A0A077ZQ36_TRITR Loading...

DUF7041 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZQ36, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 aa.

						>A0A077ZQ36_TRITR|A0A077ZQ36
MPEETLGTLRDFILTADQQTAPFTALKAECFDRLMDDRAHQIRQAITDEELAGRPPSVFLRRLQQLMPAGPSQGNESVIRQLFLSRLPHQVQTALLPFEEKPLAELARLADRLLALRESQLSASPVYATTQGVEA
					

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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	57.4	Low	76.5	Confident	151 Å²	151	95.5 Å²	95.5	74%	0.744	49%	0.487	S	S	*	.				0	116.1	0	-70.7	-70.5	92.6	0	0	106.6
2	P	69.3	Low	77.4	Confident	57 Å²	57	89.5 Å²	89.5	37%	0.37	46%	0.455	S	S	.	.			trans	-60.2	146.7	176	5.8	-2.6	0	0	0	110.8	E4 T5	P2-E4 PolarHBondContact O-N 3.39Å; P2-T5 WeakPolarHBondContact CD-OG1 3.39Å; P2-T5 WeakPolarHBondContact CG-OG1 3.35Å; P2-T5 VanDerWaalsContact O-CB 3.29Å; P2-T5 WeakPolarHBondContact O-CB 3.48Å; P2-T5 PolarHBondContact O-N 3.12Å; P2-T5 PolarHBondContact O-OG1 3.11Å
3	E	72.6	Confident	78.1	Confident	151 Å²	151	90.8 Å²	90.8	71%	0.706	46%	0.462	S	S	*	.	H	α-helix	trans	-56.5	-35.6	-179.1	-173.9	63.1	-163.4	0	0	111.9	T5 L6 G7	E3-T5 PolarHBondContact O-N 3.14Å; E3-L6 WeakPolarHBondContact O-CB 3.38Å; E3-L6 PolarHBondContact O-N 3.19Å; E3-L6 VanDerWaalsContact O-N 3.09Å; E3-G7 PolarHBondContact O-N 3.14Å; E3-G7 VanDerWaalsContact O-N 3.13Å
4	E	73.7	Confident	78.8	Confident	161 Å²	161	92.4 Å²	92.4	75%	0.752	47%	0.471	S	S	*	.	H	α-helix	trans	-57.6	-37.4	175.1	-62.6	177.5	173	0	0	112	P2 L6 G7 T8	P2-E4 PolarHBondContact O-N 3.39Å; E4-L6 VanDerWaalsContact C-N 3.33Å; E4-L6 PolarHBondContact O-N 3.16Å; E4-G7 PolarHBondContact O-N 3.21Å; E4-T8 PolarHBondContact O-N 3.29Å; E4-T8 VanDerWaalsContact O-N 3.15Å; E4-T8 PolarHBondContact O-OG1 3.5Å; E4-T8 VanDerWaalsContact O-OG1 3.07Å
5	T	73.1	Confident	79.4	Confident	36 Å²	36	90.3 Å²	90.3	22%	0.221	47%	0.465	C	S	.	.	H	α-helix	trans	-66.1	-36	178.2	-49.1	0	0	0	0	111.9	P2 E3 L9 R33	P2-T5 WeakPolarHBondContact CD-OG1 3.39Å; P2-T5 WeakPolarHBondContact CG-OG1 3.35Å; P2-T5 VanDerWaalsContact O-CB 3.29Å; P2-T5 WeakPolarHBondContact O-CB 3.48Å; P2-T5 PolarHBondContact O-N 3.12Å; P2-T5 PolarHBondContact O-OG1 3.11Å; E3-T5 PolarHBondContact O-N 3.14Å; T5-L9 WeakPolarHBondContact O-CB 3.47Å; T5-L9 PolarHBondContact O-N 3.07Å; T5-L9 VanDerWaalsContact O-N 3.17Å; T5-R33 PolarHBondContact O-NH1 2.76Å
6	L	77.4	Confident	79.7	Confident	90 Å²	90	85.8 Å²	85.8	47%	0.471	45%	0.445	S	S	.	.	H	α-helix	trans	-70.2	-41.5	177.9	-66.3	176.5	0	0	0	111.3	E3 E4 L9 R10	E3-L6 WeakPolarHBondContact O-CB 3.38Å; E3-L6 PolarHBondContact O-N 3.19Å; E3-L6 VanDerWaalsContact O-N 3.09Å; E4-L6 VanDerWaalsContact C-N 3.33Å; E4-L6 PolarHBondContact O-N 3.16Å; L6-L9 PolarHBondContact O-N 3.05Å; L6-R10 WeakPolarHBondContact O-CB 3.26Å; L6-R10 PolarHBondContact O-N 3.47Å
7	G	83.1	Confident	79.9	Confident	29 Å²	29	88.7 Å²	88.7	30%	0.299	46%	0.462	S	S	.	.	H	α-helix	trans	-57.1	-54.3	175.8	0	0	0	0	0	112.1	E3 E4 L9 R10 D11	E3-G7 PolarHBondContact O-N 3.14Å; E3-G7 VanDerWaalsContact O-N 3.13Å; E4-G7 PolarHBondContact O-N 3.21Å; G7-L9 PolarHBondContact O-N 3.47Å; G7-R10 WeakPolarHBondContact O-CB 3.27Å; G7-R10 PolarHBondContact O-N 3.4Å; G7-R10 VanDerWaalsContact O-N 3.15Å; G7-D11 PolarHBondContact O-N 3.47Å
8	T	80.8	Confident	80.3	Confident	72 Å²	72	92.2 Å²	92.2	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-66.6	-25	-179.1	-40.5	0	0	0	0	111.9	E4 F12 R33	E4-T8 PolarHBondContact O-N 3.29Å; E4-T8 VanDerWaalsContact O-N 3.15Å; E4-T8 PolarHBondContact O-OG1 3.5Å; E4-T8 VanDerWaalsContact O-OG1 3.07Å; T8-F12 WeakPolarHBondContact O-CB 3.5Å; T8-F12 PolarHBondContact O-N 3.28Å; T8-F12 VanDerWaalsContact O-N 3.16Å; T8-R33 VanDerWaalsContact C-NH2 3.27Å; T8-R33 VanDerWaalsContact CB-CZ 3.41Å; T8-R33 VanDerWaalsContact CB-NH1 3.31Å; T8-R33 VanDerWaalsContact CG2-CZ 3.46Å; T8-R33 PolarHBondContact O-NH2 3.42Å
9	L	82.3	Confident	80.5	Confident	47 Å²	47	91.9 Å²	91.9	25%	0.246	47%	0.472	C	S	.	.	H	α-helix	trans	-75.4	-40.8	176.3	-172.1	68.4	0	0	0	110.6	T5 L6 G7 D11 F12 I13 L26	T5-L9 WeakPolarHBondContact O-CB 3.47Å; T5-L9 PolarHBondContact O-N 3.07Å; T5-L9 VanDerWaalsContact O-N 3.17Å; L6-L9 PolarHBondContact O-N 3.05Å; G7-L9 PolarHBondContact O-N 3.47Å; L9-D11 VanDerWaalsContact C-N 3.34Å; L9-F12 PolarHBondContact O-N 3.02Å; L9-I13 HydrophobicContact CG-CD1 4.32Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.44Å; L9-I13 PolarHBondContact O-N 2.97Å; L9-L26 HydrophobicContact CD1-CD1 3.49Å; L9-L26 VanDerWaalsContact CD1-CD1 3.49Å
10	R	86.1	Confident	80.8	Confident	168 Å²	168	95 Å²	95	63%	0.634	50%	0.495	S	S	*	.	H	α-helix	trans	-59.4	-46.3	172.9	174.8	-169.1	137.8	-171.9	-4.8	110.7	L6 G7 F12 I13 L14	L6-R10 WeakPolarHBondContact O-CB 3.26Å; L6-R10 PolarHBondContact O-N 3.47Å; G7-R10 WeakPolarHBondContact O-CB 3.27Å; G7-R10 PolarHBondContact O-N 3.4Å; G7-R10 VanDerWaalsContact O-N 3.15Å; R10-F12 VanDerWaalsContact C-N 3.31Å; R10-F12 PolarHBondContact O-N 3.31Å; R10-I13 PolarHBondContact O-N 3.5Å; R10-I13 VanDerWaalsContact O-N 3.14Å; R10-L14 HydrophobicContact CG-CD1 4.37Å; R10-L14 WeakPolarHBondContact O-CG 3.31Å; R10-L14 PolarHBondContact O-N 3.36Å
11	D	85.8	Confident	81.2	Confident	88 Å²	88	92.6 Å²	92.6	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-37.4	-179.9	-66.9	-19	0	0	0	112	G7 L9 L14 T15	G7-D11 PolarHBondContact O-N 3.47Å; L9-D11 VanDerWaalsContact C-N 3.34Å; D11-L14 PolarHBondContact O-N 3.43Å; D11-T15 PolarHBondContact O-N 2.97Å; D11-T15 PolarHBondContact O-OG1 3.09Å
12	F	87.2	Confident	82.6	Confident	24 Å²	24	88.4 Å²	88.4	11%	0.105	47%	0.473	C	S	.	.	H	α-helix	trans	-61.9	-45.2	170.8	-179.5	-85.4	0	0	0	111.9	T8 L9 R10 L14 T15 A16 Q19 A25 L26 E29	T8-F12 WeakPolarHBondContact O-CB 3.5Å; T8-F12 PolarHBondContact O-N 3.28Å; T8-F12 VanDerWaalsContact O-N 3.16Å; L9-F12 PolarHBondContact O-N 3.02Å; R10-F12 VanDerWaalsContact C-N 3.31Å; R10-F12 PolarHBondContact O-N 3.31Å; F12-L14 VanDerWaalsContact C-N 3.26Å; F12-L14 PolarHBondContact O-N 2.96Å; F12-T15 CarbonylContact O-C 3.53Å; F12-T15 PolarHBondContact O-N 3.44Å; F12-T15 VanDerWaalsContact O-N 3.09Å; F12-T15 PolarHBondContact O-OG1 2.82Å; F12-A16 HydrophobicContact CE1-CB 4.28Å; F12-A16 PolarHBondContact O-N 3.05Å; F12-Q19 HydrophobicContact CZ-CG 4.42Å; F12-A25 HydrophobicContact CE2-CB 3.91Å; F12-A25 HydrophobicContact CZ-CB 3.55Å; F12-L26 HydrophobicContact CD1-CB 4.31Å; F12-L26 HydrophobicContact CD1-CD1 3.48Å; F12-L26 VanDerWaalsContact CD1-CD1 3.48Å; F12-L26 HydrophobicContact CE1-CB 3.59Å; F12-L26 HydrophobicContact CE1-CD1 3.66Å; F12-L26 HydrophobicContact CE1-CG 4.24Å; F12-L26 HydrophobicContact CG-CD1 4.47Å; F12-L26 HydrophobicContact CZ-CB 4.15Å; F12-L26 VanDerWaalsContact CZ-N 3.26Å; F12-E29 HydrophobicContact CD2-CG 3.74Å; F12-E29 HydrophobicContact CE2-CG 3.9Å; F12-E29 HydrophobicContact CG-CG 4.44Å
13	I	86.2	Confident	83.4	Confident	106 Å²	106	91.9 Å²	91.9	54%	0.544	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-37	178.4	-69.6	165.2	0	0	0	111.2	L9 R10 T15 A16	L9-I13 HydrophobicContact CG-CD1 4.32Å; L9-I13 VanDerWaalsContact O-CG1 3.3Å; L9-I13 WeakPolarHBondContact O-CG1 3.44Å; L9-I13 PolarHBondContact O-N 2.97Å; R10-I13 PolarHBondContact O-N 3.5Å; R10-I13 VanDerWaalsContact O-N 3.14Å; I13-T15 PolarHBondContact O-N 3.14Å; I13-A16 WeakPolarHBondContact O-CB 3.5Å; I13-A16 PolarHBondContact O-N 3.09Å
14	L	87.8	Confident	84.2	Confident	113 Å²	113	89.2 Å²	89.2	59%	0.592	48%	0.477	S	S	*	.	H	α-helix	trans	-68.3	-18.4	177.5	-69.1	173.6	0	0	0	113.9	R10 D11 F12	R10-L14 HydrophobicContact CG-CD1 4.37Å; R10-L14 WeakPolarHBondContact O-CG 3.31Å; R10-L14 PolarHBondContact O-N 3.36Å; D11-L14 PolarHBondContact O-N 3.43Å; F12-L14 VanDerWaalsContact C-N 3.26Å; F12-L14 PolarHBondContact O-N 2.96Å
15	T	88.1	Confident	84.9	Confident	61 Å²	61	82.6 Å²	82.6	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-114.8	5.5	-179.2	52.4	0	0	0	0	112.7	D11 F12 I13 D17 Q18	D11-T15 PolarHBondContact O-N 2.97Å; D11-T15 PolarHBondContact O-OG1 3.09Å; F12-T15 CarbonylContact O-C 3.53Å; F12-T15 PolarHBondContact O-N 3.44Å; F12-T15 VanDerWaalsContact O-N 3.09Å; F12-T15 PolarHBondContact O-OG1 2.82Å; I13-T15 PolarHBondContact O-N 3.14Å; T15-D17 VanDerWaalsContact C-N 3.27Å; T15-D17 PolarHBondContact O-N 3.33Å; T15-Q18 PolarHBondContact O-N 3.31Å
16	A	84.7	Confident	85.6	Confident	19 Å²	19	83.1 Å²	83.1	16%	0.157	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-68	-25.7	-173.4	0	0	0	0	0	113	F12 I13 Q18 Q19 P22	F12-A16 HydrophobicContact CE1-CB 4.28Å; F12-A16 PolarHBondContact O-N 3.05Å; I13-A16 WeakPolarHBondContact O-CB 3.5Å; I13-A16 PolarHBondContact O-N 3.09Å; A16-Q18 PolarHBondContact O-N 3.22Å; A16-Q19 WeakPolarHBondContact O-CB 3.01Å; A16-Q19 PolarHBondContact O-N 2.99Å; A16-Q19 VanDerWaalsContact O-N 3.11Å; A16-P22 HydrophobicContact CB-CB 4.13Å
17	D	82.9	Confident	86.2	Confident	135 Å²	135	83.7 Å²	83.7	72%	0.722	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-64	-22.9	176.4	66.6	-41.2	0	0	0	113.3	T15 Q19	T15-D17 VanDerWaalsContact C-N 3.27Å; T15-D17 PolarHBondContact O-N 3.33Å; D17-Q19 VanDerWaalsContact C-N 3.34Å
18	Q	87	Confident	86.4	Confident	152 Å²	152	84.6 Å²	84.6	71%	0.71	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-84.6	-8.1	176.4	-57.5	-178.5	2.1	0	0	113.1	T15 A16	T15-Q18 PolarHBondContact O-N 3.31Å; A16-Q18 PolarHBondContact O-N 3.22Å
19	Q	85	Confident	86.6	Confident	87 Å²	87	84.4 Å²	84.4	41%	0.407	45%	0.448	S	S	.	.	S	Bend	trans	-87.5	135.1	-179.1	-61.6	-63.9	-39.2	0	0	111	F12 A16 D17 A21 P22 A25	F12-Q19 HydrophobicContact CZ-CG 4.42Å; A16-Q19 WeakPolarHBondContact O-CB 3.01Å; A16-Q19 PolarHBondContact O-N 2.99Å; A16-Q19 VanDerWaalsContact O-N 3.11Å; D17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-A21 PolarHBondContact O-N 3.13Å; Q19-P22 HydrophobicContact CB-CB 4.36Å; Q19-A25 HydrophobicContact CG-CB 4.29Å
20	T	86.6	Confident	86.7	Confident	153 Å²	153	84.5 Å²	84.5	94%	0.939	45%	0.452	S	S	*	.	S	Bend	trans	-60.9	-31.1	174.6	-49.8	0	0	0	0	112.5
21	A	88.9	Confident	86.7	Confident	45 Å²	45	82.7 Å²	82.7	37%	0.372	45%	0.45	S	S	.	.	S	Bend	trans	-141	77.8	179.9	0	0	0	0	0	110.2	Q19 F23 T24 A25	Q19-A21 PolarHBondContact O-N 3.13Å; A21-F23 VanDerWaalsContact C-N 3.3Å; A21-F23 PolarHBondContact O-N 2.99Å; A21-T24 WeakPolarHBondContact O-CB 3.39Å; A21-T24 PolarHBondContact O-N 3.24Å; A21-A25 PolarHBondContact O-N 3.43Å
22	P	86.3	Confident	86.5	Confident	63 Å²	63	83.5 Å²	83.5	41%	0.409	45%	0.454	S	S	.	.	H	α-helix	trans	-58.9	-39.5	-168.1	19.9	-32	0	0	0	113.2	A16 Q19 A25 L26	A16-P22 HydrophobicContact CB-CB 4.13Å; Q19-P22 HydrophobicContact CB-CB 4.36Å; P22-A25 PolarHBondContact O-N 2.89Å; P22-L26 VanDerWaalsContact O-CB 3.26Å; P22-L26 WeakPolarHBondContact O-CB 3.03Å; P22-L26 PolarHBondContact O-N 3.41Å
23	F	85.9	Confident	86.2	Confident	130 Å²	130	84.4 Å²	84.4	57%	0.57	46%	0.456	S	S	*	.	H	α-helix	trans	-68.9	-34.9	178.5	-176.4	-117.5	0	0	0	113.1	A21 K27	A21-F23 VanDerWaalsContact C-N 3.3Å; A21-F23 PolarHBondContact O-N 2.99Å; F23-K27 HydrophobicContact CD1-CD 4.25Å; F23-K27 HydrophobicContact CE1-CD 3.98Å; F23-K27 HydrophobicContact CZ-CD 4.27Å; F23-K27 WeakPolarHBondContact O-CB 3.46Å; F23-K27 WeakPolarHBondContact O-CG 3.37Å; F23-K27 PolarHBondContact O-N 3.07Å
24	T	89.7	Confident	85.9	Confident	94 Å²	94	83.5 Å²	83.5	58%	0.577	45%	0.452	S	S	*	.	H	α-helix	trans	-69.5	-44.9	176.5	-57.3	0	0	0	0	110.5	A21 K27 A28	A21-T24 WeakPolarHBondContact O-CB 3.39Å; A21-T24 PolarHBondContact O-N 3.24Å; T24-K27 WeakPolarHBondContact O-CB 3.39Å; T24-K27 PolarHBondContact O-N 2.84Å; T24-A28 PolarHBondContact O-N 3.2Å
25	A	89	Confident	85.4	Confident	22 Å²	22	82.9 Å²	82.9	18%	0.182	45%	0.447	C	S	.	.	H	α-helix	trans	-63	-41.9	175.4	0	0	0	0	0	111.4	F12 Q19 A21 P22 K27 A28 E29	F12-A25 HydrophobicContact CE2-CB 3.91Å; F12-A25 HydrophobicContact CZ-CB 3.55Å; Q19-A25 HydrophobicContact CG-CB 4.29Å; A21-A25 PolarHBondContact O-N 3.43Å; P22-A25 PolarHBondContact O-N 2.89Å; A25-K27 VanDerWaalsContact C-N 3.34Å; A25-K27 PolarHBondContact O-N 2.91Å; A25-A28 PolarHBondContact O-N 3.25Å; A25-E29 PolarHBondContact O-N 3.41Å
26	L	87.8	Confident	84.9	Confident	48 Å²	48	84.7 Å²	84.7	25%	0.251	46%	0.455	S	S	.	.	H	α-helix	trans	-59.1	-44.8	174	-175.8	69	0	0	0	111.9	L9 F12 P22 E29 C30	L9-L26 HydrophobicContact CD1-CD1 3.49Å; L9-L26 VanDerWaalsContact CD1-CD1 3.49Å; F12-L26 HydrophobicContact CD1-CB 4.31Å; F12-L26 HydrophobicContact CD1-CD1 3.48Å; F12-L26 VanDerWaalsContact CD1-CD1 3.48Å; F12-L26 HydrophobicContact CE1-CB 3.59Å; F12-L26 HydrophobicContact CE1-CD1 3.66Å; F12-L26 HydrophobicContact CE1-CG 4.24Å; F12-L26 HydrophobicContact CG-CD1 4.47Å; F12-L26 HydrophobicContact CZ-CB 4.15Å; F12-L26 VanDerWaalsContact CZ-N 3.26Å; P22-L26 VanDerWaalsContact O-CB 3.26Å; P22-L26 WeakPolarHBondContact O-CB 3.03Å; P22-L26 PolarHBondContact O-N 3.41Å; L26-E29 PolarHBondContact O-N 2.57Å; L26-C30 WeakPolarHBondContact O-CB 3.43Å; L26-C30 PolarHBondContact O-N 3.48Å; L26-C30 PolarHBondContact O-SG 3.27Å
27	K	88.1	Confident	84.5	Confident	102 Å²	102	85.9 Å²	85.9	44%	0.443	46%	0.459	S	S	.	.	H	α-helix	trans	-59.9	-48.4	176.4	-82.9	177	169.1	174.5	0	111	F23 T24 A25 E29 C30 F31	F23-K27 HydrophobicContact CD1-CD 4.25Å; F23-K27 HydrophobicContact CE1-CD 3.98Å; F23-K27 HydrophobicContact CZ-CD 4.27Å; F23-K27 WeakPolarHBondContact O-CB 3.46Å; F23-K27 WeakPolarHBondContact O-CG 3.37Å; F23-K27 PolarHBondContact O-N 3.07Å; T24-K27 WeakPolarHBondContact O-CB 3.39Å; T24-K27 PolarHBondContact O-N 2.84Å; A25-K27 VanDerWaalsContact C-N 3.34Å; A25-K27 PolarHBondContact O-N 2.91Å; K27-E29 PolarHBondContact O-N 3.46Å; K27-C30 PolarHBondContact O-N 2.93Å; K27-F31 WeakPolarHBondContact O-CB 3.36Å; K27-F31 WeakPolarHBondContact O-CD2 3.38Å; K27-F31 PolarHBondContact O-N 3.42Å
28	A	87.9	Confident	84.1	Confident	48 Å²	48	86 Å²	86	40%	0.397	45%	0.449	S	S	.	.	H	α-helix	trans	-57	-50.2	178.9	0	0	0	0	0	110.9	T24 A25 C30 F31 D32	T24-A28 PolarHBondContact O-N 3.2Å; A25-A28 PolarHBondContact O-N 3.25Å; A28-C30 PolarHBondContact O-N 2.75Å; A28-F31 WeakPolarHBondContact O-CB 3.48Å; A28-F31 PolarHBondContact O-N 3.42Å; A28-F31 VanDerWaalsContact O-N 3.08Å; A28-D32 PolarHBondContact O-N 2.87Å
29	E	85.7	Confident	83.5	Confident	67 Å²	67	80.6 Å²	80.6	31%	0.313	43%	0.43	S	S	.	.	H	α-helix	trans	-55.5	-47.8	175.3	-81	-70.7	142.1	0	0	113	F12 A25 L26 K27 F31 D32 R33	F12-E29 HydrophobicContact CD2-CG 3.74Å; F12-E29 HydrophobicContact CE2-CG 3.9Å; F12-E29 HydrophobicContact CG-CG 4.44Å; A25-E29 PolarHBondContact O-N 3.41Å; L26-E29 PolarHBondContact O-N 2.57Å; K27-E29 PolarHBondContact O-N 3.46Å; E29-F31 VanDerWaalsContact C-N 3.32Å; E29-F31 PolarHBondContact O-N 3.49Å; E29-D32 PolarHBondContact O-N 3.33Å; E29-R33 WeakPolarHBondContact O-CB 3.28Å; E29-R33 VanDerWaalsContact O-CG 3.28Å; E29-R33 WeakPolarHBondContact O-CG 3.43Å; E29-R33 PolarHBondContact O-N 2.94Å; E29-R33 IonicContact OE2-CZ 3.9Å; E29-R33 IonicContact OE2-NE 2.93Å; E29-R33 PolarHBondContact OE2-NE 3.07Å; E29-R33 IonicContact OE2-NH2 2.86Å; E29-R33 PolarHBondContact OE2-NH2 2.83Å
30	C	85	Confident	83	Confident	49 Å²	49	81.2 Å²	81.2	33%	0.331	43%	0.433	S	S	.	.	H	α-helix	trans	-61.4	-42.3	176.5	-73.9	0	0	0	0	111.6	L26 K27 A28 L34	L26-C30 WeakPolarHBondContact O-CB 3.43Å; L26-C30 PolarHBondContact O-N 3.48Å; L26-C30 PolarHBondContact O-SG 3.27Å; K27-C30 PolarHBondContact O-N 2.93Å; A28-C30 PolarHBondContact O-N 2.75Å; C30-L34 VanDerWaalsContact O-CB 3.31Å; C30-L34 WeakPolarHBondContact O-CB 3.49Å; C30-L34 WeakPolarHBondContact O-CD1 3.33Å; C30-L34 WeakPolarHBondContact O-CG 3.44Å; C30-L34 PolarHBondContact O-N 3.35Å
31	F	84.2	Confident	82.5	Confident	131 Å²	131	78.9 Å²	78.9	58%	0.575	41%	0.411	S	S	*	.	H	α-helix	trans	-64.3	-48.9	177.4	-91	-72	0	0	0	111.7	K27 A28 E29 R33 L34 M35	K27-F31 WeakPolarHBondContact O-CB 3.36Å; K27-F31 WeakPolarHBondContact O-CD2 3.38Å; K27-F31 PolarHBondContact O-N 3.42Å; A28-F31 WeakPolarHBondContact O-CB 3.48Å; A28-F31 PolarHBondContact O-N 3.42Å; A28-F31 VanDerWaalsContact O-N 3.08Å; E29-F31 VanDerWaalsContact C-N 3.32Å; E29-F31 PolarHBondContact O-N 3.49Å; F31-R33 VanDerWaalsContact C-N 3.31Å; F31-R33 PolarHBondContact O-N 3.29Å; F31-L34 PolarHBondContact O-N 3.12Å; F31-M35 WeakPolarHBondContact O-CB 3.4Å; F31-M35 VanDerWaalsContact O-CG 3.28Å; F31-M35 WeakPolarHBondContact O-CG 3.43Å; F31-M35 PolarHBondContact O-N 3.01Å
32	D	83.2	Confident	81.7	Confident	105 Å²	105	78 Å²	78	56%	0.561	40%	0.4	S	S	*	.	H	α-helix	trans	-60.9	-42.2	-179.1	-71.4	-25.4	0	0	0	111	A28 E29 M35 D36	A28-D32 PolarHBondContact O-N 2.87Å; E29-D32 PolarHBondContact O-N 3.33Å; D32-M35 WeakPolarHBondContact O-CB 3.5Å; D32-M35 PolarHBondContact O-N 3.43Å; D32-D36 PolarHBondContact O-N 2.98Å
33	R	80.7	Confident	81.2	Confident	42 Å²	42	81.4 Å²	81.4	16%	0.158	41%	0.405	C	S	.	.	H	α-helix	trans	-68.4	-41.5	175.9	-69.6	-178.2	-156.2	176.2	8.8	113.3	T5 T8 E29 F31 M35 D36 D37	T5-R33 PolarHBondContact O-NH1 2.76Å; T8-R33 VanDerWaalsContact C-NH2 3.27Å; T8-R33 VanDerWaalsContact CB-CZ 3.41Å; T8-R33 VanDerWaalsContact CB-NH1 3.31Å; T8-R33 VanDerWaalsContact CG2-CZ 3.46Å; T8-R33 PolarHBondContact O-NH2 3.42Å; E29-R33 WeakPolarHBondContact O-CB 3.28Å; E29-R33 VanDerWaalsContact O-CG 3.28Å; E29-R33 WeakPolarHBondContact O-CG 3.43Å; E29-R33 PolarHBondContact O-N 2.94Å; E29-R33 IonicContact OE2-CZ 3.9Å; E29-R33 IonicContact OE2-NE 2.93Å; E29-R33 PolarHBondContact OE2-NE 3.07Å; E29-R33 IonicContact OE2-NH2 2.86Å; E29-R33 PolarHBondContact OE2-NH2 2.83Å; F31-R33 VanDerWaalsContact C-N 3.31Å; F31-R33 PolarHBondContact O-N 3.29Å; R33-M35 PolarHBondContact O-N 3.23Å; R33-D36 PolarHBondContact O-N 3.19Å; R33-D37 WeakPolarHBondContact O-CB 3.42Å; R33-D37 PolarHBondContact O-N 3.11Å
34	L	80	Confident	80.8	Confident	88 Å²	88	79.9 Å²	79.9	46%	0.461	40%	0.4	S	S	.	.	H	α-helix	trans	-61.3	-35.9	173.8	-76.1	170	0	0	0	111	C30 F31 R38	C30-L34 VanDerWaalsContact O-CB 3.31Å; C30-L34 WeakPolarHBondContact O-CB 3.49Å; C30-L34 WeakPolarHBondContact O-CD1 3.33Å; C30-L34 WeakPolarHBondContact O-CG 3.44Å; C30-L34 PolarHBondContact O-N 3.35Å; F31-L34 PolarHBondContact O-N 3.12Å; L34-R38 VanDerWaalsContact O-CB 3.24Å; L34-R38 WeakPolarHBondContact O-CB 3.38Å; L34-R38 PolarHBondContact O-N 3.36Å
35	M	77.5	Confident	80.1	Confident	99 Å²	99	77.1 Å²	77.1	49%	0.488	39%	0.386	S	S	.	.	H	α-helix	trans	-69.5	-42.2	174.6	-70.9	-58.7	96.3	0	0	112.1	F31 D32 R33 R38 A39	F31-M35 WeakPolarHBondContact O-CB 3.4Å; F31-M35 VanDerWaalsContact O-CG 3.28Å; F31-M35 WeakPolarHBondContact O-CG 3.43Å; F31-M35 PolarHBondContact O-N 3.01Å; D32-M35 WeakPolarHBondContact O-CB 3.5Å; D32-M35 PolarHBondContact O-N 3.43Å; R33-M35 PolarHBondContact O-N 3.23Å; M35-R38 PolarHBondContact O-N 3.37Å; M35-A39 WeakPolarHBondContact O-CB 3.49Å; M35-A39 PolarHBondContact O-N 3.31Å
36	D	76.6	Confident	79.4	Confident	99 Å²	99	76.7 Å²	76.7	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-69.3	-41.8	178	-167.3	34.9	0	0	0	112.3	D32 R33 R38 A39 H40 R43	D32-D36 PolarHBondContact O-N 2.98Å; R33-D36 PolarHBondContact O-N 3.19Å; D36-R38 VanDerWaalsContact C-N 3.33Å; D36-R38 PolarHBondContact O-N 3.1Å; D36-A39 CarbonylContact O-C 3.56Å; D36-A39 PolarHBondContact O-N 2.86Å; D36-H40 WeakPolarHBondContact O-CB 3.25Å; D36-H40 PolarHBondContact O-N 2.98Å; D36-R43 IonicContact OD1-NH2 3.31Å; D36-R43 PolarHBondContact OD1-NH2 3.23Å
37	D	76.7	Confident	78.8	Confident	45 Å²	45	78.4 Å²	78.4	24%	0.241	39%	0.393	C	S	.	.	H	α-helix	trans	-59.3	-45.1	172.8	-177.3	29.3	0	0	0	110.5	R33 A39 H40 Q41	R33-D37 WeakPolarHBondContact O-CB 3.42Å; R33-D37 PolarHBondContact O-N 3.11Å; D37-A39 PolarHBondContact O-N 2.86Å; D37-H40 PolarHBondContact O-N 3.48Å; D37-Q41 WeakPolarHBondContact O-CB 3.23Å; D37-Q41 VanDerWaalsContact O-CG 3.27Å; D37-Q41 WeakPolarHBondContact O-CG 3.39Å; D37-Q41 PolarHBondContact O-N 3.02Å; D37-Q41 PolarHBondContact OD1-NE2 3.3Å; D37-Q41 PolarHBondContact OD2-NE2 3.48Å
38	R	74.5	Confident	78.4	Confident	138 Å²	138	78.5 Å²	78.5	52%	0.521	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-45.4	174.3	-170.4	-179.3	-176.8	-177.5	2.6	111.6	L34 M35 D36 H40 Q41 I42	L34-R38 VanDerWaalsContact O-CB 3.24Å; L34-R38 WeakPolarHBondContact O-CB 3.38Å; L34-R38 PolarHBondContact O-N 3.36Å; M35-R38 PolarHBondContact O-N 3.37Å; D36-R38 VanDerWaalsContact C-N 3.33Å; D36-R38 PolarHBondContact O-N 3.1Å; R38-H40 VanDerWaalsContact C-N 3.32Å; R38-H40 PolarHBondContact O-N 3.35Å; R38-Q41 PolarHBondContact O-N 2.96Å; R38-I42 HydrophobicContact CG-CD1 3.93Å; R38-I42 VanDerWaalsContact O-CD1 3.3Å; R38-I42 WeakPolarHBondContact O-CD1 3.42Å; R38-I42 VanDerWaalsContact O-CG1 3.26Å; R38-I42 WeakPolarHBondContact O-CG1 3.39Å; R38-I42 PolarHBondContact O-N 2.98Å
39	A	74.4	Confident	78	Confident	38 Å²	38	77.7 Å²	77.7	31%	0.314	39%	0.387	S	S	.	.	H	α-helix	trans	-64.1	-37.2	177.8	0	0	0	0	0	111.9	M35 D36 D37 R43	M35-A39 WeakPolarHBondContact O-CB 3.49Å; M35-A39 PolarHBondContact O-N 3.31Å; D36-A39 CarbonylContact O-C 3.56Å; D36-A39 PolarHBondContact O-N 2.86Å; D37-A39 PolarHBondContact O-N 2.86Å; A39-R43 WeakPolarHBondContact O-CB 3.4Å; A39-R43 VanDerWaalsContact O-CG 3.25Å; A39-R43 WeakPolarHBondContact O-CG 3.36Å; A39-R43 PolarHBondContact O-N 3.48Å; A39-R43 PolarHBondContact O-NE 3.24Å
40	H	75.2	Confident	77.7	Confident	100 Å²	100	80.3 Å²	80.3	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-64.6	-48.5	173.4	-173.3	-75.5	0	0	0	111.1	D36 D37 R38 I42 R43 Q44	D36-H40 WeakPolarHBondContact O-CB 3.25Å; D36-H40 PolarHBondContact O-N 2.98Å; D37-H40 PolarHBondContact O-N 3.48Å; R38-H40 VanDerWaalsContact C-N 3.32Å; R38-H40 PolarHBondContact O-N 3.35Å; H40-I42 VanDerWaalsContact C-N 3.31Å; H40-I42 PolarHBondContact O-N 2.92Å; H40-R43 WeakPolarHBondContact O-CB 3.36Å; H40-R43 PolarHBondContact O-N 2.93Å; H40-Q44 WeakPolarHBondContact O-CB 3.32Å; H40-Q44 PolarHBondContact O-N 3.16Å
41	Q	74.6	Confident	77.5	Confident	103 Å²	103	79 Å²	79	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-59.2	-41.2	176.5	-72.6	170.8	35.3	0	0	112.2	D37 R38 Q44 A45	D37-Q41 WeakPolarHBondContact O-CB 3.23Å; D37-Q41 VanDerWaalsContact O-CG 3.27Å; D37-Q41 WeakPolarHBondContact O-CG 3.39Å; D37-Q41 PolarHBondContact O-N 3.02Å; D37-Q41 PolarHBondContact OD1-NE2 3.3Å; D37-Q41 PolarHBondContact OD2-NE2 3.48Å; R38-Q41 PolarHBondContact O-N 2.96Å; Q41-Q44 PolarHBondContact O-N 2.84Å; Q41-A45 VanDerWaalsContact O-CB 3.23Å; Q41-A45 WeakPolarHBondContact O-CB 3.45Å; Q41-A45 PolarHBondContact O-N 3.41Å
42	I	73.4	Confident	77.1	Confident	28 Å²	28	76.4 Å²	76.4	14%	0.144	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-49.2	174.2	-70.4	156.2	0	0	0	110.5	R38 H40 Q44 A45 I46 M67 P68	R38-I42 HydrophobicContact CG-CD1 3.93Å; R38-I42 VanDerWaalsContact O-CD1 3.3Å; R38-I42 WeakPolarHBondContact O-CD1 3.42Å; R38-I42 VanDerWaalsContact O-CG1 3.26Å; R38-I42 WeakPolarHBondContact O-CG1 3.39Å; R38-I42 PolarHBondContact O-N 2.98Å; H40-I42 VanDerWaalsContact C-N 3.31Å; H40-I42 PolarHBondContact O-N 2.92Å; I42-Q44 VanDerWaalsContact C-N 3.29Å; I42-Q44 PolarHBondContact O-N 2.96Å; I42-A45 PolarHBondContact O-N 3.3Å; I42-I46 HydrophobicContact CG2-CD1 3.56Å; I42-I46 HydrophobicContact CG2-CG1 4.41Å; I42-I46 WeakPolarHBondContact O-CB 3.17Å; I42-I46 WeakPolarHBondContact O-CD1 3.38Å; I42-I46 WeakPolarHBondContact O-CG1 3.45Å; I42-I46 PolarHBondContact O-N 3.23Å; I42-M67 HydrophobicContact CG2-SD 4.42Å; I42-P68 HydrophobicContact CD1-CB 3.87Å; I42-P68 HydrophobicContact CD1-CG 3.6Å
43	R	74.7	Confident	76.7	Confident	133 Å²	133	75.1 Å²	75.1	50%	0.502	40%	0.403	S	S	.	.	H	α-helix	trans	-56.8	-44.6	177.4	-79.7	179.4	-73.4	-177	-3.9	111.4	D36 A39 H40 I46 T47	D36-R43 IonicContact OD1-NH2 3.31Å; D36-R43 PolarHBondContact OD1-NH2 3.23Å; A39-R43 WeakPolarHBondContact O-CB 3.4Å; A39-R43 VanDerWaalsContact O-CG 3.25Å; A39-R43 WeakPolarHBondContact O-CG 3.36Å; A39-R43 PolarHBondContact O-N 3.48Å; A39-R43 PolarHBondContact O-NE 3.24Å; H40-R43 WeakPolarHBondContact O-CB 3.36Å; H40-R43 PolarHBondContact O-N 2.93Å; R43-I46 PolarHBondContact O-N 2.99Å; R43-T47 WeakPolarHBondContact O-CB 3.47Å; R43-T47 PolarHBondContact O-N 3.05Å; R43-T47 PolarHBondContact O-OG1 3.39Å
44	Q	77	Confident	76.9	Confident	99 Å²	99	76.8 Å²	76.8	46%	0.463	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-52	177.3	-175.7	176.5	8.2	0	0	110.9	H40 Q41 I42 I46 T47 D48	H40-Q44 WeakPolarHBondContact O-CB 3.32Å; H40-Q44 PolarHBondContact O-N 3.16Å; Q41-Q44 PolarHBondContact O-N 2.84Å; I42-Q44 VanDerWaalsContact C-N 3.29Å; I42-Q44 PolarHBondContact O-N 2.96Å; Q44-I46 PolarHBondContact O-N 3.08Å; Q44-I46 VanDerWaalsContact O-N 3.16Å; Q44-T47 PolarHBondContact O-N 3.13Å; Q44-D48 WeakPolarHBondContact CG-OD2 3.38Å; Q44-D48 PolarHBondContact O-N 3.19Å
45	A	76.1	Confident	77.4	Confident	36 Å²	36	75.5 Å²	75.5	30%	0.298	41%	0.406	S	S	.	.	H	α-helix	trans	-56.9	-35.5	179.3	0	0	0	0	0	112.6	Q41 I42 E49 L66	Q41-A45 VanDerWaalsContact O-CB 3.23Å; Q41-A45 WeakPolarHBondContact O-CB 3.45Å; Q41-A45 PolarHBondContact O-N 3.41Å; I42-A45 PolarHBondContact O-N 3.3Å; A45-E49 WeakPolarHBondContact O-CB 3.3Å; A45-E49 PolarHBondContact O-N 2.94Å; A45-L66 HydrophobicContact CB-CD1 4.31Å; A45-L66 HydrophobicContact CB-CD2 4.03Å
46	I	74	Confident	78	Confident	12 Å²	12	70.8 Å²	70.8	6%	0.062	38%	0.383	C	S	.	.	H	α-helix	trans	-74.7	-37	175.6	-71.2	169.2	0	0	0	112.1	I42 R43 Q44 E49 L63 L66 M67 L82	I42-I46 HydrophobicContact CG2-CD1 3.56Å; I42-I46 HydrophobicContact CG2-CG1 4.41Å; I42-I46 WeakPolarHBondContact O-CB 3.17Å; I42-I46 WeakPolarHBondContact O-CD1 3.38Å; I42-I46 WeakPolarHBondContact O-CG1 3.45Å; I42-I46 PolarHBondContact O-N 3.23Å; R43-I46 PolarHBondContact O-N 2.99Å; Q44-I46 PolarHBondContact O-N 3.08Å; Q44-I46 VanDerWaalsContact O-N 3.16Å; I46-E49 PolarHBondContact O-N 3.13Å; I46-L63 HydrophobicContact CG2-CD2 4.39Å; I46-L66 HydrophobicContact CG1-CB 4.04Å; I46-L66 HydrophobicContact CG1-CD1 4.3Å; I46-M67 HydrophobicContact CD1-CG 4.14Å; I46-M67 HydrophobicContact CD1-SD 3.27Å; I46-M67 WeakPolarHBondContact CD1-SD 3.38Å; I46-L82 HydrophobicContact CG2-CD1 3.32Å; I46-L82 HydrophobicContact CG2-CD2 3.91Å; I46-L82 HydrophobicContact CG2-CG 4.19Å
47	T	76.3	Confident	78.7	Confident	84 Å²	84	67.1 Å²	67.1	52%	0.515	37%	0.365	S	S	.	.	H	α-helix	trans	-71.2	-36	-179.6	-58.3	0	0	0	0	111.6	R43 Q44 E49 R86	R43-T47 WeakPolarHBondContact O-CB 3.47Å; R43-T47 PolarHBondContact O-N 3.05Å; R43-T47 PolarHBondContact O-OG1 3.39Å; Q44-T47 PolarHBondContact O-N 3.13Å; T47-E49 VanDerWaalsContact C-N 3.26Å; T47-E49 PolarHBondContact O-N 3.41Å; T47-R86 PolarHBondContact O-NH2 3.02Å
48	D	79.4	Confident	79.4	Confident	104 Å²	104	67.9 Å²	67.9	56%	0.556	37%	0.371	S	S	*	.	S	Bend	trans	-78.8	-12.9	178	-63.4	-19.6	0	0	0	112.2	Q44 E50	Q44-D48 WeakPolarHBondContact CG-OD2 3.38Å; Q44-D48 PolarHBondContact O-N 3.19Å; D48-E50 PolarHBondContact O-N 3.44Å
49	E	79.3	Confident	80.2	Confident	31 Å²	31	61.3 Å²	61.3	15%	0.145	35%	0.347	C	S	.	.			trans	-79.1	112.6	-175.8	-141.3	49.9	123	0	0	111.2	A45 I46 T47 R54 F59 R62 L66	A45-E49 WeakPolarHBondContact O-CB 3.3Å; A45-E49 PolarHBondContact O-N 2.94Å; I46-E49 PolarHBondContact O-N 3.13Å; T47-E49 VanDerWaalsContact C-N 3.26Å; T47-E49 PolarHBondContact O-N 3.41Å; E49-R54 IonicContact OE2-CZ 3.23Å; E49-R54 IonicContact OE2-NH1 3.9Å; E49-R54 IonicContact OE2-NH2 2.74Å; E49-R54 PolarHBondContact OE2-NH2 3.12Å; E49-F59 HydrophobicContact CB-CE2 4.21Å; E49-F59 HydrophobicContact CG-CE2 4.15Å; E49-R62 HydrophobicContact CG-CG 3.87Å; E49-R62 WeakPolarHBondContact OE1-CG 3.47Å; E49-R62 IonicContact OE1-CZ 3.65Å; E49-R62 IonicContact OE1-NE 2.83Å; E49-R62 PolarHBondContact OE1-NE 2.86Å; E49-R62 IonicContact OE1-NH2 3.56Å; E49-L66 HydrophobicContact CB-CD1 4.34Å; E49-L66 HydrophobicContact CG-CD1 3.94Å
50	E	78.7	Confident	81	Confident	122 Å²	122	59.8 Å²	59.8	57%	0.57	33%	0.333	S	S	*	.			trans	-105.1	155	179.6	-65	-174	163.8	0	0	112	D48 A52 R54	D48-E50 PolarHBondContact O-N 3.44Å; E50-A52 HydrophobicContact CB-CB 4.26Å; E50-A52 PolarHBondContact O-N 3.25Å; E50-R54 PolarHBondContact O-NH2 2.7Å
51	L	80.4	Confident	81.7	Confident	23 Å²	23	62.4 Å²	62.4	12%	0.12	34%	0.339	C	S	.	.			trans	-60.2	-35.6	173.5	-172.1	63.7	0	0	0	110.9	G53 R54 P56 F59 L87 L114	L51-G53 VanDerWaalsContact C-N 3.26Å; L51-G53 PolarHBondContact O-N 2.88Å; L51-R54 VanDerWaalsContact CD1-O 3.31Å; L51-R54 WeakPolarHBondContact CD1-O 3.32Å; L51-R54 WeakPolarHBondContact O-CA 3.26Å; L51-R54 VanDerWaalsContact O-CB 3.27Å; L51-R54 WeakPolarHBondContact O-CB 3.27Å; L51-R54 PolarHBondContact O-N 2.69Å; L51-P56 HydrophobicContact CD1-CG 4.19Å; L51-F59 HydrophobicContact CD1-CB 3.7Å; L51-F59 HydrophobicContact CD1-CD1 4.12Å; L51-F59 HydrophobicContact CD1-CG 3.95Å; L51-L87 HydrophobicContact CD2-CD2 4.19Å; L51-L114 HydrophobicContact CD2-CD1 4.26Å
52	A	75.6	Confident	82.3	Confident	75 Å²	75	62 Å²	62	62%	0.62	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.1	42.5	168.1	0	0	0	0	0	115.5	E50 R54	E50-A52 HydrophobicContact CB-CB 4.26Å; E50-A52 PolarHBondContact O-N 3.25Å; A52-R54 PolarHBondContact O-N 3.35Å; A52-R54 VanDerWaalsContact O-N 3.14Å
53	G	76.5	Confident	83	Confident	79 Å²	79	60.9 Å²	60.9	81%	0.814	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	2.6	-178.6	0	0	0	0	0	115.3	L51	L51-G53 VanDerWaalsContact C-N 3.26Å; L51-G53 PolarHBondContact O-N 2.88Å
54	R	83.5	Confident	83.5	Confident	76 Å²	76	59.2 Å²	59.2	29%	0.287	33%	0.325	S	S	.	.	S	Bend	trans	-75.9	148.2	172.7	-59.8	-179.1	-76.4	-166.5	-4.6	109.6	E49 E50 L51 A52	E49-R54 IonicContact OE2-CZ 3.23Å; E49-R54 IonicContact OE2-NH1 3.9Å; E49-R54 IonicContact OE2-NH2 2.74Å; E49-R54 PolarHBondContact OE2-NH2 3.12Å; E50-R54 PolarHBondContact O-NH2 2.7Å; L51-R54 VanDerWaalsContact CD1-O 3.31Å; L51-R54 WeakPolarHBondContact CD1-O 3.32Å; L51-R54 WeakPolarHBondContact O-CA 3.26Å; L51-R54 VanDerWaalsContact O-CB 3.27Å; L51-R54 WeakPolarHBondContact O-CB 3.27Å; L51-R54 PolarHBondContact O-N 2.69Å; A52-R54 PolarHBondContact O-N 3.35Å; A52-R54 VanDerWaalsContact O-N 3.14Å
55	P	90.2	Very high	83.9	Confident	61 Å²	61	61.2 Å²	61.2	40%	0.396	33%	0.334	S	S	.	.			trans	-61.2	134.7	171.8	23.9	-31.5	0	0	0	109.9	S57 V58 F59 D111	P55-S57 PolarHBondContact O-N 3.23Å; P55-S57 VanDerWaalsContact O-N 3.07Å; P55-V58 HydrophobicContact CG-CB 3.96Å; P55-V58 HydrophobicContact CG-CG2 3.63Å; P55-V58 WeakPolarHBondContact O-CB 3.38Å; P55-V58 PolarHBondContact O-N 3.38Å; P55-F59 PolarHBondContact O-N 3.09Å; P55-F59 VanDerWaalsContact O-N 3.13Å; P55-D111 WeakPolarHBondContact CB-OD1 3.09Å
56	P	90.3	Very high	84.2	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-43.1	-38	174.8	-33.5	34.3	0	0	0	115.2	L51 V58 F59 L60 F83 L87 A110 D111 L114	L51-P56 HydrophobicContact CD1-CG 4.19Å; P56-V58 VanDerWaalsContact C-N 3.33Å; P56-V58 PolarHBondContact O-N 3.4Å; P56-F59 PolarHBondContact O-N 3.44Å; P56-L60 WeakPolarHBondContact O-CB 3.35Å; P56-L60 PolarHBondContact O-N 3.05Å; P56-F83 HydrophobicContact CB-CE2 3.92Å; P56-F83 HydrophobicContact CB-CZ 3.82Å; P56-F83 WeakPolarHBondContact O-CE2 3.42Å; P56-L87 HydrophobicContact CB-CD2 3.97Å; P56-L87 HydrophobicContact CG-CD2 3.86Å; P56-A110 HydrophobicContact CB-CB 3.57Å; P56-A110 HydrophobicContact CG-CB 3.65Å; P56-D111 WeakPolarHBondContact CA-OD1 3.3Å; P56-D111 WeakPolarHBondContact CB-OD1 3.28Å; P56-D111 WeakPolarHBondContact CD-OD1 3.38Å; P56-L114 HydrophobicContact CG-CD1 3.46Å; P56-L114 VanDerWaalsContact CG-CD1 3.46Å
57	S	92.7	Very high	84.4	Confident	23 Å²	23	61.8 Å²	61.8	16%	0.161	33%	0.332	C	S	.	.	H	α-helix	trans	-64.3	-33.9	176.6	61.7	0	0	0	0	114.3	P55 R61 D111	P55-S57 PolarHBondContact O-N 3.23Å; P55-S57 VanDerWaalsContact O-N 3.07Å; S57-R61 WeakPolarHBondContact O-CG 3.27Å; S57-R61 PolarHBondContact O-N 2.85Å; S57-D111 WeakPolarHBondContact CB-OD2 3.12Å; S57-D111 PolarHBondContact N-OD1 2.74Å; S57-D111 PolarHBondContact OG-OD1 3.37Å; S57-D111 PolarHBondContact OG-OD2 3.11Å
58	V	91.6	Very high	84.2	Confident	60 Å²	60	59.9 Å²	59.9	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-74.4	-41.8	175.2	172.3	0	0	0	0	110.1	P55 P56 L60 R61 R62	P55-V58 HydrophobicContact CG-CB 3.96Å; P55-V58 HydrophobicContact CG-CG2 3.63Å; P55-V58 WeakPolarHBondContact O-CB 3.38Å; P55-V58 PolarHBondContact O-N 3.38Å; P56-V58 VanDerWaalsContact C-N 3.33Å; P56-V58 PolarHBondContact O-N 3.4Å; V58-L60 VanDerWaalsContact C-N 3.31Å; V58-L60 PolarHBondContact O-N 3.2Å; V58-R61 PolarHBondContact O-N 3.43Å; V58-R62 PolarHBondContact O-N 2.84Å
59	F	91.3	Very high	83.6	Confident	1 Å²	1	60.5 Å²	60.5	0%	0.004	34%	0.34	C	S	.	.	H	α-helix	trans	-58.3	-44	174	174.5	-113.5	0	0	0	111.7	E49 L51 P55 P56 R61 R62 L63 F83 R86	E49-F59 HydrophobicContact CB-CE2 4.21Å; E49-F59 HydrophobicContact CG-CE2 4.15Å; L51-F59 HydrophobicContact CD1-CB 3.7Å; L51-F59 HydrophobicContact CD1-CD1 4.12Å; L51-F59 HydrophobicContact CD1-CG 3.95Å; P55-F59 PolarHBondContact O-N 3.09Å; P55-F59 VanDerWaalsContact O-N 3.13Å; P56-F59 PolarHBondContact O-N 3.44Å; F59-R61 PolarHBondContact O-N 3.34Å; F59-R62 WeakPolarHBondContact O-CB 3.46Å; F59-R62 PolarHBondContact O-N 3.49Å; F59-R62 VanDerWaalsContact O-N 3.12Å; F59-L63 HydrophobicContact CD1-CD1 4.22Å; F59-L63 HydrophobicContact CE1-CD1 3.57Å; F59-L63 HydrophobicContact CE1-CG 4.13Å; F59-L63 HydrophobicContact CE2-CD1 4.41Å; F59-L63 HydrophobicContact CE2-CD2 4.04Å; F59-L63 HydrophobicContact CE2-CG 4.1Å; F59-L63 HydrophobicContact CZ-CD1 3.66Å; F59-L63 HydrophobicContact CZ-CD2 3.85Å; F59-L63 HydrophobicContact CZ-CG 3.83Å; F59-L63 PolarHBondContact O-N 3.07Å; F59-F83 AromaticContact CD1-CD2 3.78Å; F59-F83 HydrophobicContact CD1-CD2 3.78Å; F59-F83 HydrophobicContact CD1-CE2 4.1Å; F59-F83 HydrophobicContact CE1-CD2 4.11Å; F59-R86 HydrophobicContact CE1-CB 3.76Å; F59-R86 HydrophobicContact CE1-CG 4.16Å; F59-R86 HydrophobicContact CZ-CB 3.86Å; F59-R86 HydrophobicContact CZ-CG 3.83Å
60	L	90.8	Very high	82.9	Confident	5 Å²	5	60.7 Å²	60.7	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-58.9	-46.6	175.5	176.5	62.2	0	0	0	112.3	P56 V58 R62 L63 Q64 I79 F83 L103 A107	P56-L60 WeakPolarHBondContact O-CB 3.35Å; P56-L60 PolarHBondContact O-N 3.05Å; V58-L60 VanDerWaalsContact C-N 3.31Å; V58-L60 PolarHBondContact O-N 3.2Å; L60-R62 PolarHBondContact O-N 3.12Å; L60-L63 PolarHBondContact O-N 3.17Å; L60-Q64 HydrophobicContact CD1-CG 4.47Å; L60-Q64 WeakPolarHBondContact O-CG 3.39Å; L60-Q64 PolarHBondContact O-N 3.26Å; L60-I79 HydrophobicContact CD1-CG2 3.67Å; L60-F83 HydrophobicContact CB-CD2 3.94Å; L60-F83 HydrophobicContact CB-CE2 3.95Å; L60-F83 HydrophobicContact CD1-CB 4.46Å; L60-F83 HydrophobicContact CD1-CD2 4.16Å; L60-F83 HydrophobicContact CD1-CG 4.32Å; L60-L103 HydrophobicContact CD1-CD2 3.38Å; L60-L103 HydrophobicContact CD1-CG 3.59Å; L60-L103 HydrophobicContact CD2-CB 4.39Å; L60-L103 HydrophobicContact CD2-CD2 4.49Å; L60-L103 HydrophobicContact CD2-CG 3.86Å; L60-L103 WeakPolarHBondContact CD2-O 3.33Å; L60-L103 HydrophobicContact CG-CG 4.39Å; L60-A107 HydrophobicContact CB-CB 4.21Å; L60-A107 HydrophobicContact CD2-CB 3.71Å
61	R	89.3	Confident	81.9	Confident	155 Å²	155	60 Å²	60	59%	0.585	36%	0.356	S	S	*	.	H	α-helix	trans	-60.1	-37.5	176.7	-72.9	177.4	-169.8	164.2	4.6	111.4	S57 V58 F59 Q64 Q65	S57-R61 WeakPolarHBondContact O-CG 3.27Å; S57-R61 PolarHBondContact O-N 2.85Å; V58-R61 PolarHBondContact O-N 3.43Å; F59-R61 PolarHBondContact O-N 3.34Å; R61-Q64 PolarHBondContact O-N 3.39Å; R61-Q65 VanDerWaalsContact O-CG 3.28Å; R61-Q65 WeakPolarHBondContact O-CG 3.37Å; R61-Q65 PolarHBondContact O-N 2.8Å
62	R	87.5	Confident	81.1	Confident	96 Å²	96	63.4 Å²	63.4	36%	0.362	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-46.4	176.4	-178.6	57.7	174.1	178.4	2.1	111.3	E49 V58 F59 L60 Q64 Q65 L66	E49-R62 HydrophobicContact CG-CG 3.87Å; E49-R62 WeakPolarHBondContact OE1-CG 3.47Å; E49-R62 IonicContact OE1-CZ 3.65Å; E49-R62 IonicContact OE1-NE 2.83Å; E49-R62 PolarHBondContact OE1-NE 2.86Å; E49-R62 IonicContact OE1-NH2 3.56Å; V58-R62 PolarHBondContact O-N 2.84Å; F59-R62 WeakPolarHBondContact O-CB 3.46Å; F59-R62 PolarHBondContact O-N 3.49Å; F59-R62 VanDerWaalsContact O-N 3.12Å; L60-R62 PolarHBondContact O-N 3.12Å; R62-Q64 VanDerWaalsContact C-N 3.3Å; R62-Q64 PolarHBondContact O-N 3.02Å; R62-Q65 WeakPolarHBondContact O-CB 3.21Å; R62-Q65 PolarHBondContact O-N 2.92Å; R62-Q65 VanDerWaalsContact O-N 3.11Å; R62-L66 HydrophobicContact CG-CD1 4.32Å; R62-L66 WeakPolarHBondContact O-CG 3.25Å; R62-L66 PolarHBondContact O-N 3.47Å
63	L	87.3	Confident	80.5	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	39%	0.389	C	S	.	.	H	α-helix	trans	-57.1	-44.1	174.2	-67.7	-179.8	0	0	0	111.7	I46 F59 L60 Q65 L66 M67 I79 L82 F83	I46-L63 HydrophobicContact CG2-CD2 4.39Å; F59-L63 HydrophobicContact CD1-CD1 4.22Å; F59-L63 HydrophobicContact CE1-CD1 3.57Å; F59-L63 HydrophobicContact CE1-CG 4.13Å; F59-L63 HydrophobicContact CE2-CD1 4.41Å; F59-L63 HydrophobicContact CE2-CD2 4.04Å; F59-L63 HydrophobicContact CE2-CG 4.1Å; F59-L63 HydrophobicContact CZ-CD1 3.66Å; F59-L63 HydrophobicContact CZ-CD2 3.85Å; F59-L63 HydrophobicContact CZ-CG 3.83Å; F59-L63 PolarHBondContact O-N 3.07Å; L60-L63 PolarHBondContact O-N 3.17Å; L63-Q65 VanDerWaalsContact C-N 3.29Å; L63-Q65 PolarHBondContact O-N 3.35Å; L63-L66 PolarHBondContact O-N 2.84Å; L63-M67 WeakPolarHBondContact O-CG 3.37Å; L63-M67 PolarHBondContact O-N 3.48Å; L63-I79 HydrophobicContact CB-CG2 4.04Å; L63-I79 HydrophobicContact CD1-CG2 4.32Å; L63-L82 HydrophobicContact CD1-CB 4.31Å; L63-F83 HydrophobicContact CD1-CB 4.1Å
64	Q	86.6	Confident	80.1	Confident	99 Å²	99	65.7 Å²	65.7	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-33.9	177.2	-70.9	173.4	-26.7	0	0	113	L60 R61 R62 I79	L60-Q64 HydrophobicContact CD1-CG 4.47Å; L60-Q64 WeakPolarHBondContact O-CG 3.39Å; L60-Q64 PolarHBondContact O-N 3.26Å; R61-Q64 PolarHBondContact O-N 3.39Å; R62-Q64 VanDerWaalsContact C-N 3.3Å; R62-Q64 PolarHBondContact O-N 3.02Å; Q64-I79 HydrophobicContact CG-CD1 4.19Å; Q64-I79 HydrophobicContact CG-CG2 4.43Å
65	Q	83.9	Confident	79.8	Confident	141 Å²	141	63.6 Å²	63.6	66%	0.659	36%	0.364	S	S	*	.	H	α-helix	trans	-75.4	-31.1	177	-73.5	171.9	-11.8	0	0	113.4	R61 R62 L63 M67	R61-Q65 VanDerWaalsContact O-CG 3.28Å; R61-Q65 WeakPolarHBondContact O-CG 3.37Å; R61-Q65 PolarHBondContact O-N 2.8Å; R62-Q65 WeakPolarHBondContact O-CB 3.21Å; R62-Q65 PolarHBondContact O-N 2.92Å; R62-Q65 VanDerWaalsContact O-N 3.11Å; L63-Q65 VanDerWaalsContact C-N 3.29Å; L63-Q65 PolarHBondContact O-N 3.35Å; Q65-M67 VanDerWaalsContact C-N 3.33Å
66	L	82.7	Confident	79.5	Confident	31 Å²	31	65 Å²	65	16%	0.162	37%	0.365	C	S	.	.	H	α-helix	trans	-75.4	-25.9	177.6	-69	175.9	0	0	0	112.1	A45 I46 E49 R62 L63	A45-L66 HydrophobicContact CB-CD1 4.31Å; A45-L66 HydrophobicContact CB-CD2 4.03Å; I46-L66 HydrophobicContact CG1-CB 4.04Å; I46-L66 HydrophobicContact CG1-CD1 4.3Å; E49-L66 HydrophobicContact CB-CD1 4.34Å; E49-L66 HydrophobicContact CG-CD1 3.94Å; R62-L66 HydrophobicContact CG-CD1 4.32Å; R62-L66 WeakPolarHBondContact O-CG 3.25Å; R62-L66 PolarHBondContact O-N 3.47Å; L63-L66 PolarHBondContact O-N 2.84Å
67	M	78.7	Confident	79.1	Confident	29 Å²	29	67.6 Å²	67.6	14%	0.143	38%	0.383	C	S	.	.	S	Bend	trans	-74.3	131	179.4	-70.8	-69.5	-72.9	0	0	111.1	I42 I46 L63 Q65 N75 V78 I79	I42-M67 HydrophobicContact CG2-SD 4.42Å; I46-M67 HydrophobicContact CD1-CG 4.14Å; I46-M67 HydrophobicContact CD1-SD 3.27Å; I46-M67 WeakPolarHBondContact CD1-SD 3.38Å; L63-M67 WeakPolarHBondContact O-CG 3.37Å; L63-M67 PolarHBondContact O-N 3.48Å; Q65-M67 VanDerWaalsContact C-N 3.33Å; M67-N75 HydrophobicContact CE-CB 3.73Å; M67-N75 WeakPolarHBondContact CE-OD1 3.41Å; M67-V78 HydrophobicContact CE-CB 4.42Å; M67-V78 HydrophobicContact CE-CG1 4.25Å; M67-I79 HydrophobicContact CB-CD1 4.23Å; M67-I79 HydrophobicContact CE-CG1 4.42Å; M67-I79 HydrophobicContact CG-CD1 3.79Å; M67-I79 HydrophobicContact CG-CG1 3.65Å; M67-I79 HydrophobicContact SD-CG1 4.48Å
68	P	71	Confident	78.7	Confident	43 Å²	43	69.3 Å²	69.3	28%	0.279	39%	0.392	S	S	.	.			trans	-65.2	153.2	176.7	29.3	-35.2	0	0	0	109.6	I42 G70 N75	I42-P68 HydrophobicContact CD1-CB 3.87Å; I42-P68 HydrophobicContact CD1-CG 3.6Å; P68-G70 PolarHBondContact O-N 2.93Å; P68-N75 PolarHBondContact O-ND2 2.96Å
69	A	67.4	Low	78.5	Confident	117 Å²	117	67.1 Å²	67.1	97%	0.967	38%	0.378	S	S	*	.	S	Bend	trans	-65.1	81.1	171.6	0	0	0	0	0	110
70	G	64.7	Low	78.4	Confident	35 Å²	35	69.6 Å²	69.6	36%	0.361	39%	0.388	S	S	.	.			trans	-111.3	-175.7	177.9	0	0	0	0	0	111.4	P68 S72 N75	P68-G70 PolarHBondContact O-N 2.93Å; G70-S72 PolarHBondContact O-N 3.17Å; G70-N75 PolarHBondContact N-ND2 3.47Å
71	P	58.9	Low	78.2	Confident	107 Å²	107	76 Å²	76	70%	0.695	42%	0.417	S	S	*	.			trans	-55.1	116.6	177.2	23.8	-32.6	0	0	0	109.5	Q73 G74 N75	P71-Q73 PolarHBondContact O-N 3.38Å; P71-G74 PolarHBondContact O-N 3.28Å; P71-N75 PolarHBondContact O-N 2.93Å
72	S	61.8	Low	78.1	Confident	95 Å²	95	70.5 Å²	70.5	66%	0.664	40%	0.399	S	S	*	.	H	α-helix	trans	-53.3	-35.4	-167.6	49.1	0	0	0	0	113.5	G70 E76	G70-S72 PolarHBondContact O-N 3.17Å; S72-E76 WeakPolarHBondContact O-CB 3.26Å; S72-E76 PolarHBondContact O-N 3.38Å; S72-E76 VanDerWaalsContact O-N 3.13Å
73	Q	63	Low	78.2	Confident	165 Å²	165	65.9 Å²	65.9	77%	0.771	38%	0.382	S	S	*	.	H	α-helix	trans	-70	-43.5	-177.5	-66.9	-177.1	3.6	0	0	113.6	P71 E76 S77	P71-Q73 PolarHBondContact O-N 3.38Å; Q73-E76 PolarHBondContact O-N 3.33Å; Q73-S77 PolarHBondContact O-N 3.32Å
74	G	68.6	Low	78.3	Confident	37 Å²	37	67.4 Å²	67.4	38%	0.381	39%	0.39	S	S	.	.	H	α-helix	trans	-69.7	-36.6	-179.4	0	0	0	0	0	112	P71 S77 V78	P71-G74 PolarHBondContact O-N 3.28Å; G74-S77 PolarHBondContact O-OG 3.5Å; G74-S77 VanDerWaalsContact O-OG 3.08Å; G74-V78 WeakPolarHBondContact O-CG2 3.35Å; G74-V78 PolarHBondContact O-N 3.24Å
75	N	78	Confident	78.4	Confident	33 Å²	33	66.1 Å²	66.1	18%	0.176	39%	0.392	C	S	.	.	H	α-helix	trans	-67.3	-38.4	176	-70.6	-3.1	0	0	0	111.5	M67 P68 G70 P71 V78 I79	M67-N75 HydrophobicContact CE-CB 3.73Å; M67-N75 WeakPolarHBondContact CE-OD1 3.41Å; P68-N75 PolarHBondContact O-ND2 2.96Å; G70-N75 PolarHBondContact N-ND2 3.47Å; P71-N75 PolarHBondContact O-N 2.93Å; N75-V78 PolarHBondContact O-N 3.23Å; N75-I79 HydrophobicContact CB-CD1 4.46Å; N75-I79 WeakPolarHBondContact O-CB 3.38Å; N75-I79 VanDerWaalsContact O-CD1 3.32Å; N75-I79 WeakPolarHBondContact O-CD1 3.33Å; N75-I79 WeakPolarHBondContact O-CG1 3.35Å; N75-I79 PolarHBondContact O-N 2.95Å
76	E	82.9	Confident	78.6	Confident	90 Å²	90	63.2 Å²	63.2	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-65.5	-42.1	-178	-165.8	-170.3	142	0	0	112.8	S72 Q73 I79 R80	S72-E76 WeakPolarHBondContact O-CB 3.26Å; S72-E76 PolarHBondContact O-N 3.38Å; S72-E76 VanDerWaalsContact O-N 3.13Å; Q73-E76 PolarHBondContact O-N 3.33Å; E76-I79 PolarHBondContact O-N 3.23Å; E76-R80 VanDerWaalsContact O-CB 3.3Å; E76-R80 WeakPolarHBondContact O-CB 3.29Å; E76-R80 PolarHBondContact O-N 3.09Å; E76-R80 IonicContact OE1-CZ 3.22Å; E76-R80 IonicContact OE1-NH1 3.36Å; E76-R80 PolarHBondContact OE1-NH1 3.5Å; E76-R80 IonicContact OE1-NH2 3.52Å; E76-R80 PolarHBondContact OE1-NH2 3.01Å
77	S	82.8	Confident	79	Confident	55 Å²	55	62 Å²	62	39%	0.385	37%	0.369	S	S	.	.	H	α-helix	trans	-64.5	-42.3	178.7	63.9	0	0	0	0	111.8	Q73 G74 R80 Q81	Q73-S77 PolarHBondContact O-N 3.32Å; G74-S77 PolarHBondContact O-OG 3.5Å; G74-S77 VanDerWaalsContact O-OG 3.08Å; S77-R80 PolarHBondContact O-N 3.44Å; S77-Q81 WeakPolarHBondContact O-CG 3.49Å; S77-Q81 PolarHBondContact O-N 3.13Å
78	V	83.2	Confident	79.5	Confident	59 Å²	59	62.8 Å²	62.8	36%	0.358	38%	0.376	S	S	.	.	H	α-helix	trans	-63.2	-48.9	175.9	173	0	0	0	0	110.6	M67 G74 N75 R80 Q81 L82	M67-V78 HydrophobicContact CE-CB 4.42Å; M67-V78 HydrophobicContact CE-CG1 4.25Å; G74-V78 WeakPolarHBondContact O-CG2 3.35Å; G74-V78 PolarHBondContact O-N 3.24Å; N75-V78 PolarHBondContact O-N 3.23Å; V78-R80 VanDerWaalsContact C-N 3.31Å; V78-R80 PolarHBondContact O-N 3.29Å; V78-Q81 PolarHBondContact O-N 2.98Å; V78-L82 HydrophobicContact CG1-CD1 3.61Å; V78-L82 HydrophobicContact CG1-CG 4.41Å; V78-L82 WeakPolarHBondContact O-CB 3.21Å; V78-L82 WeakPolarHBondContact O-CD1 3.32Å; V78-L82 VanDerWaalsContact O-CG 3.26Å; V78-L82 WeakPolarHBondContact O-CG 3.41Å; V78-L82 PolarHBondContact O-N 3.43Å
79	I	87.6	Confident	80.4	Confident	13 Å²	13	67.4 Å²	67.4	7%	0.067	39%	0.394	C	S	.	.	H	α-helix	trans	-60.2	-41.8	177	-64.3	161.6	0	0	0	110.5	L60 L63 Q64 M67 N75 E76 L82 F83 L103	L60-I79 HydrophobicContact CD1-CG2 3.67Å; L63-I79 HydrophobicContact CB-CG2 4.04Å; L63-I79 HydrophobicContact CD1-CG2 4.32Å; Q64-I79 HydrophobicContact CG-CD1 4.19Å; Q64-I79 HydrophobicContact CG-CG2 4.43Å; M67-I79 HydrophobicContact CB-CD1 4.23Å; M67-I79 HydrophobicContact CE-CG1 4.42Å; M67-I79 HydrophobicContact CG-CD1 3.79Å; M67-I79 HydrophobicContact CG-CG1 3.65Å; M67-I79 HydrophobicContact SD-CG1 4.48Å; N75-I79 HydrophobicContact CB-CD1 4.46Å; N75-I79 WeakPolarHBondContact O-CB 3.38Å; N75-I79 VanDerWaalsContact O-CD1 3.32Å; N75-I79 WeakPolarHBondContact O-CD1 3.33Å; N75-I79 WeakPolarHBondContact O-CG1 3.35Å; N75-I79 PolarHBondContact O-N 2.95Å; E76-I79 PolarHBondContact O-N 3.23Å; I79-L82 PolarHBondContact O-N 2.73Å; I79-F83 WeakPolarHBondContact O-CB 3.3Å; I79-F83 PolarHBondContact O-N 2.8Å; I79-L103 HydrophobicContact CB-CD2 4.36Å; I79-L103 HydrophobicContact CG2-CD2 3.71Å
80	R	89.1	Confident	81.4	Confident	54 Å²	54	67.3 Å²	67.3	20%	0.204	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-50.3	178	177.3	-178.6	-87.9	103.8	-4.6	111.2	E76 S77 V78 L82 F83 L84 K101 L103	E76-R80 VanDerWaalsContact O-CB 3.3Å; E76-R80 WeakPolarHBondContact O-CB 3.29Å; E76-R80 PolarHBondContact O-N 3.09Å; E76-R80 IonicContact OE1-CZ 3.22Å; E76-R80 IonicContact OE1-NH1 3.36Å; E76-R80 PolarHBondContact OE1-NH1 3.5Å; E76-R80 IonicContact OE1-NH2 3.52Å; E76-R80 PolarHBondContact OE1-NH2 3.01Å; S77-R80 PolarHBondContact O-N 3.44Å; V78-R80 VanDerWaalsContact C-N 3.31Å; V78-R80 PolarHBondContact O-N 3.29Å; R80-L82 PolarHBondContact O-N 3.36Å; R80-F83 PolarHBondContact O-N 3.31Å; R80-L84 HydrophobicContact CG-CD1 4.17Å; R80-L84 WeakPolarHBondContact O-CG 3.32Å; R80-L84 PolarHBondContact O-N 2.9Å; R80-K101 PolarHBondContact NH2-O 3.15Å; R80-L103 HydrophobicContact CB-CD1 4.29Å; R80-L103 HydrophobicContact CB-CD2 4.08Å; R80-L103 HydrophobicContact CG-CD1 4.2Å
81	Q	87.1	Confident	82.7	Confident	138 Å²	138	66 Å²	66	65%	0.645	36%	0.358	S	S	*	.	H	α-helix	trans	-61.5	-45.4	179.5	-73.1	176.1	-3.4	0	0	112	S77 V78 L84 S85	S77-Q81 WeakPolarHBondContact O-CG 3.49Å; S77-Q81 PolarHBondContact O-N 3.13Å; V78-Q81 PolarHBondContact O-N 2.98Å; Q81-L84 PolarHBondContact O-N 2.88Å; Q81-S85 WeakPolarHBondContact O-CB 3.48Å; Q81-S85 PolarHBondContact O-N 3.43Å; Q81-S85 PolarHBondContact O-OG 2.98Å
82	L	87.1	Confident	84.3	Confident	40 Å²	40	64 Å²	64	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-41.6	176.7	-71.5	163.3	0	0	0	112.2	I46 L63 V78 I79 R80 S85 R86	I46-L82 HydrophobicContact CG2-CD1 3.32Å; I46-L82 HydrophobicContact CG2-CD2 3.91Å; I46-L82 HydrophobicContact CG2-CG 4.19Å; L63-L82 HydrophobicContact CD1-CB 4.31Å; V78-L82 HydrophobicContact CG1-CD1 3.61Å; V78-L82 HydrophobicContact CG1-CG 4.41Å; V78-L82 WeakPolarHBondContact O-CB 3.21Å; V78-L82 WeakPolarHBondContact O-CD1 3.32Å; V78-L82 VanDerWaalsContact O-CG 3.26Å; V78-L82 WeakPolarHBondContact O-CG 3.41Å; V78-L82 PolarHBondContact O-N 3.43Å; I79-L82 PolarHBondContact O-N 2.73Å; R80-L82 PolarHBondContact O-N 3.36Å; L82-S85 PolarHBondContact O-OG 3.44Å; L82-S85 VanDerWaalsContact O-OG 3.08Å; L82-R86 WeakPolarHBondContact O-CG 3.15Å; L82-R86 PolarHBondContact O-N 3.39Å
83	F	90.5	Very high	85.7	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.6	-51.7	177.9	175.9	-102.3	0	0	0	110.6	P56 F59 L60 L63 I79 R80 R86 L87 L103 A107 A110	P56-F83 HydrophobicContact CB-CE2 3.92Å; P56-F83 HydrophobicContact CB-CZ 3.82Å; P56-F83 WeakPolarHBondContact O-CE2 3.42Å; F59-F83 AromaticContact CD1-CD2 3.78Å; F59-F83 HydrophobicContact CD1-CD2 3.78Å; F59-F83 HydrophobicContact CD1-CE2 4.1Å; F59-F83 HydrophobicContact CE1-CD2 4.11Å; L60-F83 HydrophobicContact CB-CD2 3.94Å; L60-F83 HydrophobicContact CB-CE2 3.95Å; L60-F83 HydrophobicContact CD1-CB 4.46Å; L60-F83 HydrophobicContact CD1-CD2 4.16Å; L60-F83 HydrophobicContact CD1-CG 4.32Å; L63-F83 HydrophobicContact CD1-CB 4.1Å; I79-F83 WeakPolarHBondContact O-CB 3.3Å; I79-F83 PolarHBondContact O-N 2.8Å; R80-F83 PolarHBondContact O-N 3.31Å; F83-R86 PolarHBondContact O-N 3.47Å; F83-L87 HydrophobicContact CD1-CD1 4.33Å; F83-L87 HydrophobicContact CE1-CD1 3.74Å; F83-L87 HydrophobicContact CE1-CG 4.44Å; F83-L87 HydrophobicContact CE2-CD2 4.3Å; F83-L87 HydrophobicContact CZ-CD1 3.99Å; F83-L87 HydrophobicContact CZ-CD2 4.11Å; F83-L87 HydrophobicContact CZ-CG 4.4Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L103 HydrophobicContact CB-CD1 4.23Å; F83-L103 HydrophobicContact CD1-CD1 3.5Å; F83-L103 HydrophobicContact CD1-CG 4.47Å; F83-L103 HydrophobicContact CE1-CD1 4.16Å; F83-L103 HydrophobicContact CG-CD1 4.03Å; F83-A107 HydrophobicContact CE1-CB 4.3Å; F83-A107 HydrophobicContact CE2-CB 4.07Å; F83-A107 HydrophobicContact CZ-CB 3.61Å; F83-A110 HydrophobicContact CZ-CB 4.43Å
84	L	89.5	Confident	87.1	Confident	34 Å²	34	57.4 Å²	57.4	18%	0.178	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-42.1	-178.8	-67.4	175.2	0	0	0	112.3	R80 Q81 R86 L87 Q92	R80-L84 HydrophobicContact CG-CD1 4.17Å; R80-L84 WeakPolarHBondContact O-CG 3.32Å; R80-L84 PolarHBondContact O-N 2.9Å; Q81-L84 PolarHBondContact O-N 2.88Å; L84-R86 PolarHBondContact O-N 3.38Å; L84-L87 HydrophobicContact CD2-CD1 4.36Å; L84-L87 PolarHBondContact O-N 3.41Å; L84-Q92 VanDerWaalsContact O-CD 3.22Å; L84-Q92 WeakPolarHBondContact O-CG 3.36Å; L84-Q92 PolarHBondContact O-NE2 2.91Å
85	S	87.9	Confident	88.2	Confident	73 Å²	73	55.9 Å²	55.9	51%	0.51	29%	0.294	S	S	.	.	H	α-helix	trans	-64.9	-24.2	-178.1	69.7	0	0	0	0	113.7	Q81 L82	Q81-S85 WeakPolarHBondContact O-CB 3.48Å; Q81-S85 PolarHBondContact O-N 3.43Å; Q81-S85 PolarHBondContact O-OG 2.98Å; L82-S85 PolarHBondContact O-OG 3.44Å; L82-S85 VanDerWaalsContact O-OG 3.08Å
86	R	88.6	Confident	88.8	Confident	80 Å²	80	59.8 Å²	59.8	30%	0.302	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.2	179.1	-62.3	-67.4	-175.1	166.9	8.9	114.1	T47 F59 L82 F83 L84	T47-R86 PolarHBondContact O-NH2 3.02Å; F59-R86 HydrophobicContact CE1-CB 3.76Å; F59-R86 HydrophobicContact CE1-CG 4.16Å; F59-R86 HydrophobicContact CZ-CB 3.86Å; F59-R86 HydrophobicContact CZ-CG 3.83Å; L82-R86 WeakPolarHBondContact O-CG 3.15Å; L82-R86 PolarHBondContact O-N 3.39Å; F83-R86 PolarHBondContact O-N 3.47Å; L84-R86 PolarHBondContact O-N 3.38Å
87	L	89.8	Confident	89.2	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.031	33%	0.327	C	S	.	.	S	Bend	trans	-75.3	150.5	175.1	-64.2	-179.7	0	0	0	110.8	L51 P56 F83 L84 V91 Q92 L95 A110	L51-L87 HydrophobicContact CD2-CD2 4.19Å; P56-L87 HydrophobicContact CB-CD2 3.97Å; P56-L87 HydrophobicContact CG-CD2 3.86Å; F83-L87 HydrophobicContact CD1-CD1 4.33Å; F83-L87 HydrophobicContact CE1-CD1 3.74Å; F83-L87 HydrophobicContact CE1-CG 4.44Å; F83-L87 HydrophobicContact CE2-CD2 4.3Å; F83-L87 HydrophobicContact CZ-CD1 3.99Å; F83-L87 HydrophobicContact CZ-CD2 4.11Å; F83-L87 HydrophobicContact CZ-CG 4.4Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; L84-L87 HydrophobicContact CD2-CD1 4.36Å; L84-L87 PolarHBondContact O-N 3.41Å; L87-V91 HydrophobicContact CB-CB 4.46Å; L87-V91 HydrophobicContact CD1-CG1 4.08Å; L87-Q92 HydrophobicContact CB-CG 3.92Å; L87-Q92 PolarHBondContact O-NE2 3.39Å; L87-L95 HydrophobicContact CD1-CD1 3.66Å; L87-A110 HydrophobicContact CD1-CB 4.2Å; L87-A110 HydrophobicContact CD2-CB 4.47Å
88	P	89.5	Confident	89.6	Confident	45 Å²	45	62 Å²	62	29%	0.292	33%	0.326	S	S	.	.			trans	-57.9	141.2	170	-24.3	35	0	0	0	111.3	Q90 V91 Q92 L114	P88-Q90 PolarHBondContact O-N 3.26Å; P88-V91 HydrophobicContact CB-CG2 4.33Å; P88-V91 HydrophobicContact CG-CG2 4.44Å; P88-V91 WeakPolarHBondContact O-CA 3.24Å; P88-V91 WeakPolarHBondContact O-CB 3.31Å; P88-V91 PolarHBondContact O-N 2.95Å; P88-Q92 PolarHBondContact O-N 2.86Å; P88-Q92 VanDerWaalsContact O-N 3.11Å; P88-L114 HydrophobicContact CG-CD2 4.23Å
89	H	89.7	Confident	89.7	Confident	140 Å²	140	63.9 Å²	63.9	65%	0.648	33%	0.331	S	S	*	.	H	α-helix	trans	-49	-42.1	-175.9	-179.5	64.6	0	0	0	113.6	V91 Q92 T93	H89-V91 VanDerWaalsContact C-N 3.3Å; H89-V91 PolarHBondContact O-N 2.83Å; H89-Q92 WeakPolarHBondContact O-CB 3.33Å; H89-Q92 PolarHBondContact O-N 2.84Å; H89-Q92 VanDerWaalsContact O-N 3.12Å; H89-T93 PolarHBondContact O-N 3.44Å; H89-T93 PolarHBondContact O-OG1 3.05Å; H89-T93 VanDerWaalsContact O-OG1 3.05Å
90	Q	89.3	Confident	89.7	Confident	115 Å²	115	71.9 Å²	71.9	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-59.6	-38.5	178.5	-64.2	163.2	-1.2	0	0	112.9	P88 A94	P88-Q90 PolarHBondContact O-N 3.26Å; Q90-A94 PolarHBondContact O-N 3.25Å
91	V	92	Very high	89.7	Confident	6 Å²	6	72.4 Å²	72.4	4%	0.036	37%	0.372	C	S	.	.	H	α-helix	trans	-71.7	-41.1	176.4	-177.8	0	0	0	0	109.8	L87 P88 H89 T93 A94 L95 A110 L113 L114	L87-V91 HydrophobicContact CB-CB 4.46Å; L87-V91 HydrophobicContact CD1-CG1 4.08Å; P88-V91 HydrophobicContact CB-CG2 4.33Å; P88-V91 HydrophobicContact CG-CG2 4.44Å; P88-V91 WeakPolarHBondContact O-CA 3.24Å; P88-V91 WeakPolarHBondContact O-CB 3.31Å; P88-V91 PolarHBondContact O-N 2.95Å; H89-V91 VanDerWaalsContact C-N 3.3Å; H89-V91 PolarHBondContact O-N 2.83Å; V91-T93 VanDerWaalsContact C-N 3.35Å; V91-T93 PolarHBondContact O-N 2.84Å; V91-A94 PolarHBondContact O-N 3.27Å; V91-L95 HydrophobicContact CG1-CD1 3.88Å; V91-L95 HydrophobicContact CG1-CG 4.29Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.43Å; V91-L95 PolarHBondContact O-N 2.98Å; V91-A110 HydrophobicContact CG1-CB 3.89Å; V91-L113 HydrophobicContact CG1-CB 4.45Å; V91-L113 HydrophobicContact CG1-CD1 4.05Å; V91-L114 HydrophobicContact CG2-CD2 3.61Å; V91-L114 HydrophobicContact CG2-CG 4.04Å
92	Q	91.4	Very high	90	Very high	66 Å²	66	69.5 Å²	69.5	31%	0.308	37%	0.365	S	S	.	.	H	α-helix	trans	-57.5	-47.4	175.7	-60.4	179.6	23.5	0	0	111.4	L84 L87 P88 H89 A94 L95 L96	L84-Q92 VanDerWaalsContact O-CD 3.22Å; L84-Q92 WeakPolarHBondContact O-CG 3.36Å; L84-Q92 PolarHBondContact O-NE2 2.91Å; L87-Q92 HydrophobicContact CB-CG 3.92Å; L87-Q92 PolarHBondContact O-NE2 3.39Å; P88-Q92 PolarHBondContact O-N 2.86Å; P88-Q92 VanDerWaalsContact O-N 3.11Å; H89-Q92 WeakPolarHBondContact O-CB 3.33Å; H89-Q92 PolarHBondContact O-N 2.84Å; H89-Q92 VanDerWaalsContact O-N 3.12Å; Q92-A94 VanDerWaalsContact C-N 3.34Å; Q92-A94 PolarHBondContact O-N 3.17Å; Q92-L95 PolarHBondContact O-N 3.17Å; Q92-L95 VanDerWaalsContact O-N 3.13Å; Q92-L96 PolarHBondContact O-N 3.42Å; Q92-L96 VanDerWaalsContact O-N 3.13Å
93	T	92.1	Very high	90.2	Very high	79 Å²	79	68 Å²	68	49%	0.485	36%	0.357	S	S	.	.	H	α-helix	trans	-60.8	-42	178.1	-49.3	0	0	0	0	112.1	H89 V91 L95 L96	H89-T93 PolarHBondContact O-N 3.44Å; H89-T93 PolarHBondContact O-OG1 3.05Å; H89-T93 VanDerWaalsContact O-OG1 3.05Å; V91-T93 VanDerWaalsContact C-N 3.35Å; V91-T93 PolarHBondContact O-N 2.84Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 3.22Å; T93-L96 WeakPolarHBondContact O-CB 3.39Å; T93-L96 PolarHBondContact O-N 3.43Å
94	A	92.1	Very high	90.2	Very high	43 Å²	43	70.6 Å²	70.6	36%	0.355	38%	0.379	S	S	.	.	H	α-helix	trans	-68.4	-24.7	178.2	0	0	0	0	0	113.3	Q90 V91 Q92 L113	Q90-A94 PolarHBondContact O-N 3.25Å; V91-A94 PolarHBondContact O-N 3.27Å; Q92-A94 VanDerWaalsContact C-N 3.34Å; Q92-A94 PolarHBondContact O-N 3.17Å; A94-L113 HydrophobicContact CB-CD1 3.65Å; A94-L113 HydrophobicContact CB-CD2 4.19Å
95	L	92.4	Very high	90.4	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-88.4	-12.7	177.7	-67.6	175.9	0	0	0	113.9	L87 V91 Q92 T93 P97 F98 E99 L106 L109 A110 L113	L87-L95 HydrophobicContact CD1-CD1 3.66Å; V91-L95 HydrophobicContact CG1-CD1 3.88Å; V91-L95 HydrophobicContact CG1-CG 4.29Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.43Å; V91-L95 PolarHBondContact O-N 2.98Å; Q92-L95 PolarHBondContact O-N 3.17Å; Q92-L95 VanDerWaalsContact O-N 3.13Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 3.22Å; L95-P97 VanDerWaalsContact C-CD 3.44Å; L95-F98 CarbonylContact O-C 3.57Å; L95-F98 WeakPolarHBondContact O-CA 3.38Å; L95-F98 WeakPolarHBondContact O-CB 3.4Å; L95-F98 PolarHBondContact O-N 3.15Å; L95-E99 PolarHBondContact O-N 2.93Å; L95-L106 HydrophobicContact CB-CD2 4.24Å; L95-L106 HydrophobicContact CD2-CD2 4.02Å; L95-L109 HydrophobicContact CD2-CB 3.61Å; L95-L109 HydrophobicContact CD2-CD1 4.3Å; L95-A110 HydrophobicContact CD1-CB 4.03Å; L95-L113 HydrophobicContact CD2-CD1 4.05Å; L95-L113 HydrophobicContact CG-CD1 4.22Å
96	L	90.4	Very high	90.7	Very high	115 Å²	115	69 Å²	69	60%	0.602	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-52.4	-42.1	-177.1	-173.9	66	0	0	0	114.1	Q92 T93 F98 E99	Q92-L96 PolarHBondContact O-N 3.42Å; Q92-L96 VanDerWaalsContact O-N 3.13Å; T93-L96 WeakPolarHBondContact O-CB 3.39Å; T93-L96 PolarHBondContact O-N 3.43Å; L96-F98 PolarHBondContact O-N 3.21Å; L96-E99 PolarHBondContact O-N 2.97Å
97	P	91.7	Very high	90.9	Very high	107 Å²	107	65.2 Å²	65.2	70%	0.695	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66.7	-9.7	176.6	-20.6	34.7	0	0	0	114.6	L95	L95-P97 VanDerWaalsContact C-CD 3.44Å
98	F	91	Very high	91.2	Very high	84 Å²	84	72.9 Å²	72.9	37%	0.368	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-114	8.6	-172.5	-61.6	-62.8	0	0	0	112.7	L95 L96 E100 K101 L106 L109	L95-F98 CarbonylContact O-C 3.57Å; L95-F98 WeakPolarHBondContact O-CA 3.38Å; L95-F98 WeakPolarHBondContact O-CB 3.4Å; L95-F98 PolarHBondContact O-N 3.15Å; L96-F98 PolarHBondContact O-N 3.21Å; F98-E100 PolarHBondContact O-N 3.25Å; F98-E100 VanDerWaalsContact O-N 3.12Å; F98-K101 HydrophobicContact CB-CD 3.94Å; F98-K101 HydrophobicContact CD1-CD 3.75Å; F98-K101 HydrophobicContact CG-CD 4.22Å; F98-K101 WeakPolarHBondContact O-CB 3.46Å; F98-K101 PolarHBondContact O-N 3.38Å; F98-L106 HydrophobicContact CB-CD2 3.75Å; F98-L106 WeakPolarHBondContact O-CD2 3.47Å; F98-L109 HydrophobicContact CB-CD1 4.32Å; F98-L109 HydrophobicContact CD1-CD1 4.42Å; F98-L109 HydrophobicContact CD2-CD1 4.1Å; F98-L109 HydrophobicContact CG-CD1 4.02Å
99	E	85.2	Confident	91.4	Very high	99 Å²	99	72.7 Å²	72.7	46%	0.463	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.6	-170.9	-172.1	170.5	-172.4	0	0	114.2	L95 L96 K101	L95-E99 PolarHBondContact O-N 2.93Å; L96-E99 PolarHBondContact O-N 2.97Å; E99-K101 PolarHBondContact O-N 3.07Å
100	E	86.4	Confident	91.5	Very high	181 Å²	181	66 Å²	66	85%	0.846	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.6	178.2	-62.1	-59	148.9	0	0	114	F98	F98-E100 PolarHBondContact O-N 3.25Å; F98-E100 VanDerWaalsContact O-N 3.12Å
101	K	90.8	Very high	91.7	Very high	66 Å²	66	62.3 Å²	62.3	29%	0.287	33%	0.326	S	S	.	.	S	Bend	trans	-71.2	155.5	180	-74.3	180	165.6	-76.4	0	111.5	R80 F98 E99 L103 E105 L106	R80-K101 PolarHBondContact NH2-O 3.15Å; F98-K101 HydrophobicContact CB-CD 3.94Å; F98-K101 HydrophobicContact CD1-CD 3.75Å; F98-K101 HydrophobicContact CG-CD 4.22Å; F98-K101 WeakPolarHBondContact O-CB 3.46Å; F98-K101 PolarHBondContact O-N 3.38Å; E99-K101 PolarHBondContact O-N 3.07Å; K101-L103 PolarHBondContact O-N 3.02Å; K101-E105 HydrophobicContact CD-CG 4.42Å; K101-E105 VanDerWaalsContact NZ-CD 3.32Å; K101-E105 IonicContact NZ-OE1 3.63Å; K101-E105 PolarHBondContact NZ-OE1 3.13Å; K101-E105 IonicContact NZ-OE2 2.98Å; K101-E105 PolarHBondContact NZ-OE2 3.37Å; K101-L106 HydrophobicContact CB-CG 4.33Å
102	P	91.7	Very high	91.8	Very high	76 Å²	76	70.1 Å²	70.1	49%	0.494	36%	0.355	S	S	.	.			trans	-58.3	139.7	172.9	24.1	-33.7	0	0	0	110.5	A104 E105 L106	P102-A104 PolarHBondContact O-N 3.44Å; P102-A104 VanDerWaalsContact O-N 3.09Å; P102-E105 HydrophobicContact CG-CB 3.96Å; P102-E105 WeakPolarHBondContact O-CA 3.19Å; P102-E105 WeakPolarHBondContact O-CB 3.47Å; P102-E105 PolarHBondContact O-N 2.72Å; P102-L106 PolarHBondContact O-N 3.18Å
103	L	91.3	Very high	91.8	Very high	9 Å²	9	69.8 Å²	69.8	5%	0.047	36%	0.355	C	S	.	.	H	α-helix	trans	-57.9	-32	-172.5	-168.2	56.6	0	0	0	113.4	L60 I79 R80 F83 K101 E105 L106 A107	L60-L103 HydrophobicContact CD1-CD2 3.38Å; L60-L103 HydrophobicContact CD1-CG 3.59Å; L60-L103 HydrophobicContact CD2-CB 4.39Å; L60-L103 HydrophobicContact CD2-CD2 4.49Å; L60-L103 HydrophobicContact CD2-CG 3.86Å; L60-L103 WeakPolarHBondContact CD2-O 3.33Å; L60-L103 HydrophobicContact CG-CG 4.39Å; I79-L103 HydrophobicContact CB-CD2 4.36Å; I79-L103 HydrophobicContact CG2-CD2 3.71Å; R80-L103 HydrophobicContact CB-CD1 4.29Å; R80-L103 HydrophobicContact CB-CD2 4.08Å; R80-L103 HydrophobicContact CG-CD1 4.2Å; F83-L103 HydrophobicContact CB-CD1 4.23Å; F83-L103 HydrophobicContact CD1-CD1 3.5Å; F83-L103 HydrophobicContact CD1-CG 4.47Å; F83-L103 HydrophobicContact CE1-CD1 4.16Å; F83-L103 HydrophobicContact CG-CD1 4.03Å; K101-L103 PolarHBondContact O-N 3.02Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 3.06Å; L103-L106 HydrophobicContact CD1-CD1 4.27Å; L103-L106 PolarHBondContact O-N 3.32Å; L103-A107 PolarHBondContact O-N 2.86Å
104	A	92.1	Very high	91.7	Very high	54 Å²	54	67.4 Å²	67.4	45%	0.446	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-32.7	174.3	0	0	0	0	0	113.3	P102 R108	P102-A104 PolarHBondContact O-N 3.44Å; P102-A104 VanDerWaalsContact O-N 3.09Å; A104-R108 WeakPolarHBondContact O-CG 3.46Å; A104-R108 PolarHBondContact O-N 3.28Å
105	E	93.6	Very high	91.5	Very high	73 Å²	73	67.9 Å²	67.9	34%	0.341	34%	0.343	S	S	.	.	H	α-helix	trans	-75.7	-44	175.8	-168.9	-178.1	174.5	0	0	110.7	K101 P102 L103 A107 R108 L109	K101-E105 HydrophobicContact CD-CG 4.42Å; K101-E105 VanDerWaalsContact NZ-CD 3.32Å; K101-E105 IonicContact NZ-OE1 3.63Å; K101-E105 PolarHBondContact NZ-OE1 3.13Å; K101-E105 IonicContact NZ-OE2 2.98Å; K101-E105 PolarHBondContact NZ-OE2 3.37Å; P102-E105 HydrophobicContact CG-CB 3.96Å; P102-E105 WeakPolarHBondContact O-CA 3.19Å; P102-E105 WeakPolarHBondContact O-CB 3.47Å; P102-E105 PolarHBondContact O-N 2.72Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-E105 PolarHBondContact O-N 3.06Å; E105-A107 VanDerWaalsContact C-N 3.26Å; E105-A107 PolarHBondContact O-N 3.08Å; E105-R108 WeakPolarHBondContact O-CB 3.28Å; E105-R108 PolarHBondContact O-N 3.38Å; E105-R108 VanDerWaalsContact O-N 3.1Å; E105-L109 PolarHBondContact O-N 2.81Å
106	L	93.5	Very high	91.3	Very high	1 Å²	1	73 Å²	73	1%	0.005	37%	0.37	C	S	.	.	H	α-helix	trans	-54.4	-42.9	173.2	-77.3	173.4	0	0	0	111.9	L95 F98 K101 P102 L103 R108 L109 A110	L95-L106 HydrophobicContact CB-CD2 4.24Å; L95-L106 HydrophobicContact CD2-CD2 4.02Å; F98-L106 HydrophobicContact CB-CD2 3.75Å; F98-L106 WeakPolarHBondContact O-CD2 3.47Å; K101-L106 HydrophobicContact CB-CG 4.33Å; P102-L106 PolarHBondContact O-N 3.18Å; L103-L106 HydrophobicContact CD1-CD1 4.27Å; L103-L106 PolarHBondContact O-N 3.32Å; L106-R108 PolarHBondContact O-N 3.5Å; L106-L109 PolarHBondContact O-N 3.47Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 2.94Å
107	A	93.8	Very high	90.9	Very high	1 Å²	1	72.4 Å²	72.4	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-36.7	178.4	0	0	0	0	0	113.2	L60 F83 L103 E105 L109 A110 D111	L60-A107 HydrophobicContact CB-CB 4.21Å; L60-A107 HydrophobicContact CD2-CB 3.71Å; F83-A107 HydrophobicContact CE1-CB 4.3Å; F83-A107 HydrophobicContact CE2-CB 4.07Å; F83-A107 HydrophobicContact CZ-CB 3.61Å; L103-A107 PolarHBondContact O-N 2.86Å; E105-A107 VanDerWaalsContact C-N 3.26Å; E105-A107 PolarHBondContact O-N 3.08Å; A107-L109 VanDerWaalsContact C-N 3.35Å; A107-A110 WeakPolarHBondContact O-CB 3.49Å; A107-A110 PolarHBondContact O-N 3.45Å; A107-D111 PolarHBondContact O-N 3.4Å
108	R	94.3	Very high	90.4	Very high	166 Å²	166	73.6 Å²	73.6	63%	0.626	36%	0.356	S	S	*	.	H	α-helix	trans	-66.6	-36.3	173.2	-69.6	172.8	-176.5	-175.8	1.6	112.2	A104 E105 L106 R112	A104-R108 WeakPolarHBondContact O-CG 3.46Å; A104-R108 PolarHBondContact O-N 3.28Å; E105-R108 WeakPolarHBondContact O-CB 3.28Å; E105-R108 PolarHBondContact O-N 3.38Å; E105-R108 VanDerWaalsContact O-N 3.1Å; L106-R108 PolarHBondContact O-N 3.5Å; R108-R112 WeakPolarHBondContact O-CG 3.48Å; R108-R112 PolarHBondContact O-N 2.99Å
109	L	93.9	Very high	89.8	Confident	42 Å²	42	73.4 Å²	73.4	22%	0.22	37%	0.365	C	S	.	.	H	α-helix	trans	-66.5	-43.8	173.8	-69.4	175.3	0	0	0	110.7	L95 F98 E105 L106 A107 D111 R112 L113	L95-L109 HydrophobicContact CD2-CB 3.61Å; L95-L109 HydrophobicContact CD2-CD1 4.3Å; F98-L109 HydrophobicContact CB-CD1 4.32Å; F98-L109 HydrophobicContact CD1-CD1 4.42Å; F98-L109 HydrophobicContact CD2-CD1 4.1Å; F98-L109 HydrophobicContact CG-CD1 4.02Å; E105-L109 PolarHBondContact O-N 2.81Å; L106-L109 PolarHBondContact O-N 3.47Å; A107-L109 VanDerWaalsContact C-N 3.35Å; L109-D111 PolarHBondContact O-N 3.08Å; L109-R112 PolarHBondContact O-N 3.01Å; L109-L113 WeakPolarHBondContact O-CG 3.47Å; L109-L113 PolarHBondContact O-N 3.45Å
110	A	93.4	Very high	89.4	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-44	175.4	0	0	0	0	0	112.2	P56 F83 L87 V91 L95 L106 A107 R112 L113 L114	P56-A110 HydrophobicContact CB-CB 3.57Å; P56-A110 HydrophobicContact CG-CB 3.65Å; F83-A110 HydrophobicContact CZ-CB 4.43Å; L87-A110 HydrophobicContact CD1-CB 4.2Å; L87-A110 HydrophobicContact CD2-CB 4.47Å; V91-A110 HydrophobicContact CG1-CB 3.89Å; L95-A110 HydrophobicContact CD1-CB 4.03Å; L106-A110 WeakPolarHBondContact O-CB 3.43Å; L106-A110 PolarHBondContact O-N 2.94Å; A107-A110 WeakPolarHBondContact O-CB 3.49Å; A107-A110 PolarHBondContact O-N 3.45Å; A110-R112 VanDerWaalsContact C-N 3.32Å; A110-R112 PolarHBondContact O-N 3.33Å; A110-L113 PolarHBondContact O-N 3.14Å; A110-L114 PolarHBondContact O-N 3.44Å
111	D	93.8	Very high	88.6	Confident	36 Å²	36	73.6 Å²	73.6	19%	0.193	37%	0.37	C	S	.	.	H	α-helix	trans	-55.4	-47.3	174.4	-68.2	-15.9	0	0	0	111.3	P55 P56 S57 A107 L109 L114 A115	P55-D111 WeakPolarHBondContact CB-OD1 3.09Å; P56-D111 WeakPolarHBondContact CA-OD1 3.3Å; P56-D111 WeakPolarHBondContact CB-OD1 3.28Å; P56-D111 WeakPolarHBondContact CD-OD1 3.38Å; S57-D111 WeakPolarHBondContact CB-OD2 3.12Å; S57-D111 PolarHBondContact N-OD1 2.74Å; S57-D111 PolarHBondContact OG-OD1 3.37Å; S57-D111 PolarHBondContact OG-OD2 3.11Å; A107-D111 PolarHBondContact O-N 3.4Å; L109-D111 PolarHBondContact O-N 3.08Å; D111-L114 PolarHBondContact O-N 3.31Å; D111-A115 WeakPolarHBondContact O-CB 3.48Å; D111-A115 PolarHBondContact O-N 2.86Å
112	R	92.5	Very high	87.6	Confident	171 Å²	171	75.1 Å²	75.1	65%	0.645	39%	0.388	S	S	*	.	H	α-helix	trans	-65.2	-41.5	179.7	-69.6	174.4	-176.1	-173.1	0.5	111.9	R108 L109 A110 A115 L116	R108-R112 WeakPolarHBondContact O-CG 3.48Å; R108-R112 PolarHBondContact O-N 2.99Å; L109-R112 PolarHBondContact O-N 3.01Å; A110-R112 VanDerWaalsContact C-N 3.32Å; A110-R112 PolarHBondContact O-N 3.33Å; R112-A115 PolarHBondContact O-N 3.36Å; R112-L116 WeakPolarHBondContact O-CB 3.5Å; R112-L116 VanDerWaalsContact O-CG 3.26Å; R112-L116 WeakPolarHBondContact O-CG 3.38Å; R112-L116 PolarHBondContact O-N 3.02Å
113	L	91.5	Very high	86.2	Confident	59 Å²	59	75 Å²	75	31%	0.309	39%	0.393	S	S	.	.	H	α-helix	trans	-63.1	-42.1	178.4	-73.1	169.5	0	0	0	111.8	V91 A94 L95 L109 A110 R117	V91-L113 HydrophobicContact CG1-CB 4.45Å; V91-L113 HydrophobicContact CG1-CD1 4.05Å; A94-L113 HydrophobicContact CB-CD1 3.65Å; A94-L113 HydrophobicContact CB-CD2 4.19Å; L95-L113 HydrophobicContact CD2-CD1 4.05Å; L95-L113 HydrophobicContact CG-CD1 4.22Å; L109-L113 WeakPolarHBondContact O-CG 3.47Å; L109-L113 PolarHBondContact O-N 3.45Å; A110-L113 PolarHBondContact O-N 3.14Å; L113-R117 PolarHBondContact O-N 2.95Å
114	L	90.1	Very high	84.3	Confident	28 Å²	28	79.4 Å²	79.4	15%	0.147	43%	0.425	C	S	.	.	H	α-helix	trans	-68.3	-44.2	176.2	-71.5	177.9	0	0	0	112	L51 P56 P88 V91 A110 D111 L116 R117 E118	L51-L114 HydrophobicContact CD2-CD1 4.26Å; P56-L114 HydrophobicContact CG-CD1 3.46Å; P56-L114 VanDerWaalsContact CG-CD1 3.46Å; P88-L114 HydrophobicContact CG-CD2 4.23Å; V91-L114 HydrophobicContact CG2-CD2 3.61Å; V91-L114 HydrophobicContact CG2-CG 4.04Å; A110-L114 PolarHBondContact O-N 3.44Å; D111-L114 PolarHBondContact O-N 3.31Å; L114-L116 VanDerWaalsContact C-N 3.31Å; L114-L116 PolarHBondContact O-N 3.35Å; L114-R117 WeakPolarHBondContact O-CB 3.49Å; L114-R117 PolarHBondContact O-N 3.22Å; L114-R117 VanDerWaalsContact O-N 3.09Å; L114-E118 PolarHBondContact O-N 3.28Å
115	A	88.4	Confident	82.8	Confident	53 Å²	53	81.3 Å²	81.3	44%	0.438	43%	0.433	S	S	.	.	H	α-helix	trans	-60.7	-38.4	177.1	0	0	0	0	0	112.7	D111 R112 R117 E118 S119	D111-A115 WeakPolarHBondContact O-CB 3.48Å; D111-A115 PolarHBondContact O-N 2.86Å; R112-A115 PolarHBondContact O-N 3.36Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-R117 PolarHBondContact O-N 2.97Å; A115-E118 PolarHBondContact O-N 3.37Å; A115-S119 WeakPolarHBondContact O-CB 3.26Å; A115-S119 PolarHBondContact O-N 3.16Å
116	L	87.3	Confident	81.3	Confident	112 Å²	112	84.5 Å²	84.5	59%	0.586	46%	0.457	S	S	*	.	H	α-helix	trans	-62.7	-40.8	174.3	-75.3	169.6	0	0	0	111.7	R112 L114 S119 Q120	R112-L116 WeakPolarHBondContact O-CB 3.5Å; R112-L116 VanDerWaalsContact O-CG 3.26Å; R112-L116 WeakPolarHBondContact O-CG 3.38Å; R112-L116 PolarHBondContact O-N 3.02Å; L114-L116 VanDerWaalsContact C-N 3.31Å; L114-L116 PolarHBondContact O-N 3.35Å; L116-S119 PolarHBondContact O-N 3.23Å; L116-Q120 WeakPolarHBondContact O-CG 3.4Å; L116-Q120 PolarHBondContact O-N 2.99Å
117	R	83.3	Confident	79.6	Confident	103 Å²	103	93.9 Å²	93.9	39%	0.389	49%	0.494	S	S	.	.	H	α-helix	trans	-67	-42.4	178.5	-173.7	-179.6	179.2	-168.4	0.1	112	L113 L114 A115 S119 Q120 L121	L113-R117 PolarHBondContact O-N 2.95Å; L114-R117 WeakPolarHBondContact O-CB 3.49Å; L114-R117 PolarHBondContact O-N 3.22Å; L114-R117 VanDerWaalsContact O-N 3.09Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-R117 PolarHBondContact O-N 2.97Å; R117-S119 VanDerWaalsContact C-N 3.31Å; R117-S119 PolarHBondContact O-N 2.85Å; R117-Q120 PolarHBondContact O-N 2.98Å; R117-L121 HydrophobicContact CG-CD1 4.3Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 3.42Å; R117-L121 VanDerWaalsContact O-N 3.09Å
118	E	80.9	Confident	78	Confident	131 Å²	131	97.9 Å²	97.9	61%	0.612	53%	0.527	S	S	*	.	H	α-helix	trans	-60.9	-41.9	175.3	-71.3	174.9	-174.9	0	0	111.4	L114 A115 Q120 L121 S122	L114-E118 PolarHBondContact O-N 3.28Å; A115-E118 PolarHBondContact O-N 3.37Å; E118-Q120 PolarHBondContact O-N 2.95Å; E118-L121 PolarHBondContact O-N 2.98Å; E118-S122 PolarHBondContact O-N 3.33Å; E118-S122 VanDerWaalsContact O-N 3.16Å
119	S	78.6	Confident	76.7	Confident	80 Å²	80	95.3 Å²	95.3	56%	0.559	53%	0.53	S	S	*	.	H	α-helix	trans	-62.1	-42.6	175.2	-175.8	0	0	0	0	112.5	A115 L116 R117 L121 S122 A123	A115-S119 WeakPolarHBondContact O-CB 3.26Å; A115-S119 PolarHBondContact O-N 3.16Å; L116-S119 PolarHBondContact O-N 3.23Å; R117-S119 VanDerWaalsContact C-N 3.31Å; R117-S119 PolarHBondContact O-N 2.85Å; S119-L121 VanDerWaalsContact C-N 3.33Å; S119-L121 PolarHBondContact O-N 3.43Å; S119-S122 PolarHBondContact O-N 3.09Å; S119-A123 PolarHBondContact O-N 3.16Å
120	Q	76.5	Confident	75.4	Confident	151 Å²	151	100 Å²	100	71%	0.706	56%	0.56	S	S	*	*	H	α-helix	trans	-64.3	-34.8	177.2	-74.9	-176.2	-33.7	0	0	113.2	L116 R117 E118 S122 A123	L116-Q120 WeakPolarHBondContact O-CG 3.4Å; L116-Q120 PolarHBondContact O-N 2.99Å; R117-Q120 PolarHBondContact O-N 2.98Å; E118-Q120 PolarHBondContact O-N 2.95Å; Q120-S122 VanDerWaalsContact C-N 3.33Å; Q120-A123 PolarHBondContact O-N 3.01Å
121	L	68.5	Low	73.7	Confident	134 Å²	134	108.3 Å²	108.3	70%	0.702	60%	0.599	S	S	*	*	H	α-helix	trans	-73.8	-26	177.3	-66.5	166.7	0	0	0	112.2	R117 E118 S119	R117-L121 HydrophobicContact CG-CD1 4.3Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 3.42Å; R117-L121 VanDerWaalsContact O-N 3.09Å; E118-L121 PolarHBondContact O-N 2.98Å; S119-L121 VanDerWaalsContact C-N 3.33Å; S119-L121 PolarHBondContact O-N 3.43Å
122	S	69.9	Low	71.4	Confident	98 Å²	98	109.8 Å²	109.8	69%	0.685	62%	0.623	S	S	*	*	H	α-helix	trans	-78.8	-18.5	175.6	-173.8	0	0	0	0	113.5	E118 S119 Q120 S124	E118-S122 PolarHBondContact O-N 3.33Å; E118-S122 VanDerWaalsContact O-N 3.16Å; S119-S122 PolarHBondContact O-N 3.09Å; Q120-S122 VanDerWaalsContact C-N 3.33Å; S122-S124 PolarHBondContact O-N 3.49Å; S122-S124 VanDerWaalsContact O-N 3.11Å
123	A	62.2	Low	69.9	Low	72 Å²	72	108.7 Å²	108.7	60%	0.595	64%	0.635	S	S	*	*			trans	-80.8	89.8	180	0	0	0	0	0	110.6	S119 Q120	S119-A123 PolarHBondContact O-N 3.16Å; Q120-A123 PolarHBondContact O-N 3.01Å
124	S	51.8	Low	67.7	Low	102 Å²	102	115.5 Å²	115.5	71%	0.713	67%	0.665	S	S	*	*			trans	-64.4	131.7	171.4	-66.7	0	0	0	0	110.8	S122 V126	S122-S124 PolarHBondContact O-N 3.49Å; S122-S124 VanDerWaalsContact O-N 3.11Å; S124-V126 PolarHBondContact O-N 3.03Å
125	P	61.9	Low	66	Low	94 Å²	94	122 Å²	122	61%	0.61	72%	0.722	S	S	*	*			trans	-68.1	115.2	175.3	27.2	-32.3	0	0	0	109.9	Y127	P125-Y127 HydrophobicContact CB-CD2 4.31Å; P125-Y127 HydrophobicContact CB-CE2 3.97Å; P125-Y127 HydrophobicContact CG-CD2 4.31Å; P125-Y127 HydrophobicContact CG-CE2 3.74Å; P125-Y127 PolarHBondContact O-N 3.25Å; P125-Y127 VanDerWaalsContact O-N 3.07Å
126	V	61.9	Low	64.9	Low	141 Å²	141	125.4 Å²	125.4	86%	0.855	74%	0.737	S	S	*	*			trans	-73.2	94.3	167.7	-179.9	0	0	0	0	107.2	S124 A128	S124-V126 PolarHBondContact O-N 3.03Å; V126-A128 PolarHBondContact O-N 3.29Å; V126-A128 VanDerWaalsContact O-N 3.14Å
127	Y	57.7	Low	63.7	Low	198 Å²	198	126.1 Å²	126.1	78%	0.776	74%	0.744	S	S	*	*			trans	-69.6	105	168.3	-74.6	-84.8	0	0	0	108.6	P125 T129	P125-Y127 HydrophobicContact CB-CD2 4.31Å; P125-Y127 HydrophobicContact CB-CE2 3.97Å; P125-Y127 HydrophobicContact CG-CD2 4.31Å; P125-Y127 HydrophobicContact CG-CE2 3.74Å; P125-Y127 PolarHBondContact O-N 3.25Å; P125-Y127 VanDerWaalsContact O-N 3.07Å; Y127-T129 PolarHBondContact O-N 3.11Å; Y127-T129 VanDerWaalsContact O-N 3.14Å
128	A	60.2	Low	62.7	Low	85 Å²	85	127.4 Å²	127.4	70%	0.702	76%	0.764	S	S	*	*			trans	-70	102.8	167.1	0	0	0	0	0	108.7	V126 T130	V126-A128 PolarHBondContact O-N 3.29Å; V126-A128 VanDerWaalsContact O-N 3.14Å; A128-T130 PolarHBondContact O-N 3.23Å; A128-T130 VanDerWaalsContact O-N 3.12Å
129	T	66.7	Low	61.6	Low	112 Å²	112	127.2 Å²	127.2	69%	0.687	77%	0.773	S	S	*	*			trans	-68.2	100.7	164.6	-77.5	0	0	0	0	108.2	Y127 Q131	Y127-T129 PolarHBondContact O-N 3.11Å; Y127-T129 VanDerWaalsContact O-N 3.14Å; T129-Q131 HydrophobicContact CG2-CB 3.79Å; T129-Q131 PolarHBondContact O-N 3.32Å
130	T	66.2	Low	60.5	Low	139 Å²	139	130.1 Å²	130.1	85%	0.853	79%	0.786	S	S	*	*			trans	-84.8	92.1	158.8	47.8	0	0	0	0	107.7	A128	A128-T130 PolarHBondContact O-N 3.23Å; A128-T130 VanDerWaalsContact O-N 3.12Å
131	Q	57.8	Low	59.5	Low	176 Å²	176	128.7 Å²	128.7	82%	0.822	79%	0.792	S	S	*	*			trans	-93	111.6	173.2	-149.7	174.5	-15.5	0	0	108.9	T129	T129-Q131 HydrophobicContact CG2-CB 3.79Å; T129-Q131 PolarHBondContact O-N 3.32Å
132	G	46.5	Very low	58.8	Low	66 Å²	66	128.4 Å²	128.4	68%	0.68	80%	0.798	S	S	*	*			trans	54	113.7	145.5	0	0	0	0	0	120.2
133	V	59.4	Low	58	Low	148 Å²	148	130.7 Å²	130.7	90%	0.897	81%	0.807	S	S	*	*				-141.1	101.4	128.8	-174.9	0	0	0	0	107.5
134	E	45.3	Very low	57.6	Low	202 Å²	202	135.6 Å²	135.6	94%	0.944	83%	0.825	S	S	*	*			trans	-90.6	118.4	163.5	-173.7	179.6	150.2	0	0	106.6
135	A	56	Low	58.1	Low	164 Å²	164	138.6 Å²	138.6	100%	1.355	84%	0.835	S	S	*	*			trans	-159.1	0	161.9	0	0	0	0	0	108.6

Retrieved 135 of 135 residues in 313 ms (Link to these results)

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