A0A077ZME9_TRITR Loading...

NADH-ubiquinone oxidoreductase chain 5

AlphaFold DB , UniProt , Accession A0A077ZME9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 63 aa.

						>A0A077ZME9_TRITR|A0A077ZME9
MTILPLSDPYVNFPNKLILILLSTFIVHFSLRYATSDLPVHRFMVLIVIFTTRIVIINGNDSC
					

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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	35.5	Very low	49.3	Very low	233 Å²	233	133.9 Å²	133.9	100%	1.148	73%	0.73	S	S	*	*				0	113.5	0	-163.7	148.7	-178.5	0	0	107.1
2	T	39	Very low	50.2	Low	123 Å²	123	127.1 Å²	127.1	76%	0.755	69%	0.692	S	S	*	*			trans	54.3	84.4	173.1	59.8	0	0	0	0	118.9
3	I	50.3	Low	51.3	Low	173 Å²	173	127.8 Å²	127.8	89%	0.887	69%	0.685	S	S	*	*			trans	-97.4	90.1	141.9	22.2	174.9	0	0	0	106.3
4	L	49.5	Very low	53	Low	132 Å²	132	123.4 Å²	123.4	69%	0.691	67%	0.667	S	S	*	*			trans	-64.8	125.9	163.4	-137.8	88.6	0	0	0	105.7	L6	L4-L6 PolarHBondContact O-N 2.98Å
5	P	49.4	Very low	54.5	Low	118 Å²	118	121.4 Å²	121.4	77%	0.766	66%	0.655	S	S	*	*			trans	-72.1	92.8	159.6	30.5	-24.9	0	0	0	104.5	S7	P5-S7 PolarHBondContact O-N 2.93Å
6	L	49.3	Very low	55.9	Low	122 Å²	122	119 Å²	119	64%	0.639	64%	0.637	S	S	*	*			trans	-61.2	100.9	160.8	-168.2	75.8	0	0	0	104.1	L4 D8	L4-L6 PolarHBondContact O-N 2.98Å; L6-D8 PolarHBondContact O-N 2.91Å
7	S	53.7	Low	57.3	Low	109 Å²	109	117.2 Å²	117.2	76%	0.762	63%	0.627	S	S	*	*			trans	-61.1	89.6	168.5	39.7	0	0	0	0	106.4	P5 P9	P5-S7 PolarHBondContact O-N 2.93Å; S7-P9 VanDerWaalsContact O-CD 3.26Å; S7-P9 WeakPolarHBondContact O-CD 3.1Å
8	D	51.5	Low	58.9	Low	86 Å²	86	116.4 Å²	116.4	46%	0.46	62%	0.621	S	S	.	*			trans	-56.9	115.5	-175.8	-86.6	-42.9	0	0	0	108.4	L6 Y10 V11	L6-D8 PolarHBondContact O-N 2.91Å; D8-Y10 PolarHBondContact O-N 3.36Å; D8-V11 HydrophobicContact CB-CG2 3.99Å; D8-V11 PolarHBondContact O-N 3.42Å
9	P	56.1	Low	60.4	Low	89 Å²	89	112.5 Å²	112.5	58%	0.578	60%	0.6	S	S	*	*	H	α-helix	trans	-60.5	-16.3	-177.9	23.3	-32.5	0	0	0	112.1	S7 F13	S7-P9 VanDerWaalsContact O-CD 3.26Å; S7-P9 WeakPolarHBondContact O-CD 3.1Å; P9-F13 PolarHBondContact O-N 3.28Å
10	Y	51.9	Low	61.7	Low	190 Å²	190	111.4 Å²	111.4	75%	0.745	59%	0.593	S	S	*	*	H	α-helix	trans	-75	-28.8	176.4	-69.1	-80.4	0	0	0	114.3	D8 N12 P14	D8-Y10 PolarHBondContact O-N 3.36Å; Y10-N12 VanDerWaalsContact C-N 3.35Å; Y10-P14 WeakPolarHBondContact O-CD 3.43Å
11	V	55.6	Low	63	Low	98 Å²	98	111.2 Å²	111.2	59%	0.594	59%	0.592	S	S	*	*	H	α-helix	trans	-74.8	-30.5	179	178.4	0	0	0	0	110.9	D8 P14	D8-V11 HydrophobicContact CB-CG2 3.99Å; D8-V11 PolarHBondContact O-N 3.42Å; V11-P14 WeakPolarHBondContact O-CD 3.43Å
12	N	61.2	Low	65.6	Low	52 Å²	52	104.9 Å²	104.9	28%	0.278	56%	0.562	S	S	.	*	H	α-helix	trans	-86.6	-16.5	178.6	-105	-11.3	0	0	0	114.2	Y10 K16 D61	Y10-N12 VanDerWaalsContact C-N 3.35Å; N12-K16 WeakPolarHBondContact O-CB 3.38Å; N12-K16 VanDerWaalsContact O-CG 3.29Å; N12-K16 WeakPolarHBondContact O-CG 3.4Å; N12-K16 PolarHBondContact O-N 2.99Å; N12-D61 PolarHBondContact ND2-OD2 3.45Å
13	F	64.3	Low	68.1	Low	137 Å²	137	99.7 Å²	99.7	60%	0.601	53%	0.531	S	S	*	.	H	α-helix	trans	-61.4	-49.2	178.2	-146.2	-86.6	0	0	0	114.2	P9 N15 K16 L17	P9-F13 PolarHBondContact O-N 3.28Å; F13-N15 VanDerWaalsContact C-N 3.35Å; F13-N15 PolarHBondContact O-N 3.39Å; F13-K16 PolarHBondContact O-N 3.45Å; F13-L17 HydrophobicContact CE1-CD1 4.17Å; F13-L17 WeakPolarHBondContact O-CB 3.29Å; F13-L17 PolarHBondContact O-N 2.78Å
14	P	74.4	Confident	69.9	Low	66 Å²	66	95.5 Å²	95.5	43%	0.429	51%	0.514	S	S	.	.	H	α-helix	trans	-64.3	-39.5	179	24	-32.9	0	0	0	111.7	Y10 V11 L17 I18	Y10-P14 WeakPolarHBondContact O-CD 3.43Å; V11-P14 WeakPolarHBondContact O-CD 3.43Å; P14-L17 PolarHBondContact O-N 2.92Å; P14-I18 WeakPolarHBondContact O-CB 3.46Å; P14-I18 WeakPolarHBondContact O-CD1 3.19Å; P14-I18 WeakPolarHBondContact O-CG1 3.26Å; P14-I18 PolarHBondContact O-N 3.5Å
15	N	75.9	Confident	72	Confident	93 Å²	93	95.6 Å²	95.6	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-45.1	178.1	-72.1	-23.1	0	0	0	111.7	F13 L17 I18 L19	F13-N15 VanDerWaalsContact C-N 3.35Å; F13-N15 PolarHBondContact O-N 3.39Å; N15-L17 VanDerWaalsContact C-N 3.33Å; N15-L17 PolarHBondContact O-N 2.91Å; N15-I18 PolarHBondContact O-N 3.26Å; N15-L19 VanDerWaalsContact O-CB 3.32Å; N15-L19 WeakPolarHBondContact O-CB 3.41Å; N15-L19 PolarHBondContact O-N 2.77Å
16	K	76.2	Confident	74	Confident	83 Å²	83	93.1 Å²	93.1	36%	0.361	49%	0.488	S	S	.	.	H	α-helix	trans	-61.7	-41.9	175.5	-72.7	178.8	-180	-166.7	0	111.8	N12 F13 L19 I20 G59	N12-K16 WeakPolarHBondContact O-CB 3.38Å; N12-K16 VanDerWaalsContact O-CG 3.29Å; N12-K16 WeakPolarHBondContact O-CG 3.4Å; N12-K16 PolarHBondContact O-N 2.99Å; F13-K16 PolarHBondContact O-N 3.45Å; K16-L19 PolarHBondContact O-N 3.38Å; K16-I20 VanDerWaalsContact O-CG1 3.31Å; K16-I20 WeakPolarHBondContact O-CG1 3.42Å; K16-I20 PolarHBondContact O-N 2.91Å; K16-G59 PolarHBondContact NZ-O 3.02Å
17	L	80.6	Confident	75.9	Confident	89 Å²	89	89 Å²	89	47%	0.466	47%	0.468	S	S	.	.	H	α-helix	trans	-67.3	-43.2	179.9	-160.5	124.9	0	0	0	111.9	F13 P14 N15 L19 I20 L21	F13-L17 HydrophobicContact CE1-CD1 4.17Å; F13-L17 WeakPolarHBondContact O-CB 3.29Å; F13-L17 PolarHBondContact O-N 2.78Å; P14-L17 PolarHBondContact O-N 2.92Å; N15-L17 VanDerWaalsContact C-N 3.33Å; N15-L17 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.43Å; L17-I20 PolarHBondContact O-N 2.85Å; L17-L21 HydrophobicContact CD2-CD1 3.69Å; L17-L21 HydrophobicContact CD2-CG 4.46Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 WeakPolarHBondContact O-CG 3.25Å; L17-L21 PolarHBondContact O-N 2.87Å
18	I	86.6	Confident	77.7	Confident	102 Å²	102	89.6 Å²	89.6	52%	0.523	46%	0.458	S	S	.	.	H	α-helix	trans	-58.7	-43.3	173	-70.6	162.8	0	0	0	110.1	P14 N15 L21 L22	P14-I18 WeakPolarHBondContact O-CB 3.46Å; P14-I18 WeakPolarHBondContact O-CD1 3.19Å; P14-I18 WeakPolarHBondContact O-CG1 3.26Å; P14-I18 PolarHBondContact O-N 3.5Å; N15-I18 PolarHBondContact O-N 3.26Å; I18-L21 PolarHBondContact O-N 2.7Å; I18-L22 WeakPolarHBondContact O-CB 3.48Å; I18-L22 PolarHBondContact O-N 3.29Å
19	L	86.6	Confident	79.5	Confident	42 Å²	42	91.1 Å²	91.1	22%	0.22	46%	0.461	C	S	.	.	H	α-helix	trans	-66.7	-40.1	-178.2	-145	149.4	0	0	0	111.9	N15 K16 L17 S23 I54 V55 N58	N15-L19 VanDerWaalsContact O-CB 3.32Å; N15-L19 WeakPolarHBondContact O-CB 3.41Å; N15-L19 PolarHBondContact O-N 2.77Å; K16-L19 PolarHBondContact O-N 3.38Å; L17-L19 VanDerWaalsContact C-N 3.28Å; L17-L19 PolarHBondContact O-N 3.43Å; L19-S23 VanDerWaalsContact O-CB 3.25Å; L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3.32Å; L19-S23 PolarHBondContact O-OG 3.36Å; L19-I54 HydrophobicContact CD2-CG2 3.72Å; L19-V55 HydrophobicContact CD2-CG2 3.86Å; L19-N58 HydrophobicContact CD1-CB 3.59Å
20	I	86.4	Confident	81	Confident	90 Å²	90	87.6 Å²	87.6	46%	0.462	44%	0.439	S	S	.	.	H	α-helix	trans	-65.9	-45.8	174.1	-67.5	166.3	0	0	0	111	K16 L17 S23 T24 V55	K16-I20 VanDerWaalsContact O-CG1 3.31Å; K16-I20 WeakPolarHBondContact O-CG1 3.42Å; K16-I20 PolarHBondContact O-N 2.91Å; L17-I20 PolarHBondContact O-N 2.85Å; I20-S23 PolarHBondContact O-N 3.38Å; I20-T24 WeakPolarHBondContact O-CB 3.22Å; I20-T24 PolarHBondContact O-N 2.97Å; I20-T24 PolarHBondContact O-OG1 2.82Å; I20-V55 HydrophobicContact CG1-CG1 4.34Å
21	L	89.7	Confident	82.7	Confident	109 Å²	109	82.1 Å²	82.1	57%	0.571	42%	0.422	S	S	*	.	H	α-helix	trans	-61.1	-46.9	177.6	-77.8	170.8	0	0	0	111.4	L17 I18 T24 F25	L17-L21 HydrophobicContact CD2-CD1 3.69Å; L17-L21 HydrophobicContact CD2-CG 4.46Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 WeakPolarHBondContact O-CG 3.25Å; L17-L21 PolarHBondContact O-N 2.87Å; I18-L21 PolarHBondContact O-N 2.7Å; L21-T24 PolarHBondContact O-N 2.91Å; L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 PolarHBondContact O-N 2.95Å
22	L	90.4	Very high	84.1	Confident	100 Å²	100	86.5 Å²	86.5	52%	0.524	43%	0.428	S	S	.	.	H	α-helix	trans	-62.7	-44	178	-172.2	72.8	0	0	0	111.3	I18 T24 F25 I26	I18-L22 WeakPolarHBondContact O-CB 3.48Å; I18-L22 PolarHBondContact O-N 3.29Å; L22-T24 VanDerWaalsContact C-N 3.33Å; L22-T24 PolarHBondContact O-N 2.94Å; L22-F25 WeakPolarHBondContact O-CB 3.32Å; L22-F25 PolarHBondContact O-N 3.2Å; L22-I26 HydrophobicContact CG-CD1 4.12Å; L22-I26 VanDerWaalsContact O-CG1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.42Å; L22-I26 PolarHBondContact O-N 3.41Å
23	S	89.6	Confident	85.4	Confident	13 Å²	13	91.4 Å²	91.4	9%	0.091	44%	0.444	C	S	.	.	H	α-helix	trans	-61.2	-44.1	177.1	-61.9	0	0	0	0	111.3	L19 I20 F25 I26 V27	L19-S23 VanDerWaalsContact O-CB 3.25Å; L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3.32Å; L19-S23 PolarHBondContact O-OG 3.36Å; I20-S23 PolarHBondContact O-N 3.38Å; S23-F25 VanDerWaalsContact C-N 3.35Å; S23-F25 PolarHBondContact O-N 3.14Å; S23-I26 PolarHBondContact O-N 2.92Å; S23-V27 VanDerWaalsContact O-CG2 3.31Å; S23-V27 WeakPolarHBondContact O-CG2 3.31Å; S23-V27 PolarHBondContact O-N 3.37Å; S23-V27 VanDerWaalsContact O-N 3.07Å
24	T	89.8	Confident	86.3	Confident	86 Å²	86	85.2 Å²	85.2	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-42.2	177.3	-53.3	0	0	0	0	111	I20 L21 L22 V27 H28	I20-T24 WeakPolarHBondContact O-CB 3.22Å; I20-T24 PolarHBondContact O-N 2.97Å; I20-T24 PolarHBondContact O-OG1 2.82Å; L21-T24 PolarHBondContact O-N 2.91Å; L22-T24 VanDerWaalsContact C-N 3.33Å; L22-T24 PolarHBondContact O-N 2.94Å; T24-V27 PolarHBondContact O-N 3.28Å; T24-H28 WeakPolarHBondContact O-CB 3.36Å; T24-H28 PolarHBondContact O-N 3.49Å
25	F	93.3	Very high	86.5	Confident	133 Å²	133	86.5 Å²	86.5	58%	0.583	42%	0.424	S	S	*	.	H	α-helix	trans	-60.6	-46.4	176	177.4	-98.3	0	0	0	111.9	L21 L22 S23 V27 H28 F29	L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 PolarHBondContact O-N 2.95Å; L22-F25 WeakPolarHBondContact O-CB 3.32Å; L22-F25 PolarHBondContact O-N 3.2Å; S23-F25 VanDerWaalsContact C-N 3.35Å; S23-F25 PolarHBondContact O-N 3.14Å; F25-V27 PolarHBondContact O-N 3.48Å; F25-H28 PolarHBondContact O-N 3.07Å; F25-F29 HydrophobicContact CE1-CB 4.48Å; F25-F29 VanDerWaalsContact O-CB 3.26Å; F25-F29 WeakPolarHBondContact O-CB 3.39Å; F25-F29 PolarHBondContact O-N 3.42Å
26	I	91.2	Very high	86.5	Confident	67 Å²	67	86.7 Å²	86.7	34%	0.344	43%	0.433	S	S	.	.	H	α-helix	trans	-59.4	-49.7	178.1	-69.8	164.1	0	0	0	110.3	L22 S23 H28 F29 S30	L22-I26 HydrophobicContact CG-CD1 4.12Å; L22-I26 VanDerWaalsContact O-CG1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.42Å; L22-I26 PolarHBondContact O-N 3.41Å; S23-I26 PolarHBondContact O-N 2.92Å; I26-H28 VanDerWaalsContact C-N 3.31Å; I26-H28 PolarHBondContact O-N 3.46Å; I26-F29 PolarHBondContact O-N 3.3Å; I26-S30 WeakPolarHBondContact O-CB 3.43Å; I26-S30 PolarHBondContact O-N 3.03Å; I26-S30 PolarHBondContact O-OG 2.98Å
27	V	90	Very high	86.2	Confident	35 Å²	35	87.2 Å²	87.2	21%	0.212	44%	0.439	C	S	.	.	H	α-helix	trans	-58.8	-45.2	178.8	176.9	0	0	0	0	110.7	S23 T24 F25 S30 L31 M44 I47 V48 T51	S23-V27 VanDerWaalsContact O-CG2 3.31Å; S23-V27 WeakPolarHBondContact O-CG2 3.31Å; S23-V27 PolarHBondContact O-N 3.37Å; S23-V27 VanDerWaalsContact O-N 3.07Å; T24-V27 PolarHBondContact O-N 3.28Å; F25-V27 PolarHBondContact O-N 3.48Å; V27-S30 PolarHBondContact O-N 2.96Å; V27-L31 PolarHBondContact O-N 3.42Å; V27-M44 HydrophobicContact CG1-CE 4.13Å; V27-M44 WeakPolarHBondContact O-CE 3.46Å; V27-I47 HydrophobicContact CB-CG2 4.33Å; V27-I47 HydrophobicContact CG2-CG2 3.77Å; V27-V48 HydrophobicContact CG1-CG2 4.21Å; V27-T51 HydrophobicContact CG2-CG2 4.08Å
28	H	89.9	Confident	85.9	Confident	121 Å²	121	91 Å²	91	56%	0.56	46%	0.459	S	S	*	.	H	α-helix	trans	-68.7	-41.9	-177.7	-155.1	64.4	0	0	0	112.5	T24 F25 I26 L31 R32	T24-H28 WeakPolarHBondContact O-CB 3.36Å; T24-H28 PolarHBondContact O-N 3.49Å; F25-H28 PolarHBondContact O-N 3.07Å; I26-H28 VanDerWaalsContact C-N 3.31Å; I26-H28 PolarHBondContact O-N 3.46Å; H28-L31 PolarHBondContact O-N 3.36Å; H28-R32 WeakPolarHBondContact O-CG 3.38Å; H28-R32 PolarHBondContact O-N 3.37Å
29	F	89.9	Confident	85.5	Confident	118 Å²	118	90 Å²	90	52%	0.518	46%	0.46	S	S	.	.	H	α-helix	trans	-63.2	-47	174.4	179.9	-94.2	0	0	0	111.2	F25 I26 L31 R32 Y33	F25-F29 HydrophobicContact CE1-CB 4.48Å; F25-F29 VanDerWaalsContact O-CB 3.26Å; F25-F29 WeakPolarHBondContact O-CB 3.39Å; F25-F29 PolarHBondContact O-N 3.42Å; I26-F29 PolarHBondContact O-N 3.3Å; F29-L31 VanDerWaalsContact C-N 3.3Å; F29-L31 PolarHBondContact O-N 2.88Å; F29-R32 PolarHBondContact O-N 3.01Å; F29-R32 VanDerWaalsContact O-N 3.14Å; F29-Y33 WeakPolarHBondContact O-CB 3.47Å; F29-Y33 PolarHBondContact O-N 2.83Å
30	S	88.5	Confident	85.2	Confident	15 Å²	15	89.3 Å²	89.3	11%	0.105	46%	0.457	C	S	.	.	H	α-helix	trans	-58.6	-39.6	176.7	-71	0	0	0	0	112.2	I26 V27 Y33 A34	I26-S30 WeakPolarHBondContact O-CB 3.43Å; I26-S30 PolarHBondContact O-N 3.03Å; I26-S30 PolarHBondContact O-OG 2.98Å; V27-S30 PolarHBondContact O-N 2.96Å; S30-Y33 PolarHBondContact O-N 3.36Å; S30-A34 WeakPolarHBondContact O-CB 3.26Å; S30-A34 PolarHBondContact O-N 2.98Å
31	L	85.7	Confident	85	Confident	75 Å²	75	92.2 Å²	92.2	39%	0.393	47%	0.468	S	S	.	.	H	α-helix	trans	-59.7	-49.3	174.8	-175.3	60.6	0	0	0	111.1	V27 H28 F29 T35 M44	V27-L31 PolarHBondContact O-N 3.42Å; H28-L31 PolarHBondContact O-N 3.36Å; F29-L31 VanDerWaalsContact C-N 3.3Å; F29-L31 PolarHBondContact O-N 2.88Å; L31-T35 WeakPolarHBondContact O-CG2 3.19Å; L31-T35 PolarHBondContact O-N 3.48Å; L31-M44 HydrophobicContact CB-CE 3.4Å; L31-M44 VanDerWaalsContact CB-CE 3.4Å; L31-M44 HydrophobicContact CB-SD 4.21Å; L31-M44 HydrophobicContact CD1-CE 3.77Å; L31-M44 HydrophobicContact CD1-CG 4.2Å; L31-M44 HydrophobicContact CD1-SD 4.25Å; L31-M44 HydrophobicContact CG-CE 4.09Å
32	R	86.8	Confident	84.9	Confident	190 Å²	190	96.1 Å²	96.1	72%	0.717	48%	0.475	S	S	*	.	H	α-helix	trans	-68.1	-36.7	-177.5	-69.5	-70.6	-119.2	-171.5	-1.2	112.5	H28 F29 T35	H28-R32 WeakPolarHBondContact O-CG 3.38Å; H28-R32 PolarHBondContact O-N 3.37Å; F29-R32 PolarHBondContact O-N 3.01Å; F29-R32 VanDerWaalsContact O-N 3.14Å; R32-T35 PolarHBondContact O-OG1 3.36Å
33	Y	87.3	Confident	84.8	Confident	156 Å²	156	95.6 Å²	95.6	61%	0.612	47%	0.469	S	S	*	.	H	α-helix	trans	-72.6	-49	178.4	-178.9	-91.6	0	0	0	111.2	F29 S30 T35 S36	F29-Y33 WeakPolarHBondContact O-CB 3.47Å; F29-Y33 PolarHBondContact O-N 2.83Å; S30-Y33 PolarHBondContact O-N 3.36Å; Y33-T35 VanDerWaalsContact C-N 3.28Å; Y33-T35 PolarHBondContact O-N 3.26Å; Y33-S36 PolarHBondContact O-OG 3.14Å
34	A	83	Confident	84.7	Confident	6 Å²	6	96.2 Å²	96.2	5%	0.05	47%	0.471	C	S	.	.	H	α-helix	trans	-79.7	-4	-173.1	0	0	0	0	0	113.5	S30 S36 D37 V40 F43	S30-A34 WeakPolarHBondContact O-CB 3.26Å; S30-A34 PolarHBondContact O-N 2.98Å; A34-S36 PolarHBondContact O-N 3.49Å; A34-D37 PolarHBondContact O-N 3.47Å; A34-V40 HydrophobicContact CB-CG1 4.28Å; A34-V40 VanDerWaalsContact O-CG2 3.25Å; A34-V40 WeakPolarHBondContact O-CG2 3.3Å; A34-F43 HydrophobicContact CB-CD1 3.86Å; A34-F43 HydrophobicContact CB-CE1 4.05Å
35	T	78.8	Confident	84.6	Confident	94 Å²	94	95.3 Å²	95.3	58%	0.577	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.2	-179.6	42.4	0	0	0	0	114.4	L31 R32 Y33	L31-T35 WeakPolarHBondContact O-CG2 3.19Å; L31-T35 PolarHBondContact O-N 3.48Å; R32-T35 PolarHBondContact O-OG1 3.36Å; Y33-T35 VanDerWaalsContact C-N 3.28Å; Y33-T35 PolarHBondContact O-N 3.26Å
36	S	77.4	Confident	84.6	Confident	97 Å²	97	94.4 Å²	94.4	68%	0.678	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.3	174.2	46.1	0	0	0	0	114.3	Y33 A34	Y33-S36 PolarHBondContact O-OG 3.14Å; A34-S36 PolarHBondContact O-N 3.49Å
37	D	69.7	Low	84.5	Confident	93 Å²	93	92.4 Å²	92.4	50%	0.497	46%	0.456	S	S	.	.	S	Bend	trans	-111.4	104.1	-169.9	-70.8	-17.6	0	0	0	112.1	A34 V40	A34-D37 PolarHBondContact O-N 3.47Å; D37-V40 WeakPolarHBondContact O-CG2 3.31Å; D37-V40 PolarHBondContact O-N 3.05Å
38	L	73.7	Confident	84.5	Confident	169 Å²	169	94 Å²	94	89%	0.885	47%	0.465	S	S	*	.	S	Bend	trans	-74.9	133.6	170.8	-79.9	149.7	0	0	0	110.4
39	P	77.2	Confident	84.6	Confident	81 Å²	81	92.7 Å²	92.7	53%	0.526	46%	0.461	S	S	.	.			cis	-100.5	92.8	9.4	35.9	-29.2	0	0	0	113.6	H41 R42 F43	P39-H41 PolarHBondContact O-N 3.38Å; P39-H41 VanDerWaalsContact O-N 3.11Å; P39-R42 HydrophobicContact CB-CB 4.47Å; P39-R42 HydrophobicContact CG-CB 4.3Å; P39-R42 PolarHBondContact O-N 2.98Å; P39-R42 VanDerWaalsContact O-N 3.15Å; P39-F43 PolarHBondContact O-N 2.9Å
40	V	80.5	Confident	84.7	Confident	28 Å²	28	93.3 Å²	93.3	17%	0.17	46%	0.464	C	S	.	.	H	α-helix	trans	-41.6	-49.1	173.7	-163.1	0	0	0	0	112.2	A34 D37 R42 F43 M44	A34-V40 HydrophobicContact CB-CG1 4.28Å; A34-V40 VanDerWaalsContact O-CG2 3.25Å; A34-V40 WeakPolarHBondContact O-CG2 3.3Å; D37-V40 WeakPolarHBondContact O-CG2 3.31Å; D37-V40 PolarHBondContact O-N 3.05Å; V40-R42 PolarHBondContact O-N 2.84Å; V40-F43 PolarHBondContact O-N 3.5Å; V40-M44 HydrophobicContact CG1-CG 4.01Å; V40-M44 VanDerWaalsContact O-CG 3.24Å; V40-M44 WeakPolarHBondContact O-CG 3.32Å; V40-M44 PolarHBondContact O-N 2.81Å
41	H	82.4	Confident	84.7	Confident	151 Å²	151	93.2 Å²	93.2	70%	0.699	46%	0.463	S	S	*	.	H	α-helix	trans	-60.8	-43.7	-172.9	-170.5	-87.7	0	0	0	113	P39 M44 V45	P39-H41 PolarHBondContact O-N 3.38Å; P39-H41 VanDerWaalsContact O-N 3.11Å; H41-M44 PolarHBondContact O-N 2.82Å; H41-V45 WeakPolarHBondContact O-CG2 3.31Å; H41-V45 PolarHBondContact O-N 2.89Å
42	R	87.1	Confident	84.7	Confident	190 Å²	190	93 Å²	93	72%	0.717	47%	0.465	S	S	*	.	H	α-helix	trans	-66.1	-42.3	178.9	-81.9	-177.8	156.4	-172.2	-5.6	111.3	P39 V40 V45 L46	P39-R42 HydrophobicContact CB-CB 4.47Å; P39-R42 HydrophobicContact CG-CB 4.3Å; P39-R42 PolarHBondContact O-N 2.98Å; P39-R42 VanDerWaalsContact O-N 3.15Å; V40-R42 PolarHBondContact O-N 2.84Å; R42-V45 PolarHBondContact O-N 3.03Å; R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.2Å; R42-L46 VanDerWaalsContact O-N 3.15Å
43	F	88.2	Confident	84.8	Confident	90 Å²	90	91.5 Å²	91.5	40%	0.395	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-46	176.6	176.6	-109.5	0	0	0	111.6	A34 P39 V40 V45 L46 I47	A34-F43 HydrophobicContact CB-CD1 3.86Å; A34-F43 HydrophobicContact CB-CE1 4.05Å; P39-F43 PolarHBondContact O-N 2.9Å; V40-F43 PolarHBondContact O-N 3.5Å; F43-V45 PolarHBondContact O-N 3.5Å; F43-L46 PolarHBondContact O-N 2.71Å; F43-I47 HydrophobicContact CD1-CG1 4.33Å; F43-I47 HydrophobicContact CD2-CG1 4.38Å; F43-I47 HydrophobicContact CE1-CD1 4.42Å; F43-I47 HydrophobicContact CE1-CG1 3.89Å; F43-I47 HydrophobicContact CE2-CD1 4.28Å; F43-I47 HydrophobicContact CE2-CG1 3.91Å; F43-I47 HydrophobicContact CZ-CD1 3.86Å; F43-I47 HydrophobicContact CZ-CG1 3.65Å; F43-I47 PolarHBondContact O-N 2.97Å
44	M	87.5	Confident	84.6	Confident	26 Å²	26	86.6 Å²	86.6	13%	0.128	44%	0.443	C	S	.	.	H	α-helix	trans	-63	-39.9	179.2	-66.2	-53.2	-70.6	0	0	112.6	V27 L31 V40 H41 L46 I47 V48	V27-M44 HydrophobicContact CG1-CE 4.13Å; V27-M44 WeakPolarHBondContact O-CE 3.46Å; L31-M44 HydrophobicContact CB-CE 3.4Å; L31-M44 VanDerWaalsContact CB-CE 3.4Å; L31-M44 HydrophobicContact CB-SD 4.21Å; L31-M44 HydrophobicContact CD1-CE 3.77Å; L31-M44 HydrophobicContact CD1-CG 4.2Å; L31-M44 HydrophobicContact CD1-SD 4.25Å; L31-M44 HydrophobicContact CG-CE 4.09Å; V40-M44 HydrophobicContact CG1-CG 4.01Å; V40-M44 VanDerWaalsContact O-CG 3.24Å; V40-M44 WeakPolarHBondContact O-CG 3.32Å; V40-M44 PolarHBondContact O-N 2.81Å; H41-M44 PolarHBondContact O-N 2.82Å; M44-L46 PolarHBondContact O-N 3.2Å; M44-I47 PolarHBondContact O-N 3.36Å; M44-V48 WeakPolarHBondContact O-CG2 3.41Å; M44-V48 PolarHBondContact O-N 3.37Å
45	V	89.6	Confident	84.6	Confident	67 Å²	67	88.6 Å²	88.6	41%	0.406	46%	0.455	S	S	.	.	H	α-helix	trans	-61	-45	174.8	170.5	0	0	0	0	111.2	H41 R42 F43 V48 I49	H41-V45 WeakPolarHBondContact O-CG2 3.31Å; H41-V45 PolarHBondContact O-N 2.89Å; R42-V45 PolarHBondContact O-N 3.03Å; F43-V45 PolarHBondContact O-N 3.5Å; V45-V48 PolarHBondContact O-N 2.97Å; V45-I49 HydrophobicContact CG1-CD1 3.85Å; V45-I49 VanDerWaalsContact O-CG1 3.29Å; V45-I49 WeakPolarHBondContact O-CG1 3.49Å; V45-I49 PolarHBondContact O-N 3.45Å
46	L	91.6	Very high	84.8	Confident	114 Å²	114	88 Å²	88	60%	0.597	45%	0.447	S	S	*	.	H	α-helix	trans	-65.4	-42.2	178.8	-68.8	172.8	0	0	0	112.1	R42 F43 M44 V48 I49 F50	R42-L46 WeakPolarHBondContact O-CG 3.33Å; R42-L46 PolarHBondContact O-N 3.2Å; R42-L46 VanDerWaalsContact O-N 3.15Å; F43-L46 PolarHBondContact O-N 2.71Å; M44-L46 PolarHBondContact O-N 3.2Å; L46-V48 PolarHBondContact O-N 2.92Å; L46-I49 PolarHBondContact O-N 3.31Å; L46-F50 VanDerWaalsContact O-CB 3.32Å; L46-F50 WeakPolarHBondContact O-CB 3.01Å; L46-F50 PolarHBondContact O-N 2.86Å
47	I	90.6	Very high	85	Confident	25 Å²	25	89 Å²	89	13%	0.128	44%	0.443	C	S	.	.	H	α-helix	trans	-57.2	-49.4	174.4	-80.6	-82.3	0	0	0	110.4	V27 F43 M44 I49 F50 T51	V27-I47 HydrophobicContact CB-CG2 4.33Å; V27-I47 HydrophobicContact CG2-CG2 3.77Å; F43-I47 HydrophobicContact CD1-CG1 4.33Å; F43-I47 HydrophobicContact CD2-CG1 4.38Å; F43-I47 HydrophobicContact CE1-CD1 4.42Å; F43-I47 HydrophobicContact CE1-CG1 3.89Å; F43-I47 HydrophobicContact CE2-CD1 4.28Å; F43-I47 HydrophobicContact CE2-CG1 3.91Å; F43-I47 HydrophobicContact CZ-CD1 3.86Å; F43-I47 HydrophobicContact CZ-CG1 3.65Å; F43-I47 PolarHBondContact O-N 2.97Å; M44-I47 PolarHBondContact O-N 3.36Å; I47-I49 PolarHBondContact O-N 3.46Å; I47-F50 WeakPolarHBondContact O-CB 3.24Å; I47-F50 PolarHBondContact O-N 3.2Å; I47-T51 PolarHBondContact O-N 2.96Å; I47-T51 PolarHBondContact O-OG1 2.93Å
48	V	89.8	Confident	85.3	Confident	67 Å²	67	88.2 Å²	88.2	41%	0.406	44%	0.439	S	S	.	.	H	α-helix	trans	-61.8	-45	-179.2	169.8	0	0	0	0	111.3	V27 M44 V45 L46 F50 T51 T52	V27-V48 HydrophobicContact CG1-CG2 4.21Å; M44-V48 WeakPolarHBondContact O-CG2 3.41Å; M44-V48 PolarHBondContact O-N 3.37Å; V45-V48 PolarHBondContact O-N 2.97Å; L46-V48 PolarHBondContact O-N 2.92Å; V48-F50 VanDerWaalsContact C-N 3.32Å; V48-F50 PolarHBondContact O-N 3.4Å; V48-T51 WeakPolarHBondContact CA-OG1 3.48Å; V48-T51 PolarHBondContact O-N 2.99Å; V48-T51 PolarHBondContact O-OG1 3.49Å; V48-T52 WeakPolarHBondContact O-CB 3.15Å; V48-T52 PolarHBondContact O-N 3.03Å; V48-T52 PolarHBondContact O-OG1 3.05Å
49	I	92	Very high	85	Confident	94 Å²	94	81.1 Å²	81.1	48%	0.482	41%	0.407	S	S	.	.	H	α-helix	trans	-59.2	-45.9	176	-68.3	167.2	0	0	0	110.5	V45 L46 I47 T52 R53	V45-I49 HydrophobicContact CG1-CD1 3.85Å; V45-I49 VanDerWaalsContact O-CG1 3.29Å; V45-I49 WeakPolarHBondContact O-CG1 3.49Å; V45-I49 PolarHBondContact O-N 3.45Å; L46-I49 PolarHBondContact O-N 3.31Å; I47-I49 PolarHBondContact O-N 3.46Å; I49-T52 PolarHBondContact O-N 3.31Å; I49-R53 WeakPolarHBondContact O-CB 3.49Å; I49-R53 WeakPolarHBondContact O-CG 3.49Å; I49-R53 PolarHBondContact O-N 3.42Å
50	F	90.7	Very high	84.5	Confident	131 Å²	131	82.9 Å²	82.9	58%	0.575	41%	0.412	S	S	*	.	H	α-helix	trans	-62.7	-50.5	180	179.5	-104.3	0	0	0	112	L46 I47 V48 T52 R53 I54	L46-F50 VanDerWaalsContact O-CB 3.32Å; L46-F50 WeakPolarHBondContact O-CB 3.01Å; L46-F50 PolarHBondContact O-N 2.86Å; I47-F50 WeakPolarHBondContact O-CB 3.24Å; I47-F50 PolarHBondContact O-N 3.2Å; V48-F50 VanDerWaalsContact C-N 3.32Å; V48-F50 PolarHBondContact O-N 3.4Å; F50-T52 VanDerWaalsContact C-N 3.3Å; F50-T52 PolarHBondContact O-N 2.87Å; F50-R53 WeakPolarHBondContact O-CB 3.24Å; F50-R53 PolarHBondContact O-N 3.42Å; F50-I54 HydrophobicContact CD1-CD1 3.91Å; F50-I54 HydrophobicContact CE1-CD1 3.29Å; F50-I54 HydrophobicContact CE1-CG1 4.31Å; F50-I54 HydrophobicContact CE2-CD1 4.11Å; F50-I54 HydrophobicContact CZ-CD1 3.43Å; F50-I54 VanDerWaalsContact CZ-CD1 3.43Å; F50-I54 HydrophobicContact CZ-CG1 4.27Å; F50-I54 PolarHBondContact O-N 3.47Å
51	T	88.3	Confident	83.5	Confident	13 Å²	13	86.7 Å²	86.7	8%	0.08	43%	0.431	C	S	.	.	H	α-helix	trans	-61.3	-39.5	177.2	40.5	0	0	0	0	112	V27 I47 V48 R53 I54 V55	V27-T51 HydrophobicContact CG2-CG2 4.08Å; I47-T51 PolarHBondContact O-N 2.96Å; I47-T51 PolarHBondContact O-OG1 2.93Å; V48-T51 WeakPolarHBondContact CA-OG1 3.48Å; V48-T51 PolarHBondContact O-N 2.99Å; V48-T51 PolarHBondContact O-OG1 3.49Å; T51-R53 VanDerWaalsContact C-N 3.35Å; T51-R53 PolarHBondContact O-N 3.41Å; T51-I54 PolarHBondContact O-N 3.45Å; T51-V55 WeakPolarHBondContact O-CG2 3.32Å; T51-V55 PolarHBondContact O-N 2.88Å
52	T	86.5	Confident	81.9	Confident	71 Å²	71	84.6 Å²	84.6	44%	0.436	43%	0.434	S	S	.	.	H	α-helix	trans	-63.3	-43.1	177.6	-56.2	0	0	0	0	110.9	V48 I49 F50 V55 I56	V48-T52 WeakPolarHBondContact O-CB 3.15Å; V48-T52 PolarHBondContact O-N 3.03Å; V48-T52 PolarHBondContact O-OG1 3.05Å; I49-T52 PolarHBondContact O-N 3.31Å; F50-T52 VanDerWaalsContact C-N 3.3Å; F50-T52 PolarHBondContact O-N 2.87Å; T52-V55 PolarHBondContact O-N 3.21Å; T52-I56 HydrophobicContact CG2-CD1 3.95Å; T52-I56 VanDerWaalsContact O-CG1 3.31Å; T52-I56 WeakPolarHBondContact O-CG1 3.41Å; T52-I56 PolarHBondContact O-N 3.49Å
53	R	88.4	Confident	80	Confident	158 Å²	158	85 Å²	85	60%	0.596	46%	0.463	S	S	*	.	H	α-helix	trans	-61.4	-44.9	175.8	-79.9	-76	-171.8	-129.9	0.8	112	I49 F50 T51 V55 I56 I57	I49-R53 WeakPolarHBondContact O-CB 3.49Å; I49-R53 WeakPolarHBondContact O-CG 3.49Å; I49-R53 PolarHBondContact O-N 3.42Å; F50-R53 WeakPolarHBondContact O-CB 3.24Å; F50-R53 PolarHBondContact O-N 3.42Å; T51-R53 VanDerWaalsContact C-N 3.35Å; T51-R53 PolarHBondContact O-N 3.41Å; R53-V55 VanDerWaalsContact C-N 3.35Å; R53-V55 PolarHBondContact O-N 3Å; R53-I56 PolarHBondContact O-N 2.92Å; R53-I57 WeakPolarHBondContact O-CB 3.33Å; R53-I57 WeakPolarHBondContact O-CD1 3.49Å; R53-I57 VanDerWaalsContact O-CG1 3.24Å; R53-I57 WeakPolarHBondContact O-CG1 3.29Å; R53-I57 PolarHBondContact O-N 3.05Å
54	I	83.6	Confident	79.6	Confident	53 Å²	53	84.8 Å²	84.8	27%	0.272	47%	0.467	S	S	.	.	H	α-helix	trans	-60.8	-45.5	177.6	-69.1	-177.5	0	0	0	110.7	L19 F50 T51 I56 I57 N58	L19-I54 HydrophobicContact CD2-CG2 3.72Å; F50-I54 HydrophobicContact CD1-CD1 3.91Å; F50-I54 HydrophobicContact CE1-CD1 3.29Å; F50-I54 HydrophobicContact CE1-CG1 4.31Å; F50-I54 HydrophobicContact CE2-CD1 4.11Å; F50-I54 HydrophobicContact CZ-CD1 3.43Å; F50-I54 VanDerWaalsContact CZ-CD1 3.43Å; F50-I54 HydrophobicContact CZ-CG1 4.27Å; F50-I54 PolarHBondContact O-N 3.47Å; T51-I54 PolarHBondContact O-N 3.45Å; I54-I56 VanDerWaalsContact C-N 3.31Å; I54-I56 PolarHBondContact O-N 3.2Å; I54-I57 PolarHBondContact O-N 3.38Å; I54-N58 VanDerWaalsContact CG2-ND2 3.31Å; I54-N58 WeakPolarHBondContact CG2-ND2 3.41Å; I54-N58 WeakPolarHBondContact O-CB 3.12Å; I54-N58 PolarHBondContact O-N 3.11Å; I54-N58 PolarHBondContact O-ND2 3.34Å
55	V	83.2	Confident	79.2	Confident	49 Å²	49	87.8 Å²	87.8	30%	0.297	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-40	179.4	173.2	0	0	0	0	111.3	L19 I20 T51 T52 R53 G59	L19-V55 HydrophobicContact CD2-CG2 3.86Å; I20-V55 HydrophobicContact CG1-CG1 4.34Å; T51-V55 WeakPolarHBondContact O-CG2 3.32Å; T51-V55 PolarHBondContact O-N 2.88Å; T52-V55 PolarHBondContact O-N 3.21Å; R53-V55 VanDerWaalsContact C-N 3.35Å; R53-V55 PolarHBondContact O-N 3Å; V55-G59 WeakPolarHBondContact O-CA 3.25Å; V55-G59 PolarHBondContact O-N 3.4Å
56	I	83.2	Confident	78.6	Confident	81 Å²	81	89 Å²	89	42%	0.415	49%	0.489	S	S	.	.	H	α-helix	trans	-67.1	-46.9	177.3	-67.5	167.3	0	0	0	111.3	T52 R53 I54 N58 G59 N60	T52-I56 HydrophobicContact CG2-CD1 3.95Å; T52-I56 VanDerWaalsContact O-CG1 3.31Å; T52-I56 WeakPolarHBondContact O-CG1 3.41Å; T52-I56 PolarHBondContact O-N 3.49Å; R53-I56 PolarHBondContact O-N 2.92Å; I54-I56 VanDerWaalsContact C-N 3.31Å; I54-I56 PolarHBondContact O-N 3.2Å; I56-N58 PolarHBondContact O-N 3.35Å; I56-G59 PolarHBondContact O-N 3.39Å; I56-G59 VanDerWaalsContact O-N 3.14Å; I56-N60 PolarHBondContact O-N 2.86Å
57	I	82.2	Confident	77.9	Confident	118 Å²	118	87.5 Å²	87.5	61%	0.605	48%	0.483	S	S	*	.	H	α-helix	trans	-62.1	-45.1	-177.9	-69	165	0	0	0	110.6	R53 I54 G59	R53-I57 WeakPolarHBondContact O-CB 3.33Å; R53-I57 WeakPolarHBondContact O-CD1 3.49Å; R53-I57 VanDerWaalsContact O-CG1 3.24Å; R53-I57 WeakPolarHBondContact O-CG1 3.29Å; R53-I57 PolarHBondContact O-N 3.05Å; I54-I57 PolarHBondContact O-N 3.38Å; I57-G59 VanDerWaalsContact C-N 3.29Å; I57-G59 PolarHBondContact O-N 2.91Å
58	N	75.6	Confident	77.1	Confident	77 Å²	77	91.4 Å²	91.4	41%	0.412	51%	0.505	S	S	.	.	H	α-helix	trans	-81.2	-9	177.9	-65.1	-77.6	0	0	0	113.2	L19 I54 I56	L19-N58 HydrophobicContact CD1-CB 3.59Å; I54-N58 VanDerWaalsContact CG2-ND2 3.31Å; I54-N58 WeakPolarHBondContact CG2-ND2 3.41Å; I54-N58 WeakPolarHBondContact O-CB 3.12Å; I54-N58 PolarHBondContact O-N 3.11Å; I54-N58 PolarHBondContact O-ND2 3.34Å; I56-N58 PolarHBondContact O-N 3.35Å
59	G	67.8	Low	76.2	Confident	20 Å²	20	93.1 Å²	93.1	21%	0.206	51%	0.511	C	S	.	.	H	α-helix	trans	-80.4	-30.2	175.9	0	0	0	0	0	112.7	K16 V55 I56 I57 D61	K16-G59 PolarHBondContact NZ-O 3.02Å; V55-G59 WeakPolarHBondContact O-CA 3.25Å; V55-G59 PolarHBondContact O-N 3.4Å; I56-G59 PolarHBondContact O-N 3.39Å; I56-G59 VanDerWaalsContact O-N 3.14Å; I57-G59 VanDerWaalsContact C-N 3.29Å; I57-G59 PolarHBondContact O-N 2.91Å; G59-D61 PolarHBondContact O-N 3.15Å
60	N	65.3	Low	75.1	Confident	118 Å²	118	93 Å²	93	63%	0.631	51%	0.514	S	S	*	.			trans	-94.4	64.1	-176.9	-78.6	0.2	0	0	0	112.1	I56 S62	I56-N60 PolarHBondContact O-N 2.86Å; N60-S62 PolarHBondContact O-N 3.15Å
61	D	60.3	Low	73.9	Confident	107 Å²	107	90.1 Å²	90.1	57%	0.572	51%	0.509	S	S	*	.			trans	-77.9	39.2	159.7	-79	-25.5	0	0	0	111.2	N12 G59	N12-D61 PolarHBondContact ND2-OD2 3.45Å; G59-D61 PolarHBondContact O-N 3.15Å
62	S	47.6	Very low	72.7	Confident	107 Å²	107	96.5 Å²	96.5	75%	0.748	55%	0.545	S	S	*	.			trans	-121.9	72.7	-178	-45.2	0	0	0	0	108.6	N60	N60-S62 PolarHBondContact O-N 3.15Å
63	C	48.9	Very low	71.5	Confident	199 Å²	199	98.8 Å²	98.8	100%	1.345	56%	0.555	S	S	*	*			trans	-133.2	0	156.6	-168.4	0	0	0	0	108.5

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