309 WeakPolarHBondContact O-CB 3.34Å; K283-C309 PolarHBondContact O-SG 3.07Å; L285-C309 CarbonylContact O-C 3.45Å; N286-C309 WeakPolarHBondContact CA-O 3.49Å; L307-C309 PolarHBondContact O-N 3.01Å; C309-H311 PolarHBondContact O-CE1 3.25Å; C309-H311 PolarHBondContact O-N 2.95Å; C309-H311 VanDerWaalsContact O-N 3.1Å; C309-H311 PolarHBondContact O-ND1 3.48Å
310	L	94	Very high	91.1	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.197	C	C	.	.			trans	-70.8	108.4	-178.3	-176.4	68.1	0	0	0	110	L285 L288 L304 L307 L337	L285-L310 HydrophobicContact CD2-CD1 4.16Å; L285-L310 HydrophobicContact CG-CD1 4.27Å; L285-L310 VanDerWaalsContact O-CA 3.28Å; L285-L310 WeakPolarHBondContact O-CA 3.32Å; L285-L310 PolarHBondContact O-N 2.81Å; L285-L310 VanDerWaalsContact O-N 3.15Å; L288-L310 HydrophobicContact CB-CD1 3.82Å; L304-L310 HydrophobicContact CB-CD2 4.11Å; L304-L310 HydrophobicContact CD1-CD2 4.15Å; L304-L310 HydrophobicContact CD2-CD2 4.29Å; L304-L310 HydrophobicContact CG-CD2 4.42Å; L307-L310 HydrophobicContact CB-CB 3.92Å; L307-L310 HydrophobicContact CD1-CD2 4.47Å; L307-L310 PolarHBondContact O-N 3.2Å; L310-L337 HydrophobicContact CG-CD1 4.3Å
311	H	94.6	Very high	91.5	Very high	56 Å²	56	38.4 Å²	38.4	26%	0.259	21%	0.211	S	C	.	.			trans	-107.5	-30	-178.5	-61.4	132.4	0	0	0	113.2	N286 C309 K338 I339	N286-H311 PolarHBondContact O-N 2.77Å; N286-H311 WeakPolarHBondContact OD1-CB 3.21Å; N286-H311 PolarHBondContact OD1-ND1 2.98Å; C309-H311 PolarHBondContact O-CE1 3.25Å; C309-H311 PolarHBondContact O-N 2.95Å; C309-H311 VanDerWaalsContact O-N 3.1Å; C309-H311 PolarHBondContact O-ND1 3.48Å; H311-K338 HydrophobicContact CB-CB 4.27Å; H311-K338 HydrophobicContact CB-CD 4.04Å; H311-K338 HydrophobicContact CB-CG 4.16Å; H311-K338 VanDerWaalsContact CD2-CE 3.46Å; H311-K338 WeakPolarHBondContact CD2-CE 3.44Å; H311-K338 PolarHBondContact NE2-NZ 3.44Å; H311-K338 WeakPolarHBondContact O-CA 3.31Å; H311-K338 PolarHBondContact O-N 3.14Å; H311-I339 PolarHBondContact O-N 2.92Å
312	N	96.7	Very high	91.8	Very high	33 Å²	33	45 Å²	45	18%	0.176	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.8	-177.5	-170.5	-8.6	0	0	0	110.3	N286 I287 L288 I339	N286-N312 PolarHBondContact O-N 3.3Å; I287-N312 WeakPolarHBondContact CA-O 3.38Å; I287-N312 HydrophobicContact CB-CB 4.35Å; I287-N312 HydrophobicContact CG1-CB 4Å; I287-N312 HydrophobicContact CG2-CB 4.18Å; L288-N312 PolarHBondContact N-O 3Å; N312-I339 WeakPolarHBondContact CA-O 3.13Å; N312-I339 HydrophobicContact CB-CB 4.32Å
313	L	96.7	Very high	92	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.7	178.4	178.8	61.1	0	0	0	109.2	L288 L290 L304 L315 I330 L334 L337 I339 L340 D341	L288-L313 HydrophobicContact CB-CD1 4.09Å; L288-L313 HydrophobicContact CD2-CD1 4.02Å; L288-L313 HydrophobicContact CG-CD1 4.02Å; L288-L313 WeakPolarHBondContact O-CA 3.4Å; L290-L313 HydrophobicContact CD1-CD1 4.18Å; L304-L313 HydrophobicContact CD1-CD1 4.19Å; L304-L313 HydrophobicContact CD1-CD2 4.07Å; L313-L315 HydrophobicContact CD1-CD2 4.39Å; L313-L315 HydrophobicContact CD1-CG 4.23Å; L313-L315 HydrophobicContact CD2-CD1 3.74Å; L313-L315 HydrophobicContact CD2-CG 4.16Å; L313-L315 HydrophobicContact CG-CD1 4.08Å; L313-L315 HydrophobicContact CG-CG 3.95Å; L313-I330 HydrophobicContact CD2-CG2 4.38Å; L313-L334 HydrophobicContact CD2-CD1 3.58Å; L313-L337 HydrophobicContact CB-CD1 3.54Å; L313-L337 HydrophobicContact CB-CD2 4.13Å; L313-L337 HydrophobicContact CB-CG 4.46Å; L313-I339 PolarHBondContact N-O 3.29Å; L313-L340 HydrophobicContact CB-CD1 4.3Å; L313-L340 HydrophobicContact CD2-CD1 4.3Å; L313-L340 HydrophobicContact CG-CD1 4.25Å; L313-L340 CarbonylContact O-C 3.54Å; L313-L340 VanDerWaalsContact O-CA 3.28Å; L313-L340 WeakPolarHBondContact O-CA 3.5Å; L313-D341 PolarHBondContact O-N 3.45Å
314	N	96.8	Very high	92	Very high	20 Å²	20	49.7 Å²	49.7	11%	0.107	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.2	172	-171.1	-9.5	0	0	0	109.5	L288 N289 L290 S291 K316 D341	L288-N314 PolarHBondContact O-N 3.22Å; N289-N314 HydrophobicContact CB-CB 4.49Å; L290-N314 CarbonylContact C-O 3.56Å; L290-N314 VanDerWaalsContact C-O 3.28Å; L290-N314 VanDerWaalsContact CA-O 3.28Å; L290-N314 WeakPolarHBondContact CA-O 3.37Å; L290-N314 WeakPolarHBondContact CB-O 3.44Å; L290-N314 PolarHBondContact N-O 3.02Å; S291-N314 PolarHBondContact N-O 3.3Å; N314-K316 WeakPolarHBondContact OD1-CB 3.12Å; N314-K316 WeakPolarHBondContact OD1-CG 3.5Å; N314-K316 PolarHBondContact OD1-N 3.48Å; N314-D341 PolarHBondContact OD1-OD1 3.12Å
315	L	96.2	Very high	92	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.285	C	S	.	.			trans	-125.4	6.7	-178.7	-70.6	169.8	0	0	0	111.6	L290 I295 L301 L313 N318 C321 Y326 I330 L340 D341	L290-L315 HydrophobicContact CB-CD2 3.81Å; L290-L315 HydrophobicContact CD1-CD2 4.13Å; I295-L315 HydrophobicContact CD1-CD2 3.86Å; L301-L315 HydrophobicContact CD1-CD1 3.6Å; L301-L315 HydrophobicContact CD1-CD2 4.21Å; L301-L315 HydrophobicContact CD2-CD2 3.89Å; L313-L315 HydrophobicContact CD1-CD2 4.39Å; L313-L315 HydrophobicContact CD1-CG 4.23Å; L313-L315 HydrophobicContact CD2-CD1 3.74Å; L313-L315 HydrophobicContact CD2-CG 4.16Å; L313-L315 HydrophobicContact CG-CD1 4.08Å; L313-L315 HydrophobicContact CG-CG 3.95Å; L315-N318 VanDerWaalsContact O-CB 3.32Å; L315-N318 WeakPolarHBondContact O-CB 3.32Å; L315-N318 PolarHBondContact O-N 3.48Å; L315-N318 PolarHBondContact O-ND2 2.74Å; L315-C321 PolarHBondContact O-SG 2.82Å; L315-Y326 WeakPolarHBondContact CB-OH 3.49Å; L315-Y326 HydrophobicContact CD1-CE2 4.06Å; L315-Y326 VanDerWaalsContact CD1-OH 3.25Å; L315-Y326 WeakPolarHBondContact CD1-OH 3.46Å; L315-I330 HydrophobicContact CD1-CD1 4.47Å; L315-I330 HydrophobicContact CD1-CG1 4.36Å; L315-L340 HydrophobicContact CD1-CD1 4.22Å; L315-D341 WeakPolarHBondContact CA-OD1 2.96Å; L315-D341 PolarHBondContact N-OD1 2.98Å
316	K	96	Very high	92.2	Very high	79 Å²	79	47.2 Å²	47.2	34%	0.343	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	143.3	177.6	-73.2	178.9	176.2	166.4	0	112.1	S291 Q292 N314 N318 D341 D342	S291-K316 CarbonylContact C-O 3.59Å; S291-K316 WeakPolarHBondContact CA-O 3.26Å; S291-K316 WeakPolarHBondContact CB-O 3.32Å; Q292-K316 PolarHBondContact N-O 3.41Å; N314-K316 WeakPolarHBondContact OD1-CB 3.12Å; N314-K316 WeakPolarHBondContact OD1-CG 3.5Å; N314-K316 PolarHBondContact OD1-N 3.48Å; K316-N318 VanDerWaalsContact C-N 3.29Å; K316-N318 PolarHBondContact O-N 2.69Å; K316-D341 HydrophobicContact CD-CB 4.47Å; K316-D341 WeakPolarHBondContact CE-O 3.28Å; K316-D341 HydrophobicContact CG-CB 3.86Å; K316-D341 PolarHBondContact N-OD1 2.67Å; K316-D341 PolarHBondContact NZ-O 3.32Å; K316-D342 IonicContact NZ-OD2 3.59Å; K316-D342 PolarHBondContact NZ-OD2 3.1Å
317	N	95.4	Very high	92.5	Very high	110 Å²	110	45.6 Å²	45.6	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	39.1	-178.8	-47.5	-44.2	0	0	0	112.8	Q292	Q292-N317 WeakPolarHBondContact CA-O 3.26Å; Q292-N317 HydrophobicContact CG-CB 3.89Å
318	N	95.5	Very high	92.6	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.027	26%	0.257	C	S	.	.	S	Bend	trans	-112.5	149.3	162.8	-78.6	-95.1	0	0	0	109	L290 N293 Q294 I295 L315 K316 I320 C321	L290-N318 PolarHBondContact O-ND2 2.92Å; N293-N318 VanDerWaalsContact CA-OD1 3.27Å; N293-N318 WeakPolarHBondContact CA-OD1 3.48Å; N293-N318 WeakPolarHBondContact CB-OD1 3.31Å; N293-N318 PolarHBondContact N-OD1 3.33Å; N293-N318 PolarHBondContact O-OD1 3.25Å; N293-N318 VanDerWaalsContact O-OD1 3.07Å; Q294-N318 PolarHBondContact N-OD1 3.26Å; I295-N318 HydrophobicContact CB-CB 4.28Å; I295-N318 WeakPolarHBondContact CB-OD1 3.39Å; I295-N318 WeakPolarHBondContact CG1-OD1 3.44Å; I295-N318 PolarHBondContact N-OD1 3.29Å; L315-N318 VanDerWaalsContact O-CB 3.32Å; L315-N318 WeakPolarHBondContact O-CB 3.32Å; L315-N318 PolarHBondContact O-N 3.48Å; L315-N318 PolarHBondContact O-ND2 2.74Å; K316-N318 VanDerWaalsContact C-N 3.29Å; K316-N318 PolarHBondContact O-N 2.69Å; N318-I320 HydrophobicContact CB-CG2 3.85Å; N318-I320 PolarHBondContact O-N 3.01Å; N318-I320 VanDerWaalsContact O-N 3.07Å; N318-C321 VanDerWaalsContact O-CB 3.3Å; N318-C321 WeakPolarHBondContact O-CB 3.4Å; N318-C321 PolarHBondContact O-N 3.26Å
319	P	95.4	Very high	92.8	Very high	43 Å²	43	47 Å²	47	28%	0.279	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56	-26.8	178	-23.5	30.2	0	0	0	114.4	I295 I296 C321 D322	I295-P319 VanDerWaalsContact O-CD 3.31Å; I295-P319 WeakPolarHBondContact O-CD 3.38Å; I296-P319 HydrophobicContact CG1-CB 4.46Å; I296-P319 HydrophobicContact CG1-CG 4.45Å; P319-C321 PolarHBondContact O-N 2.69Å; P319-D322 PolarHBondContact O-N 2.84Å
320	I	93.1	Very high	92.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-58.7	-28.7	174.5	-159.3	-177.4	0	0	0	113	I295 D297 L301 N318 D322 Q323 Y326 I330	I295-I320 HydrophobicContact CG2-CD1 4.49Å; I295-I320 HydrophobicContact CG2-CG2 4.48Å; I295-I320 WeakPolarHBondContact O-CB 3.43Å; I295-I320 PolarHBondContact O-N 2.92Å; D297-I320 VanDerWaalsContact C-CD1 3.46Å; L301-I320 HydrophobicContact CD1-CD1 3.81Å; N318-I320 HydrophobicContact CB-CG2 3.85Å; N318-I320 PolarHBondContact O-N 3.01Å; N318-I320 VanDerWaalsContact O-N 3.07Å; I320-D322 PolarHBondContact O-N 3.12Å; I320-Q323 WeakPolarHBondContact O-CB 3.39Å; I320-Q323 PolarHBondContact O-N 3.11Å; I320-Y326 HydrophobicContact CB-CD2 4.34Å; I320-Y326 HydrophobicContact CB-CE2 4.46Å; I320-Y326 HydrophobicContact CD1-CD2 4Å; I320-Y326 HydrophobicContact CD1-CE2 4.06Å; I320-Y326 HydrophobicContact CG1-CD2 3.75Å; I320-Y326 HydrophobicContact CG1-CE2 4.13Å; I320-Y326 HydrophobicContact CG2-CD2 4.06Å; I320-Y326 HydrophobicContact CG2-CE2 3.71Å; I320-Y326 WeakPolarHBondContact O-CB 3.29Å; I320-Y326 WeakPolarHBondContact O-CD2 3.44Å; I320-I330 HydrophobicContact CD1-CD1 3.89Å
321	C	91.7	Very high	92.8	Very high	41 Å²	41	44.7 Å²	44.7	28%	0.277	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-66.7	-25.2	-179.8	-64.9	0	0	0	0	112.9	L315 N318 P319 Q323	L315-C321 PolarHBondContact O-SG 2.82Å; N318-C321 VanDerWaalsContact O-CB 3.3Å; N318-C321 WeakPolarHBondContact O-CB 3.4Å; N318-C321 PolarHBondContact O-N 3.26Å; P319-C321 PolarHBondContact O-N 2.69Å; C321-Q323 PolarHBondContact O-N 3.32Å
322	D	92.3	Very high	92.5	Very high	143 Å²	143	43.4 Å²	43.4	77%	0.765	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-80.5	-7.4	179.1	-59.3	-41.6	0	0	0	112.2	P319 I320	P319-D322 PolarHBondContact O-N 2.84Å; I320-D322 PolarHBondContact O-N 3.12Å
323	Q	89.2	Confident	92.2	Very high	57 Å²	57	43.7 Å²	43.7	27%	0.266	22%	0.223	S	C	.	.	S	Bend	trans	-76.4	139.6	179.8	-61.7	-173.7	-25.7	0	0	112.2	I296 I320 C321 N325 Y326	I296-Q323 PolarHBondContact O-NE2 3.04Å; I320-Q323 WeakPolarHBondContact O-CB 3.39Å; I320-Q323 PolarHBondContact O-N 3.11Å; C321-Q323 PolarHBondContact O-N 3.32Å; Q323-N325 PolarHBondContact O-N 3.2Å; Q323-Y326 VanDerWaalsContact O-CB 3.29Å; Q323-Y326 WeakPolarHBondContact O-CB 3.36Å; Q323-Y326 PolarHBondContact O-N 3.35Å; Q323-Y326 VanDerWaalsContact O-N 3.14Å
324	N	85.8	Confident	91.8	Very high	140 Å²	140	44.3 Å²	44.3	75%	0.749	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	133.1	172.3	-72.7	-14.3	0	0	0	111	Y326	N324-Y326 PolarHBondContact O-N 3.13Å
325	N	86.9	Confident	91.4	Very high	60 Å²	60	48.9 Å²	48.9	32%	0.321	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	26.2	-179.6	-57.9	-33.6	0	0	0	114.4	Q323 F327 Q328 R329 Y356	Q323-N325 PolarHBondContact O-N 3.2Å; N325-F327 VanDerWaalsContact C-N 3.27Å; N325-F327 PolarHBondContact O-N 3.12Å; N325-Q328 VanDerWaalsContact CA-OE1 3.3Å; N325-Q328 HydrophobicContact CB-CB 4.37Å; N325-Q328 PolarHBondContact O-N 2.92Å; N325-Q328 PolarHBondContact O-OE1 3.18Å; N325-R329 WeakPolarHBondContact O-CB 3.29Å; N325-R329 PolarHBondContact O-N 2.93Å; N325-Y356 WeakPolarHBondContact ND2-CE2 3.22Å; N325-Y356 PolarHBondContact ND2-OH 3.37Å; N325-Y356 VanDerWaalsContact ND2-OH 3.12Å
326	Y	91.6	Very high	91.1	Very high	17 Å²	17	52.8 Å²	52.8	7%	0.067	27%	0.266	C	S	.	.	H	α-helix	trans	-47.7	-50.2	174.4	152.7	-107.5	0	0	0	111.9	L315 I320 Q323 N324 Q328 R329 I330 D341	L315-Y326 WeakPolarHBondContact CB-OH 3.49Å; L315-Y326 HydrophobicContact CD1-CE2 4.06Å; L315-Y326 VanDerWaalsContact CD1-OH 3.25Å; L315-Y326 WeakPolarHBondContact CD1-OH 3.46Å; I320-Y326 HydrophobicContact CB-CD2 4.34Å; I320-Y326 HydrophobicContact CB-CE2 4.46Å; I320-Y326 HydrophobicContact CD1-CD2 4Å; I320-Y326 HydrophobicContact CD1-CE2 4.06Å; I320-Y326 HydrophobicContact CG1-CD2 3.75Å; I320-Y326 HydrophobicContact CG1-CE2 4.13Å; I320-Y326 HydrophobicContact CG2-CD2 4.06Å; I320-Y326 HydrophobicContact CG2-CE2 3.71Å; I320-Y326 WeakPolarHBondContact O-CB 3.29Å; I320-Y326 WeakPolarHBondContact O-CD2 3.44Å; Q323-Y326 VanDerWaalsContact O-CB 3.29Å; Q323-Y326 WeakPolarHBondContact O-CB 3.36Å; Q323-Y326 PolarHBondContact O-N 3.35Å; Q323-Y326 VanDerWaalsContact O-N 3.14Å; N324-Y326 PolarHBondContact O-N 3.13Å; Y326-Q328 PolarHBondContact O-N 3.41Å; Y326-R329 WeakPolarHBondContact O-CB 3.17Å; Y326-R329 PolarHBondContact O-N 3.32Å; Y326-R329 VanDerWaalsContact O-N 3.1Å; Y326-I330 HydrophobicContact CD2-CD1 4.28Å; Y326-I330 HydrophobicContact CD2-CG1 3.65Å; Y326-I330 HydrophobicContact CE2-CB 4.5Å; Y326-I330 HydrophobicContact CE2-CD1 3.95Å; Y326-I330 HydrophobicContact CE2-CG1 3.24Å; Y326-I330 WeakPolarHBondContact O-CG1 3Å; Y326-I330 PolarHBondContact O-N 2.9Å; Y326-D341 WeakPolarHBondContact CE1-OD2 3.44Å; Y326-D341 PolarHBondContact OH-OD2 3.35Å
327	F	91.2	Very high	91	Very high	27 Å²	27	49.1 Å²	49.1	12%	0.118	25%	0.25	C	C	.	.	H	α-helix	trans	-58.4	-47.2	-178	-174.1	-103.6	0	0	0	111.8	N325 R329 I330 I331 L340 D349	N325-F327 VanDerWaalsContact C-N 3.27Å; N325-F327 PolarHBondContact O-N 3.12Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-R329 PolarHBondContact O-N 3.36Å; F327-I330 PolarHBondContact O-N 3.46Å; F327-I331 HydrophobicContact CD1-CD1 3.48Å; F327-I331 VanDerWaalsContact CD1-CD1 3.48Å; F327-I331 HydrophobicContact CD2-CD1 4.29Å; F327-I331 HydrophobicContact CE1-CD1 3.17Å; F327-I331 HydrophobicContact CE2-CD1 4.02Å; F327-I331 HydrophobicContact CG-CD1 4.04Å; F327-I331 HydrophobicContact CZ-CD1 3.47Å; F327-I331 VanDerWaalsContact CZ-CD1 3.47Å; F327-I331 WeakPolarHBondContact O-CB 3.11Å; F327-I331 WeakPolarHBondContact O-CD1 3.33Å; F327-I331 VanDerWaalsContact O-CG1 3.26Å; F327-I331 WeakPolarHBondContact O-CG1 3.25Å; F327-I331 PolarHBondContact O-N 2.92Å; F327-I331 VanDerWaalsContact O-N 3.09Å; F327-L340 HydrophobicContact CD2-CD2 3.63Å; F327-L340 HydrophobicContact CD2-CG 4.38Å; F327-L340 HydrophobicContact CE2-CB 4.23Å; F327-L340 HydrophobicContact CE2-CD2 3.9Å; F327-L340 HydrophobicContact CE2-CG 4.37Å; F327-D349 HydrophobicContact CE1-CB 3.86Å
328	Q	90.2	Very high	90.9	Very high	47 Å²	47	49.4 Å²	49.4	22%	0.22	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-39.6	176.9	-68	77.8	3.9	0	0	111.2	N325 Y326 I331 F332 A353	N325-Q328 VanDerWaalsContact CA-OE1 3.3Å; N325-Q328 HydrophobicContact CB-CB 4.37Å; N325-Q328 PolarHBondContact O-N 2.92Å; N325-Q328 PolarHBondContact O-OE1 3.18Å; Y326-Q328 PolarHBondContact O-N 3.41Å; Q328-I331 PolarHBondContact O-N 3.46Å; Q328-F332 VanDerWaalsContact O-CB 3.28Å; Q328-F332 WeakPolarHBondContact O-CB 3.18Å; Q328-F332 PolarHBondContact O-N 2.93Å; Q328-A353 HydrophobicContact CB-CB 4.07Å; Q328-A353 HydrophobicContact CG-CB 4.49Å; Q328-A353 WeakPolarHBondContact O-CB 3.46Å
329	R	90	Very high	90.9	Very high	52 Å²	52	52.1 Å²	52.1	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-49.5	177.5	-165.3	173.1	-64.4	161.7	-1.6	111.9	H298 N325 Y326 F327 F332 H333 Y357	H298-R329 HydrophobicContact CB-CG 4.19Å; N325-R329 WeakPolarHBondContact O-CB 3.29Å; N325-R329 PolarHBondContact O-N 2.93Å; Y326-R329 WeakPolarHBondContact O-CB 3.17Å; Y326-R329 PolarHBondContact O-N 3.32Å; Y326-R329 VanDerWaalsContact O-N 3.1Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-R329 PolarHBondContact O-N 3.36Å; R329-F332 PolarHBondContact O-N 3.21Å; R329-H333 PolarHBondContact O-CD2 3.07Å; R329-H333 PolarHBondContact O-N 3.38Å; R329-H333 VanDerWaalsContact O-N 3.13Å; R329-Y357 WeakPolarHBondContact CA-OH 3.05Å; R329-Y357 HydrophobicContact CB-CE2 4.28Å; R329-Y357 WeakPolarHBondContact CB-OH 3.43Å; R329-Y357 VanDerWaalsContact CG-OH 3.26Å; R329-Y357 WeakPolarHBondContact CG-OH 3.41Å; R329-Y357 PolarHBondContact NE-OH 3.13Å; R329-Y357 VanDerWaalsContact NE-OH 3.07Å
330	I	91.4	Very high	90.9	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-64.8	-43.8	179.8	-61.9	-48.7	0	0	0	111.1	L301 L313 L315 I320 Y326 F327 F332 H333 L334 L337 L340	L301-I330 HydrophobicContact CD1-CD1 3.51Å; L313-I330 HydrophobicContact CD2-CG2 4.38Å; L315-I330 HydrophobicContact CD1-CD1 4.47Å; L315-I330 HydrophobicContact CD1-CG1 4.36Å; I320-I330 HydrophobicContact CD1-CD1 3.89Å; Y326-I330 HydrophobicContact CD2-CD1 4.28Å; Y326-I330 HydrophobicContact CD2-CG1 3.65Å; Y326-I330 HydrophobicContact CE2-CB 4.5Å; Y326-I330 HydrophobicContact CE2-CD1 3.95Å; Y326-I330 HydrophobicContact CE2-CG1 3.24Å; Y326-I330 WeakPolarHBondContact O-CG1 3Å; Y326-I330 PolarHBondContact O-N 2.9Å; F327-I330 PolarHBondContact O-N 3.46Å; I330-F332 VanDerWaalsContact C-N 3.3Å; I330-F332 PolarHBondContact O-N 3.09Å; I330-H333 PolarHBondContact O-N 3.14Å; I330-L334 HydrophobicContact CG2-CD1 3.95Å; I330-L334 HydrophobicContact CG2-CG 4.41Å; I330-L334 WeakPolarHBondContact O-CB 3.4Å; I330-L334 PolarHBondContact O-N 3.09Å; I330-L337 HydrophobicContact CG2-CD2 4.27Å; I330-L340 HydrophobicContact CB-CD2 3.94Å; I330-L340 HydrophobicContact CG2-CD1 4.07Å; I330-L340 HydrophobicContact CG2-CD2 3.82Å
331	I	91.9	Very high	91	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-39.2	178.3	-70.4	167.4	0	0	0	111.7	F327 Q328 L334 V345 D349 R350 A353	F327-I331 HydrophobicContact CD1-CD1 3.48Å; F327-I331 VanDerWaalsContact CD1-CD1 3.48Å; F327-I331 HydrophobicContact CD2-CD1 4.29Å; F327-I331 HydrophobicContact CE1-CD1 3.17Å; F327-I331 HydrophobicContact CE2-CD1 4.02Å; F327-I331 HydrophobicContact CG-CD1 4.04Å; F327-I331 HydrophobicContact CZ-CD1 3.47Å; F327-I331 VanDerWaalsContact CZ-CD1 3.47Å; F327-I331 WeakPolarHBondContact O-CB 3.11Å; F327-I331 WeakPolarHBondContact O-CD1 3.33Å; F327-I331 VanDerWaalsContact O-CG1 3.26Å; F327-I331 WeakPolarHBondContact O-CG1 3.25Å; F327-I331 PolarHBondContact O-N 2.92Å; F327-I331 VanDerWaalsContact O-N 3.09Å; Q328-I331 PolarHBondContact O-N 3.46Å; I331-L334 CarbonylContact O-C 3.37Å; I331-V345 HydrophobicContact CD1-CG1 3.74Å; I331-V345 HydrophobicContact CD1-CG2 4.15Å; I331-V345 HydrophobicContact CG1-CG1 3.97Å; I331-V345 HydrophobicContact CG1-CG2 4.15Å; I331-V345 HydrophobicContact CG2-CG1 4.17Å; I331-D349 HydrophobicContact CD1-CB 4Å; I331-R350 HydrophobicContact CG2-CB 4.3Å; I331-R350 HydrophobicContact CG2-CG 3.71Å; I331-A353 HydrophobicContact CB-CB 4.18Å; I331-A353 HydrophobicContact CG2-CB 3.93Å
332	F	89.8	Confident	91	Very high	28 Å²	28	54.2 Å²	54.2	12%	0.123	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-46.4	178.1	179.2	-106.5	0	0	0	111.8	Q328 R329 I330 A353 N354 Y357 E358	Q328-F332 VanDerWaalsContact O-CB 3.28Å; Q328-F332 WeakPolarHBondContact O-CB 3.18Å; Q328-F332 PolarHBondContact O-N 2.93Å; R329-F332 PolarHBondContact O-N 3.21Å; I330-F332 VanDerWaalsContact C-N 3.3Å; I330-F332 PolarHBondContact O-N 3.09Å; F332-A353 HydrophobicContact CB-CB 4.25Å; F332-N354 WeakPolarHBondContact CD2-OD1 3.42Å; F332-Y357 HydrophobicContact CB-CD2 3.63Å; F332-Y357 HydrophobicContact CB-CE2 4.01Å; F332-Y357 HydrophobicContact CB-CG 4.49Å; F332-Y357 HydrophobicContact CD1-CD1 4.43Å; F332-Y357 AromaticContact CD1-CD2 3.75Å; F332-Y357 HydrophobicContact CD1-CD2 3.75Å; F332-Y357 HydrophobicContact CD1-CE2 4.44Å; F332-Y357 AromaticContact CD1-CG 3.76Å; F332-Y357 HydrophobicContact CD1-CG 3.76Å; F332-Y357 AromaticContact CD2-CD2 3.98Å; F332-Y357 HydrophobicContact CD2-CD2 3.98Å; F332-Y357 HydrophobicContact CD2-CG 4.24Å; F332-Y357 HydrophobicContact CE1-CD2 4.41Å; F332-Y357 AromaticContact CE1-CG 3.99Å; F332-Y357 HydrophobicContact CE1-CG 3.99Å; F332-Y357 HydrophobicContact CE2-CG 4.44Å; F332-Y357 AromaticContact CG-CD2 3.5Å; F332-Y357 HydrophobicContact CG-CD2 3.5Å; F332-Y357 VanDerWaalsContact CG-CD2 3.5Å; F332-Y357 HydrophobicContact CG-CE2 4.28Å; F332-Y357 AromaticContact CG-CG 3.9Å; F332-Y357 HydrophobicContact CG-CG 3.9Å; F332-Y357 HydrophobicContact CZ-CG 4.33Å; F332-E358 HydrophobicContact CE2-CG 4.01Å; F332-E358 HydrophobicContact CZ-CG 3.93Å
333	H	88.3	Confident	91.1	Very high	39 Å²	39	53.5 Å²	53.5	18%	0.181	25%	0.252	C	S	.	.	H	α-helix	trans	-75.5	-38.9	179.6	-66.5	-60.6	0	0	0	113.2	H298 R329 I330	H298-H333 AromaticContact CD2-CD2 3.8Å; H298-H333 AromaticContact CD2-CE1 3.95Å; H298-H333 AromaticContact CD2-NE2 3.31Å; H298-H333 PolarHBondContact CD2-NE2 3.31Å; H298-H333 VanDerWaalsContact CD2-NE2 3.31Å; H298-H333 AromaticContact CG-NE2 3.98Å; H298-H333 AromaticContact NE2-NE2 3.87Å; R329-H333 PolarHBondContact O-CD2 3.07Å; R329-H333 PolarHBondContact O-N 3.38Å; R329-H333 VanDerWaalsContact O-N 3.13Å; I330-H333 PolarHBondContact O-N 3.14Å
334	L	90.3	Very high	91.4	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.073	28%	0.277	C	S	.	.			trans	-104.9	73.7	-176.3	-56.2	-175.7	0	0	0	111.5	L304 K305 L313 I330 I331 N336 L337	L304-L334 HydrophobicContact CB-CD1 4.18Å; L304-L334 HydrophobicContact CB-CD2 3.72Å; L304-L334 HydrophobicContact CD1-CD1 4.26Å; K305-L334 HydrophobicContact CB-CD2 4.43Å; L313-L334 HydrophobicContact CD2-CD1 3.58Å; I330-L334 HydrophobicContact CG2-CD1 3.95Å; I330-L334 HydrophobicContact CG2-CG 4.41Å; I330-L334 WeakPolarHBondContact O-CB 3.4Å; I330-L334 PolarHBondContact O-N 3.09Å; I331-L334 CarbonylContact O-C 3.37Å; L334-N336 PolarHBondContact O-N 2.89Å; L334-L337 HydrophobicContact CB-CB 4.36Å; L334-L337 WeakPolarHBondContact O-CB 3.34Å; L334-L337 PolarHBondContact O-N 3.07Å
335	K	87.8	Confident	91.8	Very high	115 Å²	115	54.7 Å²	54.7	50%	0.5	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.3	-173	-61	-174.1	179.7	-174.3	0	114.7	R350	K335-R350 PolarHBondContact O-NH1 3.1Å; K335-R350 PolarHBondContact O-NH2 3.49Å
336	N	89.6	Confident	92.1	Very high	83 Å²	83	54.1 Å²	54.1	44%	0.444	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.9	-177.4	-66.3	-14.9	0	0	0	114.2	S308 L334 K338	S308-N336 PolarHBondContact O-ND2 3.19Å; L334-N336 PolarHBondContact O-N 2.89Å; N336-K338 PolarHBondContact O-N 3.48Å
337	L	92.9	Very high	92	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	28%	0.277	C	S	.	.			trans	-69.3	130.9	-174.3	-160.7	71.9	0	0	0	112.2	L310 L313 I330 L334 I339 L340 R350	L310-L337 HydrophobicContact CG-CD1 4.3Å; L313-L337 HydrophobicContact CB-CD1 3.54Å; L313-L337 HydrophobicContact CB-CD2 4.13Å; L313-L337 HydrophobicContact CB-CG 4.46Å; I330-L337 HydrophobicContact CG2-CD2 4.27Å; L334-L337 HydrophobicContact CB-CB 4.36Å; L334-L337 WeakPolarHBondContact O-CB 3.34Å; L334-L337 PolarHBondContact O-N 3.07Å; L337-I339 WeakPolarHBondContact CG-O 3.11Å; L337-L340 HydrophobicContact CD2-CB 3.68Å; L337-L340 HydrophobicContact CD2-CD1 3.89Å; L337-L340 HydrophobicContact CD2-CD2 4.33Å; L337-L340 HydrophobicContact CD2-CG 4.17Å; L337-R350 PolarHBondContact O-NH2 2.84Å
338	K	93.9	Very high	92	Very high	116 Å²	116	64.1 Å²	64.1	50%	0.504	30%	0.298	S	S	.	.	S	Bend	trans	-101.9	-36.5	178.4	-64.2	-178.7	-178.8	162.7	0	111.9	H311 N336 R344 V345	H311-K338 HydrophobicContact CB-CB 4.27Å; H311-K338 HydrophobicContact CB-CD 4.04Å; H311-K338 HydrophobicContact CB-CG 4.16Å; H311-K338 VanDerWaalsContact CD2-CE 3.46Å; H311-K338 WeakPolarHBondContact CD2-CE 3.44Å; H311-K338 PolarHBondContact NE2-NZ 3.44Å; H311-K338 WeakPolarHBondContact O-CA 3.31Å; H311-K338 PolarHBondContact O-N 3.14Å; N336-K338 PolarHBondContact O-N 3.48Å; K338-R344 WeakPolarHBondContact O-CA 3.42Å; K338-V345 PolarHBondContact O-N 2.82Å
339	I	96.5	Very high	92	Very high	61 Å²	61	62.5 Å²	62.5	31%	0.313	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.6	-178.1	-57.5	173.7	0	0	0	108	H311 N312 L313 L337 R343	H311-I339 PolarHBondContact O-N 2.92Å; N312-I339 WeakPolarHBondContact CA-O 3.13Å; N312-I339 HydrophobicContact CB-CB 4.32Å; L313-I339 PolarHBondContact N-O 3.29Å; L337-I339 WeakPolarHBondContact CG-O 3.11Å; I339-R343 WeakPolarHBondContact CA-O 3.37Å
340	L	95.2	Very high	92.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125	173.7	-179.5	56.8	0	0	0	108.2	L313 L315 F327 I330 L337 D342 R343 V345	L313-L340 HydrophobicContact CB-CD1 4.3Å; L313-L340 HydrophobicContact CD2-CD1 4.3Å; L313-L340 HydrophobicContact CG-CD1 4.25Å; L313-L340 CarbonylContact O-C 3.54Å; L313-L340 VanDerWaalsContact O-CA 3.28Å; L313-L340 WeakPolarHBondContact O-CA 3.5Å; L315-L340 HydrophobicContact CD1-CD1 4.22Å; F327-L340 HydrophobicContact CD2-CD2 3.63Å; F327-L340 HydrophobicContact CD2-CG 4.38Å; F327-L340 HydrophobicContact CE2-CB 4.23Å; F327-L340 HydrophobicContact CE2-CD2 3.9Å; F327-L340 HydrophobicContact CE2-CG 4.37Å; I330-L340 HydrophobicContact CB-CD2 3.94Å; I330-L340 HydrophobicContact CG2-CD1 4.07Å; I330-L340 HydrophobicContact CG2-CD2 3.82Å; L337-L340 HydrophobicContact CD2-CB 3.68Å; L337-L340 HydrophobicContact CD2-CD1 3.89Å; L337-L340 HydrophobicContact CD2-CD2 4.33Å; L337-L340 HydrophobicContact CD2-CG 4.17Å; L340-D342 PolarHBondContact O-N 3.21Å; L340-R343 PolarHBondContact N-O 3.35Å; L340-R343 WeakPolarHBondContact O-CA 3.42Å; L340-R343 WeakPolarHBondContact O-CB 3.32Å; L340-R343 PolarHBondContact O-N 2.75Å; L340-R343 VanDerWaalsContact O-O 3.11Å; L340-V345 HydrophobicContact CB-CG2 4.21Å
341	D	94.5	Very high	91.9	Very high	25 Å²	25	66.6 Å²	66.6	13%	0.134	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	40.1	176	-60.8	-37	0	0	0	112.8	L313 N314 L315 K316 Y326 R343	L313-D341 PolarHBondContact O-N 3.45Å; N314-D341 PolarHBondContact OD1-OD1 3.12Å; L315-D341 WeakPolarHBondContact CA-OD1 2.96Å; L315-D341 PolarHBondContact N-OD1 2.98Å; K316-D341 HydrophobicContact CD-CB 4.47Å; K316-D341 WeakPolarHBondContact CE-O 3.28Å; K316-D341 HydrophobicContact CG-CB 3.86Å; K316-D341 PolarHBondContact N-OD1 2.67Å; K316-D341 PolarHBondContact NZ-O 3.32Å; Y326-D341 WeakPolarHBondContact CE1-OD2 3.44Å; Y326-D341 PolarHBondContact OH-OD2 3.35Å; D341-R343 PolarHBondContact O-N 3.45Å; D341-R343 VanDerWaalsContact O-N 3.14Å
342	D	91.8	Very high	91.6	Very high	104 Å²	104	73.3 Å²	73.3	56%	0.556	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	8.3	-174.3	-47.1	-52.4	0	0	0	114.9	K316 L340	K316-D342 IonicContact NZ-OD2 3.59Å; K316-D342 PolarHBondContact NZ-OD2 3.1Å; L340-D342 PolarHBondContact O-N 3.21Å
343	R	94	Very high	91.5	Very high	127 Å²	127	72 Å²	72	48%	0.479	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.6	173.2	-179.5	-179.2	168.3	-160.5	-9.3	110.4	I339 L340 D341 D349	I339-R343 WeakPolarHBondContact CA-O 3.37Å; L340-R343 PolarHBondContact N-O 3.35Å; L340-R343 WeakPolarHBondContact O-CA 3.42Å; L340-R343 WeakPolarHBondContact O-CB 3.32Å; L340-R343 PolarHBondContact O-N 2.75Å; L340-R343 VanDerWaalsContact O-O 3.11Å; D341-R343 PolarHBondContact O-N 3.45Å; D341-R343 VanDerWaalsContact O-N 3.14Å; R343-D349 IonicContact NH2-OD1 3.8Å; R343-D349 PolarHBondContact NH2-OD1 3Å; R343-D349 IonicContact NH2-OD2 3.96Å; R343-D349 PolarHBondContact NH2-OD2 2.88Å
344	R	95.1	Very high	91.5	Very high	210 Å²	210	73 Å²	73	79%	0.792	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.4	173.7	-172.1	174	179.6	164.5	-1.1	110.8	K338	K338-R344 WeakPolarHBondContact O-CA 3.42Å
345	V	94.1	Very high	91.1	Very high	13 Å²	13	75.1 Å²	75.1	8%	0.079	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-78.4	119.7	176.2	178.5	0	0	0	0	109.4	I331 K338 L340 D349 R350	I331-V345 HydrophobicContact CD1-CG1 3.74Å; I331-V345 HydrophobicContact CD1-CG2 4.15Å; I331-V345 HydrophobicContact CG1-CG1 3.97Å; I331-V345 HydrophobicContact CG1-CG2 4.15Å; I331-V345 HydrophobicContact CG2-CG1 4.17Å; K338-V345 PolarHBondContact O-N 2.82Å; L340-V345 HydrophobicContact CB-CG2 4.21Å; V345-D349 HydrophobicContact CG1-CB 4.46Å; V345-R350 HydrophobicContact CG1-CG 3.89Å
346	S	93.4	Very high	90.9	Very high	48 Å²	48	75.9 Å²	75.9	34%	0.336	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-86.2	164.7	176.7	75.4	0	0	0	0	112.4	M348 D349 R350	S346-M348 VanDerWaalsContact C-N 3.28Å; S346-M348 PolarHBondContact O-N 3.04Å; S346-M348 PolarHBondContact OG-N 2.87Å; S346-D349 WeakPolarHBondContact CB-OD2 3.39Å; S346-D349 PolarHBondContact N-OD2 3.44Å; S346-D349 VanDerWaalsContact N-OD2 3.09Å; S346-D349 PolarHBondContact O-N 2.94Å; S346-D349 PolarHBondContact OG-N 3.42Å; S346-D349 VanDerWaalsContact OG-N 3.07Å; S346-D349 PolarHBondContact OG-OD2 3.31Å; S346-R350 PolarHBondContact O-N 2.82Å
347	I	89.5	Confident	90.6	Very high	138 Å²	138	75.2 Å²	75.2	71%	0.708	34%	0.343	S	S	*	.	H	α-helix	trans	-63.9	-38.5	173.2	-57.9	165.2	0	0	0	110.2	D349 R350 V351	I347-D349 VanDerWaalsContact C-N 3.31Å; I347-D349 PolarHBondContact O-N 3.1Å; I347-R350 WeakPolarHBondContact O-CB 3.31Å; I347-R350 PolarHBondContact O-N 2.76Å; I347-V351 HydrophobicContact CG2-CG2 4.43Å; I347-V351 WeakPolarHBondContact O-CG2 3.41Å; I347-V351 PolarHBondContact O-N 2.75Å
348	M	91.2	Very high	90.1	Very high	115 Å²	115	81 Å²	81	57%	0.567	37%	0.369	S	S	*	.	H	α-helix	trans	-62.9	-37.4	176.8	-66.5	-56.5	-68.5	0	0	112.2	S346 R350 V351 R352	S346-M348 VanDerWaalsContact C-N 3.28Å; S346-M348 PolarHBondContact O-N 3.04Å; S346-M348 PolarHBondContact OG-N 2.87Å; M348-R350 VanDerWaalsContact C-N 3.34Å; M348-V351 PolarHBondContact O-N 3.03Å; M348-R352 WeakPolarHBondContact O-CB 3.32Å; M348-R352 WeakPolarHBondContact O-CG 3.39Å; M348-R352 PolarHBondContact O-N 2.95Å
349	D	91.6	Very high	89.5	Confident	13 Å²	13	78.4 Å²	78.4	7%	0.07	36%	0.364	C	S	.	.	H	α-helix	trans	-64.4	-40.2	175.4	-63.4	-47.8	0	0	0	111.3	F327 I331 R343 V345 S346 I347 R352 A353	F327-D349 HydrophobicContact CE1-CB 3.86Å; I331-D349 HydrophobicContact CD1-CB 4Å; R343-D349 IonicContact NH2-OD1 3.8Å; R343-D349 PolarHBondContact NH2-OD1 3Å; R343-D349 IonicContact NH2-OD2 3.96Å; R343-D349 PolarHBondContact NH2-OD2 2.88Å; V345-D349 HydrophobicContact CG1-CB 4.46Å; S346-D349 WeakPolarHBondContact CB-OD2 3.39Å; S346-D349 PolarHBondContact N-OD2 3.44Å; S346-D349 VanDerWaalsContact N-OD2 3.09Å; S346-D349 PolarHBondContact O-N 2.94Å; S346-D349 PolarHBondContact OG-N 3.42Å; S346-D349 VanDerWaalsContact OG-N 3.07Å; S346-D349 PolarHBondContact OG-OD2 3.31Å; I347-D349 VanDerWaalsContact C-N 3.31Å; I347-D349 PolarHBondContact O-N 3.1Å; D349-R352 PolarHBondContact O-N 3.25Å; D349-A353 WeakPolarHBondContact O-CB 3.36Å; D349-A353 PolarHBondContact O-N 3.44Å
350	R	90.8	Very high	88.9	Confident	78 Å²	78	78.7 Å²	78.7	29%	0.294	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-44.6	176.2	-69.2	162.6	169.7	-100.3	-6.4	112.2	I331 K335 L337 V345 S346 I347 M348 A353 N354	I331-R350 HydrophobicContact CG2-CB 4.3Å; I331-R350 HydrophobicContact CG2-CG 3.71Å; K335-R350 PolarHBondContact O-NH1 3.1Å; K335-R350 PolarHBondContact O-NH2 3.49Å; L337-R350 PolarHBondContact O-NH2 2.84Å; V345-R350 HydrophobicContact CG1-CG 3.89Å; S346-R350 PolarHBondContact O-N 2.82Å; I347-R350 WeakPolarHBondContact O-CB 3.31Å; I347-R350 PolarHBondContact O-N 2.76Å; M348-R350 VanDerWaalsContact C-N 3.34Å; R350-A353 PolarHBondContact O-N 3.02Å; R350-N354 PolarHBondContact O-N 3.19Å
351	V	87.3	Confident	88.3	Confident	63 Å²	63	80 Å²	80	38%	0.382	38%	0.376	S	S	.	.	H	α-helix	trans	-60.7	-50.6	175.5	172.6	0	0	0	0	109.3	I347 M348 A353 N354 L355	I347-V351 HydrophobicContact CG2-CG2 4.43Å; I347-V351 WeakPolarHBondContact O-CG2 3.41Å; I347-V351 PolarHBondContact O-N 2.75Å; M348-V351 PolarHBondContact O-N 3.03Å; V351-A353 VanDerWaalsContact C-N 3.32Å; V351-A353 PolarHBondContact O-N 3.07Å; V351-N354 PolarHBondContact O-N 3.25Å; V351-L355 HydrophobicContact CG1-CD1 3.59Å; V351-L355 HydrophobicContact CG1-CG 4.04Å; V351-L355 WeakPolarHBondContact O-CG 3.25Å; V351-L355 PolarHBondContact O-N 2.76Å
352	R	86.5	Confident	87.7	Confident	148 Å²	148	82.2 Å²	82.2	56%	0.558	39%	0.386	S	S	*	.	H	α-helix	trans	-57.6	-41.7	177.1	-74.9	175.4	178.7	157.8	-2.2	113.3	M348 D349 Y356	M348-R352 WeakPolarHBondContact O-CB 3.32Å; M348-R352 WeakPolarHBondContact O-CG 3.39Å; M348-R352 PolarHBondContact O-N 2.95Å; D349-R352 PolarHBondContact O-N 3.25Å; R352-Y356 WeakPolarHBondContact O-CB 3.28Å; R352-Y356 PolarHBondContact O-N 3.14Å
353	A	88	Confident	87.3	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.2	-47.8	176.4	0	0	0	0	0	111.6	Q328 I331 F332 D349 R350 V351 Y356 Y357	Q328-A353 HydrophobicContact CB-CB 4.07Å; Q328-A353 HydrophobicContact CG-CB 4.49Å; Q328-A353 WeakPolarHBondContact O-CB 3.46Å; I331-A353 HydrophobicContact CB-CB 4.18Å; I331-A353 HydrophobicContact CG2-CB 3.93Å; F332-A353 HydrophobicContact CB-CB 4.25Å; D349-A353 WeakPolarHBondContact O-CB 3.36Å; D349-A353 PolarHBondContact O-N 3.44Å; R350-A353 PolarHBondContact O-N 3.02Å; V351-A353 VanDerWaalsContact C-N 3.32Å; V351-A353 PolarHBondContact O-N 3.07Å; A353-Y356 PolarHBondContact O-N 2.92Å; A353-Y357 WeakPolarHBondContact O-CD2 3.4Å; A353-Y357 PolarHBondContact O-N 2.66Å
354	N	87	Confident	86.9	Confident	61 Å²	61	77 Å²	77	33%	0.326	37%	0.368	S	S	.	.	H	α-helix	trans	-62.2	-46.5	176.4	-72.5	-13.8	0	0	0	111.6	F332 R350 V351 Y356 Y357 E358	F332-N354 WeakPolarHBondContact CD2-OD1 3.42Å; R350-N354 PolarHBondContact O-N 3.19Å; V351-N354 PolarHBondContact O-N 3.25Å; N354-Y356 PolarHBondContact O-N 3.34Å; N354-Y357 PolarHBondContact O-N 3.03Å; N354-E358 CarbonylContact O-C 3.46Å; N354-E358 VanDerWaalsContact O-C 3.3Å; N354-E358 VanDerWaalsContact O-CA 3.32Å; N354-E358 WeakPolarHBondContact O-CA 3.48Å; N354-E358 PolarHBondContact O-N 3.03Å
355	L	82.6	Confident	86.5	Confident	57 Å²	57	67.2 Å²	67.2	30%	0.298	33%	0.331	S	S	.	.	H	α-helix	trans	-65.2	-25.8	179.8	-60.5	172.4	0	0	0	112.7	V351 P359 T360 Q363	V351-L355 HydrophobicContact CG1-CD1 3.59Å; V351-L355 HydrophobicContact CG1-CG 4.04Å; V351-L355 WeakPolarHBondContact O-CG 3.25Å; V351-L355 PolarHBondContact O-N 2.76Å; L355-P359 VanDerWaalsContact O-CA 3.24Å; L355-P359 WeakPolarHBondContact O-CA 3.42Å; L355-P359 VanDerWaalsContact O-CB 3.3Å; L355-P359 WeakPolarHBondContact O-CB 3.38Å; L355-T360 HydrophobicContact CD2-CG2 4.32Å; L355-Q363 VanDerWaalsContact CD1-NE2 3.28Å; L355-Q363 VanDerWaalsContact CD2-OE1 3.26Å
356	Y	83.4	Confident	86.2	Confident	132 Å²	132	72 Å²	72	52%	0.518	35%	0.348	S	S	.	.	H	α-helix	trans	-74.6	-41.9	177.5	-175.6	-93.9	0	0	0	112.6	N325 R352 A353 N354	N325-Y356 WeakPolarHBondContact ND2-CE2 3.22Å; N325-Y356 PolarHBondContact ND2-OH 3.37Å; N325-Y356 VanDerWaalsContact ND2-OH 3.12Å; R352-Y356 WeakPolarHBondContact O-CB 3.28Å; R352-Y356 PolarHBondContact O-N 3.14Å; A353-Y356 PolarHBondContact O-N 2.92Å; N354-Y356 PolarHBondContact O-N 3.34Å
357	Y	82.8	Confident	86	Confident	69 Å²	69	74 Å²	74	27%	0.271	35%	0.352	S	S	.	.	H	α-helix	trans	-92.9	-29.9	-178.1	-71.6	-75.7	0	0	0	113.6	R329 F332 A353 N354	R329-Y357 WeakPolarHBondContact CA-OH 3.05Å; R329-Y357 HydrophobicContact CB-CE2 4.28Å; R329-Y357 WeakPolarHBondContact CB-OH 3.43Å; R329-Y357 VanDerWaalsContact CG-OH 3.26Å; R329-Y357 WeakPolarHBondContact CG-OH 3.41Å; R329-Y357 PolarHBondContact NE-OH 3.13Å; R329-Y357 VanDerWaalsContact NE-OH 3.07Å; F332-Y357 HydrophobicContact CB-CD2 3.63Å; F332-Y357 HydrophobicContact CB-CE2 4.01Å; F332-Y357 HydrophobicContact CB-CG 4.49Å; F332-Y357 HydrophobicContact CD1-CD1 4.43Å; F332-Y357 AromaticContact CD1-CD2 3.75Å; F332-Y357 HydrophobicContact CD1-CD2 3.75Å; F332-Y357 HydrophobicContact CD1-CE2 4.44Å; F332-Y357 AromaticContact CD1-CG 3.76Å; F332-Y357 HydrophobicContact CD1-CG 3.76Å; F332-Y357 AromaticContact CD2-CD2 3.98Å; F332-Y357 HydrophobicContact CD2-CD2 3.98Å; F332-Y357 HydrophobicContact CD2-CG 4.24Å; F332-Y357 HydrophobicContact CE1-CD2 4.41Å; F332-Y357 AromaticContact CE1-CG 3.99Å; F332-Y357 HydrophobicContact CE1-CG 3.99Å; F332-Y357 HydrophobicContact CE2-CG 4.44Å; F332-Y357 AromaticContact CG-CD2 3.5Å; F332-Y357 HydrophobicContact CG-CD2 3.5Å; F332-Y357 VanDerWaalsContact CG-CD2 3.5Å; F332-Y357 HydrophobicContact CG-CE2 4.28Å; F332-Y357 AromaticContact CG-CG 3.9Å; F332-Y357 HydrophobicContact CG-CG 3.9Å; F332-Y357 HydrophobicContact CZ-CG 4.33Å; A353-Y357 WeakPolarHBondContact O-CD2 3.4Å; A353-Y357 PolarHBondContact O-N 2.66Å; N354-Y357 PolarHBondContact O-N 3.03Å
358	E	82.8	Confident	85.9	Confident	122 Å²	122	68.8 Å²	68.8	57%	0.57	33%	0.326	S	S	*	.	S	Bend	trans	-130.2	67.5	178.8	-67.6	176.9	175.5	0	0	109.1	F332 N354	F332-E358 HydrophobicContact CE2-CG 4.01Å; F332-E358 HydrophobicContact CZ-CG 3.93Å; N354-E358 CarbonylContact O-C 3.46Å; N354-E358 VanDerWaalsContact O-C 3.3Å; N354-E358 VanDerWaalsContact O-CA 3.32Å; N354-E358 WeakPolarHBondContact O-CA 3.48Å; N354-E358 PolarHBondContact O-N 3.03Å
359	P	81	Confident	85.8	Confident	62 Å²	62	64.3 Å²	64.3	40%	0.403	30%	0.303	S	S	.	.			trans	-63.9	142.7	178.9	26.6	-34.1	0	0	0	111	L355 V364	L355-P359 VanDerWaalsContact O-CA 3.24Å; L355-P359 WeakPolarHBondContact O-CA 3.42Å; L355-P359 VanDerWaalsContact O-CB 3.3Å; L355-P359 WeakPolarHBondContact O-CB 3.38Å; P359-V364 HydrophobicContact CB-CG2 3.92Å; P359-V364 HydrophobicContact CG-CG2 3.8Å
360	T	84.7	Confident	85.7	Confident	68 Å²	68	69.3 Å²	69.3	42%	0.417	32%	0.321	S	S	.	.			trans	-67.9	153.5	172	57.9	0	0	0	0	110.8	L355 E362 Q363 V364	L355-T360 HydrophobicContact CD2-CG2 4.32Å; T360-E362 PolarHBondContact O-N 2.89Å; T360-Q363 WeakPolarHBondContact O-CB 3.13Å; T360-Q363 PolarHBondContact O-N 3.4Å; T360-Q363 VanDerWaalsContact OG1-CD 3.26Å; T360-Q363 VanDerWaalsContact OG1-CG 3.27Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.32Å; T360-Q363 PolarHBondContact OG1-N 3.19Å; T360-Q363 PolarHBondContact OG1-OE1 2.82Å; T360-Q363 VanDerWaalsContact OG1-OE1 3.12Å; T360-V364 PolarHBondContact O-N 3.09Å
361	L	82.1	Confident	85.5	Confident	27 Å²	27	68.1 Å²	68.1	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-55.2	-38.7	178.2	-78.3	177.7	0	0	0	113	Q363 V364 A365 L533 E534 Y537 L605 I609	L361-Q363 VanDerWaalsContact C-N 3.32Å; L361-Q363 PolarHBondContact O-N 2.83Å; L361-V364 PolarHBondContact O-N 3.44Å; L361-A365 WeakPolarHBondContact O-CB 3.38Å; L361-A365 PolarHBondContact O-N 3.13Å; L361-L533 HydrophobicContact CD1-CB 4Å; L361-L533 HydrophobicContact CD1-CD1 3.69Å; L361-E534 HydrophobicContact CD2-CG 4.32Å; L361-E534 WeakPolarHBondContact CD2-OE1 3.41Å; L361-Y537 HydrophobicContact CB-CE2 4.31Å; L361-L605 HydrophobicContact CD1-CD2 3.48Å; L361-L605 VanDerWaalsContact CD1-CD2 3.48Å; L361-L605 HydrophobicContact CD1-CG 4.19Å; L361-L605 HydrophobicContact CG-CD2 4.26Å; L361-I609 HydrophobicContact CD1-CD1 3.73Å
362	E	82.2	Confident	85.6	Confident	71 Å²	71	65.1 Å²	65.1	33%	0.332	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-37.4	177.2	-169.5	-176.1	-155.8	0	0	112	T360 A365 R366 Y537	T360-E362 PolarHBondContact O-N 2.89Å; E362-A365 PolarHBondContact O-N 3.38Å; E362-R366 WeakPolarHBondContact O-CB 3.27Å; E362-R366 VanDerWaalsContact O-CG 3.27Å; E362-R366 WeakPolarHBondContact O-CG 3.45Å; E362-R366 PolarHBondContact O-N 3.4Å; E362-R366 IonicContact OE1-CZ 3.57Å; E362-R366 IonicContact OE1-NE 2.67Å; E362-R366 IonicContact OE1-NH2 3.48Å; E362-R366 PolarHBondContact OE1-NH2 3.03Å; E362-R366 IonicContact OE2-CZ 3.26Å; E362-R366 IonicContact OE2-NH1 2.67Å; E362-R366 PolarHBondContact OE2-NH1 2.89Å; E362-R366 IonicContact OE2-NH2 3.39Å; E362-R366 PolarHBondContact OE2-NH2 3.1Å; E362-Y537 HydrophobicContact CB-CD1 4.2Å; E362-Y537 HydrophobicContact CB-CE1 4.1Å; E362-Y537 HydrophobicContact CG-CD1 3.96Å; E362-Y537 HydrophobicContact CG-CE1 4.07Å
363	Q	84.1	Confident	85.6	Confident	56 Å²	56	61 Å²	61	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-71	-39.4	176.4	-75.1	169.7	-23.4	0	0	112.6	L355 T360 L361 A365 R366 E367	L355-Q363 VanDerWaalsContact CD1-NE2 3.28Å; L355-Q363 VanDerWaalsContact CD2-OE1 3.26Å; T360-Q363 WeakPolarHBondContact O-CB 3.13Å; T360-Q363 PolarHBondContact O-N 3.4Å; T360-Q363 VanDerWaalsContact OG1-CD 3.26Å; T360-Q363 VanDerWaalsContact OG1-CG 3.27Å; T360-Q363 WeakPolarHBondContact OG1-CG 3.32Å; T360-Q363 PolarHBondContact OG1-N 3.19Å; T360-Q363 PolarHBondContact OG1-OE1 2.82Å; T360-Q363 VanDerWaalsContact OG1-OE1 3.12Å; L361-Q363 VanDerWaalsContact C-N 3.32Å; L361-Q363 PolarHBondContact O-N 2.83Å; Q363-A365 VanDerWaalsContact C-N 3.31Å; Q363-R366 PolarHBondContact O-N 3.41Å; Q363-E367 WeakPolarHBondContact O-CB 3.3Å; Q363-E367 PolarHBondContact O-N 3.48Å
364	V	85.5	Confident	85.7	Confident	67 Å²	67	66 Å²	66	41%	0.406	32%	0.317	S	S	.	.	H	α-helix	trans	-58.8	-47.7	173.1	176.7	0	0	0	0	109.5	P359 T360 L361 R366 E367 D368	P359-V364 HydrophobicContact CB-CG2 3.92Å; P359-V364 HydrophobicContact CG-CG2 3.8Å; T360-V364 PolarHBondContact O-N 3.09Å; L361-V364 PolarHBondContact O-N 3.44Å; V364-R366 PolarHBondContact O-N 3.31Å; V364-E367 PolarHBondContact O-N 3.41Å; V364-D368 WeakPolarHBondContact O-CB 3.42Å; V364-D368 PolarHBondContact O-N 3.17Å
365	A	85.7	Confident	85.8	Confident	3 Å²	3	65.1 Å²	65.1	3%	0.025	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-41.2	177	0	0	0	0	0	112.6	L361 E362 Q363 H369 Q501 Y537 L541	L361-A365 WeakPolarHBondContact O-CB 3.38Å; L361-A365 PolarHBondContact O-N 3.13Å; E362-A365 PolarHBondContact O-N 3.38Å; Q363-A365 VanDerWaalsContact C-N 3.31Å; A365-H369 WeakPolarHBondContact O-CB 3.33Å; A365-H369 PolarHBondContact O-N 3.23Å; A365-Q501 PolarHBondContact O-NE2 3.19Å; A365-Y537 HydrophobicContact CB-CG 4.49Å; A365-L541 HydrophobicContact CB-CD1 3.97Å
366	R	88.3	Confident	85.9	Confident	114 Å²	114	63.2 Å²	63.2	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-63.5	-44.2	176.1	-80.2	179.1	-172	144.5	-1.4	112.9	E362 Q363 V364 H369 R370 L541	E362-R366 WeakPolarHBondContact O-CB 3.27Å; E362-R366 VanDerWaalsContact O-CG 3.27Å; E362-R366 WeakPolarHBondContact O-CG 3.45Å; E362-R366 PolarHBondContact O-N 3.4Å; E362-R366 IonicContact OE1-CZ 3.57Å; E362-R366 IonicContact OE1-NE 2.67Å; E362-R366 IonicContact OE1-NH2 3.48Å; E362-R366 PolarHBondContact OE1-NH2 3.03Å; E362-R366 IonicContact OE2-CZ 3.26Å; E362-R366 IonicContact OE2-NH1 2.67Å; E362-R366 PolarHBondContact OE2-NH1 2.89Å; E362-R366 IonicContact OE2-NH2 3.39Å; E362-R366 PolarHBondContact OE2-NH2 3.1Å; Q363-R366 PolarHBondContact O-N 3.41Å; V364-R366 PolarHBondContact O-N 3.31Å; R366-H369 PolarHBondContact O-N 3.07Å; R366-R370 VanDerWaalsContact O-CB 3.27Å; R366-R370 WeakPolarHBondContact O-CB 3.09Å; R366-R370 PolarHBondContact O-N 3.49Å; R366-L541 HydrophobicContact CB-CD1 4.22Å; R366-L541 HydrophobicContact CG-CD1 3.61Å; R366-L541 HydrophobicContact CG-CD2 3.6Å; R366-L541 HydrophobicContact CG-CG 4.26Å
367	E	88.3	Confident	86	Confident	90 Å²	90	64.1 Å²	64.1	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-43.5	180	-179.8	58.9	-171.1	0	0	110.8	Q363 V364 R370 I371	Q363-E367 WeakPolarHBondContact O-CB 3.3Å; Q363-E367 PolarHBondContact O-N 3.48Å; V364-E367 PolarHBondContact O-N 3.41Å; E367-R370 WeakPolarHBondContact O-CB 3.19Å; E367-R370 PolarHBondContact O-N 2.93Å; E367-R370 IonicContact OE1-CZ 2.65Å; E367-R370 IonicContact OE1-NE 2.7Å; E367-R370 IonicContact OE1-NH2 3.77Å; E367-R370 PolarHBondContact OE1-NH2 2.83Å; E367-R370 IonicContact OE2-CZ 2.73Å; E367-R370 IonicContact OE2-NE 3.7Å; E367-R370 PolarHBondContact OE2-NE 2.78Å; E367-R370 IonicContact OE2-NH2 3.62Å; E367-R370 PolarHBondContact OE2-NH2 3.36Å; E367-I371 HydrophobicContact CG-CD1 4.31Å; E367-I371 WeakPolarHBondContact O-CG1 3.14Å; E367-I371 PolarHBondContact O-N 2.89Å
368	D	87.6	Confident	85.9	Confident	28 Å²	28	65.9 Å²	65.9	15%	0.15	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-44.7	174.1	-176.3	96.2	0	0	0	111.8	V364 R370 I371 N372 Q501 T502	V364-D368 WeakPolarHBondContact O-CB 3.42Å; V364-D368 PolarHBondContact O-N 3.17Å; D368-R370 VanDerWaalsContact C-N 3.32Å; D368-R370 PolarHBondContact O-N 2.89Å; D368-I371 PolarHBondContact O-N 3.2Å; D368-N372 PolarHBondContact O-N 3.48Å; D368-N372 PolarHBondContact O-ND2 3.19Å; D368-N372 VanDerWaalsContact O-ND2 3.12Å; D368-N372 PolarHBondContact OD2-ND2 3.26Å; D368-Q501 VanDerWaalsContact OD2-CD 3.31Å; D368-Q501 PolarHBondContact OD2-NE2 3.03Å; D368-T502 WeakPolarHBondContact OD1-CB 3.32Å; D368-T502 PolarHBondContact OD1-OG1 3.19Å; D368-T502 WeakPolarHBondContact OD2-CA 3.41Å; D368-T502 PolarHBondContact OD2-N 3.14Å; D368-T502 PolarHBondContact OD2-OG1 3.31Å
369	H	89	Confident	85.7	Confident	21 Å²	21	64.1 Å²	64.1	10%	0.097	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-42	175	-174.4	60.4	0	0	0	111.6	A365 R366 I371 N372 L373 L541	A365-H369 WeakPolarHBondContact O-CB 3.33Å; A365-H369 PolarHBondContact O-N 3.23Å; R366-H369 PolarHBondContact O-N 3.07Å; H369-I371 PolarHBondContact O-N 3.48Å; H369-N372 PolarHBondContact O-N 3.37Å; H369-L373 WeakPolarHBondContact NE2-CD1 3.46Å; H369-L373 WeakPolarHBondContact O-CB 3.28Å; H369-L373 WeakPolarHBondContact O-CG 3.48Å; H369-L373 PolarHBondContact O-N 2.82Å; H369-L541 HydrophobicContact CB-CB 4.33Å; H369-L541 HydrophobicContact CB-CD1 4.27Å; H369-L541 PolarHBondContact NE2-O 2.88Å
370	R	89.4	Confident	85.6	Confident	118 Å²	118	67 Å²	67	45%	0.445	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-41.3	177.2	-171.9	-167.4	69.6	72.7	0.3	111.6	R366 E367 D368 L373 L374	R366-R370 VanDerWaalsContact O-CB 3.27Å; R366-R370 WeakPolarHBondContact O-CB 3.09Å; R366-R370 PolarHBondContact O-N 3.49Å; E367-R370 WeakPolarHBondContact O-CB 3.19Å; E367-R370 PolarHBondContact O-N 2.93Å; E367-R370 IonicContact OE1-CZ 2.65Å; E367-R370 IonicContact OE1-NE 2.7Å; E367-R370 IonicContact OE1-NH2 3.77Å; E367-R370 PolarHBondContact OE1-NH2 2.83Å; E367-R370 IonicContact OE2-CZ 2.73Å; E367-R370 IonicContact OE2-NE 3.7Å; E367-R370 PolarHBondContact OE2-NE 2.78Å; E367-R370 IonicContact OE2-NH2 3.62Å; E367-R370 PolarHBondContact OE2-NH2 3.36Å; D368-R370 VanDerWaalsContact C-N 3.32Å; D368-R370 PolarHBondContact O-N 2.89Å; R370-L373 PolarHBondContact O-N 3.25Å; R370-L374 WeakPolarHBondContact O-CB 3.11Å; R370-L374 PolarHBondContact O-N 3.45Å
371	I	88.1	Confident	85.2	Confident	53 Å²	53	69.8 Å²	69.8	27%	0.272	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-47.7	174.7	-69.1	164.8	0	0	0	109.9	E367 D368 H369 L373 L374 H375	E367-I371 HydrophobicContact CG-CD1 4.31Å; E367-I371 WeakPolarHBondContact O-CG1 3.14Å; E367-I371 PolarHBondContact O-N 2.89Å; D368-I371 PolarHBondContact O-N 3.2Å; H369-I371 PolarHBondContact O-N 3.48Å; I371-L373 VanDerWaalsContact C-N 3.35Å; I371-L373 PolarHBondContact O-N 2.85Å; I371-L374 WeakPolarHBondContact O-CB 3.38Å; I371-L374 PolarHBondContact O-N 2.95Å; I371-H375 PolarHBondContact O-CD2 3.33Å; I371-H375 PolarHBondContact O-N 3.47Å; I371-H375 VanDerWaalsContact O-N 3.07Å
372	N	87.9	Confident	85.1	Confident	0 Å²	0	76 Å²	76	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.5	-39.4	177.4	-73.8	-47	0	0	0	112.3	D368 H369 H375 Q376 T502	D368-N372 PolarHBondContact O-N 3.48Å; D368-N372 PolarHBondContact O-ND2 3.19Å; D368-N372 VanDerWaalsContact O-ND2 3.12Å; D368-N372 PolarHBondContact OD2-ND2 3.26Å; H369-N372 PolarHBondContact O-N 3.37Å; N372-H375 PolarHBondContact O-N 3.33Å; N372-Q376 VanDerWaalsContact O-CG 3.3Å; N372-Q376 WeakPolarHBondContact O-CG 3.17Å; N372-Q376 PolarHBondContact O-N 3.23Å; N372-T502 PolarHBondContact ND2-N 3.24Å; N372-T502 PolarHBondContact ND2-OG1 3.44Å; N372-T502 VanDerWaalsContact ND2-OG1 3.07Å
373	L	87.7	Confident	85	Confident	62 Å²	62	79.7 Å²	79.7	33%	0.325	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-42.6	173.4	-76.1	179.1	0	0	0	112.3	H369 R370 I371 H375 Q376 F377	H369-L373 WeakPolarHBondContact NE2-CD1 3.46Å; H369-L373 WeakPolarHBondContact O-CB 3.28Å; H369-L373 WeakPolarHBondContact O-CG 3.48Å; H369-L373 PolarHBondContact O-N 2.82Å; R370-L373 PolarHBondContact O-N 3.25Å; I371-L373 VanDerWaalsContact C-N 3.35Å; I371-L373 PolarHBondContact O-N 2.85Å; L373-H375 VanDerWaalsContact C-N 3.3Å; L373-H375 PolarHBondContact O-N 2.92Å; L373-Q376 PolarHBondContact O-N 2.94Å; L373-Q376 VanDerWaalsContact O-N 3.11Å; L373-F377 WeakPolarHBondContact O-CD2 3.49Å; L373-F377 PolarHBondContact O-N 2.7Å
374	L	89.6	Confident	84.8	Confident	104 Å²	104	79.6 Å²	79.6	55%	0.545	38%	0.383	S	S	.	.	H	α-helix	trans	-58.4	-44.5	177.2	-170.6	80.1	0	0	0	110.8	R370 I371 F377	R370-L374 WeakPolarHBondContact O-CB 3.11Å; R370-L374 PolarHBondContact O-N 3.45Å; I371-L374 WeakPolarHBondContact O-CB 3.38Å; I371-L374 PolarHBondContact O-N 2.95Å; L374-F377 PolarHBondContact O-N 3.07Å
375	H	88.3	Confident	84.5	Confident	43 Å²	43	80.6 Å²	80.6	20%	0.199	39%	0.386	C	S	.	.	H	α-helix	trans	-67.8	-34.2	175	-70.4	-62.5	0	0	0	112.6	I371 N372 L373 F377 T378 Q494 I495	I371-H375 PolarHBondContact O-CD2 3.33Å; I371-H375 PolarHBondContact O-N 3.47Å; I371-H375 VanDerWaalsContact O-N 3.07Å; N372-H375 PolarHBondContact O-N 3.33Å; L373-H375 VanDerWaalsContact C-N 3.3Å; L373-H375 PolarHBondContact O-N 2.92Å; H375-F377 VanDerWaalsContact C-N 3.32Å; H375-F377 PolarHBondContact O-N 2.94Å; H375-T378 PolarHBondContact O-N 3.18Å; H375-T378 PolarHBondContact O-OG1 3.46Å; H375-Q494 WeakPolarHBondContact CB-O 3.38Å; H375-Q494 PolarHBondContact CD2-O 3.33Å; H375-I495 PolarHBondContact ND1-O 3.46Å; H375-I495 VanDerWaalsContact ND1-O 3.1Å
376	Q	85.5	Confident	84.1	Confident	17 Å²	17	80.8 Å²	80.8	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-66.4	-32.5	174.6	-75.8	174.3	49.8	0	0	112.7	N372 L373 T378 K379 Q381 G497 F499	N372-Q376 VanDerWaalsContact O-CG 3.3Å; N372-Q376 WeakPolarHBondContact O-CG 3.17Å; N372-Q376 PolarHBondContact O-N 3.23Å; L373-Q376 PolarHBondContact O-N 2.94Å; L373-Q376 VanDerWaalsContact O-N 3.11Å; Q376-T378 PolarHBondContact O-N 3.19Å; Q376-K379 PolarHBondContact O-N 3.33Å; Q376-K379 VanDerWaalsContact O-N 3.14Å; Q376-Q381 PolarHBondContact O-NE2 3.38Å; Q376-G497 VanDerWaalsContact CG-O 3.24Å; Q376-G497 WeakPolarHBondContact CG-O 3.24Å; Q376-F499 PolarHBondContact NE2-O 3.4Å
377	F	84.8	Confident	83.4	Confident	152 Å²	152	79.3 Å²	79.3	67%	0.667	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.9	176.9	-78.5	-60.5	0	0	0	114	L373 L374 H375 K379	L373-F377 WeakPolarHBondContact O-CD2 3.49Å; L373-F377 PolarHBondContact O-N 2.7Å; L374-F377 PolarHBondContact O-N 3.07Å; H375-F377 VanDerWaalsContact C-N 3.32Å; H375-F377 PolarHBondContact O-N 2.94Å; F377-K379 PolarHBondContact O-N 3.37Å
378	T	82	Confident	82.6	Confident	106 Å²	106	78.2 Å²	78.2	65%	0.65	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-10.7	173.2	71.9	0	0	0	0	112.3	H375 Q376	H375-T378 PolarHBondContact O-N 3.18Å; H375-T378 PolarHBondContact O-OG1 3.46Å; Q376-T378 PolarHBondContact O-N 3.19Å
379	K	78.3	Confident	81.7	Confident	84 Å²	84	83.4 Å²	83.4	37%	0.365	42%	0.423	S	S	.	.	S	Bend	trans	-101.3	152.8	178.8	-76.9	-173	163.3	171.8	0	112.8	Q376 F377 Q381 D496 E498	Q376-K379 PolarHBondContact O-N 3.33Å; Q376-K379 VanDerWaalsContact O-N 3.14Å; F377-K379 PolarHBondContact O-N 3.37Å; K379-Q381 PolarHBondContact O-N 3.13Å; K379-Q381 PolarHBondContact O-NE2 3.04Å; K379-D496 WeakPolarHBondContact CD-O 3.2Å; K379-D496 WeakPolarHBondContact CE-O 3.38Å; K379-D496 PolarHBondContact NZ-O 3.03Å; K379-E498 IonicContact NZ-OE1 3Å
380	P	79.4	Confident	81	Confident	122 Å²	122	86.1 Å²	86.1	79%	0.792	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-62	128.9	171.5	26.1	-33.3	0	0	0	110.2	R382	P380-R382 PolarHBondContact O-N 3.35Å
381	Q	75	Confident	79.8	Confident	127 Å²	127	88.3 Å²	88.3	59%	0.593	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-72.3	126.9	178.4	-59.9	-58.4	-39.4	0	0	109.4	Q376 K379	Q376-Q381 PolarHBondContact O-NE2 3.38Å; K379-Q381 PolarHBondContact O-N 3.13Å; K379-Q381 PolarHBondContact O-NE2 3.04Å
382	R	81.2	Confident	79	Confident	158 Å²	158	92.2 Å²	92.2	60%	0.596	48%	0.478	S	S	*	.			trans	-123.4	148.4	172.5	67.9	178	-173.2	171.2	2.7	109.5	P380 R384 E518	P380-R382 PolarHBondContact O-N 3.35Å; R382-R384 PolarHBondContact O-N 2.83Å; R382-E518 IonicContact CZ-OE1 2.63Å; R382-E518 IonicContact CZ-OE2 2.63Å; R382-E518 IonicContact NE-OE1 3.34Å; R382-E518 IonicContact NH2-OE1 3.82Å; R382-E518 PolarHBondContact NH2-OE1 3.24Å; R382-E518 IonicContact NH2-OE2 3.32Å; R382-E518 PolarHBondContact NH2-OE2 2.83Å
383	L	79.9	Confident	78.4	Confident	149 Å²	149	95.4 Å²	95.4	78%	0.78	50%	0.498	S	S	*	.			trans	-64.2	125.9	167.1	-173.9	65.6	0	0	0	108	T387	L383-T387 HydrophobicContact CD1-CG2 3.86Å
384	R	78.6	Confident	77.9	Confident	54 Å²	54	94.6 Å²	94.6	20%	0.204	50%	0.496	C	S	.	.			trans	-90.1	148.7	-178.3	-62.4	-172.8	176.1	134.5	-1.7	110.1	R382 C386 T387 W514 E518	R382-R384 PolarHBondContact O-N 2.83Å; R384-C386 PolarHBondContact O-N 3.32Å; R384-T387 VanDerWaalsContact O-CB 3.25Å; R384-T387 WeakPolarHBondContact O-CB 3.2Å; R384-T387 PolarHBondContact O-N 3.27Å; R384-T387 PolarHBondContact O-OG1 3.45Å; R384-W514 VanDerWaalsContact CZ-CD2 3.44Å; R384-W514 VanDerWaalsContact NH1-CD2 3.33Å; R384-E518 HydrophobicContact CB-CG 4.41Å; R384-E518 WeakPolarHBondContact CG-OE1 3.24Å
385	D	80	Confident	77.5	Confident	87 Å²	87	90.3 Å²	90.3	47%	0.465	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.2	179.1	-61.2	-44.6	0	0	0	112.9	T387 R522	D385-T387 VanDerWaalsContact C-N 3.26Å; D385-R522 HydrophobicContact CB-CG 4.07Å; D385-R522 IonicContact OD2-CZ 2.86Å; D385-R522 IonicContact OD2-NE 2.71Å; D385-R522 PolarHBondContact OD2-NE 3.42Å; D385-R522 IonicContact OD2-NH2 2.86Å; D385-R522 PolarHBondContact OD2-NH2 2.99Å
386	C	77.1	Confident	77.4	Confident	8 Å²	8	91.5 Å²	91.5	5%	0.054	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.9	172.8	61.9	0	0	0	0	113.3	R384 L388 Y395 L517 A521	R384-C386 PolarHBondContact O-N 3.32Å; C386-L388 PolarHBondContact O-N 2.86Å; C386-Y395 HydrophobicContact CB-CD2 4.48Å; C386-Y395 HydrophobicContact CB-CG 4.33Å; C386-L517 HydrophobicContact CB-CD2 4.41Å; C386-L517 HydrophobicContact CB-CG 4.33Å; C386-A521 HydrophobicContact CB-CB 3.96Å
387	T	74.1	Confident	77.6	Confident	82 Å²	82	91 Å²	91	50%	0.503	48%	0.483	S	S	.	.			trans	-77.3	103.7	176.6	-54.5	0	0	0	0	108.9	L383 R384 D385	L383-T387 HydrophobicContact CD1-CG2 3.86Å; R384-T387 VanDerWaalsContact O-CB 3.25Å; R384-T387 WeakPolarHBondContact O-CB 3.2Å; R384-T387 PolarHBondContact O-N 3.27Å; R384-T387 PolarHBondContact O-OG1 3.45Å; D385-T387 VanDerWaalsContact C-N 3.26Å
388	L	71.7	Confident	78	Confident	67 Å²	67	84.1 Å²	84.1	35%	0.351	45%	0.452	S	S	.	.			trans	-72.8	154	176.7	-66	178.8	0	0	0	111.2	C386 N390 T393	C386-L388 PolarHBondContact O-N 2.86Å; L388-N390 PolarHBondContact O-N 3.46Å; L388-T393 WeakPolarHBondContact CD1-O 3.35Å
389	P	67.4	Low	78.5	Confident	137 Å²	137	79 Å²	79	89%	0.89	42%	0.421	S	S	*	.	S	Bend	trans	-62	-29.7	-177.6	-21.5	31.7	0	0	0	113.5
390	N	75.2	Confident	79.2	Confident	79 Å²	79	75 Å²	75	42%	0.422	40%	0.404	S	S	.	.			trans	-96.7	122	178.4	-178.6	6	0	0	0	110.2	L388 D392 T393	L388-N390 PolarHBondContact O-N 3.46Å; N390-D392 PolarHBondContact O-N 2.8Å; N390-D392 PolarHBondContact OD1-N 3.31Å; N390-T393 WeakPolarHBondContact CB-OG1 3.45Å; N390-T393 PolarHBondContact O-N 3.42Å; N390-T393 PolarHBondContact O-OG1 2.81Å
391	I	64.1	Low	79.9	Confident	163 Å²	163	69.2 Å²	69.2	84%	0.836	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.4	-179.6	-59.6	169.4	0	0	0	111.3	T393	I391-T393 VanDerWaalsContact C-N 3.3Å; I391-T393 PolarHBondContact O-N 2.89Å
392	D	71.2	Confident	80.6	Confident	136 Å²	136	63.2 Å²	63.2	73%	0.727	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.2	-176.8	-65.9	-33.9	0	0	0	113.3	N390 P394	N390-D392 PolarHBondContact O-N 2.8Å; N390-D392 PolarHBondContact OD1-N 3.31Å; D392-P394 WeakPolarHBondContact O-CD 3.46Å
393	T	74.6	Confident	81	Confident	67 Å²	67	55.7 Å²	55.7	41%	0.411	31%	0.31	S	S	.	.	S	Bend	trans	-116.7	92	-179.5	55.5	0	0	0	0	110.1	L388 N390 I391	L388-T393 WeakPolarHBondContact CD1-O 3.35Å; N390-T393 WeakPolarHBondContact CB-OG1 3.45Å; N390-T393 PolarHBondContact O-N 3.42Å; N390-T393 PolarHBondContact O-OG1 2.81Å; I391-T393 VanDerWaalsContact C-N 3.3Å; I391-T393 PolarHBondContact O-N 2.89Å
394	P	77.2	Confident	81.2	Confident	45 Å²	45	49.9 Å²	49.9	29%	0.292	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-66	161	173.8	26.9	-30.6	0	0	0	110.5	D392 K545	D392-P394 WeakPolarHBondContact O-CD 3.46Å; P394-K545 HydrophobicContact CG-CB 3.93Å; P394-K545 HydrophobicContact CG-CD 4.37Å; P394-K545 HydrophobicContact CG-CG 4.42Å
395	Y	82.3	Confident	81.2	Confident	13 Å²	13	48 Å²	48	5%	0.051	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-56.6	131.4	178.2	179.3	-95.7	0	0	0	111.4	C386 I397 L517 I520 A521 L525	C386-Y395 HydrophobicContact CB-CD2 4.48Å; C386-Y395 HydrophobicContact CB-CG 4.33Å; Y395-I397 HydrophobicContact CD1-CD1 4.31Å; Y395-I397 HydrophobicContact CD1-CG1 3.8Å; Y395-I397 HydrophobicContact CE1-CG1 4.2Å; Y395-I397 PolarHBondContact O-N 2.89Å; Y395-L517 HydrophobicContact CD1-CD1 3.62Å; Y395-L517 HydrophobicContact CD1-CG 4.33Å; Y395-L517 HydrophobicContact CE1-CD1 3.38Å; Y395-L517 HydrophobicContact CE1-CG 4.33Å; Y395-I520 WeakPolarHBondContact OH-CB 3.11Å; Y395-I520 WeakPolarHBondContact OH-CG2 3.17Å; Y395-A521 HydrophobicContact CD2-CB 4Å; Y395-A521 HydrophobicContact CE2-CB 3.47Å; Y395-A521 VanDerWaalsContact CE2-CB 3.47Å; Y395-A521 WeakPolarHBondContact OH-CA 3.47Å; Y395-A521 PolarHBondContact OH-N 3.3Å; Y395-L525 PolarHBondContact OH-O 3.32Å
396	P	85.5	Confident	81.2	Confident	68 Å²	68	44.5 Å²	44.5	44%	0.442	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-69.4	116.1	-172	26.8	-34.8	0	0	0	111.8	A526 G527	P396-A526 HydrophobicContact CB-CB 3.98Å; P396-A526 HydrophobicContact CG-CB 3.94Å; P396-A526 WeakPolarHBondContact O-CA 3.25Å; P396-A526 WeakPolarHBondContact O-CB 3.36Å; P396-G527 PolarHBondContact O-N 3.32Å
397	I	90.4	Very high	81.4	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	131.9	174.7	-59.1	177.5	0	0	0	108.9	Y395 L426 L517 G527 V529 L544 P546 R547	Y395-I397 HydrophobicContact CD1-CD1 4.31Å; Y395-I397 HydrophobicContact CD1-CG1 3.8Å; Y395-I397 HydrophobicContact CE1-CG1 4.2Å; Y395-I397 PolarHBondContact O-N 2.89Å; I397-L426 HydrophobicContact CD1-CD2 4.25Å; I397-L426 HydrophobicContact CG2-CD2 4.28Å; I397-L517 HydrophobicContact CD1-CD1 3.84Å; I397-L517 HydrophobicContact CD1-CD2 4.23Å; I397-L517 HydrophobicContact CG1-CD1 4.25Å; I397-G527 CarbonylContact C-O 3.34Å; I397-G527 WeakPolarHBondContact CA-O 3.48Å; I397-V529 HydrophobicContact CG2-CG1 3.84Å; I397-L544 HydrophobicContact CD1-CB 4.04Å; I397-L544 HydrophobicContact CD1-CD1 3.88Å; I397-L544 HydrophobicContact CD1-CD2 4.43Å; I397-L544 HydrophobicContact CD1-CG 4.34Å; I397-P546 HydrophobicContact CB-CB 3.95Å; I397-P546 HydrophobicContact CG2-CB 3.94Å; I397-P546 CarbonylContact O-C 3.6Å; I397-P546 VanDerWaalsContact O-CA 3.31Å; I397-P546 WeakPolarHBondContact O-CA 3.25Å; I397-P546 WeakPolarHBondContact O-CB 3.45Å; I397-R547 PolarHBondContact O-N 2.99Å
398	L	92.5	Very high	82	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.7	169.7	-175.3	69	0	0	0	109.3	F423 G527 I528 V529 R547 I549 I637	L398-F423 HydrophobicContact CB-CE1 4.22Å; L398-G527 PolarHBondContact N-O 2.97Å; L398-I528 HydrophobicContact CB-CG1 4.26Å; L398-I528 HydrophobicContact CD2-CD1 4.26Å; L398-I528 HydrophobicContact CD2-CG1 4.25Å; L398-I528 CarbonylContact O-C 3.56Å; L398-I528 WeakPolarHBondContact O-CA 3.33Å; L398-V529 PolarHBondContact O-N 3.19Å; L398-R547 CarbonylContact C-O 3.43Å; L398-R547 WeakPolarHBondContact CA-O 3.26Å; L398-R547 HydrophobicContact CD1-CB 4.12Å; L398-I549 HydrophobicContact CD1-CD1 3.8Å; L398-I549 HydrophobicContact CD1-CG1 4.28Å; L398-I637 HydrophobicContact CD2-CD1 3.57Å; L398-I637 HydrophobicContact CD2-CG1 3.86Å
399	A	92.9	Very high	82.5	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.6	-179.4	0	0	0	0	0	111.1	I401 V529 P546 R547 S548 I549	A399-I401 HydrophobicContact CB-CD1 4.15Å; A399-I401 HydrophobicContact CB-CG1 4.35Å; A399-V529 WeakPolarHBondContact CA-O 3.36Å; A399-V529 HydrophobicContact CB-CG1 3.78Å; A399-P546 HydrophobicContact CB-CB 3.99Å; A399-P546 HydrophobicContact CB-CG 4.28Å; A399-R547 PolarHBondContact N-O 3.13Å; A399-S548 VanDerWaalsContact O-CA 3.3Å; A399-S548 WeakPolarHBondContact O-CA 3.48Å; A399-I549 PolarHBondContact O-N 3.05Å
400	I	93.6	Very high	83.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.7	172.7	-55.6	173.1	0	0	0	108	K408 L411 L415 I528 V529 V530 G531 L633	I400-K408 HydrophobicContact CG2-CB 4.48Å; I400-K408 HydrophobicContact CG2-CD 4.27Å; I400-K408 HydrophobicContact CG2-CG 4.36Å; I400-L411 HydrophobicContact CD1-CB 4.44Å; I400-L415 HydrophobicContact CD1-CD1 3.96Å; I400-I528 HydrophobicContact CD1-CG2 4.06Å; I400-I528 HydrophobicContact CG1-CG2 4.46Å; I400-V529 PolarHBondContact N-O 3.15Å; I400-V530 HydrophobicContact CB-CG2 4.21Å; I400-V530 HydrophobicContact CD1-CG2 4.44Å; I400-V530 WeakPolarHBondContact O-CA 3.46Å; I400-G531 PolarHBondContact O-N 3.04Å; I400-G531 VanDerWaalsContact O-N 3.08Å; I400-L633 HydrophobicContact CD1-CD2 4.09Å
401	I	93.2	Very high	83.8	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.4	-174.2	-55.2	-59.2	0	0	0	109.8	A399 G531 L533 L535 L536 I549 L550 C551 Y606 F617	A399-I401 HydrophobicContact CB-CD1 4.15Å; A399-I401 HydrophobicContact CB-CG1 4.35Å; I401-G531 WeakPolarHBondContact CA-O 3.17Å; I401-L533 HydrophobicContact CG2-CD2 4.11Å; I401-L535 HydrophobicContact CD1-CD2 4.38Å; I401-L536 HydrophobicContact CD1-CB 3.9Å; I401-L536 HydrophobicContact CG1-CB 4.08Å; I401-L536 HydrophobicContact CG1-CD2 4.33Å; I401-I549 PolarHBondContact N-O 3.26Å; I401-L550 HydrophobicContact CG2-CD1 4.34Å; I401-L550 CarbonylContact O-C 3.57Å; I401-L550 WeakPolarHBondContact O-CA 3.37Å; I401-C551 PolarHBondContact O-N 3.23Å; I401-Y606 HydrophobicContact CG2-CE1 4.29Å; I401-F617 HydrophobicContact CB-CE1 4.22Å; I401-F617 HydrophobicContact CG2-CE1 4.09Å
402	G	90.8	Very high	85	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.			trans	170.6	170.3	173.7	0	0	0	0	0	110.6	K408 G531 C551 Y606	G402-K408 VanDerWaalsContact O-CE 3.3Å; G402-K408 WeakPolarHBondContact O-CE 3.37Å; G402-K408 PolarHBondContact O-NZ 3.29Å; G402-G531 PolarHBondContact N-O 3.33Å; G402-G531 VanDerWaalsContact N-O 3.16Å; G402-C551 WeakPolarHBondContact CA-O 3.46Å; G402-Y606 PolarHBondContact O-OH 3.24Å
403	P	89	Confident	85.8	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.			trans	-76.6	171.2	-175.7	37.4	-44.5	0	0	0	112.9	I406 K408 Y559 T602 Y606	P403-I406 HydrophobicContact CG-CD1 3.58Å; P403-I406 HydrophobicContact CG-CG1 4.48Å; P403-K408 PolarHBondContact O-NZ 3.32Å; P403-Y559 WeakPolarHBondContact CB-OH 3.35Å; P403-Y559 HydrophobicContact CG-CE1 4.39Å; P403-Y559 HydrophobicContact CG-CE2 4.25Å; P403-Y559 WeakPolarHBondContact CG-OH 3.15Å; P403-T602 HydrophobicContact CG-CG2 3.88Å; P403-Y606 HydrophobicContact CB-CE2 3.81Å; P403-Y606 HydrophobicContact CG-CE2 4.38Å
404	V	83.6	Confident	86.2	Confident	27 Å²	27	23.4 Å²	23.4	16%	0.164	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	135.2	-175	-180	0	0	0	0	111.1	E532 Y559 Y598	V404-E532 VanDerWaalsContact CG2-OE1 3.25Å; V404-E532 WeakPolarHBondContact CG2-OE1 3.36Å; V404-Y559 WeakPolarHBondContact O-CE2 3.33Å; V404-Y559 PolarHBondContact O-OH 2.81Å; V404-Y598 HydrophobicContact CB-CE1 4.33Å; V404-Y598 HydrophobicContact CG2-CE1 3.81Å
405	G	79	Confident	86.6	Confident	16 Å²	16	21.3 Å²	21.3	17%	0.165	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	111	-17.4	175.9	0	0	0	0	0	114.8	N407 V562	G405-N407 PolarHBondContact O-N 3.06Å; G405-V562 WeakPolarHBondContact O-CG1 3.34Å
406	I	79.9	Confident	86.9	Confident	13 Å²	13	21.5 Å²	21.5	7%	0.067	11%	0.114	C	C	.	.	S	Bend	trans	-70.2	15.6	-178.1	-68	175.5	0	0	0	114.2	P403 K408 C551 Y559 S623	P403-I406 HydrophobicContact CG-CD1 3.58Å; P403-I406 HydrophobicContact CG-CG1 4.48Å; I406-K408 HydrophobicContact CB-CG 4.04Å; I406-K408 HydrophobicContact CG2-CG 3.87Å; I406-K408 PolarHBondContact O-N 3.25Å; I406-C551 VanDerWaalsContact CD1-O 3.3Å; I406-C551 WeakPolarHBondContact CD1-O 3.42Å; I406-C551 HydrophobicContact CG2-CB 3.82Å; I406-Y559 HydrophobicContact CG1-CE2 4.28Å; I406-S623 WeakPolarHBondContact CD1-OG 3.33Å; I406-S623 WeakPolarHBondContact CG1-OG 3.38Å
407	N	80.6	Confident	86.9	Confident	74 Å²	74	24.2 Å²	24.2	40%	0.396	12%	0.12	S	C	.	.			trans	51.7	23.7	-176.5	-70	-25.6	0	0	0	115	G405 R409 Q410 L411 T626	G405-N407 PolarHBondContact O-N 3.06Å; N407-R409 PolarHBondContact O-N 3.15Å; N407-Q410 HydrophobicContact CB-CB 4.41Å; N407-Q410 WeakPolarHBondContact O-CA 3.46Å; N407-Q410 WeakPolarHBondContact O-CB 3.49Å; N407-Q410 PolarHBondContact O-N 2.93Å; N407-L411 PolarHBondContact O-N 2.67Å; N407-L411 VanDerWaalsContact O-N 3.14Å; N407-T626 HydrophobicContact CB-CG2 4.46Å
408	K	86.9	Confident	86.6	Confident	19 Å²	19	26.6 Å²	26.6	8%	0.083	13%	0.131	C	C	.	.	H	α-helix	trans	-51.7	-32.2	179.1	-56.3	-172	-59.7	-80.1	0	113.5	I400 G402 P403 I406 L411 R412 V530 G531	I400-K408 HydrophobicContact CG2-CB 4.48Å; I400-K408 HydrophobicContact CG2-CD 4.27Å; I400-K408 HydrophobicContact CG2-CG 4.36Å; G402-K408 VanDerWaalsContact O-CE 3.3Å; G402-K408 WeakPolarHBondContact O-CE 3.37Å; G402-K408 PolarHBondContact O-NZ 3.29Å; P403-K408 PolarHBondContact O-NZ 3.32Å; I406-K408 HydrophobicContact CB-CG 4.04Å; I406-K408 HydrophobicContact CG2-CG 3.87Å; I406-K408 PolarHBondContact O-N 3.25Å; K408-L411 WeakPolarHBondContact O-CB 3.36Å; K408-L411 PolarHBondContact O-N 3.07Å; K408-R412 PolarHBondContact O-N 2.89Å; K408-V530 HydrophobicContact CB-CB 4.43Å; K408-V530 HydrophobicContact CB-CG1 3.26Å; K408-V530 HydrophobicContact CB-CG2 4.3Å; K408-V530 HydrophobicContact CD-CG1 3.97Å; K408-V530 VanDerWaalsContact CE-CG1 3.49Å; K408-V530 HydrophobicContact CG-CG1 4.24Å; K408-V530 WeakPolarHBondContact O-CG2 3.41Å; K408-G531 WeakPolarHBondContact CE-O 3.33Å
409	R	83.7	Confident	86.2	Confident	47 Å²	47	27.1 Å²	27.1	18%	0.177	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-45	173.8	-175.5	179.8	68.8	84.1	-1.9	112.4	N407 K413 N474 D481	N407-R409 PolarHBondContact O-N 3.15Å; R409-K413 PolarHBondContact O-N 3.47Å; R409-N474 PolarHBondContact NH2-O 2.74Å; R409-D481 WeakPolarHBondContact CD-OD1 3.09Å; R409-D481 VanDerWaalsContact CG-OD1 3.26Å; R409-D481 WeakPolarHBondContact CG-OD1 3.22Å; R409-D481 IonicContact CZ-OD1 3.83Å; R409-D481 IonicContact NE-OD1 3.89Å; R409-D481 IonicContact NH1-OD1 2.94Å; R409-D481 PolarHBondContact NH1-OD1 2.81Å; R409-D481 IonicContact NH1-OD2 3.9Å
410	Q	83.2	Confident	85.8	Confident	53 Å²	53	31.5 Å²	31.5	25%	0.248	16%	0.157	C	C	.	.	H	α-helix	trans	-67.5	-43.1	176	-70.5	178.5	-22.3	0	0	110.2	N407 R412 K413 F414 N474	N407-Q410 HydrophobicContact CB-CB 4.41Å; N407-Q410 WeakPolarHBondContact O-CA 3.46Å; N407-Q410 WeakPolarHBondContact O-CB 3.49Å; N407-Q410 PolarHBondContact O-N 2.93Å; Q410-R412 VanDerWaalsContact C-N 3.34Å; Q410-R412 PolarHBondContact O-N 2.63Å; Q410-K413 PolarHBondContact O-N 3.24Å; Q410-K413 VanDerWaalsContact O-N 3.07Å; Q410-F414 HydrophobicContact CB-CD2 4.26Å; Q410-F414 HydrophobicContact CB-CE2 4.19Å; Q410-F414 WeakPolarHBondContact O-CD2 3.36Å; Q410-F414 PolarHBondContact O-N 2.97Å; Q410-N474 PolarHBondContact NE2-OD1 3.01Å
411	L	86.2	Confident	85.4	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-54.5	-47.7	177	-61.6	174.6	0	0	0	112.7	I400 N407 K408 K413 F414 L415 L629 F630 L633	I400-L411 HydrophobicContact CD1-CB 4.44Å; N407-L411 PolarHBondContact O-N 2.67Å; N407-L411 VanDerWaalsContact O-N 3.14Å; K408-L411 WeakPolarHBondContact O-CB 3.36Å; K408-L411 PolarHBondContact O-N 3.07Å; L411-K413 PolarHBondContact O-N 3.26Å; L411-F414 PolarHBondContact O-N 3.39Å; L411-L415 WeakPolarHBondContact O-CB 3.48Å; L411-L415 WeakPolarHBondContact O-CG 3.49Å; L411-L415 PolarHBondContact O-N 3.09Å; L411-L629 HydrophobicContact CD1-CD2 3.17Å; L411-L629 HydrophobicContact CD2-CD2 3.35Å; L411-L629 HydrophobicContact CG-CD2 3.87Å; L411-F630 HydrophobicContact CD2-CB 4.45Å; L411-L633 HydrophobicContact CB-CD2 4.39Å; L411-L633 HydrophobicContact CD1-CD2 4.47Å
412	R	89.6	Confident	85.1	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-59.7	-45.9	175.7	-179.8	-174.2	70.9	-159.7	4.7	112	K408 Q410 F414 L415 C416 P425 D481 I528 V530	K408-R412 PolarHBondContact O-N 2.89Å; Q410-R412 VanDerWaalsContact C-N 3.34Å; Q410-R412 PolarHBondContact O-N 2.63Å; R412-F414 VanDerWaalsContact C-N 3.35Å; R412-F414 PolarHBondContact O-N 3.2Å; R412-L415 PolarHBondContact O-N 3.09Å; R412-C416 WeakPolarHBondContact O-CB 3.34Å; R412-C416 PolarHBondContact O-N 3.28Å; R412-C416 PolarHBondContact O-SG 3.5Å; R412-C416 VanDerWaalsContact O-SG 3.33Å; R412-P425 HydrophobicContact CG-CB 4.17Å; R412-D481 PolarHBondContact NH2-O 2.75Å; R412-I528 HydrophobicContact CB-CG2 4.32Å; R412-I528 WeakPolarHBondContact CD-O 3.44Å; R412-I528 HydrophobicContact CG-CB 4.18Å; R412-I528 HydrophobicContact CG-CG2 3.84Å; R412-V530 HydrophobicContact CB-CG2 3.65Å; R412-V530 HydrophobicContact CG-CG2 4.29Å
413	K	86.6	Confident	85	Confident	51 Å²	51	43.5 Å²	43.5	22%	0.222	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-46.7	178.8	-75.5	-172.2	179.4	-176.6	0	111.1	R409 Q410 L411 C416 Q417 D481	R409-K413 PolarHBondContact O-N 3.47Å; Q410-K413 PolarHBondContact O-N 3.24Å; Q410-K413 VanDerWaalsContact O-N 3.07Å; L411-K413 PolarHBondContact O-N 3.26Å; K413-C416 PolarHBondContact O-N 3.4Å; K413-Q417 VanDerWaalsContact O-CG 3.3Å; K413-Q417 WeakPolarHBondContact O-CG 3.37Å; K413-Q417 PolarHBondContact O-N 3.17Å; K413-Q417 VanDerWaalsContact O-N 3.09Å; K413-D481 WeakPolarHBondContact CE-OD1 3.37Å; K413-D481 IonicContact NZ-OD1 2.86Å; K413-D481 PolarHBondContact NZ-OD1 2.75Å; K413-D481 IonicContact NZ-OD2 2.9Å; K413-D481 PolarHBondContact NZ-OD2 3.39Å
414	F	83.4	Confident	85.1	Confident	41 Å²	41	44.9 Å²	44.9	18%	0.18	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-45.9	179.4	-78	-68.3	0	0	0	112.4	Q410 L411 R412 C416 Q417 Q418 F630 M654	Q410-F414 HydrophobicContact CB-CD2 4.26Å; Q410-F414 HydrophobicContact CB-CE2 4.19Å; Q410-F414 WeakPolarHBondContact O-CD2 3.36Å; Q410-F414 PolarHBondContact O-N 2.97Å; L411-F414 PolarHBondContact O-N 3.39Å; R412-F414 VanDerWaalsContact C-N 3.35Å; R412-F414 PolarHBondContact O-N 3.2Å; F414-C416 VanDerWaalsContact C-N 3.34Å; F414-C416 PolarHBondContact O-N 3.42Å; F414-Q417 PolarHBondContact O-N 3.45Å; F414-Q417 VanDerWaalsContact O-N 3.12Å; F414-Q418 WeakPolarHBondContact O-CG 3.23Å; F414-Q418 PolarHBondContact O-N 3.39Å; F414-F630 HydrophobicContact CB-CD2 4.17Å; F414-F630 HydrophobicContact CB-CE2 3.69Å; F414-M654 HydrophobicContact CD1-CE 4.41Å; F414-M654 HydrophobicContact CD1-SD 4.16Å; F414-M654 HydrophobicContact CE1-CE 3.59Å; F414-M654 HydrophobicContact CE1-SD 3.6Å; F414-M654 VanDerWaalsContact CE1-SD 3.6Å; F414-M654 HydrophobicContact CE2-CE 4.1Å; F414-M654 HydrophobicContact CZ-CE 3.43Å; F414-M654 VanDerWaalsContact CZ-CE 3.43Å; F414-M654 HydrophobicContact CZ-SD 4.11Å
415	L	86.3	Confident	85.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-43.6	177.5	-75.3	177.2	0	0	0	112.5	I400 L411 R412 Q417 Q418 L419 I528 F630 L633 L634 I637	I400-L415 HydrophobicContact CD1-CD1 3.96Å; L411-L415 WeakPolarHBondContact O-CB 3.48Å; L411-L415 WeakPolarHBondContact O-CG 3.49Å; L411-L415 PolarHBondContact O-N 3.09Å; R412-L415 PolarHBondContact O-N 3.09Å; L415-Q417 VanDerWaalsContact C-N 3.27Å; L415-Q417 PolarHBondContact O-N 3.03Å; L415-Q418 PolarHBondContact O-N 3.03Å; L415-L419 WeakPolarHBondContact O-CB 3.44Å; L415-L419 PolarHBondContact O-N 3.01Å; L415-I528 HydrophobicContact CB-CD1 3.82Å; L415-I528 HydrophobicContact CD1-CD1 4.13Å; L415-F630 HydrophobicContact CD2-CE2 4.2Å; L415-L633 HydrophobicContact CD1-CD2 3.57Å; L415-L633 HydrophobicContact CD1-CG 3.94Å; L415-L633 HydrophobicContact CD2-CD2 4.48Å; L415-L633 HydrophobicContact CD2-CG 4.37Å; L415-L633 HydrophobicContact CG-CD2 4.23Å; L415-L634 HydrophobicContact CD2-CD1 4.44Å; L415-I637 HydrophobicContact CD1-CD1 3.52Å; L415-I637 HydrophobicContact CD2-CD1 3.58Å; L415-I637 HydrophobicContact CG-CD1 4.18Å
416	C	87.2	Confident	86	Confident	17 Å²	17	44.8 Å²	44.8	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-23.3	177.7	-67.1	0	0	0	0	113.3	R412 K413 F414 D420 P425	R412-C416 WeakPolarHBondContact O-CB 3.34Å; R412-C416 PolarHBondContact O-N 3.28Å; R412-C416 PolarHBondContact O-SG 3.5Å; R412-C416 VanDerWaalsContact O-SG 3.33Å; K413-C416 PolarHBondContact O-N 3.4Å; F414-C416 VanDerWaalsContact C-N 3.34Å; F414-C416 PolarHBondContact O-N 3.42Å; C416-D420 WeakPolarHBondContact O-CA 3.41Å; C416-D420 WeakPolarHBondContact O-CB 3.38Å; C416-D420 PolarHBondContact O-N 2.84Å; C416-P425 VanDerWaalsContact SG-CD 3.5Å; C416-P425 VanDerWaalsContact SG-N 3.39Å
417	Q	86.5	Confident	86.6	Confident	125 Å²	125	44.8 Å²	44.8	58%	0.584	22%	0.218	S	C	*	.	H	α-helix	trans	-77.9	-35.3	173.7	-76.6	172.9	-20	0	0	112.4	K413 F414 L415	K413-Q417 VanDerWaalsContact O-CG 3.3Å; K413-Q417 WeakPolarHBondContact O-CG 3.37Å; K413-Q417 PolarHBondContact O-N 3.17Å; K413-Q417 VanDerWaalsContact O-N 3.09Å; F414-Q417 PolarHBondContact O-N 3.45Å; F414-Q417 VanDerWaalsContact O-N 3.12Å; L415-Q417 VanDerWaalsContact C-N 3.27Å; L415-Q417 PolarHBondContact O-N 3.03Å
418	Q	83.6	Confident	87.1	Confident	59 Å²	59	41.7 Å²	41.7	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-84.3	-30.8	-179.2	-64.2	-60.1	-34	0	0	113	F414 L415 F630 M652	F414-Q418 WeakPolarHBondContact O-CG 3.23Å; F414-Q418 PolarHBondContact O-N 3.39Å; L415-Q418 PolarHBondContact O-N 3.03Å; Q418-F630 HydrophobicContact CG-CZ 4.23Å; Q418-M652 PolarHBondContact OE1-SD 2.85Å
419	L	85.4	Confident	87.5	Confident	16 Å²	16	41.3 Å²	41.3	8%	0.084	20%	0.2	C	C	.	.	S	Bend	trans	-122.3	42.6	-176.6	-58.8	174.6	0	0	0	111.2	L415 N421 Y422 F423 L634 I637 L638	L415-L419 WeakPolarHBondContact O-CB 3.44Å; L415-L419 PolarHBondContact O-N 3.01Å; L419-N421 PolarHBondContact O-N 3.07Å; L419-Y422 PolarHBondContact O-N 3.47Å; L419-F423 HydrophobicContact CB-CD2 3.93Å; L419-F423 HydrophobicContact CD1-CD2 4.12Å; L419-F423 HydrophobicContact CD1-CE2 4.18Å; L419-F423 PolarHBondContact O-N 3.39Å; L419-L634 HydrophobicContact CD1-CD1 4.08Å; L419-L634 HydrophobicContact CG-CD1 4.39Å; L419-I637 HydrophobicContact CD1-CG2 3.63Å; L419-L638 HydrophobicContact CD2-CD2 4.29Å
420	D	83.8	Confident	87.9	Confident	92 Å²	92	39.1 Å²	39.1	49%	0.492	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.6	-178.9	63.4	-13.7	0	0	0	113.5	C416 Y422	C416-D420 WeakPolarHBondContact O-CA 3.41Å; C416-D420 WeakPolarHBondContact O-CB 3.38Å; C416-D420 PolarHBondContact O-N 2.84Å; D420-Y422 PolarHBondContact O-N 2.8Å
421	N	85.2	Confident	88.1	Confident	125 Å²	125	37.9 Å²	37.9	67%	0.668	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.4	174.8	-67.8	-37.4	0	0	0	114.3	L419 L525	L419-N421 PolarHBondContact O-N 3.07Å; N421-L525 VanDerWaalsContact C-CD2 3.48Å; N421-L525 WeakPolarHBondContact O-CD2 3.45Å
422	Y	86.3	Confident	88.1	Confident	108 Å²	108	37.8 Å²	37.8	42%	0.424	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-33.7	-177.1	-61.3	-78.1	0	0	0	112.9	L419 D420 A526 L641 I643	L419-Y422 PolarHBondContact O-N 3.47Å; D420-Y422 PolarHBondContact O-N 2.8Å; Y422-A526 PolarHBondContact O-N 2.82Å; Y422-L641 HydrophobicContact CD1-CD1 4.44Å; Y422-L641 HydrophobicContact CD1-CD2 4.24Å; Y422-L641 HydrophobicContact CD2-CD1 4.07Å; Y422-L641 HydrophobicContact CE2-CD1 4.44Å; Y422-L641 HydrophobicContact CG-CD1 4.06Å; Y422-L641 HydrophobicContact CG-CD2 4.47Å; Y422-I643 HydrophobicContact CE2-CD1 4.15Å
423	F	89.3	Confident	87.7	Confident	19 Å²	19	42.2 Å²	42.2	8%	0.083	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.9	-167.6	-70.1	-73.4	0	0	0	113.4	L398 L419 A526 I528 I637 L641	L398-F423 HydrophobicContact CB-CE1 4.22Å; L419-F423 HydrophobicContact CB-CD2 3.93Å; L419-F423 HydrophobicContact CD1-CD2 4.12Å; L419-F423 HydrophobicContact CD1-CE2 4.18Å; L419-F423 PolarHBondContact O-N 3.39Å; F423-A526 CarbonylContact C-O 3.3Å; F423-A526 WeakPolarHBondContact CA-O 3.48Å; F423-A526 HydrophobicContact CD1-CB 3.6Å; F423-A526 HydrophobicContact CE1-CB 3.6Å; F423-I528 HydrophobicContact CB-CD1 3.58Å; F423-I528 HydrophobicContact CB-CG1 3.81Å; F423-I528 HydrophobicContact CD1-CD1 3.83Å; F423-I528 HydrophobicContact CD1-CG1 3.48Å; F423-I528 VanDerWaalsContact CD1-CG1 3.48Å; F423-I528 HydrophobicContact CD2-CD1 4.29Å; F423-I528 HydrophobicContact CE1-CG1 4.26Å; F423-I528 HydrophobicContact CG-CD1 3.65Å; F423-I528 HydrophobicContact CG-CG1 3.81Å; F423-I637 HydrophobicContact CD2-CG2 4.48Å; F423-I637 HydrophobicContact CE2-CG2 3.49Å; F423-I637 VanDerWaalsContact CE2-CG2 3.49Å; F423-I637 HydrophobicContact CZ-CG2 3.92Å; F423-L641 HydrophobicContact CE2-CD1 4.12Å; F423-L641 HydrophobicContact CE2-CD2 4.43Å; F423-L641 HydrophobicContact CZ-CD2 4.49Å
424	I	90.2	Very high	87.5	Confident	30 Å²	30	41.7 Å²	41.7	15%	0.154	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	144.7	170.3	-74.3	-179.7	0	0	0	109.6	L426 I520 L525 A526 G527 I528	I424-L426 PolarHBondContact O-N 3.23Å; I424-I520 HydrophobicContact CB-CD1 4.31Å; I424-I520 HydrophobicContact CB-CG1 4.38Å; I424-I520 HydrophobicContact CB-CG2 3.87Å; I424-I520 HydrophobicContact CD1-CG2 4.4Å; I424-I520 HydrophobicContact CG2-CD1 3.79Å; I424-I520 HydrophobicContact CG2-CG1 3.8Å; I424-I520 HydrophobicContact CG2-CG2 4.22Å; I424-L525 HydrophobicContact CD1-CB 4.3Å; I424-L525 HydrophobicContact CD1-CD1 3.32Å; I424-L525 HydrophobicContact CD1-CG 4.4Å; I424-L525 HydrophobicContact CG1-CB 4.33Å; I424-L525 HydrophobicContact CG1-CD1 3.69Å; I424-A526 PolarHBondContact N-O 3.24Å; I424-G527 WeakPolarHBondContact O-CA 3.28Å; I424-I528 PolarHBondContact O-N 3.35Å
425	P	91	Very high	87	Confident	41 Å²	41	41.2 Å²	41.2	27%	0.266	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	122.6	175.1	27	-35.2	0	0	0	110.6	R412 C416 I427	R412-P425 HydrophobicContact CG-CB 4.17Å; C416-P425 VanDerWaalsContact SG-CD 3.5Å; C416-P425 VanDerWaalsContact SG-N 3.39Å; P425-I427 HydrophobicContact CB-CG1 4.26Å; P425-I427 PolarHBondContact O-N 3.06Å
426	L	91.1	Very high	85.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.			trans	-88.6	99.5	172.2	-178.4	53.8	0	0	0	108.5	I397 I424 L512 I516 L517 I520 I528 V529	I397-L426 HydrophobicContact CD1-CD2 4.25Å; I397-L426 HydrophobicContact CG2-CD2 4.28Å; I424-L426 PolarHBondContact O-N 3.23Å; L426-L512 HydrophobicContact CD1-CD1 3.72Å; L426-L512 HydrophobicContact CD2-CD1 4.13Å; L426-L512 HydrophobicContact CD2-CD2 4.1Å; L426-L512 HydrophobicContact CG-CD1 3.59Å; L426-L512 HydrophobicContact CG-CD2 4.48Å; L426-I516 HydrophobicContact CD1-CB 4.32Å; L426-I516 HydrophobicContact CD1-CG2 3.64Å; L426-L517 HydrophobicContact CD1-CB 4.36Å; L426-L517 HydrophobicContact CD1-CD1 4.29Å; L426-L517 HydrophobicContact CD2-CD1 3.89Å; L426-I520 HydrophobicContact CB-CD1 3.95Å; L426-I520 HydrophobicContact CD1-CD1 3.78Å; L426-I520 HydrophobicContact CG-CD1 4.42Å; L426-I528 PolarHBondContact N-O 3.17Å; L426-V529 HydrophobicContact CB-CB 4.1Å; L426-V529 HydrophobicContact CD2-CB 4.12Å; L426-V529 HydrophobicContact CG-CB 4.24Å; L426-V529 HydrophobicContact CG-CG2 4.34Å
427	I	91.5	Very high	84.1	Confident	13 Å²	13	44.9 Å²	44.9	7%	0.067	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-88.7	139.7	-169.8	-58.1	170.7	0	0	0	110.4	P425 G479 V480 Y482 Y483 I516	P425-I427 HydrophobicContact CB-CG1 4.26Å; P425-I427 PolarHBondContact O-N 3.06Å; I427-G479 VanDerWaalsContact CD1-O 3.25Å; I427-G479 WeakPolarHBondContact CD1-O 3.45Å; I427-V480 WeakPolarHBondContact CD1-O 3.17Å; I427-Y482 VanDerWaalsContact CG2-CA 3.44Å; I427-Y483 HydrophobicContact CB-CD2 4.49Å; I427-Y483 HydrophobicContact CB-CE2 4.41Å; I427-Y483 HydrophobicContact CG2-CD2 3.98Å; I427-Y483 HydrophobicContact CG2-CE2 4.27Å; I427-I516 WeakPolarHBondContact O-CD1 3.42Å
428	C	92.6	Very high	82.2	Confident	8 Å²	8	46.4 Å²	46.4	5%	0.054	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-97.6	155.4	175.1	-60.2	0	0	0	0	111.3	Y482 Y483 G511	C428-Y482 HydrophobicContact CB-CD1 4.08Å; C428-Y482 HydrophobicContact CB-CE1 4.24Å; C428-Y482 CarbonylContact O-C 3.29Å; C428-Y482 WeakPolarHBondContact O-CA 3.39Å; C428-Y482 WeakPolarHBondContact O-CD1 3.44Å; C428-Y483 PolarHBondContact O-N 3.48Å; C428-G511 CarbonylContact C-O 3.45Å; C428-G511 WeakPolarHBondContact CA-O 3.37Å
429	H	94.3	Very high	80	Confident	12 Å²	12	48 Å²	48	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	148.3	164.2	-62.9	74.3	0	0	0	109.8	Y483 I485 F490 F499 Y510 G511 S513	H429-Y483 CarbonylContact C-O 3.6Å; H429-Y483 VanDerWaalsContact CA-O 3.26Å; H429-Y483 WeakPolarHBondContact CA-O 3.34Å; H429-Y483 VanDerWaalsContact CD2-CB 3.44Å; H429-Y483 WeakPolarHBondContact CD2-CB 3.39Å; H429-I485 HydrophobicContact CB-CD1 4.04Å; H429-I485 HydrophobicContact CB-CG1 4.44Å; H429-F490 HydrophobicContact CB-CD2 4.33Å; H429-F490 HydrophobicContact CB-CE2 4.21Å; H429-F499 HydrophobicContact CB-CE1 3.89Å; H429-F499 HydrophobicContact CB-CZ 4.12Å; H429-F499 AromaticContact CG-CE1 3.91Å; H429-F499 AromaticContact ND1-CE1 3.8Å; H429-Y510 CarbonylContact O-C 3.5Å; H429-Y510 VanDerWaalsContact O-CA 3.32Å; H429-Y510 WeakPolarHBondContact O-CA 3.44Å; H429-G511 PolarHBondContact N-O 3.27Å; H429-G511 PolarHBondContact O-N 2.78Å; H429-S513 PolarHBondContact CE1-OG 3.47Å
430	T	92.2	Very high	77.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.9	172.2	-174	0	0	0	0	111.7	R432 Y482 Y483 F484 I485 Q509 Y510	T430-R432 VanDerWaalsContact C-N 3.31Å; T430-R432 HydrophobicContact CG2-CB 4.16Å; T430-R432 WeakPolarHBondContact OG1-CB 3.48Å; T430-R432 PolarHBondContact OG1-N 2.95Å; T430-Y482 HydrophobicContact CG2-CD1 4.25Å; T430-Y482 HydrophobicContact CG2-CG 4.01Å; T430-Y483 PolarHBondContact N-O 3.18Å; T430-F484 HydrophobicContact CG2-CD1 3.5Å; T430-F484 VanDerWaalsContact CG2-CD1 3.5Å; T430-F484 HydrophobicContact CG2-CE1 3.7Å; T430-I485 PolarHBondContact O-N 3.22Å; T430-Q509 WeakPolarHBondContact CA-O 2.97Å; T430-Q509 WeakPolarHBondContact CB-O 3.43Å; T430-Q509 PolarHBondContact OG1-O 2.86Å; T430-Y510 HydrophobicContact CG2-CE1 4.27Å; T430-Y510 WeakPolarHBondContact OG1-CE1 3.44Å
431	D	87.9	Confident	75.4	Confident	27 Å²	27	55 Å²	55	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	-85.8	-2.8	172.1	73.8	-23.4	0	0	0	114	I485 K487 Y508 Q509	D431-I485 VanDerWaalsContact CA-O 3.24Å; D431-I485 WeakPolarHBondContact CA-O 2.98Å; D431-K487 HydrophobicContact CB-CB 4.19Å; D431-Y508 WeakPolarHBondContact OD1-CA 2.87Å; D431-Y508 WeakPolarHBondContact OD1-CB 3.14Å; D431-Q509 PolarHBondContact N-O 2.96Å; D431-Q509 PolarHBondContact OD1-N 3.29Å
432	R	87	Confident	73	Confident	7 Å²	7	55.7 Å²	55.7	3%	0.026	27%	0.274	C	S	.	.	S	Bend	trans	-72.1	145.6	176.5	-169.2	-173.7	55.4	95.1	-13.1	110.7	T430 K435 E476 F484 Y508 Y510	T430-R432 VanDerWaalsContact C-N 3.31Å; T430-R432 HydrophobicContact CG2-CB 4.16Å; T430-R432 WeakPolarHBondContact OG1-CB 3.48Å; T430-R432 PolarHBondContact OG1-N 2.95Å; R432-K435 VanDerWaalsContact NH1-CG 3.26Å; R432-E476 IonicContact CZ-OE1 2.74Å; R432-E476 IonicContact CZ-OE2 3.38Å; R432-E476 IonicContact NH1-OE1 3.6Å; R432-E476 IonicContact NH1-OE2 3.81Å; R432-E476 PolarHBondContact NH1-OE2 3.31Å; R432-E476 IonicContact NH2-OE1 2.92Å; R432-E476 PolarHBondContact NH2-OE1 3.11Å; R432-E476 IonicContact NH2-OE2 3.4Å; R432-E476 PolarHBondContact NH2-OE2 3.4Å; R432-F484 WeakPolarHBondContact O-CD1 3.26Å; R432-Y508 HydrophobicContact CB-CD1 3.95Å; R432-Y508 HydrophobicContact CB-CG 3.88Å; R432-Y508 HydrophobicContact CG-CD1 4.22Å; R432-Y508 HydrophobicContact CG-CD2 4.2Å; R432-Y508 HydrophobicContact CG-CG 4.04Å; R432-Y510 PolarHBondContact NE-OH 3.21Å
433	L	81.3	Confident	70.4	Confident	96 Å²	96	55.5 Å²	55.5	50%	0.503	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-72.6	150	168.4	-69.5	170.5	0	0	0	112.6
434	P	80.4	Confident	67.6	Low	40 Å²	40	61.1 Å²	61.1	26%	0.26	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-59.1	141.8	175.7	-18.7	27.8	0	0	0	112.6	C436 E476 F484	P434-C436 PolarHBondContact O-N 3.48Å; P434-E476 WeakPolarHBondContact CA-OE2 3.35Å; P434-E476 HydrophobicContact CB-CB 4.07Å; P434-F484 HydrophobicContact CB-CD2 4.34Å; P434-F484 HydrophobicContact CB-CE1 4.36Å; P434-F484 HydrophobicContact CB-CE2 3.94Å; P434-F484 HydrophobicContact CB-CZ 3.93Å; P434-F484 HydrophobicContact CG-CB 4.45Å; P434-F484 HydrophobicContact CG-CD1 4.16Å; P434-F484 HydrophobicContact CG-CD2 3.68Å; P434-F484 HydrophobicContact CG-CE1 4.24Å; P434-F484 HydrophobicContact CG-CE2 3.81Å; P434-F484 HydrophobicContact CG-CG 3.84Å; P434-F484 HydrophobicContact CG-CZ 4.07Å
435	K	74	Confident	64.8	Low	30 Å²	30	63.4 Å²	63.4	13%	0.13	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-68.2	126.8	172.4	-61.8	-165.9	-168.7	-160.4	0	110.3	R432 E476 S566 Q569 I570	R432-K435 VanDerWaalsContact NH1-CG 3.26Å; K435-E476 HydrophobicContact CB-CG 4.2Å; K435-E476 WeakPolarHBondContact CG-OE2 3.49Å; K435-E476 PolarHBondContact N-OE2 2.84Å; K435-E476 PolarHBondContact O-N 3.19Å; K435-S566 PolarHBondContact NZ-O 3.19Å; K435-Q569 HydrophobicContact CD-CB 4.49Å; K435-I570 HydrophobicContact CD-CG1 4.25Å; K435-I570 VanDerWaalsContact CE-CG1 3.48Å; K435-I570 HydrophobicContact CG-CG1 4.4Å
436	C	58.4	Low	61.9	Low	63 Å²	63	66.7 Å²	66.7	43%	0.426	34%	0.339	S	S	.	.			trans	-115.1	120.4	173.4	-80.5	0	0	0	0	110.5	P434 K438 T573	P434-C436 PolarHBondContact O-N 3.48Å; C436-K438 PolarHBondContact O-N 3.2Å; C436-K438 VanDerWaalsContact O-N 3.16Å; C436-T573 HydrophobicContact CB-CG2 4.08Å
437	N	53.6	Low	58.9	Low	31 Å²	31	75.7 Å²	75.7	17%	0.166	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-73.2	-0.8	179.1	-89.5	-5.4	0	0	0	114.7	L439 I440 N474 N475	N437-L439 PolarHBondContact O-N 3.19Å; N437-L439 VanDerWaalsContact O-N 3.09Å; N437-I440 HydrophobicContact CB-CD1 4.36Å; N437-N474 VanDerWaalsContact ND2-CB 3.33Å; N437-N474 WeakPolarHBondContact ND2-CB 3.43Å; N437-N475 PolarHBondContact N-OD1 3.19Å; N437-N475 VanDerWaalsContact N-OD1 3.09Å
438	K	47.7	Very low	55.8	Low	158 Å²	158	79 Å²	79	69%	0.687	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-66.3	-11	-172.3	-78.5	-170	173.7	-174.2	0	114.9	C436 N467	C436-K438 PolarHBondContact O-N 3.2Å; C436-K438 VanDerWaalsContact O-N 3.16Å; K438-N467 PolarHBondContact NZ-OD1 3.41Å
439	L	37.8	Very low	52.7	Low	91 Å²	91	85.9 Å²	85.9	48%	0.476	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-104.9	1.7	-171.7	-70.3	169.4	0	0	0	116.3	N437 K441 C572	N437-L439 PolarHBondContact O-N 3.19Å; N437-L439 VanDerWaalsContact O-N 3.09Å; L439-K441 VanDerWaalsContact C-N 3.34Å; L439-K441 PolarHBondContact O-N 3.1Å; L439-C572 HydrophobicContact CD1-CB 4.03Å
440	I	38	Very low	49.4	Very low	74 Å²	74	92.1 Å²	92.1	38%	0.379	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.5	-165.2	-63.4	168.2	0	0	0	114.9	N437 Q442 Q569	N437-I440 HydrophobicContact CB-CD1 4.36Å; I440-Q442 PolarHBondContact O-N 3.49Å; I440-Q569 HydrophobicContact CD1-CG 4.14Å; I440-Q569 VanDerWaalsContact CD1-NE2 3.3Å; I440-Q569 HydrophobicContact CG1-CG 4.49Å
441	K	34.2	Very low	46.2	Very low	182 Å²	182	96.7 Å²	96.7	79%	0.791	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-9.5	-170.8	-81.3	-167.2	176.1	-174.9	0	117.2	L439	L439-K441 VanDerWaalsContact C-N 3.34Å; L439-K441 PolarHBondContact O-N 3.1Å
442	Q	34.4	Very low	43.2	Very low	140 Å²	140	100.6 Å²	100.6	65%	0.654	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-29.8	-179	-87.4	-179.9	-16.9	0	0	115.1	I440 N444 S445	I440-Q442 PolarHBondContact O-N 3.49Å; Q442-N444 PolarHBondContact O-N 3.28Å; Q442-S445 PolarHBondContact O-N 3.37Å; Q442-S445 PolarHBondContact O-OG 3.18Å
443	F	32.1	Very low	40.3	Very low	104 Å²	104	107.1 Å²	107.1	46%	0.456	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-74.9	-26.4	-171.5	-94.4	-83.2	0	0	0	115.4	S445 I446	F443-S445 PolarHBondContact O-N 2.81Å; F443-S445 VanDerWaalsContact O-N 3.15Å; F443-I446 PolarHBondContact O-N 3.21Å
444	N	30.5	Very low	37.7	Very low	137 Å²	137	109.8 Å²	109.8	73%	0.733	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-70.8	-9	177.5	-73.9	-3	0	0	0	113.4	Q442	Q442-N444 PolarHBondContact O-N 3.28Å
445	S	31.2	Very low	35.1	Very low	78 Å²	78	115.3 Å²	115.3	55%	0.545	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-88.5	-16	-179.3	-26.5	0	0	0	0	113.5	Q442 F443	Q442-S445 PolarHBondContact O-N 3.37Å; Q442-S445 PolarHBondContact O-OG 3.18Å; F443-S445 PolarHBondContact O-N 2.81Å; F443-S445 VanDerWaalsContact O-N 3.15Å
446	I	29.9	Very low	32.8	Very low	109 Å²	109	121.4 Å²	121.4	56%	0.559	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-23	-173.1	-61.2	176.4	0	0	0	112.1	F443	F443-I446 PolarHBondContact O-N 3.21Å
447	H	28.5	Very low	31.2	Very low	190 Å²	190	123.8 Å²	123.8	88%	0.88	66%	0.659	S	S	*	*	S	Bend	trans	-99.2	11.2	179	-90.3	-59.1	0	0	0	115.6
448	S	26.6	Very low	29.9	Very low	83 Å²	83	129 Å²	129	58%	0.58	69%	0.687	S	S	*	*			trans	-117.1	50.5	169.6	46.5	0	0	0	0	111.1	D450	S448-D450 PolarHBondContact O-N 2.98Å; S448-D450 VanDerWaalsContact O-N 3.07Å
449	I	26.6	Very low	28.7	Very low	152 Å²	152	128.9 Å²	128.9	78%	0.779	69%	0.694	S	S	*	*			trans	-81.7	66.7	158.1	-55.5	170.8	0	0	0	106.5
450	D	25.4	Very low	28	Very low	143 Å²	143	130.8 Å²	130.8	77%	0.765	71%	0.709	S	S	*	*			trans	-115.6	105.9	161.1	-101.1	-29.9	0	0	0	107.3	S448	S448-D450 PolarHBondContact O-N 2.98Å; S448-D450 VanDerWaalsContact O-N 3.07Å
451	S	25	Very low	27.2	Very low	96 Å²	96	132.3 Å²	132.3	67%	0.671	72%	0.721	S	S	*	*			trans	48.5	108.8	142.4	35.9	0	0	0	0	119.5
452	S	25.1	Very low	26.6	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	71%	0.712	S	S	*	*			trans	79.2	131.8	138	73	0	0	0	0	120.5
453	N	25.1	Very low	26.1	Very low	145 Å²	145	129.6 Å²	129.6	78%	0.775	72%	0.722	S	S	*	*			trans	63.6	100.6	157.7	-74.4	-11.6	0	0	0	118.7
454	N	26.6	Very low	25.7	Very low	151 Å²	151	130 Å²	130	81%	0.807	73%	0.733	S	S	*	*				176.5	135.5	92.9	-103.6	-27	0	0	0	111.5	N456	N454-N456 PolarHBondContact O-N 3.01Å
455	N	25.5	Very low	25.4	Very low	156 Å²	156	131.5 Å²	131.5	83%	0.834	74%	0.736	S	S	*	*			trans	-57.4	113.6	163.8	-65	-36.7	0	0	0	109.4
456	N	27.1	Very low	25.1	Very low	159 Å²	159	134.8 Å²	134.8	85%	0.85	75%	0.746	S	S	*	*			trans	-147.2	108	149.5	-103.2	-16	0	0	0	110	N454	N454-N456 PolarHBondContact O-N 3.01Å
457	T	25.2	Very low	24.8	Very low	113 Å²	113	135.2 Å²	135.2	69%	0.693	75%	0.75	S	S	*	*			trans	-56.5	144.3	171.7	46.2	0	0	0	0	113
458	N	24.8	Very low	24.7	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	75%	0.746	S	S	*	*			trans	71.4	47.7	138.7	-60.4	-7.8	0	0	0	120.3
459	N	23.6	Very low	24.7	Very low	154 Å²	154	135.3 Å²	135.3	82%	0.824	75%	0.75	S	S	*	*			trans	-109.4	66.1	154.1	-83.8	-14	0	0	0	110.7	V461	N459-V461 HydrophobicContact CB-CG2 4.36Å; N459-V461 PolarHBondContact O-N 2.96Å
460	V	23.6	Very low	24.8	Very low	131 Å²	131	133.4 Å²	133.4	79%	0.794	75%	0.748	S	S	*	*			trans	-72.7	78.8	159.1	-178.4	0	0	0	0	106.3	T462	V460-T462 PolarHBondContact O-N 2.98Å
461	V	20.7	Very low	25.2	Very low	106 Å²	106	132.3 Å²	132.3	64%	0.642	74%	0.742	S	S	*	*			trans	-67.5	102.3	172.7	177.2	0	0	0	0	106.7	N459 I463	N459-V461 HydrophobicContact CB-CG2 4.36Å; N459-V461 PolarHBondContact O-N 2.96Å; V461-I463 PolarHBondContact O-N 2.81Å
462	T	21.1	Very low	25.9	Very low	98 Å²	98	131.8 Å²	131.8	60%	0.601	73%	0.732	S	S	*	*			trans	-49.7	127.8	172.5	46	0	0	0	0	110.1	V460 T464	V460-T462 PolarHBondContact O-N 2.98Å; T462-T464 PolarHBondContact O-N 2.88Å
463	I	24.4	Very low	27	Very low	167 Å²	167	131.3 Å²	131.3	86%	0.856	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-59.9	4.5	-166.4	-70.3	162.7	0	0	0	115.1	V461	V461-I463 PolarHBondContact O-N 2.81Å
464	T	24.1	Very low	28.6	Very low	113 Å²	113	127.7 Å²	127.7	69%	0.693	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-83.7	-11.4	-174.1	47.7	0	0	0	0	115.5	T462	T462-T464 PolarHBondContact O-N 2.88Å
465	Q	24.2	Very low	30.6	Very low	169 Å²	169	123.1 Å²	123.1	79%	0.79	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-103.1	0.3	-174.3	-69	-165.3	-3.3	0	0	117	N467	Q465-N467 VanDerWaalsContact C-N 3.32Å; Q465-N467 PolarHBondContact O-N 2.89Å
466	L	23.1	Very low	33.1	Very low	147 Å²	147	116.5 Å²	116.5	77%	0.77	64%	0.641	S	S	*	*			trans	-92.1	17.3	175.5	-87.9	156.7	0	0	0	114.1	N468	L466-N468 VanDerWaalsContact C-N 3.33Å; L466-N468 PolarHBondContact O-N 3.04Å
467	N	23.9	Very low	35.7	Very low	117 Å²	117	113.6 Å²	113.6	63%	0.626	62%	0.624	S	S	*	*			trans	-83.4	5.7	-172.6	-126.7	9.9	0	0	0	115.7	K438 Q465	K438-N467 PolarHBondContact NZ-OD1 3.41Å; Q465-N467 VanDerWaalsContact C-N 3.32Å; Q465-N467 PolarHBondContact O-N 2.89Å
468	N	26.2	Very low	38.6	Very low	149 Å²	149	112.7 Å²	112.7	80%	0.797	62%	0.615	S	S	*	*			trans	-125.5	34.6	-168	-71.5	-5.2	0	0	0	115.5	L466	L466-N468 VanDerWaalsContact C-N 3.33Å; L466-N468 PolarHBondContact O-N 3.04Å
469	N	26.6	Very low	41.4	Very low	126 Å²	126	107.2 Å²	107.2	67%	0.674	59%	0.592	S	S	*	*			trans	-119.6	91.7	162	-141.6	-10	0	0	0	110.3	N471	N469-N471 PolarHBondContact O-N 3.25Å
470	P	30	Very low	44.2	Very low	113 Å²	113	103.1 Å²	103.1	73%	0.734	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-20.4	176.1	-14.5	28.1	0	0	0	112.1	N472	P470-N472 PolarHBondContact O-N 2.91Å; P470-N472 VanDerWaalsContact O-N 3.16Å
471	N	34.2	Very low	47.1	Very low	119 Å²	119	96.9 Å²	96.9	64%	0.636	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	18.7	-172.8	-70.2	-4.7	0	0	0	114.7	N469 N473	N469-N471 PolarHBondContact O-N 3.25Å; N471-N473 PolarHBondContact O-N 2.94Å
472	N	38.6	Very low	50.3	Low	86 Å²	86	93.4 Å²	93.4	46%	0.46	51%	0.51	S	S	.	.			trans	-78.2	69.7	163.4	-147.5	-5.9	0	0	0	108.2	P470 N474 N475	P470-N472 PolarHBondContact O-N 2.91Å; P470-N472 VanDerWaalsContact O-N 3.16Å; N472-N474 PolarHBondContact O-N 3.01Å; N472-N475 PolarHBondContact O-N 2.88Å
473	N	49.1	Very low	53.7	Low	98 Å²	98	93 Å²	93	52%	0.524	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	5.8	-171.7	-78.1	-9.3	0	0	0	115.6	N471	N471-N473 PolarHBondContact O-N 2.94Å
474	N	57.4	Low	56.8	Low	69 Å²	69	86.5 Å²	86.5	37%	0.369	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-8.4	-173.7	-75.5	-21.9	0	0	0	114.4	R409 Q410 N437 N472	R409-N474 PolarHBondContact NH2-O 2.74Å; Q410-N474 PolarHBondContact NE2-OD1 3.01Å; N437-N474 VanDerWaalsContact ND2-CB 3.33Å; N437-N474 WeakPolarHBondContact ND2-CB 3.43Å; N472-N474 PolarHBondContact O-N 3.01Å
475	N	69.3	Low	60	Low	54 Å²	54	82.8 Å²	82.8	29%	0.289	44%	0.439	S	S	.	.	S	Bend	trans	-64.5	144.4	173.1	-68.8	-14.9	0	0	0	110.5	N437 N472	N437-N475 PolarHBondContact N-OD1 3.19Å; N437-N475 VanDerWaalsContact N-OD1 3.09Å; N472-N475 PolarHBondContact O-N 2.88Å
476	E	78.4	Confident	63.2	Low	17 Å²	17	78.5 Å²	78.5	8%	0.079	42%	0.422	C	S	.	.			trans	-79.8	135.8	174.8	-68.9	176.5	153.5	0	0	110.4	R432 P434 K435 D481 F484	R432-E476 IonicContact CZ-OE1 2.74Å; R432-E476 IonicContact CZ-OE2 3.38Å; R432-E476 IonicContact NH1-OE1 3.6Å; R432-E476 IonicContact NH1-OE2 3.81Å; R432-E476 PolarHBondContact NH1-OE2 3.31Å; R432-E476 IonicContact NH2-OE1 2.92Å; R432-E476 PolarHBondContact NH2-OE1 3.11Å; R432-E476 IonicContact NH2-OE2 3.4Å; R432-E476 PolarHBondContact NH2-OE2 3.4Å; P434-E476 WeakPolarHBondContact CA-OE2 3.35Å; P434-E476 HydrophobicContact CB-CB 4.07Å; K435-E476 HydrophobicContact CB-CG 4.2Å; K435-E476 WeakPolarHBondContact CG-OE2 3.49Å; K435-E476 PolarHBondContact N-OE2 2.84Å; K435-E476 PolarHBondContact O-N 3.19Å; E476-D481 HydrophobicContact CB-CB 4.23Å; E476-D481 HydrophobicContact CG-CB 4.36Å; E476-F484 HydrophobicContact CB-CE2 4.1Å; E476-F484 HydrophobicContact CB-CZ 3.81Å
477	I	81.8	Confident	66.4	Low	98 Å²	98	76.8 Å²	76.8	50%	0.503	41%	0.408	S	S	.	.			trans	-112.6	131	-177.4	-56.2	171.3	0	0	0	108.8	V480 D481	I477-V480 HydrophobicContact CB-CB 4.14Å; I477-V480 HydrophobicContact CB-CG2 4.25Å; I477-V480 HydrophobicContact CG2-CB 4.33Å; I477-V480 HydrophobicContact CG2-CG2 3.92Å; I477-V480 PolarHBondContact O-N 3.05Å; I477-D481 PolarHBondContact N-OD2 2.8Å; I477-D481 PolarHBondContact O-N 3.41Å
478	D	85.3	Confident	69.7	Low	95 Å²	95	78.5 Å²	78.5	51%	0.508	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-62.7	135.9	175.9	-172.8	37.5	0	0	0	111.6	V480 Y483 F484	D478-V480 PolarHBondContact O-N 2.75Å; D478-Y483 WeakPolarHBondContact OD1-CA 3.43Å; D478-F484 HydrophobicContact CB-CD2 3.92Å; D478-F484 PolarHBondContact OD1-N 3.35Å
479	G	83.6	Confident	72.9	Confident	25 Å²	25	75.3 Å²	75.3	26%	0.258	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	-0.9	-175.2	0	0	0	0	0	115.5	I427 Y482 Y483	I427-G479 VanDerWaalsContact CD1-O 3.25Å; I427-G479 WeakPolarHBondContact CD1-O 3.45Å; G479-Y482 PolarHBondContact N-O 2.68Å; G479-Y483 VanDerWaalsContact CA-CE1 3.47Å
480	V	83.3	Confident	76.1	Confident	69 Å²	69	69.3 Å²	69.3	42%	0.418	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-50.5	174.8	-178.5	0	0	0	0	111.2	I427 I477 D478	I427-V480 WeakPolarHBondContact CD1-O 3.17Å; I477-V480 HydrophobicContact CB-CB 4.14Å; I477-V480 HydrophobicContact CB-CG2 4.25Å; I477-V480 HydrophobicContact CG2-CB 4.33Å; I477-V480 HydrophobicContact CG2-CG2 3.92Å; I477-V480 PolarHBondContact O-N 3.05Å; D478-V480 PolarHBondContact O-N 2.75Å
481	D	83.3	Confident	79	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-50.9	-179.9	-71.3	-77.8	0	0	0	111.1	R409 R412 K413 E476 I477	R409-D481 WeakPolarHBondContact CD-OD1 3.09Å; R409-D481 VanDerWaalsContact CG-OD1 3.26Å; R409-D481 WeakPolarHBondContact CG-OD1 3.22Å; R409-D481 IonicContact CZ-OD1 3.83Å; R409-D481 IonicContact NE-OD1 3.89Å; R409-D481 IonicContact NH1-OD1 2.94Å; R409-D481 PolarHBondContact NH1-OD1 2.81Å; R409-D481 IonicContact NH1-OD2 3.9Å; R412-D481 PolarHBondContact NH2-O 2.75Å; K413-D481 WeakPolarHBondContact CE-OD1 3.37Å; K413-D481 IonicContact NZ-OD1 2.86Å; K413-D481 PolarHBondContact NZ-OD1 2.75Å; K413-D481 IonicContact NZ-OD2 2.9Å; K413-D481 PolarHBondContact NZ-OD2 3.39Å; E476-D481 HydrophobicContact CB-CB 4.23Å; E476-D481 HydrophobicContact CG-CB 4.36Å; I477-D481 PolarHBondContact N-OD2 2.8Å; I477-D481 PolarHBondContact O-N 3.41Å
482	Y	89	Confident	81.8	Confident	32 Å²	32	67 Å²	67	13%	0.125	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-147.1	160.5	175.2	-66.4	-82.2	0	0	0	109	I427 C428 T430 G479 F484 Y510	I427-Y482 VanDerWaalsContact CG2-CA 3.44Å; C428-Y482 HydrophobicContact CB-CD1 4.08Å; C428-Y482 HydrophobicContact CB-CE1 4.24Å; C428-Y482 CarbonylContact O-C 3.29Å; C428-Y482 WeakPolarHBondContact O-CA 3.39Å; C428-Y482 WeakPolarHBondContact O-CD1 3.44Å; T430-Y482 HydrophobicContact CG2-CD1 4.25Å; T430-Y482 HydrophobicContact CG2-CG 4.01Å; G479-Y482 PolarHBondContact N-O 2.68Å; Y482-F484 HydrophobicContact CD2-CE1 4.2Å; Y482-F484 AromaticContact CD2-CZ 3.96Å; Y482-F484 HydrophobicContact CD2-CZ 3.96Å; Y482-F484 HydrophobicContact CG-CE1 4.36Å; Y482-F484 HydrophobicContact CG-CZ 4.34Å; Y482-Y510 HydrophobicContact CD1-CD1 4.39Å; Y482-Y510 HydrophobicContact CD1-CE1 4.39Å; Y482-Y510 HydrophobicContact CE1-CD1 4.02Å; Y482-Y510 AromaticContact CE1-CE1 3.95Å; Y482-Y510 HydrophobicContact CE1-CE1 3.95Å
483	Y	91.5	Very high	84.4	Confident	90 Å²	90	65 Å²	65	35%	0.353	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	104.7	159.5	-75	-70.9	0	0	0	108.7	I427 C428 H429 T430 D478 G479 I485 I516	I427-Y483 HydrophobicContact CB-CD2 4.49Å; I427-Y483 HydrophobicContact CB-CE2 4.41Å; I427-Y483 HydrophobicContact CG2-CD2 3.98Å; I427-Y483 HydrophobicContact CG2-CE2 4.27Å; C428-Y483 PolarHBondContact O-N 3.48Å; H429-Y483 CarbonylContact C-O 3.6Å; H429-Y483 VanDerWaalsContact CA-O 3.26Å; H429-Y483 WeakPolarHBondContact CA-O 3.34Å; H429-Y483 VanDerWaalsContact CD2-CB 3.44Å; H429-Y483 WeakPolarHBondContact CD2-CB 3.39Å; T430-Y483 PolarHBondContact N-O 3.18Å; D478-Y483 WeakPolarHBondContact OD1-CA 3.43Å; G479-Y483 VanDerWaalsContact CA-CE1 3.47Å; Y483-I485 PolarHBondContact O-N 2.92Å; Y483-I516 HydrophobicContact CD2-CD1 3.61Å; Y483-I516 HydrophobicContact CE2-CD1 3.54Å; Y483-I516 HydrophobicContact CE2-CG1 4.15Å
484	F	90.1	Very high	86.3	Confident	30 Å²	30	61.8 Å²	61.8	13%	0.132	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	108.9	-178.6	-62.6	-72.2	0	0	0	109.2	T430 R432 P434 E476 D478 Y482	T430-F484 HydrophobicContact CG2-CD1 3.5Å; T430-F484 VanDerWaalsContact CG2-CD1 3.5Å; T430-F484 HydrophobicContact CG2-CE1 3.7Å; R432-F484 WeakPolarHBondContact O-CD1 3.26Å; P434-F484 HydrophobicContact CB-CD2 4.34Å; P434-F484 HydrophobicContact CB-CE1 4.36Å; P434-F484 HydrophobicContact CB-CE2 3.94Å; P434-F484 HydrophobicContact CB-CZ 3.93Å; P434-F484 HydrophobicContact CG-CB 4.45Å; P434-F484 HydrophobicContact CG-CD1 4.16Å; P434-F484 HydrophobicContact CG-CD2 3.68Å; P434-F484 HydrophobicContact CG-CE1 4.24Å; P434-F484 HydrophobicContact CG-CE2 3.81Å; P434-F484 HydrophobicContact CG-CG 3.84Å; P434-F484 HydrophobicContact CG-CZ 4.07Å; E476-F484 HydrophobicContact CB-CE2 4.1Å; E476-F484 HydrophobicContact CB-CZ 3.81Å; D478-F484 HydrophobicContact CB-CD2 3.92Å; D478-F484 PolarHBondContact OD1-N 3.35Å; Y482-F484 HydrophobicContact CD2-CE1 4.2Å; Y482-F484 AromaticContact CD2-CZ 3.96Å; Y482-F484 HydrophobicContact CD2-CZ 3.96Å; Y482-F484 HydrophobicContact CG-CE1 4.36Å; Y482-F484 HydrophobicContact CG-CZ 4.34Å
485	I	91.6	Very high	87.8	Confident	36 Å²	36	63.2 Å²	63.2	19%	0.185	31%	0.314	C	S	.	.			trans	-121.1	163.4	179.6	58.7	174.9	0	0	0	109.3	H429 T430 D431 Y483 N489 F490 K493	H429-I485 HydrophobicContact CB-CD1 4.04Å; H429-I485 HydrophobicContact CB-CG1 4.44Å; T430-I485 PolarHBondContact O-N 3.22Å; D431-I485 VanDerWaalsContact CA-O 3.24Å; D431-I485 WeakPolarHBondContact CA-O 2.98Å; Y483-I485 PolarHBondContact O-N 2.92Å; I485-N489 HydrophobicContact CB-CB 4.42Å; I485-F490 HydrophobicContact CD1-CB 3.76Å; I485-F490 HydrophobicContact CD1-CD2 3.85Å; I485-F490 HydrophobicContact CD1-CG 4.24Å; I485-F490 HydrophobicContact CG1-CB 4.13Å; I485-F490 HydrophobicContact CG1-CD2 4.22Å; I485-K493 HydrophobicContact CD1-CD 4.13Å
486	N	90.4	Very high	88.8	Confident	78 Å²	78	63.2 Å²	63.2	42%	0.417	31%	0.314	S	S	.	.			trans	-78	162.9	172.4	67.7	1.6	0	0	0	110.6	E488 N489 F490	N486-E488 VanDerWaalsContact C-N 3.26Å; N486-E488 PolarHBondContact O-N 3.42Å; N486-N489 PolarHBondContact O-N 3.14Å; N486-N489 WeakPolarHBondContact OD1-CB 3.44Å; N486-N489 PolarHBondContact OD1-N 3.34Å; N486-N489 PolarHBondContact OD1-ND2 2.66Å; N486-N489 VanDerWaalsContact OD1-ND2 3.11Å; N486-F490 PolarHBondContact O-N 2.85Å
487	K	90	Very high	89.2	Confident	112 Å²	112	62.7 Å²	62.7	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-58.9	-35.2	-179.4	-168.5	170.8	-175	171.1	0	113.2	D431 F490 N491	D431-K487 HydrophobicContact CB-CB 4.19Å; K487-F490 PolarHBondContact O-N 3.03Å; K487-N491 WeakPolarHBondContact O-CB 3.4Å; K487-N491 PolarHBondContact O-N 3.06Å; K487-N491 PolarHBondContact O-ND2 3Å
488	E	93.1	Very high	89.6	Confident	152 Å²	152	60.4 Å²	60.4	71%	0.71	30%	0.3	S	S	*	.	H	α-helix	trans	-65.2	-46.8	177.2	-67.3	177.8	179.2	0	0	112.3	N486 F490 N491 K492	N486-E488 VanDerWaalsContact C-N 3.26Å; N486-E488 PolarHBondContact O-N 3.42Å; E488-F490 VanDerWaalsContact C-N 3.33Å; E488-N491 PolarHBondContact O-N 3.09Å; E488-K492 WeakPolarHBondContact O-CB 3.5Å; E488-K492 PolarHBondContact O-N 3.28Å
489	N	93.6	Very high	89.9	Confident	82 Å²	82	55.9 Å²	55.9	44%	0.439	28%	0.276	S	S	.	.	H	α-helix	trans	-68.4	-35.1	176.6	-70.3	-21.3	0	0	0	111.5	I485 N486 K492 K493	I485-N489 HydrophobicContact CB-CB 4.42Å; N486-N489 PolarHBondContact O-N 3.14Å; N486-N489 WeakPolarHBondContact OD1-CB 3.44Å; N486-N489 PolarHBondContact OD1-N 3.34Å; N486-N489 PolarHBondContact OD1-ND2 2.66Å; N486-N489 VanDerWaalsContact OD1-ND2 3.11Å; N489-K492 PolarHBondContact O-N 3.27Å; N489-K493 WeakPolarHBondContact O-CG 3.48Å; N489-K493 PolarHBondContact O-N 3.27Å
490	F	93.7	Very high	90.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-51.4	173.5	-169.8	-78.6	0	0	0	110.6	H429 I485 N486 K487 E488 K492 K493 Q494 F499 T502 Q509	H429-F490 HydrophobicContact CB-CD2 4.33Å; H429-F490 HydrophobicContact CB-CE2 4.21Å; I485-F490 HydrophobicContact CD1-CB 3.76Å; I485-F490 HydrophobicContact CD1-CD2 3.85Å; I485-F490 HydrophobicContact CD1-CG 4.24Å; I485-F490 HydrophobicContact CG1-CB 4.13Å; I485-F490 HydrophobicContact CG1-CD2 4.22Å; N486-F490 PolarHBondContact O-N 2.85Å; K487-F490 PolarHBondContact O-N 3.03Å; E488-F490 VanDerWaalsContact C-N 3.33Å; F490-K492 VanDerWaalsContact C-N 3.29Å; F490-K492 PolarHBondContact O-N 3.28Å; F490-K493 PolarHBondContact O-N 3.17Å; F490-Q494 PolarHBondContact O-N 3.43Å; F490-F499 HydrophobicContact CD1-CE2 4.1Å; F490-F499 HydrophobicContact CD2-CE2 4.25Å; F490-F499 AromaticContact CD2-CZ 3.9Å; F490-F499 HydrophobicContact CD2-CZ 3.9Å; F490-F499 HydrophobicContact CE1-CD2 4.43Å; F490-F499 AromaticContact CE1-CE2 3.84Å; F490-F499 HydrophobicContact CE1-CE2 3.84Å; F490-F499 HydrophobicContact CE1-CZ 4.36Å; F490-F499 HydrophobicContact CE2-CE1 4.34Å; F490-F499 HydrophobicContact CE2-CE2 4Å; F490-F499 AromaticContact CE2-CZ 3.68Å; F490-F499 HydrophobicContact CE2-CZ 3.68Å; F490-F499 HydrophobicContact CG-CE2 4.28Å; F490-F499 HydrophobicContact CG-CZ 4.33Å; F490-F499 HydrophobicContact CZ-CD2 4.37Å; F490-F499 AromaticContact CZ-CE2 3.79Å; F490-F499 HydrophobicContact CZ-CE2 3.79Å; F490-F499 AromaticContact CZ-CZ 3.92Å; F490-F499 HydrophobicContact CZ-CZ 3.92Å; F490-T502 HydrophobicContact CE1-CG2 3.82Å; F490-T502 HydrophobicContact CZ-CG2 3.66Å; F490-Q509 HydrophobicContact CD1-CB 3.89Å; F490-Q509 HydrophobicContact CD2-CB 4.43Å; F490-Q509 HydrophobicContact CE1-CB 3.62Å; F490-Q509 HydrophobicContact CE1-CG 4.38Å; F490-Q509 HydrophobicContact CE2-CB 4.19Å; F490-Q509 HydrophobicContact CG-CB 4.31Å; F490-Q509 HydrophobicContact CZ-CB 3.78Å
491	N	92.7	Very high	90.4	Very high	53 Å²	53	51.6 Å²	51.6	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-39.4	177.2	-70.3	-23.1	0	0	0	111.8	K487 E488 Q494 I495 Q509	K487-N491 WeakPolarHBondContact O-CB 3.4Å; K487-N491 PolarHBondContact O-N 3.06Å; K487-N491 PolarHBondContact O-ND2 3Å; E488-N491 PolarHBondContact O-N 3.09Å; N491-Q494 WeakPolarHBondContact O-CB 3.25Å; N491-Q494 PolarHBondContact O-N 2.88Å; N491-I495 VanDerWaalsContact O-CG1 3.29Å; N491-I495 WeakPolarHBondContact O-CG1 3.47Å; N491-I495 PolarHBondContact O-N 2.97Å; N491-Q509 PolarHBondContact OD1-OE1 3.09Å
492	K	93.1	Very high	90.8	Very high	130 Å²	130	51.9 Å²	51.9	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-59.7	-49.9	174.5	-177.1	175.8	175.7	179.3	0	111.4	E488 N489 F490 Q494 I495 D496	E488-K492 WeakPolarHBondContact O-CB 3.5Å; E488-K492 PolarHBondContact O-N 3.28Å; N489-K492 PolarHBondContact O-N 3.27Å; F490-K492 VanDerWaalsContact C-N 3.29Å; F490-K492 PolarHBondContact O-N 3.28Å; K492-Q494 VanDerWaalsContact C-N 3.26Å; K492-Q494 PolarHBondContact O-N 2.87Å; K492-I495 PolarHBondContact O-N 2.84Å; K492-D496 WeakPolarHBondContact CG-OD2 3.01Å; K492-D496 VanDerWaalsContact O-CB 3.31Å; K492-D496 WeakPolarHBondContact O-CB 3.38Å; K492-D496 PolarHBondContact O-N 3.07Å
493	K	91.9	Very high	90.8	Very high	46 Å²	46	51.1 Å²	51.1	20%	0.2	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-34.8	175.6	-75	-173.8	164.4	-76.3	0	112.9	I485 N489 F490 D496 G497 E498 F499	I485-K493 HydrophobicContact CD1-CD 4.13Å; N489-K493 WeakPolarHBondContact O-CG 3.48Å; N489-K493 PolarHBondContact O-N 3.27Å; F490-K493 PolarHBondContact O-N 3.17Å; K493-D496 CarbonylContact O-C 3.59Å; K493-G497 PolarHBondContact O-N 3.49Å; K493-E498 HydrophobicContact CB-CB 4.47Å; K493-E498 WeakPolarHBondContact CG-OE2 3.46Å; K493-E498 IonicContact NZ-OE2 2.93Å; K493-E498 PolarHBondContact NZ-OE2 3.11Å; K493-E498 PolarHBondContact O-N 3.46Å; K493-F499 HydrophobicContact CB-CD2 4.44Å; K493-F499 HydrophobicContact CB-CE2 3.64Å; K493-F499 HydrophobicContact CB-CZ 3.75Å; K493-F499 HydrophobicContact CD-CZ 4.26Å
494	Q	89.8	Confident	90.7	Very high	29 Å²	29	53 Å²	53	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-67.6	-46.7	174.8	-169	179.9	26.7	0	0	111.7	H375 F490 N491 K492 D496 G497 F499 T502	H375-Q494 WeakPolarHBondContact CB-O 3.38Å; H375-Q494 PolarHBondContact CD2-O 3.33Å; F490-Q494 PolarHBondContact O-N 3.43Å; N491-Q494 WeakPolarHBondContact O-CB 3.25Å; N491-Q494 PolarHBondContact O-N 2.88Å; K492-Q494 VanDerWaalsContact C-N 3.26Å; K492-Q494 PolarHBondContact O-N 2.87Å; Q494-D496 VanDerWaalsContact C-N 3.26Å; Q494-D496 PolarHBondContact O-N 3.04Å; Q494-G497 WeakPolarHBondContact O-CA 3.49Å; Q494-G497 PolarHBondContact O-N 3.45Å; Q494-F499 HydrophobicContact CB-CD2 3.93Å; Q494-F499 HydrophobicContact CB-CE2 4.13Å; Q494-F499 HydrophobicContact CG-CD2 4.4Å; Q494-T502 PolarHBondContact NE2-OG1 3.38Å; Q494-T502 VanDerWaalsContact NE2-OG1 3.08Å
495	I	89.1	Confident	90.3	Very high	99 Å²	99	52.7 Å²	52.7	51%	0.508	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-36.8	176.5	-68.6	165.5	0	0	0	111	H375 N491 K492 G497	H375-I495 PolarHBondContact ND1-O 3.46Å; H375-I495 VanDerWaalsContact ND1-O 3.1Å; N491-I495 VanDerWaalsContact O-CG1 3.29Å; N491-I495 WeakPolarHBondContact O-CG1 3.47Å; N491-I495 PolarHBondContact O-N 2.97Å; K492-I495 PolarHBondContact O-N 2.84Å; I495-G497 PolarHBondContact O-N 3.37Å
496	D	88.9	Confident	89.6	Confident	55 Å²	55	51.8 Å²	51.8	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-2.1	172.8	-65.3	-23.3	0	0	0	111.5	K379 K492 K493 Q494 E498	K379-D496 WeakPolarHBondContact CD-O 3.2Å; K379-D496 WeakPolarHBondContact CE-O 3.38Å; K379-D496 PolarHBondContact NZ-O 3.03Å; K492-D496 WeakPolarHBondContact CG-OD2 3.01Å; K492-D496 VanDerWaalsContact O-CB 3.31Å; K492-D496 WeakPolarHBondContact O-CB 3.38Å; K492-D496 PolarHBondContact O-N 3.07Å; K493-D496 CarbonylContact O-C 3.59Å; Q494-D496 VanDerWaalsContact C-N 3.26Å; Q494-D496 PolarHBondContact O-N 3.04Å; D496-E498 VanDerWaalsContact C-N 3.28Å; D496-E498 HydrophobicContact CB-CG 4.09Å; D496-E498 PolarHBondContact O-N 3.24Å
497	G	87.5	Confident	89.1	Confident	5 Å²	5	49.7 Å²	49.7	5%	0.052	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	29.4	175.4	0	0	0	0	0	114	Q376 K493 Q494 I495	Q376-G497 VanDerWaalsContact CG-O 3.24Å; Q376-G497 WeakPolarHBondContact CG-O 3.24Å; K493-G497 PolarHBondContact O-N 3.49Å; Q494-G497 WeakPolarHBondContact O-CA 3.49Å; Q494-G497 PolarHBondContact O-N 3.45Å; I495-G497 PolarHBondContact O-N 3.37Å
498	E	90.3	Very high	88.9	Confident	50 Å²	50	46.9 Å²	46.9	23%	0.234	24%	0.237	C	C	.	.			trans	-81.2	-20.5	-178.8	-64	-172.6	177	0	0	113.3	K379 K493 D496 S513 W514	K379-E498 IonicContact NZ-OE1 3Å; K493-E498 HydrophobicContact CB-CB 4.47Å; K493-E498 WeakPolarHBondContact CG-OE2 3.46Å; K493-E498 IonicContact NZ-OE2 2.93Å; K493-E498 PolarHBondContact NZ-OE2 3.11Å; K493-E498 PolarHBondContact O-N 3.46Å; D496-E498 VanDerWaalsContact C-N 3.28Å; D496-E498 HydrophobicContact CB-CG 4.09Å; D496-E498 PolarHBondContact O-N 3.24Å; E498-S513 WeakPolarHBondContact O-CA 3.45Å; E498-W514 PolarHBondContact O-N 3.12Å
499	F	92	Very high	88.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	139	-179.7	-62.9	-56.8	0	0	0	112.3	Q376 H429 F490 K493 Q494 T502 L512	Q376-F499 PolarHBondContact NE2-O 3.4Å; H429-F499 HydrophobicContact CB-CE1 3.89Å; H429-F499 HydrophobicContact CB-CZ 4.12Å; H429-F499 AromaticContact CG-CE1 3.91Å; H429-F499 AromaticContact ND1-CE1 3.8Å; F490-F499 HydrophobicContact CD1-CE2 4.1Å; F490-F499 HydrophobicContact CD2-CE2 4.25Å; F490-F499 AromaticContact CD2-CZ 3.9Å; F490-F499 HydrophobicContact CD2-CZ 3.9Å; F490-F499 HydrophobicContact CE1-CD2 4.43Å; F490-F499 AromaticContact CE1-CE2 3.84Å; F490-F499 HydrophobicContact CE1-CE2 3.84Å; F490-F499 HydrophobicContact CE1-CZ 4.36Å; F490-F499 HydrophobicContact CE2-CE1 4.34Å; F490-F499 HydrophobicContact CE2-CE2 4Å; F490-F499 AromaticContact CE2-CZ 3.68Å; F490-F499 HydrophobicContact CE2-CZ 3.68Å; F490-F499 HydrophobicContact CG-CE2 4.28Å; F490-F499 HydrophobicContact CG-CZ 4.33Å; F490-F499 HydrophobicContact CZ-CD2 4.37Å; F490-F499 AromaticContact CZ-CE2 3.79Å; F490-F499 HydrophobicContact CZ-CE2 3.79Å; F490-F499 AromaticContact CZ-CZ 3.92Å; F490-F499 HydrophobicContact CZ-CZ 3.92Å; K493-F499 HydrophobicContact CB-CD2 4.44Å; K493-F499 HydrophobicContact CB-CE2 3.64Å; K493-F499 HydrophobicContact CB-CZ 3.75Å; K493-F499 HydrophobicContact CD-CZ 4.26Å; Q494-F499 HydrophobicContact CB-CD2 3.93Å; Q494-F499 HydrophobicContact CB-CE2 4.13Å; Q494-F499 HydrophobicContact CG-CD2 4.4Å; F499-T502 HydrophobicContact CB-CG2 3.81Å; F499-T502 HydrophobicContact CD2-CG2 3.51Å; F499-T502 HydrophobicContact CE2-CG2 4.22Å; F499-T502 HydrophobicContact CG-CG2 3.73Å; F499-L512 CarbonylContact C-O 3.59Å; F499-L512 WeakPolarHBondContact CA-O 3.2Å
500	I	88	Confident	88.8	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-49.6	165.1	-47.3	-165.5	0	0	0	109	L512 W514 L517 A542 L544	I500-L512 HydrophobicContact CD1-CD2 4.02Å; I500-L512 HydrophobicContact CD1-CG 4.22Å; I500-L512 HydrophobicContact CG1-CG 4.48Å; I500-L512 WeakPolarHBondContact CG1-O 3.42Å; I500-L512 PolarHBondContact N-O 3.21Å; I500-W514 HydrophobicContact CB-CZ2 4.25Å; I500-W514 HydrophobicContact CD1-CD2 3.77Å; I500-W514 HydrophobicContact CD1-CE3 3.72Å; I500-W514 HydrophobicContact CD1-CG 4.3Å; I500-W514 HydrophobicContact CD1-CH2 4.25Å; I500-W514 HydrophobicContact CD1-CZ2 4.29Å; I500-W514 HydrophobicContact CD1-CZ3 3.97Å; I500-W514 HydrophobicContact CG1-CB 4.43Å; I500-W514 HydrophobicContact CG1-CD2 3.54Å; I500-W514 HydrophobicContact CG1-CE3 4.06Å; I500-W514 HydrophobicContact CG1-CG 3.73Å; I500-W514 HydrophobicContact CG1-CZ2 4.06Å; I500-W514 HydrophobicContact CG2-CH2 4.22Å; I500-W514 HydrophobicContact CG2-CZ2 3.74Å; I500-L517 HydrophobicContact CD1-CB 4.09Å; I500-L517 HydrophobicContact CD1-CD2 3.6Å; I500-L517 HydrophobicContact CD1-CG 4.49Å; I500-A542 HydrophobicContact CG2-CB 3.58Å; I500-L544 HydrophobicContact CD1-CD1 4.08Å; I500-L544 HydrophobicContact CG2-CD1 3.97Å
501	Q	89	Confident	88.8	Confident	5 Å²	5	39 Å²	39	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	145.5	-177.1	-178.7	68.9	24	0	0	109.2	A365 D368 G511 L512 G538	A365-Q501 PolarHBondContact O-NE2 3.19Å; D368-Q501 VanDerWaalsContact OD2-CD 3.31Å; D368-Q501 PolarHBondContact OD2-NE2 3.03Å; Q501-G511 WeakPolarHBondContact O-CA 3.5Å; Q501-L512 PolarHBondContact O-N 3.05Å; Q501-G538 VanDerWaalsContact CD-CA 3.46Å
502	T	91.9	Very high	88.8	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	159.6	166.3	46.3	0	0	0	0	111.3	D368 N372 F490 Q494 F499 Y510	D368-T502 WeakPolarHBondContact OD1-CB 3.32Å; D368-T502 PolarHBondContact OD1-OG1 3.19Å; D368-T502 WeakPolarHBondContact OD2-CA 3.41Å; D368-T502 PolarHBondContact OD2-N 3.14Å; D368-T502 PolarHBondContact OD2-OG1 3.31Å; N372-T502 PolarHBondContact ND2-N 3.24Å; N372-T502 PolarHBondContact ND2-OG1 3.44Å; N372-T502 VanDerWaalsContact ND2-OG1 3.07Å; F490-T502 HydrophobicContact CE1-CG2 3.82Å; F490-T502 HydrophobicContact CZ-CG2 3.66Å; Q494-T502 PolarHBondContact NE2-OG1 3.38Å; Q494-T502 VanDerWaalsContact NE2-OG1 3.08Å; F499-T502 HydrophobicContact CB-CG2 3.81Å; F499-T502 HydrophobicContact CD2-CG2 3.51Å; F499-T502 HydrophobicContact CE2-CG2 4.22Å; F499-T502 HydrophobicContact CG-CG2 3.73Å; T502-Y510 CarbonylContact C-O 3.52Å; T502-Y510 WeakPolarHBondContact CA-O 3.45Å
503	A	89.6	Confident	88.8	Confident	17 Å²	17	30.4 Å²	30.4	14%	0.14	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148.4	175.9	0	0	0	0	0	109.3	Q509 Y510 E534	A503-Q509 CarbonylContact O-C 3.58Å; A503-Q509 WeakPolarHBondContact O-CA 3.43Å; A503-Y510 PolarHBondContact N-O 2.93Å; A503-Y510 PolarHBondContact O-N 2.94Å; A503-E534 HydrophobicContact CB-CB 3.81Å; A503-E534 HydrophobicContact CB-CG 4.39Å
504	Q	87.7	Confident	88.6	Confident	128 Å²	128	29.5 Å²	29.5	60%	0.598	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.3	173.9	-165.8	177.2	8.5	0	0	110	G507 Y508	Q504-G507 PolarHBondContact NE2-O 3.04Å; Q504-Y508 CarbonylContact C-O 3.51Å; Q504-Y508 WeakPolarHBondContact CA-O 3.24Å; Q504-Y508 WeakPolarHBondContact CG-O 3.27Å
505	I	81.8	Confident	88.6	Confident	24 Å²	24	33.7 Å²	33.7	12%	0.123	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.4	-177.2	-56.5	175.8	0	0	0	107.8	G507 Y508 Y510 E532 Y598	I505-G507 PolarHBondContact O-N 3.41Å; I505-G507 VanDerWaalsContact O-N 3.17Å; I505-Y508 PolarHBondContact N-O 3.44Å; I505-Y508 PolarHBondContact O-N 3.19Å; I505-Y510 HydrophobicContact CB-CD2 3.99Å; I505-Y510 HydrophobicContact CB-CE2 3.83Å; I505-Y510 HydrophobicContact CD1-CD2 4.21Å; I505-Y510 HydrophobicContact CG1-CD2 4.2Å; I505-Y510 HydrophobicContact CG1-CE2 4.5Å; I505-E532 HydrophobicContact CD1-CB 4.36Å; I505-E532 HydrophobicContact CD1-CG 4.29Å; I505-E532 WeakPolarHBondContact CG2-OE1 3.49Å; I505-Y598 WeakPolarHBondContact CG2-OH 3.33Å
506	M	76.7	Confident	88.7	Confident	18 Å²	18	30 Å²	30	9%	0.089	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	30.1	-174.6	-56.9	-167.1	76.3	0	0	114.6	Y508 I567 I570 W594 Y598	M506-Y508 VanDerWaalsContact C-N 3.27Å; M506-Y508 HydrophobicContact CB-CD2 4.21Å; M506-Y508 WeakPolarHBondContact O-CD2 3.35Å; M506-Y508 VanDerWaalsContact O-CE2 3.32Å; M506-Y508 WeakPolarHBondContact O-CE2 3.46Å; M506-Y508 PolarHBondContact O-N 3.29Å; M506-I567 HydrophobicContact CE-CB 4.25Å; M506-I567 HydrophobicContact CE-CD1 3.52Å; M506-I567 HydrophobicContact CE-CG1 3.53Å; M506-I567 HydrophobicContact CE-CG2 3.87Å; M506-I567 HydrophobicContact SD-CD1 4.48Å; M506-I567 HydrophobicContact SD-CG1 4.19Å; M506-I570 HydrophobicContact SD-CD1 4.23Å; M506-W594 HydrophobicContact CE-CB 4.12Å; M506-W594 HydrophobicContact CE-CG 4.24Å; M506-Y598 HydrophobicContact CE-CE2 4.08Å; M506-Y598 HydrophobicContact CG-CE2 3.59Å; M506-Y598 WeakPolarHBondContact CG-OH 3.43Å; M506-Y598 HydrophobicContact SD-CE2 3.76Å
507	G	80.7	Confident	88.8	Confident	33 Å²	33	27.4 Å²	27.4	34%	0.34	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-12	-175.5	0	0	0	0	0	114.9	Q504 I505	Q504-G507 PolarHBondContact NE2-O 3.04Å; I505-G507 PolarHBondContact O-N 3.41Å; I505-G507 VanDerWaalsContact O-N 3.17Å
508	Y	86.8	Confident	88.8	Confident	53 Å²	53	27.3 Å²	27.3	21%	0.208	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	146.7	178	-61.2	-67.8	0	0	0	112.1	D431 R432 Q504 I505 M506 I570 Q574	D431-Y508 WeakPolarHBondContact OD1-CA 2.87Å; D431-Y508 WeakPolarHBondContact OD1-CB 3.14Å; R432-Y508 HydrophobicContact CB-CD1 3.95Å; R432-Y508 HydrophobicContact CB-CG 3.88Å; R432-Y508 HydrophobicContact CG-CD1 4.22Å; R432-Y508 HydrophobicContact CG-CD2 4.2Å; R432-Y508 HydrophobicContact CG-CG 4.04Å; Q504-Y508 CarbonylContact C-O 3.51Å; Q504-Y508 WeakPolarHBondContact CA-O 3.24Å; Q504-Y508 WeakPolarHBondContact CG-O 3.27Å; I505-Y508 PolarHBondContact N-O 3.44Å; I505-Y508 PolarHBondContact O-N 3.19Å; M506-Y508 VanDerWaalsContact C-N 3.27Å; M506-Y508 HydrophobicContact CB-CD2 4.21Å; M506-Y508 WeakPolarHBondContact O-CD2 3.35Å; M506-Y508 VanDerWaalsContact O-CE2 3.32Å; M506-Y508 WeakPolarHBondContact O-CE2 3.46Å; M506-Y508 PolarHBondContact O-N 3.29Å; Y508-I570 HydrophobicContact CE2-CG2 4.26Å; Y508-Q574 PolarHBondContact OH-NE2 2.99Å; Y508-Q574 PolarHBondContact OH-OE1 2.81Å
509	Q	91.1	Very high	88.8	Confident	31 Å²	31	27.4 Å²	27.4	15%	0.145	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	138.2	177.3	-61.5	178.9	-74.7	0	0	110.1	T430 D431 F490 N491 A503	T430-Q509 WeakPolarHBondContact CA-O 2.97Å; T430-Q509 WeakPolarHBondContact CB-O 3.43Å; T430-Q509 PolarHBondContact OG1-O 2.86Å; D431-Q509 PolarHBondContact N-O 2.96Å; D431-Q509 PolarHBondContact OD1-N 3.29Å; F490-Q509 HydrophobicContact CD1-CB 3.89Å; F490-Q509 HydrophobicContact CD2-CB 4.43Å; F490-Q509 HydrophobicContact CE1-CB 3.62Å; F490-Q509 HydrophobicContact CE1-CG 4.38Å; F490-Q509 HydrophobicContact CE2-CB 4.19Å; F490-Q509 HydrophobicContact CG-CB 4.31Å; F490-Q509 HydrophobicContact CZ-CB 3.78Å; N491-Q509 PolarHBondContact OD1-OE1 3.09Å; A503-Q509 CarbonylContact O-C 3.58Å; A503-Q509 WeakPolarHBondContact O-CA 3.43Å
510	Y	92.8	Very high	88.7	Confident	37 Å²	37	27.7 Å²	27.7	15%	0.145	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136	174.6	-68.1	-94.4	0	0	0	108.2	H429 T430 R432 Y482 T502 A503 I505	H429-Y510 CarbonylContact O-C 3.5Å; H429-Y510 VanDerWaalsContact O-CA 3.32Å; H429-Y510 WeakPolarHBondContact O-CA 3.44Å; T430-Y510 HydrophobicContact CG2-CE1 4.27Å; T430-Y510 WeakPolarHBondContact OG1-CE1 3.44Å; R432-Y510 PolarHBondContact NE-OH 3.21Å; Y482-Y510 HydrophobicContact CD1-CD1 4.39Å; Y482-Y510 HydrophobicContact CD1-CE1 4.39Å; Y482-Y510 HydrophobicContact CE1-CD1 4.02Å; Y482-Y510 AromaticContact CE1-CE1 3.95Å; Y482-Y510 HydrophobicContact CE1-CE1 3.95Å; T502-Y510 CarbonylContact C-O 3.52Å; T502-Y510 WeakPolarHBondContact CA-O 3.45Å; A503-Y510 PolarHBondContact N-O 2.93Å; A503-Y510 PolarHBondContact O-N 2.94Å; I505-Y510 HydrophobicContact CB-CD2 3.99Å; I505-Y510 HydrophobicContact CB-CE2 3.83Å; I505-Y510 HydrophobicContact CD1-CD2 4.21Å; I505-Y510 HydrophobicContact CG1-CD2 4.2Å; I505-Y510 HydrophobicContact CG1-CE2 4.5Å
511	G	93.4	Very high	88.7	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	126.5	-174.7	0	0	0	0	0	111.7	C428 H429 Q501	C428-G511 CarbonylContact C-O 3.45Å; C428-G511 WeakPolarHBondContact CA-O 3.37Å; H429-G511 PolarHBondContact N-O 3.27Å; H429-G511 PolarHBondContact O-N 2.78Å; Q501-G511 WeakPolarHBondContact O-CA 3.5Å
512	L	93.5	Very high	88.7	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.6	172.9	-176.1	69.9	0	0	0	109.1	L426 F499 I500 Q501 V529 L539	L426-L512 HydrophobicContact CD1-CD1 3.72Å; L426-L512 HydrophobicContact CD2-CD1 4.13Å; L426-L512 HydrophobicContact CD2-CD2 4.1Å; L426-L512 HydrophobicContact CG-CD1 3.59Å; L426-L512 HydrophobicContact CG-CD2 4.48Å; F499-L512 CarbonylContact C-O 3.59Å; F499-L512 WeakPolarHBondContact CA-O 3.2Å; I500-L512 HydrophobicContact CD1-CD2 4.02Å; I500-L512 HydrophobicContact CD1-CG 4.22Å; I500-L512 HydrophobicContact CG1-CG 4.48Å; I500-L512 WeakPolarHBondContact CG1-O 3.42Å; I500-L512 PolarHBondContact N-O 3.21Å; Q501-L512 PolarHBondContact O-N 3.05Å; L512-V529 HydrophobicContact CD1-CG2 4.48Å; L512-L539 HydrophobicContact CD2-CD2 3.59Å
513	S	92.2	Very high	88.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	148.5	-176.7	72.2	0	0	0	0	113.2	H429 E498 E515 I516 L517	H429-S513 PolarHBondContact CE1-OG 3.47Å; E498-S513 WeakPolarHBondContact O-CA 3.45Å; S513-E515 VanDerWaalsContact C-N 3.3Å; S513-I516 WeakPolarHBondContact OG-CD1 3.39Å; S513-I516 VanDerWaalsContact OG-CG1 3.24Å; S513-I516 WeakPolarHBondContact OG-CG1 3.27Å; S513-I516 PolarHBondContact OG-N 3.16Å; S513-L517 PolarHBondContact O-N 2.95Å
514	W	88	Confident	88.3	Confident	27 Å²	27	44.8 Å²	44.8	10%	0.102	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-38.5	172.9	-78.7	108.3	0	0	0	112	R384 E498 I500 I516 L517 E518 L544	R384-W514 VanDerWaalsContact CZ-CD2 3.44Å; R384-W514 VanDerWaalsContact NH1-CD2 3.33Å; E498-W514 PolarHBondContact O-N 3.12Å; I500-W514 HydrophobicContact CB-CZ2 4.25Å; I500-W514 HydrophobicContact CD1-CD2 3.77Å; I500-W514 HydrophobicContact CD1-CE3 3.72Å; I500-W514 HydrophobicContact CD1-CG 4.3Å; I500-W514 HydrophobicContact CD1-CH2 4.25Å; I500-W514 HydrophobicContact CD1-CZ2 4.29Å; I500-W514 HydrophobicContact CD1-CZ3 3.97Å; I500-W514 HydrophobicContact CG1-CB 4.43Å; I500-W514 HydrophobicContact CG1-CD2 3.54Å; I500-W514 HydrophobicContact CG1-CE3 4.06Å; I500-W514 HydrophobicContact CG1-CG 3.73Å; I500-W514 HydrophobicContact CG1-CZ2 4.06Å; I500-W514 HydrophobicContact CG2-CH2 4.22Å; I500-W514 HydrophobicContact CG2-CZ2 3.74Å; W514-I516 VanDerWaalsContact C-N 3.29Å; W514-I516 PolarHBondContact O-N 2.97Å; W514-L517 HydrophobicContact CE3-CD2 4.11Å; W514-L517 HydrophobicContact CZ3-CD2 3.84Å; W514-L517 PolarHBondContact O-N 3.22Å; W514-L517 VanDerWaalsContact O-N 3.17Å; W514-E518 WeakPolarHBondContact O-CB 3.24Å; W514-E518 WeakPolarHBondContact O-CG 3.32Å; W514-E518 PolarHBondContact O-N 2.86Å; W514-L544 HydrophobicContact CH2-CD1 4.33Å; W514-L544 HydrophobicContact CH2-CD2 4.32Å; W514-L544 HydrophobicContact CZ3-CD2 4.38Å
515	E	89.8	Confident	88.4	Confident	118 Å²	118	40.3 Å²	40.3	55%	0.551	21%	0.209	S	C	*	.	H	α-helix	trans	-56.5	-42.5	-179.1	-176.8	-177.1	-175.2	0	0	112.3	S513 S519	S513-E515 VanDerWaalsContact C-N 3.3Å; E515-S519 WeakPolarHBondContact O-CB 3.32Å; E515-S519 PolarHBondContact O-N 3.01Å
516	I	90.6	Very high	88.7	Confident	22 Å²	22	39.8 Å²	39.8	11%	0.113	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-47.6	178.6	-63.4	169	0	0	0	109.3	L426 I427 Y483 S513 W514 E518 S519 I520	L426-I516 HydrophobicContact CD1-CB 4.32Å; L426-I516 HydrophobicContact CD1-CG2 3.64Å; I427-I516 WeakPolarHBondContact O-CD1 3.42Å; Y483-I516 HydrophobicContact CD2-CD1 3.61Å; Y483-I516 HydrophobicContact CE2-CD1 3.54Å; Y483-I516 HydrophobicContact CE2-CG1 4.15Å; S513-I516 WeakPolarHBondContact OG-CD1 3.39Å; S513-I516 VanDerWaalsContact OG-CG1 3.24Å; S513-I516 WeakPolarHBondContact OG-CG1 3.27Å; S513-I516 PolarHBondContact OG-N 3.16Å; W514-I516 VanDerWaalsContact C-N 3.29Å; W514-I516 PolarHBondContact O-N 2.97Å; I516-E518 VanDerWaalsContact C-N 3.34Å; I516-E518 PolarHBondContact O-N 3.07Å; I516-S519 WeakPolarHBondContact O-CB 3.43Å; I516-S519 PolarHBondContact O-N 3.27Å; I516-S519 VanDerWaalsContact O-N 3.11Å; I516-I520 HydrophobicContact CG2-CD1 4.5Å; I516-I520 WeakPolarHBondContact O-CG1 3.36Å; I516-I520 PolarHBondContact O-N 3.24Å
517	L	90.4	Very high	89.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-44.2	179	-174.7	62.7	0	0	0	112	C386 Y395 I397 L426 I500 S513 W514 S519 I520 A521 L544	C386-L517 HydrophobicContact CB-CD2 4.41Å; C386-L517 HydrophobicContact CB-CG 4.33Å; Y395-L517 HydrophobicContact CD1-CD1 3.62Å; Y395-L517 HydrophobicContact CD1-CG 4.33Å; Y395-L517 HydrophobicContact CE1-CD1 3.38Å; Y395-L517 HydrophobicContact CE1-CG 4.33Å; I397-L517 HydrophobicContact CD1-CD1 3.84Å; I397-L517 HydrophobicContact CD1-CD2 4.23Å; I397-L517 HydrophobicContact CG1-CD1 4.25Å; L426-L517 HydrophobicContact CD1-CB 4.36Å; L426-L517 HydrophobicContact CD1-CD1 4.29Å; L426-L517 HydrophobicContact CD2-CD1 3.89Å; I500-L517 HydrophobicContact CD1-CB 4.09Å; I500-L517 HydrophobicContact CD1-CD2 3.6Å; I500-L517 HydrophobicContact CD1-CG 4.49Å; S513-L517 PolarHBondContact O-N 2.95Å; W514-L517 HydrophobicContact CE3-CD2 4.11Å; W514-L517 HydrophobicContact CZ3-CD2 3.84Å; W514-L517 PolarHBondContact O-N 3.22Å; W514-L517 VanDerWaalsContact O-N 3.17Å; L517-S519 VanDerWaalsContact C-N 3.33Å; L517-S519 PolarHBondContact O-N 3.05Å; L517-I520 PolarHBondContact O-N 3Å; L517-A521 WeakPolarHBondContact O-CB 3.33Å; L517-A521 PolarHBondContact O-N 3.44Å; L517-L544 HydrophobicContact CD2-CD1 3.82Å; L517-L544 HydrophobicContact CD2-CD2 4.01Å
518	E	89.1	Confident	90	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-38.3	175.3	-72.7	178.8	-177.3	0	0	111.9	R382 R384 W514 I516 I520 A521 R522	R382-E518 IonicContact CZ-OE1 2.63Å; R382-E518 IonicContact CZ-OE2 2.63Å; R382-E518 IonicContact NE-OE1 3.34Å; R382-E518 IonicContact NH2-OE1 3.82Å; R382-E518 PolarHBondContact NH2-OE1 3.24Å; R382-E518 IonicContact NH2-OE2 3.32Å; R382-E518 PolarHBondContact NH2-OE2 2.83Å; R384-E518 HydrophobicContact CB-CG 4.41Å; R384-E518 WeakPolarHBondContact CG-OE1 3.24Å; W514-E518 WeakPolarHBondContact O-CB 3.24Å; W514-E518 WeakPolarHBondContact O-CG 3.32Å; W514-E518 PolarHBondContact O-N 2.86Å; I516-E518 VanDerWaalsContact C-N 3.34Å; I516-E518 PolarHBondContact O-N 3.07Å; E518-I520 VanDerWaalsContact C-N 3.3Å; E518-I520 PolarHBondContact O-N 2.7Å; E518-A521 PolarHBondContact O-N 3.19Å; E518-R522 VanDerWaalsContact O-CG 3.31Å; E518-R522 WeakPolarHBondContact O-CG 3.39Å; E518-R522 PolarHBondContact O-N 2.67Å; E518-R522 IonicContact OE2-CZ 3.9Å; E518-R522 IonicContact OE2-NH2 3.21Å; E518-R522 PolarHBondContact OE2-NH2 3.3Å
519	S	89.8	Confident	90.3	Very high	51 Å²	51	34.8 Å²	34.8	36%	0.357	18%	0.177	S	C	.	.	H	α-helix	trans	-63	-37.1	177	-167.6	0	0	0	0	112.1	E515 I516 L517	E515-S519 WeakPolarHBondContact O-CB 3.32Å; E515-S519 PolarHBondContact O-N 3.01Å; I516-S519 WeakPolarHBondContact O-CB 3.43Å; I516-S519 PolarHBondContact O-N 3.27Å; I516-S519 VanDerWaalsContact O-N 3.11Å; L517-S519 VanDerWaalsContact C-N 3.33Å; L517-S519 PolarHBondContact O-N 3.05Å
520	I	89.6	Confident	90.3	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-43	172.2	-52.3	179	0	0	0	110.4	Y395 I424 L426 I516 L517 E518 R522 R523 G524 L525	Y395-I520 WeakPolarHBondContact OH-CB 3.11Å; Y395-I520 WeakPolarHBondContact OH-CG2 3.17Å; I424-I520 HydrophobicContact CB-CD1 4.31Å; I424-I520 HydrophobicContact CB-CG1 4.38Å; I424-I520 HydrophobicContact CB-CG2 3.87Å; I424-I520 HydrophobicContact CD1-CG2 4.4Å; I424-I520 HydrophobicContact CG2-CD1 3.79Å; I424-I520 HydrophobicContact CG2-CG1 3.8Å; I424-I520 HydrophobicContact CG2-CG2 4.22Å; L426-I520 HydrophobicContact CB-CD1 3.95Å; L426-I520 HydrophobicContact CD1-CD1 3.78Å; L426-I520 HydrophobicContact CG-CD1 4.42Å; I516-I520 HydrophobicContact CG2-CD1 4.5Å; I516-I520 WeakPolarHBondContact O-CG1 3.36Å; I516-I520 PolarHBondContact O-N 3.24Å; L517-I520 PolarHBondContact O-N 3Å; E518-I520 VanDerWaalsContact C-N 3.3Å; E518-I520 PolarHBondContact O-N 2.7Å; I520-R522 VanDerWaalsContact C-N 3.32Å; I520-R522 PolarHBondContact O-N 2.99Å; I520-R523 WeakPolarHBondContact O-CA 3.47Å; I520-R523 WeakPolarHBondContact O-CB 3.37Å; I520-R523 PolarHBondContact O-N 2.82Å; I520-G524 PolarHBondContact O-N 3.39Å; I520-L525 HydrophobicContact CG2-CB 4.22Å
521	A	88.1	Confident	90.2	Very high	14 Å²	14	32.7 Å²	32.7	12%	0.116	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-38.8	-179.4	0	0	0	0	0	112.8	C386 Y395 L517 E518 R523 G524	C386-A521 HydrophobicContact CB-CB 3.96Å; Y395-A521 HydrophobicContact CD2-CB 4Å; Y395-A521 HydrophobicContact CE2-CB 3.47Å; Y395-A521 VanDerWaalsContact CE2-CB 3.47Å; Y395-A521 WeakPolarHBondContact OH-CA 3.47Å; Y395-A521 PolarHBondContact OH-N 3.3Å; L517-A521 WeakPolarHBondContact O-CB 3.33Å; L517-A521 PolarHBondContact O-N 3.44Å; E518-A521 PolarHBondContact O-N 3.19Å; A521-R523 PolarHBondContact O-N 3.38Å; A521-R523 VanDerWaalsContact O-N 3.17Å; A521-G524 PolarHBondContact O-N 3.19Å
522	R	88.9	Confident	90.1	Very high	134 Å²	134	32.9 Å²	32.9	51%	0.506	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-25.3	173.4	-73.8	174.7	-162.3	113.8	14.5	113.5	D385 E518 I520 G524	D385-R522 HydrophobicContact CB-CG 4.07Å; D385-R522 IonicContact OD2-CZ 2.86Å; D385-R522 IonicContact OD2-NE 2.71Å; D385-R522 PolarHBondContact OD2-NE 3.42Å; D385-R522 IonicContact OD2-NH2 2.86Å; D385-R522 PolarHBondContact OD2-NH2 2.99Å; E518-R522 VanDerWaalsContact O-CG 3.31Å; E518-R522 WeakPolarHBondContact O-CG 3.39Å; E518-R522 PolarHBondContact O-N 2.67Å; E518-R522 IonicContact OE2-CZ 3.9Å; E518-R522 IonicContact OE2-NH2 3.21Å; E518-R522 PolarHBondContact OE2-NH2 3.3Å; I520-R522 VanDerWaalsContact C-N 3.32Å; I520-R522 PolarHBondContact O-N 2.99Å; R522-G524 VanDerWaalsContact C-N 3.34Å
523	R	89.3	Confident	90	Very high	171 Å²	171	32.8 Å²	32.8	65%	0.645	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.4	176.1	-60.5	178.5	-176.2	-158.1	0.3	112.8	I520 A521 L525	I520-R523 WeakPolarHBondContact O-CA 3.47Å; I520-R523 WeakPolarHBondContact O-CB 3.37Å; I520-R523 PolarHBondContact O-N 2.82Å; A521-R523 PolarHBondContact O-N 3.38Å; A521-R523 VanDerWaalsContact O-N 3.17Å; R523-L525 HydrophobicContact CB-CD1 4.14Å; R523-L525 HydrophobicContact CB-CG 4.33Å; R523-L525 PolarHBondContact O-N 3.28Å
524	G	85	Confident	89.8	Confident	67 Å²	67	33.7 Å²	33.7	69%	0.691	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	15.1	-178.7	0	0	0	0	0	114.5	I520 A521 R522	I520-G524 PolarHBondContact O-N 3.39Å; A521-G524 PolarHBondContact O-N 3.19Å; R522-G524 VanDerWaalsContact C-N 3.34Å
525	L	88.8	Confident	89.9	Confident	35 Å²	35	33.3 Å²	33.3	18%	0.183	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-98.9	166.9	-178.1	-64.1	169.5	0	0	0	110.6	Y395 N421 I424 I520 R523	Y395-L525 PolarHBondContact OH-O 3.32Å; N421-L525 VanDerWaalsContact C-CD2 3.48Å; N421-L525 WeakPolarHBondContact O-CD2 3.45Å; I424-L525 HydrophobicContact CD1-CB 4.3Å; I424-L525 HydrophobicContact CD1-CD1 3.32Å; I424-L525 HydrophobicContact CD1-CG 4.4Å; I424-L525 HydrophobicContact CG1-CB 4.33Å; I424-L525 HydrophobicContact CG1-CD1 3.69Å; I520-L525 HydrophobicContact CG2-CB 4.22Å; R523-L525 HydrophobicContact CB-CD1 4.14Å; R523-L525 HydrophobicContact CB-CG 4.33Å; R523-L525 PolarHBondContact O-N 3.28Å
526	A	88.1	Confident	90	Very high	12 Å²	12	27.7 Å²	27.7	10%	0.099	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	150	173.8	0	0	0	0	0	111.6	P396 Y422 F423 I424	P396-A526 HydrophobicContact CB-CB 3.98Å; P396-A526 HydrophobicContact CG-CB 3.94Å; P396-A526 WeakPolarHBondContact O-CA 3.25Å; P396-A526 WeakPolarHBondContact O-CB 3.36Å; Y422-A526 PolarHBondContact O-N 2.82Å; F423-A526 CarbonylContact C-O 3.3Å; F423-A526 WeakPolarHBondContact CA-O 3.48Å; F423-A526 HydrophobicContact CD1-CB 3.6Å; F423-A526 HydrophobicContact CE1-CB 3.6Å; I424-A526 PolarHBondContact N-O 3.24Å
527	G	90.9	Very high	89.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.3	179.9	0	0	0	0	0	112.9	P396 I397 L398 I424	P396-G527 PolarHBondContact O-N 3.32Å; I397-G527 CarbonylContact C-O 3.34Å; I397-G527 WeakPolarHBondContact CA-O 3.48Å; L398-G527 PolarHBondContact N-O 2.97Å; I424-G527 WeakPolarHBondContact O-CA 3.28Å
528	I	93.1	Very high	89.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117	168.4	-55.9	-177.8	0	0	0	110	L398 I400 R412 L415 F423 I424 L426	L398-I528 HydrophobicContact CB-CG1 4.26Å; L398-I528 HydrophobicContact CD2-CD1 4.26Å; L398-I528 HydrophobicContact CD2-CG1 4.25Å; L398-I528 CarbonylContact O-C 3.56Å; L398-I528 WeakPolarHBondContact O-CA 3.33Å; I400-I528 HydrophobicContact CD1-CG2 4.06Å; I400-I528 HydrophobicContact CG1-CG2 4.46Å; R412-I528 HydrophobicContact CB-CG2 4.32Å; R412-I528 WeakPolarHBondContact CD-O 3.44Å; R412-I528 HydrophobicContact CG-CB 4.18Å; R412-I528 HydrophobicContact CG-CG2 3.84Å; L415-I528 HydrophobicContact CB-CD1 3.82Å; L415-I528 HydrophobicContact CD1-CD1 4.13Å; F423-I528 HydrophobicContact CB-CD1 3.58Å; F423-I528 HydrophobicContact CB-CG1 3.81Å; F423-I528 HydrophobicContact CD1-CD1 3.83Å; F423-I528 HydrophobicContact CD1-CG1 3.48Å; F423-I528 VanDerWaalsContact CD1-CG1 3.48Å; F423-I528 HydrophobicContact CD2-CD1 4.29Å; F423-I528 HydrophobicContact CE1-CG1 4.26Å; F423-I528 HydrophobicContact CG-CD1 3.65Å; F423-I528 HydrophobicContact CG-CG1 3.81Å; I424-I528 PolarHBondContact O-N 3.35Å; L426-I528 PolarHBondContact N-O 3.17Å
529	V	93	Very high	89.8	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.5	178.4	71.1	0	0	0	0	110.8	I397 L398 A399 I400 L426 L512 L535 L539	I397-V529 HydrophobicContact CG2-CG1 3.84Å; L398-V529 PolarHBondContact O-N 3.19Å; A399-V529 WeakPolarHBondContact CA-O 3.36Å; A399-V529 HydrophobicContact CB-CG1 3.78Å; I400-V529 PolarHBondContact N-O 3.15Å; L426-V529 HydrophobicContact CB-CB 4.1Å; L426-V529 HydrophobicContact CD2-CB 4.12Å; L426-V529 HydrophobicContact CG-CB 4.24Å; L426-V529 HydrophobicContact CG-CG2 4.34Å; L512-V529 HydrophobicContact CD1-CG2 4.48Å; V529-L535 HydrophobicContact CB-CD2 4.31Å; V529-L535 HydrophobicContact CG1-CD2 3.92Å; V529-L535 HydrophobicContact CG2-CD1 4.28Å; V529-L535 HydrophobicContact CG2-CD2 3.59Å; V529-L535 HydrophobicContact CG2-CG 4.5Å; V529-L539 HydrophobicContact CG1-CD1 3.89Å
530	V	92.1	Very high	89.8	Confident	9 Å²	9	29.6 Å²	29.6	6%	0.055	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.6	179.6	169.2	0	0	0	0	108.7	I400 K408 R412	I400-V530 HydrophobicContact CB-CG2 4.21Å; I400-V530 HydrophobicContact CD1-CG2 4.44Å; I400-V530 WeakPolarHBondContact O-CA 3.46Å; K408-V530 HydrophobicContact CB-CB 4.43Å; K408-V530 HydrophobicContact CB-CG1 3.26Å; K408-V530 HydrophobicContact CB-CG2 4.3Å; K408-V530 HydrophobicContact CD-CG1 3.97Å; K408-V530 VanDerWaalsContact CE-CG1 3.49Å; K408-V530 HydrophobicContact CG-CG1 4.24Å; K408-V530 WeakPolarHBondContact O-CG2 3.41Å; R412-V530 HydrophobicContact CB-CG2 3.65Å; R412-V530 HydrophobicContact CG-CG2 4.29Å
531	G	90.5	Very high	89.7	Confident	15 Å²	15	32 Å²	32	16%	0.155	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-165.8	176.3	0	0	0	0	0	114.1	I400 I401 G402 K408	I400-G531 PolarHBondContact O-N 3.04Å; I400-G531 VanDerWaalsContact O-N 3.08Å; I401-G531 WeakPolarHBondContact CA-O 3.17Å; G402-G531 PolarHBondContact N-O 3.33Å; G402-G531 VanDerWaalsContact N-O 3.16Å; K408-G531 WeakPolarHBondContact CE-O 3.33Å
532	E	91.1	Very high	89.5	Confident	5 Å²	5	32.5 Å²	32.5	2%	0.023	17%	0.166	C	C	.	.			trans	-101	-173.8	171.4	-65.7	-157.8	-138.2	0	0	110.5	V404 I505 E534 L535 Y598 R601 Y606	V404-E532 VanDerWaalsContact CG2-OE1 3.25Å; V404-E532 WeakPolarHBondContact CG2-OE1 3.36Å; I505-E532 HydrophobicContact CD1-CB 4.36Å; I505-E532 HydrophobicContact CD1-CG 4.29Å; I505-E532 WeakPolarHBondContact CG2-OE1 3.49Å; E532-E534 WeakPolarHBondContact CB-OE2 3.4Å; E532-E534 PolarHBondContact O-N 2.89Å; E532-L535 WeakPolarHBondContact O-CB 3.27Å; E532-L535 PolarHBondContact O-N 3.02Å; E532-L535 VanDerWaalsContact O-N 3.12Å; E532-Y598 WeakPolarHBondContact OE1-CE1 3.42Å; E532-Y598 PolarHBondContact OE1-OH 3.15Å; E532-R601 IonicContact OE2-NE 2.82Å; E532-Y606 PolarHBondContact OE2-OH 3.35Å; E532-Y606 VanDerWaalsContact OE2-OH 3.1Å
533	L	90.6	Very high	89.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55	-36.1	-178.2	-66.1	165.5	0	0	0	113.3	L361 I401 L535 L536 Y537 L605 Y606 I609 F617	L361-L533 HydrophobicContact CD1-CB 4Å; L361-L533 HydrophobicContact CD1-CD1 3.69Å; I401-L533 HydrophobicContact CG2-CD2 4.11Å; L533-L535 PolarHBondContact O-N 2.99Å; L533-L536 PolarHBondContact O-N 2.87Å; L533-L536 VanDerWaalsContact O-N 3.13Å; L533-Y537 VanDerWaalsContact O-CD2 3.3Å; L533-Y537 WeakPolarHBondContact O-CD2 3.14Å; L533-Y537 PolarHBondContact O-N 3.19Å; L533-Y537 VanDerWaalsContact O-N 3.14Å; L533-L605 HydrophobicContact CD1-CD2 4.43Å; L533-Y606 HydrophobicContact CD1-CD1 3.82Å; L533-Y606 HydrophobicContact CD1-CD2 4.21Å; L533-Y606 HydrophobicContact CD1-CE1 3.75Å; L533-Y606 HydrophobicContact CD1-CE2 4.12Å; L533-Y606 HydrophobicContact CD1-CG 4.07Å; L533-Y606 HydrophobicContact CD2-CD1 3.86Å; L533-Y606 HydrophobicContact CD2-CE1 3.79Å; L533-Y606 HydrophobicContact CG-CD1 3.86Å; L533-Y606 HydrophobicContact CG-CE1 3.45Å; L533-Y606 VanDerWaalsContact CG-CE1 3.45Å; L533-I609 HydrophobicContact CD1-CD1 3.59Å; L533-I609 HydrophobicContact CD2-CD1 4.48Å; L533-I609 HydrophobicContact CD2-CG2 4.3Å; L533-F617 HydrophobicContact CD2-CE1 4.35Å; L533-F617 HydrophobicContact CD2-CZ 3.67Å
534	E	89.2	Confident	89.1	Confident	19 Å²	19	20.5 Å²	20.5	9%	0.089	13%	0.134	C	C	.	.	H	α-helix	trans	-54.7	-41.7	178.3	-70.6	81.6	175.4	0	0	111.9	L361 A503 E532 G538 R601	L361-E534 HydrophobicContact CD2-CG 4.32Å; L361-E534 WeakPolarHBondContact CD2-OE1 3.41Å; A503-E534 HydrophobicContact CB-CB 3.81Å; A503-E534 HydrophobicContact CB-CG 4.39Å; E532-E534 WeakPolarHBondContact CB-OE2 3.4Å; E532-E534 PolarHBondContact O-N 2.89Å; E534-G538 PolarHBondContact O-N 2.97Å; E534-R601 IonicContact OE1-CZ 3.17Å; E534-R601 IonicContact OE1-NH1 3.91Å; E534-R601 PolarHBondContact OE1-NH1 3.17Å; E534-R601 IonicContact OE1-NH2 2.83Å; E534-R601 PolarHBondContact OE1-NH2 3.46Å; E534-R601 IonicContact OE2-NH2 2.8Å; E534-R601 PolarHBondContact OE2-NH2 3.14Å
535	L	89.9	Confident	89.1	Confident	19 Å²	19	24.5 Å²	24.5	10%	0.099	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-44.5	179.1	176.9	69.2	0	0	0	111.1	I401 V529 E532 L533 G538 L539	I401-L535 HydrophobicContact CD1-CD2 4.38Å; V529-L535 HydrophobicContact CB-CD2 4.31Å; V529-L535 HydrophobicContact CG1-CD2 3.92Å; V529-L535 HydrophobicContact CG2-CD1 4.28Å; V529-L535 HydrophobicContact CG2-CD2 3.59Å; V529-L535 HydrophobicContact CG2-CG 4.5Å; E532-L535 WeakPolarHBondContact O-CB 3.27Å; E532-L535 PolarHBondContact O-N 3.02Å; E532-L535 VanDerWaalsContact O-N 3.12Å; L533-L535 PolarHBondContact O-N 2.99Å; L535-G538 PolarHBondContact O-N 2.96Å; L535-L539 HydrophobicContact CD1-CD1 4.14Å; L535-L539 HydrophobicContact CD1-CG 4.25Å; L535-L539 HydrophobicContact CG-CD1 4.02Å; L535-L539 HydrophobicContact CG-CG 4.48Å; L535-L539 WeakPolarHBondContact O-CG 3.39Å; L535-L539 PolarHBondContact O-N 3.03Å
536	L	91	Very high	89.2	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.8	-47.4	-178.5	179.9	58.3	0	0	0	111.4	I401 L533 L539 R540 P546 L616 F617	I401-L536 HydrophobicContact CD1-CB 3.9Å; I401-L536 HydrophobicContact CG1-CB 4.08Å; I401-L536 HydrophobicContact CG1-CD2 4.33Å; L533-L536 PolarHBondContact O-N 2.87Å; L533-L536 VanDerWaalsContact O-N 3.13Å; L536-L539 PolarHBondContact O-N 3.44Å; L536-R540 HydrophobicContact CD1-CG 4.5Å; L536-R540 PolarHBondContact O-N 2.61Å; L536-R540 VanDerWaalsContact O-N 3.1Å; L536-P546 HydrophobicContact CD1-CG 3.86Å; L536-L616 HydrophobicContact CD2-CD1 3.68Å; L536-L616 HydrophobicContact CD2-CD2 4.42Å; L536-L616 HydrophobicContact CD2-CG 3.86Å; L536-L616 HydrophobicContact CG-CD1 4.24Å; L536-F617 HydrophobicContact CD2-CD1 3.89Å; L536-F617 HydrophobicContact CD2-CE1 3.38Å; L536-F617 HydrophobicContact CD2-CZ 4.04Å
537	Y	89	Confident	89.3	Confident	21 Å²	21	28.4 Å²	28.4	8%	0.082	14%	0.143	C	C	.	.	H	α-helix	trans	-61.4	-45.5	177.4	-77.8	-67	0	0	0	111.4	L361 E362 A365 L533 L539 R540 L541	L361-Y537 HydrophobicContact CB-CE2 4.31Å; E362-Y537 HydrophobicContact CB-CD1 4.2Å; E362-Y537 HydrophobicContact CB-CE1 4.1Å; E362-Y537 HydrophobicContact CG-CD1 3.96Å; E362-Y537 HydrophobicContact CG-CE1 4.07Å; A365-Y537 HydrophobicContact CB-CG 4.49Å; L533-Y537 VanDerWaalsContact O-CD2 3.3Å; L533-Y537 WeakPolarHBondContact O-CD2 3.14Å; L533-Y537 PolarHBondContact O-N 3.19Å; L533-Y537 VanDerWaalsContact O-N 3.14Å; Y537-L539 PolarHBondContact O-N 2.91Å; Y537-R540 PolarHBondContact O-N 3.15Å; Y537-L541 WeakPolarHBondContact O-CB 3.39Å; Y537-L541 VanDerWaalsContact O-CG 3.24Å; Y537-L541 WeakPolarHBondContact O-CG 3.42Å; Y537-L541 PolarHBondContact O-N 2.98Å
538	G	88.1	Confident	89.4	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.1	-43.6	178.6	0	0	0	0	0	114.1	Q501 E534 L535 R540 L541 A542	Q501-G538 VanDerWaalsContact CD-CA 3.46Å; E534-G538 PolarHBondContact O-N 2.97Å; L535-G538 PolarHBondContact O-N 2.96Å; G538-R540 PolarHBondContact O-N 3.19Å; G538-L541 PolarHBondContact O-N 2.82Å; G538-A542 WeakPolarHBondContact O-CB 3.4Å; G538-A542 PolarHBondContact O-N 2.85Å
539	L	90	Very high	89.3	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-39.1	176.8	-71	173.6	0	0	0	112.6	L512 V529 L535 L536 Y537 A542 G543 L544 P546	L512-L539 HydrophobicContact CD2-CD2 3.59Å; V529-L539 HydrophobicContact CG1-CD1 3.89Å; L535-L539 HydrophobicContact CD1-CD1 4.14Å; L535-L539 HydrophobicContact CD1-CG 4.25Å; L535-L539 HydrophobicContact CG-CD1 4.02Å; L535-L539 HydrophobicContact CG-CG 4.48Å; L535-L539 WeakPolarHBondContact O-CG 3.39Å; L535-L539 PolarHBondContact O-N 3.03Å; L536-L539 PolarHBondContact O-N 3.44Å; Y537-L539 PolarHBondContact O-N 2.91Å; L539-A542 PolarHBondContact O-N 3.49Å; L539-G543 PolarHBondContact O-N 2.85Å; L539-L544 HydrophobicContact CD2-CD1 3.73Å; L539-L544 PolarHBondContact O-N 3.47Å; L539-P546 HydrophobicContact CB-CG 3.79Å; L539-P546 HydrophobicContact CD1-CB 4.3Å; L539-P546 HydrophobicContact CD1-CG 3.9Å
540	R	89	Confident	89.3	Confident	95 Å²	95	28.4 Å²	28.4	36%	0.358	14%	0.143	S	C	.	.	H	α-helix	trans	-67.2	-41.7	176.4	-76	-173	168.9	-152.8	-3	111.8	L536 Y537 G538 A542 G543 G615 L616	L536-R540 HydrophobicContact CD1-CG 4.5Å; L536-R540 PolarHBondContact O-N 2.61Å; L536-R540 VanDerWaalsContact O-N 3.1Å; Y537-R540 PolarHBondContact O-N 3.15Å; G538-R540 PolarHBondContact O-N 3.19Å; R540-A542 VanDerWaalsContact C-N 3.3Å; R540-A542 PolarHBondContact O-N 2.85Å; R540-G543 PolarHBondContact O-N 2.89Å; R540-G615 PolarHBondContact NH2-O 2.73Å; R540-L616 VanDerWaalsContact CZ-CD1 3.43Å; R540-L616 PolarHBondContact NH2-O 2.91Å
541	L	87.1	Confident	89.3	Confident	56 Å²	56	28 Å²	28	29%	0.293	14%	0.14	S	C	.	.	H	α-helix	trans	-63.8	-36.1	175.9	-70.1	166.1	0	0	0	112.1	A365 R366 H369 Y537 G538 G543	A365-L541 HydrophobicContact CB-CD1 3.97Å; R366-L541 HydrophobicContact CB-CD1 4.22Å; R366-L541 HydrophobicContact CG-CD1 3.61Å; R366-L541 HydrophobicContact CG-CD2 3.6Å; R366-L541 HydrophobicContact CG-CG 4.26Å; H369-L541 HydrophobicContact CB-CB 4.33Å; H369-L541 HydrophobicContact CB-CD1 4.27Å; H369-L541 PolarHBondContact NE2-O 2.88Å; Y537-L541 WeakPolarHBondContact O-CB 3.39Å; Y537-L541 VanDerWaalsContact O-CG 3.24Å; Y537-L541 WeakPolarHBondContact O-CG 3.42Å; Y537-L541 PolarHBondContact O-N 2.98Å; G538-L541 PolarHBondContact O-N 2.82Å; L541-G543 PolarHBondContact O-N 2.9Å
542	A	85.4	Confident	89.2	Confident	24 Å²	24	28.4 Å²	28.4	20%	0.198	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-0.8	172.4	0	0	0	0	0	114.3	I500 G538 L539 R540 L544	I500-A542 HydrophobicContact CG2-CB 3.58Å; G538-A542 WeakPolarHBondContact O-CB 3.4Å; G538-A542 PolarHBondContact O-N 2.85Å; L539-A542 PolarHBondContact O-N 3.49Å; R540-A542 VanDerWaalsContact C-N 3.3Å; R540-A542 PolarHBondContact O-N 2.85Å; A542-L544 VanDerWaalsContact C-N 3.34Å; A542-L544 HydrophobicContact CB-CD1 4.43Å; A542-L544 HydrophobicContact CB-CG 4.47Å; A542-L544 PolarHBondContact O-N 3.23Å
543	G	83.4	Confident	89.1	Confident	42 Å²	42	28.8 Å²	28.8	43%	0.433	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	5.2	177.9	0	0	0	0	0	115.4	L539 R540 L541 K545	L539-G543 PolarHBondContact O-N 2.85Å; R540-G543 PolarHBondContact O-N 2.89Å; L541-G543 PolarHBondContact O-N 2.9Å; G543-K545 VanDerWaalsContact C-N 3.31Å; G543-K545 PolarHBondContact O-N 3.25Å
544	L	86	Confident	88.8	Confident	12 Å²	12	34.5 Å²	34.5	6%	0.063	17%	0.172	C	C	.	.			trans	-79.7	-9	-174.8	-64.8	170.9	0	0	0	114.2	I397 I500 W514 L517 L539 A542 P546	I397-L544 HydrophobicContact CD1-CB 4.04Å; I397-L544 HydrophobicContact CD1-CD1 3.88Å; I397-L544 HydrophobicContact CD1-CD2 4.43Å; I397-L544 HydrophobicContact CD1-CG 4.34Å; I500-L544 HydrophobicContact CD1-CD1 4.08Å; I500-L544 HydrophobicContact CG2-CD1 3.97Å; W514-L544 HydrophobicContact CH2-CD1 4.33Å; W514-L544 HydrophobicContact CH2-CD2 4.32Å; W514-L544 HydrophobicContact CZ3-CD2 4.38Å; L517-L544 HydrophobicContact CD2-CD1 3.82Å; L517-L544 HydrophobicContact CD2-CD2 4.01Å; L539-L544 HydrophobicContact CD2-CD1 3.73Å; L539-L544 PolarHBondContact O-N 3.47Å; A542-L544 VanDerWaalsContact C-N 3.34Å; A542-L544 HydrophobicContact CB-CD1 4.43Å; A542-L544 HydrophobicContact CB-CG 4.47Å; A542-L544 PolarHBondContact O-N 3.23Å; L544-P546 VanDerWaalsContact O-N 3.1Å
545	K	84.4	Confident	88.6	Confident	151 Å²	151	37.5 Å²	37.5	66%	0.657	19%	0.189	S	C	*	.			trans	29.3	62.4	178.4	-57	179.1	-179.1	171.4	0	113.7	P394 G543	P394-K545 HydrophobicContact CG-CB 3.93Å; P394-K545 HydrophobicContact CG-CD 4.37Å; P394-K545 HydrophobicContact CG-CG 4.42Å; G543-K545 VanDerWaalsContact C-N 3.31Å; G543-K545 PolarHBondContact O-N 3.25Å
546	P	90.6	Very high	88.3	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.032	20%	0.198	C	C	.	.			trans	-64.1	149.4	-177.5	30	-37.6	0	0	0	110.8	I397 A399 L536 L539 L544	I397-P546 HydrophobicContact CB-CB 3.95Å; I397-P546 HydrophobicContact CG2-CB 3.94Å; I397-P546 CarbonylContact O-C 3.6Å; I397-P546 VanDerWaalsContact O-CA 3.31Å; I397-P546 WeakPolarHBondContact O-CA 3.25Å; I397-P546 WeakPolarHBondContact O-CB 3.45Å; A399-P546 HydrophobicContact CB-CB 3.99Å; A399-P546 HydrophobicContact CB-CG 4.28Å; L536-P546 HydrophobicContact CD1-CG 3.86Å; L539-P546 HydrophobicContact CB-CG 3.79Å; L539-P546 HydrophobicContact CD1-CB 4.3Å; L539-P546 HydrophobicContact CD1-CG 3.9Å; L544-P546 VanDerWaalsContact O-N 3.1Å
547	R	90.3	Very high	88	Confident	123 Å²	123	44.1 Å²	44.1	46%	0.464	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.2	162.4	-68.2	-169.9	-174.8	-171.7	5.2	107.9	I397 L398 A399 D618	I397-R547 PolarHBondContact O-N 2.99Å; L398-R547 CarbonylContact C-O 3.43Å; L398-R547 WeakPolarHBondContact CA-O 3.26Å; L398-R547 HydrophobicContact CD1-CB 4.12Å; A399-R547 PolarHBondContact N-O 3.13Å; R547-D618 WeakPolarHBondContact CA-OD2 3.27Å
548	S	92.9	Very high	87.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.5	-170.2	67.4	0	0	0	0	112.7	A399 L616 D618	A399-S548 VanDerWaalsContact O-CA 3.3Å; A399-S548 WeakPolarHBondContact O-CA 3.48Å; S548-L616 PolarHBondContact OG-O 3.09Å; S548-D618 PolarHBondContact N-OD2 2.94Å; S548-D618 PolarHBondContact O-N 2.93Å
549	I	92.5	Very high	87.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.9	-179.1	-58.7	172.3	0	0	0	107.4	L398 A399 I401 A619 L621 L633 L636	L398-I549 HydrophobicContact CD1-CD1 3.8Å; L398-I549 HydrophobicContact CD1-CG1 4.28Å; A399-I549 PolarHBondContact O-N 3.05Å; I401-I549 PolarHBondContact N-O 3.26Å; I549-A619 HydrophobicContact CG2-CB 4.48Å; I549-L621 HydrophobicContact CG2-CD1 3.79Å; I549-L621 HydrophobicContact CG2-CG 4Å; I549-L633 HydrophobicContact CD1-CD1 3.3Å; I549-L633 HydrophobicContact CG1-CD1 4.49Å; I549-L633 HydrophobicContact CG2-CD1 4.16Å; I549-L636 HydrophobicContact CD1-CD2 3.44Å; I549-L636 VanDerWaalsContact CD1-CD2 3.44Å; I549-L636 HydrophobicContact CG1-CD2 4.1Å
550	L	92.3	Very high	87.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.2	179.6	177.6	59.9	0	0	0	110.2	I401 L552 Y606 H610 F617 A619 V620 L621	I401-L550 HydrophobicContact CG2-CD1 4.34Å; I401-L550 CarbonylContact O-C 3.57Å; I401-L550 WeakPolarHBondContact O-CA 3.37Å; L550-L552 HydrophobicContact CD1-CD1 4.49Å; L550-L552 HydrophobicContact CD1-CD2 4.16Å; L550-L552 HydrophobicContact CD1-CG 4.05Å; L550-L552 HydrophobicContact CD2-CD1 3.82Å; L550-L552 HydrophobicContact CD2-CG 4.22Å; L550-L552 HydrophobicContact CG-CD1 4.11Å; L550-L552 HydrophobicContact CG-CG 3.94Å; L550-Y606 HydrophobicContact CD1-CD1 3.63Å; L550-Y606 HydrophobicContact CD1-CE1 3.99Å; L550-H610 HydrophobicContact CD2-CB 4.39Å; L550-F617 HydrophobicContact CB-CB 4.18Å; L550-F617 HydrophobicContact CB-CD1 3.68Å; L550-F617 HydrophobicContact CB-CD2 4.29Å; L550-F617 HydrophobicContact CB-CE1 4.07Å; L550-F617 HydrophobicContact CB-CG 3.79Å; L550-F617 HydrophobicContact CD1-CE1 4.24Å; L550-F617 HydrophobicContact CD1-CZ 4.31Å; L550-F617 HydrophobicContact CD2-CD2 3.87Å; L550-F617 HydrophobicContact CD2-CE1 4.46Å; L550-F617 HydrophobicContact CD2-CE2 3.82Å; L550-F617 HydrophobicContact CD2-CG 4.23Å; L550-F617 HydrophobicContact CD2-CZ 4.13Å; L550-F617 HydrophobicContact CG-CE1 4.49Å; L550-A619 PolarHBondContact N-O 3.23Å; L550-V620 HydrophobicContact CB-CG1 4.44Å; L550-V620 HydrophobicContact CB-CG2 4.22Å; L550-V620 HydrophobicContact CD2-CG1 4.28Å; L550-V620 HydrophobicContact CD2-CG2 4.21Å; L550-V620 HydrophobicContact CG-CG1 4.31Å; L550-V620 CarbonylContact O-C 3.54Å; L550-V620 VanDerWaalsContact O-CA 3.27Å; L550-V620 WeakPolarHBondContact O-CA 3.45Å; L550-L621 PolarHBondContact O-N 3.45Å
551	C	91.7	Very high	87	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.8	174.5	-56.1	0	0	0	0	108.9	I401 G402 I406 L621 L629	I401-C551 PolarHBondContact O-N 3.23Å; G402-C551 WeakPolarHBondContact CA-O 3.46Å; I406-C551 VanDerWaalsContact CD1-O 3.3Å; I406-C551 WeakPolarHBondContact CD1-O 3.42Å; I406-C551 HydrophobicContact CG2-CB 3.82Å; C551-L621 WeakPolarHBondContact CA-O 3.46Å; C551-L629 HydrophobicContact CB-CD1 4.05Å
552	L	89.9	Confident	86.8	Confident	25 Å²	25	51.7 Å²	51.7	13%	0.131	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.1	179.1	-69.7	175.1	0	0	0	111.5	L550 T602 Y606 L621 S622 S623	L550-L552 HydrophobicContact CD1-CD1 4.49Å; L550-L552 HydrophobicContact CD1-CD2 4.16Å; L550-L552 HydrophobicContact CD1-CG 4.05Å; L550-L552 HydrophobicContact CD2-CD1 3.82Å; L550-L552 HydrophobicContact CD2-CG 4.22Å; L550-L552 HydrophobicContact CG-CD1 4.11Å; L550-L552 HydrophobicContact CG-CG 3.94Å; L552-T602 HydrophobicContact CD2-CG2 4.42Å; L552-Y606 HydrophobicContact CD2-CD1 3.91Å; L552-Y606 HydrophobicContact CD2-CD2 4.41Å; L552-Y606 HydrophobicContact CD2-CG 3.78Å; L552-L621 PolarHBondContact N-O 2.92Å; L552-S622 CarbonylContact O-C 3.28Å; L552-S622 WeakPolarHBondContact O-CA 3.49Å; L552-S623 PolarHBondContact O-N 3.1Å; L552-S623 PolarHBondContact O-OG 3.39Å; L552-S623 VanDerWaalsContact O-OG 3.06Å
553	P	88.1	Confident	86.7	Confident	13 Å²	13	50.6 Å²	50.6	8%	0.084	25%	0.246	C	C	.	.			trans	-80.5	136.8	173.4	31.6	-27.2	0	0	0	109.4	Y559 T602 S623 D624	P553-Y559 HydrophobicContact CB-CD2 4.13Å; P553-Y559 HydrophobicContact CB-CG 3.95Å; P553-Y559 HydrophobicContact CG-CD1 3.73Å; P553-Y559 HydrophobicContact CG-CD2 3.78Å; P553-Y559 HydrophobicContact CG-CE1 4.21Å; P553-Y559 HydrophobicContact CG-CE2 4.28Å; P553-Y559 HydrophobicContact CG-CG 3.5Å; P553-T602 HydrophobicContact CG-CG2 3.71Å; P553-S623 WeakPolarHBondContact CA-OG 3.4Å; P553-D624 WeakPolarHBondContact CA-OD1 3.42Å
554	N	83.7	Confident	86.7	Confident	119 Å²	119	52.8 Å²	52.8	64%	0.636	24%	0.241	S	C	*	.	S	Bend	trans	-84.5	-31.7	171.5	-49.4	-41.1	0	0	0	110.4	L556 S622 D624	N554-L556 PolarHBondContact O-N 3.49Å; N554-S622 WeakPolarHBondContact ND2-CB 3.45Å; N554-S622 PolarHBondContact ND2-OG 2.79Å; N554-D624 WeakPolarHBondContact CA-OD2 3.12Å; N554-D624 WeakPolarHBondContact CB-OD2 3.03Å; N554-D624 PolarHBondContact N-OD1 2.86Å; N554-D624 PolarHBondContact N-OD2 3Å
555	N	85.4	Confident	86.3	Confident	82 Å²	82	56 Å²	56	44%	0.439	26%	0.261	S	S	.	.			trans	-96.3	93.4	178.2	-168.2	-30	0	0	0	112	H557 H558 Y559 D624	N555-H557 PolarHBondContact O-N 3.27Å; N555-H557 WeakPolarHBondContact OD1-CB 3.36Å; N555-H557 PolarHBondContact OD1-N 2.72Å; N555-H557 VanDerWaalsContact OD1-N 3.08Å; N555-H558 HydrophobicContact CB-CB 4.04Å; N555-H558 PolarHBondContact O-N 3.37Å; N555-H558 PolarHBondContact OD1-N 3.3Å; N555-Y559 WeakPolarHBondContact O-CB 3.38Å; N555-Y559 PolarHBondContact O-N 3.24Å; N555-D624 PolarHBondContact N-OD1 2.95Å; N555-D624 PolarHBondContact N-OD2 3.13Å
556	L	83.7	Confident	86	Confident	54 Å²	54	49.5 Å²	49.5	28%	0.283	24%	0.235	S	C	.	.	H	α-helix	trans	-58.3	-31.8	178.2	-67.7	176.9	0	0	0	113.6	N554 Y559 E560 T602 D603	N554-L556 PolarHBondContact O-N 3.49Å; L556-Y559 PolarHBondContact O-N 3.33Å; L556-E560 WeakPolarHBondContact O-CB 3.19Å; L556-E560 PolarHBondContact O-N 2.73Å; L556-T602 HydrophobicContact CD2-CG2 4.17Å; L556-D603 HydrophobicContact CD1-CB 3.9Å; L556-D603 WeakPolarHBondContact CD1-OD1 3.38Å; L556-D603 HydrophobicContact CD2-CB 4.45Å
557	H	84.5	Confident	85.3	Confident	104 Å²	104	49.3 Å²	49.3	48%	0.481	23%	0.234	S	C	.	.	H	α-helix	trans	-73.2	-39.3	-179.7	-170.4	67.1	0	0	0	112	N555 R561	N555-H557 PolarHBondContact O-N 3.27Å; N555-H557 WeakPolarHBondContact OD1-CB 3.36Å; N555-H557 PolarHBondContact OD1-N 2.72Å; N555-H557 VanDerWaalsContact OD1-N 3.08Å; H557-R561 PolarHBondContact CD2-NH2 3.23Å; H557-R561 VanDerWaalsContact CD2-NH2 3.29Å; H557-R561 PolarHBondContact NE2-NH2 2.92Å; H557-R561 PolarHBondContact O-N 3.29Å
558	H	83.4	Confident	84.4	Confident	90 Å²	90	45.6 Å²	45.6	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-45.9	170.9	-178.4	75.4	0	0	0	110.5	N555 E560 R561 V562	N555-H558 HydrophobicContact CB-CB 4.04Å; N555-H558 PolarHBondContact O-N 3.37Å; N555-H558 PolarHBondContact OD1-N 3.3Å; H558-E560 VanDerWaalsContact C-N 3.34Å; H558-E560 PolarHBondContact O-N 2.89Å; H558-R561 WeakPolarHBondContact O-CB 3.27Å; H558-R561 PolarHBondContact O-N 2.92Å; H558-R561 VanDerWaalsContact O-N 3.11Å; H558-V562 WeakPolarHBondContact O-CG2 3.48Å; H558-V562 PolarHBondContact O-N 2.8Å; H558-V562 VanDerWaalsContact O-N 3.13Å
559	Y	84.3	Confident	83.4	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.02	24%	0.235	C	C	.	.	H	α-helix	trans	-59.5	-40.7	178.5	178.2	-120.4	0	0	0	113	P403 V404 I406 P553 N555 L556 R561 V562 I563 T602	P403-Y559 WeakPolarHBondContact CB-OH 3.35Å; P403-Y559 HydrophobicContact CG-CE1 4.39Å; P403-Y559 HydrophobicContact CG-CE2 4.25Å; P403-Y559 WeakPolarHBondContact CG-OH 3.15Å; V404-Y559 WeakPolarHBondContact O-CE2 3.33Å; V404-Y559 PolarHBondContact O-OH 2.81Å; I406-Y559 HydrophobicContact CG1-CE2 4.28Å; P553-Y559 HydrophobicContact CB-CD2 4.13Å; P553-Y559 HydrophobicContact CB-CG 3.95Å; P553-Y559 HydrophobicContact CG-CD1 3.73Å; P553-Y559 HydrophobicContact CG-CD2 3.78Å; P553-Y559 HydrophobicContact CG-CE1 4.21Å; P553-Y559 HydrophobicContact CG-CE2 4.28Å; P553-Y559 HydrophobicContact CG-CG 3.5Å; N555-Y559 WeakPolarHBondContact O-CB 3.38Å; N555-Y559 PolarHBondContact O-N 3.24Å; L556-Y559 PolarHBondContact O-N 3.33Å; Y559-R561 VanDerWaalsContact C-N 3.31Å; Y559-R561 PolarHBondContact O-N 3.01Å; Y559-V562 PolarHBondContact O-N 3.5Å; Y559-V562 VanDerWaalsContact O-N 3.13Å; Y559-I563 HydrophobicContact CD1-CD1 3.49Å; Y559-I563 VanDerWaalsContact CD1-CD1 3.49Å; Y559-I563 HydrophobicContact CD1-CG1 4.25Å; Y559-I563 HydrophobicContact CD2-CD1 4.2Å; Y559-I563 HydrophobicContact CD2-CG1 4.05Å; Y559-I563 HydrophobicContact CE1-CD1 3.02Å; Y559-I563 HydrophobicContact CE1-CG1 3.81Å; Y559-I563 HydrophobicContact CE2-CD1 3.8Å; Y559-I563 HydrophobicContact CE2-CG1 3.57Å; Y559-I563 HydrophobicContact CG-CD1 4.03Å; Y559-I563 HydrophobicContact CG-CG1 4.34Å; Y559-I563 WeakPolarHBondContact O-CG1 3.37Å; Y559-I563 PolarHBondContact O-N 3.11Å; Y559-I563 WeakPolarHBondContact OH-CD1 3.26Å; Y559-T602 HydrophobicContact CD1-CG2 4.19Å; Y559-T602 HydrophobicContact CE1-CG2 3.78Å; Y559-T602 VanDerWaalsContact CE1-OG1 3.28Å; Y559-T602 WeakPolarHBondContact CE1-OG1 3.5Å
560	E	85.4	Confident	82.4	Confident	48 Å²	48	47.8 Å²	47.8	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-55.4	-45.1	173.7	173.8	177.4	-177.2	0	0	111.8	L556 H558 V562 I563 R564 I595 I599	L556-E560 WeakPolarHBondContact O-CB 3.19Å; L556-E560 PolarHBondContact O-N 2.73Å; H558-E560 VanDerWaalsContact C-N 3.34Å; H558-E560 PolarHBondContact O-N 2.89Å; E560-V562 VanDerWaalsContact C-N 3.34Å; E560-V562 PolarHBondContact O-N 2.89Å; E560-I563 PolarHBondContact O-N 2.88Å; E560-R564 HydrophobicContact CG-CG 4.47Å; E560-R564 WeakPolarHBondContact O-CB 3.15Å; E560-R564 VanDerWaalsContact O-CG 3.27Å; E560-R564 WeakPolarHBondContact O-CG 3.49Å; E560-R564 PolarHBondContact O-N 3.21Å; E560-R564 IonicContact OE1-CZ 3.3Å; E560-R564 VanDerWaalsContact OE1-CZ 3.27Å; E560-R564 IonicContact OE1-NE 3.52Å; E560-R564 PolarHBondContact OE1-NE 2.79Å; E560-R564 IonicContact OE1-NH2 3.58Å; E560-R564 PolarHBondContact OE1-NH2 2.98Å; E560-I595 HydrophobicContact CG-CG2 4.44Å; E560-I599 HydrophobicContact CB-CD1 3.94Å; E560-I599 HydrophobicContact CG-CD1 3.78Å
561	R	82.6	Confident	81.2	Confident	148 Å²	148	50.1 Å²	50.1	56%	0.558	25%	0.248	S	C	*	.	H	α-helix	trans	-62.8	-42	177.4	-64.1	178.1	-171.9	156.7	-1.8	111.3	H557 H558 Y559 R564 V565	H557-R561 PolarHBondContact CD2-NH2 3.23Å; H557-R561 VanDerWaalsContact CD2-NH2 3.29Å; H557-R561 PolarHBondContact NE2-NH2 2.92Å; H557-R561 PolarHBondContact O-N 3.29Å; H558-R561 WeakPolarHBondContact O-CB 3.27Å; H558-R561 PolarHBondContact O-N 2.92Å; H558-R561 VanDerWaalsContact O-N 3.11Å; Y559-R561 VanDerWaalsContact C-N 3.31Å; Y559-R561 PolarHBondContact O-N 3.01Å; R561-R564 PolarHBondContact O-N 3.02Å; R561-V565 WeakPolarHBondContact O-CG2 3.49Å; R561-V565 PolarHBondContact O-N 2.78Å; R561-V565 VanDerWaalsContact O-N 3.15Å
562	V	82.6	Confident	79.7	Confident	41 Å²	41	51.4 Å²	51.4	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-42.7	178.7	175.9	0	0	0	0	111.7	G405 H558 Y559 E560 S566	G405-V562 WeakPolarHBondContact O-CG1 3.34Å; H558-V562 WeakPolarHBondContact O-CG2 3.48Å; H558-V562 PolarHBondContact O-N 2.8Å; H558-V562 VanDerWaalsContact O-N 3.13Å; Y559-V562 PolarHBondContact O-N 3.5Å; Y559-V562 VanDerWaalsContact O-N 3.13Å; E560-V562 VanDerWaalsContact C-N 3.34Å; E560-V562 PolarHBondContact O-N 2.89Å; V562-S566 WeakPolarHBondContact O-CB 3.09Å; V562-S566 PolarHBondContact O-N 3.31Å; V562-S566 PolarHBondContact O-OG 2.7Å
563	I	83.7	Confident	78.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-48.2	175.2	-66.7	162.7	0	0	0	110.2	Y559 E560 V565 S566 I567 I595 I599	Y559-I563 HydrophobicContact CD1-CD1 3.49Å; Y559-I563 VanDerWaalsContact CD1-CD1 3.49Å; Y559-I563 HydrophobicContact CD1-CG1 4.25Å; Y559-I563 HydrophobicContact CD2-CD1 4.2Å; Y559-I563 HydrophobicContact CD2-CG1 4.05Å; Y559-I563 HydrophobicContact CE1-CD1 3.02Å; Y559-I563 HydrophobicContact CE1-CG1 3.81Å; Y559-I563 HydrophobicContact CE2-CD1 3.8Å; Y559-I563 HydrophobicContact CE2-CG1 3.57Å; Y559-I563 HydrophobicContact CG-CD1 4.03Å; Y559-I563 HydrophobicContact CG-CG1 4.34Å; Y559-I563 WeakPolarHBondContact O-CG1 3.37Å; Y559-I563 PolarHBondContact O-N 3.11Å; Y559-I563 WeakPolarHBondContact OH-CD1 3.26Å; E560-I563 PolarHBondContact O-N 2.88Å; I563-V565 VanDerWaalsContact C-N 3.31Å; I563-V565 PolarHBondContact O-N 2.99Å; I563-S566 CarbonylContact O-C 3.32Å; I563-S566 WeakPolarHBondContact O-CA 3.23Å; I563-S566 WeakPolarHBondContact O-CB 3.24Å; I563-S566 PolarHBondContact O-N 2.85Å; I563-I567 HydrophobicContact CG2-CD1 3.34Å; I563-I567 HydrophobicContact CG2-CG1 3.78Å; I563-I567 WeakPolarHBondContact O-CG1 3.47Å; I563-I567 PolarHBondContact O-N 3.28Å; I563-I595 HydrophobicContact CG2-CG1 4.34Å; I563-I599 HydrophobicContact CD1-CG1 4.34Å
564	R	82	Confident	77.2	Confident	88 Å²	88	52.7 Å²	52.7	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-52.3	-51.2	179.9	-80.2	175.7	-177.6	-78.6	0.3	110.7	E560 R561 S566 I567 S568 I595	E560-R564 HydrophobicContact CG-CG 4.47Å; E560-R564 WeakPolarHBondContact O-CB 3.15Å; E560-R564 VanDerWaalsContact O-CG 3.27Å; E560-R564 WeakPolarHBondContact O-CG 3.49Å; E560-R564 PolarHBondContact O-N 3.21Å; E560-R564 IonicContact OE1-CZ 3.3Å; E560-R564 VanDerWaalsContact OE1-CZ 3.27Å; E560-R564 IonicContact OE1-NE 3.52Å; E560-R564 PolarHBondContact OE1-NE 2.79Å; E560-R564 IonicContact OE1-NH2 3.58Å; E560-R564 PolarHBondContact OE1-NH2 2.98Å; R561-R564 PolarHBondContact O-N 3.02Å; R564-S566 PolarHBondContact O-N 3.24Å; R564-I567 PolarHBondContact O-N 3.16Å; R564-S568 WeakPolarHBondContact O-CB 3.45Å; R564-S568 PolarHBondContact O-N 2.99Å; R564-S568 PolarHBondContact O-OG 2.82Å; R564-I595 HydrophobicContact CG-CD1 3.62Å; R564-I595 HydrophobicContact CG-CG1 4.23Å; R564-I595 HydrophobicContact CG-CG2 4.4Å
565	V	78.8	Confident	76	Confident	79 Å²	79	50 Å²	50	48%	0.479	25%	0.253	S	S	.	.	H	α-helix	trans	-59.7	-45.7	175.2	175.2	0	0	0	0	111.7	R561 I563 I567 S568 Q569	R561-V565 WeakPolarHBondContact O-CG2 3.49Å; R561-V565 PolarHBondContact O-N 2.78Å; R561-V565 VanDerWaalsContact O-N 3.15Å; I563-V565 VanDerWaalsContact C-N 3.31Å; I563-V565 PolarHBondContact O-N 2.99Å; V565-I567 PolarHBondContact O-N 2.81Å; V565-S568 PolarHBondContact O-N 3.35Å; V565-Q569 VanDerWaalsContact O-CG 3.28Å; V565-Q569 WeakPolarHBondContact O-CG 3.37Å; V565-Q569 PolarHBondContact O-N 2.82Å
566	S	77.7	Confident	74.4	Confident	16 Å²	16	49.6 Å²	49.6	11%	0.112	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-37.6	-178.4	-66.6	0	0	0	0	113.7	K435 V562 I563 R564 I570	K435-S566 PolarHBondContact NZ-O 3.19Å; V562-S566 WeakPolarHBondContact O-CB 3.09Å; V562-S566 PolarHBondContact O-N 3.31Å; V562-S566 PolarHBondContact O-OG 2.7Å; I563-S566 CarbonylContact O-C 3.32Å; I563-S566 WeakPolarHBondContact O-CA 3.23Å; I563-S566 WeakPolarHBondContact O-CB 3.24Å; I563-S566 PolarHBondContact O-N 2.85Å; R564-S566 PolarHBondContact O-N 3.24Å; S566-I570 WeakPolarHBondContact O-CD1 3.45Å; S566-I570 VanDerWaalsContact O-CG1 3.28Å; S566-I570 WeakPolarHBondContact O-CG1 3.35Å; S566-I570 PolarHBondContact O-N 3.38Å
567	I	76.8	Confident	72.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-76.8	-43.9	178.9	-67	-176.8	0	0	0	110.3	M506 I563 R564 V565 Q569 I570 H571 T591 W594 I595 Y598	M506-I567 HydrophobicContact CE-CB 4.25Å; M506-I567 HydrophobicContact CE-CD1 3.52Å; M506-I567 HydrophobicContact CE-CG1 3.53Å; M506-I567 HydrophobicContact CE-CG2 3.87Å; M506-I567 HydrophobicContact SD-CD1 4.48Å; M506-I567 HydrophobicContact SD-CG1 4.19Å; I563-I567 HydrophobicContact CG2-CD1 3.34Å; I563-I567 HydrophobicContact CG2-CG1 3.78Å; I563-I567 WeakPolarHBondContact O-CG1 3.47Å; I563-I567 PolarHBondContact O-N 3.28Å; R564-I567 PolarHBondContact O-N 3.16Å; V565-I567 PolarHBondContact O-N 2.81Å; I567-Q569 VanDerWaalsContact C-N 3.27Å; I567-Q569 PolarHBondContact O-N 2.99Å; I567-I570 WeakPolarHBondContact O-CB 3.41Å; I567-I570 PolarHBondContact O-N 2.92Å; I567-H571 WeakPolarHBondContact CG2-CD2 3.45Å; I567-H571 PolarHBondContact O-N 3.4Å; I567-T591 HydrophobicContact CG2-CG2 3.68Å; I567-W594 HydrophobicContact CD1-CB 4.32Å; I567-I595 HydrophobicContact CD1-CG1 3.83Å; I567-Y598 HydrophobicContact CD1-CD2 4.25Å
568	S	71.2	Confident	70.4	Confident	46 Å²	46	49.5 Å²	49.5	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-56.6	-42.9	174.4	-62.9	0	0	0	0	111.5	R564 V565 I570 H571 C572	R564-S568 WeakPolarHBondContact O-CB 3.45Å; R564-S568 PolarHBondContact O-N 2.99Å; R564-S568 PolarHBondContact O-OG 2.82Å; V565-S568 PolarHBondContact O-N 3.35Å; S568-I570 VanDerWaalsContact C-N 3.33Å; S568-I570 PolarHBondContact O-N 2.89Å; S568-H571 PolarHBondContact O-N 3.08Å; S568-C572 WeakPolarHBondContact O-CB 3.35Å; S568-C572 PolarHBondContact O-N 3.1Å; S568-C572 PolarHBondContact O-SG 2.62Å
569	Q	70.8	Confident	68.4	Low	37 Å²	37	47.1 Å²	47.1	17%	0.173	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-42.6	174.3	-74.5	170.6	-1.5	0	0	112.5	K435 I440 V565 I567 T573	K435-Q569 HydrophobicContact CD-CB 4.49Å; I440-Q569 HydrophobicContact CD1-CG 4.14Å; I440-Q569 VanDerWaalsContact CD1-NE2 3.3Å; I440-Q569 HydrophobicContact CG1-CG 4.49Å; V565-Q569 VanDerWaalsContact O-CG 3.28Å; V565-Q569 WeakPolarHBondContact O-CG 3.37Å; V565-Q569 PolarHBondContact O-N 2.82Å; I567-Q569 VanDerWaalsContact C-N 3.27Å; I567-Q569 PolarHBondContact O-N 2.99Å; Q569-T573 VanDerWaalsContact O-CG2 3.3Å; Q569-T573 WeakPolarHBondContact O-CG2 3.29Å; Q569-T573 PolarHBondContact O-N 2.89Å; Q569-T573 VanDerWaalsContact O-N 3.15Å; Q569-T573 PolarHBondContact O-OG1 2.9Å
570	I	71	Confident	66.1	Low	8 Å²	8	51.6 Å²	51.6	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-64.8	-49.5	179.4	-68.2	165.1	0	0	0	110.1	K435 M506 Y508 S566 I567 S568 T573 Q574	K435-I570 HydrophobicContact CD-CG1 4.25Å; K435-I570 VanDerWaalsContact CE-CG1 3.48Å; K435-I570 HydrophobicContact CG-CG1 4.4Å; M506-I570 HydrophobicContact SD-CD1 4.23Å; Y508-I570 HydrophobicContact CE2-CG2 4.26Å; S566-I570 WeakPolarHBondContact O-CD1 3.45Å; S566-I570 VanDerWaalsContact O-CG1 3.28Å; S566-I570 WeakPolarHBondContact O-CG1 3.35Å; S566-I570 PolarHBondContact O-N 3.38Å; I567-I570 WeakPolarHBondContact O-CB 3.41Å; I567-I570 PolarHBondContact O-N 2.92Å; S568-I570 VanDerWaalsContact C-N 3.33Å; S568-I570 PolarHBondContact O-N 2.89Å; I570-T573 PolarHBondContact O-N 2.89Å; I570-T573 PolarHBondContact O-OG1 3.38Å; I570-Q574 VanDerWaalsContact O-CD 3.3Å; I570-Q574 VanDerWaalsContact O-CG 3.27Å; I570-Q574 WeakPolarHBondContact O-CG 3.44Å; I570-Q574 PolarHBondContact O-N 2.87Å; I570-Q574 PolarHBondContact O-OE1 2.87Å
571	H	67.1	Low	63.9	Low	49 Å²	49	55.4 Å²	55.4	23%	0.227	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-39.8	-179.4	-73.9	-52	0	0	0	113.2	I567 S568 T573 Q574 S575 T591	I567-H571 WeakPolarHBondContact CG2-CD2 3.45Å; I567-H571 PolarHBondContact O-N 3.4Å; S568-H571 PolarHBondContact O-N 3.08Å; H571-T573 VanDerWaalsContact C-N 3.31Å; H571-T573 PolarHBondContact O-N 3.2Å; H571-Q574 PolarHBondContact O-N 3.46Å; H571-S575 PolarHBondContact O-N 2.95Å; H571-S575 VanDerWaalsContact O-N 3.09Å; H571-S575 PolarHBondContact O-OG 3.41Å; H571-S575 VanDerWaalsContact O-OG 3.05Å; H571-T591 PolarHBondContact CD2-OG1 2.85Å
572	C	60.7	Low	61.9	Low	28 Å²	28	56 Å²	56	19%	0.189	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-39.9	174.6	-71.6	0	0	0	0	111.8	L439 S568 Q574 S575	L439-C572 HydrophobicContact CD1-CB 4.03Å; S568-C572 WeakPolarHBondContact O-CB 3.35Å; S568-C572 PolarHBondContact O-N 3.1Å; S568-C572 PolarHBondContact O-SG 2.62Å; C572-Q574 VanDerWaalsContact C-N 3.29Å; C572-Q574 PolarHBondContact O-N 3.35Å; C572-S575 PolarHBondContact O-OG 3.11Å
573	T	61.6	Low	59.9	Low	20 Å²	20	59 Å²	59	12%	0.123	34%	0.344	C	S	.	.	H	α-helix	trans	-69.7	-26.6	178.1	53.9	0	0	0	0	113.8	C436 Q569 I570 H571	C436-T573 HydrophobicContact CB-CG2 4.08Å; Q569-T573 VanDerWaalsContact O-CG2 3.3Å; Q569-T573 WeakPolarHBondContact O-CG2 3.29Å; Q569-T573 PolarHBondContact O-N 2.89Å; Q569-T573 VanDerWaalsContact O-N 3.15Å; Q569-T573 PolarHBondContact O-OG1 2.9Å; I570-T573 PolarHBondContact O-N 2.89Å; I570-T573 PolarHBondContact O-OG1 3.38Å; H571-T573 VanDerWaalsContact C-N 3.31Å; H571-T573 PolarHBondContact O-N 3.2Å
574	Q	63.9	Low	57.9	Low	45 Å²	45	60.9 Å²	60.9	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-88.7	-37.2	-173.4	-74.4	164.3	-8.2	0	0	114.1	Y508 I570 H571 C572 G576	Y508-Q574 PolarHBondContact OH-NE2 2.99Å; Y508-Q574 PolarHBondContact OH-OE1 2.81Å; I570-Q574 VanDerWaalsContact O-CD 3.3Å; I570-Q574 VanDerWaalsContact O-CG 3.27Å; I570-Q574 WeakPolarHBondContact O-CG 3.44Å; I570-Q574 PolarHBondContact O-N 2.87Å; I570-Q574 PolarHBondContact O-OE1 2.87Å; H571-Q574 PolarHBondContact O-N 3.46Å; C572-Q574 VanDerWaalsContact C-N 3.29Å; C572-Q574 PolarHBondContact O-N 3.35Å; Q574-G576 PolarHBondContact O-N 3.32Å
575	S	58.1	Low	56	Low	62 Å²	62	63.8 Å²	63.8	43%	0.434	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-20.4	176.7	49.5	0	0	0	0	111.7	H571 C572 L577	H571-S575 PolarHBondContact O-N 2.95Å; H571-S575 VanDerWaalsContact O-N 3.09Å; H571-S575 PolarHBondContact O-OG 3.41Å; H571-S575 VanDerWaalsContact O-OG 3.05Å; C572-S575 PolarHBondContact O-OG 3.11Å; S575-L577 VanDerWaalsContact O-CG 3.25Å; S575-L577 WeakPolarHBondContact O-CG 3.26Å; S575-L577 PolarHBondContact O-N 2.91Å
576	G	51.9	Low	54.5	Low	73 Å²	73	64.2 Å²	64.2	75%	0.753	38%	0.375	S	S	*	.			trans	61.5	2.8	-175.1	0	0	0	0	0	113.2	Q574	Q574-G576 PolarHBondContact O-N 3.32Å
577	L	45	Very low	53.3	Low	74 Å²	74	65 Å²	65	39%	0.387	38%	0.38	S	S	.	.	S	Bend	trans	-102.9	137.4	-169.5	-75.7	157.5	0	0	0	108.4	S575 I583	S575-L577 VanDerWaalsContact O-CG 3.25Å; S575-L577 WeakPolarHBondContact O-CG 3.26Å; S575-L577 PolarHBondContact O-N 2.91Å; L577-I583 HydrophobicContact CD1-CD1 4.11Å
578	S	41	Very low	52.3	Low	82 Å²	82	69.1 Å²	69.1	57%	0.573	40%	0.402	S	S	*	.			trans	-54.9	137.9	149.2	51.7	0	0	0	0	107.3	D580	S578-D580 PolarHBondContact O-N 3.06Å
579	C	40.8	Very low	51.8	Low	41 Å²	41	72.2 Å²	72.2	28%	0.277	41%	0.411	S	S	.	.			trans	-49.3	94.6	179.9	-60.2	0	0	0	0	111.7	L584	C579-L584 HydrophobicContact CB-CD1 4.26Å
580	D	36.1	Very low	51.6	Low	99 Å²	99	74.2 Å²	74.2	53%	0.529	42%	0.423	S	S	.	.			trans	-96.8	127.1	169.7	-78.9	-18.1	0	0	0	108.1	S578 N582	S578-D580 PolarHBondContact O-N 3.06Å; D580-N582 VanDerWaalsContact C-N 3.31Å; D580-N582 PolarHBondContact O-N 3.39Å; D580-N582 VanDerWaalsContact O-N 3.14Å
581	D	39.1	Very low	51.6	Low	128 Å²	128	74.4 Å²	74.4	68%	0.684	43%	0.425	S	S	*	.	H	α-helix	trans	-62	-25.2	-160.4	-67.2	-38.3	0	0	0	116	L584	D581-L584 WeakPolarHBondContact O-CB 3.42Å; D581-L584 PolarHBondContact O-N 3.06Å
582	N	41.1	Very low	52.3	Low	159 Å²	159	77.1 Å²	77.1	85%	0.85	44%	0.437	S	S	*	.	H	α-helix	trans	-84.1	-21.1	-170.2	-70.7	-18.5	0	0	0	114.6	D580 L584	D580-N582 VanDerWaalsContact C-N 3.31Å; D580-N582 PolarHBondContact O-N 3.39Å; D580-N582 VanDerWaalsContact O-N 3.14Å; N582-L584 VanDerWaalsContact C-N 3.35Å
583	I	40.6	Very low	53.3	Low	105 Å²	105	81.7 Å²	81.7	54%	0.538	45%	0.454	S	S	.	.	H	α-helix	trans	-87.2	-16.5	172	-60.9	170.8	0	0	0	110	L577 E585 S587	L577-I583 HydrophobicContact CD1-CD1 4.11Å; I583-E585 PolarHBondContact O-N 3.13Å; I583-S587 WeakPolarHBondContact O-CB 3.48Å; I583-S587 PolarHBondContact O-N 3.29Å; I583-S587 PolarHBondContact O-OG 3.06Å
584	L	40.3	Very low	54.2	Low	40 Å²	40	84.9 Å²	84.9	21%	0.209	46%	0.464	C	S	.	.	H	α-helix	trans	-62.7	-41.7	-177.5	-81.8	166.8	0	0	0	111.6	C579 D581 N582 T586 S587 L588	C579-L584 HydrophobicContact CB-CD1 4.26Å; D581-L584 WeakPolarHBondContact O-CB 3.42Å; D581-L584 PolarHBondContact O-N 3.06Å; N582-L584 VanDerWaalsContact C-N 3.35Å; L584-T586 PolarHBondContact O-N 3.25Å; L584-S587 VanDerWaalsContact CA-OG 3.31Å; L584-S587 WeakPolarHBondContact CA-OG 3.33Å; L584-S587 CarbonylContact O-C 3.57Å; L584-S587 PolarHBondContact O-N 2.94Å; L584-S587 VanDerWaalsContact O-N 3.14Å; L584-S587 PolarHBondContact O-OG 3.23Å; L584-L588 HydrophobicContact CB-CD1 4.11Å; L584-L588 HydrophobicContact CB-CG 4.48Å; L584-L588 WeakPolarHBondContact O-CA 3.28Å; L584-L588 WeakPolarHBondContact O-CB 3.38Å; L584-L588 WeakPolarHBondContact O-CG 3.28Å; L584-L588 PolarHBondContact O-N 2.75Å
585	E	43.2	Very low	55.1	Low	148 Å²	148	82.9 Å²	82.9	69%	0.692	45%	0.454	S	S	*	.	H	α-helix	trans	-61.1	-49.7	-172.7	-146.4	173.2	-151.3	0	0	113.8	I583 S587 L588 E589	I583-E585 PolarHBondContact O-N 3.13Å; E585-S587 VanDerWaalsContact C-N 3.34Å; E585-S587 PolarHBondContact O-N 2.92Å; E585-L588 PolarHBondContact O-N 3.49Å; E585-E589 PolarHBondContact O-N 2.95Å
586	T	46.3	Very low	56.5	Low	89 Å²	89	84.3 Å²	84.3	55%	0.546	46%	0.457	S	S	.	.	H	α-helix	trans	-68.2	-33.8	175.3	51.4	0	0	0	0	112.5	L584 N590	L584-T586 PolarHBondContact O-N 3.25Å; T586-N590 WeakPolarHBondContact O-CB 3.29Å; T586-N590 PolarHBondContact O-N 3.09Å; T586-N590 PolarHBondContact O-ND2 3.28Å
587	S	53.9	Low	58	Low	33 Å²	33	85.3 Å²	85.3	23%	0.231	44%	0.439	C	S	.	.	H	α-helix	trans	-69	-34.4	174.2	79.4	0	0	0	0	112	I583 L584 E585 N590 T591	I583-S587 WeakPolarHBondContact O-CB 3.48Å; I583-S587 PolarHBondContact O-N 3.29Å; I583-S587 PolarHBondContact O-OG 3.06Å; L584-S587 VanDerWaalsContact CA-OG 3.31Å; L584-S587 WeakPolarHBondContact CA-OG 3.33Å; L584-S587 CarbonylContact O-C 3.57Å; L584-S587 PolarHBondContact O-N 2.94Å; L584-S587 VanDerWaalsContact O-N 3.14Å; L584-S587 PolarHBondContact O-OG 3.23Å; E585-S587 VanDerWaalsContact C-N 3.34Å; E585-S587 PolarHBondContact O-N 2.92Å; S587-N590 PolarHBondContact O-N 3.07Å; S587-T591 VanDerWaalsContact O-CB 3.26Å; S587-T591 WeakPolarHBondContact O-CB 3.14Å; S587-T591 PolarHBondContact O-N 2.76Å; S587-T591 PolarHBondContact O-OG1 2.91Å
588	L	55.7	Low	60	Low	85 Å²	85	81.8 Å²	81.8	45%	0.445	42%	0.42	S	S	.	.	H	α-helix	trans	-70	-47	178.6	-77.4	166.5	0	0	0	109.9	L584 E585 N590 T591 E592	L584-L588 HydrophobicContact CB-CD1 4.11Å; L584-L588 HydrophobicContact CB-CG 4.48Å; L584-L588 WeakPolarHBondContact O-CA 3.28Å; L584-L588 WeakPolarHBondContact O-CB 3.38Å; L584-L588 WeakPolarHBondContact O-CG 3.28Å; L584-L588 PolarHBondContact O-N 2.75Å; E585-L588 PolarHBondContact O-N 3.49Å; L588-N590 VanDerWaalsContact C-N 3.3Å; L588-N590 PolarHBondContact O-N 2.98Å; L588-T591 CarbonylContact O-C 3.54Å; L588-T591 WeakPolarHBondContact O-CA 3.13Å; L588-T591 WeakPolarHBondContact O-CB 3.19Å; L588-T591 PolarHBondContact O-N 3.08Å; L588-E592 PolarHBondContact O-N 2.65Å
589	E	58.8	Low	62.3	Low	112 Å²	112	79.6 Å²	79.6	52%	0.523	40%	0.402	S	S	.	.	H	α-helix	trans	-58.4	-43.4	174.4	-75.4	-170.3	177	0	0	111.8	E585 T591 E592 K593	E585-E589 PolarHBondContact O-N 2.95Å; E589-T591 VanDerWaalsContact C-N 3.33Å; E589-E592 PolarHBondContact O-N 2.93Å; E589-K593 WeakPolarHBondContact O-CG 3.3Å; E589-K593 PolarHBondContact O-N 3.33Å
590	N	67.3	Low	64.5	Low	78 Å²	78	82.9 Å²	82.9	42%	0.417	41%	0.413	S	S	.	.	H	α-helix	trans	-66.7	-37.6	175.7	-74	-25.8	0	0	0	111.5	T586 S587 L588 K593 W594	T586-N590 WeakPolarHBondContact O-CB 3.29Å; T586-N590 PolarHBondContact O-N 3.09Å; T586-N590 PolarHBondContact O-ND2 3.28Å; S587-N590 PolarHBondContact O-N 3.07Å; L588-N590 VanDerWaalsContact C-N 3.3Å; L588-N590 PolarHBondContact O-N 2.98Å; N590-K593 PolarHBondContact O-N 3.41Å; N590-W594 PolarHBondContact O-N 3.36Å
591	T	71.6	Confident	67	Low	13 Å²	13	79 Å²	79	8%	0.08	39%	0.391	C	S	.	.	H	α-helix	trans	-62.3	-45.3	175.6	-61.7	0	0	0	0	110.9	I567 H571 S587 L588 E589 K593 W594 I595	I567-T591 HydrophobicContact CG2-CG2 3.68Å; H571-T591 PolarHBondContact CD2-OG1 2.85Å; S587-T591 VanDerWaalsContact O-CB 3.26Å; S587-T591 WeakPolarHBondContact O-CB 3.14Å; S587-T591 PolarHBondContact O-N 2.76Å; S587-T591 PolarHBondContact O-OG1 2.91Å; L588-T591 CarbonylContact O-C 3.54Å; L588-T591 WeakPolarHBondContact O-CA 3.13Å; L588-T591 WeakPolarHBondContact O-CB 3.19Å; L588-T591 PolarHBondContact O-N 3.08Å; E589-T591 VanDerWaalsContact C-N 3.33Å; T591-K593 PolarHBondContact O-N 2.93Å; T591-W594 PolarHBondContact O-N 2.94Å; T591-I595 HydrophobicContact CG2-CD1 3.65Å; T591-I595 HydrophobicContact CG2-CG1 4.34Å; T591-I595 WeakPolarHBondContact O-CD1 3.34Å; T591-I595 VanDerWaalsContact O-CG1 3.24Å; T591-I595 WeakPolarHBondContact O-CG1 3.27Å; T591-I595 PolarHBondContact O-N 3.4Å
592	E	81.1	Confident	69.4	Low	105 Å²	105	73.1 Å²	73.1	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-40.7	176.2	-73.3	-168.5	162	0	0	112.3	L588 E589 W594 I595 N596	L588-E592 PolarHBondContact O-N 2.65Å; E589-E592 PolarHBondContact O-N 2.93Å; E592-W594 VanDerWaalsContact C-N 3.32Å; E592-W594 PolarHBondContact O-N 2.96Å; E592-I595 PolarHBondContact O-N 3.38Å; E592-N596 WeakPolarHBondContact O-CB 3.47Å; E592-N596 VanDerWaalsContact O-CG 3.29Å; E592-N596 PolarHBondContact O-N 3.41Å; E592-N596 PolarHBondContact O-ND2 2.69Å
593	K	82.4	Confident	71.6	Confident	125 Å²	125	69.6 Å²	69.6	54%	0.543	34%	0.341	S	S	.	.	H	α-helix	trans	-57.6	-45.4	173	-72.5	170	-170.4	161.3	0	111.2	E589 N590 T591 W597	E589-K593 WeakPolarHBondContact O-CG 3.3Å; E589-K593 PolarHBondContact O-N 3.33Å; N590-K593 PolarHBondContact O-N 3.41Å; T591-K593 PolarHBondContact O-N 2.93Å; K593-W597 VanDerWaalsContact O-CB 3.23Å; K593-W597 WeakPolarHBondContact O-CB 3.25Å; K593-W597 PolarHBondContact O-N 2.9Å
594	W	79.7	Confident	73.9	Confident	87 Å²	87	69.3 Å²	69.3	33%	0.33	34%	0.337	S	S	.	.	H	α-helix	trans	-66.2	-43	177.2	-69.2	121.4	0	0	0	112.8	M506 I567 N590 T591 E592 W597 Y598	M506-W594 HydrophobicContact CE-CB 4.12Å; M506-W594 HydrophobicContact CE-CG 4.24Å; I567-W594 HydrophobicContact CD1-CB 4.32Å; N590-W594 PolarHBondContact O-N 3.36Å; T591-W594 PolarHBondContact O-N 2.94Å; E592-W594 VanDerWaalsContact C-N 3.32Å; E592-W594 PolarHBondContact O-N 2.96Å; W594-W597 HydrophobicContact CE3-CE3 4.45Å; W594-W597 WeakPolarHBondContact O-CB 3.24Å; W594-W597 PolarHBondContact O-N 3.45Å; W594-Y598 VanDerWaalsContact O-CD2 3.26Å; W594-Y598 WeakPolarHBondContact O-CD2 3.32Å; W594-Y598 PolarHBondContact O-N 3.13Å
595	I	84	Confident	76.2	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-59.8	-51.7	177.7	-67.9	157.9	0	0	0	110.1	E560 I563 R564 I567 T591 E592 W597 Y598 I599	E560-I595 HydrophobicContact CG-CG2 4.44Å; I563-I595 HydrophobicContact CG2-CG1 4.34Å; R564-I595 HydrophobicContact CG-CD1 3.62Å; R564-I595 HydrophobicContact CG-CG1 4.23Å; R564-I595 HydrophobicContact CG-CG2 4.4Å; I567-I595 HydrophobicContact CD1-CG1 3.83Å; T591-I595 HydrophobicContact CG2-CD1 3.65Å; T591-I595 HydrophobicContact CG2-CG1 4.34Å; T591-I595 WeakPolarHBondContact O-CD1 3.34Å; T591-I595 VanDerWaalsContact O-CG1 3.24Å; T591-I595 WeakPolarHBondContact O-CG1 3.27Å; T591-I595 PolarHBondContact O-N 3.4Å; E592-I595 PolarHBondContact O-N 3.38Å; I595-W597 VanDerWaalsContact C-N 3.27Å; I595-W597 PolarHBondContact O-N 3.42Å; I595-Y598 PolarHBondContact O-N 2.8Å; I595-Y598 VanDerWaalsContact O-N 3.12Å; I595-I599 HydrophobicContact CG2-CD1 3.7Å; I595-I599 HydrophobicContact CG2-CG1 4.36Å; I595-I599 WeakPolarHBondContact O-CG1 3.43Å; I595-I599 PolarHBondContact O-N 2.9Å
596	N	86.5	Confident	78.3	Confident	92 Å²	92	62.7 Å²	62.7	49%	0.492	31%	0.306	S	S	.	.	H	α-helix	trans	-60	-40.9	178.9	-72.1	-23.7	0	0	0	111.2	E592 I599 Q600	E592-N596 WeakPolarHBondContact O-CB 3.47Å; E592-N596 VanDerWaalsContact O-CG 3.29Å; E592-N596 PolarHBondContact O-N 3.41Å; E592-N596 PolarHBondContact O-ND2 2.69Å; N596-I599 PolarHBondContact O-N 3.5Å; N596-Q600 WeakPolarHBondContact O-CB 3.43Å; N596-Q600 PolarHBondContact O-N 3.2Å
597	W	84.6	Confident	80.3	Confident	95 Å²	95	60.6 Å²	60.6	36%	0.36	29%	0.294	S	S	.	.	H	α-helix	trans	-60.6	-44.3	174.7	-177.7	88.5	0	0	0	112.2	K593 W594 I595 R601	K593-W597 VanDerWaalsContact O-CB 3.23Å; K593-W597 WeakPolarHBondContact O-CB 3.25Å; K593-W597 PolarHBondContact O-N 2.9Å; W594-W597 HydrophobicContact CE3-CE3 4.45Å; W594-W597 WeakPolarHBondContact O-CB 3.24Å; W594-W597 PolarHBondContact O-N 3.45Å; I595-W597 VanDerWaalsContact C-N 3.27Å; I595-W597 PolarHBondContact O-N 3.42Å; W597-R601 WeakPolarHBondContact O-CB 3.39Å; W597-R601 PolarHBondContact O-N 2.91Å
598	Y	86.8	Confident	81.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-68.3	-39.3	177.8	-90.1	-67.9	0	0	0	113.7	V404 I505 M506 E532 I567 W594 I595 R601 T602	V404-Y598 HydrophobicContact CB-CE1 4.33Å; V404-Y598 HydrophobicContact CG2-CE1 3.81Å; I505-Y598 WeakPolarHBondContact CG2-OH 3.33Å; M506-Y598 HydrophobicContact CE-CE2 4.08Å; M506-Y598 HydrophobicContact CG-CE2 3.59Å; M506-Y598 WeakPolarHBondContact CG-OH 3.43Å; M506-Y598 HydrophobicContact SD-CE2 3.76Å; E532-Y598 WeakPolarHBondContact OE1-CE1 3.42Å; E532-Y598 PolarHBondContact OE1-OH 3.15Å; I567-Y598 HydrophobicContact CD1-CD2 4.25Å; W594-Y598 VanDerWaalsContact O-CD2 3.26Å; W594-Y598 WeakPolarHBondContact O-CD2 3.32Å; W594-Y598 PolarHBondContact O-N 3.13Å; I595-Y598 PolarHBondContact O-N 2.8Å; I595-Y598 VanDerWaalsContact O-N 3.12Å; Y598-R601 PolarHBondContact O-N 3.25Å; Y598-T602 WeakPolarHBondContact O-CB 3.49Å; Y598-T602 PolarHBondContact O-N 3.24Å; Y598-T602 PolarHBondContact O-OG1 3.31Å
599	I	87.9	Confident	83.4	Confident	36 Å²	36	59.8 Å²	59.8	19%	0.185	29%	0.285	C	S	.	.	H	α-helix	trans	-62.6	-51.7	175.7	-68.1	169.7	0	0	0	108.9	E560 I563 I595 N596 R601 T602 D603	E560-I599 HydrophobicContact CB-CD1 3.94Å; E560-I599 HydrophobicContact CG-CD1 3.78Å; I563-I599 HydrophobicContact CD1-CG1 4.34Å; I595-I599 HydrophobicContact CG2-CD1 3.7Å; I595-I599 HydrophobicContact CG2-CG1 4.36Å; I595-I599 WeakPolarHBondContact O-CG1 3.43Å; I595-I599 PolarHBondContact O-N 2.9Å; N596-I599 PolarHBondContact O-N 3.5Å; I599-R601 VanDerWaalsContact C-N 3.29Å; I599-R601 PolarHBondContact O-N 3.35Å; I599-T602 PolarHBondContact O-N 2.77Å; I599-T602 VanDerWaalsContact O-N 3.13Å; I599-D603 WeakPolarHBondContact O-CB 3.47Å; I599-D603 PolarHBondContact O-N 2.99Å
600	Q	87.9	Confident	84.7	Confident	110 Å²	110	58.1 Å²	58.1	51%	0.514	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-42.7	177.4	-172.7	-176.8	3.9	0	0	111.5	N596 T602 Q604	N596-Q600 WeakPolarHBondContact O-CB 3.43Å; N596-Q600 PolarHBondContact O-N 3.2Å; Q600-T602 VanDerWaalsContact C-N 3.34Å; Q600-T602 PolarHBondContact O-N 3.18Å; Q600-Q604 HydrophobicContact CG-CG 4.36Å; Q600-Q604 VanDerWaalsContact CG-OE1 3.32Å; Q600-Q604 VanDerWaalsContact O-CB 3.28Å; Q600-Q604 WeakPolarHBondContact O-CB 3.25Å; Q600-Q604 PolarHBondContact O-N 3.01Å
601	R	88.5	Confident	85.7	Confident	16 Å²	16	63 Å²	63	6%	0.06	29%	0.29	C	S	.	.	I	π-helix	trans	-60.7	-43.5	176.7	-173.2	174.3	179.9	116.1	1.7	111.6	E532 E534 W597 Y598 I599 L605 Y606	E532-R601 IonicContact OE2-NE 2.82Å; E534-R601 IonicContact OE1-CZ 3.17Å; E534-R601 IonicContact OE1-NH1 3.91Å; E534-R601 PolarHBondContact OE1-NH1 3.17Å; E534-R601 IonicContact OE1-NH2 2.83Å; E534-R601 PolarHBondContact OE1-NH2 3.46Å; E534-R601 IonicContact OE2-NH2 2.8Å; E534-R601 PolarHBondContact OE2-NH2 3.14Å; W597-R601 WeakPolarHBondContact O-CB 3.39Å; W597-R601 PolarHBondContact O-N 2.91Å; Y598-R601 PolarHBondContact O-N 3.25Å; I599-R601 VanDerWaalsContact C-N 3.29Å; I599-R601 PolarHBondContact O-N 3.35Å; R601-L605 HydrophobicContact CG-CB 4.05Å; R601-L605 HydrophobicContact CG-CD2 3.7Å; R601-L605 HydrophobicContact CG-CG 4.49Å; R601-L605 WeakPolarHBondContact O-CA 3.43Å; R601-L605 WeakPolarHBondContact O-CB 3.39Å; R601-L605 PolarHBondContact O-N 2.79Å; R601-Y606 HydrophobicContact CG-CD2 4.24Å; R601-Y606 HydrophobicContact CG-CE2 4.02Å; R601-Y606 WeakPolarHBondContact O-CD2 3.47Å; R601-Y606 PolarHBondContact O-N 3.49Å; R601-Y606 VanDerWaalsContact O-N 3.11Å
602	T	88.2	Confident	86.5	Confident	5 Å²	5	67.3 Å²	67.3	3%	0.031	31%	0.312	C	S	.	.	I	π-helix	trans	-70.6	-42.4	-179.1	-54.5	0	0	0	0	112.1	P403 L552 P553 L556 Y559 Y598 I599 Q600 P607	P403-T602 HydrophobicContact CG-CG2 3.88Å; L552-T602 HydrophobicContact CD2-CG2 4.42Å; P553-T602 HydrophobicContact CG-CG2 3.71Å; L556-T602 HydrophobicContact CD2-CG2 4.17Å; Y559-T602 HydrophobicContact CD1-CG2 4.19Å; Y559-T602 HydrophobicContact CE1-CG2 3.78Å; Y559-T602 VanDerWaalsContact CE1-OG1 3.28Å; Y559-T602 WeakPolarHBondContact CE1-OG1 3.5Å; Y598-T602 WeakPolarHBondContact O-CB 3.49Å; Y598-T602 PolarHBondContact O-N 3.24Å; Y598-T602 PolarHBondContact O-OG1 3.31Å; I599-T602 PolarHBondContact O-N 2.77Å; I599-T602 VanDerWaalsContact O-N 3.13Å; Q600-T602 VanDerWaalsContact C-N 3.34Å; Q600-T602 PolarHBondContact O-N 3.18Å; T602-P607 VanDerWaalsContact O-CD 3.24Å; T602-P607 WeakPolarHBondContact O-CD 3.13Å
603	D	87.9	Confident	86.7	Confident	85 Å²	85	65.3 Å²	65.3	46%	0.455	31%	0.305	S	S	.	.	I	π-helix	trans	-74.8	-37.7	-178.6	-176.6	49.5	0	0	0	112.9	L556 I599 P607	L556-D603 HydrophobicContact CD1-CB 3.9Å; L556-D603 WeakPolarHBondContact CD1-OD1 3.38Å; L556-D603 HydrophobicContact CD2-CB 4.45Å; I599-D603 WeakPolarHBondContact O-CB 3.47Å; I599-D603 PolarHBondContact O-N 2.99Å; D603-P607 WeakPolarHBondContact O-CG 3.23Å
604	Q	88.8	Confident	86.9	Confident	99 Å²	99	64.9 Å²	64.9	46%	0.463	32%	0.315	S	S	.	.	I	π-helix	trans	-107.1	-55.4	-173.2	-57.8	-179.6	-10.5	0	0	112.6	Q600 Q608	Q600-Q604 HydrophobicContact CG-CG 4.36Å; Q600-Q604 VanDerWaalsContact CG-OE1 3.32Å; Q600-Q604 VanDerWaalsContact O-CB 3.28Å; Q600-Q604 WeakPolarHBondContact O-CB 3.25Å; Q600-Q604 PolarHBondContact O-N 3.01Å; Q604-Q608 WeakPolarHBondContact O-CB 3.4Å; Q604-Q608 PolarHBondContact O-N 2.97Å
605	L	88.1	Confident	87	Confident	50 Å²	50	63.5 Å²	63.5	26%	0.262	33%	0.327	S	S	.	.	I	π-helix	trans	-71.7	-45.9	-166.5	-170.9	67	0	0	0	112.9	L361 L533 R601 Q608 I609	L361-L605 HydrophobicContact CD1-CD2 3.48Å; L361-L605 VanDerWaalsContact CD1-CD2 3.48Å; L361-L605 HydrophobicContact CD1-CG 4.19Å; L361-L605 HydrophobicContact CG-CD2 4.26Å; L533-L605 HydrophobicContact CD1-CD2 4.43Å; R601-L605 HydrophobicContact CG-CB 4.05Å; R601-L605 HydrophobicContact CG-CD2 3.7Å; R601-L605 HydrophobicContact CG-CG 4.49Å; R601-L605 WeakPolarHBondContact O-CA 3.43Å; R601-L605 WeakPolarHBondContact O-CB 3.39Å; R601-L605 PolarHBondContact O-N 2.79Å; L605-Q608 PolarHBondContact O-N 3.06Å; L605-I609 HydrophobicContact CD1-CD1 4.02Å; L605-I609 HydrophobicContact CG-CD1 3.87Å; L605-I609 WeakPolarHBondContact O-CG1 3.46Å; L605-I609 PolarHBondContact O-N 2.84Å
606	Y	89.2	Confident	87.2	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63	-50.9	179.6	-81.4	-92	0	0	0	112.2	I401 G402 P403 E532 L533 L550 L552 R601 Q608 I609 H610	I401-Y606 HydrophobicContact CG2-CE1 4.29Å; G402-Y606 PolarHBondContact O-OH 3.24Å; P403-Y606 HydrophobicContact CB-CE2 3.81Å; P403-Y606 HydrophobicContact CG-CE2 4.38Å; E532-Y606 PolarHBondContact OE2-OH 3.35Å; E532-Y606 VanDerWaalsContact OE2-OH 3.1Å; L533-Y606 HydrophobicContact CD1-CD1 3.82Å; L533-Y606 HydrophobicContact CD1-CD2 4.21Å; L533-Y606 HydrophobicContact CD1-CE1 3.75Å; L533-Y606 HydrophobicContact CD1-CE2 4.12Å; L533-Y606 HydrophobicContact CD1-CG 4.07Å; L533-Y606 HydrophobicContact CD2-CD1 3.86Å; L533-Y606 HydrophobicContact CD2-CE1 3.79Å; L533-Y606 HydrophobicContact CG-CD1 3.86Å; L533-Y606 HydrophobicContact CG-CE1 3.45Å; L533-Y606 VanDerWaalsContact CG-CE1 3.45Å; L550-Y606 HydrophobicContact CD1-CD1 3.63Å; L550-Y606 HydrophobicContact CD1-CE1 3.99Å; L552-Y606 HydrophobicContact CD2-CD1 3.91Å; L552-Y606 HydrophobicContact CD2-CD2 4.41Å; L552-Y606 HydrophobicContact CD2-CG 3.78Å; R601-Y606 HydrophobicContact CG-CD2 4.24Å; R601-Y606 HydrophobicContact CG-CE2 4.02Å; R601-Y606 WeakPolarHBondContact O-CD2 3.47Å; R601-Y606 PolarHBondContact O-N 3.49Å; R601-Y606 VanDerWaalsContact O-N 3.11Å; Y606-Q608 VanDerWaalsContact C-N 3.29Å; Y606-Q608 PolarHBondContact O-N 2.78Å; Y606-I609 PolarHBondContact O-N 3.09Å; Y606-H610 PolarHBondContact O-N 2.85Å
607	P	86.4	Confident	87.4	Confident	45 Å²	45	59.9 Å²	59.9	29%	0.292	31%	0.307	S	S	.	.	H	α-helix	trans	-62.7	-33.4	174.9	-26.6	36.9	0	0	0	113.5	T602 D603 R611	T602-P607 VanDerWaalsContact O-CD 3.24Å; T602-P607 WeakPolarHBondContact O-CD 3.13Å; D603-P607 WeakPolarHBondContact O-CG 3.23Å; P607-R611 WeakPolarHBondContact O-CB 3.18Å; P607-R611 VanDerWaalsContact O-CG 3.32Å; P607-R611 WeakPolarHBondContact O-CG 3.22Å; P607-R611 PolarHBondContact O-N 3.38Å; P607-R611 VanDerWaalsContact O-N 3.12Å; P607-R611 PolarHBondContact O-NE 2.93Å
608	Q	88.1	Confident	87.6	Confident	88 Å²	88	59.3 Å²	59.3	41%	0.411	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-50.4	174	-179.8	178	-2.7	0	0	111.3	Q604 L605 Y606 H610 R611 D612	Q604-Q608 WeakPolarHBondContact O-CB 3.4Å; Q604-Q608 PolarHBondContact O-N 2.97Å; L605-Q608 PolarHBondContact O-N 3.06Å; Y606-Q608 VanDerWaalsContact C-N 3.29Å; Y606-Q608 PolarHBondContact O-N 2.78Å; Q608-H610 VanDerWaalsContact C-N 3.32Å; Q608-H610 PolarHBondContact O-N 3.42Å; Q608-R611 PolarHBondContact O-N 2.86Å; Q608-R611 VanDerWaalsContact O-N 3.15Å; Q608-D612 VanDerWaalsContact CG-OD2 3.26Å; Q608-D612 WeakPolarHBondContact CG-OD2 3.49Å; Q608-D612 PolarHBondContact NE2-OD2 2.87Å; Q608-D612 WeakPolarHBondContact O-CB 3.25Å; Q608-D612 VanDerWaalsContact O-CG 3.28Å; Q608-D612 PolarHBondContact O-N 3.23Å
609	I	87.3	Confident	87.7	Confident	13 Å²	13	60 Å²	60	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-63.3	-39	-178.7	-75.7	167.5	0	0	0	112.1	L361 L533 L605 Y606 D612 N613 L616 F617	L361-I609 HydrophobicContact CD1-CD1 3.73Å; L533-I609 HydrophobicContact CD1-CD1 3.59Å; L533-I609 HydrophobicContact CD2-CD1 4.48Å; L533-I609 HydrophobicContact CD2-CG2 4.3Å; L605-I609 HydrophobicContact CD1-CD1 4.02Å; L605-I609 HydrophobicContact CG-CD1 3.87Å; L605-I609 WeakPolarHBondContact O-CG1 3.46Å; L605-I609 PolarHBondContact O-N 2.84Å; Y606-I609 PolarHBondContact O-N 3.09Å; I609-D612 PolarHBondContact O-N 3.26Å; I609-N613 WeakPolarHBondContact O-CB 3.14Å; I609-N613 PolarHBondContact O-N 3.44Å; I609-N613 PolarHBondContact O-ND2 2.86Å; I609-L616 HydrophobicContact CG2-CD2 3.41Å; I609-L616 VanDerWaalsContact CG2-CD2 3.41Å; I609-F617 HydrophobicContact CG2-CE2 4.24Å; I609-F617 HydrophobicContact CG2-CZ 4.43Å
610	H	87.5	Confident	87.7	Confident	77 Å²	77	61.4 Å²	61.4	36%	0.356	33%	0.328	S	S	.	.	H	α-helix	trans	-62.4	-42.3	174.7	177.5	-132.7	0	0	0	112	L550 Y606 Q608 F617	L550-H610 HydrophobicContact CD2-CB 4.39Å; Y606-H610 PolarHBondContact O-N 2.85Å; Q608-H610 VanDerWaalsContact C-N 3.32Å; Q608-H610 PolarHBondContact O-N 3.42Å; H610-F617 HydrophobicContact CB-CD2 4.25Å; H610-F617 HydrophobicContact CB-CE2 4.21Å; H610-F617 AromaticContact CD2-CD2 3.89Å
611	R	88.1	Confident	87.8	Confident	181 Å²	181	57 Å²	57	68%	0.683	31%	0.307	S	S	*	.	H	α-helix	trans	-68	-42.5	176.3	-75.3	-176.7	-64.5	161.6	0	112.9	P607 Q608 N613	P607-R611 WeakPolarHBondContact O-CB 3.18Å; P607-R611 VanDerWaalsContact O-CG 3.32Å; P607-R611 WeakPolarHBondContact O-CG 3.22Å; P607-R611 PolarHBondContact O-N 3.38Å; P607-R611 VanDerWaalsContact O-N 3.12Å; P607-R611 PolarHBondContact O-NE 2.93Å; Q608-R611 PolarHBondContact O-N 2.86Å; Q608-R611 VanDerWaalsContact O-N 3.15Å; R611-N613 VanDerWaalsContact C-N 3.3Å; R611-N613 PolarHBondContact O-N 3.29Å
612	D	87.5	Confident	87.7	Confident	103 Å²	103	57.6 Å²	57.6	55%	0.551	31%	0.314	S	S	*	.	H	α-helix	trans	-76.4	-19.1	-174.7	-67.7	-12	0	0	0	112.4	Q608 I609	Q608-D612 VanDerWaalsContact CG-OD2 3.26Å; Q608-D612 WeakPolarHBondContact CG-OD2 3.49Å; Q608-D612 PolarHBondContact NE2-OD2 2.87Å; Q608-D612 WeakPolarHBondContact O-CB 3.25Å; Q608-D612 VanDerWaalsContact O-CG 3.28Å; Q608-D612 PolarHBondContact O-N 3.23Å; I609-D612 PolarHBondContact O-N 3.26Å
613	N	86.4	Confident	87.4	Confident	62 Å²	62	58.2 Å²	58.2	33%	0.332	32%	0.318	S	S	.	.	S	Bend	trans	-129.7	73.7	-177.4	-54.3	-89.5	0	0	0	111.4	I609 R611 G615 L616	I609-N613 WeakPolarHBondContact O-CB 3.14Å; I609-N613 PolarHBondContact O-N 3.44Å; I609-N613 PolarHBondContact O-ND2 2.86Å; R611-N613 VanDerWaalsContact C-N 3.3Å; R611-N613 PolarHBondContact O-N 3.29Å; N613-G615 PolarHBondContact O-N 2.9Å; N613-L616 HydrophobicContact CB-CB 3.7Å; N613-L616 HydrophobicContact CB-CD2 3.87Å; N613-L616 HydrophobicContact CB-CG 4.38Å; N613-L616 WeakPolarHBondContact O-CB 3.3Å; N613-L616 PolarHBondContact O-N 3.29Å
614	P	84.5	Confident	86.8	Confident	116 Å²	116	57 Å²	57	75%	0.753	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	132.6	175.5	24.9	-33.4	0	0	0	110.8	L616	P614-L616 VanDerWaalsContact C-N 3.3Å
615	G	83.6	Confident	86.4	Confident	58 Å²	58	55.8 Å²	55.8	60%	0.598	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	6.6	-174.3	0	0	0	0	0	114.7	R540 N613	R540-G615 PolarHBondContact NH2-O 2.73Å; N613-G615 PolarHBondContact O-N 2.9Å
616	L	86.5	Confident	85.8	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.026	32%	0.316	C	S	.	.	S	Bend	trans	-64.7	-43.7	167.9	178.6	60.1	0	0	0	111.1	L536 R540 S548 I609 N613 P614	L536-L616 HydrophobicContact CD2-CD1 3.68Å; L536-L616 HydrophobicContact CD2-CD2 4.42Å; L536-L616 HydrophobicContact CD2-CG 3.86Å; L536-L616 HydrophobicContact CG-CD1 4.24Å; R540-L616 VanDerWaalsContact CZ-CD1 3.43Å; R540-L616 PolarHBondContact NH2-O 2.91Å; S548-L616 PolarHBondContact OG-O 3.09Å; I609-L616 HydrophobicContact CG2-CD2 3.41Å; I609-L616 VanDerWaalsContact CG2-CD2 3.41Å; N613-L616 HydrophobicContact CB-CB 3.7Å; N613-L616 HydrophobicContact CB-CD2 3.87Å; N613-L616 HydrophobicContact CB-CG 4.38Å; N613-L616 WeakPolarHBondContact O-CB 3.3Å; N613-L616 PolarHBondContact O-N 3.29Å; P614-L616 VanDerWaalsContact C-N 3.3Å
617	F	91.2	Very high	85.4	Confident	13 Å²	13	61.1 Å²	61.1	6%	0.057	34%	0.337	C	S	.	.			trans	-109.2	137.4	176.1	-52.7	-75.7	0	0	0	109.5	I401 L533 L536 L550 I609 H610	I401-F617 HydrophobicContact CB-CE1 4.22Å; I401-F617 HydrophobicContact CG2-CE1 4.09Å; L533-F617 HydrophobicContact CD2-CE1 4.35Å; L533-F617 HydrophobicContact CD2-CZ 3.67Å; L536-F617 HydrophobicContact CD2-CD1 3.89Å; L536-F617 HydrophobicContact CD2-CE1 3.38Å; L536-F617 HydrophobicContact CD2-CZ 4.04Å; L550-F617 HydrophobicContact CB-CB 4.18Å; L550-F617 HydrophobicContact CB-CD1 3.68Å; L550-F617 HydrophobicContact CB-CD2 4.29Å; L550-F617 HydrophobicContact CB-CE1 4.07Å; L550-F617 HydrophobicContact CB-CG 3.79Å; L550-F617 HydrophobicContact CD1-CE1 4.24Å; L550-F617 HydrophobicContact CD1-CZ 4.31Å; L550-F617 HydrophobicContact CD2-CD2 3.87Å; L550-F617 HydrophobicContact CD2-CE1 4.46Å; L550-F617 HydrophobicContact CD2-CE2 3.82Å; L550-F617 HydrophobicContact CD2-CG 4.23Å; L550-F617 HydrophobicContact CD2-CZ 4.13Å; L550-F617 HydrophobicContact CG-CE1 4.49Å; I609-F617 HydrophobicContact CG2-CE2 4.24Å; I609-F617 HydrophobicContact CG2-CZ 4.43Å; H610-F617 HydrophobicContact CB-CD2 4.25Å; H610-F617 HydrophobicContact CB-CE2 4.21Å; H610-F617 AromaticContact CD2-CD2 3.89Å
618	D	89.5	Confident	85.2	Confident	83 Å²	83	63.7 Å²	63.7	44%	0.444	35%	0.345	S	S	.	.	S	Bend	trans	-79.2	-27.6	177.9	-58	-71.9	0	0	0	111.3	R547 S548 Y640	R547-D618 WeakPolarHBondContact CA-OD2 3.27Å; S548-D618 PolarHBondContact N-OD2 2.94Å; S548-D618 PolarHBondContact O-N 2.93Å; D618-Y640 WeakPolarHBondContact CB-OH 3.32Å
619	A	88.4	Confident	85	Confident	16 Å²	16	59.7 Å²	59.7	13%	0.132	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	156.1	175.4	0	0	0	0	0	112.4	I549 L550 L636	I549-A619 HydrophobicContact CG2-CB 4.48Å; L550-A619 PolarHBondContact N-O 3.23Å; A619-L636 HydrophobicContact CB-CD1 3.35Å
620	V	88.2	Confident	84.7	Confident	65 Å²	65	60.3 Å²	60.3	39%	0.394	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.3	174.9	-173.2	0	0	0	0	108.8	L550	L550-V620 HydrophobicContact CB-CG1 4.44Å; L550-V620 HydrophobicContact CB-CG2 4.22Å; L550-V620 HydrophobicContact CD2-CG1 4.28Å; L550-V620 HydrophobicContact CD2-CG2 4.21Å; L550-V620 HydrophobicContact CG-CG1 4.31Å; L550-V620 CarbonylContact O-C 3.54Å; L550-V620 VanDerWaalsContact O-CA 3.27Å; L550-V620 WeakPolarHBondContact O-CA 3.45Å
621	L	89.6	Confident	84.6	Confident	16 Å²	16	62.2 Å²	62.2	8%	0.084	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146.6	-177.3	-55.5	-179.8	0	0	0	110.9	I549 L550 C551 L552 L629 Q632 L633	I549-L621 HydrophobicContact CG2-CD1 3.79Å; I549-L621 HydrophobicContact CG2-CG 4Å; L550-L621 PolarHBondContact O-N 3.45Å; C551-L621 WeakPolarHBondContact CA-O 3.46Å; L552-L621 PolarHBondContact N-O 2.92Å; L621-L629 HydrophobicContact CB-CD1 4.26Å; L621-L629 HydrophobicContact CB-CG 4.33Å; L621-L629 HydrophobicContact CD1-CG 4.48Å; L621-Q632 HydrophobicContact CD1-CB 4.47Å; L621-Q632 HydrophobicContact CD2-CB 4.03Å; L621-L633 HydrophobicContact CD1-CB 3.93Å; L621-L633 HydrophobicContact CD1-CD1 4.1Å
622	S	86.3	Confident	84.5	Confident	30 Å²	30	56.9 Å²	56.9	21%	0.21	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.9	173.7	178.1	0	0	0	0	111	L552 N554 D624 L629	L552-S622 CarbonylContact O-C 3.28Å; L552-S622 WeakPolarHBondContact O-CA 3.49Å; N554-S622 WeakPolarHBondContact ND2-CB 3.45Å; N554-S622 PolarHBondContact ND2-OG 2.79Å; S622-D624 PolarHBondContact OG-N 2.91Å; S622-L629 WeakPolarHBondContact O-CB 3.37Å; S622-L629 VanDerWaalsContact O-CD1 3.24Å; S622-L629 WeakPolarHBondContact O-CD1 3.16Å
623	S	82.2	Confident	84.4	Confident	17 Å²	17	52 Å²	52	12%	0.119	29%	0.294	C	S	.	.			trans	-96.3	5.1	-179.9	63.3	0	0	0	0	116.1	I406 L552 P553	I406-S623 WeakPolarHBondContact CD1-OG 3.33Å; I406-S623 WeakPolarHBondContact CG1-OG 3.38Å; L552-S623 PolarHBondContact O-N 3.1Å; L552-S623 PolarHBondContact O-OG 3.39Å; L552-S623 VanDerWaalsContact O-OG 3.06Å; P553-S623 WeakPolarHBondContact CA-OG 3.4Å
624	D	76.7	Confident	84.4	Confident	61 Å²	61	49.3 Å²	49.3	33%	0.326	28%	0.28	S	S	.	.	S	Bend	trans	-68.2	-37.3	-176	-66.2	-21.4	0	0	0	112	P553 N554 N555 S622	P553-D624 WeakPolarHBondContact CA-OD1 3.42Å; N554-D624 WeakPolarHBondContact CA-OD2 3.12Å; N554-D624 WeakPolarHBondContact CB-OD2 3.03Å; N554-D624 PolarHBondContact N-OD1 2.86Å; N554-D624 PolarHBondContact N-OD2 3Å; N555-D624 PolarHBondContact N-OD1 2.95Å; N555-D624 PolarHBondContact N-OD2 3.13Å; S622-D624 PolarHBondContact OG-N 2.91Å
625	D	80.2	Confident	84.4	Confident	72 Å²	72	47.8 Å²	47.8	39%	0.385	27%	0.265	S	S	.	.			trans	-112.7	113	173	-171	-21.9	0	0	0	110.4	Q627 E628 L629	D625-Q627 VanDerWaalsContact C-N 3.28Å; D625-Q627 PolarHBondContact O-N 3Å; D625-Q627 WeakPolarHBondContact OD1-CB 3.06Å; D625-Q627 PolarHBondContact OD1-N 3.42Å; D625-E628 HydrophobicContact CB-CB 3.93Å; D625-E628 PolarHBondContact O-N 2.91Å; D625-E628 PolarHBondContact OD1-N 2.96Å; D625-L629 VanDerWaalsContact O-CB 3.31Å; D625-L629 WeakPolarHBondContact O-CB 2.9Å; D625-L629 PolarHBondContact O-N 3.37Å
626	T	74.8	Confident	84.4	Confident	68 Å²	68	46.8 Å²	46.8	42%	0.417	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-31	179.3	50.7	0	0	0	0	113.6	N407 F630	N407-T626 HydrophobicContact CB-CG2 4.46Å; T626-F630 WeakPolarHBondContact O-CB 3.34Å; T626-F630 PolarHBondContact O-N 3.47Å; T626-F630 VanDerWaalsContact O-N 3.16Å
627	Q	79.8	Confident	84.4	Confident	94 Å²	94	46.6 Å²	46.6	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-75	-46.2	-179.9	-65.9	-174	-4.6	0	0	110.4	D625 F630 Q631	D625-Q627 VanDerWaalsContact C-N 3.28Å; D625-Q627 PolarHBondContact O-N 3Å; D625-Q627 WeakPolarHBondContact OD1-CB 3.06Å; D625-Q627 PolarHBondContact OD1-N 3.42Å; Q627-F630 PolarHBondContact O-N 2.77Å; Q627-Q631 PolarHBondContact O-N 3.09Å
628	E	83.1	Confident	84	Confident	99 Å²	99	47 Å²	47	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-61.7	-47.2	176.3	-170.3	-175.5	175.3	0	0	111	D625 F630 Q631 Q632	D625-E628 HydrophobicContact CB-CB 3.93Å; D625-E628 PolarHBondContact O-N 2.91Å; D625-E628 PolarHBondContact OD1-N 2.96Å; E628-F630 PolarHBondContact O-N 3.3Å; E628-Q631 PolarHBondContact O-N 2.85Å; E628-Q632 HydrophobicContact CG-CG 4.44Å; E628-Q632 WeakPolarHBondContact O-CG 3.24Å; E628-Q632 PolarHBondContact O-N 2.93Å; E628-Q632 PolarHBondContact OE1-NE2 2.86Å
629	L	84.2	Confident	83.7	Confident	4 Å²	4	49 Å²	49	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-41.6	177.7	-177.4	149.4	0	0	0	111.1	L411 C551 L621 S622 D625 L633	L411-L629 HydrophobicContact CD1-CD2 3.17Å; L411-L629 HydrophobicContact CD2-CD2 3.35Å; L411-L629 HydrophobicContact CG-CD2 3.87Å; C551-L629 HydrophobicContact CB-CD1 4.05Å; L621-L629 HydrophobicContact CB-CD1 4.26Å; L621-L629 HydrophobicContact CB-CG 4.33Å; L621-L629 HydrophobicContact CD1-CG 4.48Å; S622-L629 WeakPolarHBondContact O-CB 3.37Å; S622-L629 VanDerWaalsContact O-CD1 3.24Å; S622-L629 WeakPolarHBondContact O-CD1 3.16Å; D625-L629 VanDerWaalsContact O-CB 3.31Å; D625-L629 WeakPolarHBondContact O-CB 2.9Å; D625-L629 PolarHBondContact O-N 3.37Å; L629-L633 HydrophobicContact CD2-CD2 4.38Å; L629-L633 WeakPolarHBondContact O-CB 3.2Å; L629-L633 PolarHBondContact O-N 2.89Å
630	F	81.5	Confident	83.4	Confident	27 Å²	27	51.1 Å²	51.1	12%	0.118	26%	0.263	C	S	.	.	H	α-helix	trans	-64.1	-46.2	177.9	175.2	-95.7	0	0	0	112.1	L411 F414 L415 Q418 T626 Q627 E628 Q632 L633 L634	L411-F630 HydrophobicContact CD2-CB 4.45Å; F414-F630 HydrophobicContact CB-CD2 4.17Å; F414-F630 HydrophobicContact CB-CE2 3.69Å; L415-F630 HydrophobicContact CD2-CE2 4.2Å; Q418-F630 HydrophobicContact CG-CZ 4.23Å; T626-F630 WeakPolarHBondContact O-CB 3.34Å; T626-F630 PolarHBondContact O-N 3.47Å; T626-F630 VanDerWaalsContact O-N 3.16Å; Q627-F630 PolarHBondContact O-N 2.77Å; E628-F630 PolarHBondContact O-N 3.3Å; F630-Q632 PolarHBondContact O-N 3.38Å; F630-L633 PolarHBondContact O-N 2.79Å; F630-L634 HydrophobicContact CE1-CD2 4.18Å; F630-L634 HydrophobicContact CZ-CD2 4.37Å; F630-L634 WeakPolarHBondContact O-CB 3.3Å; F630-L634 PolarHBondContact O-N 2.78Å
631	Q	84.6	Confident	82.9	Confident	116 Å²	116	51 Å²	51	54%	0.542	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-45.3	178.4	-72.9	-179.6	-8.4	0	0	111.6	Q627 E628 L633 L634 L635	Q627-Q631 PolarHBondContact O-N 3.09Å; E628-Q631 PolarHBondContact O-N 2.85Å; Q631-L633 PolarHBondContact O-N 3.13Å; Q631-L634 PolarHBondContact O-N 2.81Å; Q631-L635 WeakPolarHBondContact O-CB 3.39Å; Q631-L635 VanDerWaalsContact O-CG 3.32Å; Q631-L635 WeakPolarHBondContact O-CG 3.31Å; Q631-L635 PolarHBondContact O-N 3.19Å
632	Q	85.7	Confident	82.2	Confident	69 Å²	69	53.2 Å²	53.2	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-43.4	176.8	-69.7	-179.3	1	0	0	111.6	L621 E628 F630 L635 L636	L621-Q632 HydrophobicContact CD1-CB 4.47Å; L621-Q632 HydrophobicContact CD2-CB 4.03Å; E628-Q632 HydrophobicContact CG-CG 4.44Å; E628-Q632 WeakPolarHBondContact O-CG 3.24Å; E628-Q632 PolarHBondContact O-N 2.93Å; E628-Q632 PolarHBondContact OE1-NE2 2.86Å; F630-Q632 PolarHBondContact O-N 3.38Å; Q632-L635 PolarHBondContact O-N 2.93Å; Q632-L636 VanDerWaalsContact O-CB 3.3Å; Q632-L636 WeakPolarHBondContact O-CB 3.48Å; Q632-L636 PolarHBondContact O-N 3.48Å
633	L	86.1	Confident	81.6	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-43.8	178.2	-177.5	60.6	0	0	0	111.9	I400 L411 L415 I549 L621 L629 F630 Q631 L636 I637	I400-L633 HydrophobicContact CD1-CD2 4.09Å; L411-L633 HydrophobicContact CB-CD2 4.39Å; L411-L633 HydrophobicContact CD1-CD2 4.47Å; L415-L633 HydrophobicContact CD1-CD2 3.57Å; L415-L633 HydrophobicContact CD1-CG 3.94Å; L415-L633 HydrophobicContact CD2-CD2 4.48Å; L415-L633 HydrophobicContact CD2-CG 4.37Å; L415-L633 HydrophobicContact CG-CD2 4.23Å; I549-L633 HydrophobicContact CD1-CD1 3.3Å; I549-L633 HydrophobicContact CG1-CD1 4.49Å; I549-L633 HydrophobicContact CG2-CD1 4.16Å; L621-L633 HydrophobicContact CD1-CB 3.93Å; L621-L633 HydrophobicContact CD1-CD1 4.1Å; L629-L633 HydrophobicContact CD2-CD2 4.38Å; L629-L633 WeakPolarHBondContact O-CB 3.2Å; L629-L633 PolarHBondContact O-N 2.89Å; F630-L633 PolarHBondContact O-N 2.79Å; Q631-L633 PolarHBondContact O-N 3.13Å; L633-L636 PolarHBondContact O-N 3.16Å; L633-I637 HydrophobicContact CD1-CD1 4.01Å; L633-I637 HydrophobicContact CD1-CG1 4.49Å; L633-I637 HydrophobicContact CG-CD1 3.95Å; L633-I637 WeakPolarHBondContact O-CD1 3.3Å; L633-I637 VanDerWaalsContact O-CG1 3.24Å; L633-I637 WeakPolarHBondContact O-CG1 3.36Å; L633-I637 PolarHBondContact O-N 2.94Å
634	L	85	Confident	80.3	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-47.9	177.7	-177.8	65.9	0	0	0	111.2	L415 L419 F630 Q631 L636 I637 L638 L649	L415-L634 HydrophobicContact CD2-CD1 4.44Å; L419-L634 HydrophobicContact CD1-CD1 4.08Å; L419-L634 HydrophobicContact CG-CD1 4.39Å; F630-L634 HydrophobicContact CE1-CD2 4.18Å; F630-L634 HydrophobicContact CZ-CD2 4.37Å; F630-L634 WeakPolarHBondContact O-CB 3.3Å; F630-L634 PolarHBondContact O-N 2.78Å; Q631-L634 PolarHBondContact O-N 2.81Å; L634-L636 VanDerWaalsContact C-N 3.29Å; L634-L636 PolarHBondContact O-N 2.96Å; L634-I637 PolarHBondContact O-N 3.03Å; L634-L638 HydrophobicContact CD1-CD1 4.48Å; L634-L638 HydrophobicContact CD1-CG 4.47Å; L634-L638 HydrophobicContact CG-CD1 4.11Å; L634-L638 HydrophobicContact CG-CG 4.5Å; L634-L638 VanDerWaalsContact O-CG 3.3Å; L634-L638 WeakPolarHBondContact O-CG 2.88Å; L634-L638 PolarHBondContact O-N 2.83Å; L634-L649 HydrophobicContact CD2-CD2 4.18Å
635	L	84.6	Confident	79.1	Confident	85 Å²	85	59.5 Å²	59.5	45%	0.445	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-43.7	177.5	-76.1	167.3	0	0	0	111.8	Q631 Q632 L638 D639 L649	Q631-L635 WeakPolarHBondContact O-CB 3.39Å; Q631-L635 VanDerWaalsContact O-CG 3.32Å; Q631-L635 WeakPolarHBondContact O-CG 3.31Å; Q631-L635 PolarHBondContact O-N 3.19Å; Q632-L635 PolarHBondContact O-N 2.93Å; L635-L638 PolarHBondContact O-N 3.41Å; L635-D639 PolarHBondContact O-N 3.22Å; L635-L649 HydrophobicContact CD2-CD1 4.08Å; L635-L649 HydrophobicContact CD2-CD2 4.21Å
636	L	85.4	Confident	77.4	Confident	36 Å²	36	60.1 Å²	60.1	19%	0.188	34%	0.339	C	S	.	.	H	α-helix	trans	-67.6	-37.2	179.7	-176.9	138.4	0	0	0	112.6	I549 A619 Q632 L633 L634 Y640	I549-L636 HydrophobicContact CD1-CD2 3.44Å; I549-L636 VanDerWaalsContact CD1-CD2 3.44Å; I549-L636 HydrophobicContact CG1-CD2 4.1Å; A619-L636 HydrophobicContact CB-CD1 3.35Å; Q632-L636 VanDerWaalsContact O-CB 3.3Å; Q632-L636 WeakPolarHBondContact O-CB 3.48Å; Q632-L636 PolarHBondContact O-N 3.48Å; L633-L636 PolarHBondContact O-N 3.16Å; L634-L636 VanDerWaalsContact C-N 3.29Å; L634-L636 PolarHBondContact O-N 2.96Å; L636-Y640 HydrophobicContact CD2-CD2 3.93Å; L636-Y640 HydrophobicContact CD2-CE1 4.19Å; L636-Y640 HydrophobicContact CD2-CE2 3.23Å; L636-Y640 WeakPolarHBondContact CD2-OH 3.37Å; L636-Y640 HydrophobicContact CG-CE1 4.25Å; L636-Y640 HydrophobicContact CG-CE2 4.15Å; L636-Y640 WeakPolarHBondContact O-CD1 3.12Å; L636-Y640 VanDerWaalsContact O-CG 3.23Å; L636-Y640 PolarHBondContact O-N 3.33Å
637	I	84.8	Confident	75.9	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-70.3	-39.3	174.9	-67.5	163.8	0	0	0	111.2	L398 L415 L419 F423 L633 L634 D639 Y640 L641	L398-I637 HydrophobicContact CD2-CD1 3.57Å; L398-I637 HydrophobicContact CD2-CG1 3.86Å; L415-I637 HydrophobicContact CD1-CD1 3.52Å; L415-I637 HydrophobicContact CD2-CD1 3.58Å; L415-I637 HydrophobicContact CG-CD1 4.18Å; L419-I637 HydrophobicContact CD1-CG2 3.63Å; F423-I637 HydrophobicContact CD2-CG2 4.48Å; F423-I637 HydrophobicContact CE2-CG2 3.49Å; F423-I637 VanDerWaalsContact CE2-CG2 3.49Å; F423-I637 HydrophobicContact CZ-CG2 3.92Å; L633-I637 HydrophobicContact CD1-CD1 4.01Å; L633-I637 HydrophobicContact CD1-CG1 4.49Å; L633-I637 HydrophobicContact CG-CD1 3.95Å; L633-I637 WeakPolarHBondContact O-CD1 3.3Å; L633-I637 VanDerWaalsContact O-CG1 3.24Å; L633-I637 WeakPolarHBondContact O-CG1 3.36Å; L633-I637 PolarHBondContact O-N 2.94Å; L634-I637 PolarHBondContact O-N 3.03Å; I637-D639 VanDerWaalsContact C-N 3.31Å; I637-D639 PolarHBondContact O-N 3.37Å; I637-Y640 WeakPolarHBondContact O-CB 3.46Å; I637-Y640 PolarHBondContact O-N 3.37Å; I637-L641 HydrophobicContact CG2-CD1 4.25Å; I637-L641 HydrophobicContact CG2-CG 4.49Å; I637-L641 WeakPolarHBondContact O-CG 3.15Å; I637-L641 PolarHBondContact O-N 2.91Å
638	L	83.8	Confident	74.3	Confident	22 Å²	22	65 Å²	65	12%	0.115	37%	0.366	C	S	.	.	H	α-helix	trans	-62.6	-40.4	175.7	-71.5	172.6	0	0	0	111.4	L419 L634 L635 Y640 L641 G642 I643 L649	L419-L638 HydrophobicContact CD2-CD2 4.29Å; L634-L638 HydrophobicContact CD1-CD1 4.48Å; L634-L638 HydrophobicContact CD1-CG 4.47Å; L634-L638 HydrophobicContact CG-CD1 4.11Å; L634-L638 HydrophobicContact CG-CG 4.5Å; L634-L638 VanDerWaalsContact O-CG 3.3Å; L634-L638 WeakPolarHBondContact O-CG 2.88Å; L634-L638 PolarHBondContact O-N 2.83Å; L635-L638 PolarHBondContact O-N 3.41Å; L638-Y640 VanDerWaalsContact C-N 3.34Å; L638-L641 CarbonylContact O-C 3.57Å; L638-L641 PolarHBondContact O-N 3.3Å; L638-G642 PolarHBondContact O-N 2.9Å; L638-I643 HydrophobicContact CD2-CB 4.22Å; L638-I643 HydrophobicContact CD2-CD1 4.15Å; L638-I643 HydrophobicContact CD2-CG2 4.4Å; L638-I643 PolarHBondContact O-N 3.34Å; L638-L649 HydrophobicContact CD1-CD1 4.02Å; L638-L649 HydrophobicContact CD1-CG 4.48Å
639	D	83.5	Confident	72.4	Confident	124 Å²	124	63 Å²	63	66%	0.663	36%	0.358	S	S	*	.	H	α-helix	trans	-61.7	-42.7	172.6	-171.3	41.1	0	0	0	111.4	L635 I637 L641 G642	L635-D639 PolarHBondContact O-N 3.22Å; I637-D639 VanDerWaalsContact C-N 3.31Å; I637-D639 PolarHBondContact O-N 3.37Å; D639-L641 VanDerWaalsContact C-N 3.27Å; D639-L641 PolarHBondContact O-N 3.22Å; D639-G642 PolarHBondContact O-N 3.27Å
640	Y	80.6	Confident	70.4	Confident	62 Å²	62	67.6 Å²	67.6	24%	0.243	39%	0.391	C	S	.	.	H	α-helix	trans	-61.5	-32.1	174.1	-73.8	-6.4	0	0	0	114.7	D618 L636 I637 L638 G642	D618-Y640 WeakPolarHBondContact CB-OH 3.32Å; L636-Y640 HydrophobicContact CD2-CD2 3.93Å; L636-Y640 HydrophobicContact CD2-CE1 4.19Å; L636-Y640 HydrophobicContact CD2-CE2 3.23Å; L636-Y640 WeakPolarHBondContact CD2-OH 3.37Å; L636-Y640 HydrophobicContact CG-CE1 4.25Å; L636-Y640 HydrophobicContact CG-CE2 4.15Å; L636-Y640 WeakPolarHBondContact O-CD1 3.12Å; L636-Y640 VanDerWaalsContact O-CG 3.23Å; L636-Y640 PolarHBondContact O-N 3.33Å; I637-Y640 WeakPolarHBondContact O-CB 3.46Å; I637-Y640 PolarHBondContact O-N 3.37Å; L638-Y640 VanDerWaalsContact C-N 3.34Å; Y640-G642 VanDerWaalsContact C-N 3.34Å
641	L	78.2	Confident	68.4	Low	62 Å²	62	73 Å²	73	33%	0.325	42%	0.421	S	S	.	.	H	α-helix	trans	-83.4	-11.6	174.9	-66.5	175.5	0	0	0	112.5	Y422 F423 I637 L638 D639 I643	Y422-L641 HydrophobicContact CD1-CD1 4.44Å; Y422-L641 HydrophobicContact CD1-CD2 4.24Å; Y422-L641 HydrophobicContact CD2-CD1 4.07Å; Y422-L641 HydrophobicContact CE2-CD1 4.44Å; Y422-L641 HydrophobicContact CG-CD1 4.06Å; Y422-L641 HydrophobicContact CG-CD2 4.47Å; F423-L641 HydrophobicContact CE2-CD1 4.12Å; F423-L641 HydrophobicContact CE2-CD2 4.43Å; F423-L641 HydrophobicContact CZ-CD2 4.49Å; I637-L641 HydrophobicContact CG2-CD1 4.25Å; I637-L641 HydrophobicContact CG2-CG 4.49Å; I637-L641 WeakPolarHBondContact O-CG 3.15Å; I637-L641 PolarHBondContact O-N 2.91Å; L638-L641 CarbonylContact O-C 3.57Å; L638-L641 PolarHBondContact O-N 3.3Å; D639-L641 VanDerWaalsContact C-N 3.27Å; D639-L641 PolarHBondContact O-N 3.22Å; L641-I643 VanDerWaalsContact C-N 3.33Å; L641-I643 HydrophobicContact CB-CD1 3.88Å; L641-I643 HydrophobicContact CB-CG1 3.94Å; L641-I643 HydrophobicContact CD1-CD1 3.94Å
642	G	76	Confident	66.4	Low	63 Å²	63	71.5 Å²	71.5	65%	0.649	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	22.3	-176	0	0	0	0	0	114.2	L638 D639 Y640 S644	L638-G642 PolarHBondContact O-N 2.9Å; D639-G642 PolarHBondContact O-N 3.27Å; Y640-G642 VanDerWaalsContact C-N 3.34Å; G642-S644 PolarHBondContact O-N 3.45Å
643	I	73.1	Confident	63.9	Low	67 Å²	67	75.7 Å²	75.7	34%	0.344	44%	0.435	S	S	.	.			trans	-87.7	110.3	-179.7	-58.7	171.2	0	0	0	108.1	Y422 L638 L641 S645	Y422-I643 HydrophobicContact CE2-CD1 4.15Å; L638-I643 HydrophobicContact CD2-CB 4.22Å; L638-I643 HydrophobicContact CD2-CD1 4.15Å; L638-I643 HydrophobicContact CD2-CG2 4.4Å; L638-I643 PolarHBondContact O-N 3.34Å; L641-I643 VanDerWaalsContact C-N 3.33Å; L641-I643 HydrophobicContact CB-CD1 3.88Å; L641-I643 HydrophobicContact CB-CG1 3.94Å; L641-I643 HydrophobicContact CD1-CD1 3.94Å; I643-S645 PolarHBondContact O-N 2.98Å
644	S	55.7	Low	61.6	Low	97 Å²	97	79.2 Å²	79.2	68%	0.678	45%	0.452	S	S	*	.			trans	-61.5	120.3	176.3	56.9	0	0	0	0	110.5	G642 S646	G642-S644 PolarHBondContact O-N 3.45Å; S644-S646 PolarHBondContact O-N 3.07Å
645	S	50.9	Low	59.2	Low	75 Å²	75	84.8 Å²	84.8	52%	0.524	48%	0.482	S	S	.	.			trans	-67	19.9	-174.4	48.2	0	0	0	0	115.8	I643 N647 L649	I643-S645 PolarHBondContact O-N 2.98Å; S645-N647 PolarHBondContact O-N 3.29Å; S645-L649 VanDerWaalsContact CB-CD1 3.49Å
646	S	44.6	Very low	57.1	Low	85 Å²	85	87.8 Å²	87.8	59%	0.594	50%	0.498	S	S	*	.	S	Bend	trans	-82	-12.5	-161.2	51.3	0	0	0	0	116.7	S644	S644-S646 PolarHBondContact O-N 3.07Å
647	N	43.7	Very low	54.8	Low	133 Å²	133	93 Å²	93	71%	0.711	53%	0.527	S	S	*	.	S	Bend	trans	-138.8	-26.9	179.2	-79.8	-37.2	0	0	0	117.7	S645	S645-N647 PolarHBondContact O-N 3.29Å
648	D	44.8	Very low	52.2	Low	131 Å²	131	94.2 Å²	94.2	70%	0.701	54%	0.539	S	S	*	.	S	Bend	trans	-95.2	-11.1	-168.2	-67.8	-31.4	0	0	0	116	S650	D648-S650 VanDerWaalsContact C-N 3.32Å; D648-S650 PolarHBondContact O-N 3.03Å
649	L	43.3	Very low	49.6	Very low	58 Å²	58	98.7 Å²	98.7	30%	0.304	56%	0.562	S	S	.	*	G	3₁₀ helix	trans	-70.9	-23.7	-178	-89.6	130.6	0	0	0	114.1	L634 L635 L638 S645 N651 M652	L634-L649 HydrophobicContact CD2-CD2 4.18Å; L635-L649 HydrophobicContact CD2-CD1 4.08Å; L635-L649 HydrophobicContact CD2-CD2 4.21Å; L638-L649 HydrophobicContact CD1-CD1 4.02Å; L638-L649 HydrophobicContact CD1-CG 4.48Å; S645-L649 VanDerWaalsContact CB-CD1 3.49Å; L649-N651 PolarHBondContact O-N 2.82Å; L649-M652 PolarHBondContact O-N 3.09Å
650	S	42.4	Very low	47.3	Very low	101 Å²	101	96 Å²	96	71%	0.706	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-66.5	-19.5	-175.9	62.7	0	0	0	0	114	D648	D648-S650 VanDerWaalsContact C-N 3.32Å; D648-S650 PolarHBondContact O-N 3.03Å
651	N	40.3	Very low	44.7	Very low	141 Å²	141	101.7 Å²	101.7	75%	0.754	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-92.7	0.5	178.5	-78.9	-25	0	0	0	114.3	L649	L649-N651 PolarHBondContact O-N 2.82Å
652	M	42	Very low	42.4	Very low	84 Å²	84	106.1 Å²	106.1	41%	0.414	60%	0.601	S	S	.	*			trans	-105.8	68.4	-172.2	-61	-150.5	166.7	0	0	112.2	Q418 L649	Q418-M652 PolarHBondContact OE1-SD 2.85Å; L649-M652 PolarHBondContact O-N 3.09Å
653	Q	34.2	Very low	40.1	Very low	157 Å²	157	114.4 Å²	114.4	73%	0.734	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-100.7	133.8	168.6	-79.8	-176.4	-8.7	0	0	111.1	T660	Q653-T660 VanDerWaalsContact O-CG2 3.3Å; Q653-T660 WeakPolarHBondContact O-CG2 3.26Å
654	M	36.4	Very low	37.9	Very low	73 Å²	73	116.4 Å²	116.4	36%	0.36	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-80.9	127.5	167.8	-80.9	-81.3	-75	0	0	109.8	F414	F414-M654 HydrophobicContact CD1-CE 4.41Å; F414-M654 HydrophobicContact CD1-SD 4.16Å; F414-M654 HydrophobicContact CE1-CE 3.59Å; F414-M654 HydrophobicContact CE1-SD 3.6Å; F414-M654 VanDerWaalsContact CE1-SD 3.6Å; F414-M654 HydrophobicContact CE2-CE 4.1Å; F414-M654 HydrophobicContact CZ-CE 3.43Å; F414-M654 VanDerWaalsContact CZ-CE 3.43Å; F414-M654 HydrophobicContact CZ-SD 4.11Å
655	N	36.1	Very low	36.5	Very low	123 Å²	123	115.8 Å²	115.8	66%	0.658	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-82.3	151.9	156.4	-84.6	-19	0	0	0	109	N657 G658	N655-N657 PolarHBondContact O-N 3.46Å; N655-G658 PolarHBondContact O-N 3.11Å
656	D	39.8	Very low	35.6	Very low	148 Å²	148	122 Å²	122	79%	0.791	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54	-7.2	-173.9	-71.3	-28.7	0	0	0	116.2
657	N	35.9	Very low	35.1	Very low	147 Å²	147	123.9 Å²	123.9	79%	0.786	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	10.4	177.4	-71.1	-24.7	0	0	0	115.3	N655 I659	N655-N657 PolarHBondContact O-N 3.46Å; N657-I659 PolarHBondContact O-N 3.43Å
658	G	31.8	Very low	34.7	Very low	25 Å²	25	123.4 Å²	123.4	26%	0.258	67%	0.674	S	S	.	*	S	Bend	trans	66.2	24.3	164.3	0	0	0	0	0	117.2	N655	N655-G658 PolarHBondContact O-N 3.11Å
659	I	29.2	Very low	34.1	Very low	117 Å²	117	122.9 Å²	122.9	60%	0.6	67%	0.672	S	S	*	*			trans	-132.1	105.8	173.9	-55	173.4	0	0	0	108.2	N657	N657-I659 PolarHBondContact O-N 3.43Å
660	T	34.4	Very low	33.6	Very low	67 Å²	67	126.8 Å²	126.8	41%	0.411	69%	0.694	S	S	.	*			trans	-89	112.9	157.4	45.5	0	0	0	0	107.6	Q653 I662	Q653-T660 VanDerWaalsContact O-CG2 3.3Å; Q653-T660 WeakPolarHBondContact O-CG2 3.26Å; T660-I662 PolarHBondContact O-N 3.42Å; T660-I662 VanDerWaalsContact O-N 3.09Å
661	E	26.9	Very low	33	Very low	182 Å²	182	128.4 Å²	128.4	85%	0.85	69%	0.693	S	S	*	*			trans	-53.9	114	157.2	-77.6	178	158.2	0	0	107.3	R663	E661-R663 PolarHBondContact O-N 3.4Å
662	I	30	Very low	32.5	Very low	155 Å²	155	127.5 Å²	127.5	80%	0.795	69%	0.689	S	S	*	*			trans	-59.9	106.3	171.1	-63.3	169.9	0	0	0	105.7	T660 S664	T660-I662 PolarHBondContact O-N 3.42Å; T660-I662 VanDerWaalsContact O-N 3.09Å; I662-S664 VanDerWaalsContact C-N 3.34Å; I662-S664 PolarHBondContact O-N 3.02Å
663	R	26.8	Very low	31.8	Very low	237 Å²	237	130.6 Å²	130.6	89%	0.894	71%	0.709	S	S	*	*			trans	-61.9	106.2	161.4	-76.6	-175	177.8	-179.3	0.6	105.4	E661 A665	E661-R663 PolarHBondContact O-N 3.4Å; R663-A665 PolarHBondContact O-N 3.33Å
664	S	26.6	Very low	31.7	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	71%	0.707	S	S	*	*			trans	-42.2	107.7	168.5	49.1	0	0	0	0	109.2	I662	I662-S664 VanDerWaalsContact C-N 3.34Å; I662-S664 PolarHBondContact O-N 3.02Å
665	A	26.1	Very low	31.3	Very low	84 Å²	84	133.3 Å²	133.3	69%	0.694	74%	0.736	S	S	*	*			trans	-68.6	149.5	157.5	0	0	0	0	0	107.7	R663	R663-A665 PolarHBondContact O-N 3.33Å
666	P	31.8	Very low	30.8	Very low	205 Å²	205	134.2 Å²	134.2	100%	1.331	74%	0.743	S	S	*	*			trans	-65.4	0	-169.4	0.6	10.1	0	0	0	114.2

Retrieved 666 of 666 residues in 1048.9 ms (Link to these results)

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