A0A087Y5M0_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A087Y5M0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 729 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	43.5	Very low	70.9	Confident	215 Å²	215	120.6 Å²	120.6	100%	1.059	55%	0.554	S	S	*	*				0	103.1	0	-79.7	-179.6	-173.2	0	0	106.5
2	D	48.7	Very low	70.8	Confident	133 Å²	133	115.3 Å²	115.3	71%	0.711	53%	0.533	S	S	*	.			trans	-88.2	122.2	-179	-58.5	-31.1	0	0	0	109.5	R150	D2-R150 PolarHBondContact O-NH1 3.2Å; D2-R150 PolarHBondContact O-NH2 2.67Å
3	R	69.6	Low	70.3	Confident	208 Å²	208	108.5 Å²	108.5	79%	0.785	51%	0.508	S	S	*	.			trans	-73	141.9	174.7	-66.1	-178	175	-173.4	-2.1	109.5	K5 N85	R3-K5 PolarHBondContact O-N 3.18Å; R3-N85 HydrophobicContact CB-CB 4.24Å; R3-N85 HydrophobicContact CG-CB 4.19Å
4	C	79.4	Confident	69.4	Low	13 Å²	13	109.8 Å²	109.8	9%	0.088	53%	0.531	C	S	.	.			trans	-68.5	115	176.4	-179.7	0	0	0	0	110	H6 V7 V83 N85	C4-H6 VanDerWaalsContact C-N 3.29Å; C4-H6 PolarHBondContact O-N 3.26Å; C4-V7 HydrophobicContact CB-CG2 3.82Å; C4-V83 HydrophobicContact CB-CG2 4.03Å; C4-N85 WeakPolarHBondContact CB-OD1 3.48Å; C4-N85 PolarHBondContact N-OD1 3.45Å; C4-N85 PolarHBondContact O-ND2 2.8Å; C4-N85 VanDerWaalsContact O-ND2 3.11Å
5	K	81.8	Confident	68.7	Low	183 Å²	183	111.4 Å²	111.4	80%	0.796	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-70.6	-24.6	179.8	-61.7	-178.7	-177.4	178.5	0	112.7	R3 V7 G8	R3-K5 PolarHBondContact O-N 3.18Å; K5-V7 VanDerWaalsContact C-N 3.27Å; K5-V7 PolarHBondContact O-N 2.88Å; K5-G8 PolarHBondContact O-N 3.24Å
6	H	83.4	Confident	68.5	Low	57 Å²	57	105.7 Å²	105.7	26%	0.264	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-69.5	-25.4	-179.3	-53.8	113	0	0	0	112.8	C4 G8 R9 L10 C76 C79	C4-H6 VanDerWaalsContact C-N 3.29Å; C4-H6 PolarHBondContact O-N 3.26Å; H6-G8 VanDerWaalsContact C-N 3.29Å; H6-G8 PolarHBondContact O-N 2.9Å; H6-R9 PolarHBondContact O-N 3.4Å; H6-R9 VanDerWaalsContact O-N 3.15Å; H6-L10 PolarHBondContact O-N 2.83Å; H6-C76 PolarHBondContact ND1-SG 3.43Å; H6-C79 VanDerWaalsContact CE1-SG 3.5Å; H6-C79 PolarHBondContact ND1-SG 2.89Å
7	V	80.1	Confident	68.3	Low	0 Å²	0	100 Å²	100	0%	0	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-64.9	-35.1	175.2	175.2	0	0	0	0	111.7	C4 K5 R9 L10 L65 V83 N87 L92	C4-V7 HydrophobicContact CB-CG2 3.82Å; K5-V7 VanDerWaalsContact C-N 3.27Å; K5-V7 PolarHBondContact O-N 2.88Å; V7-R9 PolarHBondContact O-N 3.11Å; V7-L10 WeakPolarHBondContact O-CB 3.46Å; V7-L10 PolarHBondContact O-N 2.97Å; V7-L10 VanDerWaalsContact O-N 3.14Å; V7-L65 HydrophobicContact CG2-CD1 4.48Å; V7-L65 HydrophobicContact CG2-CD2 4.24Å; V7-V83 HydrophobicContact CG2-CB 4.16Å; V7-V83 HydrophobicContact CG2-CG1 3.28Å; V7-V83 HydrophobicContact CG2-CG2 3.76Å; V7-N87 HydrophobicContact CG1-CB 3.72Å; V7-N87 WeakPolarHBondContact O-CB 3.36Å; V7-L92 HydrophobicContact CG1-CD1 3.52Å; V7-L92 HydrophobicContact CG2-CD1 4.48Å
8	G	73.6	Confident	68.3	Low	62 Å²	62	94.4 Å²	94.4	64%	0.639	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-67.7	-13.9	176.2	0	0	0	0	0	113.9	K5 H6	K5-G8 PolarHBondContact O-N 3.24Å; H6-G8 VanDerWaalsContact C-N 3.29Å; H6-G8 PolarHBondContact O-N 2.9Å
9	R	72.9	Confident	68.6	Low	211 Å²	211	93.7 Å²	93.7	80%	0.796	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-105.4	7.7	176.3	-60.9	-177.1	-177.7	176.4	-0.9	112.6	H6 V7 R11	H6-R9 PolarHBondContact O-N 3.4Å; H6-R9 VanDerWaalsContact O-N 3.15Å; V7-R9 PolarHBondContact O-N 3.11Å; R9-R11 PolarHBondContact O-N 3.36Å
10	L	74.6	Confident	69.1	Low	20 Å²	20	91.9 Å²	91.9	11%	0.105	45%	0.452	C	S	.	.			trans	-63.2	123.9	-179.5	177.5	63.9	0	0	0	109.9	H6 V7 L12 L39 L65 L92	H6-L10 PolarHBondContact O-N 2.83Å; V7-L10 WeakPolarHBondContact O-CB 3.46Å; V7-L10 PolarHBondContact O-N 2.97Å; V7-L10 VanDerWaalsContact O-N 3.14Å; L10-L12 HydrophobicContact CD1-CD2 4.33Å; L10-L12 HydrophobicContact CD2-CD2 4.23Å; L10-L12 HydrophobicContact CG-CD2 4.43Å; L10-L39 HydrophobicContact CD1-CB 3.6Å; L10-L39 HydrophobicContact CD1-CD1 4.34Å; L10-L39 HydrophobicContact CD2-CD1 4.23Å; L10-L65 HydrophobicContact CB-CD1 4.16Å; L10-L65 HydrophobicContact CD1-CD1 3.91Å; L10-L65 HydrophobicContact CG-CD1 4.48Å; L10-L92 HydrophobicContact CD2-CD1 4.4Å; L10-L92 HydrophobicContact CD2-CD2 3.74Å; L10-L92 HydrophobicContact CD2-CG 3.76Å
11	R	72.1	Confident	69.5	Low	225 Å²	225	89.9 Å²	89.9	85%	0.849	45%	0.445	S	S	*	.			trans	-120.2	110.9	165.1	-65.9	-169.3	-178.4	-129.7	2.6	107.3	R9 A13	R9-R11 PolarHBondContact O-N 3.36Å; R11-A13 PolarHBondContact O-N 2.82Å
12	L	69.6	Low	71	Confident	57 Å²	57	85.2 Å²	85.2	30%	0.298	42%	0.421	S	S	.	.			trans	-66.7	130.2	175.4	-66.6	171.9	0	0	0	108.6	L10 L39 D91 L95	L10-L12 HydrophobicContact CD1-CD2 4.33Å; L10-L12 HydrophobicContact CD2-CD2 4.23Å; L10-L12 HydrophobicContact CG-CD2 4.43Å; L12-L39 HydrophobicContact CD2-CB 4.37Å; L12-L39 HydrophobicContact CD2-CD2 4.14Å; L12-D91 HydrophobicContact CD1-CB 3.83Å; L12-L95 HydrophobicContact CD2-CD2 4.13Å
13	A	64.9	Low	72.4	Confident	26 Å²	26	83.6 Å²	83.6	22%	0.215	41%	0.408	C	S	.	.			trans	-64.1	141.6	172.8	0	0	0	0	0	109.9	R11 D15	R11-A13 PolarHBondContact O-N 2.82Å; A13-D15 PolarHBondContact O-N 3.44Å
14	P	57.8	Low	73.2	Confident	127 Å²	127	75.8 Å²	75.8	83%	0.825	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-31.4	180	-23	32	0	0	0	113.5
15	D	59.3	Low	73.5	Confident	134 Å²	134	78.3 Å²	78.3	72%	0.717	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	42.4	-171.3	-47.6	-38.3	0	0	0	112.3	A13 S17 A42	A13-D15 PolarHBondContact O-N 3.44Å; D15-S17 PolarHBondContact O-N 3.3Å; D15-A42 WeakPolarHBondContact O-CB 3.26Å
16	H	65.5	Low	73.7	Confident	20 Å²	20	69.6 Å²	69.6	9%	0.093	35%	0.351	C	S	.	.			trans	-73.6	115	-170.3	-156.3	-32.2	0	0	0	112.5	I18 L19 C38 L39	H16-I18 HydrophobicContact CB-CG2 4.1Å; H16-I18 VanDerWaalsContact CE1-CB 3.48Å; H16-I18 WeakPolarHBondContact CE1-CB 3.42Å; H16-I18 WeakPolarHBondContact ND1-CB 3.46Å; H16-I18 VanDerWaalsContact ND1-CG2 3.34Å; H16-I18 WeakPolarHBondContact ND1-CG2 3.31Å; H16-I18 PolarHBondContact ND1-N 2.79Å; H16-I18 PolarHBondContact O-N 3.05Å; H16-L19 PolarHBondContact O-N 3.13Å; H16-C38 PolarHBondContact CE1-O 3.15Å; H16-C38 PolarHBondContact NE2-O 2.95Å; H16-L39 WeakPolarHBondContact NE2-CA 3.43Å
17	S	64.3	Low	73.9	Confident	9 Å²	9	71.3 Å²	71.3	6%	0.063	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-59.7	-8.7	177	-59.6	0	0	0	0	115.2	D15 L19 N20 K23 A42	D15-S17 PolarHBondContact O-N 3.3Å; S17-L19 VanDerWaalsContact C-N 3.27Å; S17-L19 PolarHBondContact O-N 2.92Å; S17-N20 PolarHBondContact O-N 3.01Å; S17-K23 WeakPolarHBondContact OG-CD 3.37Å; S17-A42 VanDerWaalsContact CB-O 3.27Å; S17-A42 WeakPolarHBondContact CB-O 3.43Å; S17-A42 PolarHBondContact OG-O 2.62Å
18	I	69.3	Low	74.2	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-65.8	-31.8	-177.5	-160.4	172.5	0	0	0	111.9	H16 N20 W24 A37 L39 M67 V69 L95 L99	H16-I18 HydrophobicContact CB-CG2 4.1Å; H16-I18 VanDerWaalsContact CE1-CB 3.48Å; H16-I18 WeakPolarHBondContact CE1-CB 3.42Å; H16-I18 WeakPolarHBondContact ND1-CB 3.46Å; H16-I18 VanDerWaalsContact ND1-CG2 3.34Å; H16-I18 WeakPolarHBondContact ND1-CG2 3.31Å; H16-I18 PolarHBondContact ND1-N 2.79Å; H16-I18 PolarHBondContact O-N 3.05Å; I18-N20 VanDerWaalsContact C-N 3.28Å; I18-N20 PolarHBondContact O-N 2.84Å; I18-W24 PolarHBondContact O-NE1 2.94Å; I18-A37 HydrophobicContact CB-CB 3.79Å; I18-A37 HydrophobicContact CD1-CB 3.75Å; I18-A37 HydrophobicContact CG1-CB 3.59Å; I18-L39 HydrophobicContact CD1-CD2 4.18Å; I18-M67 HydrophobicContact CD1-CB 3.9Å; I18-M67 HydrophobicContact CD1-CG 4.13Å; I18-M67 HydrophobicContact CD1-SD 3.81Å; I18-V69 HydrophobicContact CG1-CG1 4.06Å; I18-L95 HydrophobicContact CD1-CD2 4Å; I18-L95 HydrophobicContact CD1-CG 4.44Å; I18-L95 HydrophobicContact CG2-CD1 3.86Å; I18-L99 HydrophobicContact CD1-CD1 3.7Å; I18-L99 HydrophobicContact CG1-CD1 3.86Å; I18-L99 HydrophobicContact CG1-CD2 4.04Å; I18-L99 WeakPolarHBondContact O-CD2 3.14Å
19	L	72.7	Confident	74.7	Confident	81 Å²	81	75 Å²	75	42%	0.424	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-83.2	-1	179.8	-60.7	-179.9	0	0	0	113.4	H16 S17 P21 L95 T98 L99 I102	H16-L19 PolarHBondContact O-N 3.13Å; S17-L19 VanDerWaalsContact C-N 3.27Å; S17-L19 PolarHBondContact O-N 2.92Å; L19-P21 WeakPolarHBondContact O-CD 3.25Å; L19-L95 HydrophobicContact CD2-CD1 3.92Å; L19-L95 HydrophobicContact CG-CD1 4.48Å; L19-T98 HydrophobicContact CD2-CG2 3.72Å; L19-L99 HydrophobicContact CD2-CD2 4.09Å; L19-L99 HydrophobicContact CD2-CG 4.41Å; L19-I102 HydrophobicContact CB-CD1 4.31Å; L19-I102 HydrophobicContact CD2-CD1 3.95Å
20	N	78.3	Confident	75.2	Confident	57 Å²	57	70.3 Å²	70.3	31%	0.305	36%	0.364	S	S	.	.			trans	-112.7	102.4	179.4	-173.4	-12.9	0	0	0	110.9	S17 I18 Q22 K23	S17-N20 PolarHBondContact O-N 3.01Å; I18-N20 VanDerWaalsContact C-N 3.28Å; I18-N20 PolarHBondContact O-N 2.84Å; N20-Q22 PolarHBondContact O-N 3.37Å; N20-Q22 VanDerWaalsContact O-N 3.08Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.4Å; N20-Q22 PolarHBondContact OD1-N 3.18Å; N20-Q22 VanDerWaalsContact OD1-N 3.08Å; N20-K23 HydrophobicContact CB-CD 4.39Å; N20-K23 HydrophobicContact CB-CG 4.36Å; N20-K23 PolarHBondContact O-N 3.46Å
21	P	77.3	Confident	75.4	Confident	49 Å²	49	70.8 Å²	70.8	32%	0.318	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-55.8	-26.8	179.8	-28.1	36.2	0	0	0	114.9	L19 K23 W24 I102	L19-P21 WeakPolarHBondContact O-CD 3.25Å; P21-K23 PolarHBondContact O-N 3.08Å; P21-W24 HydrophobicContact CB-CD2 4.35Å; P21-W24 HydrophobicContact CG-CZ2 4.26Å; P21-W24 WeakPolarHBondContact O-CB 3.5Å; P21-W24 PolarHBondContact O-N 3.22Å; P21-I102 HydrophobicContact CG-CG2 3.42Å; P21-I102 VanDerWaalsContact CG-CG2 3.42Å
22	Q	75.9	Confident	75.8	Confident	118 Å²	118	64 Å²	64	55%	0.551	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-65.7	-18.4	177.7	-57.9	179.7	-4.3	0	0	112.5	N20 H25 V109	N20-Q22 PolarHBondContact O-N 3.37Å; N20-Q22 VanDerWaalsContact O-N 3.08Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.4Å; N20-Q22 PolarHBondContact OD1-N 3.18Å; N20-Q22 VanDerWaalsContact OD1-N 3.08Å; Q22-H25 PolarHBondContact O-CE1 3.31Å; Q22-H25 PolarHBondContact O-ND1 2.79Å; Q22-V109 HydrophobicContact CG-CG1 4.06Å; Q22-V109 HydrophobicContact CG-CG2 4.38Å
23	K	78.6	Confident	76	Confident	99 Å²	99	67.6 Å²	67.6	43%	0.43	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-101.7	10	179.8	-60.9	-173.3	177.1	-176.4	0	113.2	S17 N20 P21 H25	S17-K23 WeakPolarHBondContact OG-CD 3.37Å; N20-K23 HydrophobicContact CB-CD 4.39Å; N20-K23 HydrophobicContact CB-CG 4.36Å; N20-K23 PolarHBondContact O-N 3.46Å; P21-K23 PolarHBondContact O-N 3.08Å; K23-H25 PolarHBondContact O-N 3.2Å
24	W	85.8	Confident	76.7	Confident	43 Å²	43	68.5 Å²	68.5	16%	0.163	37%	0.371	C	S	.	.			trans	-81.7	60.4	179.2	-66.5	1.6	0	0	0	112.4	I18 P21 V69 L99 I102 Q103	I18-W24 PolarHBondContact O-NE1 2.94Å; P21-W24 HydrophobicContact CB-CD2 4.35Å; P21-W24 HydrophobicContact CG-CZ2 4.26Å; P21-W24 WeakPolarHBondContact O-CB 3.5Å; P21-W24 PolarHBondContact O-N 3.22Å; W24-V69 HydrophobicContact CB-CG2 4.38Å; W24-V69 HydrophobicContact CD2-CB 4.12Å; W24-V69 HydrophobicContact CD2-CG2 3.95Å; W24-V69 HydrophobicContact CE3-CG2 4.14Å; W24-V69 HydrophobicContact CG-CB 4.41Å; W24-V69 HydrophobicContact CG-CG2 4.07Å; W24-L99 HydrophobicContact CZ2-CD2 3.98Å; W24-I102 HydrophobicContact CH2-CG2 4.27Å; W24-I102 HydrophobicContact CZ2-CG2 4.31Å; W24-Q103 HydrophobicContact CH2-CG 3.92Å; W24-Q103 HydrophobicContact CZ3-CG 4.26Å
25	H	84.9	Confident	78.2	Confident	66 Å²	66	62.5 Å²	62.5	31%	0.306	33%	0.333	S	S	.	.	S	Bend	trans	-145.8	153.4	170.4	55.3	-82.5	0	0	0	108.7	Q22 K23 V27 N30 T31 T32 V44	Q22-H25 PolarHBondContact O-CE1 3.31Å; Q22-H25 PolarHBondContact O-ND1 2.79Å; K23-H25 PolarHBondContact O-N 3.2Å; H25-V27 PolarHBondContact O-N 3.45Å; H25-N30 PolarHBondContact CD2-OD1 3.28Å; H25-T31 CarbonylContact C-O 3.45Å; H25-T31 VanDerWaalsContact CA-O 3.29Å; H25-T31 WeakPolarHBondContact CA-O 3.46Å; H25-T32 HydrophobicContact CB-CG2 4.15Å; H25-V44 WeakPolarHBondContact O-CG1 3.33Å
26	C	87	Confident	79.7	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.			trans	-64.6	128.5	176.5	-176.7	0	0	0	0	109.7	D28 N30 T31 I35 C46	C26-D28 PolarHBondContact O-N 3.19Å; C26-N30 WeakPolarHBondContact O-CA 3.4Å; C26-N30 PolarHBondContact O-N 3.34Å; C26-T31 HydrophobicContact CB-CG2 3.75Å; C26-T31 PolarHBondContact N-O 3.2Å; C26-I35 HydrophobicContact CB-CD1 4.45Å; C26-C46 HydrophobicContact CB-CB 3.97Å; C26-C46 PolarHBondContact SG-N 3.28Å
27	V	87.7	Confident	80.9	Confident	94 Å²	94	56 Å²	56	57%	0.57	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-32.1	179.2	176.6	0	0	0	0	111.3	H25 V44	H25-V27 PolarHBondContact O-N 3.45Å; V27-V44 WeakPolarHBondContact CG2-O 3.39Å; V27-V44 PolarHBondContact N-O 3.45Å
28	D	86.8	Confident	82.1	Confident	88 Å²	88	55.9 Å²	55.9	47%	0.471	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-46	-174.4	-46.6	-67.7	0	0	0	114.2	C26 H43 H53	C26-D28 PolarHBondContact O-N 3.19Å; D28-H43 IonicContact OD2-CE1 3.12Å; D28-H43 IonicContact OD2-NE2 3.52Å; D28-H53 HydrophobicContact CB-CB 4.45Å; D28-H53 WeakPolarHBondContact OD2-CB 3.4Å; D28-H53 IonicContact OD2-CD2 2.86Å; D28-H53 IonicContact OD2-CG 3.98Å
29	C	84.1	Confident	82.9	Confident	51 Å²	51	55.9 Å²	55.9	35%	0.345	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	1	-177.8	67.2	0	0	0	0	115.2	T31	C29-T31 PolarHBondContact O-N 3.01Å; C29-T31 VanDerWaalsContact SG-CG2 3.53Å
30	N	83.6	Confident	83.4	Confident	112 Å²	112	53.5 Å²	53.5	60%	0.599	29%	0.291	S	S	*	.			trans	57.7	16.3	178.7	-156.9	38.4	0	0	0	115.4	H25 C26	H25-N30 PolarHBondContact CD2-OD1 3.28Å; C26-N30 WeakPolarHBondContact O-CA 3.4Å; C26-N30 PolarHBondContact O-N 3.34Å
31	T	77.5	Confident	83.9	Confident	30 Å²	30	52 Å²	52	18%	0.184	29%	0.285	C	S	.	.			trans	-65	151.7	171.6	-171	0	0	0	0	110.4	H25 C26 C29 E33 I35 C46 I50	H25-T31 CarbonylContact C-O 3.45Å; H25-T31 VanDerWaalsContact CA-O 3.29Å; H25-T31 WeakPolarHBondContact CA-O 3.46Å; C26-T31 HydrophobicContact CB-CG2 3.75Å; C26-T31 PolarHBondContact N-O 3.2Å; C29-T31 PolarHBondContact O-N 3.01Å; C29-T31 VanDerWaalsContact SG-CG2 3.53Å; T31-E33 PolarHBondContact OG1-N 3.41Å; T31-E33 VanDerWaalsContact OG1-N 3.16Å; T31-I35 HydrophobicContact CG2-CD1 3.99Å; T31-I35 WeakPolarHBondContact O-CD1 3.44Å; T31-C46 HydrophobicContact CG2-CB 3.37Å; T31-I50 HydrophobicContact CG2-CG2 4.18Å
32	T	80.7	Confident	84.3	Confident	82 Å²	82	52 Å²	52	50%	0.503	29%	0.289	S	S	.	.			trans	-110.7	2.1	171.7	52.1	0	0	0	0	111.7	H25 I35	H25-T32 HydrophobicContact CB-CG2 4.15Å; T32-I35 WeakPolarHBondContact O-CG1 3.29Å
33	E	73.4	Confident	84.8	Confident	133 Å²	133	48.4 Å²	48.4	62%	0.621	27%	0.272	S	S	*	.	S	Bend	trans	-94	131.1	179.1	-60.6	-174.2	173.7	0	0	110.6	T31	T31-E33 PolarHBondContact OG1-N 3.41Å; T31-E33 VanDerWaalsContact OG1-N 3.16Å
34	S	80.8	Confident	85.4	Confident	45 Å²	45	43.9 Å²	43.9	32%	0.315	25%	0.252	S	S	.	.	S	Bend	trans	48.8	74.7	-178.7	-163.9	0	0	0	0	112.8	W36 G47	S34-W36 PolarHBondContact OG-NE1 3.05Å; S34-G47 PolarHBondContact O-N 3.2Å
35	I	88.9	Confident	85.5	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	122.1	-172	-57.5	-56	0	0	0	110.7	C26 T31 T32 V44 E68 V69	C26-I35 HydrophobicContact CB-CD1 4.45Å; T31-I35 HydrophobicContact CG2-CD1 3.99Å; T31-I35 WeakPolarHBondContact O-CD1 3.44Å; T32-I35 WeakPolarHBondContact O-CG1 3.29Å; I35-V44 HydrophobicContact CG2-CG1 3.2Å; I35-E68 PolarHBondContact N-OE1 3.11Å; I35-E68 CarbonylContact O-C 3.56Å; I35-E68 VanDerWaalsContact O-CA 3.26Å; I35-E68 WeakPolarHBondContact O-CA 3.31Å; I35-E68 WeakPolarHBondContact O-CG 3.28Å; I35-V69 HydrophobicContact CB-CG2 3.82Å; I35-V69 HydrophobicContact CG2-CG2 4.08Å; I35-V69 PolarHBondContact O-N 3.3Å
36	W	90.9	Very high	85.6	Confident	18 Å²	18	38.8 Å²	38.8	7%	0.068	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117	-174.7	-64.5	76.9	0	0	0	110.1	S34 A45 G47 A54 A66 M67 E68 F75 Y82	S34-W36 PolarHBondContact OG-NE1 3.05Å; W36-A45 PolarHBondContact N-O 3.49Å; W36-A45 PolarHBondContact O-N 2.76Å; W36-G47 VanDerWaalsContact NE1-CA 3.34Å; W36-A54 HydrophobicContact CB-CB 4.06Å; W36-A66 HydrophobicContact CB-CB 4.38Å; W36-A66 HydrophobicContact CE3-CB 4.25Å; W36-M67 CarbonylContact C-O 3.59Å; W36-M67 WeakPolarHBondContact CA-O 3.23Å; W36-E68 HydrophobicContact CD2-CB 3.86Å; W36-E68 HydrophobicContact CD2-CG 4.11Å; W36-E68 HydrophobicContact CE3-CB 3.93Å; W36-E68 HydrophobicContact CG-CG 4.45Å; W36-E68 HydrophobicContact CH2-CB 4.02Å; W36-E68 HydrophobicContact CZ2-CB 3.94Å; W36-E68 HydrophobicContact CZ2-CG 4.03Å; W36-E68 HydrophobicContact CZ3-CB 3.99Å; W36-F75 HydrophobicContact CE3-CB 4.29Å; W36-F75 HydrophobicContact CH2-CB 4.01Å; W36-F75 HydrophobicContact CZ3-CB 3.51Å; W36-Y82 AromaticContact CH2-CE1 3.82Å; W36-Y82 HydrophobicContact CH2-CE1 3.82Å
37	A	89.9	Confident	85.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.4	174.1	0	0	0	0	0	110	I18 L39 V44 A66 M67 V69	I18-A37 HydrophobicContact CB-CB 3.79Å; I18-A37 HydrophobicContact CD1-CB 3.75Å; I18-A37 HydrophobicContact CG1-CB 3.59Å; A37-L39 PolarHBondContact O-N 3.21Å; A37-V44 HydrophobicContact CB-CG2 4.25Å; A37-A66 CarbonylContact O-C 3.47Å; A37-A66 VanDerWaalsContact O-CA 3.28Å; A37-A66 WeakPolarHBondContact O-CA 3.42Å; A37-M67 PolarHBondContact N-O 2.94Å; A37-M67 PolarHBondContact O-N 3.32Å; A37-V69 HydrophobicContact CB-CG1 4.04Å
38	C	89.3	Confident	84.4	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125.6	178.4	173.7	0	0	0	0	110.6	H16 G40 C41 H43 H57 H63	H16-C38 PolarHBondContact CE1-O 3.15Å; H16-C38 PolarHBondContact NE2-O 2.95Å; C38-G40 PolarHBondContact O-N 2.88Å; C38-G40 PolarHBondContact SG-N 3.43Å; C38-G40 VanDerWaalsContact SG-N 3.44Å; C38-C41 PolarHBondContact O-N 2.9Å; C38-H43 HydrophobicContact CB-CB 4.49Å; C38-H43 WeakPolarHBondContact CB-O 3.32Å; C38-H43 PolarHBondContact N-O 3.49Å; C38-H57 PolarHBondContact SG-NE2 2.95Å; C38-H63 WeakPolarHBondContact SG-CB 3.11Å
39	L	87.2	Confident	83.6	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-7.7	-178.6	-62.5	-175.8	0	0	0	114.4	L10 L12 H16 I18 A37 L65 M67 V74 L92 L95	L10-L39 HydrophobicContact CD1-CB 3.6Å; L10-L39 HydrophobicContact CD1-CD1 4.34Å; L10-L39 HydrophobicContact CD2-CD1 4.23Å; L12-L39 HydrophobicContact CD2-CB 4.37Å; L12-L39 HydrophobicContact CD2-CD2 4.14Å; H16-L39 WeakPolarHBondContact NE2-CA 3.43Å; I18-L39 HydrophobicContact CD1-CD2 4.18Å; A37-L39 PolarHBondContact O-N 3.21Å; L39-L65 HydrophobicContact CB-CB 4.07Å; L39-L65 HydrophobicContact CD1-CB 4.14Å; L39-L65 HydrophobicContact CG-CB 4.45Å; L39-L65 PolarHBondContact N-O 2.91Å; L39-M67 HydrophobicContact CD1-CB 4.36Å; L39-M67 HydrophobicContact CD2-CB 3.84Å; L39-M67 HydrophobicContact CG-CB 4.22Å; L39-V74 HydrophobicContact CD1-CG1 4Å; L39-L92 HydrophobicContact CD1-CD2 3.61Å; L39-L95 HydrophobicContact CD2-CD2 3.61Å
40	G	83.5	Confident	83.3	Confident	31 Å²	31	41.4 Å²	41.4	32%	0.32	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-12.4	176.6	0	0	0	0	0	115.1	C38	C38-G40 PolarHBondContact O-N 2.88Å; C38-G40 PolarHBondContact SG-N 3.43Å; C38-G40 VanDerWaalsContact SG-N 3.44Å
41	C	87.6	Confident	83.1	Confident	26 Å²	26	41.8 Å²	41.8	18%	0.176	22%	0.22	C	C	.	.	S	Bend	trans	-159.1	-179.9	-178.3	71.8	0	0	0	0	112.6	C38 H43 H57 H63	C38-C41 PolarHBondContact O-N 2.9Å; C41-H43 PolarHBondContact O-N 3.21Å; C41-H43 VanDerWaalsContact SG-CB 3.57Å; C41-H57 PolarHBondContact SG-CE1 3.14Å; C41-H57 PolarHBondContact SG-NE2 3.48Å; C41-H57 VanDerWaalsContact SG-NE2 3.37Å; C41-H63 PolarHBondContact SG-ND1 2.67Å; C41-H63 VanDerWaalsContact SG-ND1 3.43Å
42	A	86.1	Confident	83.5	Confident	48 Å²	48	44.5 Å²	44.5	40%	0.397	23%	0.231	S	C	.	.	S	Bend	trans	-76.9	3.8	-177	0	0	0	0	0	115.3	D15 S17	D15-A42 WeakPolarHBondContact O-CB 3.26Å; S17-A42 VanDerWaalsContact CB-O 3.27Å; S17-A42 WeakPolarHBondContact CB-O 3.43Å; S17-A42 PolarHBondContact OG-O 2.62Å
43	H	87.4	Confident	83.8	Confident	44 Å²	44	42 Å²	42	20%	0.204	21%	0.213	C	C	.	.			trans	-79.4	139.9	-172.2	-169	78.9	0	0	0	112.7	D28 C38 C41 H57	D28-H43 IonicContact OD2-CE1 3.12Å; D28-H43 IonicContact OD2-NE2 3.52Å; C38-H43 HydrophobicContact CB-CB 4.49Å; C38-H43 WeakPolarHBondContact CB-O 3.32Å; C38-H43 PolarHBondContact N-O 3.49Å; C41-H43 PolarHBondContact O-N 3.21Å; C41-H43 VanDerWaalsContact SG-CB 3.57Å; H43-H57 AromaticContact CD2-CD2 3.94Å; H43-H57 AromaticContact CD2-CE1 3.75Å; H43-H57 AromaticContact CD2-CG 3.44Å; H43-H57 VanDerWaalsContact CD2-CG 3.44Å; H43-H57 AromaticContact CD2-ND1 3.35Å; H43-H57 PolarHBondContact CD2-ND1 3.15Å; H43-H57 VanDerWaalsContact CD2-ND1 3.35Å; H43-H57 AromaticContact CG-CE1 3.71Å; H43-H57 AromaticContact CG-ND1 3.64Å; H43-H57 AromaticContact NE2-ND1 3.92Å
44	V	89.6	Confident	84.4	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.8	-179.1	-179	0	0	0	0	108.7	H25 V27 I35 A37	H25-V44 WeakPolarHBondContact O-CG1 3.33Å; V27-V44 WeakPolarHBondContact CG2-O 3.39Å; V27-V44 PolarHBondContact N-O 3.45Å; I35-V44 HydrophobicContact CG2-CG1 3.2Å; A37-V44 HydrophobicContact CB-CG2 4.25Å
45	A	89.4	Confident	84.8	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	162.6	-170.9	0	0	0	0	0	112.1	W36 H53 A54	W36-A45 PolarHBondContact N-O 3.49Å; W36-A45 PolarHBondContact O-N 2.76Å; A45-H53 HydrophobicContact CB-CB 3.85Å; A45-A54 HydrophobicContact CB-CB 3.88Å
46	C	86.5	Confident	84.7	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	152.8	175.8	70.7	0	0	0	0	112.1	C26 T31 I50 E51 H53 A54	C26-C46 HydrophobicContact CB-CB 3.97Å; C26-C46 PolarHBondContact SG-N 3.28Å; T31-C46 HydrophobicContact CG2-CB 3.37Å; C46-I50 HydrophobicContact CB-CB 4.04Å; C46-I50 HydrophobicContact CB-CG2 4.06Å; C46-E51 PolarHBondContact SG-N 3.19Å; C46-H53 PolarHBondContact SG-ND1 3.18Å; C46-A54 VanDerWaalsContact O-CB 3.29Å; C46-A54 WeakPolarHBondContact O-CB 3.21Å; C46-A54 PolarHBondContact O-N 3.12Å; C46-A54 VanDerWaalsContact O-N 3.09Å
47	G	79.3	Confident	84.7	Confident	1 Å²	1	39 Å²	39	1%	0.01	20%	0.197	C	C	.	.			trans	-65.3	168.5	-178.3	0	0	0	0	0	115	S34 W36 Y49 I50 E52	S34-G47 PolarHBondContact O-N 3.2Å; W36-G47 VanDerWaalsContact NE1-CA 3.34Å; G47-Y49 PolarHBondContact O-N 3.29Å; G47-Y49 VanDerWaalsContact O-N 3.11Å; G47-I50 PolarHBondContact O-N 2.96Å; G47-I50 VanDerWaalsContact O-N 3.12Å; G47-E52 PolarHBondContact O-N 2.91Å
48	R	70.8	Confident	84.7	Confident	66 Å²	66	40 Å²	40	25%	0.249	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.5	-179.5	-169.7	-176.1	-67.5	-171.6	-1.9	114.3	E52 D80	R48-E52 HydrophobicContact CG-CG 4.31Å; R48-E52 VanDerWaalsContact O-CG 3.25Å; R48-E52 WeakPolarHBondContact O-CG 3.34Å; R48-D80 IonicContact CZ-OD1 3.81Å; R48-D80 VanDerWaalsContact CZ-OD1 3.28Å; R48-D80 IonicContact NH1-OD1 3.71Å; R48-D80 PolarHBondContact NH1-OD1 2.93Å; R48-D80 IonicContact NH2-OD1 3.6Å; R48-D80 PolarHBondContact NH2-OD1 3.08Å
49	Y	69.7	Low	84.8	Confident	162 Å²	162	45.3 Å²	45.3	64%	0.635	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.5	9.1	-178.6	-55.9	-65.7	0	0	0	113.2	G47	G47-Y49 PolarHBondContact O-N 3.29Å; G47-Y49 VanDerWaalsContact O-N 3.11Å
50	I	76.9	Confident	85	Confident	60 Å²	60	51.9 Å²	51.9	31%	0.308	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-98.1	172.6	-54.1	-63.3	0	0	0	107.4	T31 C46 G47	T31-I50 HydrophobicContact CG2-CG2 4.18Å; C46-I50 HydrophobicContact CB-CB 4.04Å; C46-I50 HydrophobicContact CB-CG2 4.06Å; G47-I50 PolarHBondContact O-N 2.96Å; G47-I50 VanDerWaalsContact O-N 3.12Å
51	E	79.5	Confident	85.2	Confident	120 Å²	120	55.4 Å²	55.4	56%	0.561	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	13.3	179.6	-60.4	-60.5	142.3	0	0	112.2	C46 H53	C46-E51 PolarHBondContact SG-N 3.19Å; E51-H53 VanDerWaalsContact CB-CE1 3.46Å; E51-H53 WeakPolarHBondContact CB-CE1 3.43Å; E51-H53 PolarHBondContact O-N 3.29Å
52	E	86.7	Confident	85.3	Confident	86 Å²	86	62.7 Å²	62.7	40%	0.402	29%	0.288	S	S	.	.			trans	60.3	14.7	173.9	-53.4	-165.6	145.1	0	0	116.8	G47 R48 A54 L55 Q56	G47-E52 PolarHBondContact O-N 2.91Å; R48-E52 HydrophobicContact CG-CG 4.31Å; R48-E52 VanDerWaalsContact O-CG 3.25Å; R48-E52 WeakPolarHBondContact O-CG 3.34Å; E52-A54 PolarHBondContact O-N 3.21Å; E52-A54 VanDerWaalsContact O-N 3.1Å; E52-L55 HydrophobicContact CB-CB 4.34Å; E52-L55 WeakPolarHBondContact O-CA 3.21Å; E52-L55 VanDerWaalsContact O-CB 3.31Å; E52-L55 WeakPolarHBondContact O-CB 3.49Å; E52-L55 PolarHBondContact O-N 3.39Å; E52-Q56 PolarHBondContact O-N 3.49Å
53	H	85.9	Confident	85.5	Confident	30 Å²	30	62.9 Å²	62.9	14%	0.139	28%	0.281	C	S	.	.	H	α-helix	trans	-55.5	-33.7	-179.4	-67.7	119.6	0	0	0	113.9	D28 A45 C46 E51 L55 Q56 H57	D28-H53 HydrophobicContact CB-CB 4.45Å; D28-H53 WeakPolarHBondContact OD2-CB 3.4Å; D28-H53 IonicContact OD2-CD2 2.86Å; D28-H53 IonicContact OD2-CG 3.98Å; A45-H53 HydrophobicContact CB-CB 3.85Å; C46-H53 PolarHBondContact SG-ND1 3.18Å; E51-H53 VanDerWaalsContact CB-CE1 3.46Å; E51-H53 WeakPolarHBondContact CB-CE1 3.43Å; E51-H53 PolarHBondContact O-N 3.29Å; H53-L55 VanDerWaalsContact C-N 3.29Å; H53-L55 PolarHBondContact O-N 3.47Å; H53-Q56 PolarHBondContact CD2-OE1 3.44Å; H53-Q56 PolarHBondContact O-N 3.44Å; H53-H57 WeakPolarHBondContact O-CB 3.27Å; H53-H57 PolarHBondContact O-N 2.83Å
54	A	87.3	Confident	85.5	Confident	5 Å²	5	62.4 Å²	62.4	4%	0.041	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-30.6	175.2	0	0	0	0	0	113	W36 A45 C46 E52 F58 Y77	W36-A54 HydrophobicContact CB-CB 4.06Å; A45-A54 HydrophobicContact CB-CB 3.88Å; C46-A54 VanDerWaalsContact O-CB 3.29Å; C46-A54 WeakPolarHBondContact O-CB 3.21Å; C46-A54 PolarHBondContact O-N 3.12Å; C46-A54 VanDerWaalsContact O-N 3.09Å; E52-A54 PolarHBondContact O-N 3.21Å; E52-A54 VanDerWaalsContact O-N 3.1Å; A54-F58 PolarHBondContact O-N 2.86Å; A54-Y77 WeakPolarHBondContact CB-OH 3.34Å
55	L	87.4	Confident	85.5	Confident	31 Å²	31	62.5 Å²	62.5	16%	0.162	28%	0.282	C	S	.	.	H	α-helix	trans	-74.1	-43.4	173	177	64	0	0	0	111.2	E52 H53 H57 F58 Q59 Y77	E52-L55 HydrophobicContact CB-CB 4.34Å; E52-L55 WeakPolarHBondContact O-CA 3.21Å; E52-L55 VanDerWaalsContact O-CB 3.31Å; E52-L55 WeakPolarHBondContact O-CB 3.49Å; E52-L55 PolarHBondContact O-N 3.39Å; H53-L55 VanDerWaalsContact C-N 3.29Å; H53-L55 PolarHBondContact O-N 3.47Å; L55-H57 VanDerWaalsContact C-N 3.34Å; L55-H57 PolarHBondContact O-N 3.43Å; L55-F58 HydrophobicContact CD1-CD1 4.35Å; L55-F58 WeakPolarHBondContact O-CB 3.46Å; L55-F58 PolarHBondContact O-N 3.41Å; L55-Q59 WeakPolarHBondContact O-CG 3.48Å; L55-Q59 PolarHBondContact O-N 2.95Å; L55-Y77 HydrophobicContact CB-CE1 3.96Å; L55-Y77 HydrophobicContact CD1-CD1 3.63Å; L55-Y77 HydrophobicContact CD1-CE1 3.85Å
56	Q	87.6	Confident	85.5	Confident	80 Å²	80	62.7 Å²	62.7	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-61	-43.6	177.1	-64.3	177	12.2	0	0	111.3	E52 H53 F58 Q59 Q60	E52-Q56 PolarHBondContact O-N 3.49Å; H53-Q56 PolarHBondContact CD2-OE1 3.44Å; H53-Q56 PolarHBondContact O-N 3.44Å; Q56-F58 VanDerWaalsContact C-N 3.33Å; Q56-F58 PolarHBondContact O-N 3.27Å; Q56-Q59 WeakPolarHBondContact O-CB 3.38Å; Q56-Q59 PolarHBondContact O-N 3.19Å; Q56-Q59 VanDerWaalsContact O-N 3.11Å; Q56-Q60 WeakPolarHBondContact O-CG 3.4Å; Q56-Q60 PolarHBondContact O-N 3.49Å
57	H	90.4	Very high	85.6	Confident	19 Å²	19	62.7 Å²	62.7	9%	0.088	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-43.7	173.8	175.3	71.1	0	0	0	112.4	C38 C41 H43 H53 L55 Q60 Q61 H63	C38-H57 PolarHBondContact SG-NE2 2.95Å; C41-H57 PolarHBondContact SG-CE1 3.14Å; C41-H57 PolarHBondContact SG-NE2 3.48Å; C41-H57 VanDerWaalsContact SG-NE2 3.37Å; H43-H57 AromaticContact CD2-CD2 3.94Å; H43-H57 AromaticContact CD2-CE1 3.75Å; H43-H57 AromaticContact CD2-CG 3.44Å; H43-H57 VanDerWaalsContact CD2-CG 3.44Å; H43-H57 AromaticContact CD2-ND1 3.35Å; H43-H57 PolarHBondContact CD2-ND1 3.15Å; H43-H57 VanDerWaalsContact CD2-ND1 3.35Å; H43-H57 AromaticContact CG-CE1 3.71Å; H43-H57 AromaticContact CG-ND1 3.64Å; H43-H57 AromaticContact NE2-ND1 3.92Å; H53-H57 WeakPolarHBondContact O-CB 3.27Å; H53-H57 PolarHBondContact O-N 2.83Å; L55-H57 VanDerWaalsContact C-N 3.34Å; L55-H57 PolarHBondContact O-N 3.43Å; H57-Q60 PolarHBondContact O-N 3.36Å; H57-Q61 WeakPolarHBondContact O-CB 3.37Å; H57-Q61 PolarHBondContact O-N 3.37Å; H57-H63 AromaticContact CE1-ND1 3.91Å; H57-H63 AromaticContact NE2-ND1 3.5Å
58	F	91.6	Very high	86.1	Confident	21 Å²	21	63.1 Å²	63.1	9%	0.092	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-42.4	174.1	163.2	-109.1	0	0	0	112.3	A54 L55 Q56 Q60 R62 H63 P64 Y77 L78	A54-F58 PolarHBondContact O-N 2.86Å; L55-F58 HydrophobicContact CD1-CD1 4.35Å; L55-F58 WeakPolarHBondContact O-CB 3.46Å; L55-F58 PolarHBondContact O-N 3.41Å; Q56-F58 VanDerWaalsContact C-N 3.33Å; Q56-F58 PolarHBondContact O-N 3.27Å; F58-Q60 VanDerWaalsContact C-N 3.27Å; F58-Q60 PolarHBondContact O-N 3.35Å; F58-R62 WeakPolarHBondContact O-CA 3.42Å; F58-R62 PolarHBondContact O-N 3.31Å; F58-H63 VanDerWaalsContact CD2-O 3.27Å; F58-H63 WeakPolarHBondContact CD2-O 3.27Å; F58-P64 HydrophobicContact CE2-CB 4.21Å; F58-Y77 HydrophobicContact CB-CD1 4.4Å; F58-Y77 HydrophobicContact CB-CD2 4.08Å; F58-Y77 HydrophobicContact CB-CG 3.94Å; F58-Y77 HydrophobicContact CD1-CD1 4.24Å; F58-Y77 AromaticContact CD1-CG 3.96Å; F58-Y77 HydrophobicContact CD1-CG 3.96Å; F58-Y77 HydrophobicContact CD2-CG 4.45Å; F58-Y77 HydrophobicContact CG-CD1 4.44Å; F58-Y77 HydrophobicContact CG-CD2 4.32Å; F58-Y77 AromaticContact CG-CG 3.84Å; F58-Y77 HydrophobicContact CG-CG 3.84Å; F58-L78 HydrophobicContact CE2-CD2 4.11Å; F58-L78 HydrophobicContact CE2-CG 3.97Å; F58-L78 HydrophobicContact CZ-CD2 3.77Å; F58-L78 HydrophobicContact CZ-CG 3.98Å
59	Q	90.3	Very high	86.6	Confident	117 Å²	117	60 Å²	60	55%	0.547	27%	0.273	S	S	.	.	H	α-helix	trans	-62.1	-36.7	179.5	-71.4	170.9	-12.1	0	0	111.9	L55 Q56	L55-Q59 WeakPolarHBondContact O-CG 3.48Å; L55-Q59 PolarHBondContact O-N 2.95Å; Q56-Q59 WeakPolarHBondContact O-CB 3.38Å; Q56-Q59 PolarHBondContact O-N 3.19Å; Q56-Q59 VanDerWaalsContact O-N 3.11Å
60	Q	90.8	Very high	87	Confident	138 Å²	138	55.2 Å²	55.2	65%	0.645	26%	0.259	S	S	*	.	H	α-helix	trans	-80.3	-50	-179.9	-66.3	172.9	6.9	0	0	113	Q56 H57 F58	Q56-Q60 WeakPolarHBondContact O-CG 3.4Å; Q56-Q60 PolarHBondContact O-N 3.49Å; H57-Q60 PolarHBondContact O-N 3.36Å; F58-Q60 VanDerWaalsContact C-N 3.27Å; F58-Q60 PolarHBondContact O-N 3.35Å
61	Q	88.3	Confident	87	Confident	105 Å²	105	56.8 Å²	56.8	49%	0.491	27%	0.265	S	S	.	.	H	α-helix	trans	-99.5	-6.6	-169.3	-57.4	-59.3	-43.6	0	0	113.5	H57 H63	H57-Q61 WeakPolarHBondContact O-CB 3.37Å; H57-Q61 PolarHBondContact O-N 3.37Å; Q61-H63 PolarHBondContact O-N 3.48Å; Q61-H63 VanDerWaalsContact O-N 3.09Å
62	R	89.6	Confident	87.1	Confident	179 Å²	179	51.2 Å²	51.2	68%	0.675	24%	0.239	S	C	*	.			trans	55.4	24.3	-177.3	-62.9	-67.9	-173.1	160.6	0.6	114.2	F58 P64	F58-R62 WeakPolarHBondContact O-CA 3.42Å; F58-R62 PolarHBondContact O-N 3.31Å; R62-P64 VanDerWaalsContact O-CD 3.25Å; R62-P64 WeakPolarHBondContact O-CD 3.34Å
63	H	90.1	Very high	86.9	Confident	51 Å²	51	49.1 Å²	49.1	24%	0.236	23%	0.228	C	C	.	.			trans	-79.9	107.2	174.3	-66.8	147.5	0	0	0	111.3	C38 C41 H57 F58 Q61 L65	C38-H63 WeakPolarHBondContact SG-CB 3.11Å; C41-H63 PolarHBondContact SG-ND1 2.67Å; C41-H63 VanDerWaalsContact SG-ND1 3.43Å; H57-H63 AromaticContact CE1-ND1 3.91Å; H57-H63 AromaticContact NE2-ND1 3.5Å; F58-H63 VanDerWaalsContact CD2-O 3.27Å; F58-H63 WeakPolarHBondContact CD2-O 3.27Å; Q61-H63 PolarHBondContact O-N 3.48Å; Q61-H63 VanDerWaalsContact O-N 3.09Å; H63-L65 PolarHBondContact O-N 2.87Å
64	P	87.7	Confident	86.9	Confident	34 Å²	34	47.8 Å²	47.8	22%	0.221	22%	0.222	C	C	.	.			trans	-84.5	-9.9	-161.4	34.2	-36.5	0	0	0	113.9	F58 R62 C76 Y77 L78	F58-P64 HydrophobicContact CE2-CB 4.21Å; R62-P64 VanDerWaalsContact O-CD 3.25Å; R62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-C76 CarbonylContact O-C 3.55Å; P64-C76 WeakPolarHBondContact O-CA 3.44Å; P64-Y77 PolarHBondContact O-N 3.42Å; P64-L78 HydrophobicContact CB-CB 4.16Å; P64-L78 HydrophobicContact CB-CD1 3.44Å; P64-L78 VanDerWaalsContact CB-CD1 3.44Å; P64-L78 HydrophobicContact CB-CG 3.61Å; P64-L78 HydrophobicContact CG-CD1 4.04Å
65	L	89.3	Confident	87	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.7	-171.5	-68.4	170.9	0	0	0	110.6	V7 L10 L39 H63 V74 F75 C76 V83	V7-L65 HydrophobicContact CG2-CD1 4.48Å; V7-L65 HydrophobicContact CG2-CD2 4.24Å; L10-L65 HydrophobicContact CB-CD1 4.16Å; L10-L65 HydrophobicContact CD1-CD1 3.91Å; L10-L65 HydrophobicContact CG-CD1 4.48Å; L39-L65 HydrophobicContact CB-CB 4.07Å; L39-L65 HydrophobicContact CD1-CB 4.14Å; L39-L65 HydrophobicContact CG-CB 4.45Å; L39-L65 PolarHBondContact N-O 2.91Å; H63-L65 PolarHBondContact O-N 2.87Å; L65-V74 HydrophobicContact CD2-CG1 4.25Å; L65-F75 WeakPolarHBondContact CA-O 3.26Å; L65-C76 HydrophobicContact CD2-CB 3.7Å; L65-V83 HydrophobicContact CD2-CG2 3.76Å
66	A	89.6	Confident	87	Confident	6 Å²	6	46.9 Å²	46.9	5%	0.05	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	148	172.4	0	0	0	0	0	110.6	W36 A37 V74 F75 Y77	W36-A66 HydrophobicContact CB-CB 4.38Å; W36-A66 HydrophobicContact CE3-CB 4.25Å; A37-A66 CarbonylContact O-C 3.47Å; A37-A66 VanDerWaalsContact O-CA 3.28Å; A37-A66 WeakPolarHBondContact O-CA 3.42Å; A66-V74 CarbonylContact O-C 3.56Å; A66-V74 VanDerWaalsContact O-CA 3.31Å; A66-V74 WeakPolarHBondContact O-CA 3.29Å; A66-F75 PolarHBondContact N-O 2.93Å; A66-F75 PolarHBondContact O-N 2.8Å; A66-Y77 HydrophobicContact CB-CE2 4Å
67	M	88.4	Confident	86.9	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131	178.1	-178.5	179.1	-73.8	0	0	110.7	I18 W36 A37 L39 Y73 V74 L92 L95 R96 L99	I18-M67 HydrophobicContact CD1-CB 3.9Å; I18-M67 HydrophobicContact CD1-CG 4.13Å; I18-M67 HydrophobicContact CD1-SD 3.81Å; W36-M67 CarbonylContact C-O 3.59Å; W36-M67 WeakPolarHBondContact CA-O 3.23Å; A37-M67 PolarHBondContact N-O 2.94Å; A37-M67 PolarHBondContact O-N 3.32Å; L39-M67 HydrophobicContact CD1-CB 4.36Å; L39-M67 HydrophobicContact CD2-CB 3.84Å; L39-M67 HydrophobicContact CG-CB 4.22Å; M67-Y73 CarbonylContact C-O 3.48Å; M67-Y73 VanDerWaalsContact CA-O 3.23Å; M67-Y73 WeakPolarHBondContact CA-O 3.4Å; M67-V74 HydrophobicContact CB-CG2 4.09Å; M67-V74 HydrophobicContact CE-CG2 3.38Å; M67-V74 HydrophobicContact CG-CG2 4.03Å; M67-L92 HydrophobicContact CE-CD2 3.76Å; M67-L95 HydrophobicContact CE-CB 4.44Å; M67-L95 HydrophobicContact CE-CD2 3.77Å; M67-L95 HydrophobicContact CE-CG 4.28Å; M67-L95 HydrophobicContact SD-CD2 3.89Å; M67-L95 HydrophobicContact SD-CG 4.17Å; M67-R96 HydrophobicContact CE-CG 4.05Å; M67-L99 HydrophobicContact SD-CD1 3.54Å; M67-L99 VanDerWaalsContact SD-CD1 3.54Å
68	E	89.6	Confident	86.7	Confident	9 Å²	9	47.4 Å²	47.4	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.7	171.2	-155.9	-72.1	155.8	0	0	109.5	I35 W36 N70 E71 L72 Y73	I35-E68 PolarHBondContact N-OE1 3.11Å; I35-E68 CarbonylContact O-C 3.56Å; I35-E68 VanDerWaalsContact O-CA 3.26Å; I35-E68 WeakPolarHBondContact O-CA 3.31Å; I35-E68 WeakPolarHBondContact O-CG 3.28Å; W36-E68 HydrophobicContact CD2-CB 3.86Å; W36-E68 HydrophobicContact CD2-CG 4.11Å; W36-E68 HydrophobicContact CE3-CB 3.93Å; W36-E68 HydrophobicContact CG-CG 4.45Å; W36-E68 HydrophobicContact CH2-CB 4.02Å; W36-E68 HydrophobicContact CZ2-CB 3.94Å; W36-E68 HydrophobicContact CZ2-CG 4.03Å; W36-E68 HydrophobicContact CZ3-CB 3.99Å; E68-N70 PolarHBondContact O-N 2.75Å; E68-N70 PolarHBondContact OE1-ND2 2.96Å; E68-N70 WeakPolarHBondContact OE2-CA 3.45Å; E68-N70 WeakPolarHBondContact OE2-CB 3.16Å; E68-N70 PolarHBondContact OE2-N 3.5Å; E68-E71 PolarHBondContact OE2-N 2.78Å; E68-L72 WeakPolarHBondContact O-CA 3.37Å; E68-L72 PolarHBondContact O-N 2.8Å; E68-Y73 PolarHBondContact N-O 2.86Å
69	V	82.1	Confident	86.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-19.2	-166.4	-58.9	0	0	0	0	115	I18 W24 I35 A37 Q103	I18-V69 HydrophobicContact CG1-CG1 4.06Å; W24-V69 HydrophobicContact CB-CG2 4.38Å; W24-V69 HydrophobicContact CD2-CB 4.12Å; W24-V69 HydrophobicContact CD2-CG2 3.95Å; W24-V69 HydrophobicContact CE3-CG2 4.14Å; W24-V69 HydrophobicContact CG-CB 4.41Å; W24-V69 HydrophobicContact CG-CG2 4.07Å; I35-V69 HydrophobicContact CB-CG2 3.82Å; I35-V69 HydrophobicContact CG2-CG2 4.08Å; I35-V69 PolarHBondContact O-N 3.3Å; A37-V69 HydrophobicContact CB-CG1 4.04Å; V69-Q103 PolarHBondContact O-NE2 3.19Å
70	N	76.9	Confident	85.8	Confident	63 Å²	63	44.9 Å²	44.9	34%	0.337	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-50.4	-177.9	-60.5	-60	0	0	0	111.4	E68 Q103	E68-N70 PolarHBondContact O-N 2.75Å; E68-N70 PolarHBondContact OE1-ND2 2.96Å; E68-N70 WeakPolarHBondContact OE2-CA 3.45Å; E68-N70 WeakPolarHBondContact OE2-CB 3.16Å; E68-N70 PolarHBondContact OE2-N 3.5Å; N70-Q103 PolarHBondContact O-NE2 3.16Å
71	E	77.6	Confident	85	Confident	93 Å²	93	39 Å²	39	44%	0.435	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-6.7	-174.3	-60.3	-61	154.6	0	0	113	E68 Y73 R142	E68-E71 PolarHBondContact OE2-N 2.78Å; E71-Y73 HydrophobicContact CB-CD2 3.34Å; E71-Y73 HydrophobicContact CB-CE2 3.2Å; E71-Y73 HydrophobicContact CB-CG 4.2Å; E71-Y73 HydrophobicContact CG-CD2 4.24Å; E71-Y73 HydrophobicContact CG-CE2 3.82Å; E71-Y73 PolarHBondContact O-N 3.4Å; E71-Y73 VanDerWaalsContact O-N 3.15Å; E71-R142 WeakPolarHBondContact O-CD 3.33Å; E71-R142 VanDerWaalsContact O-CZ 3.3Å; E71-R142 PolarHBondContact O-NE 3.36Å
72	L	81.3	Confident	84.7	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	17%	0.169	C	C	.	.			trans	61.5	20.2	174.5	-47	-173	0	0	0	114.4	E68 R96 L99	E68-L72 WeakPolarHBondContact O-CA 3.37Å; E68-L72 PolarHBondContact O-N 2.8Å; L72-R96 HydrophobicContact CB-CG 4.12Å; L72-R96 HydrophobicContact CD1-CB 4.04Å; L72-R96 HydrophobicContact CD1-CG 4.36Å; L72-R96 WeakPolarHBondContact CD1-O 3.42Å; L72-R96 PolarHBondContact O-NE 2.85Å; L72-L99 HydrophobicContact CD1-CB 4.47Å; L72-L99 HydrophobicContact CD2-CB 3.69Å; L72-L99 HydrophobicContact CD2-CD1 3.8Å; L72-L99 HydrophobicContact CD2-CG 4.4Å
73	Y	82.6	Confident	84.3	Confident	42 Å²	42	27.2 Å²	27.2	17%	0.165	14%	0.139	C	C	.	.			trans	-70.2	137.1	174.9	-64.6	-50.1	0	0	0	110.9	M67 E68 E71 Y82 R142	M67-Y73 CarbonylContact C-O 3.48Å; M67-Y73 VanDerWaalsContact CA-O 3.23Å; M67-Y73 WeakPolarHBondContact CA-O 3.4Å; E68-Y73 PolarHBondContact N-O 2.86Å; E71-Y73 HydrophobicContact CB-CD2 3.34Å; E71-Y73 HydrophobicContact CB-CE2 3.2Å; E71-Y73 HydrophobicContact CB-CG 4.2Å; E71-Y73 HydrophobicContact CG-CD2 4.24Å; E71-Y73 HydrophobicContact CG-CE2 3.82Å; E71-Y73 PolarHBondContact O-N 3.4Å; E71-Y73 VanDerWaalsContact O-N 3.15Å; Y73-Y82 HydrophobicContact CG-CE1 4.37Å; Y73-R142 HydrophobicContact CD1-CB 4.34Å; Y73-R142 HydrophobicContact CE1-CB 3.61Å; Y73-R142 HydrophobicContact CE1-CG 3.7Å; Y73-R142 VanDerWaalsContact CE1-O 3.31Å; Y73-R142 WeakPolarHBondContact CE1-O 3.39Å
74	V	87.2	Confident	83.4	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.1	175	-178.6	0	0	0	0	108.9	L39 L65 A66 M67 Y82 V83 L92	L39-V74 HydrophobicContact CD1-CG1 4Å; L65-V74 HydrophobicContact CD2-CG1 4.25Å; A66-V74 CarbonylContact O-C 3.56Å; A66-V74 VanDerWaalsContact O-CA 3.31Å; A66-V74 WeakPolarHBondContact O-CA 3.29Å; M67-V74 HydrophobicContact CB-CG2 4.09Å; M67-V74 HydrophobicContact CE-CG2 3.38Å; M67-V74 HydrophobicContact CG-CG2 4.03Å; V74-Y82 WeakPolarHBondContact O-CA 3.4Å; V74-V83 HydrophobicContact CB-CB 3.91Å; V74-V83 HydrophobicContact CB-CG1 4.4Å; V74-V83 HydrophobicContact CG1-CB 3.79Å; V74-V83 HydrophobicContact CG1-CG1 4.26Å; V74-V83 HydrophobicContact CG1-CG2 3.94Å; V74-V83 PolarHBondContact O-N 3.46Å; V74-L92 HydrophobicContact CG2-CD2 4.11Å
75	F	87.7	Confident	82.7	Confident	17 Å²	17	26.6 Å²	26.6	8%	0.075	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.5	176.3	-166.6	-89.6	0	0	0	110.3	W36 L65 A66 Y77 Y82	W36-F75 HydrophobicContact CE3-CB 4.29Å; W36-F75 HydrophobicContact CH2-CB 4.01Å; W36-F75 HydrophobicContact CZ3-CB 3.51Å; L65-F75 WeakPolarHBondContact CA-O 3.26Å; A66-F75 PolarHBondContact N-O 2.93Å; A66-F75 PolarHBondContact O-N 2.8Å; F75-Y77 AromaticContact CD1-CD1 3.98Å; F75-Y77 HydrophobicContact CD1-CD1 3.98Å; F75-Y77 HydrophobicContact CD1-CD2 4.04Å; F75-Y77 HydrophobicContact CD1-CE1 4.01Å; F75-Y77 HydrophobicContact CD1-CE2 4.05Å; F75-Y77 AromaticContact CD1-CG 3.99Å; F75-Y77 HydrophobicContact CD1-CG 3.99Å; F75-Y77 AromaticContact CE1-CD1 3.85Å; F75-Y77 HydrophobicContact CE1-CD1 3.85Å; F75-Y77 HydrophobicContact CE1-CE1 4.09Å; F75-Y77 HydrophobicContact CE1-CG 4.14Å; F75-Y82 HydrophobicContact CD2-CD1 4.11Å; F75-Y82 AromaticContact CD2-CD2 3.7Å; F75-Y82 HydrophobicContact CD2-CD2 3.7Å; F75-Y82 HydrophobicContact CD2-CE1 4.14Å; F75-Y82 AromaticContact CD2-CE2 3.69Å; F75-Y82 HydrophobicContact CD2-CE2 3.69Å; F75-Y82 AromaticContact CD2-CG 3.91Å; F75-Y82 HydrophobicContact CD2-CG 3.91Å; F75-Y82 AromaticContact CD2-CZ 3.93Å; F75-Y82 AromaticContact CE2-CD2 3.89Å; F75-Y82 HydrophobicContact CE2-CD2 3.89Å; F75-Y82 AromaticContact CE2-CE2 3.87Å; F75-Y82 HydrophobicContact CE2-CE2 3.87Å; F75-Y82 HydrophobicContact CE2-CG 4.5Å
76	C	89.3	Confident	82	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.2	173.6	-174.6	0	0	0	0	110.6	H6 P64 L65 L78 C79 D80 D81 V83	H6-C76 PolarHBondContact ND1-SG 3.43Å; P64-C76 CarbonylContact O-C 3.55Å; P64-C76 WeakPolarHBondContact O-CA 3.44Å; L65-C76 HydrophobicContact CD2-CB 3.7Å; C76-L78 VanDerWaalsContact C-N 3.33Å; C76-L78 PolarHBondContact O-N 2.96Å; C76-C79 HydrophobicContact CB-CB 4.01Å; C76-C79 PolarHBondContact O-N 3.47Å; C76-D80 VanDerWaalsContact O-CA 3.31Å; C76-D80 WeakPolarHBondContact O-CA 3.25Å; C76-D80 PolarHBondContact O-N 2.81Å; C76-D81 PolarHBondContact N-O 3.37Å; C76-D81 PolarHBondContact O-N 2.83Å; C76-V83 HydrophobicContact CB-CG2 3.72Å
77	Y	85.6	Confident	81.3	Confident	18 Å²	18	29.7 Å²	29.7	7%	0.071	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.6	-179.9	-69.5	-85.3	0	0	0	113.9	A54 L55 F58 P64 A66 F75	A54-Y77 WeakPolarHBondContact CB-OH 3.34Å; L55-Y77 HydrophobicContact CB-CE1 3.96Å; L55-Y77 HydrophobicContact CD1-CD1 3.63Å; L55-Y77 HydrophobicContact CD1-CE1 3.85Å; F58-Y77 HydrophobicContact CB-CD1 4.4Å; F58-Y77 HydrophobicContact CB-CD2 4.08Å; F58-Y77 HydrophobicContact CB-CG 3.94Å; F58-Y77 HydrophobicContact CD1-CD1 4.24Å; F58-Y77 AromaticContact CD1-CG 3.96Å; F58-Y77 HydrophobicContact CD1-CG 3.96Å; F58-Y77 HydrophobicContact CD2-CG 4.45Å; F58-Y77 HydrophobicContact CG-CD1 4.44Å; F58-Y77 HydrophobicContact CG-CD2 4.32Å; F58-Y77 AromaticContact CG-CG 3.84Å; F58-Y77 HydrophobicContact CG-CG 3.84Å; P64-Y77 PolarHBondContact O-N 3.42Å; A66-Y77 HydrophobicContact CB-CE2 4Å; F75-Y77 AromaticContact CD1-CD1 3.98Å; F75-Y77 HydrophobicContact CD1-CD1 3.98Å; F75-Y77 HydrophobicContact CD1-CD2 4.04Å; F75-Y77 HydrophobicContact CD1-CE1 4.01Å; F75-Y77 HydrophobicContact CD1-CE2 4.05Å; F75-Y77 AromaticContact CD1-CG 3.99Å; F75-Y77 HydrophobicContact CD1-CG 3.99Å; F75-Y77 AromaticContact CE1-CD1 3.85Å; F75-Y77 HydrophobicContact CE1-CD1 3.85Å; F75-Y77 HydrophobicContact CE1-CE1 4.09Å; F75-Y77 HydrophobicContact CE1-CG 4.14Å
78	L	84.8	Confident	80.3	Confident	91 Å²	91	35.2 Å²	35.2	48%	0.476	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-37.4	171.5	-76.4	174	0	0	0	112.7	F58 P64 C76	F58-L78 HydrophobicContact CE2-CD2 4.11Å; F58-L78 HydrophobicContact CE2-CG 3.97Å; F58-L78 HydrophobicContact CZ-CD2 3.77Å; F58-L78 HydrophobicContact CZ-CG 3.98Å; P64-L78 HydrophobicContact CB-CB 4.16Å; P64-L78 HydrophobicContact CB-CD1 3.44Å; P64-L78 VanDerWaalsContact CB-CD1 3.44Å; P64-L78 HydrophobicContact CB-CG 3.61Å; P64-L78 HydrophobicContact CG-CD1 4.04Å; C76-L78 VanDerWaalsContact C-N 3.33Å; C76-L78 PolarHBondContact O-N 2.96Å
79	C	81.6	Confident	79.4	Confident	39 Å²	39	39.7 Å²	39.7	26%	0.264	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.2	172.9	-66.6	0	0	0	0	112.2	H6 C76 D81 R157	H6-C79 VanDerWaalsContact CE1-SG 3.5Å; H6-C79 PolarHBondContact ND1-SG 2.89Å; C76-C79 HydrophobicContact CB-CB 4.01Å; C76-C79 PolarHBondContact O-N 3.47Å; C79-D81 HydrophobicContact CB-CB 3.85Å; C79-D81 PolarHBondContact O-N 3.06Å; C79-R157 PolarHBondContact O-NH2 3.29Å
80	D	81.2	Confident	78.9	Confident	46 Å²	46	40.9 Å²	40.9	25%	0.246	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.8	50.3	-164.4	-168.5	41.2	0	0	0	110.8	R48 C76	R48-D80 IonicContact CZ-OD1 3.81Å; R48-D80 VanDerWaalsContact CZ-OD1 3.28Å; R48-D80 IonicContact NH1-OD1 3.71Å; R48-D80 PolarHBondContact NH1-OD1 2.93Å; R48-D80 IonicContact NH2-OD1 3.6Å; R48-D80 PolarHBondContact NH2-OD1 3.08Å; C76-D80 VanDerWaalsContact O-CA 3.31Å; C76-D80 WeakPolarHBondContact O-CA 3.25Å; C76-D80 PolarHBondContact O-N 2.81Å
81	D	74.8	Confident	78.8	Confident	15 Å²	15	40.3 Å²	40.3	8%	0.08	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	153.9	-167.1	-156.7	-1.6	0	0	0	112.5	C76 C79 R150	C76-D81 PolarHBondContact N-O 3.37Å; C76-D81 PolarHBondContact O-N 2.83Å; C79-D81 HydrophobicContact CB-CB 3.85Å; C79-D81 PolarHBondContact O-N 3.06Å; D81-R150 VanDerWaalsContact CG-CG 3.47Å; D81-R150 VanDerWaalsContact OD1-CA 3.29Å; D81-R150 WeakPolarHBondContact OD1-CA 3.27Å; D81-R150 WeakPolarHBondContact OD1-CB 3.11Å; D81-R150 WeakPolarHBondContact OD1-CD 3.31Å; D81-R150 WeakPolarHBondContact OD1-CG 3.29Å; D81-R150 WeakPolarHBondContact OD2-CD 3.37Å; D81-R150 WeakPolarHBondContact OD2-CG 3.25Å; D81-R150 IonicContact OD2-CZ 3.74Å; D81-R150 IonicContact OD2-NE 2.67Å; D81-R150 PolarHBondContact OD2-NE 3.31Å; D81-R150 IonicContact OD2-NH2 3.95Å
82	Y	81.5	Confident	78.8	Confident	29 Å²	29	35.9 Å²	35.9	11%	0.114	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	141.9	173.7	-74	-97.4	0	0	0	111.5	W36 Y73 V74 F75 A146 H149	W36-Y82 AromaticContact CH2-CE1 3.82Å; W36-Y82 HydrophobicContact CH2-CE1 3.82Å; Y73-Y82 HydrophobicContact CG-CE1 4.37Å; V74-Y82 WeakPolarHBondContact O-CA 3.4Å; F75-Y82 HydrophobicContact CD2-CD1 4.11Å; F75-Y82 AromaticContact CD2-CD2 3.7Å; F75-Y82 HydrophobicContact CD2-CD2 3.7Å; F75-Y82 HydrophobicContact CD2-CE1 4.14Å; F75-Y82 AromaticContact CD2-CE2 3.69Å; F75-Y82 HydrophobicContact CD2-CE2 3.69Å; F75-Y82 AromaticContact CD2-CG 3.91Å; F75-Y82 HydrophobicContact CD2-CG 3.91Å; F75-Y82 AromaticContact CD2-CZ 3.93Å; F75-Y82 AromaticContact CE2-CD2 3.89Å; F75-Y82 HydrophobicContact CE2-CD2 3.89Å; F75-Y82 AromaticContact CE2-CE2 3.87Å; F75-Y82 HydrophobicContact CE2-CE2 3.87Å; F75-Y82 HydrophobicContact CE2-CG 4.5Å; Y82-A146 HydrophobicContact CD1-CB 4.07Å; Y82-A146 HydrophobicContact CG-CB 3.82Å; Y82-H149 HydrophobicContact CD2-CB 3.52Å; Y82-H149 HydrophobicContact CE2-CB 3.26Å; Y82-H149 AromaticContact CE2-CD2 3.83Å; Y82-H149 AromaticContact CE2-CG 3.54Å
83	V	81.2	Confident	78.6	Confident	7 Å²	7	42 Å²	42	4%	0.042	24%	0.239	C	C	.	.			trans	-87.5	120.1	179.5	168.1	0	0	0	0	110	C4 V7 L65 V74 C76 N85 L92	C4-V83 HydrophobicContact CB-CG2 4.03Å; V7-V83 HydrophobicContact CG2-CB 4.16Å; V7-V83 HydrophobicContact CG2-CG1 3.28Å; V7-V83 HydrophobicContact CG2-CG2 3.76Å; L65-V83 HydrophobicContact CD2-CG2 3.76Å; V74-V83 HydrophobicContact CB-CB 3.91Å; V74-V83 HydrophobicContact CB-CG1 4.4Å; V74-V83 HydrophobicContact CG1-CB 3.79Å; V74-V83 HydrophobicContact CG1-CG1 4.26Å; V74-V83 HydrophobicContact CG1-CG2 3.94Å; V74-V83 PolarHBondContact O-N 3.46Å; C76-V83 HydrophobicContact CB-CG2 3.72Å; V83-N85 VanDerWaalsContact CG1-O 3.27Å; V83-N85 WeakPolarHBondContact CG1-O 3.12Å; V83-L92 HydrophobicContact CG1-CD1 4.38Å
84	L	70.8	Confident	78.4	Confident	43 Å²	43	45.3 Å²	45.3	23%	0.225	26%	0.26	C	S	.	.			trans	-107.5	-10.7	-178.6	-59.3	170.1	0	0	0	113.5	M143 A146 L147	L84-M143 HydrophobicContact CB-CG 4.41Å; L84-M143 HydrophobicContact CD2-CG 3.71Å; L84-M143 WeakPolarHBondContact CD2-O 3.36Å; L84-A146 HydrophobicContact CD2-CB 3.35Å; L84-A146 HydrophobicContact CG-CB 4.45Å; L84-L147 HydrophobicContact CD1-CD1 4.38Å; L84-L147 HydrophobicContact CD1-CD2 3.32Å; L84-L147 HydrophobicContact CD1-CG 3.51Å; L84-L147 HydrophobicContact CD2-CG 4.07Å; L84-L147 HydrophobicContact CG-CG 4.46Å
85	N	73.4	Confident	78	Confident	29 Å²	29	45.8 Å²	45.8	16%	0.155	26%	0.262	C	S	.	.	S	Bend	trans	-106.2	142.5	-179.9	59.2	-68.8	0	0	0	110.4	R3 C4 V83	R3-N85 HydrophobicContact CB-CB 4.24Å; R3-N85 HydrophobicContact CG-CB 4.19Å; C4-N85 WeakPolarHBondContact CB-OD1 3.48Å; C4-N85 PolarHBondContact N-OD1 3.45Å; C4-N85 PolarHBondContact O-ND2 2.8Å; C4-N85 VanDerWaalsContact O-ND2 3.11Å; V83-N85 VanDerWaalsContact CG1-O 3.27Å; V83-N85 WeakPolarHBondContact CG1-O 3.12Å
86	D	74.2	Confident	77.6	Confident	69 Å²	69	46.9 Å²	46.9	37%	0.369	27%	0.265	S	S	.	.			trans	-76.8	161.7	165.8	-66.1	-26.4	0	0	0	110.7	R96	D86-R96 IonicContact OD1-CZ 2.74Å; D86-R96 IonicContact OD1-NH1 3.79Å; D86-R96 PolarHBondContact OD1-NH1 2.9Å; D86-R96 IonicContact OD1-NH2 2.65Å
87	N	76.3	Confident	76.9	Confident	9 Å²	9	50.2 Å²	50.2	5%	0.048	29%	0.289	C	S	.	.			trans	-77.1	152.3	168.4	59.3	-6.7	0	0	0	110.1	V7 T89 G90 D91 L92	V7-N87 HydrophobicContact CG1-CB 3.72Å; V7-N87 WeakPolarHBondContact O-CB 3.36Å; N87-T89 PolarHBondContact ND2-OG1 3.36Å; N87-T89 PolarHBondContact O-N 3.13Å; N87-G90 PolarHBondContact O-N 2.97Å; N87-G90 VanDerWaalsContact OD1-C 3.31Å; N87-G90 WeakPolarHBondContact OD1-CA 3.16Å; N87-G90 PolarHBondContact OD1-N 3.09Å; N87-G90 VanDerWaalsContact OD1-N 3.13Å; N87-D91 WeakPolarHBondContact ND2-CB 3.48Å; N87-D91 PolarHBondContact ND2-OD2 3.37Å; N87-D91 PolarHBondContact OD1-N 3.35Å; N87-L92 PolarHBondContact OD1-N 3.38Å
88	A	66.1	Low	76.3	Confident	115 Å²	115	51.8 Å²	51.8	95%	0.95	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.8	-177.5	0	0	0	0	0	112.9	G90	A88-G90 VanDerWaalsContact C-N 3.31Å
89	T	71.4	Confident	75.9	Confident	104 Å²	104	47.4 Å²	47.4	64%	0.638	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.7	174.1	45.3	0	0	0	0	113.4	N87 D91	N87-T89 PolarHBondContact ND2-OG1 3.36Å; N87-T89 PolarHBondContact O-N 3.13Å; T89-D91 VanDerWaalsContact C-N 3.34Å; T89-D91 WeakPolarHBondContact CB-OD2 3.33Å; T89-D91 PolarHBondContact OG1-OD2 3.03Å
90	G	72.4	Confident	75.6	Confident	25 Å²	25	47.5 Å²	47.5	26%	0.258	28%	0.278	S	S	.	.			trans	79.7	7.4	178.1	0	0	0	0	0	115.3	N87 A88 L92 K93 L94	N87-G90 PolarHBondContact O-N 2.97Å; N87-G90 VanDerWaalsContact OD1-C 3.31Å; N87-G90 WeakPolarHBondContact OD1-CA 3.16Å; N87-G90 PolarHBondContact OD1-N 3.09Å; N87-G90 VanDerWaalsContact OD1-N 3.13Å; A88-G90 VanDerWaalsContact C-N 3.31Å; G90-L92 VanDerWaalsContact C-N 3.29Å; G90-L92 PolarHBondContact O-N 2.9Å; G90-K93 WeakPolarHBondContact O-CB 3.31Å; G90-K93 PolarHBondContact O-N 3.34Å; G90-L94 PolarHBondContact O-N 3.4Å
91	D	74.6	Confident	75.2	Confident	50 Å²	50	47.2 Å²	47.2	27%	0.267	28%	0.283	S	S	.	.	H	α-helix	trans	-59.1	-37.5	-178.4	-46.3	-53.2	0	0	0	112.7	L12 N87 T89 L94 L95	L12-D91 HydrophobicContact CD1-CB 3.83Å; N87-D91 WeakPolarHBondContact ND2-CB 3.48Å; N87-D91 PolarHBondContact ND2-OD2 3.37Å; N87-D91 PolarHBondContact OD1-N 3.35Å; T89-D91 VanDerWaalsContact C-N 3.34Å; T89-D91 WeakPolarHBondContact CB-OD2 3.33Å; T89-D91 PolarHBondContact OG1-OD2 3.03Å; D91-L94 PolarHBondContact O-N 3.2Å; D91-L95 VanDerWaalsContact O-CB 3.25Å; D91-L95 WeakPolarHBondContact O-CB 3.46Å; D91-L95 PolarHBondContact O-N 2.85Å
92	L	77.7	Confident	75	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-40.2	175.1	-79.5	180	0	0	0	111.9	V7 L10 L39 M67 V74 V83 N87 G90 L95 R96	V7-L92 HydrophobicContact CG1-CD1 3.52Å; V7-L92 HydrophobicContact CG2-CD1 4.48Å; L10-L92 HydrophobicContact CD2-CD1 4.4Å; L10-L92 HydrophobicContact CD2-CD2 3.74Å; L10-L92 HydrophobicContact CD2-CG 3.76Å; L39-L92 HydrophobicContact CD1-CD2 3.61Å; M67-L92 HydrophobicContact CE-CD2 3.76Å; V74-L92 HydrophobicContact CG2-CD2 4.11Å; V83-L92 HydrophobicContact CG1-CD1 4.38Å; N87-L92 PolarHBondContact OD1-N 3.38Å; G90-L92 VanDerWaalsContact C-N 3.29Å; G90-L92 PolarHBondContact O-N 2.9Å; L92-L95 PolarHBondContact O-N 3.49Å; L92-R96 WeakPolarHBondContact O-CG 3.24Å; L92-R96 PolarHBondContact O-N 3.49Å
93	K	76.6	Confident	74.2	Confident	132 Å²	132	49.8 Å²	49.8	57%	0.574	30%	0.296	S	S	*	.	H	α-helix	trans	-66.9	-40.4	177.5	-172.6	175.8	-179.3	178.2	0	111.1	G90 S97	G90-K93 WeakPolarHBondContact O-CB 3.31Å; G90-K93 PolarHBondContact O-N 3.34Å; K93-S97 WeakPolarHBondContact O-CB 3.5Å; K93-S97 PolarHBondContact O-N 3.44Å; K93-S97 PolarHBondContact O-OG 3.49Å
94	L	78.8	Confident	73.5	Confident	112 Å²	112	54 Å²	54	59%	0.586	33%	0.325	S	S	*	.	H	α-helix	trans	-63	-46.5	173.2	-176.7	61.9	0	0	0	110.8	G90 D91 R96 S97 T98	G90-L94 PolarHBondContact O-N 3.4Å; D91-L94 PolarHBondContact O-N 3.2Å; L94-R96 PolarHBondContact O-N 2.87Å; L94-S97 WeakPolarHBondContact O-CB 3.44Å; L94-S97 PolarHBondContact O-N 3.47Å; L94-S97 VanDerWaalsContact O-N 3.15Å; L94-T98 WeakPolarHBondContact O-CB 3.11Å; L94-T98 PolarHBondContact O-N 3.19Å; L94-T98 PolarHBondContact O-OG1 3.43Å
95	L	77.3	Confident	72.7	Confident	11 Å²	11	56.9 Å²	56.9	6%	0.058	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-43.6	179.9	-165.2	65.9	0	0	0	112	L12 I18 L19 L39 M67 D91 L92 S97 T98 L99	L12-L95 HydrophobicContact CD2-CD2 4.13Å; I18-L95 HydrophobicContact CD1-CD2 4Å; I18-L95 HydrophobicContact CD1-CG 4.44Å; I18-L95 HydrophobicContact CG2-CD1 3.86Å; L19-L95 HydrophobicContact CD2-CD1 3.92Å; L19-L95 HydrophobicContact CG-CD1 4.48Å; L39-L95 HydrophobicContact CD2-CD2 3.61Å; M67-L95 HydrophobicContact CE-CB 4.44Å; M67-L95 HydrophobicContact CE-CD2 3.77Å; M67-L95 HydrophobicContact CE-CG 4.28Å; M67-L95 HydrophobicContact SD-CD2 3.89Å; M67-L95 HydrophobicContact SD-CG 4.17Å; D91-L95 VanDerWaalsContact O-CB 3.25Å; D91-L95 WeakPolarHBondContact O-CB 3.46Å; D91-L95 PolarHBondContact O-N 2.85Å; L92-L95 PolarHBondContact O-N 3.49Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 2.96Å; L95-T98 PolarHBondContact O-N 3.48Å; L95-L99 HydrophobicContact CG-CD1 4.09Å; L95-L99 WeakPolarHBondContact O-CB 3.46Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.29Å; L95-L99 PolarHBondContact O-N 3.38Å
96	R	80.8	Confident	70.9	Confident	40 Å²	40	65.6 Å²	65.6	15%	0.151	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-42	173.9	-68.3	-165.5	-168.1	102.5	0	112.1	M67 L72 D86 L92 L94 S100	M67-R96 HydrophobicContact CE-CG 4.05Å; L72-R96 HydrophobicContact CB-CG 4.12Å; L72-R96 HydrophobicContact CD1-CB 4.04Å; L72-R96 HydrophobicContact CD1-CG 4.36Å; L72-R96 WeakPolarHBondContact CD1-O 3.42Å; L72-R96 PolarHBondContact O-NE 2.85Å; D86-R96 IonicContact OD1-CZ 2.74Å; D86-R96 IonicContact OD1-NH1 3.79Å; D86-R96 PolarHBondContact OD1-NH1 2.9Å; D86-R96 IonicContact OD1-NH2 2.65Å; L92-R96 WeakPolarHBondContact O-CG 3.24Å; L92-R96 PolarHBondContact O-N 3.49Å; L94-R96 PolarHBondContact O-N 2.87Å; R96-S100 VanDerWaalsContact O-CB 3.29Å; R96-S100 WeakPolarHBondContact O-CB 3.47Å; R96-S100 PolarHBondContact O-N 3.3Å
97	S	73.6	Confident	69.4	Low	70 Å²	70	69.3 Å²	69.3	49%	0.49	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-44.6	177.9	-56.2	0	0	0	0	111.5	K93 L94 L95 S100 A101	K93-S97 WeakPolarHBondContact O-CB 3.5Å; K93-S97 PolarHBondContact O-N 3.44Å; K93-S97 PolarHBondContact O-OG 3.49Å; L94-S97 WeakPolarHBondContact O-CB 3.44Å; L94-S97 PolarHBondContact O-N 3.47Å; L94-S97 VanDerWaalsContact O-N 3.15Å; L95-S97 VanDerWaalsContact C-N 3.34Å; L95-S97 PolarHBondContact O-N 2.96Å; S97-S100 PolarHBondContact O-N 3.23Å; S97-A101 PolarHBondContact O-N 2.68Å
98	T	74.3	Confident	67.4	Low	51 Å²	51	78.4 Å²	78.4	31%	0.313	42%	0.42	S	S	.	.	H	α-helix	trans	-66.7	-43.4	178.5	-55.2	0	0	0	0	111.9	L19 L94 L95 A101 I102	L19-T98 HydrophobicContact CD2-CG2 3.72Å; L94-T98 WeakPolarHBondContact O-CB 3.11Å; L94-T98 PolarHBondContact O-N 3.19Å; L94-T98 PolarHBondContact O-OG1 3.43Å; L95-T98 PolarHBondContact O-N 3.48Å; T98-A101 WeakPolarHBondContact O-CB 3.41Å; T98-A101 PolarHBondContact O-N 3.15Å; T98-I102 HydrophobicContact CG2-CD1 4.03Å; T98-I102 VanDerWaalsContact O-CG1 3.31Å; T98-I102 WeakPolarHBondContact O-CG1 3.46Å; T98-I102 PolarHBondContact O-N 3.33Å
99	L	74.8	Confident	65.9	Low	0 Å²	0	76.4 Å²	76.4	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-67	-39.1	177.2	-70.5	169.4	0	0	0	112.2	I18 L19 W24 M67 L72 L95 A101 I102 Q103	I18-L99 HydrophobicContact CD1-CD1 3.7Å; I18-L99 HydrophobicContact CG1-CD1 3.86Å; I18-L99 HydrophobicContact CG1-CD2 4.04Å; I18-L99 WeakPolarHBondContact O-CD2 3.14Å; L19-L99 HydrophobicContact CD2-CD2 4.09Å; L19-L99 HydrophobicContact CD2-CG 4.41Å; W24-L99 HydrophobicContact CZ2-CD2 3.98Å; M67-L99 HydrophobicContact SD-CD1 3.54Å; M67-L99 VanDerWaalsContact SD-CD1 3.54Å; L72-L99 HydrophobicContact CD1-CB 4.47Å; L72-L99 HydrophobicContact CD2-CB 3.69Å; L72-L99 HydrophobicContact CD2-CD1 3.8Å; L72-L99 HydrophobicContact CD2-CG 4.4Å; L95-L99 HydrophobicContact CG-CD1 4.09Å; L95-L99 WeakPolarHBondContact O-CB 3.46Å; L95-L99 VanDerWaalsContact O-CG 3.26Å; L95-L99 WeakPolarHBondContact O-CG 3.29Å; L95-L99 PolarHBondContact O-N 3.38Å; L99-A101 VanDerWaalsContact C-N 3.26Å; L99-A101 PolarHBondContact O-N 3.2Å; L99-I102 HydrophobicContact CD2-CD1 4.45Å; L99-I102 PolarHBondContact O-N 2.81Å; L99-Q103 WeakPolarHBondContact O-CG 3.31Å; L99-Q103 PolarHBondContact O-N 2.8Å
100	S	75.4	Confident	64	Low	40 Å²	40	77.8 Å²	77.8	28%	0.28	41%	0.405	S	S	.	.	H	α-helix	trans	-62.6	-35.8	172.9	-166	0	0	0	0	111.7	R96 S97 S104	R96-S100 VanDerWaalsContact O-CB 3.29Å; R96-S100 WeakPolarHBondContact O-CB 3.47Å; R96-S100 PolarHBondContact O-N 3.3Å; S97-S100 PolarHBondContact O-N 3.23Å; S100-S104 PolarHBondContact O-N 2.92Å
101	A	73.4	Confident	62.1	Low	41 Å²	41	80.6 Å²	80.6	34%	0.339	42%	0.417	S	S	.	.	H	α-helix	trans	-68.3	-42.6	173.7	0	0	0	0	0	112	S97 T98 L99 S104 Q105	S97-A101 PolarHBondContact O-N 2.68Å; T98-A101 WeakPolarHBondContact O-CB 3.41Å; T98-A101 PolarHBondContact O-N 3.15Å; L99-A101 VanDerWaalsContact C-N 3.26Å; L99-A101 PolarHBondContact O-N 3.2Å; A101-S104 PolarHBondContact O-N 3.01Å; A101-S104 PolarHBondContact O-OG 3.2Å; A101-Q105 WeakPolarHBondContact O-CG 3.39Å; A101-Q105 PolarHBondContact O-N 2.9Å
102	I	69.9	Low	60.4	Low	24 Å²	24	91 Å²	91	12%	0.123	45%	0.452	C	S	.	.	H	α-helix	trans	-62.7	-43.2	176.3	-68.7	164.8	0	0	0	111.2	L19 P21 W24 T98 L99 S104 Q105	L19-I102 HydrophobicContact CB-CD1 4.31Å; L19-I102 HydrophobicContact CD2-CD1 3.95Å; P21-I102 HydrophobicContact CG-CG2 3.42Å; P21-I102 VanDerWaalsContact CG-CG2 3.42Å; W24-I102 HydrophobicContact CH2-CG2 4.27Å; W24-I102 HydrophobicContact CZ2-CG2 4.31Å; T98-I102 HydrophobicContact CG2-CD1 4.03Å; T98-I102 VanDerWaalsContact O-CG1 3.31Å; T98-I102 WeakPolarHBondContact O-CG1 3.46Å; T98-I102 PolarHBondContact O-N 3.33Å; L99-I102 HydrophobicContact CD2-CD1 4.45Å; L99-I102 PolarHBondContact O-N 2.81Å; I102-S104 PolarHBondContact O-N 3.03Å; I102-Q105 PolarHBondContact O-N 3.45Å
103	Q	66.1	Low	58.6	Low	74 Å²	74	95.3 Å²	95.3	35%	0.346	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-31.2	175.3	-72.9	177.5	-1.2	0	0	112.9	W24 V69 N70 L99 Q105	W24-Q103 HydrophobicContact CH2-CG 3.92Å; W24-Q103 HydrophobicContact CZ3-CG 4.26Å; V69-Q103 PolarHBondContact O-NE2 3.19Å; N70-Q103 PolarHBondContact O-NE2 3.16Å; L99-Q103 WeakPolarHBondContact O-CG 3.31Å; L99-Q103 PolarHBondContact O-N 2.8Å; Q103-Q105 VanDerWaalsContact C-N 3.33Å
104	S	65	Low	56.6	Low	94 Å²	94	92.4 Å²	92.4	66%	0.657	49%	0.491	S	S	*	.	H	α-helix	trans	-78.2	-16.2	178.8	74.6	0	0	0	0	113.8	S100 A101 I102	S100-S104 PolarHBondContact O-N 2.92Å; A101-S104 PolarHBondContact O-N 3.01Å; A101-S104 PolarHBondContact O-OG 3.2Å; I102-S104 PolarHBondContact O-N 3.03Å
105	Q	54.7	Low	54.3	Low	105 Å²	105	97.2 Å²	97.2	49%	0.491	50%	0.501	S	S	.	.	S	Bend	trans	-94.1	122.8	178.9	-70	176.5	3.7	0	0	110.4	A101 I102 Q103 Y107	A101-Q105 WeakPolarHBondContact O-CG 3.39Å; A101-Q105 PolarHBondContact O-N 2.9Å; I102-Q105 PolarHBondContact O-N 3.45Å; Q103-Q105 VanDerWaalsContact C-N 3.33Å; Q105-Y107 HydrophobicContact CB-CD2 4.41Å; Q105-Y107 HydrophobicContact CB-CE2 4.06Å; Q105-Y107 PolarHBondContact O-N 3.06Å; Q105-Y107 VanDerWaalsContact O-N 3.11Å
106	R	36.1	Very low	52.1	Low	212 Å²	212	103 Å²	103	80%	0.8	54%	0.537	S	S	*	.			trans	-70.8	102.7	174.7	-71.9	-176.6	177.7	175.6	0.1	109.9
107	Y	41.8	Very low	49.6	Very low	146 Å²	146	108.2 Å²	108.2	57%	0.573	57%	0.567	S	S	*	*			trans	-90.6	116.5	164.3	-77.4	-85	0	0	0	110	Q105	Q105-Y107 HydrophobicContact CB-CD2 4.41Å; Q105-Y107 HydrophobicContact CB-CE2 4.06Å; Q105-Y107 PolarHBondContact O-N 3.06Å; Q105-Y107 VanDerWaalsContact O-N 3.11Å
108	E	35.2	Very low	47.5	Very low	200 Å²	200	116.5 Å²	116.5	94%	0.935	59%	0.588	S	S	*	*			trans	-83.6	104.7	158.4	-74.8	-173.5	168.9	0	0	107.6
109	V	34.2	Very low	45.4	Very low	73 Å²	73	118.7 Å²	118.7	44%	0.442	61%	0.605	S	S	.	*			trans	-120.7	113.8	169	178.4	0	0	0	0	108.5	Q22	Q22-V109 HydrophobicContact CG-CG1 4.06Å; Q22-V109 HydrophobicContact CG-CG2 4.38Å
110	T	30.9	Very low	43.3	Very low	133 Å²	133	123.6 Å²	123.6	82%	0.816	65%	0.646	S	S	*	*			trans	-81.1	125	168.2	46.8	0	0	0	0	110.1
111	T	33.2	Very low	41.2	Very low	84 Å²	84	125.7 Å²	125.7	52%	0.515	66%	0.66	S	S	.	*			trans	-88.4	157.1	167.4	59.9	0	0	0	0	110.8	S113 G114	T111-S113 PolarHBondContact O-N 2.87Å; T111-G114 PolarHBondContact O-N 3.02Å; T111-G114 VanDerWaalsContact O-N 3.12Å
112	R	38.2	Very low	39.3	Very low	268 Å²	268	133.1 Å²	133.1	100%	1.011	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	8.6	-174.7	-147.6	-179.9	-178.8	-165.1	0.6	115.2
113	S	40.3	Very low	37.4	Very low	91 Å²	91	135.9 Å²	135.9	64%	0.636	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	4.2	174.4	70.7	0	0	0	0	114.1	T111 R115	T111-S113 PolarHBondContact O-N 2.87Å; S113-R115 VanDerWaalsContact C-N 3.27Å; S113-R115 PolarHBondContact O-N 3.36Å
114	G	34.7	Very low	35.7	Very low	72 Å²	72	137 Å²	137	74%	0.742	74%	0.735	S	S	*	*			trans	67	19.3	171.3	0	0	0	0	0	115.4	T111	T111-G114 PolarHBondContact O-N 3.02Å; T111-G114 VanDerWaalsContact O-N 3.12Å
115	R	31.1	Very low	34	Very low	212 Å²	212	140.2 Å²	140.2	80%	0.8	75%	0.745	S	S	*	*			trans	-103.3	114.2	171.8	-73.5	-174.6	-178.4	174.8	1.9	111	S113 L117	S113-R115 VanDerWaalsContact C-N 3.27Å; S113-R115 PolarHBondContact O-N 3.36Å; R115-L117 PolarHBondContact O-N 3.5Å
116	T	29.4	Very low	32.8	Very low	134 Å²	134	139.8 Å²	139.8	82%	0.822	76%	0.76	S	S	*	*			trans	-73.5	117.5	172.2	-38.4	0	0	0	0	110
117	L	29.3	Very low	32.8	Very low	149 Å²	149	138 Å²	138	78%	0.78	77%	0.765	S	S	*	*			trans	-75.8	120.8	167	-82.3	164.3	0	0	0	108.7	R115 S119	R115-L117 PolarHBondContact O-N 3.5Å; L117-S119 PolarHBondContact O-N 3.2Å
118	R	29.6	Very low	32.2	Very low	243 Å²	243	138.7 Å²	138.7	92%	0.917	78%	0.777	S	S	*	*			trans	-74.8	110.1	177.3	-66.7	-176.4	-169.7	-170.8	2.7	109.3
119	S	30.7	Very low	32.5	Very low	98 Å²	98	135 Å²	135	69%	0.685	77%	0.77	S	S	*	*			trans	-69.5	124	155.6	32.8	0	0	0	0	108.7	L117 S121	L117-S119 PolarHBondContact O-N 3.2Å; S119-S121 VanDerWaalsContact C-N 3.35Å; S119-S121 PolarHBondContact O-N 3.21Å; S119-S121 PolarHBondContact O-OG 3.09Å
120	A	31	Very low	32.2	Very low	103 Å²	103	136.4 Å²	136.4	85%	0.851	78%	0.783	S	S	*	*			trans	-62.9	95.5	173.2	0	0	0	0	0	109	F122	A120-F122 PolarHBondContact O-N 3.1Å
121	S	31.1	Very low	32.3	Very low	83 Å²	83	133.4 Å²	133.4	58%	0.58	78%	0.778	S	S	*	*			trans	-83.7	115	179.8	-64.4	0	0	0	0	110	S119 G123	S119-S121 VanDerWaalsContact C-N 3.35Å; S119-S121 PolarHBondContact O-N 3.21Å; S119-S121 PolarHBondContact O-OG 3.09Å; S121-G123 PolarHBondContact O-N 3.38Å
122	F	33.4	Very low	32.1	Very low	198 Å²	198	133 Å²	133	87%	0.868	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-52.7	127.7	150.4	-83.4	-99.8	0	0	0	109.1	A120 S124	A120-F122 PolarHBondContact O-N 3.1Å; F122-S124 PolarHBondContact O-N 2.84Å
123	G	29.2	Very low	31.8	Very low	81 Å²	81	124 Å²	124	84%	0.835	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-71.4	116.5	171	0	0	0	0	0	110.2	S121	S121-G123 PolarHBondContact O-N 3.38Å
124	S	31.4	Very low	31.3	Very low	98 Å²	98	126.4 Å²	126.4	69%	0.685	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-82.6	127	167.9	170	0	0	0	0	109.1	F122	F122-S124 PolarHBondContact O-N 2.84Å
125	D	28.7	Very low	31.4	Very low	161 Å²	161	128 Å²	128	86%	0.861	75%	0.753	S	S	*	*			trans	-164.4	99.1	135	-103.5	-9	0	0	0	109.8
126	A	29	Very low	31.5	Very low	97 Å²	97	124.6 Å²	124.6	80%	0.802	75%	0.746	S	S	*	*			trans	172.7	113.2	143.9	0	0	0	0	0	109
127	L	35.7	Very low	31.6	Very low	173 Å²	173	123.5 Å²	123.5	91%	0.906	74%	0.735	S	S	*	*			trans	-66.7	125.1	172	-74.3	98.4	0	0	0	111.3
128	I	31	Very low	32	Very low	161 Å²	161	124.2 Å²	124.2	83%	0.826	73%	0.727	S	S	*	*			trans	-153.3	139.1	145.7	-67	-156	0	0	0	108.8
129	P	39.6	Very low	32.3	Very low	122 Å²	122	116.8 Å²	116.8	79%	0.792	71%	0.706	S	S	*	*			trans	-93.5	130.1	-172.5	34.3	-28.8	0	0	0	113.4
130	C	29.5	Very low	32.6	Very low	104 Å²	104	118.1 Å²	118.1	70%	0.703	70%	0.701	S	S	*	*			trans	-161.5	77.7	158.2	-157.5	0	0	0	0	112.1	A132	C130-A132 PolarHBondContact O-N 3.31Å
131	G	32.2	Very low	33	Very low	69 Å²	69	118.5 Å²	118.5	71%	0.711	69%	0.689	S	S	*	*			trans	-82.1	10.6	-168.3	0	0	0	0	0	117.9
132	A	29.5	Very low	33.7	Very low	76 Å²	76	116.2 Å²	116.2	63%	0.628	67%	0.667	S	S	*	*	S	Bend	trans	-107	-32.5	-174.6	0	0	0	0	0	114.4	C130	C130-A132 PolarHBondContact O-N 3.31Å
133	S	31.2	Very low	34.1	Very low	78 Å²	78	110.9 Å²	110.9	55%	0.545	65%	0.646	S	S	.	*	H	α-helix	trans	-88.6	-24.3	-170	-154.3	0	0	0	0	114.4
134	E	30.9	Very low	34.5	Very low	143 Å²	143	112.6 Å²	112.6	67%	0.668	63%	0.631	S	S	*	*	H	α-helix	trans	-78.6	-33.2	178.2	-92.9	-171.2	141.5	0	0	113.4	Q136 L137 R138	E134-Q136 VanDerWaalsContact C-N 3.32Å; E134-Q136 PolarHBondContact O-N 3.01Å; E134-L137 PolarHBondContact O-N 3.03Å; E134-R138 PolarHBondContact O-N 3.49Å
135	L	35.6	Very low	35	Very low	104 Å²	104	110.5 Å²	110.5	55%	0.545	61%	0.614	S	S	.	*	H	α-helix	trans	-67	-35	177.4	-94.8	153.1	0	0	0	111.8	R138 D139	L135-R138 PolarHBondContact O-N 2.88Å; L135-D139 PolarHBondContact O-N 3.31Å
136	Q	33.6	Very low	35.3	Very low	142 Å²	142	103 Å²	103	66%	0.664	58%	0.575	S	S	*	*	H	α-helix	trans	-74.1	-29.7	-179	-152.9	166.2	7.7	0	0	112.9	E134 E140	E134-Q136 VanDerWaalsContact C-N 3.32Å; E134-Q136 PolarHBondContact O-N 3.01Å; Q136-E140 WeakPolarHBondContact O-CG 3.47Å; Q136-E140 PolarHBondContact O-N 3.48Å
137	L	30.8	Very low	35.9	Very low	111 Å²	111	101.3 Å²	101.3	58%	0.581	55%	0.552	S	S	*	*	H	α-helix	trans	-72.8	-35.4	174.4	-78.8	159.1	0	0	0	112.3	E134 D141	E134-L137 PolarHBondContact O-N 3.03Å; L137-D141 PolarHBondContact O-N 3.05Å
138	R	39.1	Very low	36.2	Very low	164 Å²	164	97.1 Å²	97.1	62%	0.619	52%	0.524	S	S	*	.	H	α-helix	trans	-70.1	-34.3	176.1	-72.8	-173.4	-177.1	-128.8	3.8	113.3	E134 L135 R142	E134-R138 PolarHBondContact O-N 3.49Å; L135-R138 PolarHBondContact O-N 2.88Å; R138-R142 WeakPolarHBondContact O-CD 3.42Å; R138-R142 VanDerWaalsContact O-CG 3.24Å; R138-R142 WeakPolarHBondContact O-CG 3.48Å; R138-R142 PolarHBondContact O-N 2.98Å
139	D	35.6	Very low	36.7	Very low	87 Å²	87	91.6 Å²	91.6	47%	0.465	50%	0.495	S	S	.	.	H	α-helix	trans	-70.9	-34.8	177.4	-98.7	-7.9	0	0	0	112.6	L135 R142 M143	L135-D139 PolarHBondContact O-N 3.31Å; D139-R142 PolarHBondContact O-N 3.17Å; D139-M143 PolarHBondContact O-N 3.1Å
140	E	37.2	Very low	36.6	Very low	125 Å²	125	88 Å²	88	58%	0.584	47%	0.465	S	S	*	.	H	α-helix	trans	-66.9	-43.8	175.3	-75.7	-82.1	137.4	0	0	112.2	Q136 R142 M143 F144	Q136-E140 WeakPolarHBondContact O-CG 3.47Å; Q136-E140 PolarHBondContact O-N 3.48Å; E140-R142 VanDerWaalsContact C-N 3.29Å; E140-R142 PolarHBondContact O-N 3.11Å; E140-M143 PolarHBondContact O-N 2.97Å; E140-F144 PolarHBondContact O-N 3.07Å; E140-F144 VanDerWaalsContact O-N 3.17Å
141	D	39.8	Very low	37.1	Very low	112 Å²	112	90.3 Å²	90.3	60%	0.599	46%	0.459	S	S	*	.	H	α-helix	trans	-65.3	-32.8	177.7	-79.3	-19.1	0	0	0	112.4	L137 T145	L137-D141 PolarHBondContact O-N 3.05Å; D141-T145 PolarHBondContact O-N 3.32Å; D141-T145 PolarHBondContact O-OG1 3.17Å
142	R	44.1	Very low	37.6	Very low	34 Å²	34	94.4 Å²	94.4	13%	0.128	45%	0.453	C	S	.	.	H	α-helix	trans	-70.2	-40.6	176.8	-76.6	171.2	173.5	179.9	-9.2	112.3	E71 Y73 R138 D139 E140 F144 T145 A146	E71-R142 WeakPolarHBondContact O-CD 3.33Å; E71-R142 VanDerWaalsContact O-CZ 3.3Å; E71-R142 PolarHBondContact O-NE 3.36Å; Y73-R142 HydrophobicContact CD1-CB 4.34Å; Y73-R142 HydrophobicContact CE1-CB 3.61Å; Y73-R142 HydrophobicContact CE1-CG 3.7Å; Y73-R142 VanDerWaalsContact CE1-O 3.31Å; Y73-R142 WeakPolarHBondContact CE1-O 3.39Å; R138-R142 WeakPolarHBondContact O-CD 3.42Å; R138-R142 VanDerWaalsContact O-CG 3.24Å; R138-R142 WeakPolarHBondContact O-CG 3.48Å; R138-R142 PolarHBondContact O-N 2.98Å; D139-R142 PolarHBondContact O-N 3.17Å; E140-R142 VanDerWaalsContact C-N 3.29Å; E140-R142 PolarHBondContact O-N 3.11Å; R142-F144 VanDerWaalsContact C-N 3.29Å; R142-F144 PolarHBondContact O-N 3.32Å; R142-T145 PolarHBondContact O-N 3.4Å; R142-A146 PolarHBondContact O-N 3.16Å
143	M	42.1	Very low	38	Very low	86 Å²	86	92.1 Å²	92.1	42%	0.424	43%	0.434	S	S	.	.	H	α-helix	trans	-68.5	-30.3	179.1	-149.3	164.1	63.5	0	0	111.9	L84 D139 E140 L147	L84-M143 HydrophobicContact CB-CG 4.41Å; L84-M143 HydrophobicContact CD2-CG 3.71Å; L84-M143 WeakPolarHBondContact CD2-O 3.36Å; D139-M143 PolarHBondContact O-N 3.1Å; E140-M143 PolarHBondContact O-N 2.97Å; M143-L147 WeakPolarHBondContact O-CD1 3.42Å; M143-L147 WeakPolarHBondContact O-CG 3.46Å; M143-L147 PolarHBondContact O-N 3.35Å
144	F	38.8	Very low	38.3	Very low	118 Å²	118	92.1 Å²	92.1	52%	0.518	43%	0.428	S	S	.	.	H	α-helix	trans	-71	-39	177.7	-162.4	-95.2	0	0	0	113.5	E140 R142 L147 W148	E140-F144 PolarHBondContact O-N 3.07Å; E140-F144 VanDerWaalsContact O-N 3.17Å; R142-F144 VanDerWaalsContact C-N 3.29Å; R142-F144 PolarHBondContact O-N 3.32Å; F144-L147 WeakPolarHBondContact O-CB 3.44Å; F144-L147 PolarHBondContact O-N 3.22Å; F144-W148 PolarHBondContact O-N 3.47Å; F144-W148 VanDerWaalsContact O-N 3.1Å
145	T	40.2	Very low	38.7	Very low	54 Å²	54	89.8 Å²	89.8	33%	0.331	42%	0.419	S	S	.	.	H	α-helix	trans	-69.3	-40.8	179.2	-58	0	0	0	0	111.7	D141 R142 L147 W148 H149	D141-T145 PolarHBondContact O-N 3.32Å; D141-T145 PolarHBondContact O-OG1 3.17Å; R142-T145 PolarHBondContact O-N 3.4Å; T145-L147 PolarHBondContact O-N 2.76Å; T145-W148 WeakPolarHBondContact O-CB 2.97Å; T145-W148 PolarHBondContact O-N 3.43Å; T145-W148 VanDerWaalsContact O-N 3.17Å; T145-H149 PolarHBondContact O-CD2 3.24Å; T145-H149 PolarHBondContact O-N 3.18Å
146	A	36.1	Very low	38.7	Very low	4 Å²	4	85.9 Å²	85.9	3%	0.033	40%	0.404	C	S	.	.	H	α-helix	trans	-61.4	-39.7	172.2	0	0	0	0	0	112.9	Y82 L84 R142 W148 R150	Y82-A146 HydrophobicContact CD1-CB 4.07Å; Y82-A146 HydrophobicContact CG-CB 3.82Å; L84-A146 HydrophobicContact CD2-CB 3.35Å; L84-A146 HydrophobicContact CG-CB 4.45Å; R142-A146 PolarHBondContact O-N 3.16Å; A146-W148 VanDerWaalsContact C-N 3.3Å; A146-W148 PolarHBondContact O-N 3.36Å; A146-R150 WeakPolarHBondContact O-CB 3.12Å; A146-R150 PolarHBondContact O-N 2.7Å
147	L	42.1	Very low	39	Very low	61 Å²	61	83.6 Å²	83.6	32%	0.319	39%	0.389	S	S	.	.	H	α-helix	trans	-65.5	-29.7	173.6	-81.5	163.7	0	0	0	113.5	L84 M143 F144 T145 R151	L84-L147 HydrophobicContact CD1-CD1 4.38Å; L84-L147 HydrophobicContact CD1-CD2 3.32Å; L84-L147 HydrophobicContact CD1-CG 3.51Å; L84-L147 HydrophobicContact CD2-CG 4.07Å; L84-L147 HydrophobicContact CG-CG 4.46Å; M143-L147 WeakPolarHBondContact O-CD1 3.42Å; M143-L147 WeakPolarHBondContact O-CG 3.46Å; M143-L147 PolarHBondContact O-N 3.35Å; F144-L147 WeakPolarHBondContact O-CB 3.44Å; F144-L147 PolarHBondContact O-N 3.22Å; T145-L147 PolarHBondContact O-N 2.76Å; L147-R151 PolarHBondContact O-N 3.11Å
148	W	41.9	Very low	39.4	Very low	85 Å²	85	84 Å²	84	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-72	-47.2	179.1	-174.2	96.4	0	0	0	111.9	F144 T145 A146 R150 R151 R152	F144-W148 PolarHBondContact O-N 3.47Å; F144-W148 VanDerWaalsContact O-N 3.1Å; T145-W148 WeakPolarHBondContact O-CB 2.97Å; T145-W148 PolarHBondContact O-N 3.43Å; T145-W148 VanDerWaalsContact O-N 3.17Å; A146-W148 VanDerWaalsContact C-N 3.3Å; A146-W148 PolarHBondContact O-N 3.36Å; W148-R150 VanDerWaalsContact C-N 3.34Å; W148-R150 PolarHBondContact O-N 2.85Å; W148-R151 PolarHBondContact O-N 3.46Å; W148-R152 PolarHBondContact O-N 3.45Å
149	H	40.2	Very low	39.3	Very low	45 Å²	45	80.9 Å²	80.9	21%	0.208	38%	0.382	C	S	.	.	H	α-helix	trans	-64.6	-36.8	175.9	-76.5	-79.4	0	0	0	112.4	Y82 T145 R152 A153	Y82-H149 HydrophobicContact CD2-CB 3.52Å; Y82-H149 HydrophobicContact CE2-CB 3.26Å; Y82-H149 AromaticContact CE2-CD2 3.83Å; Y82-H149 AromaticContact CE2-CG 3.54Å; T145-H149 PolarHBondContact O-CD2 3.24Å; T145-H149 PolarHBondContact O-N 3.18Å; H149-R152 PolarHBondContact O-N 3.39Å; H149-A153 PolarHBondContact O-N 3.36Å
150	R	39	Very low	39.6	Very low	46 Å²	46	84.6 Å²	84.6	17%	0.174	39%	0.389	C	S	.	.	H	α-helix	trans	-54.6	-51.1	172.1	-179.5	163.1	-165.9	-171.3	4.8	113.2	D2 D81 A146 W148 R152 A153 L154	D2-R150 PolarHBondContact O-NH1 3.2Å; D2-R150 PolarHBondContact O-NH2 2.67Å; D81-R150 VanDerWaalsContact CG-CG 3.47Å; D81-R150 VanDerWaalsContact OD1-CA 3.29Å; D81-R150 WeakPolarHBondContact OD1-CA 3.27Å; D81-R150 WeakPolarHBondContact OD1-CB 3.11Å; D81-R150 WeakPolarHBondContact OD1-CD 3.31Å; D81-R150 WeakPolarHBondContact OD1-CG 3.29Å; D81-R150 WeakPolarHBondContact OD2-CD 3.37Å; D81-R150 WeakPolarHBondContact OD2-CG 3.25Å; D81-R150 IonicContact OD2-CZ 3.74Å; D81-R150 IonicContact OD2-NE 2.67Å; D81-R150 PolarHBondContact OD2-NE 3.31Å; D81-R150 IonicContact OD2-NH2 3.95Å; A146-R150 WeakPolarHBondContact O-CB 3.12Å; A146-R150 PolarHBondContact O-N 2.7Å; W148-R150 VanDerWaalsContact C-N 3.34Å; W148-R150 PolarHBondContact O-N 2.85Å; R150-R152 VanDerWaalsContact C-N 3.3Å; R150-R152 PolarHBondContact O-N 3.5Å; R150-A153 PolarHBondContact O-N 2.82Å; R150-L154 HydrophobicContact CG-CD1 4.02Å; R150-L154 WeakPolarHBondContact O-CG 2.99Å; R150-L154 PolarHBondContact O-N 3.12Å; R150-L154 VanDerWaalsContact O-N 3.08Å
151	R	39.7	Very low	39.8	Very low	153 Å²	153	84.4 Å²	84.4	58%	0.577	39%	0.391	S	S	*	.	H	α-helix	trans	-63.2	-37.8	179.7	-83.1	-176.6	172.6	-169	-1	111.5	L147 W148 I155	L147-R151 PolarHBondContact O-N 3.11Å; W148-R151 PolarHBondContact O-N 3.46Å; R151-I155 WeakPolarHBondContact O-CB 3.41Å; R151-I155 VanDerWaalsContact O-CD1 3.3Å; R151-I155 WeakPolarHBondContact O-CD1 3.32Å; R151-I155 WeakPolarHBondContact O-CG1 3.36Å; R151-I155 PolarHBondContact O-N 2.96Å; R151-I155 VanDerWaalsContact O-N 3.11Å
152	R	42	Very low	39.8	Very low	155 Å²	155	84.2 Å²	84.2	59%	0.585	38%	0.382	S	S	*	.	H	α-helix	trans	-68.9	-39.2	178.6	-170	169	141.5	149	-4.5	112.7	W148 H149 R150 G156	W148-R152 PolarHBondContact O-N 3.45Å; H149-R152 PolarHBondContact O-N 3.39Å; R150-R152 VanDerWaalsContact C-N 3.3Å; R150-R152 PolarHBondContact O-N 3.5Å; R152-G156 PolarHBondContact O-N 2.95Å; R152-G156 VanDerWaalsContact O-N 3.08Å
153	A	39	Very low	39.6	Very low	28 Å²	28	84.1 Å²	84.1	23%	0.231	38%	0.383	C	S	.	.	H	α-helix	trans	-71.1	-35.5	176.5	0	0	0	0	0	113.5	H149 R150 G156 R157	H149-A153 PolarHBondContact O-N 3.36Å; R150-A153 PolarHBondContact O-N 2.82Å; A153-G156 PolarHBondContact O-N 2.96Å; A153-R157 PolarHBondContact O-N 3.34Å
154	L	37.2	Very low	39.8	Very low	78 Å²	78	81.9 Å²	81.9	41%	0.408	38%	0.382	S	S	.	.	H	α-helix	trans	-67.1	-41.8	174.3	-76.5	166	0	0	0	111.9	R150 R157 I158	R150-L154 HydrophobicContact CG-CD1 4.02Å; R150-L154 WeakPolarHBondContact O-CG 2.99Å; R150-L154 PolarHBondContact O-N 3.12Å; R150-L154 VanDerWaalsContact O-N 3.08Å; L154-R157 PolarHBondContact O-N 2.92Å; L154-I158 WeakPolarHBondContact O-CG1 3.37Å; L154-I158 PolarHBondContact O-N 3.32Å
155	I	39.2	Very low	40	Very low	93 Å²	93	83 Å²	83	48%	0.477	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-44.4	175	-71.6	168	0	0	0	110.3	R151 R157 I158 F159	R151-I155 WeakPolarHBondContact O-CB 3.41Å; R151-I155 VanDerWaalsContact O-CD1 3.3Å; R151-I155 WeakPolarHBondContact O-CD1 3.32Å; R151-I155 WeakPolarHBondContact O-CG1 3.36Å; R151-I155 PolarHBondContact O-N 2.96Å; R151-I155 VanDerWaalsContact O-N 3.11Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 PolarHBondContact O-N 2.7Å; I155-I158 PolarHBondContact O-N 3.07Å; I155-F159 HydrophobicContact CG2-CD2 3.48Å; I155-F159 VanDerWaalsContact CG2-CD2 3.48Å; I155-F159 HydrophobicContact CG2-CE2 3.47Å; I155-F159 VanDerWaalsContact CG2-CE2 3.47Å; I155-F159 VanDerWaalsContact O-CD2 3.24Å; I155-F159 WeakPolarHBondContact O-CD2 3.42Å; I155-F159 PolarHBondContact O-N 3.42Å
156	G	35.6	Very low	40.2	Very low	22 Å²	22	82.4 Å²	82.4	23%	0.227	39%	0.389	C	S	.	.	H	α-helix	trans	-61.5	-31.8	176.4	0	0	0	0	0	114.8	R152 A153 R160	R152-G156 PolarHBondContact O-N 2.95Å; R152-G156 VanDerWaalsContact O-N 3.08Å; A153-G156 PolarHBondContact O-N 2.96Å; G156-R160 WeakPolarHBondContact O-CG 3.35Å; G156-R160 PolarHBondContact O-N 3.43Å; G156-R160 VanDerWaalsContact O-N 3.16Å; G156-R160 PolarHBondContact O-NE 3.2Å
157	R	39.4	Very low	40.7	Very low	94 Å²	94	87.9 Å²	87.9	36%	0.355	42%	0.418	S	S	.	.	H	α-helix	trans	-72.8	-40.1	175.7	-81.8	-176	-90.6	-156	-6.9	112.8	C79 A153 L154 I155 R160 L161	C79-R157 PolarHBondContact O-NH2 3.29Å; A153-R157 PolarHBondContact O-N 3.34Å; L154-R157 PolarHBondContact O-N 2.92Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 PolarHBondContact O-N 2.7Å; R157-R160 PolarHBondContact O-N 2.88Å; R157-L161 PolarHBondContact O-N 3.33Å
158	I	39.1	Very low	40.9	Very low	120 Å²	120	88.3 Å²	88.3	62%	0.615	43%	0.425	S	S	*	.	H	α-helix	trans	-67.4	-41.1	177.8	-65.8	167	0	0	0	110.3	L154 I155 L161 W162	L154-I158 WeakPolarHBondContact O-CG1 3.37Å; L154-I158 PolarHBondContact O-N 3.32Å; I155-I158 PolarHBondContact O-N 3.07Å; I158-L161 PolarHBondContact O-N 3.4Å; I158-W162 WeakPolarHBondContact O-CB 3.42Å; I158-W162 PolarHBondContact O-N 3.48Å
159	F	36.9	Very low	41.1	Very low	99 Å²	99	84.2 Å²	84.2	43%	0.434	41%	0.41	S	S	.	.	H	α-helix	trans	-65.4	-41.9	176.2	-86.8	-66.9	0	0	0	112.5	I155 L161 W162 F163	I155-F159 HydrophobicContact CG2-CD2 3.48Å; I155-F159 VanDerWaalsContact CG2-CD2 3.48Å; I155-F159 HydrophobicContact CG2-CE2 3.47Å; I155-F159 VanDerWaalsContact CG2-CE2 3.47Å; I155-F159 VanDerWaalsContact O-CD2 3.24Å; I155-F159 WeakPolarHBondContact O-CD2 3.42Å; I155-F159 PolarHBondContact O-N 3.42Å; F159-L161 PolarHBondContact O-N 3.3Å; F159-W162 HydrophobicContact CD1-CE3 4.02Å; F159-W162 HydrophobicContact CD1-CZ3 4.49Å; F159-W162 HydrophobicContact CE1-CE3 4.32Å; F159-W162 HydrophobicContact CE1-CZ3 4.48Å; F159-W162 CarbonylContact O-C 3.53Å; F159-W162 PolarHBondContact O-N 2.74Å; F159-W162 VanDerWaalsContact O-N 3.13Å; F159-F163 VanDerWaalsContact C-CD2 3.42Å; F159-F163 HydrophobicContact CB-CD2 4.06Å; F159-F163 HydrophobicContact CB-CE2 3.69Å; F159-F163 HydrophobicContact CD1-CE2 4.02Å; F159-F163 HydrophobicContact CD1-CZ 4.06Å; F159-F163 HydrophobicContact CG-CE2 4.22Å; F159-F163 WeakPolarHBondContact O-CB 3.39Å; F159-F163 WeakPolarHBondContact O-CD2 3.44Å; F159-F163 VanDerWaalsContact O-CG 3.27Å; F159-F163 WeakPolarHBondContact O-CG 3.33Å; F159-F163 PolarHBondContact O-N 2.91Å
160	R	42.5	Very low	41.8	Very low	164 Å²	164	86.7 Å²	86.7	62%	0.619	42%	0.42	S	S	*	.	H	α-helix	trans	-62.3	-38.4	176	-78.3	-174	-72.5	-98	5.1	113.7	G156 R157 G164	G156-R160 WeakPolarHBondContact O-CG 3.35Å; G156-R160 PolarHBondContact O-N 3.43Å; G156-R160 VanDerWaalsContact O-N 3.16Å; G156-R160 PolarHBondContact O-NE 3.2Å; R157-R160 PolarHBondContact O-N 2.88Å; R160-G164 PolarHBondContact O-N 3.02Å
161	L	41.9	Very low	42.8	Very low	121 Å²	121	92.6 Å²	92.6	63%	0.634	44%	0.442	S	S	*	.	H	α-helix	trans	-66.4	-38.9	172.4	-105.3	111.1	0	0	0	112	R157 I158 F159 L165	R157-L161 PolarHBondContact O-N 3.33Å; I158-L161 PolarHBondContact O-N 3.4Å; F159-L161 PolarHBondContact O-N 3.3Å; L161-L165 HydrophobicContact CD2-CD1 4.45Å; L161-L165 WeakPolarHBondContact O-CD1 3.49Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.01Å; L161-L165 PolarHBondContact O-N 3.17Å
162	W	38.9	Very low	43.4	Very low	109 Å²	109	92.3 Å²	92.3	41%	0.413	44%	0.441	S	S	.	.	H	α-helix	trans	-71.2	-36.7	179.3	-175.3	72.9	0	0	0	113.1	I158 F159 L165 T166	I158-W162 WeakPolarHBondContact O-CB 3.42Å; I158-W162 PolarHBondContact O-N 3.48Å; F159-W162 HydrophobicContact CD1-CE3 4.02Å; F159-W162 HydrophobicContact CD1-CZ3 4.49Å; F159-W162 HydrophobicContact CE1-CE3 4.32Å; F159-W162 HydrophobicContact CE1-CZ3 4.48Å; F159-W162 CarbonylContact O-C 3.53Å; F159-W162 PolarHBondContact O-N 2.74Å; F159-W162 VanDerWaalsContact O-N 3.13Å; W162-L165 PolarHBondContact O-N 3.2Å; W162-T166 PolarHBondContact O-N 2.93Å; W162-T166 PolarHBondContact O-OG1 3.26Å
163	F	39.9	Very low	44.1	Very low	31 Å²	31	88.7 Å²	88.7	14%	0.136	43%	0.431	C	S	.	.	H	α-helix	trans	-65.3	-38	176.3	-72.4	-55	0	0	0	112.4	F159 G169 K170 R172	F159-F163 VanDerWaalsContact C-CD2 3.42Å; F159-F163 HydrophobicContact CB-CD2 4.06Å; F159-F163 HydrophobicContact CB-CE2 3.69Å; F159-F163 HydrophobicContact CD1-CE2 4.02Å; F159-F163 HydrophobicContact CD1-CZ 4.06Å; F159-F163 HydrophobicContact CG-CE2 4.22Å; F159-F163 WeakPolarHBondContact O-CB 3.39Å; F159-F163 WeakPolarHBondContact O-CD2 3.44Å; F159-F163 VanDerWaalsContact O-CG 3.27Å; F159-F163 WeakPolarHBondContact O-CG 3.33Å; F159-F163 PolarHBondContact O-N 2.91Å; F163-G169 WeakPolarHBondContact CD1-O 3.35Å; F163-G169 CarbonylContact O-C 3.59Å; F163-K170 WeakPolarHBondContact O-CG 3.35Å; F163-K170 PolarHBondContact O-N 3.33Å; F163-R172 HydrophobicContact CE1-CB 4.28Å
164	G	46.6	Very low	45.5	Very low	40 Å²	40	93.6 Å²	93.6	41%	0.412	45%	0.449	S	S	.	.	H	α-helix	trans	-75.6	-25	178.6	0	0	0	0	0	115.4	R160 K170	R160-G164 PolarHBondContact O-N 3.02Å; G164-K170 WeakPolarHBondContact O-CE 3.33Å
165	L	42.5	Very low	47.1	Very low	140 Å²	140	93.9 Å²	93.9	73%	0.733	45%	0.448	S	S	*	.	H	α-helix	trans	-97.1	-7.9	-172.2	-70.7	170.2	0	0	0	114.6	L161 W162	L161-L165 HydrophobicContact CD2-CD1 4.45Å; L161-L165 WeakPolarHBondContact O-CD1 3.49Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.01Å; L161-L165 PolarHBondContact O-N 3.17Å; W162-L165 PolarHBondContact O-N 3.2Å
166	T	45.1	Very low	48.2	Very low	42 Å²	42	94.3 Å²	94.3	26%	0.258	45%	0.448	S	S	.	.			trans	-131.8	137.5	-176.3	59.1	0	0	0	0	112.3	W162 C168 G169 K170	W162-T166 PolarHBondContact O-N 2.93Å; W162-T166 PolarHBondContact O-OG1 3.26Å; T166-C168 PolarHBondContact O-N 3.37Å; T166-G169 WeakPolarHBondContact O-CA 3.47Å; T166-G169 PolarHBondContact O-N 2.82Å; T166-G169 PolarHBondContact OG1-N 2.79Å; T166-K170 PolarHBondContact O-N 2.8Å
167	D	46.1	Very low	49.8	Very low	120 Å²	120	98.9 Å²	98.9	64%	0.642	46%	0.462	S	S	*	.	H	α-helix	trans	-67.4	-21.5	179.9	-69.7	-27.9	0	0	0	113.3	R171	D167-R171 WeakPolarHBondContact O-CG 3.44Å; D167-R171 PolarHBondContact O-N 3.2Å; D167-R171 PolarHBondContact O-NE 3.34Å
168	C	45.8	Very low	51.6	Low	69 Å²	69	100.7 Å²	100.7	47%	0.466	47%	0.469	S	S	.	.	H	α-helix	trans	-76.1	-30	168.6	59.6	0	0	0	0	112.1	T166 R172	T166-C168 PolarHBondContact O-N 3.37Å; C168-R172 PolarHBondContact O-N 3.35Å
169	G	47	Very low	53.3	Low	0 Å²	0	102.2 Å²	102.2	0%	0	47%	0.467	C	S	.	.	H	α-helix	trans	-69.6	-49.8	174	0	0	0	0	0	112.4	F163 T166 R171 R172 E173	F163-G169 WeakPolarHBondContact CD1-O 3.35Å; F163-G169 CarbonylContact O-C 3.59Å; T166-G169 WeakPolarHBondContact O-CA 3.47Å; T166-G169 PolarHBondContact O-N 2.82Å; T166-G169 PolarHBondContact OG1-N 2.79Å; G169-R171 PolarHBondContact O-N 2.68Å; G169-R172 PolarHBondContact O-N 2.95Å; G169-R172 VanDerWaalsContact O-N 3.07Å; G169-E173 PolarHBondContact O-N 3.42Å
170	K	53.9	Low	54.9	Low	97 Å²	97	103.2 Å²	103.2	42%	0.422	47%	0.473	S	S	.	.	H	α-helix	trans	-58.8	-43.6	178.3	-67.2	-179.8	-177.3	170.8	0	112.8	F163 G164 T166 R172 E173 E174	F163-K170 WeakPolarHBondContact O-CG 3.35Å; F163-K170 PolarHBondContact O-N 3.33Å; G164-K170 WeakPolarHBondContact O-CE 3.33Å; T166-K170 PolarHBondContact O-N 2.8Å; K170-R172 VanDerWaalsContact C-N 3.27Å; K170-R172 PolarHBondContact O-N 3.25Å; K170-E173 PolarHBondContact O-N 3.27Å; K170-E174 WeakPolarHBondContact O-CG 3.49Å; K170-E174 PolarHBondContact O-N 3.08Å
171	R	60.6	Low	56.7	Low	170 Å²	170	100.9 Å²	100.9	64%	0.642	47%	0.469	S	S	*	.	H	α-helix	trans	-61.6	-33.9	175.4	-78.8	-171.4	-72.3	-177.1	-2.4	113.2	D167 G169 E175	D167-R171 WeakPolarHBondContact O-CG 3.44Å; D167-R171 PolarHBondContact O-N 3.2Å; D167-R171 PolarHBondContact O-NE 3.34Å; G169-R171 PolarHBondContact O-N 2.68Å; R171-E175 WeakPolarHBondContact O-CB 3.5Å; R171-E175 PolarHBondContact O-N 3.46Å
172	R	52.1	Low	58.6	Low	147 Å²	147	99.1 Å²	99.1	56%	0.555	46%	0.457	S	S	*	.	H	α-helix	trans	-76.8	-34.6	179.6	-159.1	173.6	-176.8	-171.9	0.6	111.9	F163 C168 G169 K170 E175 E176	F163-R172 HydrophobicContact CE1-CB 4.28Å; C168-R172 PolarHBondContact O-N 3.35Å; G169-R172 PolarHBondContact O-N 2.95Å; G169-R172 VanDerWaalsContact O-N 3.07Å; K170-R172 VanDerWaalsContact C-N 3.27Å; K170-R172 PolarHBondContact O-N 3.25Å; R172-E175 PolarHBondContact O-N 3.39Å; R172-E176 WeakPolarHBondContact O-CB 3.09Å; R172-E176 PolarHBondContact O-N 3Å
173	E	56.4	Low	60.1	Low	79 Å²	79	100.6 Å²	100.6	37%	0.369	47%	0.469	S	S	.	.	H	α-helix	trans	-68.1	-39.9	172.3	-172.3	176.6	-171.6	0	0	111.8	G169 K170 E176 K177	G169-E173 PolarHBondContact O-N 3.42Å; K170-E173 PolarHBondContact O-N 3.27Å; E173-E176 PolarHBondContact O-N 3.27Å; E173-K177 WeakPolarHBondContact O-CB 3.38Å; E173-K177 WeakPolarHBondContact O-CG 3.33Å; E173-K177 PolarHBondContact O-N 3.33Å
174	E	67.7	Low	62	Low	131 Å²	131	103.7 Å²	103.7	61%	0.612	48%	0.484	S	S	*	.	H	α-helix	trans	-64.4	-39.6	172	-74	172	177.5	0	0	112	K170 R178	K170-E174 WeakPolarHBondContact O-CG 3.49Å; K170-E174 PolarHBondContact O-N 3.08Å; E174-R178 WeakPolarHBondContact O-CB 3.19Å; E174-R178 PolarHBondContact O-N 2.9Å
175	E	71.1	Confident	63.7	Low	84 Å²	84	108 Å²	108	39%	0.393	49%	0.493	S	S	.	.	H	α-helix	trans	-68.5	-35.4	176	-162.1	-175.7	167.3	0	0	112.4	R171 R172 R179	R171-E175 WeakPolarHBondContact O-CB 3.5Å; R171-E175 PolarHBondContact O-N 3.46Å; R172-E175 PolarHBondContact O-N 3.39Å; E175-R179 WeakPolarHBondContact O-CG 3.08Å; E175-R179 PolarHBondContact O-N 3.19Å; E175-R179 IonicContact OE1-NH2 2.6Å
176	E	62.2	Low	65.4	Low	102 Å²	102	106.7 Å²	106.7	48%	0.477	48%	0.481	S	S	.	.	H	α-helix	trans	-71.1	-44.7	176	-167	163.9	-152.7	0	0	111.5	R172 E173 R178 R179 E180	R172-E176 WeakPolarHBondContact O-CB 3.09Å; R172-E176 PolarHBondContact O-N 3Å; E173-E176 PolarHBondContact O-N 3.27Å; E176-R178 VanDerWaalsContact C-N 3.29Å; E176-R178 PolarHBondContact O-N 3.37Å; E176-R179 WeakPolarHBondContact O-CA 3.29Å; E176-R179 WeakPolarHBondContact O-CB 3.29Å; E176-R179 PolarHBondContact O-N 3.5Å; E176-E180 PolarHBondContact O-N 3.2Å
177	K	70.6	Confident	67.1	Low	117 Å²	117	111.9 Å²	111.9	51%	0.509	50%	0.496	S	S	.	.	H	α-helix	trans	-57.6	-42.2	171.3	-79.9	-177.9	179.6	175.3	0	112.1	E173 R179 E180 E181	E173-K177 WeakPolarHBondContact O-CB 3.38Å; E173-K177 WeakPolarHBondContact O-CG 3.33Å; E173-K177 PolarHBondContact O-N 3.33Å; K177-R179 VanDerWaalsContact C-N 3.28Å; K177-R179 PolarHBondContact O-N 3.3Å; K177-E180 PolarHBondContact O-N 3.23Å; K177-E181 WeakPolarHBondContact O-CB 3.44Å; K177-E181 WeakPolarHBondContact O-CG 3.34Å; K177-E181 PolarHBondContact O-N 3.08Å
178	R	76.3	Confident	68.9	Low	133 Å²	133	110.2 Å²	110.2	50%	0.502	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-33.4	177.4	-145.8	-178.5	73.4	-112.6	-2.9	112.1	E174 E176 E182	E174-R178 WeakPolarHBondContact O-CB 3.19Å; E174-R178 PolarHBondContact O-N 2.9Å; E176-R178 VanDerWaalsContact C-N 3.29Å; E176-R178 PolarHBondContact O-N 3.37Å; R178-E182 WeakPolarHBondContact O-CB 3.44Å; R178-E182 WeakPolarHBondContact O-CG 3.3Å; R178-E182 PolarHBondContact O-N 2.95Å
179	R	75.4	Confident	70.6	Confident	152 Å²	152	109.1 Å²	109.1	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-71.2	-40.3	173.3	-77	175.4	-177.9	-122.3	2.7	112.2	E175 E176 K177 E182 E183	E175-R179 WeakPolarHBondContact O-CG 3.08Å; E175-R179 PolarHBondContact O-N 3.19Å; E175-R179 IonicContact OE1-NH2 2.6Å; E176-R179 WeakPolarHBondContact O-CA 3.29Å; E176-R179 WeakPolarHBondContact O-CB 3.29Å; E176-R179 PolarHBondContact O-N 3.5Å; K177-R179 VanDerWaalsContact C-N 3.28Å; K177-R179 PolarHBondContact O-N 3.3Å; R179-E182 PolarHBondContact O-N 3.08Å; R179-E183 PolarHBondContact O-N 3.48Å
180	E	70.6	Confident	72.3	Confident	120 Å²	120	117.2 Å²	117.2	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-64.6	-43.9	175.6	-72.8	-177.4	160.4	0	0	111.2	E176 K177 E182 E183 E184	E176-E180 PolarHBondContact O-N 3.2Å; K177-E180 PolarHBondContact O-N 3.23Å; E180-E182 PolarHBondContact O-N 3.36Å; E180-E183 PolarHBondContact O-N 3Å; E180-E184 WeakPolarHBondContact O-CB 3.33Å; E180-E184 PolarHBondContact O-N 3.02Å
181	E	79.8	Confident	73.6	Confident	114 Å²	114	118.7 Å²	118.7	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-61.3	-41.9	173.1	-73.4	175	-177.8	0	0	111.9	K177 E184 Q185	K177-E181 WeakPolarHBondContact O-CB 3.44Å; K177-E181 WeakPolarHBondContact O-CG 3.34Å; K177-E181 PolarHBondContact O-N 3.08Å; E181-E184 PolarHBondContact O-N 3.39Å; E181-Q185 WeakPolarHBondContact O-CB 3.34Å; E181-Q185 VanDerWaalsContact O-CG 3.26Å; E181-Q185 WeakPolarHBondContact O-CG 3.14Å; E181-Q185 PolarHBondContact O-N 3.33Å
182	E	81.4	Confident	74.7	Confident	85 Å²	85	118.4 Å²	118.4	40%	0.397	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-37.9	174	-84.5	-174.8	-158.5	0	0	112.8	R178 R179 E180 K186	R178-E182 WeakPolarHBondContact O-CB 3.44Å; R178-E182 WeakPolarHBondContact O-CG 3.3Å; R178-E182 PolarHBondContact O-N 2.95Å; R179-E182 PolarHBondContact O-N 3.08Å; E180-E182 PolarHBondContact O-N 3.36Å; E182-K186 WeakPolarHBondContact O-CB 3.38Å; E182-K186 WeakPolarHBondContact O-CD 3.27Å; E182-K186 VanDerWaalsContact O-CG 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.46Å; E182-K186 PolarHBondContact O-N 3.3Å; E182-K186 IonicContact OE2-NZ 3.02Å
183	E	71.8	Confident	76	Confident	139 Å²	139	120.8 Å²	120.8	65%	0.65	53%	0.527	S	S	*	.	H	α-helix	trans	-70.2	-38.8	175.8	-80.4	-161	149.1	0	0	112.1	R179 E180 K186 R187	R179-E183 PolarHBondContact O-N 3.48Å; E180-E183 PolarHBondContact O-N 3Å; E183-K186 WeakPolarHBondContact O-CB 3.39Å; E183-K186 PolarHBondContact O-N 3.22Å; E183-R187 WeakPolarHBondContact O-CB 3.48Å; E183-R187 PolarHBondContact O-N 3.07Å
184	E	80.1	Confident	77	Confident	97 Å²	97	125 Å²	125	45%	0.453	54%	0.54	S	S	.	.	H	α-helix	trans	-65	-45	174.5	-176.9	138.6	-120.2	0	0	111.1	E180 E181 K186 R187 E188	E180-E184 WeakPolarHBondContact O-CB 3.33Å; E180-E184 PolarHBondContact O-N 3.02Å; E181-E184 PolarHBondContact O-N 3.39Å; E184-K186 VanDerWaalsContact C-N 3.29Å; E184-K186 PolarHBondContact O-N 2.95Å; E184-R187 CarbonylContact O-C 3.59Å; E184-R187 WeakPolarHBondContact O-CA 3.44Å; E184-R187 WeakPolarHBondContact O-CB 3.02Å; E184-R187 PolarHBondContact O-N 3.38Å; E184-R187 IonicContact OE1-CZ 3.22Å; E184-R187 IonicContact OE1-NH2 3.34Å; E184-R187 PolarHBondContact OE1-NH2 2.86Å; E184-E188 PolarHBondContact O-N 2.9Å
185	Q	80.5	Confident	77.7	Confident	129 Å²	129	121 Å²	121	60%	0.603	53%	0.529	S	S	*	.	H	α-helix	trans	-60	-39	172.7	-74.5	178.2	18.5	0	0	112.1	E181 R187 A189	E181-Q185 WeakPolarHBondContact O-CB 3.34Å; E181-Q185 VanDerWaalsContact O-CG 3.26Å; E181-Q185 WeakPolarHBondContact O-CG 3.14Å; E181-Q185 PolarHBondContact O-N 3.33Å; Q185-R187 VanDerWaalsContact C-N 3.34Å; Q185-A189 VanDerWaalsContact O-CB 3.25Å; Q185-A189 WeakPolarHBondContact O-CB 3.12Å; Q185-A189 PolarHBondContact O-N 3.08Å
186	K	80	Confident	78.3	Confident	113 Å²	113	122.5 Å²	122.5	49%	0.491	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-36.2	173.5	-76.9	166	-171.8	153.7	0	111.7	E182 E183 E184 R190	E182-K186 WeakPolarHBondContact O-CB 3.38Å; E182-K186 WeakPolarHBondContact O-CD 3.27Å; E182-K186 VanDerWaalsContact O-CG 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.46Å; E182-K186 PolarHBondContact O-N 3.3Å; E182-K186 IonicContact OE2-NZ 3.02Å; E183-K186 WeakPolarHBondContact O-CB 3.39Å; E183-K186 PolarHBondContact O-N 3.22Å; E184-K186 VanDerWaalsContact C-N 3.29Å; E184-K186 PolarHBondContact O-N 2.95Å; K186-R190 WeakPolarHBondContact O-CG 3.47Å; K186-R190 PolarHBondContact O-N 2.78Å
187	R	79.4	Confident	79.1	Confident	152 Å²	152	124.8 Å²	124.8	57%	0.574	55%	0.547	S	S	*	.	H	α-helix	trans	-67.5	-48.8	176.8	-170.2	176.1	71	177.2	0.4	110.7	E183 E184 Q185 A189 R190 E191	E183-R187 WeakPolarHBondContact O-CB 3.48Å; E183-R187 PolarHBondContact O-N 3.07Å; E184-R187 CarbonylContact O-C 3.59Å; E184-R187 WeakPolarHBondContact O-CA 3.44Å; E184-R187 WeakPolarHBondContact O-CB 3.02Å; E184-R187 PolarHBondContact O-N 3.38Å; E184-R187 IonicContact OE1-CZ 3.22Å; E184-R187 IonicContact OE1-NH2 3.34Å; E184-R187 PolarHBondContact OE1-NH2 2.86Å; Q185-R187 VanDerWaalsContact C-N 3.34Å; R187-A189 VanDerWaalsContact C-N 3.33Å; R187-A189 PolarHBondContact O-N 2.76Å; R187-R190 WeakPolarHBondContact O-CB 3.47Å; R187-R190 PolarHBondContact O-N 2.74Å; R187-R190 VanDerWaalsContact O-N 3.13Å; R187-E191 PolarHBondContact O-N 2.87Å
188	E	84.7	Confident	79.5	Confident	85 Å²	85	128 Å²	128	40%	0.397	56%	0.557	S	S	.	*	H	α-helix	trans	-59	-43.5	173.7	-74.6	-165.1	-174.9	0	0	111.7	E184 R190 E191 R192	E184-E188 PolarHBondContact O-N 2.9Å; E188-R190 VanDerWaalsContact C-N 3.29Å; E188-R190 PolarHBondContact O-N 2.99Å; E188-E191 PolarHBondContact O-N 2.98Å; E188-E191 VanDerWaalsContact O-N 3.13Å; E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 VanDerWaalsContact O-CG 3.3Å; E188-R192 WeakPolarHBondContact O-CG 3.27Å; E188-R192 PolarHBondContact O-N 2.71Å; E188-R192 IonicContact OE2-CZ 2.95Å; E188-R192 IonicContact OE2-NE 3.55Å; E188-R192 IonicContact OE2-NH2 3.31Å; E188-R192 PolarHBondContact OE2-NH2 2.82Å
189	A	81.7	Confident	79.6	Confident	45 Å²	45	127.6 Å²	127.6	37%	0.372	56%	0.56	S	S	.	*	H	α-helix	trans	-62.2	-37.6	177.1	0	0	0	0	0	112.1	Q185 R187 R193	Q185-A189 VanDerWaalsContact O-CB 3.25Å; Q185-A189 WeakPolarHBondContact O-CB 3.12Å; Q185-A189 PolarHBondContact O-N 3.08Å; R187-A189 VanDerWaalsContact C-N 3.33Å; R187-A189 PolarHBondContact O-N 2.76Å; A189-R193 WeakPolarHBondContact O-CB 3.37Å; A189-R193 VanDerWaalsContact O-CG 3.27Å; A189-R193 WeakPolarHBondContact O-CG 3.48Å; A189-R193 PolarHBondContact O-N 3Å
190	R	81.4	Confident	79.6	Confident	170 Å²	170	125.7 Å²	125.7	64%	0.642	56%	0.561	S	S	*	*	H	α-helix	trans	-67	-38.6	173.8	-73.8	168.7	-177.7	-162.2	2.6	111.4	K186 R187 E188 R193 R194	K186-R190 WeakPolarHBondContact O-CG 3.47Å; K186-R190 PolarHBondContact O-N 2.78Å; R187-R190 WeakPolarHBondContact O-CB 3.47Å; R187-R190 PolarHBondContact O-N 2.74Å; R187-R190 VanDerWaalsContact O-N 3.13Å; E188-R190 VanDerWaalsContact C-N 3.29Å; E188-R190 PolarHBondContact O-N 2.99Å; R190-R193 PolarHBondContact O-N 3.49Å; R190-R194 VanDerWaalsContact O-CG 3.28Å; R190-R194 WeakPolarHBondContact O-CG 3.26Å; R190-R194 PolarHBondContact O-N 2.95Å
191	E	81.8	Confident	79.8	Confident	129 Å²	129	124.9 Å²	124.9	60%	0.603	56%	0.557	S	S	*	*	H	α-helix	trans	-70.6	-44.6	178.8	-167.2	161.4	-155.2	0	0	112	R187 E188 R193 R194 A195	R187-E191 PolarHBondContact O-N 2.87Å; E188-E191 PolarHBondContact O-N 2.98Å; E188-E191 VanDerWaalsContact O-N 3.13Å; E191-R193 VanDerWaalsContact C-N 3.31Å; E191-R193 PolarHBondContact O-N 2.75Å; E191-R194 CarbonylContact O-C 3.5Å; E191-R194 WeakPolarHBondContact O-CA 3.38Å; E191-R194 WeakPolarHBondContact O-CB 3.48Å; E191-R194 PolarHBondContact O-N 3.08Å; E191-A195 PolarHBondContact O-N 2.8Å
192	R	83.5	Confident	79.7	Confident	163 Å²	163	124.7 Å²	124.7	62%	0.615	56%	0.556	S	S	*	*	H	α-helix	trans	-56.8	-43.5	171.1	-69.3	178.6	-162.1	-166.2	8.8	111.4	E188 R194 A195 L196	E188-R192 WeakPolarHBondContact O-CB 3.43Å; E188-R192 VanDerWaalsContact O-CG 3.3Å; E188-R192 WeakPolarHBondContact O-CG 3.27Å; E188-R192 PolarHBondContact O-N 2.71Å; E188-R192 IonicContact OE2-CZ 2.95Å; E188-R192 IonicContact OE2-NE 3.55Å; E188-R192 IonicContact OE2-NH2 3.31Å; E188-R192 PolarHBondContact OE2-NH2 2.82Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R192-R194 PolarHBondContact O-N 3.2Å; R192-A195 PolarHBondContact O-N 2.84Å; R192-L196 WeakPolarHBondContact O-CB 3.47Å; R192-L196 PolarHBondContact O-N 2.82Å
193	R	80.1	Confident	79.5	Confident	198 Å²	198	125.5 Å²	125.5	75%	0.747	57%	0.566	S	S	*	*	H	α-helix	trans	-62	-39.3	174	-77.6	177.3	-175.2	-155.7	2.6	112.6	A189 R190 E191 K197	A189-R193 WeakPolarHBondContact O-CB 3.37Å; A189-R193 VanDerWaalsContact O-CG 3.27Å; A189-R193 WeakPolarHBondContact O-CG 3.48Å; A189-R193 PolarHBondContact O-N 3Å; R190-R193 PolarHBondContact O-N 3.49Å; E191-R193 VanDerWaalsContact C-N 3.31Å; E191-R193 PolarHBondContact O-N 2.75Å; R193-K197 WeakPolarHBondContact O-CB 3.18Å; R193-K197 PolarHBondContact O-N 3.06Å; R193-K197 VanDerWaalsContact O-N 3.08Å
194	R	76.5	Confident	79.3	Confident	168 Å²	168	124.9 Å²	124.9	63%	0.634	57%	0.567	S	S	*	*	H	α-helix	trans	-69	-39.9	176.8	-74.1	169.9	178.9	-172.9	-0.5	111.4	R190 E191 R192 K197 R198	R190-R194 VanDerWaalsContact O-CG 3.28Å; R190-R194 WeakPolarHBondContact O-CG 3.26Å; R190-R194 PolarHBondContact O-N 2.95Å; E191-R194 CarbonylContact O-C 3.5Å; E191-R194 WeakPolarHBondContact O-CA 3.38Å; E191-R194 WeakPolarHBondContact O-CB 3.48Å; E191-R194 PolarHBondContact O-N 3.08Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R192-R194 PolarHBondContact O-N 3.2Å; R194-K197 PolarHBondContact O-N 2.66Å; R194-R198 WeakPolarHBondContact O-CG 3.47Å; R194-R198 PolarHBondContact O-N 2.83Å
195	A	83.1	Confident	78.6	Confident	47 Å²	47	126.8 Å²	126.8	39%	0.388	58%	0.576	S	S	.	*	H	α-helix	trans	-64.7	-46.5	176	0	0	0	0	0	111.7	E191 R192 K197 R198 Q199	E191-A195 PolarHBondContact O-N 2.8Å; R192-A195 PolarHBondContact O-N 2.84Å; A195-K197 VanDerWaalsContact C-N 3.27Å; A195-K197 PolarHBondContact O-N 2.79Å; A195-R198 WeakPolarHBondContact O-CB 3.3Å; A195-R198 PolarHBondContact O-N 3.35Å; A195-Q199 PolarHBondContact O-N 2.94Å
196	L	83.1	Confident	77.8	Confident	115 Å²	115	126.3 Å²	126.3	60%	0.602	58%	0.577	S	S	*	*	H	α-helix	trans	-58.2	-39.6	174.4	-116.5	146.9	0	0	0	112	R192 Q199 L200	R192-L196 WeakPolarHBondContact O-CB 3.47Å; R192-L196 PolarHBondContact O-N 2.82Å; L196-Q199 PolarHBondContact O-N 3.31Å; L196-L200 WeakPolarHBondContact O-CB 3.49Å; L196-L200 PolarHBondContact O-N 2.62Å
197	K	79.3	Confident	77.1	Confident	149 Å²	149	123.5 Å²	123.5	65%	0.648	58%	0.576	S	S	*	*	H	α-helix	trans	-66.5	-37.4	176	-166.4	177.5	-179.7	-176.6	0	112.2	R193 R194 A195 Q201	R193-K197 WeakPolarHBondContact O-CB 3.18Å; R193-K197 PolarHBondContact O-N 3.06Å; R193-K197 VanDerWaalsContact O-N 3.08Å; R194-K197 PolarHBondContact O-N 2.66Å; A195-K197 VanDerWaalsContact C-N 3.27Å; A195-K197 PolarHBondContact O-N 2.79Å; K197-Q201 WeakPolarHBondContact O-CB 3.3Å; K197-Q201 PolarHBondContact O-N 3.12Å
198	R	79.6	Confident	75.9	Confident	186 Å²	186	122 Å²	122	70%	0.702	59%	0.585	S	S	*	*	H	α-helix	trans	-67.5	-45	174.4	-69.7	-178.3	-151.2	-176.2	7.8	111.5	R194 A195 L200 Q201 E202	R194-R198 WeakPolarHBondContact O-CG 3.47Å; R194-R198 PolarHBondContact O-N 2.83Å; A195-R198 WeakPolarHBondContact O-CB 3.3Å; A195-R198 PolarHBondContact O-N 3.35Å; R198-L200 PolarHBondContact O-N 3.42Å; R198-Q201 WeakPolarHBondContact O-CB 3.41Å; R198-Q201 PolarHBondContact O-N 2.82Å; R198-Q201 VanDerWaalsContact O-N 3.16Å; R198-E202 WeakPolarHBondContact O-CB 3.24Å; R198-E202 PolarHBondContact O-N 2.99Å
199	Q	77	Confident	74.5	Confident	124 Å²	124	125.7 Å²	125.7	58%	0.579	61%	0.606	S	S	*	*	H	α-helix	trans	-61.8	-42	175.8	-75.2	-178	-21.3	0	0	112.2	A195 L196 Q201 E202 V203	A195-Q199 PolarHBondContact O-N 2.94Å; L196-Q199 PolarHBondContact O-N 3.31Å; Q199-Q201 VanDerWaalsContact C-N 3.27Å; Q199-Q201 PolarHBondContact O-N 2.75Å; Q199-E202 PolarHBondContact O-N 3.42Å; Q199-V203 WeakPolarHBondContact O-CB 3.22Å; Q199-V203 VanDerWaalsContact O-CG2 3.28Å; Q199-V203 WeakPolarHBondContact O-CG2 3.43Å; Q199-V203 PolarHBondContact O-N 2.82Å
200	L	77.2	Confident	72.7	Confident	111 Å²	111	135.2 Å²	135.2	58%	0.581	63%	0.632	S	S	*	*	H	α-helix	trans	-62.9	-38.4	175.8	-164.4	80.8	0	0	0	111.4	L196 R198 L204	L196-L200 WeakPolarHBondContact O-CB 3.49Å; L196-L200 PolarHBondContact O-N 2.62Å; R198-L200 PolarHBondContact O-N 3.42Å; L200-L204 WeakPolarHBondContact O-CB 3.11Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.25Å; L200-L204 PolarHBondContact O-N 3.49Å
201	Q	73.6	Confident	70.7	Confident	104 Å²	104	136.1 Å²	136.1	49%	0.486	64%	0.641	S	S	.	*	H	α-helix	trans	-69.5	-39.2	177.2	-175.3	139.9	-6.2	0	0	112	K197 R198 Q199 L204 E205	K197-Q201 WeakPolarHBondContact O-CB 3.3Å; K197-Q201 PolarHBondContact O-N 3.12Å; R198-Q201 WeakPolarHBondContact O-CB 3.41Å; R198-Q201 PolarHBondContact O-N 2.82Å; R198-Q201 VanDerWaalsContact O-N 3.16Å; Q199-Q201 VanDerWaalsContact C-N 3.27Å; Q199-Q201 PolarHBondContact O-N 2.75Å; Q201-L204 WeakPolarHBondContact O-CB 3.14Å; Q201-L204 PolarHBondContact O-N 2.67Å; Q201-E205 PolarHBondContact NE2-OE1 2.84Å; Q201-E205 WeakPolarHBondContact O-CB 3.39Å; Q201-E205 WeakPolarHBondContact O-CG 3.45Å; Q201-E205 PolarHBondContact O-N 3.41Å
202	E	77.8	Confident	68.7	Low	109 Å²	109	135.1 Å²	135.1	51%	0.509	65%	0.648	S	S	.	*	H	α-helix	trans	-67.4	-37.1	175	-170.8	170.9	-163	0	0	112	R198 Q199 L204 E205 N206	R198-E202 WeakPolarHBondContact O-CB 3.24Å; R198-E202 PolarHBondContact O-N 2.99Å; Q199-E202 PolarHBondContact O-N 3.42Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-E205 PolarHBondContact O-N 2.91Å; E202-N206 WeakPolarHBondContact CG-ND2 3.4Å; E202-N206 WeakPolarHBondContact O-CB 3.4Å; E202-N206 VanDerWaalsContact O-CG 3.26Å; E202-N206 PolarHBondContact O-N 2.75Å; E202-N206 PolarHBondContact O-ND2 3.45Å
203	V	76.7	Confident	66.7	Low	102 Å²	102	139.8 Å²	139.8	62%	0.618	67%	0.666	S	S	*	*	H	α-helix	trans	-66.2	-36.2	171.3	171.2	0	0	0	0	111.6	Q199 A207	Q199-V203 WeakPolarHBondContact O-CB 3.22Å; Q199-V203 VanDerWaalsContact O-CG2 3.28Å; Q199-V203 WeakPolarHBondContact O-CG2 3.43Å; Q199-V203 PolarHBondContact O-N 2.82Å; V203-A207 WeakPolarHBondContact O-CB 3.44Å; V203-A207 PolarHBondContact O-N 3.48Å; V203-A207 VanDerWaalsContact O-N 3.09Å
204	L	68.1	Low	65.1	Low	126 Å²	126	141.1 Å²	141.1	66%	0.66	67%	0.671	S	S	*	*	H	α-helix	trans	-69.6	-34.8	174	-76.5	166.7	0	0	0	112.3	L200 Q201 E202	L200-L204 WeakPolarHBondContact O-CB 3.11Å; L200-L204 VanDerWaalsContact O-CG 3.26Å; L200-L204 WeakPolarHBondContact O-CG 3.25Å; L200-L204 PolarHBondContact O-N 3.49Å; Q201-L204 WeakPolarHBondContact O-CB 3.14Å; Q201-L204 PolarHBondContact O-N 2.67Å; E202-L204 VanDerWaalsContact C-N 3.34Å
205	E	65.5	Low	63.5	Low	137 Å²	137	141.4 Å²	141.4	64%	0.64	68%	0.684	S	S	*	*	H	α-helix	trans	-77.9	-32.2	177.9	-75.2	172.5	-170.6	0	0	112.3	Q201 E202	Q201-E205 PolarHBondContact NE2-OE1 2.84Å; Q201-E205 WeakPolarHBondContact O-CB 3.39Å; Q201-E205 WeakPolarHBondContact O-CG 3.45Å; Q201-E205 PolarHBondContact O-N 3.41Å; E202-E205 PolarHBondContact O-N 2.91Å
206	N	63.7	Low	61.4	Low	119 Å²	119	149.6 Å²	149.6	64%	0.636	71%	0.705	S	S	*	*	S	Bend	trans	-90.4	-0.6	177.4	-68	-31.4	0	0	0	114	E202	E202-N206 WeakPolarHBondContact CG-ND2 3.4Å; E202-N206 WeakPolarHBondContact O-CB 3.4Å; E202-N206 VanDerWaalsContact O-CG 3.26Å; E202-N206 PolarHBondContact O-N 2.75Å; E202-N206 PolarHBondContact O-ND2 3.45Å
207	A	66.3	Low	59.6	Low	55 Å²	55	156 Å²	156	46%	0.455	72%	0.721	S	S	.	*	S	Bend	trans	-66	125.2	173.8	0	0	0	0	0	109.9	V203 I209	V203-A207 WeakPolarHBondContact O-CB 3.44Å; V203-A207 PolarHBondContact O-N 3.48Å; V203-A207 VanDerWaalsContact O-N 3.09Å; A207-I209 PolarHBondContact O-N 3.2Å
208	P	53.2	Low	57.8	Low	119 Å²	119	158 Å²	158	77%	0.773	73%	0.73	S	S	*	*			trans	-61.2	132	-174.5	20.9	-30.7	0	0	0	111.1	R210	P208-R210 PolarHBondContact O-N 2.96Å
209	I	56.4	Low	55.8	Low	163 Å²	163	153.8 Å²	153.8	84%	0.836	73%	0.729	S	S	*	*			trans	-61.4	95.2	178.6	-59.4	173.1	0	0	0	108.6	A207 K211	A207-I209 PolarHBondContact O-N 3.2Å; I209-K211 PolarHBondContact O-N 3.1Å
210	R	43.6	Very low	53.8	Low	245 Å²	245	155.9 Å²	155.9	93%	0.925	74%	0.739	S	S	*	*			trans	-72.9	102.2	177	-126.3	177.1	-176.5	156.7	1.5	109.1	P208	P208-R210 PolarHBondContact O-N 2.96Å
211	K	38.7	Very low	52.1	Low	189 Å²	189	162.1 Å²	162.1	82%	0.822	75%	0.754	S	S	*	*			trans	-52.7	139.4	170.1	-75.5	178.8	178	175.1	0	110.8	I209	I209-K211 PolarHBondContact O-N 3.1Å
212	S	39.8	Very low	50.5	Low	108 Å²	108	162.9 Å²	162.9	76%	0.755	77%	0.766	S	S	*	*			trans	72.4	102.5	157.2	71.1	0	0	0	0	118.5	R214	S212-R214 VanDerWaalsContact C-N 3.31Å; S212-R214 PolarHBondContact O-N 3.06Å
213	R	40.6	Very low	48.4	Very low	262 Å²	262	164 Å²	164	99%	0.989	78%	0.78	S	S	*	*			trans	-87.5	71.7	152.2	-164.4	-176.7	-174.7	-156	2.9	108.7
214	R	47	Very low	46.3	Very low	226 Å²	226	166.7 Å²	166.7	85%	0.853	79%	0.791	S	S	*	*			trans	-154.3	73.9	167.3	-155	-178.6	-160	-160.9	5	110.3	S212	S212-R214 VanDerWaalsContact C-N 3.31Å; S212-R214 PolarHBondContact O-N 3.06Å
215	L	43.4	Very low	44.4	Very low	174 Å²	174	164.5 Å²	164.5	91%	0.911	79%	0.791	S	S	*	*			trans	177.4	152.5	148.3	-94.1	155.9	0	0	0	108.2
216	R	38.5	Very low	42.8	Very low	219 Å²	219	163.9 Å²	163.9	83%	0.826	80%	0.797	S	S	*	*			trans	88.2	53.6	-172.5	-59.8	-174.9	161	-126.4	-0.8	117.2
217	R	44.6	Very low	41.3	Very low	250 Å²	250	165.4 Å²	165.4	94%	0.943	80%	0.804	S	S	*	*	S	Bend		-94.7	89.8	127.7	-100.7	-174.7	164.9	-159.9	-3	107.2
218	K	42.4	Very low	39.7	Very low	189 Å²	189	169.1 Å²	169.1	82%	0.822	82%	0.82	S	S	*	*	S	Bend	trans	166.8	142	157.4	-102.9	176.5	174.7	-177.7	0	107.2
219	S	37.6	Very low	39.1	Very low	98 Å²	98	168.4 Å²	168.4	69%	0.685	82%	0.815	S	S	*	*			trans	78.3	80.2	-172	-53.3	0	0	0	0	114.5
220	Q	35.8	Very low	37.9	Very low	169 Å²	169	166 Å²	166	79%	0.79	81%	0.809	S	S	*	*				-170.4	71.4	113.1	-134.6	87.5	13	0	0	107.9
221	R	41.1	Very low	37.3	Very low	241 Å²	241	159.8 Å²	159.8	91%	0.909	80%	0.797	S	S	*	*			trans	-92.5	150.3	140.6	-89	-174.3	177	-177.5	-1.7	104.7
222	V	39.3	Very low	36.9	Very low	120 Å²	120	157.4 Å²	157.4	73%	0.727	79%	0.789	S	S	*	*			trans	73.6	113.4	-170.6	-146.3	0	0	0	0	109.6
223	V	33.7	Very low	36.3	Very low	132 Å²	132	159.7 Å²	159.7	80%	0.8	79%	0.786	S	S	*	*			cis	-152.2	121.2	48.4	-168	0	0	0	0	108.5
224	D	32.3	Very low	35.7	Very low	159 Å²	159	153.5 Å²	153.5	85%	0.85	77%	0.772	S	S	*	*			trans	-75.7	139.9	152.7	-87.4	-42.9	0	0	0	107.5
225	A	29.6	Very low	35	Very low	81 Å²	81	151.7 Å²	151.7	67%	0.669	77%	0.765	S	S	*	*				159.7	140	115	0	0	0	0	0	112.8
226	T	30.7	Very low	34.3	Very low	124 Å²	124	152.7 Å²	152.7	76%	0.761	76%	0.762	S	S	*	*			trans	72.4	106.2	143.3	18.4	0	0	0	0	119.1
227	I	32.2	Very low	33.8	Very low	151 Å²	151	149.3 Å²	149.3	77%	0.774	75%	0.754	S	S	*	*				-178.6	129.3	82.4	-83.9	146	0	0	0	109.2
228	V	32.2	Very low	32.9	Very low	133 Å²	133	149.7 Å²	149.7	81%	0.806	76%	0.755	S	S	*	*			trans	-111.7	139.4	160.2	169.7	0	0	0	0	103.6
229	P	42.2	Very low	32.2	Very low	103 Å²	103	149.5 Å²	149.5	67%	0.669	75%	0.754	S	S	*	*				-156.8	166.8	91.2	47.7	-27.7	0	0	0	112.7
230	T	30.4	Very low	31.8	Very low	113 Å²	113	149.5 Å²	149.5	69%	0.693	75%	0.754	S	S	*	*			cis	-177.9	163.6	1.9	10.3	0	0	0	0	109
231	V	30.7	Very low	31.4	Very low	114 Å²	114	150.5 Å²	150.5	69%	0.691	76%	0.759	S	S	*	*			trans	79.7	127.5	142.7	163.7	0	0	0	0	116.4
232	Q	30	Very low	30.8	Very low	140 Å²	140	145.3 Å²	145.3	65%	0.654	75%	0.754	S	S	*	*			cis	-161.7	141.8	3	-113.7	174.3	27.9	0	0	111.9
233	K	28.8	Very low	30.3	Very low	156 Å²	156	144.1 Å²	144.1	68%	0.678	76%	0.757	S	S	*	*			trans	63.3	110.4	136.7	-73.6	171.2	-177.7	174.2	0	119.9
234	N	27.7	Very low	30.1	Very low	131 Å²	131	143.1 Å²	143.1	70%	0.701	76%	0.756	S	S	*	*				80.9	135.2	70.8	-88.1	-23.6	0	0	0	112.8
235	R	30.9	Very low	29.8	Very low	188 Å²	188	141 Å²	141	71%	0.709	75%	0.754	S	S	*	*			cis	179.6	145.8	-1.1	-145.9	175.1	-177.7	177.5	2	105.5
236	K	29.6	Very low	29.8	Very low	195 Å²	195	149.1 Å²	149.1	85%	0.848	77%	0.767	S	S	*	*				159.2	155.2	107.6	-86.5	176.8	-175.3	171.7	0	107.6
237	K	28.2	Very low	29.7	Very low	148 Å²	148	148.2 Å²	148.2	64%	0.643	77%	0.766	S	S	*	*			cis	174.8	123.1	-24.4	-162.3	179	-168.3	-179.7	0	103.6
238	R	25.7	Very low	29.6	Very low	258 Å²	258	152.5 Å²	152.5	97%	0.974	77%	0.772	S	S	*	*			trans	-145.2	123.8	150.5	-108.6	-177.2	171.7	-159	-3.6	109.1
239	K	27.5	Very low	29.5	Very low	185 Å²	185	156.1 Å²	156.1	80%	0.804	77%	0.771	S	S	*	*			trans	-79.9	140.5	-172	-87.8	179.2	167.5	-175.5	0	111
240	S	28.7	Very low	28.9	Very low	98 Å²	98	156.7 Å²	156.7	69%	0.685	78%	0.778	S	S	*	*			trans	-77.1	163.4	152	49.8	0	0	0	0	111
241	Q	28.4	Very low	29	Very low	190 Å²	190	161.7 Å²	161.7	89%	0.888	78%	0.784	S	S	*	*				-174.5	139.1	114.8	-98.8	176.1	12.7	0	0	113.4
242	T	27.2	Very low	28.9	Very low	132 Å²	132	162.6 Å²	162.6	81%	0.81	79%	0.79	S	S	*	*			trans	-111.6	146.4	176.2	41.1	0	0	0	0	110.2
243	A	30.1	Very low	28.8	Very low	95 Å²	95	167.1 Å²	167.1	79%	0.785	80%	0.801	S	S	*	*			trans	51.2	128.2	139.3	0	0	0	0	0	121.7
244	S	29.2	Very low	28.8	Very low	112 Å²	112	165 Å²	165	78%	0.783	81%	0.806	S	S	*	*				156.3	147.2	89.8	79.2	0	0	0	0	113.4
245	S	25.7	Very low	29.6	Very low	115 Å²	115	165 Å²	165	80%	0.804	81%	0.813	S	S	*	*			trans	163.2	118.9	131.5	49.2	0	0	0	0	108.4
246	R	30.5	Very low	29.4	Very low	251 Å²	251	160.9 Å²	160.9	95%	0.947	81%	0.813	S	S	*	*				72.6	118.8	61.4	-109.7	-172.5	177.6	-175.2	2	116
247	S	26.9	Very low	29.3	Very low	105 Å²	105	158.4 Å²	158.4	73%	0.734	82%	0.815	S	S	*	*			trans	159	111.5	133.2	-179.7	0	0	0	0	111.7
248	R	30.1	Very low	29.3	Very low	241 Å²	241	155.9 Å²	155.9	91%	0.909	82%	0.821	S	S	*	*				59.3	152	103.9	-70	179	164.9	-171.9	-4.1	116.8
249	R	31.9	Very low	29.6	Very low	209 Å²	209	149.3 Å²	149.3	79%	0.789	81%	0.809	S	S	*	*			cis	165.3	143.2	-26.6	-165.3	-175.4	-164.7	-152.4	7.2	106.5
250	S	28	Very low	30.1	Very low	115 Å²	115	146.8 Å²	146.8	80%	0.804	81%	0.812	S	S	*	*			trans	150.2	134.3	144.6	52.3	0	0	0	0	110.2
251	R	33	Very low	30.2	Very low	217 Å²	217	150.9 Å²	150.9	82%	0.819	82%	0.818	S	S	*	*			cis	92.3	120.1	20.2	-149.5	-170.8	-164.9	-161.2	4.1	115.2
252	T	28.3	Very low	30.3	Very low	133 Å²	133	151.2 Å²	151.2	82%	0.816	82%	0.816	S	S	*	*			trans	178.6	157.7	146.2	42.3	0	0	0	0	108.2
253	R	28.1	Very low	30.3	Very low	235 Å²	235	150 Å²	150	89%	0.887	82%	0.819	S	S	*	*			cis	-165.4	157.5	-5.7	-107.9	166.3	93	-172.4	8	107.3
254	S	28.7	Very low	30.1	Very low	112 Å²	112	149 Å²	149	78%	0.783	82%	0.819	S	S	*	*			trans	-83	177.6	170.7	-36	0	0	0	0	111.6
255	P	44.3	Very low	30	Very low	130 Å²	130	155.8 Å²	155.8	84%	0.844	83%	0.827	S	S	*	*				-151.9	-171.5	62.1	38.7	-13.7	0	0	0	118.2
256	S	27.9	Very low	30.1	Very low	103 Å²	103	155.8 Å²	155.8	72%	0.72	82%	0.822	S	S	*	*			trans	-71.7	166	-163.6	46	0	0	0	0	122.3
257	T	27.7	Very low	29.9	Very low	143 Å²	143	152.2 Å²	152.2	88%	0.877	81%	0.814	S	S	*	*			trans	154.7	158.7	132.9	40.3	0	0	0	0	109.2
258	A	26.9	Very low	29.9	Very low	95 Å²	95	156.2 Å²	156.2	79%	0.785	82%	0.818	S	S	*	*			cis	-166.6	159.2	-26.2	0	0	0	0	0	106.2
259	V	31.6	Very low	29.7	Very low	119 Å²	119	149.9 Å²	149.9	72%	0.721	81%	0.81	S	S	*	*			trans	-79.7	167.8	-177.5	-165.3	0	0	0	0	111	K261	V259-K261 HydrophobicContact CG1-CG 4.26Å
260	P	39.3	Very low	30	Very low	132 Å²	132	145.4 Å²	145.4	86%	0.857	81%	0.809	S	S	*	*				-145.1	166.6	92.9	29.1	-7.3	0	0	0	116.8
261	K	30.5	Very low	30.7	Very low	185 Å²	185	145.5 Å²	145.5	80%	0.804	81%	0.807	S	S	*	*			trans	-98	160.6	-176.5	-64.7	170.9	172.3	176	0	112.5	V259	V259-K261 HydrophobicContact CG1-CG 4.26Å
262	K	29.5	Very low	30.2	Very low	197 Å²	197	140.8 Å²	140.8	86%	0.857	81%	0.805	S	S	*	*				153.9	125.7	117.5	-89.2	-177.1	176.8	179.1	0	112.2
263	A	28.6	Very low	30.3	Very low	105 Å²	105	140.7 Å²	140.7	87%	0.868	81%	0.807	S	S	*	*				76.7	137.8	100.9	0	0	0	0	0	113.7
264	G	25.9	Very low	30.2	Very low	76 Å²	76	138.9 Å²	138.9	78%	0.784	81%	0.806	S	S	*	*			cis	173.4	-165.3	3.7	0	0	0	0	0	108.9
265	R	27.3	Very low	30.2	Very low	253 Å²	253	139.1 Å²	139.1	96%	0.955	81%	0.807	S	S	*	*			trans	97.4	157.5	162.5	-108.3	178.6	179.7	-174.3	-0.1	120.5
266	T	27.8	Very low	29.4	Very low	115 Å²	115	141.1 Å²	141.1	71%	0.706	81%	0.805	S	S	*	*			trans	-114.7	158.8	-143.3	40.2	0	0	0	0	113.4
267	K	26.2	Very low	29.3	Very low	176 Å²	176	147.3 Å²	147.3	77%	0.765	81%	0.813	S	S	*	*				147.9	140.4	127.3	-87.1	178.6	176.2	175	0	116.2
268	K	26.9	Very low	29.2	Very low	189 Å²	189	151.8 Å²	151.8	82%	0.822	81%	0.814	S	S	*	*			trans	78.3	129.7	138.5	-75.2	178.4	175.4	-169.1	0	122.4
269	S	26	Very low	29.2	Very low	108 Å²	108	152.2 Å²	152.2	76%	0.755	81%	0.811	S	S	*	*			trans	-71.5	-179.7	153.9	49.8	0	0	0	0	111.8
270	P	37.8	Very low	29	Very low	116 Å²	116	152.4 Å²	152.4	75%	0.753	82%	0.817	S	S	*	*			cis	-138	-138.4	14.3	32.8	-4.6	0	0	0	113.6
271	P	42.1	Very low	28.6	Very low	117 Å²	117	153.2 Å²	153.2	76%	0.76	82%	0.815	S	S	*	*				-120.1	-175.5	-86.2	37.8	-19.4	0	0	0	115.9
272	C	23.9	Very low	29.1	Very low	117 Å²	117	150.3 Å²	150.3	79%	0.791	81%	0.814	S	S	*	*			trans	-47.3	170.4	172.3	-65.1	0	0	0	0	116.9
273	P	30	Very low	29.1	Very low	132 Å²	132	150.1 Å²	150.1	86%	0.857	81%	0.814	S	S	*	*				-125.9	157.5	125.4	35.7	-25.6	0	0	0	114.8
274	K	26.4	Very low	29	Very low	197 Å²	197	151 Å²	151	86%	0.857	81%	0.813	S	S	*	*			trans	-93.4	157.7	179	-60.9	168.5	175.2	171.2	0	110.6
275	S	26.9	Very low	29.2	Very low	116 Å²	116	156.7 Å²	156.7	81%	0.811	82%	0.816	S	S	*	*			trans	-148	102.1	139.3	53.8	0	0	0	0	107.7
276	Q	27.4	Very low	29.6	Very low	173 Å²	173	151 Å²	151	81%	0.808	81%	0.812	S	S	*	*				51.5	101.9	90.7	-74.5	-169.6	-15.2	0	0	113.2
277	R	26.2	Very low	29.7	Very low	232 Å²	232	156.3 Å²	156.3	88%	0.875	82%	0.819	S	S	*	*				81.4	119	81.3	-102.4	-167.5	172.6	-152.9	-0.5	114
278	R	25.2	Very low	29.7	Very low	238 Å²	238	154.8 Å²	154.8	90%	0.898	83%	0.825	S	S	*	*				169.6	110	128.4	-92.9	167.7	-178.1	-130.7	2.3	106.5
279	S	28.3	Very low	29.8	Very low	103 Å²	103	154.4 Å²	154.4	72%	0.72	83%	0.829	S	S	*	*				57.8	104.7	57.7	80.9	0	0	0	0	114.9
280	S	27.3	Very low	31	Very low	123 Å²	123	154.9 Å²	154.9	86%	0.86	83%	0.829	S	S	*	*				-174.9	117.4	129.3	50.7	0	0	0	0	110.9
281	N	30.7	Very low	30.5	Very low	150 Å²	150	154.5 Å²	154.5	80%	0.802	83%	0.829	S	S	*	*			trans	-98.5	158.1	153.6	-136.6	4.5	0	0	0	106.1
282	P	39.9	Very low	29.9	Very low	123 Å²	123	154.3 Å²	154.3	80%	0.799	83%	0.831	S	S	*	*				-149.1	170.6	102.5	32.7	-12.3	0	0	0	116.6
283	K	29.7	Very low	30.1	Very low	194 Å²	194	154.7 Å²	154.7	84%	0.843	83%	0.834	S	S	*	*			trans	-67.7	159.1	-175.3	-58.4	161.7	172.4	173	0	114.9
284	S	28.1	Very low	30.1	Very low	123 Å²	123	160.7 Å²	160.7	86%	0.86	84%	0.84	S	S	*	*				178.9	144.8	117	50.4	0	0	0	0	114.3
285	K	30	Very low	30.1	Very low	195 Å²	195	154.8 Å²	154.8	85%	0.848	84%	0.835	S	S	*	*			trans	-77.1	175.1	169.7	-60.3	175.9	172.1	175.2	0	111.6
286	P	35.7	Very low	30.1	Very low	133 Å²	133	153.7 Å²	153.7	86%	0.864	83%	0.833	S	S	*	*				-147.2	176.9	86.6	31.2	-8.8	0	0	0	116.7
287	R	28.5	Very low	30	Very low	227 Å²	227	154.6 Å²	154.6	86%	0.857	84%	0.837	S	S	*	*			trans	-87.6	154.1	177.8	-74.5	172.1	155.3	-159.5	-3.9	112.4
288	T	27.3	Very low	30.1	Very low	145 Å²	145	149.7 Å²	149.7	89%	0.89	83%	0.833	S	S	*	*				168.8	153.1	118.5	32.2	0	0	0	0	114
289	M	28.1	Very low	31.3	Very low	181 Å²	181	143.6 Å²	143.6	89%	0.892	83%	0.825	S	S	*	*			trans	-100.9	-168.9	169.4	-71.2	-85.6	-172.7	0	0	109.8
290	P	51.6	Low	31.1	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	83%	0.83	S	S	*	*			cis	-139.1	177.7	-9.2	36.7	-16.8	0	0	0	116.1
291	S	27.1	Very low	31.1	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	83%	0.831	S	S	*	*			trans	-174.8	115.7	142.5	59	0	0	0	0	116.9
292	S	28.8	Very low	30.9	Very low	114 Å²	114	155.5 Å²	155.5	80%	0.797	84%	0.839	S	S	*	*			trans	24.3	138.7	136	65	0	0	0	0	123
293	S	29.6	Very low	30.3	Very low	124 Å²	124	161.1 Å²	161.1	87%	0.867	84%	0.844	S	S	*	*				-163.5	168.1	79.9	56.8	0	0	0	0	115.2
294	R	29.8	Very low	30.2	Very low	258 Å²	258	160.9 Å²	160.9	97%	0.974	85%	0.846	S	S	*	*			trans	-108.7	164.6	-163.3	-78.1	172.9	160.6	175.8	-5.4	114.4
295	G	26	Very low	30.1	Very low	74 Å²	74	161 Å²	161	76%	0.763	85%	0.847	S	S	*	*			trans	137.1	109.5	147.7	0	0	0	0	0	112.5
296	A	27.1	Very low	29.9	Very low	92 Å²	92	157 Å²	157	76%	0.76	84%	0.844	S	S	*	*			cis	80.9	101.6	40.9	0	0	0	0	0	115.4
297	Q	25.8	Very low	29.6	Very low	192 Å²	192	160.9 Å²	160.9	90%	0.897	85%	0.847	S	S	*	*				150.9	131.9	119.1	-76.3	-173.5	48.9	0	0	115.3
298	T	27.1	Very low	29.6	Very low	129 Å²	129	159.1 Å²	159.1	79%	0.791	85%	0.848	S	S	*	*			trans	-75.3	-165.5	164.1	43.6	0	0	0	0	112.4
299	P	50.3	Low	29.7	Very low	111 Å²	111	161.5 Å²	161.5	72%	0.721	85%	0.849	S	S	*	*			cis	-133.9	-173.5	-31.3	23.9	0.8	0	0	0	113
300	V	24.8	Very low	29.6	Very low	138 Å²	138	156.5 Å²	156.5	84%	0.836	84%	0.844	S	S	*	*				179.4	141.9	127.1	156.6	0	0	0	0	113.7
301	R	27.5	Very low	28.7	Very low	232 Å²	232	155.4 Å²	155.4	88%	0.875	84%	0.839	S	S	*	*			trans	-44.1	153.5	-176.5	-68	165.5	158.7	-179.8	-5.6	121.2
302	R	25.5	Very low	29.1	Very low	256 Å²	256	155.9 Å²	155.9	97%	0.966	84%	0.84	S	S	*	*				-148	155.4	124.7	-128.5	176.6	-179.8	-174.6	-0.3	113.4
303	R	27.4	Very low	29.4	Very low	240 Å²	240	159.5 Å²	159.5	91%	0.906	84%	0.841	S	S	*	*			trans	-82.9	163.5	-149.1	-84.9	174	158.2	-178.1	-6.3	117.4
304	Q	28.2	Very low	29.7	Very low	190 Å²	190	162.5 Å²	162.5	89%	0.888	84%	0.839	S	S	*	*			trans	-53.4	154.8	174.7	-67	157.5	-31.7	0	0	116.9
305	S	26.2	Very low	30.3	Very low	125 Å²	125	161.7 Å²	161.7	87%	0.874	84%	0.836	S	S	*	*			trans	-141.8	138.7	130.2	93.4	0	0	0	0	110.5
306	S	26.9	Very low	31.2	Very low	112 Å²	112	167.7 Å²	167.7	78%	0.783	84%	0.835	S	S	*	*			trans	-90.1	138.6	-167.9	48.7	0	0	0	0	113.6
307	K	27.3	Very low	32	Very low	213 Å²	213	167.6 Å²	167.6	93%	0.926	83%	0.827	S	S	*	*			trans	-139.9	139.9	146.2	-89.5	-172.2	178.9	177.3	0	110.3
308	Q	29	Very low	33.6	Very low	191 Å²	191	164 Å²	164	89%	0.893	82%	0.819	S	S	*	*			trans	-68.9	147.6	-158.6	-73.1	172.7	-41	0	0	116.1
309	E	29.7	Very low	35.9	Very low	194 Å²	194	159.3 Å²	159.3	91%	0.907	79%	0.79	S	S	*	*			trans	-8.2	126.5	157.2	-65.6	174.7	146.9	0	0	120
310	G	26.8	Very low	37.5	Very low	76 Å²	76	157.2 Å²	157.2	78%	0.784	78%	0.775	S	S	*	*			trans	-135.8	115	145.9	0	0	0	0	0	108.7
311	S	32.1	Very low	40.5	Very low	94 Å²	94	152.4 Å²	152.4	66%	0.657	75%	0.747	S	S	*	*			trans	-43	133.1	176.7	160.4	0	0	0	0	113.3	F313	S311-F313 PolarHBondContact O-N 3.16Å
312	P	36.1	Very low	43.2	Very low	118 Å²	118	141.4 Å²	141.4	77%	0.766	71%	0.705	S	S	*	*			trans	-73.3	99.1	167.4	29.4	-27.7	0	0	0	107.5	K314	P312-K314 PolarHBondContact O-N 3Å
313	F	34.6	Very low	46.4	Very low	190 Å²	190	130.7 Å²	130.7	83%	0.833	67%	0.668	S	S	*	*			trans	-44.7	111.1	161.6	-94.3	-90.4	0	0	0	108.3	S311 R315	S311-F313 PolarHBondContact O-N 3.16Å; F313-R315 VanDerWaalsContact C-N 3.35Å; F313-R315 PolarHBondContact O-N 2.83Å
314	K	36.6	Very low	49.5	Very low	187 Å²	187	119.2 Å²	119.2	81%	0.813	63%	0.625	S	S	*	*			trans	-57.6	98.1	173.1	-71.2	-179.8	179	178.3	0	107.8	P312 R316	P312-K314 PolarHBondContact O-N 3Å; K314-R316 PolarHBondContact O-N 3.01Å
315	R	42.2	Very low	52.5	Low	241 Å²	241	110.2 Å²	110.2	91%	0.909	58%	0.583	S	S	*	*			trans	-56.7	130.3	174.4	-70.4	-176.3	178.9	179.5	-0.4	108.2	F313	F313-R315 VanDerWaalsContact C-N 3.35Å; F313-R315 PolarHBondContact O-N 2.83Å
316	R	43.6	Very low	55.8	Low	200 Å²	200	104.3 Å²	104.3	76%	0.755	54%	0.541	S	S	*	.			trans	-58	142.4	175.3	-71.3	176.8	176.3	171.8	-1.4	108.7	K314 T318	K314-R316 PolarHBondContact O-N 3.01Å; R316-T318 PolarHBondContact O-N 3.08Å
317	P	45.5	Very low	58.9	Low	91 Å²	91	103.2 Å²	103.2	59%	0.591	52%	0.52	S	S	*	.			trans	-65	105.8	165.3	-4.7	19.2	0	0	0	107.2	M404	P317-M404 WeakPolarHBondContact O-CE 3.46Å
318	T	58.1	Low	61.9	Low	117 Å²	117	95.6 Å²	95.6	72%	0.718	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-90.5	123.3	173.9	40.3	0	0	0	0	108.3	R316	R316-T318 PolarHBondContact O-N 3.08Å
319	V	75.6	Confident	64.5	Low	30 Å²	30	87.1 Å²	87.1	18%	0.182	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-72.6	142.9	168.3	-175.2	0	0	0	0	107	P321 V323 M404 G433 A436	V319-P321 WeakPolarHBondContact O-CD 3.19Å; V319-V323 HydrophobicContact CG1-CB 4.19Å; V319-V323 WeakPolarHBondContact CG1-O 3.31Å; V319-M404 HydrophobicContact CG2-CE 3.54Å; V319-G433 PolarHBondContact N-O 3.48Å; V319-G433 CarbonylContact O-C 3.46Å; V319-G433 WeakPolarHBondContact O-CA 3.27Å; V319-A436 HydrophobicContact CG2-CB 4.02Å
320	T	83.9	Confident	67	Low	66 Å²	66	79.3 Å²	79.3	41%	0.405	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-56.8	125.8	172.9	-53.2	0	0	0	0	109.1	G322 V323 F690	T320-G322 PolarHBondContact O-N 3.11Å; T320-V323 HydrophobicContact CG2-CG2 4.16Å; T320-V323 WeakPolarHBondContact O-CB 3.37Å; T320-V323 PolarHBondContact O-N 3.19Å; T320-F690 HydrophobicContact CG2-CE1 4.42Å; T320-F690 HydrophobicContact CG2-CZ 4.05Å
321	P	87.3	Confident	69.9	Low	38 Å²	38	78.9 Å²	78.9	25%	0.247	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	139.4	176.2	-29.6	36.6	0	0	0	112.5	V319 V323 W431 N685 E687	V319-P321 WeakPolarHBondContact O-CD 3.19Å; P321-V323 PolarHBondContact O-N 3.28Å; P321-W431 HydrophobicContact CB-CE3 3.81Å; P321-W431 HydrophobicContact CB-CZ3 4.36Å; P321-N685 PolarHBondContact O-ND2 3.48Å; P321-E687 VanDerWaalsContact CB-OE2 3.29Å; P321-E687 WeakPolarHBondContact CB-OE2 3.23Å
322	G	85.4	Confident	72.9	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	-13.3	-175.3	0	0	0	0	0	114.3	T320 T324 H344 M430	T320-G322 PolarHBondContact O-N 3.11Å; G322-T324 VanDerWaalsContact C-N 3.29Å; G322-T324 PolarHBondContact O-N 3.28Å; G322-H344 PolarHBondContact O-CE1 3.32Å; G322-H344 VanDerWaalsContact O-CE1 3.31Å; G322-H344 PolarHBondContact O-NE2 3.27Å; G322-M430 PolarHBondContact N-O 3Å
323	V	91.6	Very high	75.7	Confident	31 Å²	31	69.1 Å²	69.1	19%	0.188	34%	0.336	C	S	.	.			trans	-92.3	59.5	175.6	-166.4	0	0	0	0	110.6	V319 T320 P321 F690 V692 L699	V319-V323 HydrophobicContact CG1-CB 4.19Å; V319-V323 WeakPolarHBondContact CG1-O 3.31Å; T320-V323 HydrophobicContact CG2-CG2 4.16Å; T320-V323 WeakPolarHBondContact O-CB 3.37Å; T320-V323 PolarHBondContact O-N 3.19Å; P321-V323 PolarHBondContact O-N 3.28Å; V323-F690 HydrophobicContact CG2-CE2 4.13Å; V323-F690 HydrophobicContact CG2-CZ 4.1Å; V323-V692 HydrophobicContact CG2-CG2 4.49Å; V323-L699 HydrophobicContact CB-CD2 4.33Å; V323-L699 HydrophobicContact CG1-CB 4.06Å; V323-L699 HydrophobicContact CG1-CD2 3.84Å
324	T	92.3	Very high	78.6	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.297	C	S	.	.			trans	-120.3	121.9	179.2	-58.9	0	0	0	0	111	G322 Q340 M430 W435 V438	G322-T324 VanDerWaalsContact C-N 3.29Å; G322-T324 PolarHBondContact O-N 3.28Å; T324-Q340 PolarHBondContact O-NE2 3.48Å; T324-M430 HydrophobicContact CG2-CG 4.27Å; T324-M430 PolarHBondContact OG1-O 2.9Å; T324-M430 VanDerWaalsContact OG1-O 3.07Å; T324-W435 HydrophobicContact CG2-CB 4.44Å; T324-W435 WeakPolarHBondContact CG2-O 3.15Å; T324-W435 PolarHBondContact OG1-O 2.88Å; T324-V438 HydrophobicContact CG2-CB 4.25Å; T324-V438 HydrophobicContact CG2-CG2 3.46Å; T324-V438 VanDerWaalsContact CG2-CG2 3.46Å
325	G	92.7	Very high	81.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	151.2	174.9	0	0	0	0	0	113.7	A436 L437 V438 D696	G325-A436 PolarHBondContact N-O 3.31Å; G325-L437 CarbonylContact O-C 3.56Å; G325-L437 WeakPolarHBondContact O-CA 3.19Å; G325-V438 PolarHBondContact O-N 3.08Å; G325-D696 CarbonylContact C-O 3.56Å; G325-D696 WeakPolarHBondContact CA-O 3.43Å
326	L	94.6	Very high	84.1	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	118.1	173.9	-63	-179.6	0	0	0	109.4	N328 N336 L339 Q340 L426 M430 V438 P440 D696 S697	L326-N328 PolarHBondContact O-N 3.22Å; L326-N336 HydrophobicContact CB-CB 4.12Å; L326-N336 HydrophobicContact CD1-CB 4.24Å; L326-N336 PolarHBondContact O-ND2 3.16Å; L326-L339 HydrophobicContact CD1-CB 3.9Å; L326-L339 HydrophobicContact CD1-CD1 4.34Å; L326-Q340 HydrophobicContact CD1-CG 4.08Å; L326-L426 HydrophobicContact CD2-CD1 4.12Å; L326-M430 HydrophobicContact CD2-SD 4.16Å; L326-V438 CarbonylContact C-O 3.54Å; L326-V438 WeakPolarHBondContact CA-O 3.46Å; L326-V438 HydrophobicContact CD2-CB 4.24Å; L326-P440 HydrophobicContact CD2-CG 4.38Å; L326-D696 PolarHBondContact N-O 3.12Å; L326-D696 CarbonylContact O-C 3.56Å; L326-D696 WeakPolarHBondContact O-CA 3.36Å; L326-D696 WeakPolarHBondContact O-CB 3.41Å; L326-S697 PolarHBondContact O-N 2.95Å
327	R	91.2	Very high	86.7	Confident	90 Å²	90	30.6 Å²	30.6	34%	0.34	18%	0.181	S	C	.	.			trans	-64	133.9	178.9	-172.7	174.3	-72.9	-84.5	4.9	109.8	L329 N336 E405 L437 V438 S439	R327-L329 HydrophobicContact CB-CD2 4.45Å; R327-L329 HydrophobicContact CG-CD2 4.33Å; R327-L329 PolarHBondContact O-N 3.43Å; R327-N336 PolarHBondContact O-ND2 2.9Å; R327-E405 IonicContact CZ-OE1 3.83Å; R327-E405 VanDerWaalsContact CZ-OE1 3.22Å; R327-E405 IonicContact NE-OE1 2.7Å; R327-E405 PolarHBondContact NE-OE1 2.78Å; R327-E405 VanDerWaalsContact NH2-CD 3.33Å; R327-E405 IonicContact NH2-OE1 3.91Å; R327-E405 PolarHBondContact NH2-OE1 3.29Å; R327-E405 IonicContact NH2-OE2 3.49Å; R327-E405 PolarHBondContact NH2-OE2 3.41Å; R327-L437 HydrophobicContact CB-CD1 4.26Å; R327-V438 PolarHBondContact N-O 3.45Å; R327-S439 WeakPolarHBondContact CB-OG 3.42Å; R327-S439 WeakPolarHBondContact CD-OG 3.39Å
328	N	90.9	Very high	89.2	Confident	53 Å²	53	26.3 Å²	26.3	28%	0.283	15%	0.152	S	C	.	.			trans	-70.5	124.3	170.5	-159.9	-43.9	0	0	0	109.6	L326 G330 N331 T332 D696	L326-N328 PolarHBondContact O-N 3.22Å; N328-G330 PolarHBondContact OD1-N 2.87Å; N328-N331 PolarHBondContact OD1-N 3.4Å; N328-N331 VanDerWaalsContact OD1-N 3.16Å; N328-T332 WeakPolarHBondContact CA-OG1 3.44Å; N328-T332 PolarHBondContact OD1-N 2.99Å; N328-T332 PolarHBondContact OD1-OG1 3.41Å; N328-D696 HydrophobicContact CB-CB 4.33Å; N328-D696 WeakPolarHBondContact CB-OD2 2.97Å; N328-D696 PolarHBondContact ND2-OD2 3.26Å
329	L	84.4	Confident	91.1	Very high	13 Å²	13	20.7 Å²	20.7	7%	0.068	12%	0.118	C	C	.	.			trans	-102.7	20.1	-177.9	-56.9	-177.4	0	0	0	112.5	R327 T332 P440 F441 L444 Y457	R327-L329 HydrophobicContact CB-CD2 4.45Å; R327-L329 HydrophobicContact CG-CD2 4.33Å; R327-L329 PolarHBondContact O-N 3.43Å; L329-T332 HydrophobicContact CB-CG2 4.05Å; L329-T332 PolarHBondContact N-OG1 3.46Å; L329-P440 HydrophobicContact CD1-CG 4.37Å; L329-F441 HydrophobicContact CD1-CD1 3.69Å; L329-F441 HydrophobicContact CD1-CD2 4.4Å; L329-F441 HydrophobicContact CD1-CE1 3.91Å; L329-F441 HydrophobicContact CD1-CG 3.96Å; L329-F441 HydrophobicContact CD1-CZ 4.36Å; L329-F441 HydrophobicContact CD2-CD1 4.29Å; L329-F441 HydrophobicContact CD2-CD2 4.48Å; L329-F441 HydrophobicContact CD2-CE1 3.68Å; L329-F441 HydrophobicContact CD2-CE2 3.9Å; L329-F441 HydrophobicContact CD2-CZ 3.46Å; L329-F441 VanDerWaalsContact CD2-CZ 3.46Å; L329-F441 HydrophobicContact CG-CE1 4.28Å; L329-F441 HydrophobicContact CG-CZ 4.49Å; L329-L444 HydrophobicContact CB-CD2 3.76Å; L329-L444 HydrophobicContact CD1-CB 4.3Å; L329-L444 HydrophobicContact CD1-CD2 3.83Å; L329-L444 HydrophobicContact CG-CD2 4.44Å; L329-Y457 WeakPolarHBondContact O-CD1 3.25Å; L329-Y457 WeakPolarHBondContact O-CE1 3.49Å
330	G	81	Confident	92.2	Very high	30 Å²	30	19.5 Å²	19.5	31%	0.309	11%	0.111	S	C	.	.	S	Bend	trans	107.6	96.4	-179.5	0	0	0	0	0	111.5	N328 T332	N328-G330 PolarHBondContact OD1-N 2.87Å; G330-T332 WeakPolarHBondContact O-CG2 3.4Å; G330-T332 PolarHBondContact O-N 3.37Å; G330-T332 VanDerWaalsContact O-N 3.1Å
331	N	89	Confident	92.8	Very high	67 Å²	67	16.4 Å²	16.4	36%	0.358	9%	0.092	S	C	.	.	S	Bend	trans	53.2	26.3	-176.4	-69.3	-42	0	0	0	114.7	N328 C333 Y334 Y457 Q459	N328-N331 PolarHBondContact OD1-N 3.4Å; N328-N331 VanDerWaalsContact OD1-N 3.16Å; N331-C333 VanDerWaalsContact C-N 3.33Å; N331-C333 PolarHBondContact O-N 3.48Å; N331-Y334 WeakPolarHBondContact O-CD1 3.19Å; N331-Y334 VanDerWaalsContact O-CE1 3.26Å; N331-Y334 WeakPolarHBondContact O-CE1 3.18Å; N331-Y457 VanDerWaalsContact CB-O 3.3Å; N331-Y457 WeakPolarHBondContact CB-O 3.23Å; N331-Y457 PolarHBondContact ND2-O 2.95Å; N331-Q459 HydrophobicContact CB-CG 3.96Å; N331-Q459 PolarHBondContact OD1-NE2 3.21Å
332	T	93.9	Very high	93.2	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.012	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.7	-178.2	56.1	0	0	0	0	114.1	N328 L329 G330 Y334 M335 N336 L444	N328-T332 WeakPolarHBondContact CA-OG1 3.44Å; N328-T332 PolarHBondContact OD1-N 2.99Å; N328-T332 PolarHBondContact OD1-OG1 3.41Å; L329-T332 HydrophobicContact CB-CG2 4.05Å; L329-T332 PolarHBondContact N-OG1 3.46Å; G330-T332 WeakPolarHBondContact O-CG2 3.4Å; G330-T332 PolarHBondContact O-N 3.37Å; G330-T332 VanDerWaalsContact O-N 3.1Å; T332-Y334 PolarHBondContact O-N 2.72Å; T332-M335 HydrophobicContact CG2-CE 4.46Å; T332-M335 WeakPolarHBondContact O-CB 3.35Å; T332-M335 PolarHBondContact O-N 2.6Å; T332-N336 PolarHBondContact O-N 2.91Å; T332-L444 HydrophobicContact CG2-CD1 3.86Å; T332-L444 HydrophobicContact CG2-CD2 4.1Å
333	C	95.6	Very high	93.7	Very high	4 Å²	4	14.6 Å²	14.6	3%	0.027	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-31.2	-177.4	53.6	0	0	0	0	112.8	N331 M335 N336 S337 H678 Y679	N331-C333 VanDerWaalsContact C-N 3.33Å; N331-C333 PolarHBondContact O-N 3.48Å; C333-M335 PolarHBondContact O-N 2.79Å; C333-N336 PolarHBondContact O-N 2.83Å; C333-S337 WeakPolarHBondContact O-CB 3.31Å; C333-S337 PolarHBondContact O-N 3.32Å; C333-S337 PolarHBondContact O-OG 3.31Å; C333-H678 VanDerWaalsContact CB-CE1 3.44Å; C333-H678 WeakPolarHBondContact CB-CE1 3.34Å; C333-H678 WeakPolarHBondContact CB-ND1 3.47Å; C333-H678 PolarHBondContact SG-ND1 3.48Å; C333-H678 VanDerWaalsContact SG-ND1 3.37Å; C333-Y679 PolarHBondContact SG-N 2.95Å; C333-Y679 VanDerWaalsContact SG-N 3.45Å
334	Y	95.9	Very high	93.8	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.016	7%	0.073	C	C	.	.	H	α-helix	trans	-57.9	-48.2	171.8	73.7	-86.2	0	0	0	110.7	N331 T332 S337 I338 F454 Q460 F465	N331-Y334 WeakPolarHBondContact O-CD1 3.19Å; N331-Y334 VanDerWaalsContact O-CE1 3.26Å; N331-Y334 WeakPolarHBondContact O-CE1 3.18Å; T332-Y334 PolarHBondContact O-N 2.72Å; Y334-S337 PolarHBondContact O-OG 3.46Å; Y334-I338 WeakPolarHBondContact O-CG1 3.47Å; Y334-I338 PolarHBondContact O-N 3.04Å; Y334-F454 AromaticContact CE2-CD1 3.73Å; Y334-F454 HydrophobicContact CE2-CD1 3.73Å; Y334-F454 HydrophobicContact CE2-CE1 4.27Å; Y334-Q460 WeakPolarHBondContact CB-O 3.3Å; Y334-Q460 HydrophobicContact CD1-CB 3.89Å; Y334-Q460 HydrophobicContact CD1-CG 4.46Å; Y334-Q460 HydrophobicContact CD2-CB 3.95Å; Y334-Q460 HydrophobicContact CE1-CB 3.8Å; Y334-Q460 HydrophobicContact CE1-CG 3.91Å; Y334-Q460 HydrophobicContact CE2-CB 3.87Å; Y334-Q460 HydrophobicContact CE2-CG 4.37Å; Y334-Q460 HydrophobicContact CG-CB 3.98Å; Y334-F465 HydrophobicContact CD2-CB 3.66Å; Y334-F465 HydrophobicContact CD2-CD1 4.03Å; Y334-F465 HydrophobicContact CD2-CD2 4.32Å; Y334-F465 AromaticContact CD2-CG 3.72Å; Y334-F465 HydrophobicContact CD2-CG 3.72Å; Y334-F465 HydrophobicContact CE2-CB 3.82Å; Y334-F465 HydrophobicContact CE2-CD1 4.15Å; Y334-F465 AromaticContact CE2-CD2 3.72Å; Y334-F465 HydrophobicContact CE2-CD2 3.72Å; Y334-F465 HydrophobicContact CE2-CE2 4.37Å; Y334-F465 AromaticContact CE2-CG 3.59Å; Y334-F465 HydrophobicContact CE2-CG 3.59Å
335	M	96.8	Very high	93.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-65.3	-47.5	177.7	177.2	-175.1	80	0	0	111.2	T332 C333 S337 I338 L339 P440 M443 L444 V447 F465	T332-M335 HydrophobicContact CG2-CE 4.46Å; T332-M335 WeakPolarHBondContact O-CB 3.35Å; T332-M335 PolarHBondContact O-N 2.6Å; C333-M335 PolarHBondContact O-N 2.79Å; M335-S337 VanDerWaalsContact C-N 3.33Å; M335-S337 PolarHBondContact O-N 2.99Å; M335-I338 PolarHBondContact O-N 3.49Å; M335-L339 HydrophobicContact CE-CD1 4.24Å; M335-L339 HydrophobicContact CG-CD1 3.62Å; M335-L339 HydrophobicContact CG-CG 4.12Å; M335-L339 WeakPolarHBondContact O-CB 3.43Å; M335-L339 VanDerWaalsContact O-CG 3.3Å; M335-L339 WeakPolarHBondContact O-CG 3.18Å; M335-L339 PolarHBondContact O-N 3.21Å; M335-L339 HydrophobicContact SD-CD1 4.22Å; M335-P440 HydrophobicContact CE-CG 4.19Å; M335-M443 HydrophobicContact SD-CG 4.42Å; M335-L444 HydrophobicContact CE-CB 4.19Å; M335-L444 HydrophobicContact CE-CD1 4.12Å; M335-L444 HydrophobicContact SD-CB 4.49Å; M335-L444 HydrophobicContact SD-CD1 4.01Å; M335-V447 HydrophobicContact SD-CG2 4.47Å; M335-F465 HydrophobicContact CB-CD1 4.38Å; M335-F465 HydrophobicContact CB-CE1 3.91Å; M335-F465 HydrophobicContact CB-CZ 4.09Å; M335-F465 HydrophobicContact CG-CE1 3.71Å; M335-F465 HydrophobicContact CG-CE2 4.44Å; M335-F465 HydrophobicContact CG-CZ 3.59Å; M335-F465 HydrophobicContact SD-CZ 4.43Å
336	N	97.6	Very high	93.4	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.011	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-44.5	-179.7	-69.9	-14.6	0	0	0	111.7	L326 R327 T332 C333 I338 L339 Q340 D696	L326-N336 HydrophobicContact CB-CB 4.12Å; L326-N336 HydrophobicContact CD1-CB 4.24Å; L326-N336 PolarHBondContact O-ND2 3.16Å; R327-N336 PolarHBondContact O-ND2 2.9Å; T332-N336 PolarHBondContact O-N 2.91Å; C333-N336 PolarHBondContact O-N 2.83Å; N336-I338 VanDerWaalsContact C-N 3.34Å; N336-I338 PolarHBondContact O-N 3.22Å; N336-L339 PolarHBondContact O-N 2.93Å; N336-Q340 WeakPolarHBondContact O-CB 3.48Å; N336-Q340 WeakPolarHBondContact O-CG 3.3Å; N336-Q340 PolarHBondContact O-N 3.39Å; N336-D696 WeakPolarHBondContact CB-OD1 3.21Å; N336-D696 PolarHBondContact ND2-OD1 3Å
337	S	98.1	Very high	92.8	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.028	10%	0.103	C	C	.	.	H	α-helix	trans	-59.8	-44.1	178.2	71.6	0	0	0	0	111.7	C333 Y334 M335 Q340 V341	C333-S337 WeakPolarHBondContact O-CB 3.31Å; C333-S337 PolarHBondContact O-N 3.32Å; C333-S337 PolarHBondContact O-OG 3.31Å; Y334-S337 PolarHBondContact O-OG 3.46Å; M335-S337 VanDerWaalsContact C-N 3.33Å; M335-S337 PolarHBondContact O-N 2.99Å; S337-Q340 PolarHBondContact O-N 3.19Å; S337-V341 WeakPolarHBondContact O-CG2 3.18Å; S337-V341 PolarHBondContact O-N 3.48Å; S337-V341 VanDerWaalsContact O-N 3.11Å
338	I	98.2	Very high	92.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.5	-44.4	178.2	-66.3	-54.2	0	0	0	112.1	Y334 M335 N336 Q340 V341 L342 A462 F465 L466 V667 I714	Y334-I338 WeakPolarHBondContact O-CG1 3.47Å; Y334-I338 PolarHBondContact O-N 3.04Å; M335-I338 PolarHBondContact O-N 3.49Å; N336-I338 VanDerWaalsContact C-N 3.34Å; N336-I338 PolarHBondContact O-N 3.22Å; I338-Q340 VanDerWaalsContact C-N 3.3Å; I338-Q340 PolarHBondContact O-N 2.96Å; I338-V341 PolarHBondContact O-N 3.45Å; I338-L342 HydrophobicContact CG2-CD1 3.91Å; I338-L342 HydrophobicContact CG2-CG 4.22Å; I338-L342 WeakPolarHBondContact O-CG 3.39Å; I338-L342 PolarHBondContact O-N 2.7Å; I338-A462 HydrophobicContact CD1-CB 4.17Å; I338-A462 HydrophobicContact CG1-CB 4.08Å; I338-A462 WeakPolarHBondContact CG1-O 3.3Å; I338-F465 HydrophobicContact CB-CD1 3.95Å; I338-F465 HydrophobicContact CB-CE1 4.09Å; I338-F465 HydrophobicContact CG1-CD1 4.04Å; I338-F465 HydrophobicContact CG2-CD1 4.06Å; I338-F465 HydrophobicContact CG2-CE1 4.05Å; I338-L466 HydrophobicContact CD1-CB 3.98Å; I338-L466 HydrophobicContact CD1-CD2 4.3Å; I338-L466 HydrophobicContact CG1-CB 4.23Å; I338-L466 HydrophobicContact CG2-CB 4.06Å; I338-L466 HydrophobicContact CG2-CD1 3.66Å; I338-L466 HydrophobicContact CG2-CG 4.41Å; I338-V667 HydrophobicContact CD1-CG2 4.11Å; I338-I714 HydrophobicContact CD1-CD1 4.23Å
339	L	97.8	Very high	92.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62	-39.4	177.7	-70	173.4	0	0	0	111.6	L326 M335 N336 S343 L423 L426 M443 L469	L326-L339 HydrophobicContact CD1-CB 3.9Å; L326-L339 HydrophobicContact CD1-CD1 4.34Å; M335-L339 HydrophobicContact CE-CD1 4.24Å; M335-L339 HydrophobicContact CG-CD1 3.62Å; M335-L339 HydrophobicContact CG-CG 4.12Å; M335-L339 WeakPolarHBondContact O-CB 3.43Å; M335-L339 VanDerWaalsContact O-CG 3.3Å; M335-L339 WeakPolarHBondContact O-CG 3.18Å; M335-L339 PolarHBondContact O-N 3.21Å; M335-L339 HydrophobicContact SD-CD1 4.22Å; N336-L339 PolarHBondContact O-N 2.93Å; L339-S343 VanDerWaalsContact O-CB 3.31Å; L339-S343 WeakPolarHBondContact O-CB 3.2Å; L339-S343 PolarHBondContact O-N 3.2Å; L339-S343 PolarHBondContact O-OG 2.83Å; L339-L423 HydrophobicContact CD2-CD2 3.74Å; L339-L426 HydrophobicContact CD1-CD2 3.9Å; L339-L426 HydrophobicContact CD2-CD2 4.38Å; L339-M443 HydrophobicContact CD1-CG 3.9Å; L339-M443 HydrophobicContact CD2-CE 4.22Å; L339-M443 HydrophobicContact CD2-CG 4.47Å; L339-M443 HydrophobicContact CD2-SD 4.48Å; L339-L469 HydrophobicContact CD2-CD2 4.42Å
340	Q	97.8	Very high	92.1	Very high	4 Å²	4	15 Å²	15	2%	0.019	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-49.3	173.7	-72.9	-72.1	7.5	0	0	111	T324 L326 N336 S337 I338 S343 H344 C694	T324-Q340 PolarHBondContact O-NE2 3.48Å; L326-Q340 HydrophobicContact CD1-CG 4.08Å; N336-Q340 WeakPolarHBondContact O-CB 3.48Å; N336-Q340 WeakPolarHBondContact O-CG 3.3Å; N336-Q340 PolarHBondContact O-N 3.39Å; S337-Q340 PolarHBondContact O-N 3.19Å; I338-Q340 VanDerWaalsContact C-N 3.3Å; I338-Q340 PolarHBondContact O-N 2.96Å; Q340-S343 PolarHBondContact O-N 2.72Å; Q340-S343 PolarHBondContact O-OG 2.84Å; Q340-H344 PolarHBondContact O-N 2.82Å; Q340-H344 PolarHBondContact O-ND1 2.9Å; Q340-C694 HydrophobicContact CB-CB 4.17Å; Q340-C694 HydrophobicContact CG-CB 3.86Å
341	V	97.9	Very high	91.9	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-59.2	-53.2	177.8	171.5	0	0	0	0	111.5	S337 I338 S343 H344 L345 A665 V667 A681 F716	S337-V341 WeakPolarHBondContact O-CG2 3.18Å; S337-V341 PolarHBondContact O-N 3.48Å; S337-V341 VanDerWaalsContact O-N 3.11Å; I338-V341 PolarHBondContact O-N 3.45Å; V341-S343 PolarHBondContact O-N 3.07Å; V341-H344 PolarHBondContact O-N 2.8Å; V341-L345 HydrophobicContact CG1-CG 4.49Å; V341-L345 WeakPolarHBondContact O-CG 3.41Å; V341-L345 PolarHBondContact O-N 3.38Å; V341-L345 VanDerWaalsContact O-N 3.15Å; V341-A665 HydrophobicContact CB-CB 4.26Å; V341-A665 HydrophobicContact CG1-CB 3.71Å; V341-A665 HydrophobicContact CG2-CB 3.79Å; V341-V667 HydrophobicContact CG2-CG2 3.75Å; V341-A681 HydrophobicContact CG2-CB 3.99Å; V341-F716 HydrophobicContact CB-CE2 4.48Å; V341-F716 HydrophobicContact CG1-CD1 3.74Å; V341-F716 HydrophobicContact CG1-CD2 3.7Å; V341-F716 HydrophobicContact CG1-CE1 3.7Å; V341-F716 HydrophobicContact CG1-CE2 3.69Å; V341-F716 HydrophobicContact CG1-CG 3.73Å; V341-F716 HydrophobicContact CG1-CZ 3.67Å; V341-F716 HydrophobicContact CG2-CE2 4.39Å
342	L	95.6	Very high	91.3	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-58	-38.3	-178.9	-69.4	177.8	0	0	0	111.9	I338 H344 L345 F348 F427 L466 L469 L470 F506	I338-L342 HydrophobicContact CG2-CD1 3.91Å; I338-L342 HydrophobicContact CG2-CG 4.22Å; I338-L342 WeakPolarHBondContact O-CG 3.39Å; I338-L342 PolarHBondContact O-N 2.7Å; L342-H344 VanDerWaalsContact C-N 3.27Å; L342-H344 PolarHBondContact O-N 3.07Å; L342-L345 HydrophobicContact CD2-CD1 4.19Å; L342-L345 PolarHBondContact O-N 2.71Å; L342-F348 HydrophobicContact CB-CD1 4.07Å; L342-F348 HydrophobicContact CB-CE1 3.91Å; L342-F348 HydrophobicContact CD1-CE1 4.37Å; L342-F348 HydrophobicContact CD2-CD1 4.41Å; L342-F348 HydrophobicContact CD2-CE1 4.26Å; L342-F348 HydrophobicContact CG-CE1 4.41Å; L342-F348 WeakPolarHBondContact O-CD1 3.14Å; L342-F427 HydrophobicContact CB-CZ 4.06Å; L342-L466 HydrophobicContact CD1-CD1 4.2Å; L342-L466 HydrophobicContact CD2-CD1 4Å; L342-L466 HydrophobicContact CG-CD1 4.29Å; L342-L469 HydrophobicContact CD1-CD2 3.82Å; L342-L470 HydrophobicContact CD2-CD2 4.42Å; L342-F506 HydrophobicContact CD2-CZ 3.99Å
343	S	94.9	Very high	90.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-68.3	-23.3	177.2	79	0	0	0	0	113.7	L339 Q340 V341 R349 M430 W431	L339-S343 VanDerWaalsContact O-CB 3.31Å; L339-S343 WeakPolarHBondContact O-CB 3.2Å; L339-S343 PolarHBondContact O-N 3.2Å; L339-S343 PolarHBondContact O-OG 2.83Å; Q340-S343 PolarHBondContact O-N 2.72Å; Q340-S343 PolarHBondContact O-OG 2.84Å; V341-S343 PolarHBondContact O-N 3.07Å; S343-R349 WeakPolarHBondContact O-CB 3.2Å; S343-R349 VanDerWaalsContact O-CD 3.3Å; S343-R349 WeakPolarHBondContact O-CD 3.48Å; S343-R349 WeakPolarHBondContact O-CG 2.92Å; S343-M430 VanDerWaalsContact OG-CE 3.23Å; S343-M430 WeakPolarHBondContact OG-CE 3.39Å; S343-W431 WeakPolarHBondContact O-CZ2 3.42Å; S343-W431 PolarHBondContact O-NE1 2.8Å
344	H	94.5	Very high	88.8	Confident	7 Å²	7	21.7 Å²	21.7	3%	0.032	10%	0.1	C	C	.	.	H	α-helix	trans	-93.4	-13.5	179.6	-75.3	76.2	0	0	0	113.2	G322 Q340 V341 L342 H346 W431 C683	G322-H344 PolarHBondContact O-CE1 3.32Å; G322-H344 VanDerWaalsContact O-CE1 3.31Å; G322-H344 PolarHBondContact O-NE2 3.27Å; Q340-H344 PolarHBondContact O-N 2.82Å; Q340-H344 PolarHBondContact O-ND1 2.9Å; V341-H344 PolarHBondContact O-N 2.8Å; L342-H344 VanDerWaalsContact C-N 3.27Å; L342-H344 PolarHBondContact O-N 3.07Å; H344-H346 PolarHBondContact O-N 3.35Å; H344-H346 VanDerWaalsContact O-N 3.09Å; H344-W431 AromaticContact CD2-CZ2 3.9Å; H344-C683 HydrophobicContact CB-CB 3.82Å; H344-C683 VanDerWaalsContact CG-CB 3.47Å
345	L	91.1	Very high	87	Confident	5 Å²	5	21.9 Å²	21.9	3%	0.026	10%	0.101	C	C	.	.			trans	-70.8	103	170.6	-65.1	177.9	0	0	0	109.7	V341 L342 V347 F348 R349 F506 V607 F716	V341-L345 HydrophobicContact CG1-CG 4.49Å; V341-L345 WeakPolarHBondContact O-CG 3.41Å; V341-L345 PolarHBondContact O-N 3.38Å; V341-L345 VanDerWaalsContact O-N 3.15Å; L342-L345 HydrophobicContact CD2-CD1 4.19Å; L342-L345 PolarHBondContact O-N 2.71Å; L345-V347 PolarHBondContact O-N 3.23Å; L345-F348 HydrophobicContact CB-CB 3.98Å; L345-F348 PolarHBondContact O-N 3.24Å; L345-F348 VanDerWaalsContact O-N 3.07Å; L345-R349 WeakPolarHBondContact O-CB 3.27Å; L345-R349 PolarHBondContact O-N 2.89Å; L345-F506 HydrophobicContact CD1-CE1 3.65Å; L345-F506 HydrophobicContact CD1-CZ 3.63Å; L345-V607 HydrophobicContact CD1-CG1 4.13Å; L345-V607 HydrophobicContact CD2-CG1 4.06Å; L345-V607 HydrophobicContact CD2-CG2 4.39Å; L345-F716 HydrophobicContact CD1-CD1 4.26Å
346	H	85.3	Confident	84.9	Confident	80 Å²	80	25.9 Å²	25.9	37%	0.37	12%	0.122	S	C	.	.	H	α-helix	trans	-46.9	-55.6	-170.8	-179	-81.4	0	0	0	113.9	H344 F348 R349 E350 T686	H344-H346 PolarHBondContact O-N 3.35Å; H344-H346 VanDerWaalsContact O-N 3.09Å; H346-F348 VanDerWaalsContact C-N 3.32Å; H346-F348 PolarHBondContact O-N 3.21Å; H346-R349 PolarHBondContact CD2-NH2 3.29Å; H346-R349 PolarHBondContact O-N 2.69Å; H346-E350 IonicContact CE1-OE2 3.85Å; H346-E350 PolarHBondContact CE1-OE2 3.44Å; H346-E350 IonicContact ND1-OE2 2.62Å; H346-E350 WeakPolarHBondContact O-CB 3.43Å; H346-E350 PolarHBondContact O-N 2.8Å; H346-T686 HydrophobicContact CB-CG2 4.43Å
347	V	81.4	Confident	82.7	Confident	42 Å²	42	26.7 Å²	26.7	26%	0.255	13%	0.127	S	C	.	.	H	α-helix	trans	-64.5	-38.9	-175.9	-170	0	0	0	0	111.2	L345 C351 V501 I505	L345-V347 PolarHBondContact O-N 3.23Å; V347-C351 VanDerWaalsContact O-CB 3.23Å; V347-C351 WeakPolarHBondContact O-CB 3.36Å; V347-C351 PolarHBondContact O-N 3.26Å; V347-V501 HydrophobicContact CG1-CG1 4.05Å; V347-I505 HydrophobicContact CB-CD1 4.05Å; V347-I505 HydrophobicContact CB-CG1 4.3Å; V347-I505 HydrophobicContact CG1-CD1 3.78Å; V347-I505 HydrophobicContact CG1-CG1 3.96Å
348	F	84.9	Confident	80.1	Confident	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-50.8	177.7	-171.7	-98.1	0	0	0	111.1	L342 L345 H346 E350 C351 F352 F427 L470 V502 I505 F506	L342-F348 HydrophobicContact CB-CD1 4.07Å; L342-F348 HydrophobicContact CB-CE1 3.91Å; L342-F348 HydrophobicContact CD1-CE1 4.37Å; L342-F348 HydrophobicContact CD2-CD1 4.41Å; L342-F348 HydrophobicContact CD2-CE1 4.26Å; L342-F348 HydrophobicContact CG-CE1 4.41Å; L342-F348 WeakPolarHBondContact O-CD1 3.14Å; L345-F348 HydrophobicContact CB-CB 3.98Å; L345-F348 PolarHBondContact O-N 3.24Å; L345-F348 VanDerWaalsContact O-N 3.07Å; H346-F348 VanDerWaalsContact C-N 3.32Å; H346-F348 PolarHBondContact O-N 3.21Å; F348-E350 PolarHBondContact O-N 2.93Å; F348-C351 WeakPolarHBondContact O-CB 3.36Å; F348-C351 PolarHBondContact O-N 3.5Å; F348-F352 HydrophobicContact CD1-CD2 4.13Å; F348-F352 HydrophobicContact CD1-CE2 4.37Å; F348-F352 HydrophobicContact CD2-CD2 4.42Å; F348-F352 HydrophobicContact CD2-CE2 4.11Å; F348-F352 AromaticContact CE1-CD2 3.82Å; F348-F352 HydrophobicContact CE1-CD2 3.82Å; F348-F352 AromaticContact CE1-CE2 3.76Å; F348-F352 HydrophobicContact CE1-CE2 3.76Å; F348-F352 HydrophobicContact CE2-CD2 4.16Å; F348-F352 AromaticContact CE2-CE2 3.49Å; F348-F352 HydrophobicContact CE2-CE2 3.49Å; F348-F352 VanDerWaalsContact CE2-CE2 3.49Å; F348-F352 HydrophobicContact CE2-CZ 4.41Å; F348-F352 HydrophobicContact CG-CD2 4.43Å; F348-F352 AromaticContact CZ-CD2 3.85Å; F348-F352 HydrophobicContact CZ-CD2 3.85Å; F348-F352 AromaticContact CZ-CE2 3.28Å; F348-F352 HydrophobicContact CZ-CE2 3.28Å; F348-F352 HydrophobicContact CZ-CZ 4.02Å; F348-F352 WeakPolarHBondContact O-CD2 3.29Å; F348-F352 PolarHBondContact O-N 3.4Å; F348-F352 VanDerWaalsContact O-N 3.11Å; F348-F427 AromaticContact CD1-CE2 3.75Å; F348-F427 HydrophobicContact CD1-CE2 3.75Å; F348-F427 HydrophobicContact CD1-CZ 4.1Å; F348-F427 AromaticContact CE1-CE2 3.68Å; F348-F427 HydrophobicContact CE1-CE2 3.68Å; F348-F427 AromaticContact CE1-CZ 3.82Å; F348-F427 HydrophobicContact CE1-CZ 3.82Å; F348-L470 HydrophobicContact CE2-CD2 4.09Å; F348-L470 HydrophobicContact CZ-CD2 4.14Å; F348-V502 HydrophobicContact CE2-CG2 4.29Å; F348-I505 HydrophobicContact CB-CD1 4.16Å; F348-I505 HydrophobicContact CD2-CD1 4.33Å; F348-F506 AromaticContact CD2-CE2 3.57Å; F348-F506 HydrophobicContact CD2-CE2 3.57Å; F348-F506 HydrophobicContact CD2-CZ 4.08Å; F348-F506 AromaticContact CE2-CE2 3.88Å; F348-F506 HydrophobicContact CE2-CE2 3.88Å; F348-F506 HydrophobicContact CG-CE2 4.34Å; F348-F506 HydrophobicContact CG-CZ 4.42Å
349	R	87.7	Confident	77.5	Confident	9 Å²	9	35.7 Å²	35.7	3%	0.034	17%	0.174	C	C	.	.	H	α-helix	trans	-54	-52.1	175.7	177.9	-165.1	63.6	-156.3	3.1	111.5	S343 L345 H346 C351 F352 L353 W431 T686	S343-R349 WeakPolarHBondContact O-CB 3.2Å; S343-R349 VanDerWaalsContact O-CD 3.3Å; S343-R349 WeakPolarHBondContact O-CD 3.48Å; S343-R349 WeakPolarHBondContact O-CG 2.92Å; L345-R349 WeakPolarHBondContact O-CB 3.27Å; L345-R349 PolarHBondContact O-N 2.89Å; H346-R349 PolarHBondContact CD2-NH2 3.29Å; H346-R349 PolarHBondContact O-N 2.69Å; R349-C351 VanDerWaalsContact C-N 3.28Å; R349-C351 PolarHBondContact O-N 2.9Å; R349-F352 CarbonylContact O-C 3.6Å; R349-F352 PolarHBondContact O-N 3.39Å; R349-F352 VanDerWaalsContact O-N 3.11Å; R349-L353 HydrophobicContact CG-CD1 3.75Å; R349-L353 HydrophobicContact CG-CG 4.17Å; R349-L353 WeakPolarHBondContact O-CG 3.35Å; R349-L353 PolarHBondContact O-N 3.49Å; R349-W431 VanDerWaalsContact CD-CD2 3.49Å; R349-T686 PolarHBondContact NH1-OG1 3.33Å
350	E	79.6	Confident	74.7	Confident	53 Å²	53	36.3 Å²	36.3	25%	0.248	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-36.5	-176.7	-171.3	178.9	-155.4	0	0	111.7	H346 F348 L353 R354	H346-E350 IonicContact CE1-OE2 3.85Å; H346-E350 PolarHBondContact CE1-OE2 3.44Å; H346-E350 IonicContact ND1-OE2 2.62Å; H346-E350 WeakPolarHBondContact O-CB 3.43Å; H346-E350 PolarHBondContact O-N 2.8Å; F348-E350 PolarHBondContact O-N 2.93Å; E350-L353 PolarHBondContact O-N 3.04Å; E350-R354 VanDerWaalsContact CD-CZ 3.5Å; E350-R354 VanDerWaalsContact CG-NH1 3.32Å; E350-R354 WeakPolarHBondContact O-CB 3.43Å; E350-R354 WeakPolarHBondContact O-CG 3.45Å; E350-R354 PolarHBondContact O-N 3.41Å; E350-R354 IonicContact OE1-CZ 3.68Å; E350-R354 IonicContact OE1-NH1 3.61Å; E350-R354 PolarHBondContact OE1-NH1 2.77Å; E350-R354 IonicContact OE1-NH2 3.99Å; E350-R354 PolarHBondContact OE1-NH2 3.41Å; E350-R354 IonicContact OE2-NH1 2.72Å
351	C	75.9	Confident	72.3	Confident	15 Å²	15	37.7 Å²	37.7	10%	0.101	19%	0.186	C	C	.	.	H	α-helix	trans	-58	-47.9	171.9	-172.8	0	0	0	0	111.3	V347 F348 R349 L355 V501	V347-C351 VanDerWaalsContact O-CB 3.23Å; V347-C351 WeakPolarHBondContact O-CB 3.36Å; V347-C351 PolarHBondContact O-N 3.26Å; F348-C351 WeakPolarHBondContact O-CB 3.36Å; F348-C351 PolarHBondContact O-N 3.5Å; R349-C351 VanDerWaalsContact C-N 3.28Å; R349-C351 PolarHBondContact O-N 2.9Å; C351-L355 WeakPolarHBondContact O-CB 3.42Å; C351-L355 WeakPolarHBondContact O-CD1 3.21Å; C351-L355 VanDerWaalsContact O-CG 3.27Å; C351-L355 WeakPolarHBondContact O-CG 3.44Å; C351-L355 PolarHBondContact O-N 2.92Å; C351-V501 HydrophobicContact CB-CG1 4.05Å
352	F	75.9	Confident	69.6	Low	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-72.7	-30.3	177.4	-82.4	-89.8	0	0	0	114	F348 R349 L355 C420 L423 H424 F427 V473 V502	F348-F352 HydrophobicContact CD1-CD2 4.13Å; F348-F352 HydrophobicContact CD1-CE2 4.37Å; F348-F352 HydrophobicContact CD2-CD2 4.42Å; F348-F352 HydrophobicContact CD2-CE2 4.11Å; F348-F352 AromaticContact CE1-CD2 3.82Å; F348-F352 HydrophobicContact CE1-CD2 3.82Å; F348-F352 AromaticContact CE1-CE2 3.76Å; F348-F352 HydrophobicContact CE1-CE2 3.76Å; F348-F352 HydrophobicContact CE2-CD2 4.16Å; F348-F352 AromaticContact CE2-CE2 3.49Å; F348-F352 HydrophobicContact CE2-CE2 3.49Å; F348-F352 VanDerWaalsContact CE2-CE2 3.49Å; F348-F352 HydrophobicContact CE2-CZ 4.41Å; F348-F352 HydrophobicContact CG-CD2 4.43Å; F348-F352 AromaticContact CZ-CD2 3.85Å; F348-F352 HydrophobicContact CZ-CD2 3.85Å; F348-F352 AromaticContact CZ-CE2 3.28Å; F348-F352 HydrophobicContact CZ-CE2 3.28Å; F348-F352 HydrophobicContact CZ-CZ 4.02Å; F348-F352 WeakPolarHBondContact O-CD2 3.29Å; F348-F352 PolarHBondContact O-N 3.4Å; F348-F352 VanDerWaalsContact O-N 3.11Å; R349-F352 CarbonylContact O-C 3.6Å; R349-F352 PolarHBondContact O-N 3.39Å; R349-F352 VanDerWaalsContact O-N 3.11Å; F352-L355 HydrophobicContact CB-CD1 4.38Å; F352-L355 HydrophobicContact CD1-CD1 3.7Å; F352-L355 HydrophobicContact CD2-CD1 4.39Å; F352-L355 HydrophobicContact CE1-CD1 3.95Å; F352-L355 HydrophobicContact CG-CD1 3.93Å; F352-L355 HydrophobicContact CZ-CD1 4.4Å; F352-L355 WeakPolarHBondContact O-CB 3.4Å; F352-C420 HydrophobicContact CE1-CB 4.22Å; F352-L423 HydrophobicContact CD1-CB 3.91Å; F352-L423 HydrophobicContact CE1-CB 3.95Å; F352-L423 HydrophobicContact CE1-CD1 4.06Å; F352-L423 HydrophobicContact CZ-CD1 4.1Å; F352-H424 PolarHBondContact O-ND1 3.41Å; F352-F427 HydrophobicContact CB-CD2 3.72Å; F352-F427 HydrophobicContact CB-CE2 4.1Å; F352-F427 HydrophobicContact CD2-CE2 4.4Å; F352-F427 HydrophobicContact CG-CD2 4.35Å; F352-F427 HydrophobicContact CG-CE2 4.29Å; F352-V473 HydrophobicContact CZ-CG1 3.82Å; F352-V502 HydrophobicContact CE2-CG2 4.5Å
353	L	73.3	Confident	67	Low	59 Å²	59	47.9 Å²	47.9	31%	0.309	24%	0.236	S	C	.	.	H	α-helix	trans	-75	-30.3	175.8	-69.6	178.2	0	0	0	112.8	R349 E350 F427 Q428	R349-L353 HydrophobicContact CG-CD1 3.75Å; R349-L353 HydrophobicContact CG-CG 4.17Å; R349-L353 WeakPolarHBondContact O-CG 3.35Å; R349-L353 PolarHBondContact O-N 3.49Å; E350-L353 PolarHBondContact O-N 3.04Å; L353-F427 HydrophobicContact CD2-CB 4.11Å; L353-Q428 HydrophobicContact CD2-CB 4.35Å; L353-Q428 HydrophobicContact CD2-CG 3.71Å
354	R	64.5	Low	64.3	Low	169 Å²	169	51.9 Å²	51.9	64%	0.638	26%	0.257	S	S	*	.	H	α-helix	trans	-85.3	-15.3	175.3	-71.8	-172.4	174.1	129.3	9	114.1	E350 D356	E350-R354 VanDerWaalsContact CD-CZ 3.5Å; E350-R354 VanDerWaalsContact CG-NH1 3.32Å; E350-R354 WeakPolarHBondContact O-CB 3.43Å; E350-R354 WeakPolarHBondContact O-CG 3.45Å; E350-R354 PolarHBondContact O-N 3.41Å; E350-R354 IonicContact OE1-CZ 3.68Å; E350-R354 IonicContact OE1-NH1 3.61Å; E350-R354 PolarHBondContact OE1-NH1 2.77Å; E350-R354 IonicContact OE1-NH2 3.99Å; E350-R354 PolarHBondContact OE1-NH2 3.41Å; E350-R354 IonicContact OE2-NH1 2.72Å; R354-D356 PolarHBondContact O-N 3.26Å
355	L	59	Low	61.6	Low	8 Å²	8	54.2 Å²	54.2	4%	0.042	28%	0.277	C	S	.	.			trans	-63.6	96.9	171.1	-97	161.7	0	0	0	109	C351 F352 L357 H424 V498	C351-L355 WeakPolarHBondContact O-CB 3.42Å; C351-L355 WeakPolarHBondContact O-CD1 3.21Å; C351-L355 VanDerWaalsContact O-CG 3.27Å; C351-L355 WeakPolarHBondContact O-CG 3.44Å; C351-L355 PolarHBondContact O-N 2.92Å; F352-L355 HydrophobicContact CB-CD1 4.38Å; F352-L355 HydrophobicContact CD1-CD1 3.7Å; F352-L355 HydrophobicContact CD2-CD1 4.39Å; F352-L355 HydrophobicContact CE1-CD1 3.95Å; F352-L355 HydrophobicContact CG-CD1 3.93Å; F352-L355 HydrophobicContact CZ-CD1 4.4Å; F352-L355 WeakPolarHBondContact O-CB 3.4Å; L355-L357 VanDerWaalsContact C-N 3.26Å; L355-L357 HydrophobicContact CB-CD1 3.76Å; L355-L357 HydrophobicContact CD1-CD1 4.44Å; L355-L357 HydrophobicContact CD2-CD1 3.75Å; L355-L357 HydrophobicContact CG-CD1 4.2Å; L355-L357 PolarHBondContact O-N 2.91Å; L355-H424 PolarHBondContact O-CE1 3.09Å; L355-H424 PolarHBondContact O-ND1 3.15Å; L355-H424 VanDerWaalsContact O-ND1 3.13Å; L355-V498 HydrophobicContact CD1-CB 4.45Å; L355-V498 HydrophobicContact CD1-CG1 3.6Å; L355-V498 HydrophobicContact CD1-CG2 4.03Å; L355-V498 HydrophobicContact CD2-CB 4.21Å; L355-V498 HydrophobicContact CD2-CG1 4.03Å; L355-V498 HydrophobicContact CD2-CG2 3.56Å; L355-V498 HydrophobicContact CG-CB 4.42Å; L355-V498 HydrophobicContact CG-CG1 4.07Å; L355-V498 HydrophobicContact CG-CG2 3.56Å
356	D	51.6	Low	59.3	Low	83 Å²	83	56.5 Å²	56.5	44%	0.444	29%	0.294	S	S	.	.			trans	-76.9	79.4	172.1	-164.3	-5.9	0	0	0	109.8	R354 T358	R354-D356 PolarHBondContact O-N 3.26Å; D356-T358 VanDerWaalsContact C-N 3.25Å; D356-T358 WeakPolarHBondContact OD1-CB 3.35Å; D356-T358 PolarHBondContact OD1-N 3.24Å; D356-T358 PolarHBondContact OD1-OG1 3.25Å
357	L	51.3	Low	56.9	Low	19 Å²	19	55 Å²	55	10%	0.099	30%	0.295	C	S	.	.	H	α-helix	trans	-73	-18.3	176.8	-101.2	90.9	0	0	0	113	L355 Q359 A360 L361 C420 H421	L355-L357 VanDerWaalsContact C-N 3.26Å; L355-L357 HydrophobicContact CB-CD1 3.76Å; L355-L357 HydrophobicContact CD1-CD1 4.44Å; L355-L357 HydrophobicContact CD2-CD1 3.75Å; L355-L357 HydrophobicContact CG-CD1 4.2Å; L355-L357 PolarHBondContact O-N 2.91Å; L357-Q359 PolarHBondContact O-N 2.95Å; L357-A360 WeakPolarHBondContact O-CB 3.33Å; L357-A360 PolarHBondContact O-N 3.39Å; L357-L361 HydrophobicContact CD2-CD1 4.48Å; L357-L361 WeakPolarHBondContact O-CB 3.25Å; L357-L361 WeakPolarHBondContact O-CG 3.21Å; L357-L361 PolarHBondContact O-N 3.03Å; L357-C420 HydrophobicContact CD2-CB 4.25Å; L357-H421 HydrophobicContact CD2-CB 3.69Å
358	T	44.3	Very low	54.8	Low	76 Å²	76	57.8 Å²	57.8	47%	0.466	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-47.2	-178.9	-4.9	0	0	0	0	110.7	D356 A360 E362	D356-T358 VanDerWaalsContact C-N 3.25Å; D356-T358 WeakPolarHBondContact OD1-CB 3.35Å; D356-T358 PolarHBondContact OD1-N 3.24Å; D356-T358 PolarHBondContact OD1-OG1 3.25Å; T358-A360 VanDerWaalsContact C-N 3.33Å; T358-A360 PolarHBondContact O-N 3.36Å; T358-E362 WeakPolarHBondContact O-CB 3.29Å; T358-E362 WeakPolarHBondContact O-CG 3.37Å; T358-E362 PolarHBondContact O-N 2.88Å
359	Q	43.8	Very low	52.6	Low	118 Å²	118	64.3 Å²	64.3	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-69	-32.8	177.6	-155.4	171.2	81.6	0	0	112.1	L357 L363	L357-Q359 PolarHBondContact O-N 2.95Å; Q359-L363 HydrophobicContact CG-CD1 4.42Å; Q359-L363 WeakPolarHBondContact O-CB 3.49Å; Q359-L363 WeakPolarHBondContact O-CD1 3.3Å; Q359-L363 WeakPolarHBondContact O-CG 3.38Å; Q359-L363 PolarHBondContact O-N 3.41Å; Q359-L363 VanDerWaalsContact O-N 3.1Å
360	A	39.5	Very low	50	Low	13 Å²	13	69.6 Å²	69.6	11%	0.107	37%	0.371	C	S	.	.	H	α-helix	trans	-69.5	-41.4	178.8	0	0	0	0	0	113.4	L357 T358 L364	L357-A360 WeakPolarHBondContact O-CB 3.33Å; L357-A360 PolarHBondContact O-N 3.39Å; T358-A360 VanDerWaalsContact C-N 3.33Å; T358-A360 PolarHBondContact O-N 3.36Å; A360-L364 WeakPolarHBondContact O-CD1 3.35Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.42Å; A360-L364 PolarHBondContact O-N 2.79Å; A360-L364 VanDerWaalsContact O-N 3.1Å
361	L	45.5	Very low	47.8	Very low	33 Å²	33	75.4 Å²	75.4	17%	0.173	40%	0.398	C	S	.	.	H	α-helix	trans	-76.8	-35	179.4	-71.5	168.8	0	0	0	111.9	L357 L364 A365 H421	L357-L361 HydrophobicContact CD2-CD1 4.48Å; L357-L361 WeakPolarHBondContact O-CB 3.25Å; L357-L361 WeakPolarHBondContact O-CG 3.21Å; L357-L361 PolarHBondContact O-N 3.03Å; L361-L364 PolarHBondContact O-N 3.43Å; L361-A365 VanDerWaalsContact O-CB 3.29Å; L361-A365 WeakPolarHBondContact O-CB 3.49Å; L361-A365 PolarHBondContact O-N 3.01Å; L361-H421 HydrophobicContact CD1-CB 4.22Å; L361-H421 VanDerWaalsContact CD1-ND1 3.27Å; L361-H421 WeakPolarHBondContact CD1-ND1 3.46Å
362	E	42.8	Very low	45.9	Very low	134 Å²	134	81.9 Å²	81.9	63%	0.626	43%	0.431	S	S	*	.	H	α-helix	trans	-64.2	-40.8	172.1	-78	176.9	174.6	0	0	111.9	T358 A365 S366	T358-E362 WeakPolarHBondContact O-CB 3.29Å; T358-E362 WeakPolarHBondContact O-CG 3.37Å; T358-E362 PolarHBondContact O-N 2.88Å; E362-A365 PolarHBondContact O-N 3.44Å; E362-S366 WeakPolarHBondContact O-CB 3.49Å; E362-S366 PolarHBondContact O-N 3.4Å; E362-S366 PolarHBondContact O-OG 3.49Å
363	L	39.6	Very low	43.8	Very low	81 Å²	81	87.1 Å²	87.1	42%	0.424	46%	0.463	S	S	.	.	H	α-helix	trans	-69.9	-31.4	175.6	-72.4	171.1	0	0	0	113.3	Q359 S366 A367	Q359-L363 HydrophobicContact CG-CD1 4.42Å; Q359-L363 WeakPolarHBondContact O-CB 3.49Å; Q359-L363 WeakPolarHBondContact O-CD1 3.3Å; Q359-L363 WeakPolarHBondContact O-CG 3.38Å; Q359-L363 PolarHBondContact O-N 3.41Å; Q359-L363 VanDerWaalsContact O-N 3.1Å; L363-S366 WeakPolarHBondContact CA-OG 3.41Å; L363-S366 PolarHBondContact O-OG 3.32Å; L363-S366 VanDerWaalsContact O-OG 3.04Å; L363-A367 WeakPolarHBondContact O-CB 3.46Å; L363-A367 PolarHBondContact O-N 2.99Å
364	L	38.4	Very low	41.6	Very low	85 Å²	85	90.4 Å²	90.4	45%	0.445	49%	0.485	S	S	.	.	H	α-helix	trans	-72.7	-37.4	171.4	-77	165.2	0	0	0	111.6	A360 L361 V368	A360-L364 WeakPolarHBondContact O-CD1 3.35Å; A360-L364 VanDerWaalsContact O-CG 3.31Å; A360-L364 WeakPolarHBondContact O-CG 3.42Å; A360-L364 PolarHBondContact O-N 2.79Å; A360-L364 VanDerWaalsContact O-N 3.1Å; L361-L364 PolarHBondContact O-N 3.43Å; L364-V368 WeakPolarHBondContact O-CG2 3.31Å; L364-V368 PolarHBondContact O-N 3.13Å
365	A	39.4	Very low	39.8	Very low	56 Å²	56	91.5 Å²	91.5	46%	0.463	50%	0.495	S	S	.	.	H	α-helix	trans	-68.6	-34.8	176.1	0	0	0	0	0	112.5	L361 E362 H369	L361-A365 VanDerWaalsContact O-CB 3.29Å; L361-A365 WeakPolarHBondContact O-CB 3.49Å; L361-A365 PolarHBondContact O-N 3.01Å; E362-A365 PolarHBondContact O-N 3.44Å; A365-H369 PolarHBondContact O-N 3.34Å; A365-H369 PolarHBondContact O-ND1 3.31Å
366	S	40.8	Very low	38.1	Very low	53 Å²	53	97.9 Å²	97.9	37%	0.371	53%	0.534	S	S	.	.	H	α-helix	trans	-75.5	-40.4	174.5	61.7	0	0	0	0	112.5	E362 L363 V368 H369 D370	E362-S366 WeakPolarHBondContact O-CB 3.49Å; E362-S366 PolarHBondContact O-N 3.4Å; E362-S366 PolarHBondContact O-OG 3.49Å; L363-S366 WeakPolarHBondContact CA-OG 3.41Å; L363-S366 PolarHBondContact O-OG 3.32Å; L363-S366 VanDerWaalsContact O-OG 3.04Å; S366-V368 PolarHBondContact O-N 2.74Å; S366-H369 PolarHBondContact O-N 2.81Å; S366-D370 PolarHBondContact O-N 2.85Å
367	A	36.4	Very low	36.7	Very low	48 Å²	48	99.8 Å²	99.8	40%	0.397	55%	0.549	S	S	.	.	H	α-helix	trans	-61.9	-26.2	174.6	0	0	0	0	0	113.4	L363	L363-A367 WeakPolarHBondContact O-CB 3.46Å; L363-A367 PolarHBondContact O-N 2.99Å
368	V	36.9	Very low	35.4	Very low	101 Å²	101	105.8 Å²	105.8	61%	0.612	59%	0.587	S	S	*	*	H	α-helix	trans	-83.5	-27.2	174.1	174.2	0	0	0	0	112.1	L364 S366	L364-V368 WeakPolarHBondContact O-CG2 3.31Å; L364-V368 PolarHBondContact O-N 3.13Å; S366-V368 PolarHBondContact O-N 2.74Å
369	H	38.5	Very low	34.5	Very low	138 Å²	138	109.4 Å²	109.4	64%	0.639	60%	0.598	S	S	*	*	H	α-helix	trans	-76.5	-34.3	173.2	-96.2	76.8	0	0	0	112.8	A365 S366 Q371 L372	A365-H369 PolarHBondContact O-N 3.34Å; A365-H369 PolarHBondContact O-ND1 3.31Å; S366-H369 PolarHBondContact O-N 2.81Å; H369-Q371 PolarHBondContact O-N 3.21Å; H369-L372 PolarHBondContact O-N 3.3Å
370	D	33.9	Very low	33.5	Very low	119 Å²	119	112 Å²	112	64%	0.636	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-11.5	-179.1	-91	-11.5	0	0	0	114.4	S366	S366-D370 PolarHBondContact O-N 2.85Å
371	Q	33.5	Very low	33.1	Very low	175 Å²	175	116.6 Å²	116.6	82%	0.818	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-1.9	174.7	-69.7	-163.9	2.6	0	0	114.4	H369	H369-Q371 PolarHBondContact O-N 3.21Å
372	L	34.3	Very low	32.1	Very low	152 Å²	152	123 Å²	123	80%	0.796	67%	0.671	S	S	*	*	S	Bend	trans	-114.7	1.2	-178.5	-89.5	154.9	0	0	0	114.9	H369	H369-L372 PolarHBondContact O-N 3.3Å
373	T	32.1	Very low	31.1	Very low	110 Å²	110	121.6 Å²	121.6	68%	0.675	68%	0.675	S	S	*	*			trans	-132.8	80	177.5	53.6	0	0	0	0	112
374	V	27.2	Very low	30.4	Very low	127 Å²	127	126.3 Å²	126.3	77%	0.77	70%	0.695	S	S	*	*			trans	-122.1	98.1	159.4	179.8	0	0	0	0	108.5
375	K	26.4	Very low	29.8	Very low	192 Å²	192	133.6 Å²	133.6	84%	0.835	72%	0.717	S	S	*	*			trans	152.4	106.7	141.9	-84	170.2	-173.2	-175	0	109.5
376	T	23.2	Very low	29	Very low	142 Å²	142	140.8 Å²	140.8	87%	0.871	74%	0.738	S	S	*	*				-177	129.3	106.2	-57.2	0	0	0	0	108.8
377	T	23	Very low	28.3	Very low	123 Å²	123	141.6 Å²	141.6	76%	0.755	75%	0.754	S	S	*	*			trans	-81.2	132.8	-176.5	-56.1	0	0	0	0	111.8
378	T	24.5	Very low	27.7	Very low	145 Å²	145	147.8 Å²	147.8	89%	0.89	78%	0.78	S	S	*	*			trans	-165.5	162.2	135.9	-1.5	0	0	0	0	111.5
379	Q	24.4	Very low	27.2	Very low	152 Å²	152	151.4 Å²	151.4	71%	0.71	79%	0.79	S	S	*	*			trans	-106.5	152.9	-141.7	-93.1	178.5	-9.1	0	0	116.8
380	F	22.5	Very low	26.5	Very low	174 Å²	174	150.5 Å²	150.5	76%	0.763	80%	0.799	S	S	*	*			trans	66.1	161.5	146.7	-68.2	-57.2	0	0	0	122
381	P	31.1	Very low	26	Very low	109 Å²	109	150.6 Å²	150.6	71%	0.708	80%	0.804	S	S	*	*			cis	-135.3	-178.7	-38.9	36.8	-17.9	0	0	0	115.1
382	L	24.6	Very low	25.7	Very low	168 Å²	168	148 Å²	148	88%	0.88	81%	0.805	S	S	*	*			trans	-25.9	141.7	175.8	-75.5	78.4	0	0	0	119.7
383	S	23	Very low	25.2	Very low	104 Å²	104	144 Å²	144	73%	0.727	80%	0.801	S	S	*	*				-171.5	136	121.3	-140.7	0	0	0	0	116.1
384	Q	23.6	Very low	25	Very low	180 Å²	180	147.6 Å²	147.6	84%	0.841	82%	0.815	S	S	*	*			trans	42.8	130.7	141.8	-68.1	-179.3	0.3	0	0	125.5
385	R	27.2	Very low	25	Very low	237 Å²	237	147.8 Å²	147.8	89%	0.894	82%	0.822	S	S	*	*			trans	-3	131.5	142.8	-69.8	176.3	170.9	178.1	-3	118.3
386	K	22.9	Very low	24.9	Very low	208 Å²	208	142.4 Å²	142.4	90%	0.904	82%	0.821	S	S	*	*				170.4	147.7	112.6	-96	173.7	179.8	177.1	0	110.6
387	G	24.6	Very low	25.1	Very low	70 Å²	70	139.8 Å²	139.8	72%	0.722	82%	0.822	S	S	*	*			trans	-72.8	165.3	177.7	0	0	0	0	0	113.7
388	L	24.9	Very low	25.2	Very low	177 Å²	177	138.2 Å²	138.2	93%	0.927	82%	0.822	S	S	*	*			trans	-155.5	131.2	155.1	-152.1	64.9	0	0	0	111
389	Q	25.5	Very low	25.6	Very low	178 Å²	178	137.6 Å²	137.6	83%	0.832	82%	0.823	S	S	*	*			trans	-63.8	149	162.6	-66.3	168.4	-2.8	0	0	109.7
390	S	23.9	Very low	26	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	83%	0.83	S	S	*	*			trans	-141	114.8	153	-176.4	0	0	0	0	109.9
391	T	24.6	Very low	26.5	Very low	120 Å²	120	138.4 Å²	138.4	74%	0.736	83%	0.833	S	S	*	*			trans	-96.5	134.4	170.7	48.5	0	0	0	0	109.6
392	S	26.8	Very low	27.1	Very low	121 Å²	121	142.4 Å²	142.4	85%	0.846	83%	0.834	S	S	*	*			trans	161.6	124.8	142.9	45.3	0	0	0	0	107.1
393	G	23.5	Very low	27.9	Very low	69 Å²	69	138.3 Å²	138.3	71%	0.711	82%	0.819	S	S	*	*			cis	118.5	97.4	19.3	0	0	0	0	0	107.9
394	L	27.1	Very low	29.4	Very low	184 Å²	184	136.5 Å²	136.5	96%	0.963	80%	0.8	S	S	*	*			trans	-142.9	122.4	157.3	-77.5	-178.8	0	0	0	110.3
395	S	27.4	Very low	30.8	Very low	132 Å²	132	130.4 Å²	130.4	92%	0.923	77%	0.772	S	S	*	*			trans	-74.1	157.1	-179.7	-69.9	0	0	0	0	113.3
396	G	24.5	Very low	32.4	Very low	79 Å²	79	121.3 Å²	121.3	81%	0.814	74%	0.741	S	S	*	*			trans	166.3	84.9	164.4	0	0	0	0	0	112
397	G	27.8	Very low	34.1	Very low	86 Å²	86	116.6 Å²	116.6	89%	0.887	72%	0.724	S	S	*	*			trans	-68.4	141.9	-176.3	0	0	0	0	0	114.2
398	A	25.3	Very low	35.2	Very low	91 Å²	91	113.7 Å²	113.7	75%	0.752	69%	0.692	S	S	*	*			trans	-156	131.6	148.1	0	0	0	0	0	108.4	R400	A398-R400 PolarHBondContact O-N 2.83Å
399	S	32.3	Very low	36.1	Very low	131 Å²	131	109.4 Å²	109.4	92%	0.916	68%	0.675	S	S	*	*			trans	-48	100.7	-177.1	-162.9	0	0	0	0	112.6	S401	S399-S401 PolarHBondContact O-N 3.22Å
400	R	32.2	Very low	36.7	Very low	227 Å²	227	105.5 Å²	105.5	86%	0.857	66%	0.655	S	S	*	*			trans	-78.8	109.7	169.1	-68.3	-177.9	80.5	175.7	4.4	107.8	A398 R402	A398-R400 PolarHBondContact O-N 2.83Å; R400-R402 PolarHBondContact O-N 2.89Å
401	S	34.8	Very low	37.5	Very low	117 Å²	117	107.1 Å²	107.1	82%	0.818	65%	0.649	S	S	*	*			trans	-45	117	157.2	-178.6	0	0	0	0	108.2	S399 S403	S399-S401 PolarHBondContact O-N 3.22Å; S401-S403 PolarHBondContact O-N 3.46Å
402	R	42.1	Very low	38.4	Very low	192 Å²	192	102.5 Å²	102.5	73%	0.725	62%	0.621	S	S	*	*			trans	-76.6	90.9	-171	-67	173.7	177.4	179.2	-4.3	108.8	R400 M404	R400-R402 PolarHBondContact O-N 2.89Å; R402-M404 PolarHBondContact O-N 3.16Å
403	S	42.8	Very low	39.2	Very low	83 Å²	83	102.1 Å²	102.1	58%	0.58	62%	0.619	S	S	*	*			trans	-72.4	116.6	175.5	-164.6	0	0	0	0	110	S401 E405	S401-S403 PolarHBondContact O-N 3.46Å; S403-E405 PolarHBondContact O-N 3.46Å
404	M	54.1	Low	40.5	Very low	66 Å²	66	100.7 Å²	100.7	33%	0.325	60%	0.597	S	S	.	*			trans	-80.9	23.8	174.5	-65.3	-73.4	-77.9	0	0	112.1	P317 V319 R402 A436	P317-M404 WeakPolarHBondContact O-CE 3.46Å; V319-M404 HydrophobicContact CG2-CE 3.54Å; R402-M404 PolarHBondContact O-N 3.16Å; M404-A436 HydrophobicContact CB-CB 4.2Å; M404-A436 PolarHBondContact O-N 2.9Å
405	E	51.7	Low	41.6	Very low	52 Å²	52	102.4 Å²	102.4	24%	0.243	60%	0.597	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.1	131	-175.9	-178.1	174.5	-169.2	0	0	110.5	R327 S403 W435 L437	R327-E405 IonicContact CZ-OE1 3.83Å; R327-E405 VanDerWaalsContact CZ-OE1 3.22Å; R327-E405 IonicContact NE-OE1 2.7Å; R327-E405 PolarHBondContact NE-OE1 2.78Å; R327-E405 VanDerWaalsContact NH2-CD 3.33Å; R327-E405 IonicContact NH2-OE1 3.91Å; R327-E405 PolarHBondContact NH2-OE1 3.29Å; R327-E405 IonicContact NH2-OE2 3.49Å; R327-E405 PolarHBondContact NH2-OE2 3.41Å; S403-E405 PolarHBondContact O-N 3.46Å; E405-W435 WeakPolarHBondContact O-CZ3 3.33Å; E405-L437 WeakPolarHBondContact CA-O 3.35Å; E405-L437 HydrophobicContact CB-CB 4.48Å; E405-L437 HydrophobicContact CG-CB 4.25Å; E405-L437 HydrophobicContact CG-CD2 4.07Å; E405-L437 HydrophobicContact CG-CG 4.1Å
406	L	61.4	Low	43.2	Very low	46 Å²	46	101.6 Å²	101.6	24%	0.241	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	125	170.7	-173.5	69.4	0	0	0	110.2	V429 W435 L437 V438 S439	L406-V429 HydrophobicContact CD2-CB 4.41Å; L406-V429 HydrophobicContact CD2-CG1 3.58Å; L406-V429 HydrophobicContact CD2-CG2 3.82Å; L406-W435 HydrophobicContact CB-CD2 3.67Å; L406-W435 HydrophobicContact CB-CE3 3.71Å; L406-W435 HydrophobicContact CB-CG 4.12Å; L406-W435 HydrophobicContact CB-CH2 4.33Å; L406-W435 HydrophobicContact CB-CZ2 4.31Å; L406-W435 HydrophobicContact CB-CZ3 4.04Å; L406-W435 HydrophobicContact CD1-CH2 3.89Å; L406-W435 HydrophobicContact CD1-CZ2 3.79Å; L406-W435 HydrophobicContact CD1-CZ3 4.38Å; L406-W435 HydrophobicContact CG-CZ2 4.43Å; L406-L437 PolarHBondContact N-O 3.21Å; L406-V438 HydrophobicContact CB-CG2 4.36Å; L406-V438 CarbonylContact O-C 3.54Å; L406-V438 VanDerWaalsContact O-CA 3.27Å; L406-V438 WeakPolarHBondContact O-CA 3.42Å; L406-S439 PolarHBondContact O-N 3.42Å
407	I	58.4	Low	45.5	Very low	108 Å²	108	100.3 Å²	100.3	55%	0.554	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.2	111	167.6	-61.2	171.7	0	0	0	106.4	F441	I407-F441 HydrophobicContact CG2-CD2 3.88Å; I407-F441 HydrophobicContact CG2-CE2 3.84Å
408	Q	48.2	Very low	48.1	Very low	10 Å²	10	96.3 Å²	96.3	5%	0.047	51%	0.511	C	S	.	.			trans	-62.9	140.6	171	-73.4	-177.4	-31.2	0	0	109	V438 S439 A442	Q408-V438 HydrophobicContact CG-CG1 4.39Å; Q408-S439 WeakPolarHBondContact CB-O 3.36Å; Q408-S439 PolarHBondContact N-O 2.88Å; Q408-A442 HydrophobicContact CB-CB 4.42Å
409	P	43.7	Very low	51	Low	87 Å²	87	92 Å²	92	57%	0.565	48%	0.476	S	S	*	.			trans	-56.6	148.6	177	21.9	-30.2	0	0	0	111.1	E411	P409-E411 PolarHBondContact O-N 3.3Å
410	K	38.1	Very low	53.4	Low	96 Å²	96	86 Å²	86	42%	0.417	43%	0.433	S	S	.	.	S	Bend	trans	-69.1	-19.1	178.8	-95	-172.8	173.7	-168.8	0	113.4	F441	K410-F441 HydrophobicContact CG-CB 4.42Å; K410-F441 HydrophobicContact CG-CD1 4.19Å; K410-F441 HydrophobicContact CG-CG 4.31Å
411	E	40.5	Very low	55.7	Low	153 Å²	153	76.4 Å²	76.4	72%	0.715	40%	0.398	S	S	*	.	S	Bend	trans	-108.5	132.8	178.2	-65	-93.4	146.7	0	0	107.7	P409	P409-E411 PolarHBondContact O-N 3.3Å
412	P	44.5	Very low	58.1	Low	23 Å²	23	71.2 Å²	71.2	15%	0.149	36%	0.361	C	S	.	.			trans	-59.7	141.2	170.3	24.6	-30.1	0	0	0	109.1	S414 I417	P412-S414 PolarHBondContact O-N 3.31Å; P412-I417 HydrophobicContact CG-CG1 4.48Å
413	S	43.6	Very low	60.3	Low	113 Å²	113	62.1 Å²	62.1	79%	0.79	33%	0.327	S	S	*	.	S	Bend	trans	-67.2	-4.2	-178.7	48.9	0	0	0	0	113.8
414	S	50.6	Low	62.3	Low	38 Å²	38	58.6 Å²	58.6	27%	0.266	30%	0.301	S	S	.	.	S	Bend	trans	-126.4	155.7	-178.7	78.9	0	0	0	0	111.7	P412 H416	P412-S414 PolarHBondContact O-N 3.31Å; S414-H416 PolarHBondContact O-N 2.91Å; S414-H416 PolarHBondContact OG-N 2.87Å; S414-H416 PolarHBondContact OG-O 2.79Å
415	K	49.3	Very low	63.7	Low	220 Å²	220	57.2 Å²	57.2	96%	0.957	30%	0.297	S	S	*	.	S	Bend	trans	-70.2	-6.7	174.8	-66.1	-179.5	-179	176.4	0	113.4
416	H	61.2	Low	65.4	Low	115 Å²	115	54.8 Å²	54.8	53%	0.532	29%	0.285	S	S	.	.	S	Bend	trans	-118.9	112.7	-174.9	-172.9	-79.1	0	0	0	110.6	S414 S418	S414-H416 PolarHBondContact O-N 2.91Å; S414-H416 PolarHBondContact OG-N 2.87Å; S414-H416 PolarHBondContact OG-O 2.79Å; H416-S418 PolarHBondContact O-N 3.32Å
417	I	74.1	Confident	66.8	Low	52 Å²	52	52.6 Å²	52.6	27%	0.267	27%	0.274	S	S	.	.			trans	-74.5	124	179	-54.3	-178.8	0	0	0	108.8	P412 S446 Q449 L450	P412-I417 HydrophobicContact CG-CG1 4.48Å; I417-S446 WeakPolarHBondContact CG2-OG 3.45Å; I417-Q449 HydrophobicContact CD1-CB 3.98Å; I417-Q449 HydrophobicContact CD1-CG 3.88Å; I417-L450 HydrophobicContact CG2-CD1 3.72Å; I417-L450 HydrophobicContact CG2-CG 4.04Å
418	S	81.4	Confident	68.1	Low	3 Å²	3	51.8 Å²	51.8	2%	0.021	27%	0.267	C	S	.	.			trans	-139.4	121.3	-176.9	160.5	0	0	0	0	109.8	H416 C420 H421 E422 E476	H416-S418 PolarHBondContact O-N 3.32Å; S418-C420 VanDerWaalsContact C-N 3.27Å; S418-C420 PolarHBondContact O-N 2.65Å; S418-C420 PolarHBondContact OG-N 3.15Å; S418-H421 PolarHBondContact O-N 3.21Å; S418-H421 WeakPolarHBondContact OG-CB 3.4Å; S418-H421 PolarHBondContact OG-N 3.38Å; S418-E422 WeakPolarHBondContact O-CG 3.43Å; S418-E422 PolarHBondContact O-N 3.33Å; S418-E422 VanDerWaalsContact O-N 3.14Å; S418-E476 WeakPolarHBondContact CA-OE1 3.47Å; S418-E476 WeakPolarHBondContact CB-OE1 3.36Å; S418-E476 PolarHBondContact OG-OE1 2.89Å
419	L	85.5	Confident	70	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-34.6	175.2	-73	168.5	0	0	0	110.6	H421 E422 L423 M443 V447 L450 I451 L469 K472 V473 E476	L419-H421 VanDerWaalsContact C-N 3.33Å; L419-H421 PolarHBondContact O-N 3.13Å; L419-E422 PolarHBondContact O-N 2.97Å; L419-L423 WeakPolarHBondContact O-CB 3.48Å; L419-L423 WeakPolarHBondContact O-CG 3.38Å; L419-L423 PolarHBondContact O-N 3.22Å; L419-M443 HydrophobicContact CD2-SD 4.4Å; L419-V447 HydrophobicContact CD2-CG2 4.03Å; L419-L450 HydrophobicContact CD1-CB 4.28Å; L419-L450 HydrophobicContact CD1-CD1 4.15Å; L419-L450 HydrophobicContact CD2-CD1 4.35Å; L419-L450 HydrophobicContact CG-CD1 3.65Å; L419-I451 HydrophobicContact CD1-CD1 4.2Å; L419-I451 HydrophobicContact CD1-CG1 4.42Å; L419-L469 HydrophobicContact CD1-CD1 4.22Å; L419-L469 HydrophobicContact CD2-CD1 4.21Å; L419-K472 HydrophobicContact CD1-CB 3.67Å; L419-V473 HydrophobicContact CB-CG2 4.09Å; L419-E476 PolarHBondContact N-OE2 3.39Å
420	C	82.5	Confident	72.2	Confident	4 Å²	4	48 Å²	48	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-41.2	177.9	-65.6	0	0	0	0	111.9	F352 L357 S418 H424	F352-C420 HydrophobicContact CE1-CB 4.22Å; L357-C420 HydrophobicContact CD2-CB 4.25Å; S418-C420 VanDerWaalsContact C-N 3.27Å; S418-C420 PolarHBondContact O-N 2.65Å; S418-C420 PolarHBondContact OG-N 3.15Å; C420-H424 VanDerWaalsContact O-CB 3.3Å; C420-H424 WeakPolarHBondContact O-CB 3.47Å; C420-H424 PolarHBondContact O-N 2.8Å
421	H	80.9	Confident	74.6	Confident	26 Å²	26	44.4 Å²	44.4	12%	0.12	23%	0.228	C	C	.	.	H	α-helix	trans	-67.2	-42.6	176.4	-175.8	64.7	0	0	0	112.8	L357 L361 S418 L419 H424 T425	L357-H421 HydrophobicContact CD2-CB 3.69Å; L361-H421 HydrophobicContact CD1-CB 4.22Å; L361-H421 VanDerWaalsContact CD1-ND1 3.27Å; L361-H421 WeakPolarHBondContact CD1-ND1 3.46Å; S418-H421 PolarHBondContact O-N 3.21Å; S418-H421 WeakPolarHBondContact OG-CB 3.4Å; S418-H421 PolarHBondContact OG-N 3.38Å; L419-H421 VanDerWaalsContact C-N 3.33Å; L419-H421 PolarHBondContact O-N 3.13Å; H421-H424 PolarHBondContact O-N 2.86Å; H421-T425 WeakPolarHBondContact O-CB 3.47Å; H421-T425 PolarHBondContact O-N 2.89Å; H421-T425 PolarHBondContact O-OG1 2.97Å
422	E	86.3	Confident	76.7	Confident	8 Å²	8	39.1 Å²	39.1	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-66.2	-39.6	177	-66.4	-55.1	153.2	0	0	111.8	S418 L419 L426 A442 M443 S446	S418-E422 WeakPolarHBondContact O-CG 3.43Å; S418-E422 PolarHBondContact O-N 3.33Å; S418-E422 VanDerWaalsContact O-N 3.14Å; L419-E422 PolarHBondContact O-N 2.97Å; E422-L426 WeakPolarHBondContact O-CB 3.21Å; E422-L426 PolarHBondContact O-N 3.25Å; E422-A442 WeakPolarHBondContact OE2-CB 3.42Å; E422-M443 HydrophobicContact CB-CE 3.59Å; E422-M443 HydrophobicContact CB-SD 4.01Å; E422-S446 WeakPolarHBondContact CG-OG 3.28Å
423	L	87.9	Confident	78.5	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-47.3	175.7	-77.6	172.1	0	0	0	111	L339 F352 L419 L426 F427 M443 V473	L339-L423 HydrophobicContact CD2-CD2 3.74Å; F352-L423 HydrophobicContact CD1-CB 3.91Å; F352-L423 HydrophobicContact CE1-CB 3.95Å; F352-L423 HydrophobicContact CE1-CD1 4.06Å; F352-L423 HydrophobicContact CZ-CD1 4.1Å; L419-L423 WeakPolarHBondContact O-CB 3.48Å; L419-L423 WeakPolarHBondContact O-CG 3.38Å; L419-L423 PolarHBondContact O-N 3.22Å; L423-L426 PolarHBondContact O-N 3.21Å; L423-F427 HydrophobicContact CD2-CE1 4.22Å; L423-F427 HydrophobicContact CD2-CZ 4.1Å; L423-F427 WeakPolarHBondContact O-CB 3.16Å; L423-F427 WeakPolarHBondContact O-CD1 3.44Å; L423-F427 WeakPolarHBondContact O-CG 3.39Å; L423-F427 PolarHBondContact O-N 3.38Å; L423-M443 HydrophobicContact CB-CE 4.23Å; L423-M443 HydrophobicContact CD2-CE 3.56Å; L423-M443 HydrophobicContact CG-CE 3.7Å; L423-M443 VanDerWaalsContact N-CE 3.34Å; L423-V473 HydrophobicContact CD1-CG2 3.59Å
424	H	83.5	Confident	80.3	Confident	9 Å²	9	38.9 Å²	38.9	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-54.8	-54	175	170.8	83.5	0	0	0	111.6	F352 L355 C420 H421 L426 F427 Q428	F352-H424 PolarHBondContact O-ND1 3.41Å; L355-H424 PolarHBondContact O-CE1 3.09Å; L355-H424 PolarHBondContact O-ND1 3.15Å; L355-H424 VanDerWaalsContact O-ND1 3.13Å; C420-H424 VanDerWaalsContact O-CB 3.3Å; C420-H424 WeakPolarHBondContact O-CB 3.47Å; C420-H424 PolarHBondContact O-N 2.8Å; H421-H424 PolarHBondContact O-N 2.86Å; H424-L426 PolarHBondContact O-N 3.11Å; H424-F427 PolarHBondContact O-N 2.76Å; H424-Q428 PolarHBondContact CE1-NE2 2.91Å; H424-Q428 VanDerWaalsContact NE2-CD 3.3Å; H424-Q428 PolarHBondContact NE2-NE2 2.85Å; H424-Q428 WeakPolarHBondContact O-CG 3.34Å; H424-Q428 PolarHBondContact O-N 3Å
425	T	84.3	Confident	81.9	Confident	38 Å²	38	40.4 Å²	40.4	23%	0.233	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-44.3	-177.9	-58	0	0	0	0	111.2	H421 Q428 V429	H421-T425 WeakPolarHBondContact O-CB 3.47Å; H421-T425 PolarHBondContact O-N 2.89Å; H421-T425 PolarHBondContact O-OG1 2.97Å; T425-Q428 PolarHBondContact O-N 3.34Å; T425-V429 VanDerWaalsContact O-CG2 3.31Å; T425-V429 WeakPolarHBondContact O-CG2 3.36Å; T425-V429 PolarHBondContact O-N 2.98Å; T425-V429 VanDerWaalsContact O-N 3.08Å
426	L	88.3	Confident	83.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-43.6	178.8	-177.1	60.5	0	0	0	111.5	L326 L339 E422 L423 H424 V429 M430 V438 P440 M443	L326-L426 HydrophobicContact CD2-CD1 4.12Å; L339-L426 HydrophobicContact CD1-CD2 3.9Å; L339-L426 HydrophobicContact CD2-CD2 4.38Å; E422-L426 WeakPolarHBondContact O-CB 3.21Å; E422-L426 PolarHBondContact O-N 3.25Å; L423-L426 PolarHBondContact O-N 3.21Å; H424-L426 PolarHBondContact O-N 3.11Å; L426-V429 PolarHBondContact O-N 3.21Å; L426-M430 HydrophobicContact CD1-CG 4.25Å; L426-M430 HydrophobicContact CD1-SD 4.15Å; L426-M430 HydrophobicContact CD2-SD 4.34Å; L426-M430 HydrophobicContact CG-CG 4.38Å; L426-M430 HydrophobicContact CG-SD 3.81Å; L426-M430 VanDerWaalsContact O-CG 3.3Å; L426-M430 WeakPolarHBondContact O-CG 3.1Å; L426-M430 PolarHBondContact O-N 3.44Å; L426-V438 HydrophobicContact CD1-CG1 3.96Å; L426-P440 HydrophobicContact CD1-CB 4.23Å; L426-P440 HydrophobicContact CD2-CB 4.34Å; L426-M443 HydrophobicContact CD2-CE 4.14Å; L426-M443 HydrophobicContact CD2-CG 4.5Å
427	F	89.3	Confident	85	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-40.5	178.4	-70.8	-0.3	0	0	0	112	L342 F348 F352 L353 L423 H424 V429 M430 W431	L342-F427 HydrophobicContact CB-CZ 4.06Å; F348-F427 AromaticContact CD1-CE2 3.75Å; F348-F427 HydrophobicContact CD1-CE2 3.75Å; F348-F427 HydrophobicContact CD1-CZ 4.1Å; F348-F427 AromaticContact CE1-CE2 3.68Å; F348-F427 HydrophobicContact CE1-CE2 3.68Å; F348-F427 AromaticContact CE1-CZ 3.82Å; F348-F427 HydrophobicContact CE1-CZ 3.82Å; F352-F427 HydrophobicContact CB-CD2 3.72Å; F352-F427 HydrophobicContact CB-CE2 4.1Å; F352-F427 HydrophobicContact CD2-CE2 4.4Å; F352-F427 HydrophobicContact CG-CD2 4.35Å; F352-F427 HydrophobicContact CG-CE2 4.29Å; L353-F427 HydrophobicContact CD2-CB 4.11Å; L423-F427 HydrophobicContact CD2-CE1 4.22Å; L423-F427 HydrophobicContact CD2-CZ 4.1Å; L423-F427 WeakPolarHBondContact O-CB 3.16Å; L423-F427 WeakPolarHBondContact O-CD1 3.44Å; L423-F427 WeakPolarHBondContact O-CG 3.39Å; L423-F427 PolarHBondContact O-N 3.38Å; H424-F427 PolarHBondContact O-N 2.76Å; F427-V429 VanDerWaalsContact C-N 3.28Å; F427-V429 PolarHBondContact O-N 3.39Å; F427-M430 PolarHBondContact O-N 3.38Å; F427-W431 WeakPolarHBondContact O-CB 3.47Å; F427-W431 PolarHBondContact O-N 2.98Å
428	Q	86.1	Confident	85.6	Confident	91 Å²	91	25.1 Å²	25.1	43%	0.425	13%	0.129	S	C	.	.	H	α-helix	trans	-57.5	-42.9	172.7	-77.2	-175.6	-22.3	0	0	111.6	L353 H424 T425 S432	L353-Q428 HydrophobicContact CD2-CB 4.35Å; L353-Q428 HydrophobicContact CD2-CG 3.71Å; H424-Q428 PolarHBondContact CE1-NE2 2.91Å; H424-Q428 VanDerWaalsContact NE2-CD 3.3Å; H424-Q428 PolarHBondContact NE2-NE2 2.85Å; H424-Q428 WeakPolarHBondContact O-CG 3.34Å; H424-Q428 PolarHBondContact O-N 3Å; T425-Q428 PolarHBondContact O-N 3.34Å; Q428-S432 WeakPolarHBondContact O-CB 3.31Å; Q428-S432 PolarHBondContact O-N 2.95Å
429	V	87.6	Confident	85.9	Confident	19 Å²	19	25 Å²	25	12%	0.115	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-50.8	177.9	173.3	0	0	0	0	110.8	L406 T425 L426 F427 W431 S432 W435 V438	L406-V429 HydrophobicContact CD2-CB 4.41Å; L406-V429 HydrophobicContact CD2-CG1 3.58Å; L406-V429 HydrophobicContact CD2-CG2 3.82Å; T425-V429 VanDerWaalsContact O-CG2 3.31Å; T425-V429 WeakPolarHBondContact O-CG2 3.36Å; T425-V429 PolarHBondContact O-N 2.98Å; T425-V429 VanDerWaalsContact O-N 3.08Å; L426-V429 PolarHBondContact O-N 3.21Å; F427-V429 VanDerWaalsContact C-N 3.28Å; F427-V429 PolarHBondContact O-N 3.39Å; V429-W431 VanDerWaalsContact C-N 3.3Å; V429-W431 PolarHBondContact O-N 3Å; V429-S432 PolarHBondContact O-N 2.89Å; V429-S432 PolarHBondContact O-OG 2.94Å; V429-W435 HydrophobicContact CG1-CB 4.44Å; V429-W435 HydrophobicContact CG1-CG 4.12Å; V429-V438 HydrophobicContact CG1-CB 4.49Å; V429-V438 HydrophobicContact CG1-CG1 4.33Å; V429-V438 HydrophobicContact CG1-CG2 3.34Å
430	M	89.9	Confident	86.1	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-35	-178.4	-69.6	173.5	67.6	0	0	113	G322 T324 L326 S343 L426 F427	G322-M430 PolarHBondContact N-O 3Å; T324-M430 HydrophobicContact CG2-CG 4.27Å; T324-M430 PolarHBondContact OG1-O 2.9Å; T324-M430 VanDerWaalsContact OG1-O 3.07Å; L326-M430 HydrophobicContact CD2-SD 4.16Å; S343-M430 VanDerWaalsContact OG-CE 3.23Å; S343-M430 WeakPolarHBondContact OG-CE 3.39Å; L426-M430 HydrophobicContact CD1-CG 4.25Å; L426-M430 HydrophobicContact CD1-SD 4.15Å; L426-M430 HydrophobicContact CD2-SD 4.34Å; L426-M430 HydrophobicContact CG-CG 4.38Å; L426-M430 HydrophobicContact CG-SD 3.81Å; L426-M430 VanDerWaalsContact O-CG 3.3Å; L426-M430 WeakPolarHBondContact O-CG 3.1Å; L426-M430 PolarHBondContact O-N 3.44Å; F427-M430 PolarHBondContact O-N 3.38Å
431	W	89	Confident	86.1	Confident	20 Å²	20	26.9 Å²	26.9	8%	0.076	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	9.1	-179.1	-68.7	86.5	0	0	0	113.5	P321 S343 H344 R349 F427 V429 G433 E687	P321-W431 HydrophobicContact CB-CE3 3.81Å; P321-W431 HydrophobicContact CB-CZ3 4.36Å; S343-W431 WeakPolarHBondContact O-CZ2 3.42Å; S343-W431 PolarHBondContact O-NE1 2.8Å; H344-W431 AromaticContact CD2-CZ2 3.9Å; R349-W431 VanDerWaalsContact CD-CD2 3.49Å; F427-W431 WeakPolarHBondContact O-CB 3.47Å; F427-W431 PolarHBondContact O-N 2.98Å; V429-W431 VanDerWaalsContact C-N 3.3Å; V429-W431 PolarHBondContact O-N 3Å; W431-G433 VanDerWaalsContact C-N 3.32Å; W431-G433 PolarHBondContact O-N 2.86Å; W431-E687 HydrophobicContact CE3-CG 4.43Å; W431-E687 HydrophobicContact CZ3-CB 4.21Å; W431-E687 HydrophobicContact CZ3-CG 3.89Å
432	S	84.6	Confident	86.2	Confident	42 Å²	42	25.9 Å²	25.9	29%	0.294	13%	0.132	S	C	.	.	S	Bend	trans	-75.6	-17.9	176.2	65.4	0	0	0	0	114.5	Q428 V429 K434	Q428-S432 WeakPolarHBondContact O-CB 3.31Å; Q428-S432 PolarHBondContact O-N 2.95Å; V429-S432 PolarHBondContact O-N 2.89Å; V429-S432 PolarHBondContact O-OG 2.94Å; S432-K434 PolarHBondContact O-N 3.36Å; S432-K434 PolarHBondContact OG-N 2.76Å
433	G	82.2	Confident	86.3	Confident	3 Å²	3	25.5 Å²	25.5	3%	0.031	13%	0.131	C	C	.	.	S	Bend	trans	66.7	9.7	-170.7	0	0	0	0	0	114.9	V319 W431	V319-G433 PolarHBondContact N-O 3.48Å; V319-G433 CarbonylContact O-C 3.46Å; V319-G433 WeakPolarHBondContact O-CA 3.27Å; W431-G433 VanDerWaalsContact C-N 3.32Å; W431-G433 PolarHBondContact O-N 2.86Å
434	K	82.4	Confident	86.3	Confident	128 Å²	128	25.8 Å²	25.8	56%	0.557	13%	0.132	S	C	*	.	S	Bend	trans	-94.5	-23.7	-177.5	-64.4	173.3	-173.8	168.7	0	113.6	S432	S432-K434 PolarHBondContact O-N 3.36Å; S432-K434 PolarHBondContact OG-N 2.76Å
435	W	84.4	Confident	86.4	Confident	70 Å²	70	28 Å²	28	27%	0.265	14%	0.143	S	C	.	.			trans	-125.5	129.2	-168	-54	106.1	0	0	0	110.7	T324 E405 L406 V429 V438	T324-W435 HydrophobicContact CG2-CB 4.44Å; T324-W435 WeakPolarHBondContact CG2-O 3.15Å; T324-W435 PolarHBondContact OG1-O 2.88Å; E405-W435 WeakPolarHBondContact O-CZ3 3.33Å; L406-W435 HydrophobicContact CB-CD2 3.67Å; L406-W435 HydrophobicContact CB-CE3 3.71Å; L406-W435 HydrophobicContact CB-CG 4.12Å; L406-W435 HydrophobicContact CB-CH2 4.33Å; L406-W435 HydrophobicContact CB-CZ2 4.31Å; L406-W435 HydrophobicContact CB-CZ3 4.04Å; L406-W435 HydrophobicContact CD1-CH2 3.89Å; L406-W435 HydrophobicContact CD1-CZ2 3.79Å; L406-W435 HydrophobicContact CD1-CZ3 4.38Å; L406-W435 HydrophobicContact CG-CZ2 4.43Å; V429-W435 HydrophobicContact CG1-CB 4.44Å; V429-W435 HydrophobicContact CG1-CG 4.12Å; W435-V438 HydrophobicContact CB-CG2 4.19Å
436	A	84.3	Confident	86.6	Confident	41 Å²	41	26.2 Å²	26.2	34%	0.339	13%	0.132	S	C	.	.	S	Bend	trans	-86.5	-25.3	174	0	0	0	0	0	111.7	V319 G325 M404	V319-A436 HydrophobicContact CG2-CB 4.02Å; G325-A436 PolarHBondContact N-O 3.31Å; M404-A436 HydrophobicContact CB-CB 4.2Å; M404-A436 PolarHBondContact O-N 2.9Å
437	L	89.6	Confident	86.7	Confident	25 Å²	25	26.2 Å²	26.2	13%	0.131	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	137	-176.5	179.1	60.4	0	0	0	110.5	G325 R327 E405 L406 S697	G325-L437 CarbonylContact O-C 3.56Å; G325-L437 WeakPolarHBondContact O-CA 3.19Å; R327-L437 HydrophobicContact CB-CD1 4.26Å; E405-L437 WeakPolarHBondContact CA-O 3.35Å; E405-L437 HydrophobicContact CB-CB 4.48Å; E405-L437 HydrophobicContact CG-CB 4.25Å; E405-L437 HydrophobicContact CG-CD2 4.07Å; E405-L437 HydrophobicContact CG-CG 4.1Å; L406-L437 PolarHBondContact N-O 3.21Å; L437-S697 VanDerWaalsContact CD1-CB 3.42Å
438	V	86.6	Confident	86.6	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.5	176.7	178.5	0	0	0	0	109.8	T324 G325 L326 R327 L406 Q408 L426 V429 W435 P440	T324-V438 HydrophobicContact CG2-CB 4.25Å; T324-V438 HydrophobicContact CG2-CG2 3.46Å; T324-V438 VanDerWaalsContact CG2-CG2 3.46Å; G325-V438 PolarHBondContact O-N 3.08Å; L326-V438 CarbonylContact C-O 3.54Å; L326-V438 WeakPolarHBondContact CA-O 3.46Å; L326-V438 HydrophobicContact CD2-CB 4.24Å; R327-V438 PolarHBondContact N-O 3.45Å; L406-V438 HydrophobicContact CB-CG2 4.36Å; L406-V438 CarbonylContact O-C 3.54Å; L406-V438 VanDerWaalsContact O-CA 3.27Å; L406-V438 WeakPolarHBondContact O-CA 3.42Å; Q408-V438 HydrophobicContact CG-CG1 4.39Å; L426-V438 HydrophobicContact CD1-CG1 3.96Å; V429-V438 HydrophobicContact CG1-CB 4.49Å; V429-V438 HydrophobicContact CG1-CG1 4.33Å; V429-V438 HydrophobicContact CG1-CG2 3.34Å; W435-V438 HydrophobicContact CB-CG2 4.19Å; V438-P440 WeakPolarHBondContact O-CD 3.5Å
439	S	89	Confident	86.7	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	104.8	168.3	-57.4	0	0	0	0	109.7	R327 L406 Q408 F441	R327-S439 WeakPolarHBondContact CB-OG 3.42Å; R327-S439 WeakPolarHBondContact CD-OG 3.39Å; L406-S439 PolarHBondContact O-N 3.42Å; Q408-S439 WeakPolarHBondContact CB-O 3.36Å; Q408-S439 PolarHBondContact N-O 2.88Å; S439-F441 PolarHBondContact O-N 2.69Å
440	P	88.9	Confident	86.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.148	C	C	.	.			trans	-81.7	57.8	-171	34.9	-37.7	0	0	0	112.7	L326 L329 M335 L426 V438 M443 L444	L326-P440 HydrophobicContact CD2-CG 4.38Å; L329-P440 HydrophobicContact CD1-CG 4.37Å; M335-P440 HydrophobicContact CE-CG 4.19Å; L426-P440 HydrophobicContact CD1-CB 4.23Å; L426-P440 HydrophobicContact CD2-CB 4.34Å; V438-P440 WeakPolarHBondContact O-CD 3.5Å; P440-M443 HydrophobicContact CB-CB 4.13Å; P440-L444 PolarHBondContact O-N 3.46Å
441	F	83.1	Confident	86.8	Confident	43 Å²	43	30 Å²	30	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-41.1	-177.4	-77.9	-74.9	0	0	0	113.1	L329 I407 K410 S439 L444 H445	L329-F441 HydrophobicContact CD1-CD1 3.69Å; L329-F441 HydrophobicContact CD1-CD2 4.4Å; L329-F441 HydrophobicContact CD1-CE1 3.91Å; L329-F441 HydrophobicContact CD1-CG 3.96Å; L329-F441 HydrophobicContact CD1-CZ 4.36Å; L329-F441 HydrophobicContact CD2-CD1 4.29Å; L329-F441 HydrophobicContact CD2-CD2 4.48Å; L329-F441 HydrophobicContact CD2-CE1 3.68Å; L329-F441 HydrophobicContact CD2-CE2 3.9Å; L329-F441 HydrophobicContact CD2-CZ 3.46Å; L329-F441 VanDerWaalsContact CD2-CZ 3.46Å; L329-F441 HydrophobicContact CG-CE1 4.28Å; L329-F441 HydrophobicContact CG-CZ 4.49Å; I407-F441 HydrophobicContact CG2-CD2 3.88Å; I407-F441 HydrophobicContact CG2-CE2 3.84Å; K410-F441 HydrophobicContact CG-CB 4.42Å; K410-F441 HydrophobicContact CG-CD1 4.19Å; K410-F441 HydrophobicContact CG-CG 4.31Å; S439-F441 PolarHBondContact O-N 2.69Å; F441-L444 PolarHBondContact O-N 2.84Å; F441-H445 WeakPolarHBondContact O-CB 3.36Å; F441-H445 PolarHBondContact O-N 3.03Å
442	A	82	Confident	86.6	Confident	5 Å²	5	33.5 Å²	33.5	4%	0.041	17%	0.174	C	C	.	.	H	α-helix	trans	-65.8	-44.7	-179.3	0	0	0	0	0	110.9	Q408 E422 H445 S446	Q408-A442 HydrophobicContact CB-CB 4.42Å; E422-A442 WeakPolarHBondContact OE2-CB 3.42Å; A442-H445 PolarHBondContact O-N 3.43Å; A442-S446 WeakPolarHBondContact O-CB 3.38Å; A442-S446 PolarHBondContact O-N 3.26Å; A442-S446 PolarHBondContact O-OG 3.42Å; A442-S446 VanDerWaalsContact O-OG 3.08Å
443	M	89.3	Confident	86.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-51	171	179.2	59.6	74.5	0	0	112.5	M335 L339 L419 E422 L423 L426 P440 H445 S446 V447	M335-M443 HydrophobicContact SD-CG 4.42Å; L339-M443 HydrophobicContact CD1-CG 3.9Å; L339-M443 HydrophobicContact CD2-CE 4.22Å; L339-M443 HydrophobicContact CD2-CG 4.47Å; L339-M443 HydrophobicContact CD2-SD 4.48Å; L419-M443 HydrophobicContact CD2-SD 4.4Å; E422-M443 HydrophobicContact CB-CE 3.59Å; E422-M443 HydrophobicContact CB-SD 4.01Å; L423-M443 HydrophobicContact CB-CE 4.23Å; L423-M443 HydrophobicContact CD2-CE 3.56Å; L423-M443 HydrophobicContact CG-CE 3.7Å; L423-M443 VanDerWaalsContact N-CE 3.34Å; L426-M443 HydrophobicContact CD2-CE 4.14Å; L426-M443 HydrophobicContact CD2-CG 4.5Å; P440-M443 HydrophobicContact CB-CB 4.13Å; M443-H445 VanDerWaalsContact C-N 3.32Å; M443-H445 PolarHBondContact O-N 3Å; M443-S446 PolarHBondContact O-N 3.47Å; M443-V447 WeakPolarHBondContact O-CG2 3.46Å; M443-V447 PolarHBondContact O-N 2.92Å; M443-V447 HydrophobicContact SD-CG2 4.25Å
444	L	88.3	Confident	87.1	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.031	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-44	-180	179.7	63.8	0	0	0	111.8	L329 T332 M335 P440 F441 V447 W448	L329-L444 HydrophobicContact CB-CD2 3.76Å; L329-L444 HydrophobicContact CD1-CB 4.3Å; L329-L444 HydrophobicContact CD1-CD2 3.83Å; L329-L444 HydrophobicContact CG-CD2 4.44Å; T332-L444 HydrophobicContact CG2-CD1 3.86Å; T332-L444 HydrophobicContact CG2-CD2 4.1Å; M335-L444 HydrophobicContact CE-CB 4.19Å; M335-L444 HydrophobicContact CE-CD1 4.12Å; M335-L444 HydrophobicContact SD-CB 4.49Å; M335-L444 HydrophobicContact SD-CD1 4.01Å; P440-L444 PolarHBondContact O-N 3.46Å; F441-L444 PolarHBondContact O-N 2.84Å; L444-V447 PolarHBondContact O-N 3.37Å; L444-W448 HydrophobicContact CD1-CD2 4.47Å; L444-W448 HydrophobicContact CD1-CZ2 3.96Å; L444-W448 HydrophobicContact CD2-CH2 3.97Å; L444-W448 HydrophobicContact CD2-CZ2 3.9Å; L444-W448 HydrophobicContact CG-CD2 4.35Å; L444-W448 HydrophobicContact CG-CH2 4.29Å; L444-W448 HydrophobicContact CG-CZ2 3.97Å; L444-W448 PolarHBondContact O-N 3.36Å
445	H	84.8	Confident	87.3	Confident	57 Å²	57	36.5 Å²	36.5	26%	0.264	19%	0.188	S	C	.	.	H	α-helix	trans	-62.6	-45.5	177.9	-176.5	-100	0	0	0	111.2	F441 A442 M443 V447 W448 Q449	F441-H445 WeakPolarHBondContact O-CB 3.36Å; F441-H445 PolarHBondContact O-N 3.03Å; A442-H445 PolarHBondContact O-N 3.43Å; M443-H445 VanDerWaalsContact C-N 3.32Å; M443-H445 PolarHBondContact O-N 3Å; H445-V447 VanDerWaalsContact C-N 3.34Å; H445-V447 PolarHBondContact O-N 3.44Å; H445-W448 PolarHBondContact O-N 3.08Å; H445-Q449 PolarHBondContact NE2-NE2 3.29Å; H445-Q449 WeakPolarHBondContact O-CG 3.44Å; H445-Q449 PolarHBondContact O-N 2.94Å
446	S	88	Confident	87.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-42.1	176.6	-65.5	0	0	0	0	112.3	I417 E422 A442 M443 Q449 L450	I417-S446 WeakPolarHBondContact CG2-OG 3.45Å; E422-S446 WeakPolarHBondContact CG-OG 3.28Å; A442-S446 WeakPolarHBondContact O-CB 3.38Å; A442-S446 PolarHBondContact O-N 3.26Å; A442-S446 PolarHBondContact O-OG 3.42Å; A442-S446 VanDerWaalsContact O-OG 3.08Å; M443-S446 PolarHBondContact O-N 3.47Å; S446-Q449 PolarHBondContact O-N 3.07Å; S446-L450 WeakPolarHBondContact O-CB 3.37Å; S446-L450 WeakPolarHBondContact O-CG 3.49Å; S446-L450 PolarHBondContact O-N 3Å
447	V	90.6	Very high	87.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.2	-47.7	173.7	167.9	0	0	0	0	111.1	M335 L419 M443 L444 H445 Q449 L450 I451 F454 F465	M335-V447 HydrophobicContact SD-CG2 4.47Å; L419-V447 HydrophobicContact CD2-CG2 4.03Å; M443-V447 WeakPolarHBondContact O-CG2 3.46Å; M443-V447 PolarHBondContact O-N 2.92Å; M443-V447 HydrophobicContact SD-CG2 4.25Å; L444-V447 PolarHBondContact O-N 3.37Å; H445-V447 VanDerWaalsContact C-N 3.34Å; H445-V447 PolarHBondContact O-N 3.44Å; V447-Q449 VanDerWaalsContact C-N 3.29Å; V447-Q449 PolarHBondContact O-N 3.08Å; V447-L450 PolarHBondContact O-N 3.23Å; V447-I451 CarbonylContact O-C 3.58Å; V447-I451 VanDerWaalsContact O-CA 3.31Å; V447-I451 WeakPolarHBondContact O-CA 3.21Å; V447-I451 WeakPolarHBondContact O-CB 3.41Å; V447-I451 PolarHBondContact O-N 3.39Å; V447-F454 HydrophobicContact CG1-CB 4.09Å; V447-F465 HydrophobicContact CG1-CE2 3.75Å; V447-F465 HydrophobicContact CG2-CE2 4.04Å; V447-F465 HydrophobicContact CG2-CZ 4.19Å
448	W	88.3	Confident	86.7	Confident	36 Å²	36	39.1 Å²	39.1	14%	0.136	21%	0.208	C	C	.	.	H	α-helix	trans	-65.4	-29.9	-179.7	-74.8	-6.3	0	0	0	114.5	L444 H445 F454 R455 G456 Y457	L444-W448 HydrophobicContact CD1-CD2 4.47Å; L444-W448 HydrophobicContact CD1-CZ2 3.96Å; L444-W448 HydrophobicContact CD2-CH2 3.97Å; L444-W448 HydrophobicContact CD2-CZ2 3.9Å; L444-W448 HydrophobicContact CG-CD2 4.35Å; L444-W448 HydrophobicContact CG-CH2 4.29Å; L444-W448 HydrophobicContact CG-CZ2 3.97Å; L444-W448 PolarHBondContact O-N 3.36Å; H445-W448 PolarHBondContact O-N 3.08Å; W448-F454 PolarHBondContact NE1-O 3.02Å; W448-R455 HydrophobicContact CB-CB 4.47Å; W448-R455 HydrophobicContact CB-CG 4.26Å; W448-R455 VanDerWaalsContact CD1-CA 3.47Å; W448-R455 HydrophobicContact CG-CB 4.41Å; W448-R455 HydrophobicContact CG-CG 4.26Å; W448-G456 WeakPolarHBondContact CZ2-O 3.36Å; W448-G456 PolarHBondContact NE1-O 2.79Å; W448-Y457 HydrophobicContact CH2-CD1 4.11Å; W448-Y457 AromaticContact CH2-CE1 3.48Å; W448-Y457 HydrophobicContact CH2-CE1 3.48Å; W448-Y457 VanDerWaalsContact CH2-CE1 3.48Å; W448-Y457 AromaticContact CH2-CE2 3.91Å; W448-Y457 HydrophobicContact CH2-CE2 3.91Å; W448-Y457 AromaticContact CH2-CZ 3.37Å; W448-Y457 WeakPolarHBondContact CH2-OH 3.46Å; W448-Y457 HydrophobicContact CZ2-CD1 4.06Å; W448-Y457 AromaticContact CZ2-CE1 3.89Å; W448-Y457 HydrophobicContact CZ2-CE1 3.89Å; W448-Y457 HydrophobicContact CZ2-CE2 4.49Å; W448-Y457 HydrophobicContact CZ2-CG 4.48Å
449	Q	88	Confident	86.6	Confident	88 Å²	88	41.2 Å²	41.2	41%	0.411	22%	0.218	S	C	.	.	H	α-helix	trans	-81.2	-41.2	178.5	-63.4	-62.1	-18.8	0	0	111.9	I417 H445 S446 V447	I417-Q449 HydrophobicContact CD1-CB 3.98Å; I417-Q449 HydrophobicContact CD1-CG 3.88Å; H445-Q449 PolarHBondContact NE2-NE2 3.29Å; H445-Q449 WeakPolarHBondContact O-CG 3.44Å; H445-Q449 PolarHBondContact O-N 2.94Å; S446-Q449 PolarHBondContact O-N 3.07Å; V447-Q449 VanDerWaalsContact C-N 3.29Å; V447-Q449 PolarHBondContact O-N 3.08Å
450	L	88.3	Confident	86.7	Confident	63 Å²	63	43 Å²	43	33%	0.33	23%	0.226	S	C	.	.	H	α-helix	trans	-92	-21.5	-173.8	-64	172.9	0	0	0	113.5	I417 L419 S446 V447	I417-L450 HydrophobicContact CG2-CD1 3.72Å; I417-L450 HydrophobicContact CG2-CG 4.04Å; L419-L450 HydrophobicContact CD1-CB 4.28Å; L419-L450 HydrophobicContact CD1-CD1 4.15Å; L419-L450 HydrophobicContact CD2-CD1 4.35Å; L419-L450 HydrophobicContact CG-CD1 3.65Å; S446-L450 WeakPolarHBondContact O-CB 3.37Å; S446-L450 WeakPolarHBondContact O-CG 3.49Å; S446-L450 PolarHBondContact O-N 3Å; V447-L450 PolarHBondContact O-N 3.23Å
451	I	90.5	Very high	86.9	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.015	23%	0.229	C	C	.	.			trans	-130.5	76.6	179.5	-34.1	-172.4	0	0	0	109.8	L419 V447 A453 F454 E468 K472	L419-I451 HydrophobicContact CD1-CD1 4.2Å; L419-I451 HydrophobicContact CD1-CG1 4.42Å; V447-I451 CarbonylContact O-C 3.58Å; V447-I451 VanDerWaalsContact O-CA 3.31Å; V447-I451 WeakPolarHBondContact O-CA 3.21Å; V447-I451 WeakPolarHBondContact O-CB 3.41Å; V447-I451 PolarHBondContact O-N 3.39Å; I451-A453 PolarHBondContact O-N 3.34Å; I451-F454 HydrophobicContact CB-CD2 4.11Å; I451-F454 HydrophobicContact CG2-CD2 3.5Å; I451-F454 VanDerWaalsContact CG2-CD2 3.5Å; I451-F454 HydrophobicContact CG2-CE2 3.77Å; I451-F454 PolarHBondContact O-N 3.33Å; I451-F454 VanDerWaalsContact O-N 3.08Å; I451-E468 HydrophobicContact CD1-CB 4.48Å; I451-E468 HydrophobicContact CG2-CB 3.99Å; I451-K472 HydrophobicContact CD1-CB 4.27Å; I451-K472 HydrophobicContact CD1-CG 3.97Å; I451-K472 HydrophobicContact CG1-CG 3.99Å
452	P	85.9	Confident	87.5	Confident	93 Å²	93	41.5 Å²	41.5	60%	0.604	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-59.1	-21.8	-171.5	-26.7	35.8	0	0	0	115.3	F454 R455	P452-F454 PolarHBondContact O-N 3.06Å; P452-R455 WeakPolarHBondContact O-CB 3.39Å; P452-R455 PolarHBondContact O-N 3.2Å; P452-R455 VanDerWaalsContact O-N 3.07Å
453	A	87	Confident	88.1	Confident	66 Å²	66	43.2 Å²	43.2	55%	0.545	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-58.7	-31.5	176.3	0	0	0	0	0	113.1	I451	I451-A453 PolarHBondContact O-N 3.34Å
454	F	89	Confident	88.3	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-93.7	7.8	178.7	-61.8	-84	0	0	0	113.1	Y334 V447 W448 I451 P452 G456 Q460 E464 F465 E468	Y334-F454 AromaticContact CE2-CD1 3.73Å; Y334-F454 HydrophobicContact CE2-CD1 3.73Å; Y334-F454 HydrophobicContact CE2-CE1 4.27Å; V447-F454 HydrophobicContact CG1-CB 4.09Å; W448-F454 PolarHBondContact NE1-O 3.02Å; I451-F454 HydrophobicContact CB-CD2 4.11Å; I451-F454 HydrophobicContact CG2-CD2 3.5Å; I451-F454 VanDerWaalsContact CG2-CD2 3.5Å; I451-F454 HydrophobicContact CG2-CE2 3.77Å; I451-F454 PolarHBondContact O-N 3.33Å; I451-F454 VanDerWaalsContact O-N 3.08Å; P452-F454 PolarHBondContact O-N 3.06Å; F454-G456 PolarHBondContact O-N 3.47Å; F454-Q460 HydrophobicContact CD1-CB 3.78Å; F454-Q460 HydrophobicContact CD1-CG 3.78Å; F454-Q460 HydrophobicContact CE1-CB 3.96Å; F454-Q460 HydrophobicContact CE1-CG 4.38Å; F454-E464 HydrophobicContact CZ-CB 4.26Å; F454-E464 HydrophobicContact CZ-CG 4.01Å; F454-F465 HydrophobicContact CD1-CB 4.18Å; F454-F465 AromaticContact CD1-CD2 3.97Å; F454-F465 HydrophobicContact CD1-CD2 3.97Å; F454-F465 HydrophobicContact CD2-CD2 4.18Å; F454-F465 HydrophobicContact CE1-CB 3.56Å; F454-F465 HydrophobicContact CE1-CD2 4.08Å; F454-F465 HydrophobicContact CE1-CG 4.31Å; F454-F465 HydrophobicContact CE2-CD2 4.27Å; F454-F465 HydrophobicContact CG-CD2 4.06Å; F454-F465 HydrophobicContact CZ-CB 3.84Å; F454-F465 HydrophobicContact CZ-CD2 4.25Å; F454-E468 HydrophobicContact CE2-CB 3.76Å; F454-E468 HydrophobicContact CE2-CG 3.87Å; F454-E468 HydrophobicContact CZ-CB 4.39Å; F454-E468 HydrophobicContact CZ-CG 4.32Å
455	R	86.6	Confident	88.7	Confident	169 Å²	169	47 Å²	47	64%	0.638	25%	0.245	S	C	*	.			trans	-67.3	128.8	-177.9	-174	173.7	177.1	168.8	-0.8	111.5	W448 P452	W448-R455 HydrophobicContact CB-CB 4.47Å; W448-R455 HydrophobicContact CB-CG 4.26Å; W448-R455 VanDerWaalsContact CD1-CA 3.47Å; W448-R455 HydrophobicContact CG-CB 4.41Å; W448-R455 HydrophobicContact CG-CG 4.26Å; P452-R455 WeakPolarHBondContact O-CB 3.39Å; P452-R455 PolarHBondContact O-N 3.2Å; P452-R455 VanDerWaalsContact O-N 3.07Å
456	G	81.3	Confident	89.2	Confident	25 Å²	25	44.3 Å²	44.3	26%	0.258	23%	0.233	S	C	.	.	S	Bend	trans	106.6	-168.3	178.5	0	0	0	0	0	112.3	W448 F454	W448-G456 WeakPolarHBondContact CZ2-O 3.36Å; W448-G456 PolarHBondContact NE1-O 2.79Å; F454-G456 PolarHBondContact O-N 3.47Å
457	Y	84.6	Confident	89.4	Confident	108 Å²	108	46 Å²	46	42%	0.424	24%	0.244	S	C	.	.	S	Bend	trans	-113.3	23.5	-172.8	-54.9	-85.7	0	0	0	112.1	L329 N331 W448	L329-Y457 WeakPolarHBondContact O-CD1 3.25Å; L329-Y457 WeakPolarHBondContact O-CE1 3.49Å; N331-Y457 VanDerWaalsContact CB-O 3.3Å; N331-Y457 WeakPolarHBondContact CB-O 3.23Å; N331-Y457 PolarHBondContact ND2-O 2.95Å; W448-Y457 HydrophobicContact CH2-CD1 4.11Å; W448-Y457 AromaticContact CH2-CE1 3.48Å; W448-Y457 HydrophobicContact CH2-CE1 3.48Å; W448-Y457 VanDerWaalsContact CH2-CE1 3.48Å; W448-Y457 AromaticContact CH2-CE2 3.91Å; W448-Y457 HydrophobicContact CH2-CE2 3.91Å; W448-Y457 AromaticContact CH2-CZ 3.37Å; W448-Y457 WeakPolarHBondContact CH2-OH 3.46Å; W448-Y457 HydrophobicContact CZ2-CD1 4.06Å; W448-Y457 AromaticContact CZ2-CE1 3.89Å; W448-Y457 HydrophobicContact CZ2-CE1 3.89Å; W448-Y457 HydrophobicContact CZ2-CE2 4.49Å; W448-Y457 HydrophobicContact CZ2-CG 4.48Å
458	A	81.4	Confident	89.5	Confident	58 Å²	58	49.4 Å²	49.4	48%	0.479	26%	0.26	S	S	.	.	S	Bend	trans	-71.5	154.4	171.7	0	0	0	0	0	109.7
459	Q	85	Confident	89.7	Confident	44 Å²	44	47.7 Å²	47.7	21%	0.206	25%	0.253	C	S	.	.			trans	-69.5	143.1	167.3	-62.2	-161.3	-18.9	0	0	109.8	N331 S676 G677	N331-Q459 HydrophobicContact CB-CG 3.96Å; N331-Q459 PolarHBondContact OD1-NE2 3.21Å; Q459-S676 VanDerWaalsContact OE1-N 3.13Å; Q459-G677 PolarHBondContact NE2-O 3.14Å
460	Q	91.1	Very high	89.8	Confident	37 Å²	37	43.5 Å²	43.5	17%	0.173	23%	0.234	C	C	.	.			trans	-135.3	159.2	-173.6	-59.3	-69.8	1.9	0	0	110.1	Y334 F454 Y679	Y334-Q460 WeakPolarHBondContact CB-O 3.3Å; Y334-Q460 HydrophobicContact CD1-CB 3.89Å; Y334-Q460 HydrophobicContact CD1-CG 4.46Å; Y334-Q460 HydrophobicContact CD2-CB 3.95Å; Y334-Q460 HydrophobicContact CE1-CB 3.8Å; Y334-Q460 HydrophobicContact CE1-CG 3.91Å; Y334-Q460 HydrophobicContact CE2-CB 3.87Å; Y334-Q460 HydrophobicContact CE2-CG 4.37Å; Y334-Q460 HydrophobicContact CG-CB 3.98Å; F454-Q460 HydrophobicContact CD1-CB 3.78Å; F454-Q460 HydrophobicContact CD1-CG 3.78Å; F454-Q460 HydrophobicContact CE1-CB 3.96Å; F454-Q460 HydrophobicContact CE1-CG 4.38Å; Q460-Y679 WeakPolarHBondContact O-CE2 3.4Å
461	D	92.9	Very high	89.7	Confident	13 Å²	13	43.9 Å²	43.9	7%	0.07	24%	0.236	C	C	.	.			trans	-77.7	127.3	177.4	-159.9	-65	0	0	0	111.1	Q463 E464 F465 Y713	D461-Q463 VanDerWaalsContact C-N 3.31Å; D461-Q463 PolarHBondContact O-N 3.07Å; D461-Q463 WeakPolarHBondContact OD1-CB 3.48Å; D461-Q463 PolarHBondContact OD1-N 3.3Å; D461-E464 HydrophobicContact CB-CB 3.97Å; D461-E464 PolarHBondContact O-N 2.87Å; D461-F465 WeakPolarHBondContact O-CB 3.43Å; D461-F465 PolarHBondContact O-N 3.28Å; D461-Y713 PolarHBondContact OD1-OH 2.82Å; D461-Y713 PolarHBondContact OD2-OH 2.89Å
462	A	95.1	Very high	89.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-30.8	179.3	0	0	0	0	0	113.2	I338 L466 V667 Y679 Y713 I714	I338-A462 HydrophobicContact CD1-CB 4.17Å; I338-A462 HydrophobicContact CG1-CB 4.08Å; I338-A462 WeakPolarHBondContact CG1-O 3.3Å; A462-L466 WeakPolarHBondContact O-CB 3.49Å; A462-L466 PolarHBondContact O-N 2.93Å; A462-V667 HydrophobicContact CB-CG1 4.42Å; A462-Y679 HydrophobicContact CB-CD1 3.72Å; A462-Y679 HydrophobicContact CB-CE1 3.48Å; A462-Y679 VanDerWaalsContact CB-CE1 3.48Å; A462-Y679 HydrophobicContact CB-CE2 4.42Å; A462-Y679 HydrophobicContact CB-CG 4.29Å; A462-Y713 HydrophobicContact CB-CE1 4.39Å; A462-I714 HydrophobicContact CB-CD1 4.48Å
463	Q	94.6	Very high	89.5	Confident	41 Å²	41	41.9 Å²	41.9	19%	0.192	22%	0.218	C	C	.	.	H	α-helix	trans	-72	-45	177.6	-177.8	-88.3	-16.8	0	0	110.6	D461 F465 L466 C467 D531 H611 Y713 I714	D461-Q463 VanDerWaalsContact C-N 3.31Å; D461-Q463 PolarHBondContact O-N 3.07Å; D461-Q463 WeakPolarHBondContact OD1-CB 3.48Å; D461-Q463 PolarHBondContact OD1-N 3.3Å; Q463-F465 VanDerWaalsContact C-N 3.33Å; Q463-F465 PolarHBondContact O-N 3Å; Q463-L466 PolarHBondContact O-N 3.43Å; Q463-C467 PolarHBondContact NE2-SG 3.36Å; Q463-C467 VanDerWaalsContact NE2-SG 3.4Å; Q463-C467 PolarHBondContact O-N 3.07Å; Q463-C467 PolarHBondContact O-SG 3.48Å; Q463-C467 VanDerWaalsContact O-SG 3.42Å; Q463-D531 PolarHBondContact NE2-OD1 2.96Å; Q463-H611 HydrophobicContact CG-CB 4.16Å; Q463-Y713 HydrophobicContact CB-CE1 4.23Å; Q463-I714 HydrophobicContact CB-CD1 3.86Å; Q463-I714 HydrophobicContact CB-CG1 4.5Å
464	E	94.1	Very high	89.3	Confident	84 Å²	84	40 Å²	40	39%	0.393	20%	0.198	S	C	.	.	H	α-helix	trans	-60.1	-46.1	175.8	-166.5	-178.5	175.7	0	0	110.5	F454 D461 L466 C467 E468	F454-E464 HydrophobicContact CZ-CB 4.26Å; F454-E464 HydrophobicContact CZ-CG 4.01Å; D461-E464 HydrophobicContact CB-CB 3.97Å; D461-E464 PolarHBondContact O-N 2.87Å; E464-L466 PolarHBondContact O-N 2.99Å; E464-C467 PolarHBondContact O-N 3.41Å; E464-E468 WeakPolarHBondContact O-CB 3.33Å; E464-E468 WeakPolarHBondContact O-CG 3.43Å; E464-E468 PolarHBondContact O-N 3Å
465	F	95.8	Very high	89	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59	-44.8	176.4	176.6	-110.8	0	0	0	112.7	Y334 M335 I338 V447 F454 D461 Q463 C467 L469	Y334-F465 HydrophobicContact CD2-CB 3.66Å; Y334-F465 HydrophobicContact CD2-CD1 4.03Å; Y334-F465 HydrophobicContact CD2-CD2 4.32Å; Y334-F465 AromaticContact CD2-CG 3.72Å; Y334-F465 HydrophobicContact CD2-CG 3.72Å; Y334-F465 HydrophobicContact CE2-CB 3.82Å; Y334-F465 HydrophobicContact CE2-CD1 4.15Å; Y334-F465 AromaticContact CE2-CD2 3.72Å; Y334-F465 HydrophobicContact CE2-CD2 3.72Å; Y334-F465 HydrophobicContact CE2-CE2 4.37Å; Y334-F465 AromaticContact CE2-CG 3.59Å; Y334-F465 HydrophobicContact CE2-CG 3.59Å; M335-F465 HydrophobicContact CB-CD1 4.38Å; M335-F465 HydrophobicContact CB-CE1 3.91Å; M335-F465 HydrophobicContact CB-CZ 4.09Å; M335-F465 HydrophobicContact CG-CE1 3.71Å; M335-F465 HydrophobicContact CG-CE2 4.44Å; M335-F465 HydrophobicContact CG-CZ 3.59Å; M335-F465 HydrophobicContact SD-CZ 4.43Å; I338-F465 HydrophobicContact CB-CD1 3.95Å; I338-F465 HydrophobicContact CB-CE1 4.09Å; I338-F465 HydrophobicContact CG1-CD1 4.04Å; I338-F465 HydrophobicContact CG2-CD1 4.06Å; I338-F465 HydrophobicContact CG2-CE1 4.05Å; V447-F465 HydrophobicContact CG1-CE2 3.75Å; V447-F465 HydrophobicContact CG2-CE2 4.04Å; V447-F465 HydrophobicContact CG2-CZ 4.19Å; F454-F465 HydrophobicContact CD1-CB 4.18Å; F454-F465 AromaticContact CD1-CD2 3.97Å; F454-F465 HydrophobicContact CD1-CD2 3.97Å; F454-F465 HydrophobicContact CD2-CD2 4.18Å; F454-F465 HydrophobicContact CE1-CB 3.56Å; F454-F465 HydrophobicContact CE1-CD2 4.08Å; F454-F465 HydrophobicContact CE1-CG 4.31Å; F454-F465 HydrophobicContact CE2-CD2 4.27Å; F454-F465 HydrophobicContact CG-CD2 4.06Å; F454-F465 HydrophobicContact CZ-CB 3.84Å; F454-F465 HydrophobicContact CZ-CD2 4.25Å; D461-F465 WeakPolarHBondContact O-CB 3.43Å; D461-F465 PolarHBondContact O-N 3.28Å; Q463-F465 VanDerWaalsContact C-N 3.33Å; Q463-F465 PolarHBondContact O-N 3Å; F465-C467 PolarHBondContact O-N 2.92Å; F465-L469 HydrophobicContact CE1-CD2 3.98Å; F465-L469 HydrophobicContact CE2-CB 4.44Å; F465-L469 HydrophobicContact CZ-CB 4.34Å; F465-L469 HydrophobicContact CZ-CD1 4.46Å; F465-L469 HydrophobicContact CZ-CD2 3.93Å; F465-L469 HydrophobicContact CZ-CG 4.48Å; F465-L469 WeakPolarHBondContact O-CB 3.44Å; F465-L469 PolarHBondContact O-N 3.13Å
466	L	94.9	Very high	88.8	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-44	178.6	173.1	64.8	0	0	0	112	I338 L342 A462 Q463 E464 L470 F716	I338-L466 HydrophobicContact CD1-CB 3.98Å; I338-L466 HydrophobicContact CD1-CD2 4.3Å; I338-L466 HydrophobicContact CG1-CB 4.23Å; I338-L466 HydrophobicContact CG2-CB 4.06Å; I338-L466 HydrophobicContact CG2-CD1 3.66Å; I338-L466 HydrophobicContact CG2-CG 4.41Å; L342-L466 HydrophobicContact CD1-CD1 4.2Å; L342-L466 HydrophobicContact CD2-CD1 4Å; L342-L466 HydrophobicContact CG-CD1 4.29Å; A462-L466 WeakPolarHBondContact O-CB 3.49Å; A462-L466 PolarHBondContact O-N 2.93Å; Q463-L466 PolarHBondContact O-N 3.43Å; E464-L466 PolarHBondContact O-N 2.99Å; L466-L470 HydrophobicContact CD1-CD1 3.95Å; L466-L470 HydrophobicContact CD1-CG 4.14Å; L466-L470 HydrophobicContact CG-CD1 4.42Å; L466-L470 WeakPolarHBondContact O-CG 3.25Å; L466-L470 PolarHBondContact O-N 3.22Å; L466-L470 VanDerWaalsContact O-N 3.11Å; L466-F716 HydrophobicContact CD2-CE1 4.01Å; L466-F716 HydrophobicContact CD2-CZ 3.61Å
467	C	92.3	Very high	88.5	Confident	34 Å²	34	36.8 Å²	36.8	23%	0.23	18%	0.183	C	C	.	.	H	α-helix	trans	-64.9	-49	179.7	-70.8	0	0	0	0	111.3	Q463 E464 F465 L469 L470 D471	Q463-C467 PolarHBondContact NE2-SG 3.36Å; Q463-C467 VanDerWaalsContact NE2-SG 3.4Å; Q463-C467 PolarHBondContact O-N 3.07Å; Q463-C467 PolarHBondContact O-SG 3.48Å; Q463-C467 VanDerWaalsContact O-SG 3.42Å; E464-C467 PolarHBondContact O-N 3.41Å; F465-C467 PolarHBondContact O-N 2.92Å; C467-L469 PolarHBondContact O-N 3.02Å; C467-L470 PolarHBondContact O-N 2.9Å; C467-D471 WeakPolarHBondContact O-CB 3.49Å; C467-D471 PolarHBondContact O-N 3.28Å
468	E	93.1	Very high	88	Confident	72 Å²	72	34.4 Å²	34.4	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-64.8	-39.1	179.3	-71	-70.6	149.6	0	0	112.3	I451 F454 E464 K472	I451-E468 HydrophobicContact CD1-CB 4.48Å; I451-E468 HydrophobicContact CG2-CB 3.99Å; F454-E468 HydrophobicContact CE2-CB 3.76Å; F454-E468 HydrophobicContact CE2-CG 3.87Å; F454-E468 HydrophobicContact CZ-CB 4.39Å; F454-E468 HydrophobicContact CZ-CG 4.32Å; E464-E468 WeakPolarHBondContact O-CB 3.33Å; E464-E468 WeakPolarHBondContact O-CG 3.43Å; E464-E468 PolarHBondContact O-N 3Å; E468-K472 WeakPolarHBondContact O-CB 3.42Å; E468-K472 WeakPolarHBondContact O-CG 3.48Å; E468-K472 PolarHBondContact O-N 3.48Å
469	L	92.7	Very high	87.6	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-48.2	176	178.8	65.8	0	0	0	111.4	L339 L342 L419 F465 C467 K472 V473	L339-L469 HydrophobicContact CD2-CD2 4.42Å; L342-L469 HydrophobicContact CD1-CD2 3.82Å; L419-L469 HydrophobicContact CD1-CD1 4.22Å; L419-L469 HydrophobicContact CD2-CD1 4.21Å; F465-L469 HydrophobicContact CE1-CD2 3.98Å; F465-L469 HydrophobicContact CE2-CB 4.44Å; F465-L469 HydrophobicContact CZ-CB 4.34Å; F465-L469 HydrophobicContact CZ-CD1 4.46Å; F465-L469 HydrophobicContact CZ-CD2 3.93Å; F465-L469 HydrophobicContact CZ-CG 4.48Å; F465-L469 WeakPolarHBondContact O-CB 3.44Å; F465-L469 PolarHBondContact O-N 3.13Å; C467-L469 PolarHBondContact O-N 3.02Å; L469-K472 PolarHBondContact O-N 3.37Å; L469-V473 HydrophobicContact CD1-CG2 4.39Å; L469-V473 WeakPolarHBondContact O-CB 3.27Å; L469-V473 WeakPolarHBondContact O-CG2 3.43Å; L469-V473 PolarHBondContact O-N 3.42Å
470	L	88.9	Confident	86.5	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-68.9	-38.8	-178.9	-70.2	-178.6	0	0	0	112.5	L342 F348 L466 C467 K472 V473 Q474 F506 W530	L342-L470 HydrophobicContact CD2-CD2 4.42Å; F348-L470 HydrophobicContact CE2-CD2 4.09Å; F348-L470 HydrophobicContact CZ-CD2 4.14Å; L466-L470 HydrophobicContact CD1-CD1 3.95Å; L466-L470 HydrophobicContact CD1-CG 4.14Å; L466-L470 HydrophobicContact CG-CD1 4.42Å; L466-L470 WeakPolarHBondContact O-CG 3.25Å; L466-L470 PolarHBondContact O-N 3.22Å; L466-L470 VanDerWaalsContact O-N 3.11Å; C467-L470 PolarHBondContact O-N 2.9Å; L470-K472 VanDerWaalsContact C-N 3.34Å; L470-K472 PolarHBondContact O-N 2.84Å; L470-V473 PolarHBondContact O-N 3.02Å; L470-Q474 WeakPolarHBondContact O-CB 3.3Å; L470-Q474 PolarHBondContact O-N 3.43Å; L470-F506 HydrophobicContact CD1-CD2 4.07Å; L470-F506 HydrophobicContact CD1-CE2 4.21Å; L470-F506 HydrophobicContact CD1-CG 4.3Å; L470-F506 HydrophobicContact CD2-CE2 4.23Å; L470-W530 HydrophobicContact CB-CH2 4.33Å; L470-W530 HydrophobicContact CB-CZ3 4.2Å; L470-W530 HydrophobicContact CD1-CE3 4.4Å; L470-W530 HydrophobicContact CD1-CZ3 4.15Å
471	D	87.8	Confident	84.9	Confident	71 Å²	71	34.4 Å²	34.4	38%	0.38	18%	0.178	S	C	.	.	H	α-helix	trans	-58.9	-46.4	174.2	-178.8	70.7	0	0	0	111	C467 Q474 Q475	C467-D471 WeakPolarHBondContact O-CB 3.49Å; C467-D471 PolarHBondContact O-N 3.28Å; D471-Q474 PolarHBondContact O-N 3.21Å; D471-Q475 WeakPolarHBondContact O-CB 3.26Å; D471-Q475 PolarHBondContact O-N 3.47Å
472	K	88.3	Confident	83.2	Confident	54 Å²	54	40.2 Å²	40.2	24%	0.235	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-39.8	179.5	-68.3	-77.4	166.7	-127.6	0	112.8	L419 I451 E468 L469 L470 Q474 Q475 E476	L419-K472 HydrophobicContact CD1-CB 3.67Å; I451-K472 HydrophobicContact CD1-CB 4.27Å; I451-K472 HydrophobicContact CD1-CG 3.97Å; I451-K472 HydrophobicContact CG1-CG 3.99Å; E468-K472 WeakPolarHBondContact O-CB 3.42Å; E468-K472 WeakPolarHBondContact O-CG 3.48Å; E468-K472 PolarHBondContact O-N 3.48Å; L469-K472 PolarHBondContact O-N 3.37Å; L470-K472 VanDerWaalsContact C-N 3.34Å; L470-K472 PolarHBondContact O-N 2.84Å; K472-Q474 VanDerWaalsContact C-N 3.35Å; K472-Q475 PolarHBondContact O-N 3.23Å; K472-E476 WeakPolarHBondContact O-CB 3.46Å; K472-E476 PolarHBondContact O-N 2.82Å
473	V	84.3	Confident	81	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-45	173	165.3	0	0	0	0	110.6	F352 L419 L423 L469 L470 E476 L477	F352-V473 HydrophobicContact CZ-CG1 3.82Å; L419-V473 HydrophobicContact CB-CG2 4.09Å; L423-V473 HydrophobicContact CD1-CG2 3.59Å; L469-V473 HydrophobicContact CD1-CG2 4.39Å; L469-V473 WeakPolarHBondContact O-CB 3.27Å; L469-V473 WeakPolarHBondContact O-CG2 3.43Å; L469-V473 PolarHBondContact O-N 3.42Å; L470-V473 PolarHBondContact O-N 3.02Å; V473-E476 PolarHBondContact O-N 3.27Å; V473-L477 HydrophobicContact CG1-CD1 4.03Å; V473-L477 VanDerWaalsContact O-CG 3.28Å; V473-L477 WeakPolarHBondContact O-CG 3.28Å; V473-L477 PolarHBondContact O-N 2.94Å
474	Q	81.8	Confident	79	Confident	27 Å²	27	46.4 Å²	46.4	13%	0.126	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-47.7	176.1	-177.8	178.8	-28.2	0	0	111.3	L470 D471 K472 E476 L477 E478 L499 N503	L470-Q474 WeakPolarHBondContact O-CB 3.3Å; L470-Q474 PolarHBondContact O-N 3.43Å; D471-Q474 PolarHBondContact O-N 3.21Å; K472-Q474 VanDerWaalsContact C-N 3.35Å; Q474-E476 VanDerWaalsContact C-N 3.3Å; Q474-E476 PolarHBondContact O-N 2.88Å; Q474-L477 PolarHBondContact O-N 3.06Å; Q474-E478 HydrophobicContact CG-CG 4.38Å; Q474-E478 PolarHBondContact NE2-OE1 2.86Å; Q474-E478 WeakPolarHBondContact O-CG 3.4Å; Q474-E478 PolarHBondContact O-N 3.04Å; Q474-L499 HydrophobicContact CG-CD1 3.82Å; Q474-N503 VanDerWaalsContact CD-OD1 3.26Å; Q474-N503 PolarHBondContact OE1-OD1 2.88Å
475	Q	83.4	Confident	76.8	Confident	85 Å²	85	49.3 Å²	49.3	40%	0.397	25%	0.251	S	S	.	.	H	α-helix	trans	-58.4	-42	178.5	-175	173.7	38.9	0	0	111.9	D471 K472 E478 N479	D471-Q475 WeakPolarHBondContact O-CB 3.26Å; D471-Q475 PolarHBondContact O-N 3.47Å; K472-Q475 PolarHBondContact O-N 3.23Å; Q475-E478 PolarHBondContact O-N 3.06Å; Q475-N479 WeakPolarHBondContact O-CB 3.26Å; Q475-N479 PolarHBondContact O-N 3.36Å; Q475-N479 PolarHBondContact O-ND2 3.32Å
476	E	81.3	Confident	74.5	Confident	33 Å²	33	55.7 Å²	55.7	15%	0.154	29%	0.29	C	S	.	.	H	α-helix	trans	-64	-44.4	177.5	-162.6	-174.1	135.5	0	0	111.8	S418 L419 K472 V473 Q474 N479 T480	S418-E476 WeakPolarHBondContact CA-OE1 3.47Å; S418-E476 WeakPolarHBondContact CB-OE1 3.36Å; S418-E476 PolarHBondContact OG-OE1 2.89Å; L419-E476 PolarHBondContact N-OE2 3.39Å; K472-E476 WeakPolarHBondContact O-CB 3.46Å; K472-E476 PolarHBondContact O-N 2.82Å; V473-E476 PolarHBondContact O-N 3.27Å; Q474-E476 VanDerWaalsContact C-N 3.3Å; Q474-E476 PolarHBondContact O-N 2.88Å; E476-N479 PolarHBondContact O-N 2.99Å; E476-T480 WeakPolarHBondContact O-CB 3.41Å; E476-T480 PolarHBondContact O-N 3.38Å; E476-T480 PolarHBondContact O-OG1 2.81Å
477	L	74.5	Confident	72.2	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-63.9	-41.4	175.8	-69.7	169.5	0	0	0	112.4	V473 Q474 G481 I495 V498 L499 V502	V473-L477 HydrophobicContact CG1-CD1 4.03Å; V473-L477 VanDerWaalsContact O-CG 3.28Å; V473-L477 WeakPolarHBondContact O-CG 3.28Å; V473-L477 PolarHBondContact O-N 2.94Å; Q474-L477 PolarHBondContact O-N 3.06Å; L477-G481 PolarHBondContact O-N 3.45Å; L477-G481 VanDerWaalsContact O-N 3.14Å; L477-I495 WeakPolarHBondContact O-CG2 3.41Å; L477-V498 HydrophobicContact CD1-CG1 3.83Å; L477-V498 HydrophobicContact CD2-CG1 3.83Å; L477-L499 HydrophobicContact CB-CB 4.42Å; L477-L499 HydrophobicContact CB-CD1 3.86Å; L477-V502 HydrophobicContact CD1-CG2 4.14Å
478	E	74.9	Confident	70.3	Confident	58 Å²	58	57.1 Å²	57.1	27%	0.271	31%	0.309	S	S	.	.	H	α-helix	trans	-64.6	-44.9	176.2	-74.6	-177.8	-169.1	0	0	112.4	Q474 Q475 T480 G481 K482 L499	Q474-E478 HydrophobicContact CG-CG 4.38Å; Q474-E478 PolarHBondContact NE2-OE1 2.86Å; Q474-E478 WeakPolarHBondContact O-CG 3.4Å; Q474-E478 PolarHBondContact O-N 3.04Å; Q475-E478 PolarHBondContact O-N 3.06Å; E478-T480 VanDerWaalsContact C-N 3.35Å; E478-G481 PolarHBondContact O-N 3.03Å; E478-K482 WeakPolarHBondContact O-CG 3.5Å; E478-K482 PolarHBondContact O-N 3.37Å; E478-K482 VanDerWaalsContact O-N 3.15Å; E478-K482 IonicContact OE2-NZ 3.9Å; E478-L499 HydrophobicContact CG-CD1 3.66Å; E478-L499 HydrophobicContact CG-CD2 3.7Å; E478-L499 HydrophobicContact CG-CG 4.33Å
479	N	72.4	Confident	68.3	Low	68 Å²	68	59.8 Å²	59.8	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-65.5	-39.7	-179.8	-72	-14.9	0	0	0	111.3	Q475 E476 G481 K482 H483	Q475-N479 WeakPolarHBondContact O-CB 3.26Å; Q475-N479 PolarHBondContact O-N 3.36Å; Q475-N479 PolarHBondContact O-ND2 3.32Å; E476-N479 PolarHBondContact O-N 2.99Å; N479-G481 VanDerWaalsContact C-N 3.26Å; N479-G481 PolarHBondContact O-N 3.37Å; N479-K482 PolarHBondContact O-N 3.04Å; N479-K482 VanDerWaalsContact O-N 3.12Å; N479-H483 PolarHBondContact O-CD2 3.32Å; N479-H483 VanDerWaalsContact O-CD2 3.26Å; N479-H483 PolarHBondContact O-N 3.08Å
480	T	63.3	Low	66.5	Low	45 Å²	45	64.7 Å²	64.7	28%	0.276	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-34.7	176	-50.1	0	0	0	0	111.2	E476 E478 T484 I495	E476-T480 WeakPolarHBondContact O-CB 3.41Å; E476-T480 PolarHBondContact O-N 3.38Å; E476-T480 PolarHBondContact O-OG1 2.81Å; E478-T480 VanDerWaalsContact C-N 3.35Å; T480-T484 WeakPolarHBondContact O-CG2 3.49Å; T480-T484 PolarHBondContact O-OG1 2.91Å; T480-I495 HydrophobicContact CG2-CD1 3.63Å
481	G	57.7	Low	64.8	Low	26 Å²	26	65.9 Å²	65.9	27%	0.268	37%	0.367	S	S	.	.	H	α-helix	trans	-69.5	-25.7	174.2	0	0	0	0	0	114.8	L477 E478 N479	L477-G481 PolarHBondContact O-N 3.45Å; L477-G481 VanDerWaalsContact O-N 3.14Å; E478-G481 PolarHBondContact O-N 3.03Å; N479-G481 VanDerWaalsContact C-N 3.26Å; N479-G481 PolarHBondContact O-N 3.37Å
482	K	57.1	Low	63.3	Low	136 Å²	136	65.4 Å²	65.4	59%	0.591	36%	0.362	S	S	*	.	H	α-helix	trans	-91.7	-35.5	-178.8	-69.2	169.4	-172.3	164.4	0	113.4	E478 N479	E478-K482 WeakPolarHBondContact O-CG 3.5Å; E478-K482 PolarHBondContact O-N 3.37Å; E478-K482 VanDerWaalsContact O-N 3.15Å; E478-K482 IonicContact OE2-NZ 3.9Å; N479-K482 PolarHBondContact O-N 3.04Å; N479-K482 VanDerWaalsContact O-N 3.12Å
483	H	48.8	Very low	61.9	Low	155 Å²	155	72 Å²	72	72%	0.718	39%	0.385	S	S	*	.	H	α-helix	trans	-88.9	-11.1	-173.6	-75.3	-68.9	0	0	0	115	N479 N485	N479-H483 PolarHBondContact O-CD2 3.32Å; N479-H483 VanDerWaalsContact O-CD2 3.26Å; N479-H483 PolarHBondContact O-N 3.08Å; H483-N485 PolarHBondContact O-N 2.78Å
484	T	51.1	Low	60.7	Low	15 Å²	15	74.6 Å²	74.6	9%	0.092	40%	0.399	C	S	.	.			trans	-82.9	90.5	173.3	50.2	0	0	0	0	108.9	T480 A487 K492	T480-T484 WeakPolarHBondContact O-CG2 3.49Å; T480-T484 PolarHBondContact O-OG1 2.91Å; T484-A487 HydrophobicContact CG2-CB 3.71Å; T484-K492 WeakPolarHBondContact O-CE 3.39Å; T484-K492 PolarHBondContact O-NZ 2.89Å
485	N	47.9	Very low	59.7	Low	146 Å²	146	74.1 Å²	74.1	78%	0.781	40%	0.397	S	S	*	.	S	Bend	trans	-90.6	-9.8	161	-86.5	-20.3	0	0	0	112	H483	H483-N485 PolarHBondContact O-N 2.78Å
486	T	47.5	Very low	58.7	Low	134 Å²	134	76.7 Å²	76.7	82%	0.822	41%	0.407	S	S	*	.	S	Bend	trans	-117.7	-3.9	-174.1	46.5	0	0	0	0	115.1
487	A	46.4	Very low	57.7	Low	22 Å²	22	80.6 Å²	80.6	18%	0.182	43%	0.425	C	S	.	.	S	Bend	trans	-79.9	144	175.8	0	0	0	0	0	111.8	T484	T484-A487 HydrophobicContact CG2-CB 3.71Å
488	G	53.4	Low	57.1	Low	43 Å²	43	80.4 Å²	80.4	44%	0.443	42%	0.424	S	S	.	.			trans	-54.7	146.5	-180	0	0	0	0	0	113.7	P490 Q491	G488-P490 VanDerWaalsContact C-N 3.29Å; G488-P490 WeakPolarHBondContact O-CD 3.31Å; G488-P490 VanDerWaalsContact O-N 3.12Å; G488-Q491 PolarHBondContact O-N 2.89Å; G488-Q491 VanDerWaalsContact O-N 3.1Å
489	V	51.6	Low	56.7	Low	128 Å²	128	79.2 Å²	79.2	78%	0.776	42%	0.419	S	S	*	.	H	α-helix	trans	-46.3	-37.3	-179.8	-178	0	0	0	0	114.8
490	P	54.5	Low	56.3	Low	104 Å²	104	79.1 Å²	79.1	68%	0.675	42%	0.424	S	S	*	.	H	α-helix	trans	-67	-36.5	179.6	-20.2	32.8	0	0	0	114.1	G488 R493 L494	G488-P490 VanDerWaalsContact C-N 3.29Å; G488-P490 WeakPolarHBondContact O-CD 3.31Å; G488-P490 VanDerWaalsContact O-N 3.12Å; P490-R493 PolarHBondContact O-N 3.13Å; P490-L494 PolarHBondContact O-N 3.09Å; P490-L494 VanDerWaalsContact O-N 3.11Å
491	Q	52.5	Low	56.4	Low	26 Å²	26	79 Å²	79	12%	0.121	42%	0.423	C	S	.	.	H	α-helix	trans	-76	-38.5	-171.3	-167.7	-175.8	-17.7	0	0	112.1	G488 R493 L494 I495	G488-Q491 PolarHBondContact O-N 2.89Å; G488-Q491 VanDerWaalsContact O-N 3.1Å; Q491-R493 VanDerWaalsContact C-N 3.27Å; Q491-R493 PolarHBondContact O-N 2.81Å; Q491-L494 PolarHBondContact O-N 2.87Å; Q491-I495 HydrophobicContact CG-CD1 4.23Å; Q491-I495 WeakPolarHBondContact O-CG1 3.24Å; Q491-I495 PolarHBondContact O-N 3.41Å
492	K	57.4	Low	57	Low	61 Å²	61	77.7 Å²	77.7	27%	0.265	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-36.9	171.6	-69.3	-176.6	-176.5	-168.9	0	112.2	T484 K496	T484-K492 WeakPolarHBondContact O-CE 3.39Å; T484-K492 PolarHBondContact O-NZ 2.89Å; K492-K496 WeakPolarHBondContact O-CB 3.28Å; K492-K496 WeakPolarHBondContact O-CG 3.48Å; K492-K496 PolarHBondContact O-N 2.91Å
493	R	57.3	Low	57.5	Low	191 Å²	191	73.4 Å²	73.4	72%	0.721	39%	0.394	S	S	*	.	H	α-helix	trans	-67.8	-43.1	178.5	-170.1	177.4	177.4	178.1	-0.9	110.8	P490 Q491 K496 Q497	P490-R493 PolarHBondContact O-N 3.13Å; Q491-R493 VanDerWaalsContact C-N 3.27Å; Q491-R493 PolarHBondContact O-N 2.81Å; R493-K496 PolarHBondContact O-N 3Å; R493-Q497 VanDerWaalsContact O-CB 3.27Å; R493-Q497 WeakPolarHBondContact O-CB 3.2Å; R493-Q497 PolarHBondContact O-N 3.02Å
494	L	59.2	Low	58.5	Low	56 Å²	56	69.9 Å²	69.9	29%	0.293	38%	0.383	S	S	.	.	H	α-helix	trans	-64.4	-45.6	177	-173.5	65.3	0	0	0	112.2	P490 Q491 K496 Q497 V498	P490-L494 PolarHBondContact O-N 3.09Å; P490-L494 VanDerWaalsContact O-N 3.11Å; Q491-L494 PolarHBondContact O-N 2.87Å; L494-K496 PolarHBondContact O-N 2.86Å; L494-Q497 WeakPolarHBondContact O-CB 3.47Å; L494-Q497 PolarHBondContact O-N 2.81Å; L494-Q497 VanDerWaalsContact O-N 3.14Å; L494-V498 HydrophobicContact CD1-CG2 4.49Å; L494-V498 HydrophobicContact CG-CG2 4.45Å; L494-V498 WeakPolarHBondContact O-CB 3.37Å; L494-V498 WeakPolarHBondContact O-CG2 3.46Å; L494-V498 PolarHBondContact O-N 2.86Å
495	I	61.6	Low	60	Low	16 Å²	16	69.2 Å²	69.2	8%	0.082	38%	0.379	C	S	.	.	H	α-helix	trans	-62.8	-43.7	178	-66.7	163	0	0	0	111	L477 T480 Q491 Q497 V498 L499	L477-I495 WeakPolarHBondContact O-CG2 3.41Å; T480-I495 HydrophobicContact CG2-CD1 3.63Å; Q491-I495 HydrophobicContact CG-CD1 4.23Å; Q491-I495 WeakPolarHBondContact O-CG1 3.24Å; Q491-I495 PolarHBondContact O-N 3.41Å; I495-Q497 VanDerWaalsContact C-N 3.3Å; I495-Q497 PolarHBondContact O-N 2.86Å; I495-V498 PolarHBondContact O-N 2.87Å; I495-L499 VanDerWaalsContact O-CB 3.3Å; I495-L499 WeakPolarHBondContact O-CB 3.46Å; I495-L499 PolarHBondContact O-N 2.78Å
496	K	63	Low	61.7	Low	140 Å²	140	62.2 Å²	62.2	61%	0.609	34%	0.342	S	S	*	.	H	α-helix	trans	-62.6	-37.9	173.8	-77.4	-176.6	178	-175.1	0	112.2	K492 R493 L494 S500	K492-K496 WeakPolarHBondContact O-CB 3.28Å; K492-K496 WeakPolarHBondContact O-CG 3.48Å; K492-K496 PolarHBondContact O-N 2.91Å; R493-K496 PolarHBondContact O-N 3Å; L494-K496 PolarHBondContact O-N 2.86Å; K496-S500 VanDerWaalsContact O-CB 3.23Å; K496-S500 WeakPolarHBondContact O-CB 3.43Å; K496-S500 PolarHBondContact O-N 3.08Å
497	Q	59	Low	63.5	Low	115 Å²	115	57.9 Å²	57.9	54%	0.537	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-42.6	177.6	-171.3	170.5	0.3	0	0	111.4	R493 L494 I495 S500 V501	R493-Q497 VanDerWaalsContact O-CB 3.27Å; R493-Q497 WeakPolarHBondContact O-CB 3.2Å; R493-Q497 PolarHBondContact O-N 3.02Å; L494-Q497 WeakPolarHBondContact O-CB 3.47Å; L494-Q497 PolarHBondContact O-N 2.81Å; L494-Q497 VanDerWaalsContact O-N 3.14Å; I495-Q497 VanDerWaalsContact C-N 3.3Å; I495-Q497 PolarHBondContact O-N 2.86Å; Q497-S500 WeakPolarHBondContact O-CB 3.39Å; Q497-S500 PolarHBondContact O-N 2.87Å; Q497-V501 WeakPolarHBondContact O-CB 3.41Å; Q497-V501 WeakPolarHBondContact O-CG2 3.38Å; Q497-V501 PolarHBondContact O-N 2.88Å
498	V	61.8	Low	65.5	Low	4 Å²	4	56.9 Å²	56.9	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-47.4	175.8	166.4	0	0	0	0	111.1	L355 L477 L494 I495 S500 V501 V502	L355-V498 HydrophobicContact CD1-CB 4.45Å; L355-V498 HydrophobicContact CD1-CG1 3.6Å; L355-V498 HydrophobicContact CD1-CG2 4.03Å; L355-V498 HydrophobicContact CD2-CB 4.21Å; L355-V498 HydrophobicContact CD2-CG1 4.03Å; L355-V498 HydrophobicContact CD2-CG2 3.56Å; L355-V498 HydrophobicContact CG-CB 4.42Å; L355-V498 HydrophobicContact CG-CG1 4.07Å; L355-V498 HydrophobicContact CG-CG2 3.56Å; L477-V498 HydrophobicContact CD1-CG1 3.83Å; L477-V498 HydrophobicContact CD2-CG1 3.83Å; L494-V498 HydrophobicContact CD1-CG2 4.49Å; L494-V498 HydrophobicContact CG-CG2 4.45Å; L494-V498 WeakPolarHBondContact O-CB 3.37Å; L494-V498 WeakPolarHBondContact O-CG2 3.46Å; L494-V498 PolarHBondContact O-N 2.86Å; I495-V498 PolarHBondContact O-N 2.87Å; V498-S500 VanDerWaalsContact C-N 3.3Å; V498-S500 PolarHBondContact O-N 3.4Å; V498-V501 CarbonylContact O-C 3.57Å; V498-V501 WeakPolarHBondContact O-CB 3.34Å; V498-V501 PolarHBondContact O-N 3.49Å; V498-V501 VanDerWaalsContact O-N 3.08Å; V498-V502 WeakPolarHBondContact O-CG2 3.37Å; V498-V502 PolarHBondContact O-N 2.95Å
499	L	66.7	Low	67.3	Low	32 Å²	32	58 Å²	58	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-43.5	175.2	-178.6	69.8	0	0	0	111.1	Q474 L477 E478 I495 V501 V502 N503	Q474-L499 HydrophobicContact CG-CD1 3.82Å; L477-L499 HydrophobicContact CB-CB 4.42Å; L477-L499 HydrophobicContact CB-CD1 3.86Å; E478-L499 HydrophobicContact CG-CD1 3.66Å; E478-L499 HydrophobicContact CG-CD2 3.7Å; E478-L499 HydrophobicContact CG-CG 4.33Å; I495-L499 VanDerWaalsContact O-CB 3.3Å; I495-L499 WeakPolarHBondContact O-CB 3.46Å; I495-L499 PolarHBondContact O-N 2.78Å; L499-V501 VanDerWaalsContact C-N 3.3Å; L499-V501 PolarHBondContact O-N 3.16Å; L499-V502 PolarHBondContact O-N 3.18Å; L499-N503 VanDerWaalsContact O-CB 3.3Å; L499-N503 WeakPolarHBondContact O-CB 3.3Å; L499-N503 PolarHBondContact O-N 3.06Å; L499-N503 PolarHBondContact O-ND2 3.36Å
500	S	64.5	Low	69.4	Low	67 Å²	67	52.8 Å²	52.8	47%	0.469	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-40.2	173.9	-173.8	0	0	0	0	111.5	K496 Q497 V498 T504	K496-S500 VanDerWaalsContact O-CB 3.23Å; K496-S500 WeakPolarHBondContact O-CB 3.43Å; K496-S500 PolarHBondContact O-N 3.08Å; Q497-S500 WeakPolarHBondContact O-CB 3.39Å; Q497-S500 PolarHBondContact O-N 2.87Å; V498-S500 VanDerWaalsContact C-N 3.3Å; V498-S500 PolarHBondContact O-N 3.4Å; S500-T504 WeakPolarHBondContact O-CB 3.22Å; S500-T504 PolarHBondContact O-N 2.76Å; S500-T504 PolarHBondContact O-OG1 3.12Å
501	V	65.8	Low	71.4	Confident	41 Å²	41	48.5 Å²	48.5	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-50.3	178.2	166.8	0	0	0	0	110.8	V347 C351 Q497 V498 L499 N503 T504 I505	V347-V501 HydrophobicContact CG1-CG1 4.05Å; C351-V501 HydrophobicContact CB-CG1 4.05Å; Q497-V501 WeakPolarHBondContact O-CB 3.41Å; Q497-V501 WeakPolarHBondContact O-CG2 3.38Å; Q497-V501 PolarHBondContact O-N 2.88Å; V498-V501 CarbonylContact O-C 3.57Å; V498-V501 WeakPolarHBondContact O-CB 3.34Å; V498-V501 PolarHBondContact O-N 3.49Å; V498-V501 VanDerWaalsContact O-N 3.08Å; L499-V501 VanDerWaalsContact C-N 3.3Å; L499-V501 PolarHBondContact O-N 3.16Å; V501-N503 VanDerWaalsContact C-N 3.27Å; V501-N503 PolarHBondContact O-N 3.4Å; V501-T504 CarbonylContact O-C 3.55Å; V501-T504 PolarHBondContact O-N 2.71Å; V501-I505 HydrophobicContact CG1-CD1 3.42Å; V501-I505 VanDerWaalsContact CG1-CD1 3.42Å; V501-I505 HydrophobicContact CG1-CG1 4.01Å; V501-I505 WeakPolarHBondContact O-CB 3.42Å; V501-I505 WeakPolarHBondContact O-CG1 3.16Å; V501-I505 PolarHBondContact O-N 3.41Å
502	V	68.9	Low	73.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.1	-44.2	176.1	173.7	0	0	0	0	110.8	F348 F352 L477 V498 L499 T504 I505	F348-V502 HydrophobicContact CE2-CG2 4.29Å; F352-V502 HydrophobicContact CE2-CG2 4.5Å; L477-V502 HydrophobicContact CD1-CG2 4.14Å; V498-V502 WeakPolarHBondContact O-CG2 3.37Å; V498-V502 PolarHBondContact O-N 2.95Å; L499-V502 PolarHBondContact O-N 3.18Å; V502-T504 PolarHBondContact O-N 3.25Å; V502-I505 PolarHBondContact O-N 3.41Å
503	N	69.1	Low	75.2	Confident	45 Å²	45	46 Å²	46	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-65.7	-38.4	176.8	-71.1	-11.2	0	0	0	112	Q474 L499 V501 H507	Q474-N503 VanDerWaalsContact CD-OD1 3.26Å; Q474-N503 PolarHBondContact OE1-OD1 2.88Å; L499-N503 VanDerWaalsContact O-CB 3.3Å; L499-N503 WeakPolarHBondContact O-CB 3.3Å; L499-N503 PolarHBondContact O-N 3.06Å; L499-N503 PolarHBondContact O-ND2 3.36Å; V501-N503 VanDerWaalsContact C-N 3.27Å; V501-N503 PolarHBondContact O-N 3.4Å; N503-H507 WeakPolarHBondContact CA-ND1 3.27Å; N503-H507 WeakPolarHBondContact O-CB 3.32Å; N503-H507 PolarHBondContact O-N 2.87Å; N503-H507 PolarHBondContact O-ND1 3.18Å; N503-H507 PolarHBondContact OD1-CE1 3.07Å
504	T	69.9	Low	77	Confident	81 Å²	81	38 Å²	38	50%	0.497	20%	0.199	S	C	.	.	H	α-helix	trans	-75.7	-30.5	-179.5	-55.9	0	0	0	0	112.8	S500 V501 V502	S500-T504 WeakPolarHBondContact O-CB 3.22Å; S500-T504 PolarHBondContact O-N 2.76Å; S500-T504 PolarHBondContact O-OG1 3.12Å; V501-T504 CarbonylContact O-C 3.55Å; V501-T504 PolarHBondContact O-N 2.71Å; V502-T504 PolarHBondContact O-N 3.25Å
505	I	81.9	Confident	78.7	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-52.4	-177.2	-71.3	164.8	0	0	0	110.4	V347 F348 V501 V502 Q606 V607	V347-I505 HydrophobicContact CB-CD1 4.05Å; V347-I505 HydrophobicContact CB-CG1 4.3Å; V347-I505 HydrophobicContact CG1-CD1 3.78Å; V347-I505 HydrophobicContact CG1-CG1 3.96Å; F348-I505 HydrophobicContact CB-CD1 4.16Å; F348-I505 HydrophobicContact CD2-CD1 4.33Å; V501-I505 HydrophobicContact CG1-CD1 3.42Å; V501-I505 VanDerWaalsContact CG1-CD1 3.42Å; V501-I505 HydrophobicContact CG1-CG1 4.01Å; V501-I505 WeakPolarHBondContact O-CB 3.42Å; V501-I505 WeakPolarHBondContact O-CG1 3.16Å; V501-I505 PolarHBondContact O-N 3.41Å; V502-I505 PolarHBondContact O-N 3.41Å; I505-Q606 PolarHBondContact O-N 2.77Å; I505-Q606 VanDerWaalsContact O-N 3.16Å; I505-V607 HydrophobicContact CG2-CB 3.8Å; I505-V607 HydrophobicContact CG2-CG2 3.57Å; I505-V607 PolarHBondContact O-N 2.96Å
506	F	83.8	Confident	80.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-107.8	-11.1	-166.7	-60.8	-71.4	0	0	0	115.2	L342 L345 F348 L470 W530 V607 R609	L342-F506 HydrophobicContact CD2-CZ 3.99Å; L345-F506 HydrophobicContact CD1-CE1 3.65Å; L345-F506 HydrophobicContact CD1-CZ 3.63Å; F348-F506 AromaticContact CD2-CE2 3.57Å; F348-F506 HydrophobicContact CD2-CE2 3.57Å; F348-F506 HydrophobicContact CD2-CZ 4.08Å; F348-F506 AromaticContact CE2-CE2 3.88Å; F348-F506 HydrophobicContact CE2-CE2 3.88Å; F348-F506 HydrophobicContact CG-CE2 4.34Å; F348-F506 HydrophobicContact CG-CZ 4.42Å; L470-F506 HydrophobicContact CD1-CD2 4.07Å; L470-F506 HydrophobicContact CD1-CE2 4.21Å; L470-F506 HydrophobicContact CD1-CG 4.3Å; L470-F506 HydrophobicContact CD2-CE2 4.23Å; F506-W530 HydrophobicContact CB-CE3 3.66Å; F506-W530 HydrophobicContact CB-CZ3 3.79Å; F506-W530 HydrophobicContact CD2-CZ3 4.47Å; F506-V607 HydrophobicContact CD1-CB 4.04Å; F506-V607 HydrophobicContact CD1-CG1 4.12Å; F506-V607 HydrophobicContact CE1-CB 4Å; F506-V607 HydrophobicContact CE1-CG1 3.81Å; F506-R609 HydrophobicContact CD1-CG 4.39Å
507	H	84.3	Confident	81.7	Confident	42 Å²	42	32.9 Å²	32.9	19%	0.194	18%	0.179	C	C	.	.			trans	-88.5	123.3	-178.1	-68.3	72	0	0	0	112.3	N503 W530	N503-H507 WeakPolarHBondContact CA-ND1 3.27Å; N503-H507 WeakPolarHBondContact O-CB 3.32Å; N503-H507 PolarHBondContact O-N 2.87Å; N503-H507 PolarHBondContact O-ND1 3.18Å; N503-H507 PolarHBondContact OD1-CE1 3.07Å; H507-W530 AromaticContact CE1-CE2 3.6Å; H507-W530 AromaticContact CE1-CE3 3.94Å; H507-W530 AromaticContact CE1-CH2 3.14Å; H507-W530 WeakPolarHBondContact CE1-CH2 3.24Å; H507-W530 AromaticContact CE1-CZ2 3.17Å; H507-W530 WeakPolarHBondContact CE1-CZ2 3.37Å; H507-W530 AromaticContact CE1-CZ3 3.52Å; H507-W530 AromaticContact ND1-CH2 3.91Å; H507-W530 AromaticContact ND1-CZ3 3.83Å; H507-W530 AromaticContact NE2-CE2 3.45Å; H507-W530 AromaticContact NE2-CH2 3.83Å; H507-W530 AromaticContact NE2-CZ2 3.34Å; H507-W530 VanDerWaalsContact NE2-CZ2 3.34Å; H507-W530 WeakPolarHBondContact NE2-CZ2 3.4Å; H507-W530 AromaticContact NE2-NE1 3.82Å
508	G	89.2	Confident	83.3	Confident	1 Å²	1	31 Å²	31	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-179.4	162	0	0	0	0	0	111.5	P528 F529 K603	G508-P528 WeakPolarHBondContact O-CA 3.49Å; G508-F529 VanDerWaalsContact C-CE1 3.41Å; G508-F529 VanDerWaalsContact CA-CE1 3.42Å; G508-F529 PolarHBondContact N-O 2.85Å; G508-F529 PolarHBondContact O-N 3.42Å; G508-K603 CarbonylContact C-O 3.6Å; G508-K603 WeakPolarHBondContact CA-O 3.44Å
509	Q	92.3	Very high	84.7	Confident	67 Å²	67	33.3 Å²	33.3	31%	0.313	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.7	171.4	-61.1	178.1	-54.4	0	0	109.8	V526 E527 F529 Y602 K603	Q509-V526 HydrophobicContact CB-CG1 3.83Å; Q509-V526 HydrophobicContact CG-CG1 4.27Å; Q509-E527 CarbonylContact C-O 3.57Å; Q509-E527 WeakPolarHBondContact CA-O 3.17Å; Q509-F529 VanDerWaalsContact N-CE1 3.31Å; Q509-Y602 HydrophobicContact CB-CD1 4.1Å; Q509-Y602 WeakPolarHBondContact O-CA 3.2Å; Q509-Y602 WeakPolarHBondContact O-CB 3.39Å; Q509-Y602 PolarHBondContact O-N 2.79Å; Q509-K603 HydrophobicContact CB-CB 3.81Å; Q509-K603 HydrophobicContact CG-CB 4.03Å; Q509-K603 HydrophobicContact CG-CD 4.43Å; Q509-K603 PolarHBondContact N-O 2.87Å; Q509-K603 PolarHBondContact O-N 2.87Å
510	L	94.8	Very high	86	Confident	18 Å²	18	36.1 Å²	36.1	9%	0.094	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.8	170	-70.1	171.2	0	0	0	109.6	V526 E527 F529 L532 F562 M600 V601	L510-V526 CarbonylContact O-C 3.52Å; L510-V526 VanDerWaalsContact O-CA 3.31Å; L510-V526 WeakPolarHBondContact O-CA 3.35Å; L510-E527 PolarHBondContact N-O 2.99Å; L510-E527 PolarHBondContact O-N 3.3Å; L510-F529 HydrophobicContact CB-CD1 4.49Å; L510-F529 HydrophobicContact CD1-CB 4.23Å; L510-F529 HydrophobicContact CD1-CD1 4.3Å; L510-F529 HydrophobicContact CD1-CG 4.44Å; L510-F529 HydrophobicContact CD2-CD1 4.17Å; L510-F529 HydrophobicContact CD2-CE1 4.2Å; L510-F529 HydrophobicContact CG-CB 4.39Å; L510-F529 HydrophobicContact CG-CD1 3.6Å; L510-F529 HydrophobicContact CG-CE1 4.12Å; L510-F529 HydrophobicContact CG-CG 4.2Å; L510-L532 HydrophobicContact CD1-CD2 4.36Å; L510-L532 HydrophobicContact CD2-CD2 3.95Å; L510-L532 HydrophobicContact CG-CD2 4.47Å; L510-F562 HydrophobicContact CD1-CE1 4.45Å; L510-F562 HydrophobicContact CD1-CZ 3.99Å; L510-F562 HydrophobicContact CD2-CE1 3.86Å; L510-F562 HydrophobicContact CD2-CZ 4.22Å; L510-M600 CarbonylContact C-O 3.47Å; L510-M600 WeakPolarHBondContact CA-O 3.25Å; L510-V601 HydrophobicContact CD2-CG2 4.24Å
511	L	95.7	Very high	87.3	Confident	15 Å²	15	36 Å²	36	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	111.1	166.8	178.1	65.6	0	0	0	108.2	N524 V526 L599 M600	L511-N524 HydrophobicContact CD1-CB 3.74Å; L511-V526 HydrophobicContact CD1-CG2 4.16Å; L511-L599 WeakPolarHBondContact O-CA 3.25Å; L511-M600 HydrophobicContact CB-CB 4.47Å; L511-M600 HydrophobicContact CD2-CE 3.84Å; L511-M600 HydrophobicContact CG-CE 4.3Å; L511-M600 PolarHBondContact N-O 2.94Å; L511-M600 PolarHBondContact O-N 2.92Å
512	S	95.4	Very high	88.6	Confident	10 Å²	10	41.6 Å²	41.6	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	107.5	168.1	179.3	0	0	0	0	108.8	N524 T525 K597	S512-N524 CarbonylContact O-C 3.48Å; S512-N524 WeakPolarHBondContact O-CA 3.35Å; S512-T525 PolarHBondContact N-O 3.38Å; S512-T525 PolarHBondContact O-N 3.39Å; S512-K597 WeakPolarHBondContact OG-CE 3.29Å
513	Q	95.1	Very high	89.8	Confident	25 Å²	25	43.2 Å²	43.2	12%	0.117	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.9	178	179	167.3	110.9	0	0	110.1	R522 S523 N524 K597 Q598 M600	Q513-R522 HydrophobicContact CG-CB 4.45Å; Q513-S523 CarbonylContact C-O 3.59Å; Q513-S523 WeakPolarHBondContact CA-O 3.4Å; Q513-N524 WeakPolarHBondContact CG-OD1 3.35Å; Q513-N524 PolarHBondContact NE2-OD1 3.31Å; Q513-K597 CarbonylContact O-C 3.51Å; Q513-K597 VanDerWaalsContact O-CA 3.3Å; Q513-K597 WeakPolarHBondContact O-CA 3.48Å; Q513-Q598 PolarHBondContact N-O 2.82Å; Q513-Q598 PolarHBondContact O-N 3.22Å; Q513-M600 HydrophobicContact CB-CE 3.93Å
514	V	95.6	Very high	91	Very high	21 Å²	21	45.3 Å²	45.3	13%	0.127	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.1	172.2	-176.9	0	0	0	0	108.8	R522 S523 L568 Y573 A595 K596 K597	V514-R522 WeakPolarHBondContact O-CA 3.46Å; V514-S523 PolarHBondContact N-O 2.95Å; V514-S523 PolarHBondContact O-N 2.93Å; V514-L568 HydrophobicContact CG1-CD1 4.18Å; V514-Y573 HydrophobicContact CB-CE2 4.38Å; V514-Y573 HydrophobicContact CG1-CD1 4.15Å; V514-Y573 HydrophobicContact CG1-CD2 3.84Å; V514-Y573 HydrophobicContact CG1-CE1 4.01Å; V514-Y573 HydrophobicContact CG1-CE2 3.72Å; V514-Y573 HydrophobicContact CG1-CG 4.06Å; V514-A595 HydrophobicContact CG1-CB 3.75Å; V514-K596 CarbonylContact C-O 3.45Å; V514-K596 WeakPolarHBondContact CA-O 3.39Å; V514-K597 HydrophobicContact CG2-CB 4.48Å; V514-K597 HydrophobicContact CG2-CG 4.21Å
515	T	95.1	Very high	92.1	Very high	15 Å²	15	44.8 Å²	44.8	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.7	176.7	-54.8	0	0	0	0	109.6	H521 R522 A595 K596	T515-H521 WeakPolarHBondContact CA-O 3.36Å; T515-R522 HydrophobicContact CG2-CG 4.19Å; T515-A595 CarbonylContact O-C 3.6Å; T515-A595 VanDerWaalsContact O-CA 3.23Å; T515-A595 WeakPolarHBondContact O-CA 3.48Å; T515-A595 WeakPolarHBondContact O-CB 3.44Å; T515-K596 PolarHBondContact N-O 3.21Å; T515-K596 PolarHBondContact O-N 2.86Å
516	C	94.6	Very high	92.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.8	173.7	-178.3	0	0	0	0	110.4	A518 S520 H521 Y573 C575 T593	C516-A518 PolarHBondContact SG-N 3.36Å; C516-S520 WeakPolarHBondContact O-CA 3.43Å; C516-S520 PolarHBondContact O-N 3.11Å; C516-H521 PolarHBondContact N-O 2.65Å; C516-Y573 HydrophobicContact CB-CD1 4.36Å; C516-Y573 HydrophobicContact CB-CE1 4.06Å; C516-C575 HydrophobicContact CB-CB 4.17Å; C516-T593 PolarHBondContact SG-OG1 2.81Å; C516-T593 VanDerWaalsContact SG-OG1 3.39Å
517	L	93.3	Very high	93.1	Very high	91 Å²	91	52.5 Å²	52.5	48%	0.476	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-19.2	178.5	-61.1	-176.2	0	0	0	113	E594 K596	L517-E594 HydrophobicContact CB-CB 4.39Å; L517-E594 HydrophobicContact CD1-CB 3.92Å; L517-E594 HydrophobicContact CG-CB 4.43Å; L517-E594 PolarHBondContact N-O 2.47Å; L517-K596 HydrophobicContact CD2-CD 4.13Å; L517-K596 HydrophobicContact CD2-CG 4.17Å
518	A	91.1	Very high	93.4	Very high	74 Å²	74	55.3 Å²	55.3	61%	0.612	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-40.3	179.5	0	0	0	0	0	113.3	C516 T593	C516-A518 PolarHBondContact SG-N 3.36Å; A518-T593 HydrophobicContact CB-CG2 4.01Å
519	C	91.8	Very high	93.5	Very high	54 Å²	54	55.8 Å²	55.8	37%	0.365	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	1.8	-176	70.8	0	0	0	0	114.4	H521 C578	C519-H521 PolarHBondContact O-N 3.38Å; C519-H521 WeakPolarHBondContact SG-CB 3.4Å; C519-C578 PolarHBondContact SG-SG 2.78Å
520	S	93.3	Very high	93.3	Very high	90 Å²	90	55.6 Å²	55.6	63%	0.629	31%	0.31	S	S	*	.			trans	59.2	10.7	-176.5	-59.9	0	0	0	0	115.7	C516	C516-S520 WeakPolarHBondContact O-CA 3.43Å; C516-S520 PolarHBondContact O-N 3.11Å
521	H	92.4	Very high	93.2	Very high	65 Å²	65	56.1 Å²	56.1	30%	0.301	31%	0.313	S	S	.	.			trans	-66.2	135.3	175.4	-175.4	67.7	0	0	0	110.9	T515 C516 C519 Q577	T515-H521 WeakPolarHBondContact CA-O 3.36Å; C516-H521 PolarHBondContact N-O 2.65Å; C519-H521 PolarHBondContact O-N 3.38Å; C519-H521 WeakPolarHBondContact SG-CB 3.4Å; H521-Q577 HydrophobicContact CB-CB 4.34Å; H521-Q577 HydrophobicContact CB-CG 3.91Å; H521-Q577 VanDerWaalsContact CG-CG 3.42Å
522	R	93.3	Very high	93.2	Very high	158 Å²	158	55.5 Å²	55.5	60%	0.596	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.7	178.4	-60.5	-177	-177.5	-178	1.3	109.8	Q513 V514 T515	Q513-R522 HydrophobicContact CG-CB 4.45Å; V514-R522 WeakPolarHBondContact O-CA 3.46Å; T515-R522 HydrophobicContact CG2-CG 4.19Å
523	S	93.4	Very high	93.2	Very high	35 Å²	35	56.4 Å²	56.4	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.8	170.5	-176.9	0	0	0	0	108.8	Q513 V514 Y573	Q513-S523 CarbonylContact C-O 3.59Å; Q513-S523 WeakPolarHBondContact CA-O 3.4Å; V514-S523 PolarHBondContact N-O 2.95Å; V514-S523 PolarHBondContact O-N 2.93Å; S523-Y573 WeakPolarHBondContact CB-OH 3.4Å
524	N	94.1	Very high	93.3	Very high	88 Å²	88	55.2 Å²	55.2	47%	0.471	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.1	-176.8	-75.4	-18	0	0	0	109.2	L511 S512 Q513	L511-N524 HydrophobicContact CD1-CB 3.74Å; S512-N524 CarbonylContact O-C 3.48Å; S512-N524 WeakPolarHBondContact O-CA 3.35Å; Q513-N524 WeakPolarHBondContact CG-OD1 3.35Å; Q513-N524 PolarHBondContact NE2-OD1 3.31Å
525	T	94.4	Very high	93.2	Very high	70 Å²	70	59.1 Å²	59.1	43%	0.429	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.9	172.6	-56.2	0	0	0	0	108.8	S512 E527	S512-T525 PolarHBondContact N-O 3.38Å; S512-T525 PolarHBondContact O-N 3.39Å; T525-E527 HydrophobicContact CG2-CG 4.11Å
526	V	94.6	Very high	93	Very high	66 Å²	66	58.5 Å²	58.5	40%	0.4	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	122.5	178.4	-178.9	0	0	0	0	108.9	Q509 L510 L511 Y602	Q509-V526 HydrophobicContact CB-CG1 3.83Å; Q509-V526 HydrophobicContact CG-CG1 4.27Å; L510-V526 CarbonylContact O-C 3.52Å; L510-V526 VanDerWaalsContact O-CA 3.31Å; L510-V526 WeakPolarHBondContact O-CA 3.35Å; L511-V526 HydrophobicContact CD1-CG2 4.16Å; V526-Y602 HydrophobicContact CG1-CD1 4.01Å; V526-Y602 HydrophobicContact CG2-CD1 4.49Å
527	E	91.4	Very high	92.8	Very high	97 Å²	97	58.8 Å²	58.8	45%	0.453	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.2	-176.5	-64.1	-179.8	169.6	0	0	110	Q509 L510 T525	Q509-E527 CarbonylContact C-O 3.57Å; Q509-E527 WeakPolarHBondContact CA-O 3.17Å; L510-E527 PolarHBondContact N-O 2.99Å; L510-E527 PolarHBondContact O-N 3.3Å; T525-E527 HydrophobicContact CG2-CG 4.11Å
528	P	91.4	Very high	92.5	Very high	101 Å²	101	61.9 Å²	61.9	66%	0.656	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	147.7	175.2	30.4	-33.9	0	0	0	110.7	G508	G508-P528 WeakPolarHBondContact O-CA 3.49Å
529	F	90.8	Very high	92.2	Very high	12 Å²	12	62.9 Å²	62.9	5%	0.053	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.2	172.7	76.8	-90.5	0	0	0	112	G508 Q509 L510 L532 V601 P605 L608	G508-F529 VanDerWaalsContact C-CE1 3.41Å; G508-F529 VanDerWaalsContact CA-CE1 3.42Å; G508-F529 PolarHBondContact N-O 2.85Å; G508-F529 PolarHBondContact O-N 3.42Å; Q509-F529 VanDerWaalsContact N-CE1 3.31Å; L510-F529 HydrophobicContact CB-CD1 4.49Å; L510-F529 HydrophobicContact CD1-CB 4.23Å; L510-F529 HydrophobicContact CD1-CD1 4.3Å; L510-F529 HydrophobicContact CD1-CG 4.44Å; L510-F529 HydrophobicContact CD2-CD1 4.17Å; L510-F529 HydrophobicContact CD2-CE1 4.2Å; L510-F529 HydrophobicContact CG-CB 4.39Å; L510-F529 HydrophobicContact CG-CD1 3.6Å; L510-F529 HydrophobicContact CG-CE1 4.12Å; L510-F529 HydrophobicContact CG-CG 4.2Å; F529-L532 HydrophobicContact CD1-CD2 4.36Å; F529-L532 HydrophobicContact CD2-CD2 3.62Å; F529-L532 HydrophobicContact CD2-CG 4.1Å; F529-L532 HydrophobicContact CE1-CD2 4.24Å; F529-L532 HydrophobicContact CE2-CD1 4.42Å; F529-L532 HydrophobicContact CE2-CD2 3.55Å; F529-L532 HydrophobicContact CE2-CG 3.69Å; F529-L532 HydrophobicContact CG-CD2 4.03Å; F529-L532 HydrophobicContact CZ-CD2 3.85Å; F529-L532 HydrophobicContact CZ-CG 4.18Å; F529-V601 HydrophobicContact CE1-CG1 4.35Å; F529-V601 HydrophobicContact CZ-CG1 4.46Å; F529-P605 HydrophobicContact CE2-CG 4.39Å; F529-P605 HydrophobicContact CZ-CG 4.38Å; F529-L608 HydrophobicContact CE2-CD1 4.21Å; F529-L608 HydrophobicContact CZ-CD1 4.44Å
530	W	87.1	Confident	91.8	Very high	62 Å²	62	61.1 Å²	61.1	24%	0.235	31%	0.311	C	S	.	.	S	Bend	trans	-103.4	-41.6	178.8	-83.7	107.2	0	0	0	111.2	L470 F506 H507 R609	L470-W530 HydrophobicContact CB-CH2 4.33Å; L470-W530 HydrophobicContact CB-CZ3 4.2Å; L470-W530 HydrophobicContact CD1-CE3 4.4Å; L470-W530 HydrophobicContact CD1-CZ3 4.15Å; F506-W530 HydrophobicContact CB-CE3 3.66Å; F506-W530 HydrophobicContact CB-CZ3 3.79Å; F506-W530 HydrophobicContact CD2-CZ3 4.47Å; H507-W530 AromaticContact CE1-CE2 3.6Å; H507-W530 AromaticContact CE1-CE3 3.94Å; H507-W530 AromaticContact CE1-CH2 3.14Å; H507-W530 WeakPolarHBondContact CE1-CH2 3.24Å; H507-W530 AromaticContact CE1-CZ2 3.17Å; H507-W530 WeakPolarHBondContact CE1-CZ2 3.37Å; H507-W530 AromaticContact CE1-CZ3 3.52Å; H507-W530 AromaticContact ND1-CH2 3.91Å; H507-W530 AromaticContact ND1-CZ3 3.83Å; H507-W530 AromaticContact NE2-CE2 3.45Å; H507-W530 AromaticContact NE2-CH2 3.83Å; H507-W530 AromaticContact NE2-CZ2 3.34Å; H507-W530 VanDerWaalsContact NE2-CZ2 3.34Å; H507-W530 WeakPolarHBondContact NE2-CZ2 3.4Å; H507-W530 AromaticContact NE2-NE1 3.82Å; W530-R609 PolarHBondContact O-NE 2.96Å; W530-R609 PolarHBondContact O-NH2 2.9Å
531	D	92.9	Very high	91.1	Very high	30 Å²	30	60.1 Å²	60.1	16%	0.16	30%	0.296	C	S	.	.			trans	-137.4	154.1	175.1	66.2	-88.4	0	0	0	110.4	Q463 S533 R609	Q463-D531 PolarHBondContact NE2-OD1 2.96Å; D531-S533 PolarHBondContact OD2-OG 2.98Å; D531-R609 WeakPolarHBondContact CA-O 3.47Å; D531-R609 HydrophobicContact CB-CB 4.05Å
532	L	95.7	Very high	89.8	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	104.6	165.5	-58.4	-179.4	0	0	0	107.8	L510 F529 L534 L559 F562 V601 L608 R609 L610 H611 M638	L510-L532 HydrophobicContact CD1-CD2 4.36Å; L510-L532 HydrophobicContact CD2-CD2 3.95Å; L510-L532 HydrophobicContact CG-CD2 4.47Å; F529-L532 HydrophobicContact CD1-CD2 4.36Å; F529-L532 HydrophobicContact CD2-CD2 3.62Å; F529-L532 HydrophobicContact CD2-CG 4.1Å; F529-L532 HydrophobicContact CE1-CD2 4.24Å; F529-L532 HydrophobicContact CE2-CD1 4.42Å; F529-L532 HydrophobicContact CE2-CD2 3.55Å; F529-L532 HydrophobicContact CE2-CG 3.69Å; F529-L532 HydrophobicContact CG-CD2 4.03Å; F529-L532 HydrophobicContact CZ-CD2 3.85Å; F529-L532 HydrophobicContact CZ-CG 4.18Å; L532-L534 HydrophobicContact CB-CD2 4.08Å; L532-L534 PolarHBondContact O-N 2.91Å; L532-L559 HydrophobicContact CD1-CD2 4.33Å; L532-F562 HydrophobicContact CD2-CE1 4Å; L532-F562 HydrophobicContact CD2-CZ 3.92Å; L532-V601 HydrophobicContact CD1-CG2 4.31Å; L532-L608 HydrophobicContact CD1-CD1 4.03Å; L532-L608 HydrophobicContact CG-CD1 4.35Å; L532-R609 PolarHBondContact N-O 3.45Å; L532-L610 HydrophobicContact CB-CD2 3.81Å; L532-L610 HydrophobicContact CD1-CD2 3.88Å; L532-L610 HydrophobicContact CG-CD2 4.22Å; L532-H611 PolarHBondContact O-N 2.98Å; L532-M638 HydrophobicContact CD1-CE 4.28Å
533	S	96.2	Very high	88.1	Confident	29 Å²	29	58.3 Å²	58.3	20%	0.203	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	98.4	175.7	-79	0	0	0	0	110.2	D531 H611 K613	D531-S533 PolarHBondContact OD2-OG 2.98Å; S533-H611 CarbonylContact C-O 3.57Å; S533-H611 WeakPolarHBondContact CA-O 3.33Å; S533-H611 PolarHBondContact OG-ND1 3.27Å; S533-K613 VanDerWaalsContact CB-CE 3.46Å; S533-K613 WeakPolarHBondContact O-CE 3.44Å
534	L	96.4	Very high	86.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130	-172.7	-53.7	-178.2	0	0	0	112.1	L532 L555 M558 L559 F562 L610 H611 L612 K613	L532-L534 HydrophobicContact CB-CD2 4.08Å; L532-L534 PolarHBondContact O-N 2.91Å; L534-L555 HydrophobicContact CD1-CD1 3.7Å; L534-M558 HydrophobicContact CB-CB 4.18Å; L534-M558 HydrophobicContact CB-CE 3.85Å; L534-M558 HydrophobicContact CD1-CB 4.07Å; L534-L559 HydrophobicContact CD1-CD2 4.03Å; L534-L559 HydrophobicContact CD1-CG 4.1Å; L534-L559 HydrophobicContact CD2-CD2 3.93Å; L534-F562 HydrophobicContact CD2-CB 3.92Å; L534-F562 HydrophobicContact CD2-CD2 4.08Å; L534-F562 HydrophobicContact CD2-CG 4.02Å; L534-L610 HydrophobicContact CD1-CB 4.27Å; L534-H611 PolarHBondContact N-O 2.97Å; L534-L612 HydrophobicContact CB-CD2 4.26Å; L534-L612 HydrophobicContact CD1-CD2 4.03Å; L534-K613 WeakPolarHBondContact O-CB 3.44Å; L534-K613 PolarHBondContact O-N 3.17Å
535	E	93.5	Very high	84.1	Confident	102 Å²	102	66.7 Å²	66.7	48%	0.477	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-87.5	143	176.6	-76.7	177.4	-165.8	0	0	111.7	K613	E535-K613 HydrophobicContact CG-CD 3.73Å; E535-K613 IonicContact OE1-NZ 3.8Å; E535-K613 PolarHBondContact OE1-NZ 2.8Å
536	F	92.3	Very high	82	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.009	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-72.6	141	172.1	-74.4	-102.5	0	0	0	109.8	H541 M558 K561 L612 R614 I626 V630	F536-H541 PolarHBondContact O-NE2 3.44Å; F536-M558 HydrophobicContact CD1-CE 4.2Å; F536-M558 HydrophobicContact CD2-CE 3.81Å; F536-M558 HydrophobicContact CE1-CE 4.26Å; F536-M558 HydrophobicContact CE1-SD 4.47Å; F536-M558 HydrophobicContact CE2-CE 3.88Å; F536-M558 HydrophobicContact CG-CE 3.98Å; F536-M558 HydrophobicContact CZ-CE 4.1Å; F536-K561 PolarHBondContact O-NZ 3.11Å; F536-L612 HydrophobicContact CE2-CB 4.14Å; F536-L612 HydrophobicContact CZ-CB 4.28Å; F536-R614 HydrophobicContact CE2-CG 3.79Å; F536-R614 HydrophobicContact CZ-CG 3.82Å; F536-I626 HydrophobicContact CB-CD1 3.67Å; F536-I626 HydrophobicContact CD1-CD1 4.19Å; F536-I626 HydrophobicContact CD1-CG2 3.93Å; F536-I626 HydrophobicContact CD2-CD1 3.56Å; F536-I626 HydrophobicContact CD2-CG1 4.38Å; F536-I626 HydrophobicContact CE1-CB 4.47Å; F536-I626 HydrophobicContact CE1-CG2 3.97Å; F536-I626 HydrophobicContact CE2-CB 4.45Å; F536-I626 HydrophobicContact CE2-CD1 4.21Å; F536-I626 HydrophobicContact CG-CD1 3.54Å; F536-I626 HydrophobicContact CG-CG2 4.31Å; F536-I626 HydrophobicContact CZ-CB 4.4Å; F536-I626 HydrophobicContact CZ-CG2 4.39Å; F536-V630 HydrophobicContact CE1-CG2 3.53Å; F536-V630 HydrophobicContact CZ-CG2 3.88Å
537	P	90.2	Very high	79.8	Confident	7 Å²	7	69.4 Å²	69.4	5%	0.045	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-55.6	143.5	165.8	-28.1	34.4	0	0	0	112	R539 Y540 E557 K561	P537-R539 HydrophobicContact CB-CG 4.26Å; P537-R539 PolarHBondContact O-N 2.68Å; P537-R539 VanDerWaalsContact O-N 3.07Å; P537-Y540 HydrophobicContact CB-CD2 3.8Å; P537-Y540 HydrophobicContact CB-CE2 3.96Å; P537-Y540 HydrophobicContact CG-CD2 3.99Å; P537-Y540 HydrophobicContact CG-CE2 3.89Å; P537-Y540 PolarHBondContact O-N 3.28Å; P537-E557 HydrophobicContact CG-CG 4.41Å; P537-K561 HydrophobicContact CB-CD 4.37Å; P537-K561 HydrophobicContact CG-CD 4.07Å
538	E	85.5	Confident	77.7	Confident	156 Å²	156	69.2 Å²	69.2	73%	0.729	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59.1	-29.1	-170.3	-65.5	-173.9	164.2	0	0	113.7	Y540 H541	E538-Y540 PolarHBondContact O-N 3.49Å; E538-H541 WeakPolarHBondContact O-CB 3.39Å; E538-H541 PolarHBondContact O-N 3.13Å
539	R	85.1	Confident	75.8	Confident	94 Å²	94	69 Å²	69	36%	0.355	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-59.6	-28.7	176.2	65.1	-172	-168	-90.8	0.3	113.6	P537 H541 S542 E557	P537-R539 HydrophobicContact CB-CG 4.26Å; P537-R539 PolarHBondContact O-N 2.68Å; P537-R539 VanDerWaalsContact O-N 3.07Å; R539-H541 VanDerWaalsContact C-N 3.25Å; R539-H541 PolarHBondContact O-N 2.74Å; R539-S542 PolarHBondContact O-OG 3.4Å; R539-E557 IonicContact CZ-OE1 2.76Å; R539-E557 IonicContact CZ-OE2 3.28Å; R539-E557 IonicContact NH1-OE1 2.68Å; R539-E557 PolarHBondContact NH1-OE1 2.99Å; R539-E557 IonicContact NH2-OE1 3.26Å; R539-E557 PolarHBondContact NH2-OE1 3.42Å; R539-E557 IonicContact NH2-OE2 2.85Å; R539-E557 PolarHBondContact NH2-OE2 3.04Å
540	Y	83.3	Confident	74.4	Confident	17 Å²	17	73.9 Å²	73.9	7%	0.067	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-85	2.4	175.4	-55.2	-63.2	0	0	0	113.1	P537 E538 A551 P552 C553 R616 V628	P537-Y540 HydrophobicContact CB-CD2 3.8Å; P537-Y540 HydrophobicContact CB-CE2 3.96Å; P537-Y540 HydrophobicContact CG-CD2 3.99Å; P537-Y540 HydrophobicContact CG-CE2 3.89Å; P537-Y540 PolarHBondContact O-N 3.28Å; E538-Y540 PolarHBondContact O-N 3.49Å; Y540-A551 PolarHBondContact OH-O 2.85Å; Y540-P552 PolarHBondContact OH-O 3.04Å; Y540-C553 HydrophobicContact CD2-CB 4.38Å; Y540-C553 HydrophobicContact CE1-CB 4.05Å; Y540-C553 HydrophobicContact CE2-CB 3.73Å; Y540-C553 VanDerWaalsContact CE2-SG 3.57Å; Y540-C553 VanDerWaalsContact OH-CA 3.27Å; Y540-C553 WeakPolarHBondContact OH-CA 3.42Å; Y540-C553 PolarHBondContact OH-N 3.46Å; Y540-R616 PolarHBondContact O-NH2 3.11Å; Y540-R616 VanDerWaalsContact O-NH2 3.08Å; Y540-V628 HydrophobicContact CD1-CG1 3.96Å; Y540-V628 HydrophobicContact CD1-CG2 4.2Å; Y540-V628 HydrophobicContact CE1-CG1 4.28Å; Y540-V628 HydrophobicContact CG-CG1 4.48Å
541	H	79.4	Confident	73.5	Confident	69 Å²	69	74 Å²	74	32%	0.319	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-80.6	-22	176.2	-61.5	172.2	0	0	0	112.8	F536 E538 R539 R616	F536-H541 PolarHBondContact O-NE2 3.44Å; E538-H541 WeakPolarHBondContact O-CB 3.39Å; E538-H541 PolarHBondContact O-N 3.13Å; R539-H541 VanDerWaalsContact C-N 3.25Å; R539-H541 PolarHBondContact O-N 2.74Å; H541-R616 PolarHBondContact O-NH1 3.37Å
542	S	65.8	Low	73	Confident	60 Å²	60	76.4 Å²	76.4	42%	0.42	42%	0.416	S	S	.	.			trans	-88.8	131.2	-179.7	66.1	0	0	0	0	112.4	R539 S544 S547	R539-S542 PolarHBondContact O-OG 3.4Å; S542-S544 PolarHBondContact O-N 2.96Å; S542-S547 PolarHBondContact OG-OG 3.14Å; S542-S547 VanDerWaalsContact OG-OG 3.08Å
543	N	55.7	Low	72.8	Confident	126 Å²	126	76.4 Å²	76.4	67%	0.674	42%	0.416	S	S	*	.			trans	-86.4	20.7	171.2	-73.2	-28.4	0	0	0	112.4	R545	N543-R545 PolarHBondContact O-N 2.88Å
544	S	53.5	Low	72.8	Confident	56 Å²	56	78.8 Å²	78.8	39%	0.392	42%	0.424	S	S	.	.			trans	-66.4	125	173.1	179.9	0	0	0	0	108.2	S542 E546 S547	S542-S544 PolarHBondContact O-N 2.96Å; S544-E546 PolarHBondContact O-N 3.48Å; S544-E546 PolarHBondContact OG-N 2.89Å; S544-S547 PolarHBondContact O-N 3.38Å
545	R	50.6	Low	72.8	Confident	242 Å²	242	79 Å²	79	91%	0.913	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-14.6	177.1	-77.1	179.7	164.4	-176.1	-5	113	N543	N543-R545 PolarHBondContact O-N 2.88Å
546	E	51.5	Low	72.9	Confident	163 Å²	163	77.2 Å²	77.2	76%	0.762	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.1	176.4	-67.1	164.1	169.4	0	0	113	S544 A548	S544-E546 PolarHBondContact O-N 3.48Å; S544-E546 PolarHBondContact OG-N 2.89Å; E546-A548 VanDerWaalsContact C-N 3.29Å; E546-A548 PolarHBondContact O-N 3.46Å
547	S	47.7	Very low	73	Confident	31 Å²	31	79.7 Å²	79.7	22%	0.217	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-77.7	-11.6	178.2	-55.7	0	0	0	0	113.4	S542 S544 A549 Q550	S542-S547 PolarHBondContact OG-OG 3.14Å; S542-S547 VanDerWaalsContact OG-OG 3.08Å; S544-S547 PolarHBondContact O-N 3.38Å; S547-A549 PolarHBondContact O-N 2.99Å; S547-Q550 PolarHBondContact O-N 3.42Å
548	A	46.3	Very low	73.3	Confident	92 Å²	92	79.4 Å²	79.4	76%	0.76	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-74.8	-6.3	177.4	0	0	0	0	0	113.6	E546	E546-A548 VanDerWaalsContact C-N 3.29Å; E546-A548 PolarHBondContact O-N 3.46Å
549	A	51.4	Low	73.8	Confident	96 Å²	96	72 Å²	72	79%	0.793	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-88.3	-3.7	170.4	0	0	0	0	0	113.2	S547	S547-A549 PolarHBondContact O-N 2.99Å
550	Q	61.5	Low	74.3	Confident	116 Å²	116	69.8 Å²	69.8	54%	0.542	40%	0.398	S	S	.	.	S	Bend	trans	-89.9	148.8	176.4	-81	156.7	-3.6	0	0	111.1	S547	S547-Q550 PolarHBondContact O-N 3.42Å
551	A	69.4	Low	74.8	Confident	65 Å²	65	71.8 Å²	71.8	54%	0.537	41%	0.407	S	S	.	.			trans	-39.8	149.6	-168.9	0	0	0	0	0	115.6	Y540	Y540-A551 PolarHBondContact OH-O 2.85Å
552	P	82.8	Confident	75.6	Confident	80 Å²	80	70.7 Å²	70.7	52%	0.519	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-56.8	142.1	175.8	24.2	-33.6	0	0	0	111.7	Y540 H554	Y540-P552 PolarHBondContact OH-O 3.04Å; P552-H554 PolarHBondContact O-CD2 2.96Å; P552-H554 VanDerWaalsContact O-CD2 3.29Å; P552-H554 PolarHBondContact O-N 2.84Å
553	C	91.3	Very high	77	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.007	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119.2	174.5	-172.5	0	0	0	0	109.2	Y540 V628 V630 S631	Y540-C553 HydrophobicContact CD2-CB 4.38Å; Y540-C553 HydrophobicContact CE1-CB 4.05Å; Y540-C553 HydrophobicContact CE2-CB 3.73Å; Y540-C553 VanDerWaalsContact CE2-SG 3.57Å; Y540-C553 VanDerWaalsContact OH-CA 3.27Å; Y540-C553 WeakPolarHBondContact OH-CA 3.42Å; Y540-C553 PolarHBondContact OH-N 3.46Å; C553-V628 HydrophobicContact CB-CG1 3.95Å; C553-V630 HydrophobicContact CB-CG2 4.4Å; C553-V630 CarbonylContact O-C 3.58Å; C553-V630 VanDerWaalsContact O-CA 3.31Å; C553-V630 WeakPolarHBondContact O-CA 3.29Å; C553-S631 PolarHBondContact O-N 3.42Å
554	H	94.9	Very high	78.9	Confident	80 Å²	80	68.7 Å²	68.7	37%	0.37	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	145.1	177.1	-69.6	-89.5	0	0	0	111.4	P552 T556 E557 M558	P552-H554 PolarHBondContact O-CD2 2.96Å; P552-H554 VanDerWaalsContact O-CD2 3.29Å; P552-H554 PolarHBondContact O-N 2.84Å; H554-T556 PolarHBondContact O-N 3.03Å; H554-E557 HydrophobicContact CB-CB 4.34Å; H554-E557 WeakPolarHBondContact O-CB 3.46Å; H554-E557 PolarHBondContact O-N 2.93Å; H554-E557 VanDerWaalsContact O-N 3.13Å; H554-M558 PolarHBondContact O-N 3.39Å
555	L	96.4	Very high	80.8	Confident	4 Å²	4	68.9 Å²	68.9	2%	0.021	38%	0.382	C	S	.	.	H	α-helix	trans	-58.2	-39.3	173.8	179.5	65.6	0	0	0	112.1	L534 E557 M558 L559 L610 L612 V630 S631 F632 L636 L715 Y717	L534-L555 HydrophobicContact CD1-CD1 3.7Å; L555-E557 VanDerWaalsContact C-N 3.25Å; L555-E557 PolarHBondContact O-N 3.24Å; L555-M558 PolarHBondContact O-N 3.33Å; L555-M558 VanDerWaalsContact O-N 3.15Å; L555-L559 HydrophobicContact CG-CD1 4.24Å; L555-L559 WeakPolarHBondContact O-CG 3.35Å; L555-L559 PolarHBondContact O-N 3.46Å; L555-L610 HydrophobicContact CD1-CD1 3.98Å; L555-L610 HydrophobicContact CD2-CD1 3.83Å; L555-L610 HydrophobicContact CG-CD1 4.25Å; L555-L612 HydrophobicContact CD1-CD2 4.09Å; L555-V630 HydrophobicContact CB-CG1 4.24Å; L555-S631 PolarHBondContact N-O 2.88Å; L555-F632 HydrophobicContact CB-CB 3.99Å; L555-F632 HydrophobicContact CD2-CB 3.8Å; L555-L636 HydrophobicContact CD2-CD1 4.37Å; L555-L636 HydrophobicContact CD2-CD2 4.27Å; L555-L715 HydrophobicContact CD1-CD1 3.8Å; L555-L715 HydrophobicContact CD2-CD1 3.88Å; L555-L715 HydrophobicContact CG-CD1 4.45Å; L555-Y717 HydrophobicContact CD2-CE2 3.96Å
556	T	95.8	Very high	82.9	Confident	65 Å²	65	62.2 Å²	62.2	40%	0.399	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-33.3	177.8	49.4	0	0	0	0	112.5	H554 A560 L636 Y641	H554-T556 PolarHBondContact O-N 3.03Å; T556-A560 WeakPolarHBondContact O-CB 3.36Å; T556-A560 PolarHBondContact O-N 3.02Å; T556-L636 HydrophobicContact CG2-CD1 4.44Å; T556-Y641 WeakPolarHBondContact CA-OH 3.5Å; T556-Y641 VanDerWaalsContact CB-OH 3.25Å; T556-Y641 WeakPolarHBondContact CB-OH 3.22Å; T556-Y641 PolarHBondContact O-OH 3.1Å
557	E	95	Very high	84.8	Confident	54 Å²	54	58.1 Å²	58.1	25%	0.252	36%	0.355	S	S	.	.	H	α-helix	trans	-68.9	-44	173	175.7	-178.6	-167.7	0	0	111.4	P537 R539 H554 L555 L559 A560 K561	P537-E557 HydrophobicContact CG-CG 4.41Å; R539-E557 IonicContact CZ-OE1 2.76Å; R539-E557 IonicContact CZ-OE2 3.28Å; R539-E557 IonicContact NH1-OE1 2.68Å; R539-E557 PolarHBondContact NH1-OE1 2.99Å; R539-E557 IonicContact NH2-OE1 3.26Å; R539-E557 PolarHBondContact NH2-OE1 3.42Å; R539-E557 IonicContact NH2-OE2 2.85Å; R539-E557 PolarHBondContact NH2-OE2 3.04Å; H554-E557 HydrophobicContact CB-CB 4.34Å; H554-E557 WeakPolarHBondContact O-CB 3.46Å; H554-E557 PolarHBondContact O-N 2.93Å; H554-E557 VanDerWaalsContact O-N 3.13Å; L555-E557 VanDerWaalsContact C-N 3.25Å; L555-E557 PolarHBondContact O-N 3.24Å; E557-L559 VanDerWaalsContact C-N 3.27Å; E557-L559 PolarHBondContact O-N 3.06Å; E557-A560 WeakPolarHBondContact O-CB 3.48Å; E557-A560 PolarHBondContact O-N 3.38Å; E557-A560 VanDerWaalsContact O-N 3.16Å; E557-K561 PolarHBondContact O-N 3.22Å
558	M	96	Very high	86.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-37.7	178	-62.1	-177.9	72.3	0	0	111.6	L534 F536 H554 L555 F562 L612 V630	L534-M558 HydrophobicContact CB-CB 4.18Å; L534-M558 HydrophobicContact CB-CE 3.85Å; L534-M558 HydrophobicContact CD1-CB 4.07Å; F536-M558 HydrophobicContact CD1-CE 4.2Å; F536-M558 HydrophobicContact CD2-CE 3.81Å; F536-M558 HydrophobicContact CE1-CE 4.26Å; F536-M558 HydrophobicContact CE1-SD 4.47Å; F536-M558 HydrophobicContact CE2-CE 3.88Å; F536-M558 HydrophobicContact CG-CE 3.98Å; F536-M558 HydrophobicContact CZ-CE 4.1Å; H554-M558 PolarHBondContact O-N 3.39Å; L555-M558 PolarHBondContact O-N 3.33Å; L555-M558 VanDerWaalsContact O-N 3.15Å; M558-F562 WeakPolarHBondContact O-CB 3.37Å; M558-F562 PolarHBondContact O-N 3.09Å; M558-L612 HydrophobicContact CE-CD2 3.93Å; M558-L612 HydrophobicContact SD-CD2 4.03Å; M558-V630 HydrophobicContact SD-CB 4.47Å; M558-V630 HydrophobicContact SD-CG1 3.75Å; M558-V630 HydrophobicContact SD-CG2 3.85Å
559	L	96.8	Very high	88.5	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-65.7	-42.4	172.4	-73.4	165.7	0	0	0	111.8	L532 L534 L555 E557 K561 F562 T563 L610 L636 M638 Y641	L532-L559 HydrophobicContact CD1-CD2 4.33Å; L534-L559 HydrophobicContact CD1-CD2 4.03Å; L534-L559 HydrophobicContact CD1-CG 4.1Å; L534-L559 HydrophobicContact CD2-CD2 3.93Å; L555-L559 HydrophobicContact CG-CD1 4.24Å; L555-L559 WeakPolarHBondContact O-CG 3.35Å; L555-L559 PolarHBondContact O-N 3.46Å; E557-L559 VanDerWaalsContact C-N 3.27Å; E557-L559 PolarHBondContact O-N 3.06Å; L559-K561 PolarHBondContact O-N 3.02Å; L559-F562 WeakPolarHBondContact O-CB 3.46Å; L559-F562 PolarHBondContact O-N 3.02Å; L559-T563 PolarHBondContact O-N 3.44Å; L559-T563 PolarHBondContact O-OG1 3.26Å; L559-L610 HydrophobicContact CD2-CD2 4.14Å; L559-L636 HydrophobicContact CD1-CD1 4.01Å; L559-L636 HydrophobicContact CD1-CD2 4.28Å; L559-M638 HydrophobicContact CD1-SD 4.01Å; L559-M638 HydrophobicContact CD2-CE 4.24Å; L559-M638 HydrophobicContact CD2-SD 4.44Å; L559-Y641 HydrophobicContact CB-CD1 3.85Å; L559-Y641 HydrophobicContact CB-CD2 4.11Å; L559-Y641 HydrophobicContact CB-CE1 3.54Å; L559-Y641 HydrophobicContact CB-CE2 3.83Å; L559-Y641 HydrophobicContact CB-CG 4.12Å; L559-Y641 HydrophobicContact CD1-CD2 4.16Å; L559-Y641 HydrophobicContact CD1-CE2 3.73Å; L559-Y641 HydrophobicContact CG-CE2 4.38Å
560	A	95.1	Very high	89.8	Confident	47 Å²	47	60 Å²	60	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-46.1	176.6	0	0	0	0	0	111.4	T556 E557 F562 T563 E564 Y641	T556-A560 WeakPolarHBondContact O-CB 3.36Å; T556-A560 PolarHBondContact O-N 3.02Å; E557-A560 WeakPolarHBondContact O-CB 3.48Å; E557-A560 PolarHBondContact O-N 3.38Å; E557-A560 VanDerWaalsContact O-N 3.16Å; A560-F562 VanDerWaalsContact C-N 3.3Å; A560-F562 PolarHBondContact O-N 3.34Å; A560-T563 CarbonylContact O-C 3.5Å; A560-T563 PolarHBondContact O-N 3.03Å; A560-T563 VanDerWaalsContact O-N 3.14Å; A560-T563 PolarHBondContact O-OG1 2.92Å; A560-E564 PolarHBondContact O-N 3.35Å; A560-Y641 HydrophobicContact CB-CE1 4.1Å
561	K	94.6	Very high	90.9	Very high	59 Å²	59	59.2 Å²	59.2	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-40.5	174	-177.6	177.5	174.1	-176.4	0	111.7	F536 P537 E557 L559 T563 E564	F536-K561 PolarHBondContact O-NZ 3.11Å; P537-K561 HydrophobicContact CB-CD 4.37Å; P537-K561 HydrophobicContact CG-CD 4.07Å; E557-K561 PolarHBondContact O-N 3.22Å; L559-K561 PolarHBondContact O-N 3.02Å; K561-T563 VanDerWaalsContact C-N 3.27Å; K561-T563 PolarHBondContact O-N 3.35Å; K561-E564 WeakPolarHBondContact O-CB 3.4Å; K561-E564 PolarHBondContact O-N 3.21Å
562	F	95.7	Very high	91.8	Very high	45 Å²	45	61.1 Å²	61.1	20%	0.197	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-35.2	176.7	-179.6	-89.4	0	0	0	112.6	L510 L532 L534 M558 L559 A560 L599	L510-F562 HydrophobicContact CD1-CE1 4.45Å; L510-F562 HydrophobicContact CD1-CZ 3.99Å; L510-F562 HydrophobicContact CD2-CE1 3.86Å; L510-F562 HydrophobicContact CD2-CZ 4.22Å; L532-F562 HydrophobicContact CD2-CE1 4Å; L532-F562 HydrophobicContact CD2-CZ 3.92Å; L534-F562 HydrophobicContact CD2-CB 3.92Å; L534-F562 HydrophobicContact CD2-CD2 4.08Å; L534-F562 HydrophobicContact CD2-CG 4.02Å; M558-F562 WeakPolarHBondContact O-CB 3.37Å; M558-F562 PolarHBondContact O-N 3.09Å; L559-F562 WeakPolarHBondContact O-CB 3.46Å; L559-F562 PolarHBondContact O-N 3.02Å; A560-F562 VanDerWaalsContact C-N 3.3Å; A560-F562 PolarHBondContact O-N 3.34Å; F562-L599 HydrophobicContact CE1-CB 4.37Å; F562-L599 HydrophobicContact CZ-CD1 4.21Å
563	T	95.6	Very high	92.2	Very high	16 Å²	16	59 Å²	59	10%	0.098	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	7.2	178.7	58.1	0	0	0	0	114.9	L559 A560 K561 Q598 L599 Y641	L559-T563 PolarHBondContact O-N 3.44Å; L559-T563 PolarHBondContact O-OG1 3.26Å; A560-T563 CarbonylContact O-C 3.5Å; A560-T563 PolarHBondContact O-N 3.03Å; A560-T563 VanDerWaalsContact O-N 3.14Å; A560-T563 PolarHBondContact O-OG1 2.92Å; K561-T563 VanDerWaalsContact C-N 3.27Å; K561-T563 PolarHBondContact O-N 3.35Å; T563-Q598 WeakPolarHBondContact O-CG 3.39Å; T563-Q598 PolarHBondContact O-NE2 3.44Å; T563-L599 VanDerWaalsContact CA-O 3.22Å; T563-L599 WeakPolarHBondContact CA-O 3.45Å; T563-L599 WeakPolarHBondContact CB-O 3.23Å; T563-L599 WeakPolarHBondContact CG2-O 3.22Å; T563-Y641 HydrophobicContact CG2-CD1 4.38Å
564	E	94.8	Very high	92.2	Very high	129 Å²	129	61 Å²	61	60%	0.603	34%	0.337	S	S	*	.	S	Bend	trans	-66.7	151.1	179.4	-172.7	170	-152.2	0	0	110.5	A560 K561 E566	A560-E564 PolarHBondContact O-N 3.35Å; K561-E564 WeakPolarHBondContact O-CB 3.4Å; K561-E564 PolarHBondContact O-N 3.21Å; E564-E566 PolarHBondContact O-N 2.94Å
565	T	94.5	Very high	92	Very high	60 Å²	60	57.1 Å²	57.1	37%	0.368	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	114.4	174.6	-59	0	0	0	0	109.4	K596 K597	T565-K596 HydrophobicContact CG2-CB 3.83Å; T565-K596 HydrophobicContact CG2-CD 3.78Å; T565-K596 HydrophobicContact CG2-CG 3.98Å; T565-K597 CarbonylContact C-O 3.53Å; T565-K597 WeakPolarHBondContact CA-O 3.15Å
566	E	93.8	Very high	91.8	Very high	102 Å²	102	61.8 Å²	61.8	48%	0.477	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	143	176.6	61.9	-179.2	168.1	0	0	111.3	E564 K596 K597	E564-E566 PolarHBondContact O-N 2.94Å; E566-K596 CarbonylContact O-C 3.58Å; E566-K596 WeakPolarHBondContact O-CA 3.4Å; E566-K597 HydrophobicContact CG-CB 4.07Å; E566-K597 WeakPolarHBondContact CG-O 3.46Å; E566-K597 PolarHBondContact N-O 2.82Å; E566-K597 PolarHBondContact O-N 3.24Å
567	A	92.1	Very high	91.5	Very high	77 Å²	77	63.1 Å²	63.1	64%	0.636	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	132.3	170.4	0	0	0	0	0	109.4	E569	A567-E569 PolarHBondContact O-N 2.73Å
568	L	90.5	Very high	91.2	Very high	41 Å²	41	61.6 Å²	61.6	22%	0.215	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	104.9	168.2	-63.2	-180	0	0	0	107.5	V514 G570 I572 A595 K597	V514-L568 HydrophobicContact CG1-CD1 4.18Å; L568-G570 PolarHBondContact O-N 2.63Å; L568-I572 HydrophobicContact CB-CD1 4.15Å; L568-I572 HydrophobicContact CB-CG1 4.23Å; L568-A595 VanDerWaalsContact CB-O 3.29Å; L568-A595 WeakPolarHBondContact CB-O 3.49Å; L568-A595 HydrophobicContact CD1-CB 4.1Å; L568-A595 PolarHBondContact N-O 3.12Å; L568-K597 HydrophobicContact CD1-CB 4.41Å; L568-K597 HydrophobicContact CD2-CB 4Å; L568-K597 HydrophobicContact CD2-CD 4.32Å; L568-K597 HydrophobicContact CG-CB 4.13Å
569	E	80.9	Confident	90.9	Very high	180 Å²	180	62.2 Å²	62.2	84%	0.841	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	120.5	-176.2	-68.2	-174.2	174.2	0	0	111.7	A567	A567-E569 PolarHBondContact O-N 2.73Å
570	G	79.3	Confident	90.4	Very high	37 Å²	37	63.2 Å²	63.2	38%	0.381	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	86.6	170.2	178.4	0	0	0	0	0	114.9	L568 I572	L568-G570 PolarHBondContact O-N 2.63Å; G570-I572 VanDerWaalsContact C-N 3.25Å; G570-I572 PolarHBondContact O-N 3.16Å
571	N	82.9	Confident	90	Very high	99 Å²	99	64.9 Å²	64.9	53%	0.529	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	76.9	175.8	-72.8	-53.1	0	0	0	110.1	L592 E594	N571-L592 HydrophobicContact CB-CB 4.11Å; N571-L592 WeakPolarHBondContact O-CB 3.17Å; N571-L592 WeakPolarHBondContact O-CD1 3.39Å; N571-E594 WeakPolarHBondContact OD1-CG 3.37Å; N571-E594 PolarHBondContact OD1-N 2.97Å
572	I	88.9	Confident	89.3	Confident	105 Å²	105	65.8 Å²	65.8	54%	0.538	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-15.2	-178.6	65.5	171.5	0	0	0	113.5	L568 G570	L568-I572 HydrophobicContact CB-CD1 4.15Å; L568-I572 HydrophobicContact CB-CG1 4.23Å; G570-I572 VanDerWaalsContact C-N 3.25Å; G570-I572 PolarHBondContact O-N 3.16Å
573	Y	90.9	Very high	88.7	Confident	35 Å²	35	72.2 Å²	72.2	14%	0.137	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.7	-175.3	178.8	-116.7	0	0	0	112.5	V514 C516 S523 C575 L592 T593 A595	V514-Y573 HydrophobicContact CB-CE2 4.38Å; V514-Y573 HydrophobicContact CG1-CD1 4.15Å; V514-Y573 HydrophobicContact CG1-CD2 3.84Å; V514-Y573 HydrophobicContact CG1-CE1 4.01Å; V514-Y573 HydrophobicContact CG1-CE2 3.72Å; V514-Y573 HydrophobicContact CG1-CG 4.06Å; C516-Y573 HydrophobicContact CB-CD1 4.36Å; C516-Y573 HydrophobicContact CB-CE1 4.06Å; S523-Y573 WeakPolarHBondContact CB-OH 3.4Å; Y573-C575 HydrophobicContact CD1-CB 3.98Å; Y573-C575 HydrophobicContact CE1-CB 3.64Å; Y573-C575 PolarHBondContact O-N 2.96Å; Y573-L592 CarbonylContact O-C 3.58Å; Y573-L592 WeakPolarHBondContact O-CA 3.47Å; Y573-T593 WeakPolarHBondContact CB-O 3.43Å; Y573-T593 PolarHBondContact N-O 3.49Å; Y573-T593 VanDerWaalsContact N-O 3.14Å; Y573-T593 PolarHBondContact O-N 3.2Å; Y573-T593 PolarHBondContact O-OG1 2.93Å; Y573-A595 HydrophobicContact CD1-CB 3.6Å; Y573-A595 HydrophobicContact CE1-CB 4.44Å; Y573-A595 HydrophobicContact CG-CB 3.78Å
574	A	91.8	Very high	87.9	Confident	43 Å²	43	81.6 Å²	81.6	36%	0.355	42%	0.416	S	S	.	.			trans	-82	88.2	173.5	0	0	0	0	0	110.6	D576 V590 L592	A574-D576 PolarHBondContact O-N 3.14Å; A574-V590 HydrophobicContact CB-CG1 3.93Å; A574-L592 HydrophobicContact CB-CD2 3.81Å
575	C	91.6	Very high	87	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	42%	0.42	C	S	.	.			trans	-68.1	124.5	179.6	178.2	0	0	0	0	111.8	C516 Y573 Q577 C578 N579	C516-C575 HydrophobicContact CB-CB 4.17Å; Y573-C575 HydrophobicContact CD1-CB 3.98Å; Y573-C575 HydrophobicContact CE1-CB 3.64Å; Y573-C575 PolarHBondContact O-N 2.96Å; C575-Q577 PolarHBondContact O-N 2.55Å; C575-C578 HydrophobicContact CB-CB 3.98Å; C575-C578 PolarHBondContact O-N 3.41Å; C575-N579 WeakPolarHBondContact O-CB 3.32Å; C575-N579 PolarHBondContact O-N 3.16Å; C575-N579 PolarHBondContact O-ND2 3.42Å
576	D	90.6	Very high	85.9	Confident	101 Å²	101	80.2 Å²	80.2	54%	0.54	42%	0.418	S	S	.	.	H	α-helix	trans	-61.4	-40.7	179.9	-74.2	-38	0	0	0	112.9	A574 A580	A574-D576 PolarHBondContact O-N 3.14Å; D576-A580 WeakPolarHBondContact O-CB 3.4Å; D576-A580 PolarHBondContact O-N 3.46Å
577	Q	89.6	Confident	84.6	Confident	93 Å²	93	81.6 Å²	81.6	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-67.3	-47.6	179.7	-65.9	-66.2	0	0	0	111.7	H521 C575 N579 A580 V581	H521-Q577 HydrophobicContact CB-CB 4.34Å; H521-Q577 HydrophobicContact CB-CG 3.91Å; H521-Q577 VanDerWaalsContact CG-CG 3.42Å; C575-Q577 PolarHBondContact O-N 2.55Å; Q577-N579 VanDerWaalsContact C-N 3.32Å; Q577-N579 PolarHBondContact O-N 3.06Å; Q577-A580 PolarHBondContact O-N 3.11Å; Q577-V581 WeakPolarHBondContact O-CG2 3.14Å; Q577-V581 PolarHBondContact O-N 2.94Å
578	C	89.2	Confident	83.5	Confident	22 Å²	22	85 Å²	85	15%	0.149	44%	0.439	C	S	.	.	H	α-helix	trans	-61.9	-42.1	178.1	-64.3	0	0	0	0	111.3	C519 C575 R582 I591	C519-C578 PolarHBondContact SG-SG 2.78Å; C575-C578 HydrophobicContact CB-CB 3.98Å; C575-C578 PolarHBondContact O-N 3.41Å; C578-R582 WeakPolarHBondContact O-CB 3.42Å; C578-R582 PolarHBondContact O-N 2.95Å; C578-I591 HydrophobicContact CB-CD1 3.86Å
579	N	89.1	Confident	82.7	Confident	13 Å²	13	88.5 Å²	88.5	7%	0.07	46%	0.463	C	S	.	.	H	α-helix	trans	-75.7	-26	178.5	-75.9	-68.7	0	0	0	113.3	C575 Q577 R583 V590 I591	C575-N579 WeakPolarHBondContact O-CB 3.32Å; C575-N579 PolarHBondContact O-N 3.16Å; C575-N579 PolarHBondContact O-ND2 3.42Å; Q577-N579 VanDerWaalsContact C-N 3.32Å; Q577-N579 PolarHBondContact O-N 3.06Å; N579-R583 WeakPolarHBondContact O-CB 3.42Å; N579-R583 VanDerWaalsContact O-CG 3.25Å; N579-R583 WeakPolarHBondContact O-CG 3.44Å; N579-R583 PolarHBondContact O-N 3.41Å; N579-R583 PolarHBondContact O-NE 2.83Å; N579-V590 WeakPolarHBondContact OD1-CA 3.27Å; N579-I591 PolarHBondContact ND2-O 2.94Å; N579-I591 VanDerWaalsContact OD1-CG1 3.25Å; N579-I591 WeakPolarHBondContact OD1-CG1 3.45Å; N579-I591 PolarHBondContact OD1-N 3.45Å
580	A	87.4	Confident	82.8	Confident	23 Å²	23	84.7 Å²	84.7	19%	0.19	45%	0.452	C	S	.	.	H	α-helix	trans	-69.5	-45.8	172	0	0	0	0	0	111.3	D576 Q577 R582 R583 R584	D576-A580 WeakPolarHBondContact O-CB 3.4Å; D576-A580 PolarHBondContact O-N 3.46Å; Q577-A580 PolarHBondContact O-N 3.11Å; A580-R582 VanDerWaalsContact C-N 3.35Å; A580-R583 PolarHBondContact O-N 3.26Å; A580-R584 PolarHBondContact O-N 3.06Å
581	V	85.3	Confident	83.2	Confident	83 Å²	83	85 Å²	85	50%	0.503	44%	0.444	S	S	.	.	H	α-helix	trans	-60.9	-45.9	175	173.9	0	0	0	0	110.5	Q577 R583 R584 T585	Q577-V581 WeakPolarHBondContact O-CG2 3.14Å; Q577-V581 PolarHBondContact O-N 2.94Å; V581-R583 PolarHBondContact O-N 3Å; V581-R584 WeakPolarHBondContact O-CB 3.35Å; V581-R584 PolarHBondContact O-N 3.2Å; V581-T585 PolarHBondContact O-N 2.76Å; V581-T585 PolarHBondContact O-OG1 3.27Å
582	R	81.3	Confident	83.6	Confident	77 Å²	77	84.5 Å²	84.5	29%	0.291	44%	0.441	S	S	.	.	H	α-helix	trans	-65.2	-38.4	179.2	-174	173.6	165.9	132.3	-18.1	113.3	C578 A580 R584 T585 C586 T589	C578-R582 WeakPolarHBondContact O-CB 3.42Å; C578-R582 PolarHBondContact O-N 2.95Å; A580-R582 VanDerWaalsContact C-N 3.35Å; R582-R584 PolarHBondContact O-N 2.69Å; R582-T585 WeakPolarHBondContact CA-OG1 3.48Å; R582-T585 PolarHBondContact O-N 3.49Å; R582-T585 PolarHBondContact O-OG1 3.43Å; R582-C586 PolarHBondContact O-N 2.97Å; R582-T589 PolarHBondContact NE-O 3.49Å; R582-T589 PolarHBondContact NH2-O 2.88Å
583	R	83	Confident	83.6	Confident	180 Å²	180	80 Å²	80	68%	0.679	42%	0.419	S	S	*	.	H	α-helix	trans	-60.4	-28.5	174.8	-85.1	-177.2	-74.2	179.8	-4.2	112.8	N579 A580 V581	N579-R583 WeakPolarHBondContact O-CB 3.42Å; N579-R583 VanDerWaalsContact O-CG 3.25Å; N579-R583 WeakPolarHBondContact O-CG 3.44Å; N579-R583 PolarHBondContact O-N 3.41Å; N579-R583 PolarHBondContact O-NE 2.83Å; A580-R583 PolarHBondContact O-N 3.26Å; V581-R583 PolarHBondContact O-N 3Å
584	R	79.4	Confident	83.8	Confident	213 Å²	213	83.4 Å²	83.4	80%	0.804	44%	0.436	S	S	*	.	H	α-helix	trans	-76.8	-27.8	175.1	-64.5	176.4	-170.6	165.1	2.7	112.7	A580 V581 R582	A580-R584 PolarHBondContact O-N 3.06Å; V581-R584 WeakPolarHBondContact O-CB 3.35Å; V581-R584 PolarHBondContact O-N 3.2Å; R582-R584 PolarHBondContact O-N 2.69Å
585	T	75.6	Confident	83.9	Confident	111 Å²	111	81.4 Å²	81.4	68%	0.681	42%	0.419	S	S	*	.	H	α-helix	trans	-104.6	-20	-173.3	54.8	0	0	0	0	114.2	V581 R582	V581-T585 PolarHBondContact O-N 2.76Å; V581-T585 PolarHBondContact O-OG1 3.27Å; R582-T585 WeakPolarHBondContact CA-OG1 3.48Å; R582-T585 PolarHBondContact O-N 3.49Å; R582-T585 PolarHBondContact O-OG1 3.43Å
586	C	70.6	Confident	84.1	Confident	49 Å²	49	85.6 Å²	85.6	33%	0.331	44%	0.438	S	S	.	.			trans	-158.6	143	-178.4	-172.3	0	0	0	0	112	R582 K588	R582-C586 PolarHBondContact O-N 2.97Å; C586-K588 PolarHBondContact O-N 3.49Å; C586-K588 VanDerWaalsContact O-N 3.17Å
587	S	67.4	Low	84.3	Confident	131 Å²	131	83.5 Å²	83.5	92%	0.916	42%	0.424	S	S	*	.			trans	-78.7	16.1	176.1	53	0	0	0	0	114.7
588	K	68.3	Low	84.6	Confident	148 Å²	148	81.5 Å²	81.5	64%	0.643	41%	0.414	S	S	*	.			trans	-84.5	159	-175	-84.5	178.5	-178.4	172.2	0	113.9	C586	C586-K588 PolarHBondContact O-N 3.49Å; C586-K588 VanDerWaalsContact O-N 3.17Å
589	T	72.8	Confident	84.9	Confident	115 Å²	115	82 Å²	82	71%	0.706	42%	0.415	S	S	*	.			trans	-45	149.1	177.9	50.4	0	0	0	0	114.3	R582 I591	R582-T589 PolarHBondContact NE-O 3.49Å; R582-T589 PolarHBondContact NH2-O 2.88Å; T589-I591 PolarHBondContact O-N 3.06Å
590	V	84.3	Confident	85.2	Confident	100 Å²	100	82.6 Å²	82.6	61%	0.606	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-49.4	132.2	176.6	176.4	0	0	0	0	110.2	A574 N579 L592	A574-V590 HydrophobicContact CB-CG1 3.93Å; N579-V590 WeakPolarHBondContact OD1-CA 3.27Å; V590-L592 HydrophobicContact CG1-CD2 4.47Å
591	I	87.4	Confident	85.5	Confident	45 Å²	45	81.6 Å²	81.6	23%	0.231	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-90.3	140	170.2	52	171.1	0	0	0	110.9	C578 N579 T589	C578-I591 HydrophobicContact CB-CD1 3.86Å; N579-I591 PolarHBondContact ND2-O 2.94Å; N579-I591 VanDerWaalsContact OD1-CG1 3.25Å; N579-I591 WeakPolarHBondContact OD1-CG1 3.45Å; N579-I591 PolarHBondContact OD1-N 3.45Å; T589-I591 PolarHBondContact O-N 3.06Å
592	L	91.1	Very high	85.8	Confident	87 Å²	87	84 Å²	84	46%	0.455	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-103.3	138.8	169.3	-52.9	177.5	0	0	0	107.8	N571 Y573 A574 V590	N571-L592 HydrophobicContact CB-CB 4.11Å; N571-L592 WeakPolarHBondContact O-CB 3.17Å; N571-L592 WeakPolarHBondContact O-CD1 3.39Å; Y573-L592 CarbonylContact O-C 3.58Å; Y573-L592 WeakPolarHBondContact O-CA 3.47Å; A574-L592 HydrophobicContact CB-CD2 3.81Å; V590-L592 HydrophobicContact CG1-CD2 4.47Å
593	T	89.3	Confident	86.2	Confident	12 Å²	12	85.9 Å²	85.9	7%	0.074	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	156.2	-176.5	54	0	0	0	0	109.3	C516 A518 Y573	C516-T593 PolarHBondContact SG-OG1 2.81Å; C516-T593 VanDerWaalsContact SG-OG1 3.39Å; A518-T593 HydrophobicContact CB-CG2 4.01Å; Y573-T593 WeakPolarHBondContact CB-O 3.43Å; Y573-T593 PolarHBondContact N-O 3.49Å; Y573-T593 VanDerWaalsContact N-O 3.14Å; Y573-T593 PolarHBondContact O-N 3.2Å; Y573-T593 PolarHBondContact O-OG1 2.93Å
594	E	93.9	Very high	86.6	Confident	106 Å²	106	78.6 Å²	78.6	50%	0.495	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	143.8	163.9	-57.2	-175.4	129.7	0	0	109.6	L517 N571	L517-E594 HydrophobicContact CB-CB 4.39Å; L517-E594 HydrophobicContact CD1-CB 3.92Å; L517-E594 HydrophobicContact CG-CB 4.43Å; L517-E594 PolarHBondContact N-O 2.47Å; N571-E594 WeakPolarHBondContact OD1-CG 3.37Å; N571-E594 PolarHBondContact OD1-N 2.97Å
595	A	94.4	Very high	87.1	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.008	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.4	179	0	0	0	0	0	109.8	V514 T515 L568 Y573	V514-A595 HydrophobicContact CG1-CB 3.75Å; T515-A595 CarbonylContact O-C 3.6Å; T515-A595 VanDerWaalsContact O-CA 3.23Å; T515-A595 WeakPolarHBondContact O-CA 3.48Å; T515-A595 WeakPolarHBondContact O-CB 3.44Å; L568-A595 VanDerWaalsContact CB-O 3.29Å; L568-A595 WeakPolarHBondContact CB-O 3.49Å; L568-A595 HydrophobicContact CD1-CB 4.1Å; L568-A595 PolarHBondContact N-O 3.12Å; Y573-A595 HydrophobicContact CD1-CB 3.6Å; Y573-A595 HydrophobicContact CE1-CB 4.44Å; Y573-A595 HydrophobicContact CG-CB 3.78Å
596	K	95.3	Very high	87.7	Confident	88 Å²	88	65.8 Å²	65.8	38%	0.383	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.1	169.5	63.1	-175.3	-170.3	171.6	0	109.5	V514 T515 L517 T565 E566	V514-K596 CarbonylContact C-O 3.45Å; V514-K596 WeakPolarHBondContact CA-O 3.39Å; T515-K596 PolarHBondContact N-O 3.21Å; T515-K596 PolarHBondContact O-N 2.86Å; L517-K596 HydrophobicContact CD2-CD 4.13Å; L517-K596 HydrophobicContact CD2-CG 4.17Å; T565-K596 HydrophobicContact CG2-CB 3.83Å; T565-K596 HydrophobicContact CG2-CD 3.78Å; T565-K596 HydrophobicContact CG2-CG 3.98Å; E566-K596 CarbonylContact O-C 3.58Å; E566-K596 WeakPolarHBondContact O-CA 3.4Å
597	K	95.1	Very high	88.7	Confident	57 Å²	57	63.6 Å²	63.6	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.9	179.5	-176.3	-177.6	173.3	-160.4	0	109.5	S512 Q513 V514 T565 E566 L568	S512-K597 WeakPolarHBondContact OG-CE 3.29Å; Q513-K597 CarbonylContact O-C 3.51Å; Q513-K597 VanDerWaalsContact O-CA 3.3Å; Q513-K597 WeakPolarHBondContact O-CA 3.48Å; V514-K597 HydrophobicContact CG2-CB 4.48Å; V514-K597 HydrophobicContact CG2-CG 4.21Å; T565-K597 CarbonylContact C-O 3.53Å; T565-K597 WeakPolarHBondContact CA-O 3.15Å; E566-K597 HydrophobicContact CG-CB 4.07Å; E566-K597 WeakPolarHBondContact CG-O 3.46Å; E566-K597 PolarHBondContact N-O 2.82Å; E566-K597 PolarHBondContact O-N 3.24Å; L568-K597 HydrophobicContact CD1-CB 4.41Å; L568-K597 HydrophobicContact CD2-CB 4Å; L568-K597 HydrophobicContact CD2-CD 4.32Å; L568-K597 HydrophobicContact CG-CB 4.13Å
598	Q	95.9	Very high	90	Very high	51 Å²	51	57.4 Å²	57.4	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	135.4	173	-170	179.9	19.4	0	0	109.3	Q513 T563 M600	Q513-Q598 PolarHBondContact N-O 2.82Å; Q513-Q598 PolarHBondContact O-N 3.22Å; T563-Q598 WeakPolarHBondContact O-CG 3.39Å; T563-Q598 PolarHBondContact O-NE2 3.44Å; Q598-M600 HydrophobicContact CG-CE 4.47Å; Q598-M600 HydrophobicContact CG-CG 4.23Å
599	L	95.6	Very high	91.4	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.168	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.5	169.2	-63.3	178.3	0	0	0	109.2	L511 F562 T563	L511-L599 WeakPolarHBondContact O-CA 3.25Å; F562-L599 HydrophobicContact CE1-CB 4.37Å; F562-L599 HydrophobicContact CZ-CD1 4.21Å; T563-L599 VanDerWaalsContact CA-O 3.22Å; T563-L599 WeakPolarHBondContact CA-O 3.45Å; T563-L599 WeakPolarHBondContact CB-O 3.23Å; T563-L599 WeakPolarHBondContact CG2-O 3.22Å
600	M	94.9	Very high	92.5	Very high	25 Å²	25	44.9 Å²	44.9	12%	0.123	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154.7	175.1	-68.3	167.7	-82.3	0	0	109.8	L510 L511 Q513 Q598 Y602	L510-M600 CarbonylContact C-O 3.47Å; L510-M600 WeakPolarHBondContact CA-O 3.25Å; L511-M600 HydrophobicContact CB-CB 4.47Å; L511-M600 HydrophobicContact CD2-CE 3.84Å; L511-M600 HydrophobicContact CG-CE 4.3Å; L511-M600 PolarHBondContact N-O 2.94Å; L511-M600 PolarHBondContact O-N 2.92Å; Q513-M600 HydrophobicContact CB-CE 3.93Å; Q598-M600 HydrophobicContact CG-CE 4.47Å; Q598-M600 HydrophobicContact CG-CG 4.23Å; M600-Y602 PolarHBondContact O-N 3.31Å
601	V	94.1	Very high	93.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	112.2	173.8	-176	0	0	0	0	109.5	L510 F529 L532 L604 M638 Y641 C642 S643	L510-V601 HydrophobicContact CD2-CG2 4.24Å; F529-V601 HydrophobicContact CE1-CG1 4.35Å; F529-V601 HydrophobicContact CZ-CG1 4.46Å; L532-V601 HydrophobicContact CD1-CG2 4.31Å; V601-L604 HydrophobicContact CG1-CD2 3.73Å; V601-L604 HydrophobicContact CG1-CG 3.82Å; V601-M638 HydrophobicContact CG2-CE 4.27Å; V601-Y641 PolarHBondContact N-O 3.39Å; V601-C642 CarbonylContact O-C 3.58Å; V601-C642 WeakPolarHBondContact O-CA 3.41Å; V601-S643 PolarHBondContact O-N 2.95Å
602	Y	91.6	Very high	93.6	Very high	133 Å²	133	38.8 Å²	38.8	52%	0.522	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-46.5	177.7	-176.2	-110.6	0	0	0	112	Q509 V526 M600	Q509-Y602 HydrophobicContact CB-CD1 4.1Å; Q509-Y602 WeakPolarHBondContact O-CA 3.2Å; Q509-Y602 WeakPolarHBondContact O-CB 3.39Å; Q509-Y602 PolarHBondContact O-N 2.79Å; V526-Y602 HydrophobicContact CG1-CD1 4.01Å; V526-Y602 HydrophobicContact CG2-CD1 4.49Å; M600-Y602 PolarHBondContact O-N 3.31Å
603	K	90	Very high	93.7	Very high	117 Å²	117	38.3 Å²	38.3	51%	0.509	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	126.7	177.6	-173.5	-176.2	175.9	-173.9	0	109.6	G508 Q509	G508-K603 CarbonylContact C-O 3.6Å; G508-K603 WeakPolarHBondContact CA-O 3.44Å; Q509-K603 HydrophobicContact CB-CB 3.81Å; Q509-K603 HydrophobicContact CG-CB 4.03Å; Q509-K603 HydrophobicContact CG-CD 4.43Å; Q509-K603 PolarHBondContact N-O 2.87Å; Q509-K603 PolarHBondContact O-N 2.87Å
604	L	90.5	Very high	93.8	Very high	28 Å²	28	37.9 Å²	37.9	15%	0.147	17%	0.17	C	C	.	.			trans	-85.8	136.6	179	-85.4	168.8	0	0	0	111.5	V601 M638 F659 Y661	V601-L604 HydrophobicContact CG1-CD2 3.73Å; V601-L604 HydrophobicContact CG1-CG 3.82Å; L604-M638 HydrophobicContact CD1-CB 4Å; L604-M638 HydrophobicContact CD2-CB 3.94Å; L604-M638 HydrophobicContact CD2-CE 4.13Å; L604-M638 HydrophobicContact CD2-CG 4.11Å; L604-F659 HydrophobicContact CD1-CD1 3.73Å; L604-F659 HydrophobicContact CD1-CE1 4.28Å; L604-Y661 WeakPolarHBondContact CB-OH 3.43Å; L604-Y661 HydrophobicContact CD1-CE2 4.15Å; L604-Y661 HydrophobicContact CD2-CE2 4.09Å
605	P	90.9	Very high	93.6	Very high	2 Å²	2	35 Å²	35	1%	0.013	16%	0.155	C	C	.	.			trans	-78.5	157.8	174.3	32	-34.8	0	0	0	112	F529 V607 L608 Y661	F529-P605 HydrophobicContact CE2-CG 4.39Å; F529-P605 HydrophobicContact CZ-CG 4.38Å; P605-V607 VanDerWaalsContact C-N 3.3Å; P605-V607 PolarHBondContact O-N 2.78Å; P605-L608 HydrophobicContact CG-CB 4.19Å; P605-L608 HydrophobicContact CG-CD1 3.94Å; P605-Y661 WeakPolarHBondContact O-CE1 3.47Å; P605-Y661 PolarHBondContact O-OH 3.26Å
606	Q	88.4	Confident	93.1	Very high	52 Å²	52	36.7 Å²	36.7	24%	0.243	16%	0.162	C	C	.	.	S	Bend	trans	-64.6	-36.1	174.3	-171	-180	47.5	0	0	112.2	I505 T718 Q719	I505-Q606 PolarHBondContact O-N 2.77Å; I505-Q606 VanDerWaalsContact O-N 3.16Å; Q606-T718 WeakPolarHBondContact O-CA 3.35Å; Q606-Q719 WeakPolarHBondContact O-CB 3.25Å; Q606-Q719 PolarHBondContact O-N 2.77Å
607	V	92.3	Very high	92.3	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	107.1	171.8	178.2	0	0	0	0	108.5	L345 I505 F506 P605 F716 Y717 T718	L345-V607 HydrophobicContact CD1-CG1 4.13Å; L345-V607 HydrophobicContact CD2-CG1 4.06Å; L345-V607 HydrophobicContact CD2-CG2 4.39Å; I505-V607 HydrophobicContact CG2-CB 3.8Å; I505-V607 HydrophobicContact CG2-CG2 3.57Å; I505-V607 PolarHBondContact O-N 2.96Å; F506-V607 HydrophobicContact CD1-CB 4.04Å; F506-V607 HydrophobicContact CD1-CG1 4.12Å; F506-V607 HydrophobicContact CE1-CB 4Å; F506-V607 HydrophobicContact CE1-CG1 3.81Å; P605-V607 VanDerWaalsContact C-N 3.3Å; P605-V607 PolarHBondContact O-N 2.78Å; V607-F716 HydrophobicContact CG1-CD1 4.27Å; V607-Y717 CarbonylContact C-O 3.54Å; V607-Y717 VanDerWaalsContact CA-O 3.28Å; V607-Y717 WeakPolarHBondContact CA-O 3.46Å; V607-T718 HydrophobicContact CG2-CG2 4.46Å
608	L	94.8	Very high	91.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.4	176	-178.9	65.6	0	0	0	110	F529 L532 P605 L610 L636 M638 Y661 Y717	F529-L608 HydrophobicContact CE2-CD1 4.21Å; F529-L608 HydrophobicContact CZ-CD1 4.44Å; L532-L608 HydrophobicContact CD1-CD1 4.03Å; L532-L608 HydrophobicContact CG-CD1 4.35Å; P605-L608 HydrophobicContact CG-CB 4.19Å; P605-L608 HydrophobicContact CG-CD1 3.94Å; L608-L610 HydrophobicContact CD1-CD2 4.07Å; L608-L610 HydrophobicContact CD2-CD1 4.43Å; L608-L610 HydrophobicContact CD2-CD2 3.95Å; L608-L610 HydrophobicContact CD2-CG 4.32Å; L608-L610 HydrophobicContact CG-CD2 3.81Å; L608-L610 HydrophobicContact CG-CG 4.17Å; L608-L636 HydrophobicContact CD2-CD2 4.29Å; L608-M638 HydrophobicContact CD2-CE 3.77Å; L608-M638 HydrophobicContact CD2-CG 3.74Å; L608-M638 HydrophobicContact CD2-SD 3.55Å; L608-M638 VanDerWaalsContact CD2-SD 3.55Å; L608-Y661 HydrophobicContact CB-CD1 3.9Å; L608-Y661 HydrophobicContact CB-CE1 3.64Å; L608-Y717 PolarHBondContact N-O 3.36Å; L608-Y717 PolarHBondContact O-N 2.85Å
609	R	95.9	Very high	90.2	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120	176.3	-63.4	-175.9	-65.3	175.5	-10	109.6	F506 W530 D531 L532 L715 F716	F506-R609 HydrophobicContact CD1-CG 4.39Å; W530-R609 PolarHBondContact O-NE 2.96Å; W530-R609 PolarHBondContact O-NH2 2.9Å; D531-R609 WeakPolarHBondContact CA-O 3.47Å; D531-R609 HydrophobicContact CB-CB 4.05Å; L532-R609 PolarHBondContact N-O 3.45Å; R609-L715 WeakPolarHBondContact CA-O 3.5Å; R609-F716 HydrophobicContact CG-CD1 3.74Å; R609-F716 HydrophobicContact CG-CE1 3.72Å
610	L	97.6	Very high	88.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.9	177.3	-52	176.7	0	0	0	108.1	L532 L534 L555 L559 L608 L636 I714 L715 Y717	L532-L610 HydrophobicContact CB-CD2 3.81Å; L532-L610 HydrophobicContact CD1-CD2 3.88Å; L532-L610 HydrophobicContact CG-CD2 4.22Å; L534-L610 HydrophobicContact CD1-CB 4.27Å; L555-L610 HydrophobicContact CD1-CD1 3.98Å; L555-L610 HydrophobicContact CD2-CD1 3.83Å; L555-L610 HydrophobicContact CG-CD1 4.25Å; L559-L610 HydrophobicContact CD2-CD2 4.14Å; L608-L610 HydrophobicContact CD1-CD2 4.07Å; L608-L610 HydrophobicContact CD2-CD1 4.43Å; L608-L610 HydrophobicContact CD2-CD2 3.95Å; L608-L610 HydrophobicContact CD2-CG 4.32Å; L608-L610 HydrophobicContact CG-CD2 3.81Å; L608-L610 HydrophobicContact CG-CG 4.17Å; L610-L636 HydrophobicContact CD1-CD2 3.79Å; L610-I714 WeakPolarHBondContact O-CA 3.4Å; L610-L715 HydrophobicContact CB-CB 4.24Å; L610-L715 PolarHBondContact N-O 3.32Å; L610-L715 PolarHBondContact O-N 3.24Å; L610-Y717 HydrophobicContact CD1-CD2 4.02Å; L610-Y717 HydrophobicContact CD1-CE2 4.04Å
611	H	97.5	Very high	87.1	Confident	16 Å²	16	55 Å²	55	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.3	175.6	161.3	-128.7	0	0	0	108.8	Q463 L532 S533 L534 Y713	Q463-H611 HydrophobicContact CG-CB 4.16Å; L532-H611 PolarHBondContact O-N 2.98Å; S533-H611 CarbonylContact C-O 3.57Å; S533-H611 WeakPolarHBondContact CA-O 3.33Å; S533-H611 PolarHBondContact OG-ND1 3.27Å; L534-H611 PolarHBondContact N-O 2.97Å; H611-Y713 AromaticContact CD2-CE2 3.87Å; H611-Y713 AromaticContact CD2-CZ 3.9Å; H611-Y713 AromaticContact NE2-CE2 3.61Å; H611-Y713 AromaticContact NE2-CZ 3.65Å; H611-Y713 PolarHBondContact NE2-OH 2.97Å
612	L	96.4	Very high	85.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.7	176.8	-51.8	-173.2	0	0	0	108.5	L534 F536 L555 M558 R614 V630 A712 Y713 L715	L534-L612 HydrophobicContact CB-CD2 4.26Å; L534-L612 HydrophobicContact CD1-CD2 4.03Å; F536-L612 HydrophobicContact CE2-CB 4.14Å; F536-L612 HydrophobicContact CZ-CB 4.28Å; L555-L612 HydrophobicContact CD1-CD2 4.09Å; M558-L612 HydrophobicContact CE-CD2 3.93Å; M558-L612 HydrophobicContact SD-CD2 4.03Å; L612-R614 HydrophobicContact CB-CG 4.33Å; L612-R614 PolarHBondContact O-N 3.49Å; L612-V630 HydrophobicContact CD1-CB 4.03Å; L612-V630 HydrophobicContact CD1-CG1 4.25Å; L612-V630 HydrophobicContact CD1-CG2 4.02Å; L612-A712 HydrophobicContact CD1-CB 4.32Å; L612-A712 WeakPolarHBondContact CD1-O 3.41Å; L612-Y713 PolarHBondContact N-O 3.47Å; L612-L715 HydrophobicContact CD1-CD1 4.45Å
613	K	94	Very high	85.2	Confident	78 Å²	78	60.6 Å²	60.6	34%	0.339	28%	0.283	S	S	.	.			trans	-68.9	70.4	-177.9	-65.2	-168.4	-166.7	171.2	0	112	S533 L534 E535	S533-K613 VanDerWaalsContact CB-CE 3.46Å; S533-K613 WeakPolarHBondContact O-CE 3.44Å; L534-K613 WeakPolarHBondContact O-CB 3.44Å; L534-K613 PolarHBondContact O-N 3.17Å; E535-K613 HydrophobicContact CG-CD 3.73Å; E535-K613 IonicContact OE1-NZ 3.8Å; E535-K613 PolarHBondContact OE1-NZ 2.8Å
614	R	91.3	Very high	84.9	Confident	3 Å²	3	56.1 Å²	56.1	1%	0.011	26%	0.264	C	S	.	.			trans	-75.9	-24.9	-176.8	-71.6	-171.9	179.8	-76.5	-4.8	112.9	F536 L612 K625 I626 V628 A712 Y713	F536-R614 HydrophobicContact CE2-CG 3.79Å; F536-R614 HydrophobicContact CZ-CG 3.82Å; L612-R614 HydrophobicContact CB-CG 4.33Å; L612-R614 PolarHBondContact O-N 3.49Å; R614-K625 HydrophobicContact CB-CG 4.37Å; R614-K625 CarbonylContact O-C 3.52Å; R614-K625 VanDerWaalsContact O-CA 3.27Å; R614-K625 WeakPolarHBondContact O-CA 3.43Å; R614-I626 PolarHBondContact NH1-O 3.04Å; R614-I626 VanDerWaalsContact O-CG1 3.3Å; R614-I626 WeakPolarHBondContact O-CG1 3.48Å; R614-I626 PolarHBondContact O-N 2.78Å; R614-V628 PolarHBondContact NH1-O 2.94Å; R614-A712 PolarHBondContact NE-O 2.88Å; R614-A712 PolarHBondContact NH2-O 3.22Å; R614-Y713 HydrophobicContact CB-CD2 4.42Å; R614-Y713 HydrophobicContact CG-CD2 4.44Å
615	F	88.2	Confident	84.8	Confident	45 Å²	45	56.3 Å²	56.3	20%	0.197	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.6	178.2	-58.4	-70	0	0	0	109.4	K625 H669 Y713	F615-K625 HydrophobicContact CD1-CB 4.09Å; F615-K625 HydrophobicContact CD1-CG 4.15Å; F615-K625 HydrophobicContact CE1-CB 4.14Å; F615-K625 HydrophobicContact CE1-CD 3.92Å; F615-K625 HydrophobicContact CE1-CG 3.95Å; F615-K625 HydrophobicContact CZ-CD 4.49Å; F615-H669 AromaticContact CE1-ND1 3.96Å; F615-H669 AromaticContact CZ-CE1 3.63Å; F615-H669 AromaticContact CZ-ND1 3.37Å; F615-H669 WeakPolarHBondContact CZ-ND1 3.48Å; F615-Y713 AromaticContact CD2-CE2 3.95Å; F615-Y713 HydrophobicContact CD2-CE2 3.95Å; F615-Y713 HydrophobicContact CE2-CD2 4.49Å; F615-Y713 AromaticContact CE2-CE2 3.75Å; F615-Y713 HydrophobicContact CE2-CE2 3.75Å; F615-Y713 AromaticContact CE2-CZ 3.89Å
616	R	84	Confident	84.7	Confident	37 Å²	37	56.3 Å²	56.3	14%	0.14	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.6	177.4	71.7	178.2	116.3	108.9	-2.7	111.4	Y540 H541 R623 E624 I626	Y540-R616 PolarHBondContact O-NH2 3.11Å; Y540-R616 VanDerWaalsContact O-NH2 3.08Å; H541-R616 PolarHBondContact O-NH1 3.37Å; R616-R623 WeakPolarHBondContact O-CA 3.14Å; R616-E624 WeakPolarHBondContact CD-OE1 3.22Å; R616-E624 HydrophobicContact CG-CG 3.44Å; R616-E624 VanDerWaalsContact CG-CG 3.44Å; R616-E624 IonicContact CZ-OE1 2.73Å; R616-E624 PolarHBondContact N-O 2.82Å; R616-E624 IonicContact NE-OE1 2.63Å; R616-E624 IonicContact NH1-OE1 2.93Å; R616-E624 PolarHBondContact NH1-OE1 2.85Å; R616-E624 IonicContact NH1-OE2 3.75Å; R616-E624 PolarHBondContact NH1-OE2 3.08Å; R616-E624 PolarHBondContact O-N 3.48Å; R616-I626 VanDerWaalsContact NE-CG1 3.29Å
617	W	79.4	Confident	84.6	Confident	147 Å²	147	56.2 Å²	56.2	56%	0.557	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	127.4	168.6	-101.6	75.6	0	0	0	110.2	N621 R623	W617-N621 HydrophobicContact CH2-CB 3.89Å; W617-N621 WeakPolarHBondContact CH2-OD1 3.41Å; W617-N621 HydrophobicContact CZ3-CB 4.04Å; W617-N621 WeakPolarHBondContact CZ3-OD1 3.16Å; W617-R623 HydrophobicContact CG-CG 4.45Å
618	S	73.9	Confident	84.5	Confident	42 Å²	42	58.3 Å²	58.3	29%	0.294	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.6	175.9	-149.2	0	0	0	0	109.4	H622 E624	S618-H622 CarbonylContact C-O 3.58Å; S618-H622 WeakPolarHBondContact CA-O 3.41Å; S618-H622 PolarHBondContact N-O 2.62Å; S618-H622 WeakPolarHBondContact O-CB 3.38Å; S618-H622 PolarHBondContact O-N 2.86Å; S618-E624 VanDerWaalsContact CB-CD 3.44Å; S618-E624 WeakPolarHBondContact CB-OE1 3.2Å; S618-E624 PolarHBondContact OG-OE1 3.43Å
619	G	71.8	Confident	84.4	Confident	66 Å²	66	61.4 Å²	61.4	68%	0.68	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	-153.8	174	0	0	0	0	0	115.8	N621	G619-N621 VanDerWaalsContact C-N 3.27Å; G619-N621 PolarHBondContact O-N 3.31Å
620	R	64.2	Low	84.4	Confident	250 Å²	250	61.4 Å²	61.4	94%	0.943	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	57.8	-171.3	-62.3	-174	-164.3	176	5.5	114.1
621	N	62.2	Low	84.4	Confident	131 Å²	131	63 Å²	63	70%	0.701	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.1	23.2	173.4	-47.6	-18.5	0	0	0	117.4	W617 G619	W617-N621 HydrophobicContact CH2-CB 3.89Å; W617-N621 WeakPolarHBondContact CH2-OD1 3.41Å; W617-N621 HydrophobicContact CZ3-CB 4.04Å; W617-N621 WeakPolarHBondContact CZ3-OD1 3.16Å; G619-N621 VanDerWaalsContact C-N 3.27Å; G619-N621 PolarHBondContact O-N 3.31Å
622	H	69.8	Low	84.3	Confident	120 Å²	120	62.6 Å²	62.6	56%	0.556	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.9	168.7	-168.9	63.6	0	0	0	110.3	S618	S618-H622 CarbonylContact C-O 3.58Å; S618-H622 WeakPolarHBondContact CA-O 3.41Å; S618-H622 PolarHBondContact N-O 2.62Å; S618-H622 WeakPolarHBondContact O-CB 3.38Å; S618-H622 PolarHBondContact O-N 2.86Å
623	R	76.8	Confident	84.3	Confident	133 Å²	133	67.8 Å²	67.8	50%	0.502	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.5	168.1	-67.8	-176.7	-172.2	-175.1	-0.3	108.1	R616 W617	R616-R623 WeakPolarHBondContact O-CA 3.14Å; W617-R623 HydrophobicContact CG-CG 4.45Å
624	E	83	Confident	84.3	Confident	24 Å²	24	67.2 Å²	67.2	11%	0.112	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.1	179.8	68.9	-172.1	152.7	0	0	111.4	R616 S618	R616-E624 WeakPolarHBondContact CD-OE1 3.22Å; R616-E624 HydrophobicContact CG-CG 3.44Å; R616-E624 VanDerWaalsContact CG-CG 3.44Å; R616-E624 IonicContact CZ-OE1 2.73Å; R616-E624 PolarHBondContact N-O 2.82Å; R616-E624 IonicContact NE-OE1 2.63Å; R616-E624 IonicContact NH1-OE1 2.93Å; R616-E624 PolarHBondContact NH1-OE1 2.85Å; R616-E624 IonicContact NH1-OE2 3.75Å; R616-E624 PolarHBondContact NH1-OE2 3.08Å; R616-E624 PolarHBondContact O-N 3.48Å; S618-E624 VanDerWaalsContact CB-CD 3.44Å; S618-E624 WeakPolarHBondContact CB-OE1 3.2Å; S618-E624 PolarHBondContact OG-OE1 3.43Å
625	K	88.8	Confident	84.5	Confident	31 Å²	31	71.6 Å²	71.6	14%	0.135	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128	176.5	-176.8	-176.2	171.9	-173.6	0	109.8	R614 F615 G627 H669 G671	R614-K625 HydrophobicContact CB-CG 4.37Å; R614-K625 CarbonylContact O-C 3.52Å; R614-K625 VanDerWaalsContact O-CA 3.27Å; R614-K625 WeakPolarHBondContact O-CA 3.43Å; F615-K625 HydrophobicContact CD1-CB 4.09Å; F615-K625 HydrophobicContact CD1-CG 4.15Å; F615-K625 HydrophobicContact CE1-CB 4.14Å; F615-K625 HydrophobicContact CE1-CD 3.92Å; F615-K625 HydrophobicContact CE1-CG 3.95Å; F615-K625 HydrophobicContact CZ-CD 4.49Å; K625-G627 PolarHBondContact O-N 3.43Å; K625-H669 PolarHBondContact NZ-ND1 2.84Å; K625-H669 PolarHBondContact NZ-O 3.37Å; K625-G671 WeakPolarHBondContact CD-O 3.22Å; K625-G671 PolarHBondContact NZ-O 2.86Å
626	I	88.1	Confident	84.8	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.015	35%	0.354	C	S	.	.			trans	-73.3	109.1	173.9	-39.9	-158.4	0	0	0	109	F536 R614 R616 V628	F536-I626 HydrophobicContact CB-CD1 3.67Å; F536-I626 HydrophobicContact CD1-CD1 4.19Å; F536-I626 HydrophobicContact CD1-CG2 3.93Å; F536-I626 HydrophobicContact CD2-CD1 3.56Å; F536-I626 HydrophobicContact CD2-CG1 4.38Å; F536-I626 HydrophobicContact CE1-CB 4.47Å; F536-I626 HydrophobicContact CE1-CG2 3.97Å; F536-I626 HydrophobicContact CE2-CB 4.45Å; F536-I626 HydrophobicContact CE2-CD1 4.21Å; F536-I626 HydrophobicContact CG-CD1 3.54Å; F536-I626 HydrophobicContact CG-CG2 4.31Å; F536-I626 HydrophobicContact CZ-CB 4.4Å; F536-I626 HydrophobicContact CZ-CG2 4.39Å; R614-I626 PolarHBondContact NH1-O 3.04Å; R614-I626 VanDerWaalsContact O-CG1 3.3Å; R614-I626 WeakPolarHBondContact O-CG1 3.48Å; R614-I626 PolarHBondContact O-N 2.78Å; R616-I626 VanDerWaalsContact NE-CG1 3.29Å; I626-V628 VanDerWaalsContact C-N 3.33Å; I626-V628 HydrophobicContact CG2-CB 4.05Å; I626-V628 HydrophobicContact CG2-CG2 3.99Å
627	G	87.4	Confident	85.3	Confident	50 Å²	50	71 Å²	71	52%	0.515	36%	0.364	S	S	.	.			trans	-88	8.9	178.1	0	0	0	0	0	114.6	K625 Q711	K625-G627 PolarHBondContact O-N 3.43Å; G627-Q711 PolarHBondContact O-NE2 3.22Å
628	V	90.2	Very high	86	Confident	47 Å²	47	64 Å²	64	29%	0.285	34%	0.337	S	S	.	.			trans	-70.4	130.5	178.1	177.3	0	0	0	0	109.7	Y540 C553 R614 I626	Y540-V628 HydrophobicContact CD1-CG1 3.96Å; Y540-V628 HydrophobicContact CD1-CG2 4.2Å; Y540-V628 HydrophobicContact CE1-CG1 4.28Å; Y540-V628 HydrophobicContact CG-CG1 4.48Å; C553-V628 HydrophobicContact CB-CG1 3.95Å; R614-V628 PolarHBondContact NH1-O 2.94Å; I626-V628 VanDerWaalsContact C-N 3.33Å; I626-V628 HydrophobicContact CG2-CB 4.05Å; I626-V628 HydrophobicContact CG2-CG2 3.99Å
629	H	92.8	Very high	86.9	Confident	66 Å²	66	67.2 Å²	67.2	31%	0.306	35%	0.347	S	S	.	.			trans	-69.3	135	172.4	176.9	68.1	0	0	0	109.5	C708 R709 A710	H629-C708 PolarHBondContact CE1-O 2.64Å; H629-R709 PolarHBondContact CE1-O 3.16Å; H629-A710 PolarHBondContact CE1-O 2.88Å; H629-A710 PolarHBondContact ND1-O 3.46Å
630	V	95.6	Very high	87.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.4	175.4	178	0	0	0	0	106.2	F536 C553 L555 M558 L612 F632	F536-V630 HydrophobicContact CE1-CG2 3.53Å; F536-V630 HydrophobicContact CZ-CG2 3.88Å; C553-V630 HydrophobicContact CB-CG2 4.4Å; C553-V630 CarbonylContact O-C 3.58Å; C553-V630 VanDerWaalsContact O-CA 3.31Å; C553-V630 WeakPolarHBondContact O-CA 3.29Å; L555-V630 HydrophobicContact CB-CG1 4.24Å; M558-V630 HydrophobicContact SD-CB 4.47Å; M558-V630 HydrophobicContact SD-CG1 3.75Å; M558-V630 HydrophobicContact SD-CG2 3.85Å; L612-V630 HydrophobicContact CD1-CB 4.03Å; L612-V630 HydrophobicContact CD1-CG1 4.25Å; L612-V630 HydrophobicContact CD1-CG2 4.02Å; V630-F632 WeakPolarHBondContact O-CD1 3.32Å
631	S	96.3	Very high	89.3	Confident	35 Å²	35	57.5 Å²	57.5	25%	0.245	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.8	177.2	-61.8	0	0	0	0	109.9	C553 L555	C553-S631 PolarHBondContact O-N 3.42Å; L555-S631 PolarHBondContact N-O 2.88Å
632	F	96.9	Very high	90.7	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.026	28%	0.277	C	S	.	.			trans	-140.8	147.2	176.9	58.4	-90.6	0	0	0	109.9	L555 V630 L663 V666 V707 C708 A712 L715	L555-F632 HydrophobicContact CB-CB 3.99Å; L555-F632 HydrophobicContact CD2-CB 3.8Å; V630-F632 WeakPolarHBondContact O-CD1 3.32Å; F632-L663 HydrophobicContact CD2-CD2 4.14Å; F632-L663 HydrophobicContact CE2-CD2 3.83Å; F632-V666 HydrophobicContact CE2-CG2 4.02Å; F632-V666 HydrophobicContact CZ-CG1 4.28Å; F632-V666 HydrophobicContact CZ-CG2 4.22Å; F632-V707 VanDerWaalsContact CZ-O 3.29Å; F632-V707 WeakPolarHBondContact CZ-O 2.77Å; F632-C708 PolarHBondContact O-SG 3.22Å; F632-C708 VanDerWaalsContact O-SG 3.41Å; F632-A712 HydrophobicContact CD1-CB 4.21Å; F632-A712 HydrophobicContact CE1-CB 3.5Å; F632-A712 HydrophobicContact CZ-CB 3.97Å; F632-L715 HydrophobicContact CB-CD1 4.42Å; F632-L715 HydrophobicContact CD1-CD1 4.3Å; F632-L715 HydrophobicContact CD1-CD2 3.93Å; F632-L715 HydrophobicContact CD2-CD2 3.68Å; F632-L715 HydrophobicContact CE1-CD2 3.94Å; F632-L715 HydrophobicContact CE2-CD2 3.65Å; F632-L715 HydrophobicContact CG-CD1 4.26Å; F632-L715 HydrophobicContact CG-CD2 3.83Å; F632-L715 HydrophobicContact CZ-CD2 3.79Å
633	D	95.2	Very high	91.5	Very high	110 Å²	110	47.7 Å²	47.7	59%	0.588	26%	0.257	S	S	*	.			trans	-101.8	162.9	-176.2	-60	-41.7	0	0	0	111.2	L635 Y717	D633-L635 PolarHBondContact O-N 3.38Å; D633-Y717 PolarHBondContact O-OH 3.01Å
634	Q	94.7	Very high	91	Very high	65 Å²	65	47.8 Å²	47.8	30%	0.304	27%	0.267	S	S	.	.	S	Bend	trans	-61.5	-31.3	173.1	-178.6	178.3	0.5	0	0	111.9	E662 L663 V704	Q634-E662 HydrophobicContact CG-CG 4.17Å; Q634-E662 PolarHBondContact NE2-OE1 2.94Å; Q634-E662 CarbonylContact O-C 2.86Å; Q634-E662 WeakPolarHBondContact O-CA 3.34Å; Q634-L663 PolarHBondContact O-N 2.85Å; Q634-V704 HydrophobicContact CB-CG2 4.17Å; Q634-V704 HydrophobicContact CG-CG2 4.36Å
635	L	95.2	Very high	89.5	Confident	95 Å²	95	51.5 Å²	51.5	50%	0.497	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	130.5	179.9	-64.7	175.6	0	0	0	110.4	D633 Y661 E662	D633-L635 PolarHBondContact O-N 3.38Å; L635-Y661 CarbonylContact C-O 3.48Å; L635-Y661 WeakPolarHBondContact CA-O 3.34Å; L635-E662 HydrophobicContact CD2-CB 4.12Å; L635-E662 HydrophobicContact CD2-CG 4.21Å
636	L	95.6	Very high	87.3	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.042	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.3	179.2	178	64.7	0	0	0	110.1	L555 T556 L559 L608 L610 M638 Y661 Y717	L555-L636 HydrophobicContact CD2-CD1 4.37Å; L555-L636 HydrophobicContact CD2-CD2 4.27Å; T556-L636 HydrophobicContact CG2-CD1 4.44Å; L559-L636 HydrophobicContact CD1-CD1 4.01Å; L559-L636 HydrophobicContact CD1-CD2 4.28Å; L608-L636 HydrophobicContact CD2-CD2 4.29Å; L610-L636 HydrophobicContact CD1-CD2 3.79Å; L636-M638 HydrophobicContact CD2-CG 4.34Å; L636-M638 HydrophobicContact CD2-SD 3.76Å; L636-M638 HydrophobicContact CG-CG 4.35Å; L636-M638 HydrophobicContact CG-SD 4.08Å; L636-Y661 PolarHBondContact N-O 3.38Å; L636-Y661 PolarHBondContact O-N 3.2Å; L636-Y717 HydrophobicContact CB-CD1 3.9Å; L636-Y717 HydrophobicContact CB-CE1 3.62Å; L636-Y717 HydrophobicContact CD2-CD1 4.37Å; L636-Y717 HydrophobicContact CD2-CD2 4.03Å; L636-Y717 HydrophobicContact CD2-CE1 4.35Å; L636-Y717 HydrophobicContact CD2-CE2 3.99Å; L636-Y717 HydrophobicContact CD2-CG 4.22Å
637	N	94.2	Very high	84.9	Confident	63 Å²	63	58 Å²	58	34%	0.337	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.4	170.1	-174.6	10.4	0	0	0	110.2	E639 F659 L660	N637-E639 WeakPolarHBondContact OD1-CB 3.17Å; N637-E639 PolarHBondContact OD1-N 2.86Å; N637-F659 WeakPolarHBondContact OD1-CB 3.17Å; N637-L660 HydrophobicContact CB-CD2 4.05Å
638	M	94.1	Very high	82.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.362	C	S	.	.			trans	-91.7	-7.6	179	-72.1	-62.3	-64.6	0	0	114.4	L532 L559 V601 L604 L608 L636 Y641 C642 F659 Y661	L532-M638 HydrophobicContact CD1-CE 4.28Å; L559-M638 HydrophobicContact CD1-SD 4.01Å; L559-M638 HydrophobicContact CD2-CE 4.24Å; L559-M638 HydrophobicContact CD2-SD 4.44Å; V601-M638 HydrophobicContact CG2-CE 4.27Å; L604-M638 HydrophobicContact CD1-CB 4Å; L604-M638 HydrophobicContact CD2-CB 3.94Å; L604-M638 HydrophobicContact CD2-CE 4.13Å; L604-M638 HydrophobicContact CD2-CG 4.11Å; L608-M638 HydrophobicContact CD2-CE 3.77Å; L608-M638 HydrophobicContact CD2-CG 3.74Å; L608-M638 HydrophobicContact CD2-SD 3.55Å; L608-M638 VanDerWaalsContact CD2-SD 3.55Å; L636-M638 HydrophobicContact CD2-CG 4.34Å; L636-M638 HydrophobicContact CD2-SD 3.76Å; L636-M638 HydrophobicContact CG-CG 4.35Å; L636-M638 HydrophobicContact CG-SD 4.08Å; M638-Y641 HydrophobicContact CE-CD2 4.19Å; M638-Y641 PolarHBondContact O-N 3.06Å; M638-Y641 VanDerWaalsContact O-N 3.09Å; M638-Y641 HydrophobicContact SD-CD2 4Å; M638-C642 PolarHBondContact O-SG 3.44Å; M638-F659 PolarHBondContact N-O 2.88Å; M638-Y661 HydrophobicContact CB-CD2 4.36Å; M638-Y661 HydrophobicContact CB-CE2 4.31Å; M638-Y661 HydrophobicContact CG-CD2 3.78Å; M638-Y661 HydrophobicContact CG-CE2 3.96Å
639	E	91.4	Very high	80.2	Confident	108 Å²	108	65 Å²	65	51%	0.505	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-50.5	-44.9	-176.7	-176.1	177	-153.9	0	0	114.1	N637 Y641 C642 F659	N637-E639 WeakPolarHBondContact OD1-CB 3.17Å; N637-E639 PolarHBondContact OD1-N 2.86Å; E639-Y641 PolarHBondContact O-N 3.36Å; E639-Y641 VanDerWaalsContact O-N 3.11Å; E639-C642 PolarHBondContact O-N 3.22Å; E639-F659 HydrophobicContact CB-CB 3.78Å; E639-F659 HydrophobicContact CB-CD1 4.02Å; E639-F659 HydrophobicContact CB-CD2 4.03Å; E639-F659 HydrophobicContact CB-CG 3.68Å; E639-F659 HydrophobicContact CG-CD2 4.09Å; E639-F659 HydrophobicContact CG-CE2 4.3Å; E639-F659 HydrophobicContact CG-CG 4.21Å
640	P	92.7	Very high	77.6	Confident	90 Å²	90	65.4 Å²	65.4	58%	0.584	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.1	-177.1	-21.3	34.9	0	0	0	114.4
641	Y	93.8	Very high	74.9	Confident	22 Å²	22	70.9 Å²	70.9	9%	0.086	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-100.5	-3.3	-174.7	-46.6	-64.8	0	0	0	112.3	T556 L559 A560 T563 V601 M638 E639	T556-Y641 WeakPolarHBondContact CA-OH 3.5Å; T556-Y641 VanDerWaalsContact CB-OH 3.25Å; T556-Y641 WeakPolarHBondContact CB-OH 3.22Å; T556-Y641 PolarHBondContact O-OH 3.1Å; L559-Y641 HydrophobicContact CB-CD1 3.85Å; L559-Y641 HydrophobicContact CB-CD2 4.11Å; L559-Y641 HydrophobicContact CB-CE1 3.54Å; L559-Y641 HydrophobicContact CB-CE2 3.83Å; L559-Y641 HydrophobicContact CB-CG 4.12Å; L559-Y641 HydrophobicContact CD1-CD2 4.16Å; L559-Y641 HydrophobicContact CD1-CE2 3.73Å; L559-Y641 HydrophobicContact CG-CE2 4.38Å; A560-Y641 HydrophobicContact CB-CE1 4.1Å; T563-Y641 HydrophobicContact CG2-CD1 4.38Å; V601-Y641 PolarHBondContact N-O 3.39Å; M638-Y641 HydrophobicContact CE-CD2 4.19Å; M638-Y641 PolarHBondContact O-N 3.06Å; M638-Y641 VanDerWaalsContact O-N 3.09Å; M638-Y641 HydrophobicContact SD-CD2 4Å; E639-Y641 PolarHBondContact O-N 3.36Å; E639-Y641 VanDerWaalsContact O-N 3.11Å
642	C	91.6	Very high	72.2	Confident	25 Å²	25	72.9 Å²	72.9	17%	0.169	47%	0.47	C	S	.	.	B	Isolated β-bridge	trans	-88.1	147.5	-179.6	-71.9	0	0	0	0	111.9	V601 M638 E639 N644 F659	V601-C642 CarbonylContact O-C 3.58Å; V601-C642 WeakPolarHBondContact O-CA 3.41Å; M638-C642 PolarHBondContact O-SG 3.44Å; E639-C642 PolarHBondContact O-N 3.22Å; C642-N644 PolarHBondContact O-N 3.34Å; C642-F659 HydrophobicContact CB-CE1 3.99Å
643	S	86.5	Confident	69.4	Low	20 Å²	20	77.1 Å²	77.1	14%	0.14	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-68.8	118.4	170.5	61.2	0	0	0	0	109.1	V601 P645	V601-S643 PolarHBondContact O-N 2.95Å; S643-P645 WeakPolarHBondContact O-CD 3.3Å
644	N	67.9	Low	66.8	Low	135 Å²	135	77.7 Å²	77.7	72%	0.722	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-61.6	125.6	175.9	-119.6	-13	0	0	0	109.5	C642 S646	C642-N644 PolarHBondContact O-N 3.34Å; N644-S646 PolarHBondContact O-N 2.72Å
645	P	50.3	Low	64.5	Low	102 Å²	102	84.9 Å²	84.9	66%	0.662	53%	0.534	S	S	*	.			trans	-71.8	8.6	174.5	27.6	-31.7	0	0	0	113.3	S643 S647	S643-P645 WeakPolarHBondContact O-CD 3.3Å; P645-S647 VanDerWaalsContact C-N 3.29Å; P645-S647 PolarHBondContact O-N 3.03Å
646	S	42	Very low	62.4	Low	90 Å²	90	84.2 Å²	84.2	63%	0.629	54%	0.535	S	S	*	.			trans	-76.5	70.5	-175.8	-41	0	0	0	0	112.7	N644	N644-S646 PolarHBondContact O-N 2.72Å
647	S	38.7	Very low	60.6	Low	81 Å²	81	90.9 Å²	90.9	57%	0.566	56%	0.564	S	S	*	*			trans	-87.1	131.8	139	-171.2	0	0	0	0	107	P645 S649	P645-S647 VanDerWaalsContact C-N 3.29Å; P645-S647 PolarHBondContact O-N 3.03Å; S647-S649 PolarHBondContact O-N 2.86Å; S647-S649 PolarHBondContact OG-OG 3.46Å
648	P	40.4	Very low	59.6	Low	140 Å²	140	91.1 Å²	91.1	91%	0.909	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	11.3	-171.7	-19	30.8	0	0	0	116.7
649	S	38.1	Very low	59.3	Low	103 Å²	103	93.4 Å²	93.4	72%	0.72	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	14	-161.9	54.3	0	0	0	0	115.7	S647	S647-S649 PolarHBondContact O-N 2.86Å; S647-S649 PolarHBondContact OG-OG 3.46Å
650	A	38.2	Very low	59.3	Low	76 Å²	76	92.3 Å²	92.3	63%	0.628	57%	0.567	S	S	*	*			trans	-135.4	71.6	174.7	0	0	0	0	0	111.6	G652	A650-G652 PolarHBondContact O-N 3.33Å; A650-G652 VanDerWaalsContact O-N 3.16Å
651	A	40.2	Very low	59.4	Low	114 Å²	114	88 Å²	88	94%	0.942	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	106.4	162.4	0	0	0	0	0	108.6
652	G	38.5	Very low	59.5	Low	78 Å²	78	90.1 Å²	90.1	80%	0.804	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	154.5	-13.7	169.2	0	0	0	0	0	118	A650	A650-G652 PolarHBondContact O-N 3.33Å; A650-G652 VanDerWaalsContact O-N 3.16Å
653	S	39.2	Very low	59.7	Low	94 Å²	94	89 Å²	89	66%	0.657	54%	0.543	S	S	*	.	S	Bend	trans	-94	132.1	175.7	61.7	0	0	0	0	111.5	R655	S653-R655 PolarHBondContact O-N 3.39Å
654	P	39.8	Very low	60.2	Low	122 Å²	122	89.1 Å²	89.1	79%	0.792	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-64.2	125.9	-179.5	21.6	-26.6	0	0	0	109.7
655	R	47.2	Very low	61.6	Low	217 Å²	217	82.8 Å²	82.8	82%	0.819	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-50	136.4	173.2	-66.2	-179.4	179.7	172.5	-0.3	109.3	S653 K657	S653-R655 PolarHBondContact O-N 3.39Å; R655-K657 PolarHBondContact O-N 3.1Å
656	P	50.8	Low	63.9	Low	80 Å²	80	77.9 Å²	77.9	52%	0.519	48%	0.478	S	S	.	.			trans	-62.3	107.5	169.1	24	-29.4	0	0	0	108.3	Y658 F659	P656-Y658 PolarHBondContact O-N 3.16Å; P656-F659 HydrophobicContact CG-CZ 3.97Å; P656-F659 VanDerWaalsContact O-CE2 3.25Å; P656-F659 WeakPolarHBondContact O-CE2 3.46Å
657	K	56.1	Low	66.6	Low	148 Å²	148	73.6 Å²	73.6	64%	0.643	45%	0.448	S	S	*	.			trans	-76	5.6	-172.6	-77.9	-177.4	176.4	-178.7	0	114.5	R655 D724	R655-K657 PolarHBondContact O-N 3.1Å; K657-D724 IonicContact NZ-OD2 3.76Å
658	Y	73.4	Confident	69.3	Low	69 Å²	69	70 Å²	70	27%	0.271	42%	0.422	S	S	.	.			trans	-137.2	78.7	-164.6	-47.7	-59.6	0	0	0	113.5	P656 Q719 T722	P656-Y658 PolarHBondContact O-N 3.16Å; Y658-Q719 PolarHBondContact O-NE2 3.04Å; Y658-T722 VanDerWaalsContact CE1-OG1 3.25Å; Y658-T722 WeakPolarHBondContact CE1-OG1 3.33Å
659	F	87.6	Confident	71.9	Confident	47 Å²	47	63.7 Å²	63.7	21%	0.206	38%	0.38	C	S	.	.			trans	-93.7	-7.3	172.2	-61.9	-77.2	0	0	0	113.8	L604 N637 M638 E639 C642 P656 Y661	L604-F659 HydrophobicContact CD1-CD1 3.73Å; L604-F659 HydrophobicContact CD1-CE1 4.28Å; N637-F659 WeakPolarHBondContact OD1-CB 3.17Å; M638-F659 PolarHBondContact N-O 2.88Å; E639-F659 HydrophobicContact CB-CB 3.78Å; E639-F659 HydrophobicContact CB-CD1 4.02Å; E639-F659 HydrophobicContact CB-CD2 4.03Å; E639-F659 HydrophobicContact CB-CG 3.68Å; E639-F659 HydrophobicContact CG-CD2 4.09Å; E639-F659 HydrophobicContact CG-CE2 4.3Å; E639-F659 HydrophobicContact CG-CG 4.21Å; C642-F659 HydrophobicContact CB-CE1 3.99Å; P656-F659 HydrophobicContact CG-CZ 3.97Å; P656-F659 VanDerWaalsContact O-CE2 3.25Å; P656-F659 WeakPolarHBondContact O-CE2 3.46Å; F659-Y661 WeakPolarHBondContact O-CD2 3.39Å
660	L	92.5	Very high	74.4	Confident	85 Å²	85	62.7 Å²	62.7	45%	0.445	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.2	-177.9	-63.5	177.4	0	0	0	110.8	N637 R720	N637-L660 HydrophobicContact CB-CD2 4.05Å; L660-R720 PolarHBondContact O-N 2.91Å
661	Y	94.3	Very high	76.6	Confident	1 Å²	1	61 Å²	61	0%	0.004	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.6	177.5	-78.4	-99.3	0	0	0	110.8	L604 P605 L608 L635 L636 M638 F659 T718 Q719	L604-Y661 WeakPolarHBondContact CB-OH 3.43Å; L604-Y661 HydrophobicContact CD1-CE2 4.15Å; L604-Y661 HydrophobicContact CD2-CE2 4.09Å; P605-Y661 WeakPolarHBondContact O-CE1 3.47Å; P605-Y661 PolarHBondContact O-OH 3.26Å; L608-Y661 HydrophobicContact CB-CD1 3.9Å; L608-Y661 HydrophobicContact CB-CE1 3.64Å; L635-Y661 CarbonylContact C-O 3.48Å; L635-Y661 WeakPolarHBondContact CA-O 3.34Å; L636-Y661 PolarHBondContact N-O 3.38Å; L636-Y661 PolarHBondContact O-N 3.2Å; M638-Y661 HydrophobicContact CB-CD2 4.36Å; M638-Y661 HydrophobicContact CB-CE2 4.31Å; M638-Y661 HydrophobicContact CG-CD2 3.78Å; M638-Y661 HydrophobicContact CG-CE2 3.96Å; F659-Y661 WeakPolarHBondContact O-CD2 3.39Å; Y661-T718 WeakPolarHBondContact CA-O 3.28Å; Y661-T718 VanDerWaalsContact CD1-C 3.47Å; Y661-Q719 HydrophobicContact CD1-CB 4.2Å; Y661-Q719 VanDerWaalsContact CD1-N 3.35Å; Y661-Q719 HydrophobicContact CE1-CB 3.68Å; Y661-Q719 HydrophobicContact CE1-CG 4.45Å; Y661-Q719 HydrophobicContact CE2-CG 4.48Å
662	E	95.2	Very high	78.2	Confident	66 Å²	66	65.1 Å²	65.1	31%	0.308	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	138.6	173.7	-173.6	167.6	-165.1	0	0	110.3	Q634 L635 S664 Y717 T718	Q634-E662 HydrophobicContact CG-CG 4.17Å; Q634-E662 PolarHBondContact NE2-OE1 2.94Å; Q634-E662 CarbonylContact O-C 2.86Å; Q634-E662 WeakPolarHBondContact O-CA 3.34Å; L635-E662 HydrophobicContact CD2-CB 4.12Å; L635-E662 HydrophobicContact CD2-CG 4.21Å; E662-S664 PolarHBondContact O-N 3.02Å; E662-Y717 CarbonylContact O-C 3.5Å; E662-Y717 VanDerWaalsContact O-CA 3.31Å; E662-Y717 WeakPolarHBondContact O-CA 3.35Å; E662-T718 PolarHBondContact N-O 3.36Å; E662-T718 PolarHBondContact O-N 2.99Å
663	L	97.2	Very high	79.6	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	124	-179.7	-171.6	72.8	0	0	0	109.9	F632 Q634 V666 W691 V707 L715 Y717	F632-L663 HydrophobicContact CD2-CD2 4.14Å; F632-L663 HydrophobicContact CE2-CD2 3.83Å; Q634-L663 PolarHBondContact O-N 2.85Å; L663-V666 HydrophobicContact CD1-CG2 4.04Å; L663-V666 HydrophobicContact CD2-CG2 3.8Å; L663-V666 HydrophobicContact CG-CG2 4.22Å; L663-W691 HydrophobicContact CB-CH2 4.32Å; L663-W691 HydrophobicContact CB-CZ2 4.35Å; L663-W691 HydrophobicContact CD2-CH2 3.9Å; L663-W691 HydrophobicContact CD2-CZ2 4.17Å; L663-W691 HydrophobicContact CG-CH2 3.81Å; L663-W691 HydrophobicContact CG-CZ2 4.26Å; L663-W691 WeakPolarHBondContact O-CH2 3.3Å; L663-W691 VanDerWaalsContact O-CZ2 3.25Å; L663-W691 WeakPolarHBondContact O-CZ2 3.4Å; L663-V707 HydrophobicContact CD2-CG1 3.84Å; L663-L715 HydrophobicContact CD1-CD2 4.01Å; L663-Y717 HydrophobicContact CB-CD1 4.17Å; L663-Y717 HydrophobicContact CB-CE1 3.78Å; L663-Y717 HydrophobicContact CD1-CD1 4.26Å; L663-Y717 HydrophobicContact CD1-CD2 4.17Å; L663-Y717 HydrophobicContact CD1-CE1 3.81Å; L663-Y717 HydrophobicContact CD1-CE2 3.72Å; L663-Y717 HydrophobicContact CD1-CG 4.42Å; L663-Y717 HydrophobicContact CG-CE1 4.41Å
664	S	96.3	Very high	80.8	Confident	22 Å²	22	61.7 Å²	61.7	15%	0.154	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-33.7	-178.1	-61.6	0	0	0	0	112.4	E662 Y684 F716 T718	E662-S664 PolarHBondContact O-N 3.02Å; S664-Y684 PolarHBondContact O-N 2.81Å; S664-F716 PolarHBondContact N-O 3.18Å; S664-T718 VanDerWaalsContact OG-CB 3.24Å; S664-T718 WeakPolarHBondContact OG-CB 3.11Å; S664-T718 PolarHBondContact OG-OG1 3.26Å
665	A	98.1	Very high	81.9	Confident	1 Å²	1	59 Å²	59	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	157.5	176.6	0	0	0	0	0	113.7	V341 Y682 F716	V341-A665 HydrophobicContact CB-CB 4.26Å; V341-A665 HydrophobicContact CG1-CB 3.71Å; V341-A665 HydrophobicContact CG2-CB 3.79Å; A665-Y682 CarbonylContact C-O 3.48Å; A665-Y682 WeakPolarHBondContact CA-O 3.45Å; A665-Y682 WeakPolarHBondContact CB-O 3.23Å; A665-F716 HydrophobicContact CB-CB 4.05Å; A665-F716 HydrophobicContact CB-CD2 4.25Å; A665-F716 HydrophobicContact CB-CG 4.36Å; A665-F716 PolarHBondContact N-O 3.48Å; A665-F716 PolarHBondContact O-N 3.05Å
666	V	98.4	Very high	83.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	119.7	176	-173.6	0	0	0	0	109.5	F632 L663 M668 A681 Y682 V707 A712 I714 L715	F632-V666 HydrophobicContact CE2-CG2 4.02Å; F632-V666 HydrophobicContact CZ-CG1 4.28Å; F632-V666 HydrophobicContact CZ-CG2 4.22Å; L663-V666 HydrophobicContact CD1-CG2 4.04Å; L663-V666 HydrophobicContact CD2-CG2 3.8Å; L663-V666 HydrophobicContact CG-CG2 4.22Å; V666-M668 HydrophobicContact CG1-CG 4.39Å; V666-A681 CarbonylContact O-C 3.45Å; V666-A681 VanDerWaalsContact O-CA 3.25Å; V666-A681 WeakPolarHBondContact O-CA 3.35Å; V666-Y682 PolarHBondContact N-O 3.03Å; V666-Y682 PolarHBondContact O-N 2.82Å; V666-V707 HydrophobicContact CB-CG1 4.39Å; V666-V707 HydrophobicContact CG2-CG1 3.56Å; V666-A712 HydrophobicContact CG1-CB 3.54Å; V666-I714 WeakPolarHBondContact CA-O 3.19Å; V666-L715 HydrophobicContact CB-CD2 4.5Å; V666-L715 HydrophobicContact CG1-CD2 4.03Å; V666-L715 HydrophobicContact CG2-CD2 3.91Å
667	V	98.4	Very high	84.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134	169.1	179.6	0	0	0	0	108.2	I338 V341 A462 Y679 Y713 I714 F716	I338-V667 HydrophobicContact CD1-CG2 4.11Å; V341-V667 HydrophobicContact CG2-CG2 3.75Å; A462-V667 HydrophobicContact CB-CG1 4.42Å; V667-Y679 HydrophobicContact CG1-CD1 3.96Å; V667-Y713 WeakPolarHBondContact O-CA 3.47Å; V667-Y713 WeakPolarHBondContact O-CB 3.31Å; V667-Y713 PolarHBondContact O-N 3.43Å; V667-I714 HydrophobicContact CB-CB 4.05Å; V667-I714 HydrophobicContact CB-CD1 4.48Å; V667-I714 HydrophobicContact CB-CG1 4.38Å; V667-I714 HydrophobicContact CG2-CB 4.33Å; V667-I714 PolarHBondContact N-O 3.02Å; V667-I714 PolarHBondContact O-N 3.48Å; V667-F716 HydrophobicContact CG2-CE2 3.89Å
668	M	96.2	Very high	86.7	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	150.8	176.7	-62.2	157.7	-82.7	0	0	110.1	V666 Y679 T680 Y682 A710	V666-M668 HydrophobicContact CG1-CG 4.39Å; M668-Y679 VanDerWaalsContact O-CA 3.3Å; M668-Y679 WeakPolarHBondContact O-CA 3.3Å; M668-Y679 WeakPolarHBondContact O-CD1 3.33Å; M668-T680 WeakPolarHBondContact CE-OG1 3.31Å; M668-T680 PolarHBondContact N-O 3Å; M668-T680 PolarHBondContact O-N 2.79Å; M668-T680 VanDerWaalsContact O-N 3.12Å; M668-Y682 HydrophobicContact CE-CD2 3.16Å; M668-Y682 HydrophobicContact CE-CE2 3.3Å; M668-Y682 HydrophobicContact CE-CG 3.9Å; M668-Y682 HydrophobicContact SD-CD2 3.62Å; M668-Y682 HydrophobicContact SD-CE2 3.29Å; M668-Y682 WeakPolarHBondContact SD-CE2 3.44Å; M668-A710 HydrophobicContact CG-CB 4.09Å; M668-A710 HydrophobicContact SD-CB 3.76Å
669	H	94.2	Very high	87.9	Confident	6 Å²	6	41.8 Å²	41.8	3%	0.028	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	121	169.1	179.8	-114.6	0	0	0	109.2	F615 K625 G673 G677 Y679 Y713	F615-H669 AromaticContact CE1-ND1 3.96Å; F615-H669 AromaticContact CZ-CE1 3.63Å; F615-H669 AromaticContact CZ-ND1 3.37Å; F615-H669 WeakPolarHBondContact CZ-ND1 3.48Å; K625-H669 PolarHBondContact NZ-ND1 2.84Å; K625-H669 PolarHBondContact NZ-O 3.37Å; H669-G673 PolarHBondContact CE1-O 2.91Å; H669-G677 WeakPolarHBondContact NE2-CA 3.42Å; H669-Y679 HydrophobicContact CB-CD1 3.99Å; H669-Y679 HydrophobicContact CB-CE1 3.69Å; H669-Y679 AromaticContact CD2-CD2 3.87Å; H669-Y679 AromaticContact CD2-CE1 3.74Å; H669-Y679 AromaticContact CD2-CE2 3.55Å; H669-Y679 AromaticContact CD2-CZ 3.48Å; H669-Y679 VanDerWaalsContact CD2-CZ 3.48Å; H669-Y679 AromaticContact CG-CE1 3.96Å; H669-Y713 HydrophobicContact CB-CG 4.47Å
670	H	90.4	Very high	88.3	Confident	82 Å²	82	39.6 Å²	39.6	38%	0.38	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	148	173	-55.4	-72.9	0	0	0	109.7	G677 H678 T680	H670-G677 CarbonylContact O-C 3.41Å; H670-G677 WeakPolarHBondContact O-CA 3.45Å; H670-H678 HydrophobicContact CB-CB 4.37Å; H670-H678 PolarHBondContact CD2-O 3.44Å; H670-H678 VanDerWaalsContact CD2-O 3.3Å; H670-H678 PolarHBondContact N-O 3.36Å; H670-H678 PolarHBondContact O-N 2.9Å; H670-T680 PolarHBondContact NE2-OG1 2.93Å
671	G	85.4	Confident	88.6	Confident	42 Å²	42	35.5 Å²	35.5	43%	0.433	21%	0.211	S	C	.	.	S	Bend	trans	109	165.1	-179.9	0	0	0	0	0	113.9	K625	K625-G671 WeakPolarHBondContact CD-O 3.22Å; K625-G671 PolarHBondContact NZ-O 2.86Å
672	K	73.1	Confident	88.8	Confident	200 Å²	200	36.2 Å²	36.2	87%	0.87	21%	0.214	S	C	*	.	S	Bend	trans	-91.7	-19	-169.9	-67.5	-176.1	178.7	178.7	0	114
673	G	68	Low	89	Confident	20 Å²	20	33 Å²	33	21%	0.206	20%	0.199	C	C	.	.	S	Bend	trans	-139.7	173.3	-169.7	0	0	0	0	0	114	H669 S676	H669-G673 PolarHBondContact CE1-O 2.91Å; G673-S676 VanDerWaalsContact O-O 3.11Å
674	F	63.3	Low	88.9	Confident	79 Å²	79	36.5 Å²	36.5	35%	0.346	21%	0.213	S	C	.	.	S	Bend	trans	-75.1	-35.1	-179.5	176.9	-91.9	0	0	0	113.4
675	G	64.6	Low	88.8	Confident	65 Å²	65	35.4 Å²	35.4	67%	0.67	21%	0.205	S	C	*	.	S	Bend	trans	-92.6	3.6	-178.7	0	0	0	0	0	114.8
676	S	74.6	Confident	88.3	Confident	73 Å²	73	38.3 Å²	38.3	51%	0.51	22%	0.223	S	C	.	.	S	Bend	trans	-154.4	113.2	-179.9	68.5	0	0	0	0	110.4	Q459 G673	Q459-S676 VanDerWaalsContact OE1-N 3.13Å; G673-S676 VanDerWaalsContact O-O 3.11Å
677	G	86.1	Confident	87.7	Confident	20 Å²	20	43.6 Å²	43.6	21%	0.206	25%	0.248	C	C	.	.			trans	-178.6	-170.4	177.5	0	0	0	0	0	112.2	Q459 H669 H670	Q459-G677 PolarHBondContact NE2-O 3.14Å; H669-G677 WeakPolarHBondContact NE2-CA 3.42Å; H670-G677 CarbonylContact O-C 3.41Å; H670-G677 WeakPolarHBondContact O-CA 3.45Å
678	H	94.1	Very high	86.9	Confident	49 Å²	49	45.1 Å²	45.1	23%	0.227	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	129.9	-177.6	-175	55.4	0	0	0	110.6	C333 H670 N695 D696	C333-H678 VanDerWaalsContact CB-CE1 3.44Å; C333-H678 WeakPolarHBondContact CB-CE1 3.34Å; C333-H678 WeakPolarHBondContact CB-ND1 3.47Å; C333-H678 PolarHBondContact SG-ND1 3.48Å; C333-H678 VanDerWaalsContact SG-ND1 3.37Å; H670-H678 HydrophobicContact CB-CB 4.37Å; H670-H678 PolarHBondContact CD2-O 3.44Å; H670-H678 VanDerWaalsContact CD2-O 3.3Å; H670-H678 PolarHBondContact N-O 3.36Å; H670-H678 PolarHBondContact O-N 2.9Å; H678-N695 PolarHBondContact NE2-OD1 3.15Å; H678-D696 IonicContact CE1-OD2 2.74Å; H678-D696 PolarHBondContact CE1-OD2 3Å; H678-D696 VanDerWaalsContact CE1-OD2 3.26Å
679	Y	97.2	Very high	86.6	Confident	11 Å²	11	47.1 Å²	47.1	4%	0.043	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	135.7	177.8	-72.1	-87.8	0	0	0	111	C333 Q460 A462 V667 M668 H669 Y713	C333-Y679 PolarHBondContact SG-N 2.95Å; C333-Y679 VanDerWaalsContact SG-N 3.45Å; Q460-Y679 WeakPolarHBondContact O-CE2 3.4Å; A462-Y679 HydrophobicContact CB-CD1 3.72Å; A462-Y679 HydrophobicContact CB-CE1 3.48Å; A462-Y679 VanDerWaalsContact CB-CE1 3.48Å; A462-Y679 HydrophobicContact CB-CE2 4.42Å; A462-Y679 HydrophobicContact CB-CG 4.29Å; V667-Y679 HydrophobicContact CG1-CD1 3.96Å; M668-Y679 VanDerWaalsContact O-CA 3.3Å; M668-Y679 WeakPolarHBondContact O-CA 3.3Å; M668-Y679 WeakPolarHBondContact O-CD1 3.33Å; H669-Y679 HydrophobicContact CB-CD1 3.99Å; H669-Y679 HydrophobicContact CB-CE1 3.69Å; H669-Y679 AromaticContact CD2-CD2 3.87Å; H669-Y679 AromaticContact CD2-CE1 3.74Å; H669-Y679 AromaticContact CD2-CE2 3.55Å; H669-Y679 AromaticContact CD2-CZ 3.48Å; H669-Y679 VanDerWaalsContact CD2-CZ 3.48Å; H669-Y679 AromaticContact CG-CE1 3.96Å; Y679-Y713 AromaticContact CE1-CD1 3.7Å; Y679-Y713 HydrophobicContact CE1-CD1 3.7Å; Y679-Y713 AromaticContact CE1-CE1 3.91Å; Y679-Y713 HydrophobicContact CE1-CE1 3.91Å
680	T	97.9	Very high	86.6	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	164.5	169	65.4	0	0	0	0	109.5	M668 H670 H693 N695	M668-T680 WeakPolarHBondContact CE-OG1 3.31Å; M668-T680 PolarHBondContact N-O 3Å; M668-T680 PolarHBondContact O-N 2.79Å; M668-T680 VanDerWaalsContact O-N 3.12Å; H670-T680 PolarHBondContact NE2-OG1 2.93Å; T680-H693 WeakPolarHBondContact CB-NE2 3.36Å; T680-H693 PolarHBondContact OG1-NE2 3.14Å; T680-N695 HydrophobicContact CG2-CB 3.88Å
681	A	98.6	Very high	86.9	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.3	178.7	0	0	0	0	0	111.5	V341 V666 H693 C694	V341-A681 HydrophobicContact CG2-CB 3.99Å; V666-A681 CarbonylContact O-C 3.45Å; V666-A681 VanDerWaalsContact O-CA 3.25Å; V666-A681 WeakPolarHBondContact O-CA 3.35Å; A681-H693 CarbonylContact O-C 3.55Å; A681-C694 HydrophobicContact CB-CB 4.49Å; A681-C694 PolarHBondContact N-O 3.22Å; A681-C694 PolarHBondContact O-N 3.37Å
682	Y	98.5	Very high	87.4	Confident	15 Å²	15	44.1 Å²	44.1	6%	0.059	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.1	159.7	-70.9	-70.2	0	0	0	108.2	A665 V666 M668 V692 H693 C702 E706 V707 A710	A665-Y682 CarbonylContact C-O 3.48Å; A665-Y682 WeakPolarHBondContact CA-O 3.45Å; A665-Y682 WeakPolarHBondContact CB-O 3.23Å; V666-Y682 PolarHBondContact N-O 3.03Å; V666-Y682 PolarHBondContact O-N 2.82Å; M668-Y682 HydrophobicContact CE-CD2 3.16Å; M668-Y682 HydrophobicContact CE-CE2 3.3Å; M668-Y682 HydrophobicContact CE-CG 3.9Å; M668-Y682 HydrophobicContact SD-CD2 3.62Å; M668-Y682 HydrophobicContact SD-CE2 3.29Å; M668-Y682 WeakPolarHBondContact SD-CE2 3.44Å; Y682-V692 CarbonylContact C-O 3.58Å; Y682-V692 WeakPolarHBondContact CA-O 3.35Å; Y682-H693 HydrophobicContact CD1-CB 3.68Å; Y682-H693 AromaticContact CD1-CG 3.98Å; Y682-H693 HydrophobicContact CE1-CB 3.44Å; Y682-H693 VanDerWaalsContact CE1-CB 3.44Å; Y682-H693 AromaticContact CE1-CD2 3.93Å; Y682-H693 AromaticContact CE1-CG 3.53Å; Y682-C702 HydrophobicContact CD1-CB 4.45Å; Y682-C702 WeakPolarHBondContact CD1-SG 3.27Å; Y682-C702 HydrophobicContact CE1-CB 4.01Å; Y682-C702 VanDerWaalsContact CE1-SG 3.53Å; Y682-E706 PolarHBondContact OH-OE1 2.93Å; Y682-V707 HydrophobicContact CD1-CG2 3.86Å; Y682-V707 HydrophobicContact CD2-CG1 4.32Å; Y682-V707 HydrophobicContact CD2-CG2 4.3Å; Y682-V707 HydrophobicContact CE1-CG2 4.39Å; Y682-V707 HydrophobicContact CG-CB 4.43Å; Y682-V707 HydrophobicContact CG-CG1 4.28Å; Y682-V707 HydrophobicContact CG-CG2 3.8Å; Y682-A710 HydrophobicContact CD2-CB 4.06Å; Y682-A710 HydrophobicContact CE2-CB 3.74Å
683	C	97.9	Very high	88.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.1	179.1	-61.5	0	0	0	0	110.2	H344 W691 V692	H344-C683 HydrophobicContact CB-CB 3.82Å; H344-C683 VanDerWaalsContact CG-CB 3.47Å; C683-W691 VanDerWaalsContact C-CE3 3.49Å; C683-V692 PolarHBondContact N-O 3.14Å; C683-V692 PolarHBondContact O-N 3.18Å
684	Y	96.8	Very high	90	Very high	74 Å²	74	35.3 Å²	35.3	29%	0.29	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120	171	-172.9	-110.2	0	0	0	110.1	S664 T686 W691	S664-Y684 PolarHBondContact O-N 2.81Å; Y684-T686 HydrophobicContact CD1-CG2 4.08Å; Y684-T686 HydrophobicContact CE1-CG2 4.35Å; Y684-T686 PolarHBondContact O-N 3.02Å; Y684-W691 AromaticContact CD2-CD1 3.78Å; Y684-W691 HydrophobicContact CD2-CD2 4.1Å; Y684-W691 AromaticContact CD2-CE2 3.82Å; Y684-W691 HydrophobicContact CD2-CG 4.08Å; Y684-W691 HydrophobicContact CD2-CZ2 4.41Å; Y684-W691 AromaticContact CD2-NE1 3.6Å
685	N	93.4	Very high	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	107	175.2	-172.4	-29.6	0	0	0	109.5	P321 E687 G688 G689 F690 V692	P321-N685 PolarHBondContact O-ND2 3.48Å; N685-E687 VanDerWaalsContact C-N 3.32Å; N685-E687 PolarHBondContact O-N 2.86Å; N685-E687 PolarHBondContact OD1-N 3.07Å; N685-G688 PolarHBondContact O-N 2.88Å; N685-G688 PolarHBondContact OD1-N 3.11Å; N685-G689 WeakPolarHBondContact O-CA 3.39Å; N685-G689 PolarHBondContact O-N 3.4Å; N685-F690 HydrophobicContact CB-CD2 4.49Å; N685-F690 HydrophobicContact CB-CE2 4.35Å; N685-F690 WeakPolarHBondContact CB-O 3.45Å; N685-F690 PolarHBondContact N-O 3.1Å; N685-V692 HydrophobicContact CB-CG2 4.34Å
686	T	88.1	Confident	93.1	Very high	61 Å²	61	31.9 Å²	31.9	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.2	-178.8	46.9	0	0	0	0	114.4	H346 R349 Y684	H346-T686 HydrophobicContact CB-CG2 4.43Å; R349-T686 PolarHBondContact NH1-OG1 3.33Å; Y684-T686 HydrophobicContact CD1-CG2 4.08Å; Y684-T686 HydrophobicContact CE1-CG2 4.35Å; Y684-T686 PolarHBondContact O-N 3.02Å
687	E	83.9	Confident	94	Very high	112 Å²	112	31 Å²	31	52%	0.523	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-35.2	176	-66	-174.4	-168	0	0	111.7	P321 W431 N685	P321-E687 VanDerWaalsContact CB-OE2 3.29Å; P321-E687 WeakPolarHBondContact CB-OE2 3.23Å; W431-E687 HydrophobicContact CE3-CG 4.43Å; W431-E687 HydrophobicContact CZ3-CB 4.21Å; W431-E687 HydrophobicContact CZ3-CG 3.89Å; N685-E687 VanDerWaalsContact C-N 3.32Å; N685-E687 PolarHBondContact O-N 2.86Å; N685-E687 PolarHBondContact OD1-N 3.07Å
688	G	82.4	Confident	94.3	Very high	32 Å²	32	36.9 Å²	36.9	33%	0.33	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-26.7	178.7	0	0	0	0	0	114.3	N685 F690	N685-G688 PolarHBondContact O-N 2.88Å; N685-G688 PolarHBondContact OD1-N 3.11Å; G688-F690 VanDerWaalsContact C-CD1 3.43Å; G688-F690 VanDerWaalsContact CA-CE1 3.43Å; G688-F690 WeakPolarHBondContact O-CD1 3.4Å
689	G	90.5	Very high	94.2	Very high	47 Å²	47	36 Å²	36	49%	0.485	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	27.3	-174.2	0	0	0	0	0	114	N685	N685-G689 WeakPolarHBondContact O-CA 3.39Å; N685-G689 PolarHBondContact O-N 3.4Å
690	F	93.6	Very high	94	Very high	54 Å²	54	40.3 Å²	40.3	24%	0.237	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159	-178.1	56.4	-101.1	0	0	0	112.6	T320 V323 N685 G688 V692 V701	T320-F690 HydrophobicContact CG2-CE1 4.42Å; T320-F690 HydrophobicContact CG2-CZ 4.05Å; V323-F690 HydrophobicContact CG2-CE2 4.13Å; V323-F690 HydrophobicContact CG2-CZ 4.1Å; N685-F690 HydrophobicContact CB-CD2 4.49Å; N685-F690 HydrophobicContact CB-CE2 4.35Å; N685-F690 WeakPolarHBondContact CB-O 3.45Å; N685-F690 PolarHBondContact N-O 3.1Å; G688-F690 VanDerWaalsContact C-CD1 3.43Å; G688-F690 VanDerWaalsContact CA-CE1 3.43Å; G688-F690 WeakPolarHBondContact O-CD1 3.4Å; F690-V692 HydrophobicContact CD2-CG2 3.56Å; F690-V692 HydrophobicContact CE2-CG2 3.38Å; F690-V701 HydrophobicContact CB-CG1 4.25Å; F690-V701 HydrophobicContact CD2-CG1 4.06Å; F690-V701 HydrophobicContact CD2-CG2 3.92Å; F690-V701 HydrophobicContact CE2-CG2 3.91Å; F690-V701 HydrophobicContact CG-CG1 4.32Å
691	W	96.9	Very high	93.8	Very high	12 Å²	12	45.1 Å²	45.1	5%	0.045	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	140.6	174.5	-75.7	92.3	0	0	0	111.7	L663 C683 Y684 V701 C702 V707	L663-W691 HydrophobicContact CB-CH2 4.32Å; L663-W691 HydrophobicContact CB-CZ2 4.35Å; L663-W691 HydrophobicContact CD2-CH2 3.9Å; L663-W691 HydrophobicContact CD2-CZ2 4.17Å; L663-W691 HydrophobicContact CG-CH2 3.81Å; L663-W691 HydrophobicContact CG-CZ2 4.26Å; L663-W691 WeakPolarHBondContact O-CH2 3.3Å; L663-W691 VanDerWaalsContact O-CZ2 3.25Å; L663-W691 WeakPolarHBondContact O-CZ2 3.4Å; C683-W691 VanDerWaalsContact C-CE3 3.49Å; Y684-W691 AromaticContact CD2-CD1 3.78Å; Y684-W691 HydrophobicContact CD2-CD2 4.1Å; Y684-W691 AromaticContact CD2-CE2 3.82Å; Y684-W691 HydrophobicContact CD2-CG 4.08Å; Y684-W691 HydrophobicContact CD2-CZ2 4.41Å; Y684-W691 AromaticContact CD2-NE1 3.6Å; W691-V701 WeakPolarHBondContact O-CA 3.21Å; W691-C702 VanDerWaalsContact C-SG 3.56Å; W691-C702 WeakPolarHBondContact CB-O 3.13Å; W691-C702 VanDerWaalsContact CB-SG 3.54Å; W691-C702 PolarHBondContact O-N 2.95Å; W691-C702 PolarHBondContact O-SG 3.35Å; W691-V707 HydrophobicContact CB-CG2 4.19Å; W691-V707 HydrophobicContact CD2-CG2 3.77Å; W691-V707 HydrophobicContact CE3-CG1 4.14Å; W691-V707 HydrophobicContact CE3-CG2 3.72Å; W691-V707 HydrophobicContact CG-CG2 3.99Å; W691-V707 HydrophobicContact CH2-CG1 4.2Å; W691-V707 HydrophobicContact CZ3-CG1 3.94Å; W691-V707 HydrophobicContact CZ3-CG2 4.37Å
692	V	96.2	Very high	93.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.3	178.1	-173.3	0	0	0	0	110.1	V323 Y682 C683 N685 F690 L699 N700	V323-V692 HydrophobicContact CG2-CG2 4.49Å; Y682-V692 CarbonylContact C-O 3.58Å; Y682-V692 WeakPolarHBondContact CA-O 3.35Å; C683-V692 PolarHBondContact N-O 3.14Å; C683-V692 PolarHBondContact O-N 3.18Å; N685-V692 HydrophobicContact CB-CG2 4.34Å; F690-V692 HydrophobicContact CD2-CG2 3.56Å; F690-V692 HydrophobicContact CE2-CG2 3.38Å; V692-L699 HydrophobicContact CG1-CB 3.88Å; V692-L699 HydrophobicContact CG1-CD2 3.92Å; V692-L699 HydrophobicContact CG1-CG 3.88Å; V692-N700 CarbonylContact C-O 3.57Å; V692-N700 WeakPolarHBondContact CA-O 3.35Å
693	H	97.8	Very high	93.5	Very high	32 Å²	32	47.9 Å²	47.9	15%	0.148	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	109.6	167.7	-172.1	-168.1	0	0	0	109.8	T680 A681 Y682 L699 N700	T680-H693 WeakPolarHBondContact CB-NE2 3.36Å; T680-H693 PolarHBondContact OG1-NE2 3.14Å; A681-H693 CarbonylContact O-C 3.55Å; Y682-H693 HydrophobicContact CD1-CB 3.68Å; Y682-H693 AromaticContact CD1-CG 3.98Å; Y682-H693 HydrophobicContact CE1-CB 3.44Å; Y682-H693 VanDerWaalsContact CE1-CB 3.44Å; Y682-H693 AromaticContact CE1-CD2 3.93Å; Y682-H693 AromaticContact CE1-CG 3.53Å; H693-L699 VanDerWaalsContact O-CA 3.32Å; H693-L699 WeakPolarHBondContact O-CA 3.42Å; H693-N700 PolarHBondContact N-O 3.03Å; H693-N700 PolarHBondContact O-N 2.88Å; H693-N700 VanDerWaalsContact O-N 3.07Å
694	C	97.5	Very high	93.4	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.02	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.2	176.4	-57.2	0	0	0	0	110.2	Q340 A681 L699	Q340-C694 HydrophobicContact CB-CB 4.17Å; Q340-C694 HydrophobicContact CG-CB 3.86Å; A681-C694 HydrophobicContact CB-CB 4.49Å; A681-C694 PolarHBondContact N-O 3.22Å; A681-C694 PolarHBondContact O-N 3.37Å; C694-L699 HydrophobicContact CB-CG 4.46Å
695	N	96.9	Very high	93.3	Very high	55 Å²	55	51 Å²	51	29%	0.294	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	84.6	173.9	-178.2	-0.4	0	0	0	109.3	H678 T680 S697 K698	H678-N695 PolarHBondContact NE2-OD1 3.15Å; T680-N695 HydrophobicContact CG2-CB 3.88Å; N695-S697 PolarHBondContact O-N 3.21Å; N695-K698 CarbonylContact C-O 3.52Å; N695-K698 PolarHBondContact N-O 3.27Å; N695-K698 PolarHBondContact O-N 3.22Å
696	D	96.5	Very high	93.4	Very high	18 Å²	18	54.5 Å²	54.5	10%	0.096	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	-109.9	-172.7	-68.7	-32.6	0	0	0	111.7	G325 L326 N328 N336 H678 K698	G325-D696 CarbonylContact C-O 3.56Å; G325-D696 WeakPolarHBondContact CA-O 3.43Å; L326-D696 PolarHBondContact N-O 3.12Å; L326-D696 CarbonylContact O-C 3.56Å; L326-D696 WeakPolarHBondContact O-CA 3.36Å; L326-D696 WeakPolarHBondContact O-CB 3.41Å; N328-D696 HydrophobicContact CB-CB 4.33Å; N328-D696 WeakPolarHBondContact CB-OD2 2.97Å; N328-D696 PolarHBondContact ND2-OD2 3.26Å; N336-D696 WeakPolarHBondContact CB-OD1 3.21Å; N336-D696 PolarHBondContact ND2-OD1 3Å; H678-D696 IonicContact CE1-OD2 2.74Å; H678-D696 PolarHBondContact CE1-OD2 3Å; H678-D696 VanDerWaalsContact CE1-OD2 3.26Å; D696-K698 VanDerWaalsContact C-N 3.3Å; D696-K698 PolarHBondContact O-N 3.21Å
697	S	93.2	Very high	93.8	Very high	53 Å²	53	51.6 Å²	51.6	37%	0.371	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.5	-177.5	56.4	0	0	0	0	113.8	L326 L437 N695	L326-S697 PolarHBondContact O-N 2.95Å; L437-S697 VanDerWaalsContact CD1-CB 3.42Å; N695-S697 PolarHBondContact O-N 3.21Å
698	K	91.9	Very high	94.4	Very high	145 Å²	145	47.6 Å²	47.6	63%	0.63	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.9	-174.4	-63.4	-179.1	-178.7	177.8	0	110.3	N695 D696	N695-K698 CarbonylContact C-O 3.52Å; N695-K698 PolarHBondContact N-O 3.27Å; N695-K698 PolarHBondContact O-N 3.22Å; D696-K698 VanDerWaalsContact C-N 3.3Å; D696-K698 PolarHBondContact O-N 3.21Å
699	L	92.8	Very high	94.9	Very high	31 Å²	31	53.8 Å²	53.8	16%	0.162	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130	174.3	-85.3	68.2	0	0	0	109.8	V323 V692 H693 C694	V323-L699 HydrophobicContact CB-CD2 4.33Å; V323-L699 HydrophobicContact CG1-CB 4.06Å; V323-L699 HydrophobicContact CG1-CD2 3.84Å; V692-L699 HydrophobicContact CG1-CB 3.88Å; V692-L699 HydrophobicContact CG1-CD2 3.92Å; V692-L699 HydrophobicContact CG1-CG 3.88Å; H693-L699 VanDerWaalsContact O-CA 3.32Å; H693-L699 WeakPolarHBondContact O-CA 3.42Å; C694-L699 HydrophobicContact CB-CG 4.46Å
700	N	93.1	Very high	95.1	Very high	101 Å²	101	52 Å²	52	54%	0.54	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139	177.3	-63.6	-41.4	0	0	0	109.9	V692 H693	V692-N700 CarbonylContact C-O 3.57Å; V692-N700 WeakPolarHBondContact CA-O 3.35Å; H693-N700 PolarHBondContact N-O 3.03Å; H693-N700 PolarHBondContact O-N 2.88Å; H693-N700 VanDerWaalsContact O-N 3.07Å
701	V	93.8	Very high	95.1	Very high	101 Å²	101	52.3 Å²	52.3	61%	0.612	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	142.7	170.3	-179.4	0	0	0	0	109.1	F690 W691	F690-V701 HydrophobicContact CB-CG1 4.25Å; F690-V701 HydrophobicContact CD2-CG1 4.06Å; F690-V701 HydrophobicContact CD2-CG2 3.92Å; F690-V701 HydrophobicContact CE2-CG2 3.91Å; F690-V701 HydrophobicContact CG-CG1 4.32Å; W691-V701 WeakPolarHBondContact O-CA 3.21Å
702	C	94.8	Very high	95	Very high	17 Å²	17	51.8 Å²	51.8	12%	0.115	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	166.5	-178.3	56.1	0	0	0	0	111.3	Y682 W691 E706	Y682-C702 HydrophobicContact CD1-CB 4.45Å; Y682-C702 WeakPolarHBondContact CD1-SG 3.27Å; Y682-C702 HydrophobicContact CE1-CB 4.01Å; Y682-C702 VanDerWaalsContact CE1-SG 3.53Å; W691-C702 VanDerWaalsContact C-SG 3.56Å; W691-C702 WeakPolarHBondContact CB-O 3.13Å; W691-C702 VanDerWaalsContact CB-SG 3.54Å; W691-C702 PolarHBondContact O-N 2.95Å; W691-C702 PolarHBondContact O-SG 3.35Å; C702-E706 WeakPolarHBondContact CB-OE2 3.46Å
703	S	95.9	Very high	95.1	Very high	56 Å²	56	51.9 Å²	51.9	39%	0.392	27%	0.27	S	S	.	.			trans	-92	154.3	177.4	63.6	0	0	0	0	111.2	D705 E706 V707	S703-D705 PolarHBondContact O-N 3.46Å; S703-E706 WeakPolarHBondContact O-CB 3.35Å; S703-E706 PolarHBondContact O-N 3.39Å; S703-E706 VanDerWaalsContact O-N 3.08Å; S703-E706 PolarHBondContact OG-N 2.95Å; S703-V707 WeakPolarHBondContact O-CG2 3.45Å; S703-V707 PolarHBondContact O-N 2.78Å
704	V	94.9	Very high	95.1	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.248	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-34.3	174.8	65.7	0	0	0	0	112.2	Q634 E706 V707 C708	Q634-V704 HydrophobicContact CB-CG2 4.17Å; Q634-V704 HydrophobicContact CG-CG2 4.36Å; V704-E706 VanDerWaalsContact C-N 3.29Å; V704-E706 PolarHBondContact O-N 2.82Å; V704-V707 WeakPolarHBondContact O-CA 3.45Å; V704-V707 WeakPolarHBondContact O-CB 3.45Å; V704-V707 PolarHBondContact O-N 3.18Å; V704-V707 VanDerWaalsContact O-N 3.08Å; V704-C708 PolarHBondContact O-N 3.36Å
705	D	95.5	Very high	95.1	Very high	100 Å²	100	50.3 Å²	50.3	54%	0.535	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-35.2	177.4	-61	-33.9	0	0	0	112.4	S703 R709	S703-D705 PolarHBondContact O-N 3.46Å; D705-R709 WeakPolarHBondContact O-CG 3.34Å; D705-R709 VanDerWaalsContact O-CZ 3.24Å; D705-R709 PolarHBondContact O-N 2.94Å; D705-R709 PolarHBondContact O-NE 3.45Å; D705-R709 PolarHBondContact O-NH1 3.48Å
706	E	95.4	Very high	95.2	Very high	72 Å²	72	47.7 Å²	47.7	34%	0.336	25%	0.249	S	C	.	.	H	α-helix	trans	-66.2	-41.1	173.4	-168.9	-172	147.1	0	0	111	Y682 C702 S703 V704 R709 A710	Y682-E706 PolarHBondContact OH-OE1 2.93Å; C702-E706 WeakPolarHBondContact CB-OE2 3.46Å; S703-E706 WeakPolarHBondContact O-CB 3.35Å; S703-E706 PolarHBondContact O-N 3.39Å; S703-E706 VanDerWaalsContact O-N 3.08Å; S703-E706 PolarHBondContact OG-N 2.95Å; V704-E706 VanDerWaalsContact C-N 3.29Å; V704-E706 PolarHBondContact O-N 2.82Å; E706-R709 PolarHBondContact O-N 3.18Å; E706-A710 PolarHBondContact O-N 3.41Å
707	V	96.4	Very high	95.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-47.3	177.1	-178.6	0	0	0	0	110.8	F632 L663 V666 Y682 W691 S703 V704 R709 A710	F632-V707 VanDerWaalsContact CZ-O 3.29Å; F632-V707 WeakPolarHBondContact CZ-O 2.77Å; L663-V707 HydrophobicContact CD2-CG1 3.84Å; V666-V707 HydrophobicContact CB-CG1 4.39Å; V666-V707 HydrophobicContact CG2-CG1 3.56Å; Y682-V707 HydrophobicContact CD1-CG2 3.86Å; Y682-V707 HydrophobicContact CD2-CG1 4.32Å; Y682-V707 HydrophobicContact CD2-CG2 4.3Å; Y682-V707 HydrophobicContact CE1-CG2 4.39Å; Y682-V707 HydrophobicContact CG-CB 4.43Å; Y682-V707 HydrophobicContact CG-CG1 4.28Å; Y682-V707 HydrophobicContact CG-CG2 3.8Å; W691-V707 HydrophobicContact CB-CG2 4.19Å; W691-V707 HydrophobicContact CD2-CG2 3.77Å; W691-V707 HydrophobicContact CE3-CG1 4.14Å; W691-V707 HydrophobicContact CE3-CG2 3.72Å; W691-V707 HydrophobicContact CG-CG2 3.99Å; W691-V707 HydrophobicContact CH2-CG1 4.2Å; W691-V707 HydrophobicContact CZ3-CG1 3.94Å; W691-V707 HydrophobicContact CZ3-CG2 4.37Å; S703-V707 WeakPolarHBondContact O-CG2 3.45Å; S703-V707 PolarHBondContact O-N 2.78Å; V704-V707 WeakPolarHBondContact O-CA 3.45Å; V704-V707 WeakPolarHBondContact O-CB 3.45Å; V704-V707 PolarHBondContact O-N 3.18Å; V704-V707 VanDerWaalsContact O-N 3.08Å; V707-R709 VanDerWaalsContact C-N 3.27Å; V707-R709 PolarHBondContact O-N 2.82Å; V707-A710 WeakPolarHBondContact O-CB 3.25Å; V707-A710 PolarHBondContact O-N 2.99Å
708	C	95.5	Very high	95.1	Very high	29 Å²	29	46.1 Å²	46.1	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-65.6	-26.4	178.9	-74.5	0	0	0	0	113.5	H629 F632 V704 A710	H629-C708 PolarHBondContact CE1-O 2.64Å; F632-C708 PolarHBondContact O-SG 3.22Å; F632-C708 VanDerWaalsContact O-SG 3.41Å; V704-C708 PolarHBondContact O-N 3.36Å; C708-A710 VanDerWaalsContact C-N 3.28Å; C708-A710 PolarHBondContact O-N 2.95Å
709	R	93.8	Very high	95.1	Very high	161 Å²	161	41.3 Å²	41.3	61%	0.608	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-6.5	173.8	-73.5	-172.8	-63.7	-91.8	-1.9	113.8	H629 D705 E706 V707	H629-R709 PolarHBondContact CE1-O 3.16Å; D705-R709 WeakPolarHBondContact O-CG 3.34Å; D705-R709 VanDerWaalsContact O-CZ 3.24Å; D705-R709 PolarHBondContact O-N 2.94Å; D705-R709 PolarHBondContact O-NE 3.45Å; D705-R709 PolarHBondContact O-NH1 3.48Å; E706-R709 PolarHBondContact O-N 3.18Å; V707-R709 VanDerWaalsContact C-N 3.27Å; V707-R709 PolarHBondContact O-N 2.82Å
710	A	93.9	Very high	94.6	Very high	9 Å²	9	45.9 Å²	45.9	7%	0.074	23%	0.233	C	C	.	.	S	Bend	trans	-66.8	151	-175.2	0	0	0	0	0	113.3	H629 M668 Y682 E706 V707 C708 A712	H629-A710 PolarHBondContact CE1-O 2.88Å; H629-A710 PolarHBondContact ND1-O 3.46Å; M668-A710 HydrophobicContact CG-CB 4.09Å; M668-A710 HydrophobicContact SD-CB 3.76Å; Y682-A710 HydrophobicContact CD2-CB 4.06Å; Y682-A710 HydrophobicContact CE2-CB 3.74Å; E706-A710 PolarHBondContact O-N 3.41Å; V707-A710 WeakPolarHBondContact O-CB 3.25Å; V707-A710 PolarHBondContact O-N 2.99Å; C708-A710 VanDerWaalsContact C-N 3.28Å; C708-A710 PolarHBondContact O-N 2.95Å; A710-A712 PolarHBondContact O-N 3.44Å
711	Q	93.5	Very high	93.3	Very high	62 Å²	62	45.6 Å²	45.6	29%	0.29	23%	0.234	S	C	.	.			trans	-76.7	76.6	166.8	-82.7	-109	-24.7	0	0	110.2	G627 Y713	G627-Q711 PolarHBondContact O-NE2 3.22Å; Q711-Y713 PolarHBondContact O-N 3.42Å
712	A	96.4	Very high	91.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	135.5	-178.4	0	0	0	0	0	112	L612 R614 F632 V666 A710 L715	L612-A712 HydrophobicContact CD1-CB 4.32Å; L612-A712 WeakPolarHBondContact CD1-O 3.41Å; R614-A712 PolarHBondContact NE-O 2.88Å; R614-A712 PolarHBondContact NH2-O 3.22Å; F632-A712 HydrophobicContact CD1-CB 4.21Å; F632-A712 HydrophobicContact CE1-CB 3.5Å; F632-A712 HydrophobicContact CZ-CB 3.97Å; V666-A712 HydrophobicContact CG1-CB 3.54Å; A710-A712 PolarHBondContact O-N 3.44Å; A712-L715 HydrophobicContact CB-CD1 4.46Å; A712-L715 HydrophobicContact CB-CD2 3.68Å; A712-L715 HydrophobicContact CB-CG 3.98Å
713	Y	97	Very high	88.6	Confident	3 Å²	3	52 Å²	52	1%	0.012	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-45.4	170.1	179.6	-122.9	0	0	0	110.9	D461 A462 Q463 H611 L612 R614 F615 V667 H669 Y679 Q711	D461-Y713 PolarHBondContact OD1-OH 2.82Å; D461-Y713 PolarHBondContact OD2-OH 2.89Å; A462-Y713 HydrophobicContact CB-CE1 4.39Å; Q463-Y713 HydrophobicContact CB-CE1 4.23Å; H611-Y713 AromaticContact CD2-CE2 3.87Å; H611-Y713 AromaticContact CD2-CZ 3.9Å; H611-Y713 AromaticContact NE2-CE2 3.61Å; H611-Y713 AromaticContact NE2-CZ 3.65Å; H611-Y713 PolarHBondContact NE2-OH 2.97Å; L612-Y713 PolarHBondContact N-O 3.47Å; R614-Y713 HydrophobicContact CB-CD2 4.42Å; R614-Y713 HydrophobicContact CG-CD2 4.44Å; F615-Y713 AromaticContact CD2-CE2 3.95Å; F615-Y713 HydrophobicContact CD2-CE2 3.95Å; F615-Y713 HydrophobicContact CE2-CD2 4.49Å; F615-Y713 AromaticContact CE2-CE2 3.75Å; F615-Y713 HydrophobicContact CE2-CE2 3.75Å; F615-Y713 AromaticContact CE2-CZ 3.89Å; V667-Y713 WeakPolarHBondContact O-CA 3.47Å; V667-Y713 WeakPolarHBondContact O-CB 3.31Å; V667-Y713 PolarHBondContact O-N 3.43Å; H669-Y713 HydrophobicContact CB-CG 4.47Å; Y679-Y713 AromaticContact CE1-CD1 3.7Å; Y679-Y713 HydrophobicContact CE1-CD1 3.7Å; Y679-Y713 AromaticContact CE1-CE1 3.91Å; Y679-Y713 HydrophobicContact CE1-CE1 3.91Å; Q711-Y713 PolarHBondContact O-N 3.42Å
714	I	98	Very high	85.7	Confident	2 Å²	2	54 Å²	54	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.7	173.5	-47.3	170.4	0	0	0	108.1	I338 A462 Q463 L610 V666 V667 F716	I338-I714 HydrophobicContact CD1-CD1 4.23Å; A462-I714 HydrophobicContact CB-CD1 4.48Å; Q463-I714 HydrophobicContact CB-CD1 3.86Å; Q463-I714 HydrophobicContact CB-CG1 4.5Å; L610-I714 WeakPolarHBondContact O-CA 3.4Å; V666-I714 WeakPolarHBondContact CA-O 3.19Å; V667-I714 HydrophobicContact CB-CB 4.05Å; V667-I714 HydrophobicContact CB-CD1 4.48Å; V667-I714 HydrophobicContact CB-CG1 4.38Å; V667-I714 HydrophobicContact CG2-CB 4.33Å; V667-I714 PolarHBondContact N-O 3.02Å; V667-I714 PolarHBondContact O-N 3.48Å; I714-F716 HydrophobicContact CB-CE2 3.96Å; I714-F716 HydrophobicContact CG2-CD2 4.08Å; I714-F716 HydrophobicContact CG2-CE2 3.42Å; I714-F716 VanDerWaalsContact CG2-CE2 3.42Å; I714-F716 HydrophobicContact CG2-CZ 3.89Å
715	L	98.3	Very high	82.8	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.3	175.6	-62.4	156.2	0	0	0	109.3	L555 R609 L610 L612 F632 L663 V666 A712 Y717	L555-L715 HydrophobicContact CD1-CD1 3.8Å; L555-L715 HydrophobicContact CD2-CD1 3.88Å; L555-L715 HydrophobicContact CG-CD1 4.45Å; R609-L715 WeakPolarHBondContact CA-O 3.5Å; L610-L715 HydrophobicContact CB-CB 4.24Å; L610-L715 PolarHBondContact N-O 3.32Å; L610-L715 PolarHBondContact O-N 3.24Å; L612-L715 HydrophobicContact CD1-CD1 4.45Å; F632-L715 HydrophobicContact CB-CD1 4.42Å; F632-L715 HydrophobicContact CD1-CD1 4.3Å; F632-L715 HydrophobicContact CD1-CD2 3.93Å; F632-L715 HydrophobicContact CD2-CD2 3.68Å; F632-L715 HydrophobicContact CE1-CD2 3.94Å; F632-L715 HydrophobicContact CE2-CD2 3.65Å; F632-L715 HydrophobicContact CG-CD1 4.26Å; F632-L715 HydrophobicContact CG-CD2 3.83Å; F632-L715 HydrophobicContact CZ-CD2 3.79Å; L663-L715 HydrophobicContact CD1-CD2 4.01Å; V666-L715 HydrophobicContact CB-CD2 4.5Å; V666-L715 HydrophobicContact CG1-CD2 4.03Å; V666-L715 HydrophobicContact CG2-CD2 3.91Å; A712-L715 HydrophobicContact CB-CD1 4.46Å; A712-L715 HydrophobicContact CB-CD2 3.68Å; A712-L715 HydrophobicContact CB-CG 3.98Å; L715-Y717 HydrophobicContact CB-CD2 4.15Å; L715-Y717 HydrophobicContact CB-CE2 3.82Å; L715-Y717 HydrophobicContact CD1-CE2 4.39Å
716	F	97.8	Very high	79.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.4	175.9	-66.9	-105	0	0	0	108.9	V341 L345 L466 V607 R609 S664 A665 V667 I714	V341-F716 HydrophobicContact CB-CE2 4.48Å; V341-F716 HydrophobicContact CG1-CD1 3.74Å; V341-F716 HydrophobicContact CG1-CD2 3.7Å; V341-F716 HydrophobicContact CG1-CE1 3.7Å; V341-F716 HydrophobicContact CG1-CE2 3.69Å; V341-F716 HydrophobicContact CG1-CG 3.73Å; V341-F716 HydrophobicContact CG1-CZ 3.67Å; V341-F716 HydrophobicContact CG2-CE2 4.39Å; L345-F716 HydrophobicContact CD1-CD1 4.26Å; L466-F716 HydrophobicContact CD2-CE1 4.01Å; L466-F716 HydrophobicContact CD2-CZ 3.61Å; V607-F716 HydrophobicContact CG1-CD1 4.27Å; R609-F716 HydrophobicContact CG-CD1 3.74Å; R609-F716 HydrophobicContact CG-CE1 3.72Å; S664-F716 PolarHBondContact N-O 3.18Å; A665-F716 HydrophobicContact CB-CB 4.05Å; A665-F716 HydrophobicContact CB-CD2 4.25Å; A665-F716 HydrophobicContact CB-CG 4.36Å; A665-F716 PolarHBondContact N-O 3.48Å; A665-F716 PolarHBondContact O-N 3.05Å; V667-F716 HydrophobicContact CG2-CE2 3.89Å; I714-F716 HydrophobicContact CB-CE2 3.96Å; I714-F716 HydrophobicContact CG2-CD2 4.08Å; I714-F716 HydrophobicContact CG2-CE2 3.42Å; I714-F716 VanDerWaalsContact CG2-CE2 3.42Å; I714-F716 HydrophobicContact CG2-CZ 3.89Å
717	Y	96.3	Very high	76.4	Confident	1 Å²	1	70.7 Å²	70.7	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	130.3	-178.2	-85.4	-79.8	0	0	0	108.8	L555 V607 L608 L610 D633 L636 E662 L663 L715	L555-Y717 HydrophobicContact CD2-CE2 3.96Å; V607-Y717 CarbonylContact C-O 3.54Å; V607-Y717 VanDerWaalsContact CA-O 3.28Å; V607-Y717 WeakPolarHBondContact CA-O 3.46Å; L608-Y717 PolarHBondContact N-O 3.36Å; L608-Y717 PolarHBondContact O-N 2.85Å; L610-Y717 HydrophobicContact CD1-CD2 4.02Å; L610-Y717 HydrophobicContact CD1-CE2 4.04Å; D633-Y717 PolarHBondContact O-OH 3.01Å; L636-Y717 HydrophobicContact CB-CD1 3.9Å; L636-Y717 HydrophobicContact CB-CE1 3.62Å; L636-Y717 HydrophobicContact CD2-CD1 4.37Å; L636-Y717 HydrophobicContact CD2-CD2 4.03Å; L636-Y717 HydrophobicContact CD2-CE1 4.35Å; L636-Y717 HydrophobicContact CD2-CE2 3.99Å; L636-Y717 HydrophobicContact CD2-CG 4.22Å; E662-Y717 CarbonylContact O-C 3.5Å; E662-Y717 VanDerWaalsContact O-CA 3.31Å; E662-Y717 WeakPolarHBondContact O-CA 3.35Å; L663-Y717 HydrophobicContact CB-CD1 4.17Å; L663-Y717 HydrophobicContact CB-CE1 3.78Å; L663-Y717 HydrophobicContact CD1-CD1 4.26Å; L663-Y717 HydrophobicContact CD1-CD2 4.17Å; L663-Y717 HydrophobicContact CD1-CE1 3.81Å; L663-Y717 HydrophobicContact CD1-CE2 3.72Å; L663-Y717 HydrophobicContact CD1-CG 4.42Å; L663-Y717 HydrophobicContact CG-CE1 4.41Å; L715-Y717 HydrophobicContact CB-CD2 4.15Å; L715-Y717 HydrophobicContact CB-CE2 3.82Å; L715-Y717 HydrophobicContact CD1-CE2 4.39Å
718	T	93.3	Very high	73.3	Confident	37 Å²	37	76.7 Å²	76.7	23%	0.227	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.6	175.3	-60	0	0	0	0	110.3	Q606 V607 Y661 E662 S664 R720	Q606-T718 WeakPolarHBondContact O-CA 3.35Å; V607-T718 HydrophobicContact CG2-CG2 4.46Å; Y661-T718 WeakPolarHBondContact CA-O 3.28Å; Y661-T718 VanDerWaalsContact CD1-C 3.47Å; E662-T718 PolarHBondContact N-O 3.36Å; E662-T718 PolarHBondContact O-N 2.99Å; S664-T718 VanDerWaalsContact OG-CB 3.24Å; S664-T718 WeakPolarHBondContact OG-CB 3.11Å; S664-T718 PolarHBondContact OG-OG1 3.26Å; T718-R720 PolarHBondContact O-N 3.4Å
719	Q	90.4	Very high	70.2	Confident	44 Å²	44	87.2 Å²	87.2	21%	0.206	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	130.3	178.9	-172.4	177.2	45.9	0	0	109.9	Q606 Y658 Y661 V721	Q606-Q719 WeakPolarHBondContact O-CB 3.25Å; Q606-Q719 PolarHBondContact O-N 2.77Å; Y658-Q719 PolarHBondContact O-NE2 3.04Å; Y661-Q719 HydrophobicContact CD1-CB 4.2Å; Y661-Q719 VanDerWaalsContact CD1-N 3.35Å; Y661-Q719 HydrophobicContact CE1-CB 3.68Å; Y661-Q719 HydrophobicContact CE1-CG 4.45Å; Y661-Q719 HydrophobicContact CE2-CG 4.48Å; Q719-V721 PolarHBondContact O-N 2.82Å
720	R	83.4	Confident	69.1	Low	128 Å²	128	83.5 Å²	83.5	48%	0.483	41%	0.414	S	S	.	.			trans	-75.5	109.8	178.4	-161.2	179.4	-176.2	-169.3	1.4	109.2	L660 T718 T722	L660-R720 PolarHBondContact O-N 2.91Å; T718-R720 PolarHBondContact O-N 3.4Å; R720-T722 PolarHBondContact O-N 3.17Å
721	V	65.8	Low	67.7	Low	95 Å²	95	87.4 Å²	87.4	58%	0.576	43%	0.432	S	S	*	.			trans	-83.3	102.6	170.4	-173.8	0	0	0	0	107.1	Q719 Q723	Q719-V721 PolarHBondContact O-N 2.82Å; V721-Q723 PolarHBondContact O-N 3.06Å
722	T	51.3	Low	66.3	Low	78 Å²	78	88.8 Å²	88.8	48%	0.479	44%	0.44	S	S	.	.			trans	-67.3	118.4	164.7	53.8	0	0	0	0	106.7	Y658 R720 D724	Y658-T722 VanDerWaalsContact CE1-OG1 3.25Å; Y658-T722 WeakPolarHBondContact CE1-OG1 3.33Å; R720-T722 PolarHBondContact O-N 3.17Å; T722-D724 VanDerWaalsContact C-N 3.31Å; T722-D724 PolarHBondContact O-N 3.26Å
723	Q	38.3	Very low	64.5	Low	175 Å²	175	94.1 Å²	94.1	82%	0.818	47%	0.466	S	S	*	.			trans	-59.2	100.2	165.8	-76.2	179.9	-8.6	0	0	107.2	V721 K725	V721-Q723 PolarHBondContact O-N 3.06Å; Q723-K725 PolarHBondContact O-N 2.98Å; Q723-K725 VanDerWaalsContact O-N 3.12Å
724	D	35.6	Very low	62.5	Low	97 Å²	97	99.8 Å²	99.8	52%	0.519	49%	0.494	S	S	.	.			trans	-60.2	112.5	158	-119.5	-18.3	0	0	0	104.8	K657 T722 D726	K657-D724 IonicContact NZ-OD2 3.76Å; T722-D724 VanDerWaalsContact C-N 3.31Å; T722-D724 PolarHBondContact O-N 3.26Å; D724-D726 PolarHBondContact O-N 3.25Å
725	K	32.4	Very low	60.2	Low	195 Å²	195	106.3 Å²	106.3	85%	0.848	53%	0.526	S	S	*	.	S	Bend	trans	-66.1	6.1	176.7	-81.5	-174.9	172.3	-178.2	0	113	Q723	Q723-K725 PolarHBondContact O-N 2.98Å; Q723-K725 VanDerWaalsContact O-N 3.12Å
726	D	32.1	Very low	57.4	Low	140 Å²	140	113.9 Å²	113.9	75%	0.749	56%	0.564	S	S	*	*			trans	-112.1	42.8	-169.5	-69.3	-21.8	0	0	0	114.2	D724	D724-D726 PolarHBondContact O-N 3.25Å
727	R	25.6	Very low	54.3	Low	229 Å²	229	122.6 Å²	122.6	86%	0.864	61%	0.607	S	S	*	*			trans	-135.8	115.2	158.9	-111.7	-177.3	-176.4	-162.5	-0.6	111.4
728	P	31.3	Very low	50.8	Low	126 Å²	126	132.8 Å²	132.8	82%	0.818	66%	0.657	S	S	*	*			trans	-69.3	147.8	168.5	31.1	-30.4	0	0	0	109.3
729	L	30.6	Very low	47	Very low	249 Å²	249	141.5 Å²	141.5	100%	1.304	70%	0.697	S	S	*	*			trans	-48.3	0	-171.7	-75.7	158.2	0	0	0	115.5

Retrieved 729 of 729 residues in 728.3 ms (Link to these results)

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