A0A077ZMZ3_TRITR Loading...

DUF7083 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZMZ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 87 aa.

						>A0A077ZMZ3_TRITR|A0A077ZMZ3
MELLVSQQDTASTHITEFSYYVENGLTFESWFERYEDIFKVDVASLPDDARVRLLSQKLPAASHDNYAKYVLPKQPRDFTFKETVDP
					

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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	39.7	Very low	72.1	Confident	234 Å²	234	107.2 Å²	107.2	100%	1.153	56%	0.558	S	S	*	*				0	67.8	0	-78.5	-171.7	-90.3	0	0	108	L3	M1-L3 PolarHBondContact O-N 3.02Å
2	E	50.8	Low	73.9	Confident	194 Å²	194	100.6 Å²	100.6	91%	0.907	53%	0.527	S	S	*	.			trans	-69.6	110.1	151.7	-75.8	168.3	124.7	0	0	103.9	L4	E2-L4 PolarHBondContact O-N 3.47Å
3	L	55.8	Low	75.4	Confident	153 Å²	153	101.5 Å²	101.5	80%	0.801	54%	0.54	S	S	*	.			trans	-55.8	118.1	170.1	-126.9	93.9	0	0	0	105	M1 V5	M1-L3 PolarHBondContact O-N 3.02Å; L3-V5 PolarHBondContact O-N 3.33Å
4	L	58.3	Low	76.8	Confident	168 Å²	168	102.4 Å²	102.4	88%	0.88	54%	0.539	S	S	*	.			trans	-67.6	86.2	175.6	-158.1	142.1	0	0	0	106	E2 S6	E2-L4 PolarHBondContact O-N 3.47Å; L4-S6 PolarHBondContact O-N 3.07Å
5	V	65.8	Low	78	Confident	86 Å²	86	95.9 Å²	95.9	52%	0.521	51%	0.505	S	S	.	.			trans	-59.9	122.1	176	177.1	0	0	0	0	105.8	L3 D9 T10	L3-V5 PolarHBondContact O-N 3.33Å; V5-D9 HydrophobicContact CG1-CB 3.65Å; V5-T10 VanDerWaalsContact CG1-OG1 3.3Å; V5-T10 WeakPolarHBondContact CG1-OG1 3.39Å
6	S	83	Confident	79.1	Confident	45 Å²	45	94.4 Å²	94.4	32%	0.315	50%	0.501	S	S	.	.			trans	-67.4	150.3	-177.7	75.4	0	0	0	0	109.5	L4 Q8 D9 T10	L4-S6 PolarHBondContact O-N 3.07Å; S6-Q8 PolarHBondContact O-N 3.22Å; S6-Q8 VanDerWaalsContact O-N 3.07Å; S6-D9 PolarHBondContact O-N 2.81Å; S6-D9 PolarHBondContact OG-N 2.98Å; S6-D9 PolarHBondContact OG-OD2 3.17Å; S6-T10 PolarHBondContact O-N 2.75Å
7	Q	82.6	Confident	80	Confident	101 Å²	101	95.9 Å²	95.9	47%	0.472	51%	0.505	S	S	.	.	H	α-helix	trans	-51.7	-34.9	175.8	-73.6	-179.9	-96.8	0	0	111.9	A11 D42 S45	Q7-A11 VanDerWaalsContact O-CB 3.3Å; Q7-A11 WeakPolarHBondContact O-CB 3.49Å; Q7-A11 PolarHBondContact O-N 3.22Å; Q7-D42 PolarHBondContact NE2-O 3.13Å; Q7-S45 PolarHBondContact NE2-OG 3.27Å; Q7-S45 VanDerWaalsContact NE2-OG 3.13Å; Q7-S45 PolarHBondContact OE1-OG 3.04Å
8	Q	86.3	Confident	80.7	Confident	44 Å²	44	91.4 Å²	91.4	21%	0.206	48%	0.48	C	S	.	.	H	α-helix	trans	-64.9	-43.3	176.2	-172.7	-179.9	-22.2	0	0	112.4	S6 A11 S12 L46 L54	S6-Q8 PolarHBondContact O-N 3.22Å; S6-Q8 VanDerWaalsContact O-N 3.07Å; Q8-A11 PolarHBondContact O-N 3.26Å; Q8-S12 WeakPolarHBondContact O-CB 3.44Å; Q8-S12 PolarHBondContact O-N 2.79Å; Q8-L46 HydrophobicContact CB-CD1 3.85Å; Q8-L46 HydrophobicContact CG-CD1 4.32Å; Q8-L54 HydrophobicContact CG-CB 4.41Å; Q8-L54 HydrophobicContact CG-CD1 4.25Å
9	D	88.3	Confident	81.2	Confident	91 Å²	91	89.6 Å²	89.6	49%	0.487	48%	0.476	S	S	.	.	H	α-helix	trans	-65.6	-43.8	178.5	-66	-46.1	0	0	0	110.7	V5 S6 S12 T13	V5-D9 HydrophobicContact CG1-CB 3.65Å; S6-D9 PolarHBondContact O-N 2.81Å; S6-D9 PolarHBondContact OG-N 2.98Å; S6-D9 PolarHBondContact OG-OD2 3.17Å; D9-S12 PolarHBondContact O-N 3.14Å; D9-T13 PolarHBondContact O-N 3.46Å
10	T	90.2	Very high	81.5	Confident	60 Å²	60	92.6 Å²	92.6	37%	0.368	48%	0.481	S	S	.	.	H	α-helix	trans	-60.6	-50.3	174.9	-57.8	0	0	0	0	111	V5 S6 S12 T13 H14	V5-T10 VanDerWaalsContact CG1-OG1 3.3Å; V5-T10 WeakPolarHBondContact CG1-OG1 3.39Å; S6-T10 PolarHBondContact O-N 2.75Å; T10-S12 VanDerWaalsContact C-N 3.28Å; T10-S12 PolarHBondContact O-N 2.85Å; T10-T13 PolarHBondContact O-N 3.34Å; T10-T13 PolarHBondContact O-OG1 3.47Å; T10-H14 PolarHBondContact O-CD2 3.22Å
11	A	92.7	Very high	81.9	Confident	3 Å²	3	95.1 Å²	95.1	3%	0.025	49%	0.486	C	S	.	.	H	α-helix	trans	-59.9	-39.6	179.1	0	0	0	0	0	112.3	Q7 Q8 T13 H14 I15 I38 V43 L54	Q7-A11 VanDerWaalsContact O-CB 3.3Å; Q7-A11 WeakPolarHBondContact O-CB 3.49Å; Q7-A11 PolarHBondContact O-N 3.22Å; Q8-A11 PolarHBondContact O-N 3.26Å; A11-T13 VanDerWaalsContact C-N 3.28Å; A11-T13 PolarHBondContact O-N 3.45Å; A11-H14 PolarHBondContact O-N 2.74Å; A11-H14 VanDerWaalsContact O-N 3.09Å; A11-I15 WeakPolarHBondContact O-CG1 3.23Å; A11-I15 PolarHBondContact O-N 3.22Å; A11-I38 HydrophobicContact CB-CG2 3.62Å; A11-V43 HydrophobicContact CB-CG1 3.39Å; A11-L54 HydrophobicContact CB-CD2 3.9Å
12	S	93.3	Very high	84.1	Confident	28 Å²	28	88 Å²	88	20%	0.196	46%	0.455	C	S	.	.	H	α-helix	trans	-60.6	-34.5	179	-172.8	0	0	0	0	112.7	Q8 D9 T10 H14 K58	Q8-S12 WeakPolarHBondContact O-CB 3.44Å; Q8-S12 PolarHBondContact O-N 2.79Å; D9-S12 PolarHBondContact O-N 3.14Å; T10-S12 VanDerWaalsContact C-N 3.28Å; T10-S12 PolarHBondContact O-N 2.85Å; S12-H14 VanDerWaalsContact C-N 3.25Å; S12-H14 PolarHBondContact O-N 3.28Å; S12-K58 WeakPolarHBondContact O-CE 3.38Å; S12-K58 PolarHBondContact O-NZ 2.94Å; S12-K58 VanDerWaalsContact OG-CE 3.25Å; S12-K58 WeakPolarHBondContact OG-CE 3.49Å; S12-K58 PolarHBondContact OG-NZ 3.33Å
13	T	93.8	Very high	86.1	Confident	113 Å²	113	87.2 Å²	87.2	69%	0.693	45%	0.452	S	S	*	.	H	α-helix	trans	-72.5	-20.2	178.6	64.8	0	0	0	0	113.2	D9 T10 A11	D9-T13 PolarHBondContact O-N 3.46Å; T10-T13 PolarHBondContact O-N 3.34Å; T10-T13 PolarHBondContact O-OG1 3.47Å; A11-T13 VanDerWaalsContact C-N 3.28Å; A11-T13 PolarHBondContact O-N 3.45Å
14	H	94	Very high	87.8	Confident	113 Å²	113	85.8 Å²	85.8	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-90.6	-15.4	-179.8	-65.6	-60.9	0	0	0	114	T10 A11 S12 Y35 I38	T10-H14 PolarHBondContact O-CD2 3.22Å; A11-H14 PolarHBondContact O-N 2.74Å; A11-H14 VanDerWaalsContact O-N 3.09Å; S12-H14 VanDerWaalsContact C-N 3.25Å; S12-H14 PolarHBondContact O-N 3.28Å; H14-Y35 VanDerWaalsContact O-CE1 3.3Å; H14-Y35 WeakPolarHBondContact O-CE1 3.29Å; H14-I38 HydrophobicContact CB-CD1 3.74Å
15	I	95.7	Very high	89.3	Confident	6 Å²	6	79.8 Å²	79.8	3%	0.031	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-101	124.3	-179	-55.8	159.4	0	0	0	110.4	A11 W31 Y35 I38 F39 L54 K58	A11-I15 WeakPolarHBondContact O-CG1 3.23Å; A11-I15 PolarHBondContact O-N 3.22Å; I15-W31 HydrophobicContact CG2-CH2 4.19Å; I15-W31 HydrophobicContact CG2-CZ2 3.48Å; I15-W31 VanDerWaalsContact CG2-CZ2 3.48Å; I15-Y35 HydrophobicContact CB-CD1 4.4Å; I15-Y35 HydrophobicContact CG1-CD1 4.16Å; I15-Y35 HydrophobicContact CG1-CG 4.3Å; I15-Y35 HydrophobicContact CG2-CD1 4.32Å; I15-Y35 HydrophobicContact CG2-CD2 3.95Å; I15-Y35 HydrophobicContact CG2-CE2 4.3Å; I15-Y35 HydrophobicContact CG2-CG 3.98Å; I15-I38 HydrophobicContact CD1-CG2 3.87Å; I15-I38 HydrophobicContact CG1-CB 4.49Å; I15-I38 HydrophobicContact CG1-CD1 3.76Å; I15-I38 HydrophobicContact CG1-CG2 4.12Å; I15-F39 HydrophobicContact CD1-CE1 4.24Å; I15-F39 HydrophobicContact CD1-CE2 3.9Å; I15-F39 HydrophobicContact CD1-CZ 3.67Å; I15-L54 HydrophobicContact CD1-CD2 4.19Å; I15-L54 HydrophobicContact CD1-CG 4.33Å; I15-K58 HydrophobicContact CB-CD 4.26Å; I15-K58 HydrophobicContact CB-CG 4.19Å; I15-K58 HydrophobicContact CG2-CB 4.18Å; I15-K58 HydrophobicContact CG2-CD 4.11Å; I15-K58 HydrophobicContact CG2-CG 3.7Å; I15-K58 PolarHBondContact O-NZ 3Å
16	T	95	Very high	90.4	Very high	72 Å²	72	79.6 Å²	79.6	44%	0.442	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-80.9	154	172.9	66.5	0	0	0	0	111.3	W31 Y35	T16-W31 PolarHBondContact O-NE1 2.95Å; T16-Y35 WeakPolarHBondContact CG2-OH 3.31Å; T16-Y35 PolarHBondContact OG1-OH 3.15Å
17	E	94.2	Very high	90.8	Very high	120 Å²	120	79.4 Å²	79.4	56%	0.561	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-57.8	141.5	172.1	-168.1	173.5	-111.4	0	0	111.1	K58	E17-K58 CarbonylContact C-O 3.57Å; E17-K58 WeakPolarHBondContact CA-O 3.26Å; E17-K58 WeakPolarHBondContact CG-O 3.28Å
18	F	92.2	Very high	91.2	Very high	14 Å²	14	77.4 Å²	77.4	6%	0.061	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-69.9	141.9	175.5	168.4	-117.2	0	0	0	110.8	Y20 F28 W31 K58 L59 P60	F18-Y20 HydrophobicContact CZ-CD2 4Å; F18-Y20 HydrophobicContact CZ-CG 4.36Å; F18-F28 HydrophobicContact CE2-CB 4.24Å; F18-F28 HydrophobicContact CZ-CB 4.18Å; F18-W31 HydrophobicContact CB-CD2 4.05Å; F18-W31 HydrophobicContact CB-CG 4.24Å; F18-W31 HydrophobicContact CB-CZ2 4.43Å; F18-W31 HydrophobicContact CD2-CB 3.77Å; F18-W31 HydrophobicContact CD2-CD2 4.21Å; F18-W31 AromaticContact CD2-CG 3.81Å; F18-W31 HydrophobicContact CD2-CG 3.81Å; F18-W31 HydrophobicContact CE2-CB 4.32Å; F18-W31 HydrophobicContact CG-CG 4.48Å; F18-K58 PolarHBondContact N-O 3.31Å; F18-L59 HydrophobicContact CB-CD2 3.96Å; F18-L59 HydrophobicContact CD1-CD2 3.76Å; F18-L59 HydrophobicContact CG-CD2 4.1Å; F18-P60 HydrophobicContact CD1-CG 4.47Å; F18-P60 WeakPolarHBondContact O-CD 3.48Å
19	S	90.4	Very high	91.4	Very high	58 Å²	58	82.8 Å²	82.8	41%	0.406	43%	0.431	S	S	.	.			trans	-134	141	172.2	-69.2	0	0	0	0	109.5
20	Y	88.5	Confident	91.7	Very high	149 Å²	149	80.5 Å²	80.5	58%	0.584	42%	0.422	S	S	*	.			trans	-110.9	108.7	-178.5	-175.2	-106.2	0	0	0	111.5	F18 L26	F18-Y20 HydrophobicContact CZ-CD2 4Å; F18-Y20 HydrophobicContact CZ-CG 4.36Å; Y20-L26 WeakPolarHBondContact CA-O 3.14Å
21	Y	89.3	Confident	91.9	Very high	146 Å²	146	78.6 Å²	78.6	57%	0.573	41%	0.408	S	S	*	.	B	Isolated β-bridge	trans	-143.7	89	174	-67.5	-85.6	0	0	0	109.1	E23 N24 G25 L26	Y21-E23 VanDerWaalsContact C-N 3.29Å; Y21-E23 PolarHBondContact O-N 2.94Å; Y21-N24 CarbonylContact O-C 3.57Å; Y21-N24 PolarHBondContact O-N 3.27Å; Y21-G25 PolarHBondContact O-N 3.01Å; Y21-L26 CarbonylContact C-O 3.58Å; Y21-L26 HydrophobicContact CD2-CD1 4.11Å; Y21-L26 PolarHBondContact N-O 3.19Å; Y21-L26 PolarHBondContact O-N 3.2Å
22	V	86	Confident	92	Very high	83 Å²	83	79.3 Å²	79.3	50%	0.503	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-59.3	-37.8	-174.4	69.6	0	0	0	0	113	N24 G25	V22-N24 PolarHBondContact O-N 3.49Å; V22-N24 VanDerWaalsContact O-N 3.12Å; V22-G25 PolarHBondContact O-N 3.46Å
23	E	92.6	Very high	92.1	Very high	179 Å²	179	85 Å²	85	84%	0.836	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-60	-23.8	176.7	-61.9	-64	144.3	0	0	112.8	Y21	Y21-E23 VanDerWaalsContact C-N 3.29Å; Y21-E23 PolarHBondContact O-N 2.94Å
24	N	91.3	Very high	92.1	Very high	123 Å²	123	88.3 Å²	88.3	66%	0.658	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-105.1	7.3	-179.9	-65.2	72.5	0	0	0	112.3	Y21 V22 L26	Y21-N24 CarbonylContact O-C 3.57Å; Y21-N24 PolarHBondContact O-N 3.27Å; V22-N24 PolarHBondContact O-N 3.49Å; V22-N24 VanDerWaalsContact O-N 3.12Å; N24-L26 HydrophobicContact CB-CG 4.27Å; N24-L26 PolarHBondContact O-N 3.11Å
25	G	89.1	Confident	92.2	Very high	42 Å²	42	83.6 Å²	83.6	43%	0.433	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	14.4	-176.1	0	0	0	0	0	114.4	Y21 V22 T27 S30	Y21-G25 PolarHBondContact O-N 3.01Å; V22-G25 PolarHBondContact O-N 3.46Å; G25-T27 PolarHBondContact O-N 3.32Å; G25-S30 PolarHBondContact O-OG 3.42Å
26	L	90.7	Very high	92.2	Very high	82 Å²	82	86.3 Å²	86.3	43%	0.429	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-86	89.3	176.5	-60.3	-177.1	0	0	0	108.9	Y20 Y21 N24	Y20-L26 WeakPolarHBondContact CA-O 3.14Å; Y21-L26 CarbonylContact C-O 3.58Å; Y21-L26 HydrophobicContact CD2-CD1 4.11Å; Y21-L26 PolarHBondContact N-O 3.19Å; Y21-L26 PolarHBondContact O-N 3.2Å; N24-L26 HydrophobicContact CB-CG 4.27Å; N24-L26 PolarHBondContact O-N 3.11Å
27	T	91.1	Very high	92.2	Very high	40 Å²	40	88.4 Å²	88.4	25%	0.245	43%	0.432	C	S	.	.			trans	-115.3	168.4	177.4	67	0	0	0	0	109.7	G25 E29 S30 W31	G25-T27 PolarHBondContact O-N 3.32Å; T27-E29 VanDerWaalsContact C-N 3.27Å; T27-E29 PolarHBondContact O-N 3.3Å; T27-S30 PolarHBondContact N-OG 3.02Å; T27-S30 VanDerWaalsContact N-OG 3.11Å; T27-S30 PolarHBondContact O-N 3.35Å; T27-S30 PolarHBondContact O-OG 2.84Å; T27-S30 PolarHBondContact OG1-N 3.28Å; T27-S30 PolarHBondContact OG1-OG 2.74Å; T27-W31 WeakPolarHBondContact O-CB 3.42Å; T27-W31 PolarHBondContact O-N 3.03Å; T27-W31 VanDerWaalsContact O-N 3.08Å
28	F	89.8	Confident	92.3	Very high	60 Å²	60	83.6 Å²	83.6	26%	0.263	41%	0.411	S	S	.	.	H	α-helix	trans	-61.9	-39.2	175.1	179.4	-95.9	0	0	0	111.4	F18 W31 F32 L55 L59	F18-F28 HydrophobicContact CE2-CB 4.24Å; F18-F28 HydrophobicContact CZ-CB 4.18Å; F28-W31 HydrophobicContact CD2-CE3 4.08Å; F28-W31 HydrophobicContact CD2-CZ3 4.37Å; F28-W31 AromaticContact CE2-CE3 3.92Å; F28-W31 HydrophobicContact CE2-CE3 3.92Å; F28-W31 AromaticContact CE2-CZ3 3.77Å; F28-W31 HydrophobicContact CE2-CZ3 3.77Å; F28-W31 HydrophobicContact CZ-CZ3 4.38Å; F28-W31 PolarHBondContact O-N 3.12Å; F28-F32 HydrophobicContact CD1-CB 4.47Å; F28-F32 HydrophobicContact CE1-CB 4.16Å; F28-F32 HydrophobicContact CE1-CG 4.42Å; F28-F32 HydrophobicContact CZ-CB 4.42Å; F28-F32 HydrophobicContact CZ-CD2 4.29Å; F28-F32 VanDerWaalsContact O-CB 3.24Å; F28-F32 WeakPolarHBondContact O-CB 3.49Å; F28-F32 PolarHBondContact O-N 3Å; F28-L55 HydrophobicContact CE2-CD2 4.24Å; F28-L55 HydrophobicContact CZ-CD1 4.21Å; F28-L55 HydrophobicContact CZ-CD2 4.34Å; F28-L59 HydrophobicContact CD2-CD2 4.28Å; F28-L59 HydrophobicContact CE2-CD2 4.15Å
29	E	91.4	Very high	92.3	Very high	156 Å²	156	83 Å²	83	73%	0.729	41%	0.408	S	S	*	.	H	α-helix	trans	-59.9	-49.7	177.8	-172.6	176.4	-171.1	0	0	111.7	T27 W31 F32 E33	T27-E29 VanDerWaalsContact C-N 3.27Å; T27-E29 PolarHBondContact O-N 3.3Å; E29-W31 VanDerWaalsContact C-N 3.34Å; E29-W31 PolarHBondContact O-N 2.98Å; E29-F32 PolarHBondContact O-N 3.31Å; E29-E33 WeakPolarHBondContact O-CB 3.23Å; E29-E33 PolarHBondContact O-N 2.95Å
30	S	93.6	Very high	92.4	Very high	43 Å²	43	85.3 Å²	85.3	30%	0.301	41%	0.411	S	S	.	.	H	α-helix	trans	-68.2	-32.6	179.5	66	0	0	0	0	113	G25 T27	G25-S30 PolarHBondContact O-OG 3.42Å; T27-S30 PolarHBondContact N-OG 3.02Å; T27-S30 VanDerWaalsContact N-OG 3.11Å; T27-S30 PolarHBondContact O-N 3.35Å; T27-S30 PolarHBondContact O-OG 2.84Å; T27-S30 PolarHBondContact OG1-N 3.28Å; T27-S30 PolarHBondContact OG1-OG 2.74Å
31	W	94.8	Very high	92.7	Very high	21 Å²	21	82.6 Å²	82.6	8%	0.08	41%	0.409	C	S	.	.	H	α-helix	trans	-68.6	-43.6	171.7	175.2	86.7	0	0	0	111.8	I15 T16 F18 T27 F28 E29 R34 Y35 F39 K58	I15-W31 HydrophobicContact CG2-CH2 4.19Å; I15-W31 HydrophobicContact CG2-CZ2 3.48Å; I15-W31 VanDerWaalsContact CG2-CZ2 3.48Å; T16-W31 PolarHBondContact O-NE1 2.95Å; F18-W31 HydrophobicContact CB-CD2 4.05Å; F18-W31 HydrophobicContact CB-CG 4.24Å; F18-W31 HydrophobicContact CB-CZ2 4.43Å; F18-W31 HydrophobicContact CD2-CB 3.77Å; F18-W31 HydrophobicContact CD2-CD2 4.21Å; F18-W31 AromaticContact CD2-CG 3.81Å; F18-W31 HydrophobicContact CD2-CG 3.81Å; F18-W31 HydrophobicContact CE2-CB 4.32Å; F18-W31 HydrophobicContact CG-CG 4.48Å; T27-W31 WeakPolarHBondContact O-CB 3.42Å; T27-W31 PolarHBondContact O-N 3.03Å; T27-W31 VanDerWaalsContact O-N 3.08Å; F28-W31 HydrophobicContact CD2-CE3 4.08Å; F28-W31 HydrophobicContact CD2-CZ3 4.37Å; F28-W31 AromaticContact CE2-CE3 3.92Å; F28-W31 HydrophobicContact CE2-CE3 3.92Å; F28-W31 AromaticContact CE2-CZ3 3.77Å; F28-W31 HydrophobicContact CE2-CZ3 3.77Å; F28-W31 HydrophobicContact CZ-CZ3 4.38Å; F28-W31 PolarHBondContact O-N 3.12Å; E29-W31 VanDerWaalsContact C-N 3.34Å; E29-W31 PolarHBondContact O-N 2.98Å; W31-R34 WeakPolarHBondContact O-CB 3.34Å; W31-R34 PolarHBondContact O-N 3.18Å; W31-Y35 AromaticContact CD1-CE2 3.73Å; W31-Y35 HydrophobicContact CD2-CD2 4.2Å; W31-Y35 AromaticContact CE2-CD2 3.79Å; W31-Y35 HydrophobicContact CG-CD2 4.33Å; W31-Y35 HydrophobicContact CG-CE2 4.44Å; W31-Y35 HydrophobicContact CZ2-CD2 4.24Å; W31-Y35 AromaticContact NE1-CD2 3.67Å; W31-Y35 AromaticContact NE1-CE2 3.47Å; W31-Y35 WeakPolarHBondContact O-CD2 3.22Å; W31-F39 HydrophobicContact CH2-CE2 4.23Å; W31-F39 HydrophobicContact CH2-CZ 4.31Å; W31-K58 HydrophobicContact CH2-CB 3.95Å; W31-K58 HydrophobicContact CZ2-CB 3.65Å; W31-K58 HydrophobicContact CZ2-CG 4.44Å
32	F	94.7	Very high	92.9	Very high	18 Å²	18	79.7 Å²	79.7	8%	0.079	40%	0.404	C	S	.	.	H	α-helix	trans	-68.5	-43.7	-178	-173.9	-100	0	0	0	111.4	F28 E29 R34 Y35 E36 F39 L55 F81 V85	F28-F32 HydrophobicContact CD1-CB 4.47Å; F28-F32 HydrophobicContact CE1-CB 4.16Å; F28-F32 HydrophobicContact CE1-CG 4.42Å; F28-F32 HydrophobicContact CZ-CB 4.42Å; F28-F32 HydrophobicContact CZ-CD2 4.29Å; F28-F32 VanDerWaalsContact O-CB 3.24Å; F28-F32 WeakPolarHBondContact O-CB 3.49Å; F28-F32 PolarHBondContact O-N 3Å; E29-F32 PolarHBondContact O-N 3.31Å; F32-R34 PolarHBondContact O-N 3.31Å; F32-Y35 CarbonylContact O-C 3.4Å; F32-Y35 PolarHBondContact O-N 3.33Å; F32-E36 HydrophobicContact CD1-CB 4.4Å; F32-E36 HydrophobicContact CE1-CB 4.11Å; F32-E36 HydrophobicContact CE1-CG 3.86Å; F32-E36 HydrophobicContact CZ-CG 4.36Å; F32-E36 WeakPolarHBondContact O-CA 3.02Å; F32-E36 WeakPolarHBondContact O-CB 3.22Å; F32-E36 PolarHBondContact O-N 2.82Å; F32-F39 HydrophobicContact CD2-CD2 4.29Å; F32-F39 HydrophobicContact CD2-CE2 4.47Å; F32-F39 HydrophobicContact CE2-CB 4.39Å; F32-F39 AromaticContact CE2-CD2 3.71Å; F32-F39 HydrophobicContact CE2-CD2 3.71Å; F32-F39 HydrophobicContact CE2-CE2 4.24Å; F32-F39 HydrophobicContact CE2-CG 4.17Å; F32-L55 HydrophobicContact CD2-CD1 4.38Å; F32-L55 HydrophobicContact CE2-CD1 4.18Å; F32-F81 AromaticContact CE2-CZ 3.77Å; F32-F81 HydrophobicContact CE2-CZ 3.77Å; F32-F81 HydrophobicContact CZ-CE1 4.12Å; F32-F81 AromaticContact CZ-CZ 3.76Å; F32-F81 HydrophobicContact CZ-CZ 3.76Å; F32-V85 HydrophobicContact CD2-CG1 4.11Å; F32-V85 HydrophobicContact CE1-CB 4.12Å; F32-V85 HydrophobicContact CE1-CG1 4.37Å; F32-V85 HydrophobicContact CE1-CG2 4.34Å; F32-V85 HydrophobicContact CE2-CB 4.1Å; F32-V85 HydrophobicContact CE2-CG1 3.47Å; F32-V85 VanDerWaalsContact CE2-CG1 3.47Å; F32-V85 HydrophobicContact CZ-CB 3.85Å; F32-V85 HydrophobicContact CZ-CG1 3.62Å; F32-V85 HydrophobicContact CZ-CG2 4.11Å
33	E	95	Very high	93.3	Very high	146 Å²	146	75.8 Å²	75.8	68%	0.682	38%	0.38	S	S	*	.	H	α-helix	trans	-52.7	-39.8	175.4	-174.3	-179	-161.8	0	0	111.6	E29 Y35	E29-E33 WeakPolarHBondContact O-CB 3.23Å; E29-E33 PolarHBondContact O-N 2.95Å; E33-Y35 VanDerWaalsContact C-N 3.29Å; E33-Y35 PolarHBondContact O-N 3Å
34	R	95.4	Very high	93.4	Very high	184 Å²	184	69.9 Å²	69.9	69%	0.694	36%	0.362	S	S	*	.	H	α-helix	trans	-64	-30.9	177	-178.3	176.3	-179.7	-178.6	-0.8	114	W31 F32	W31-R34 WeakPolarHBondContact O-CB 3.34Å; W31-R34 PolarHBondContact O-N 3.18Å; F32-R34 PolarHBondContact O-N 3.31Å
35	Y	95.9	Very high	93.5	Very high	13 Å²	13	67.8 Å²	67.8	5%	0.051	36%	0.357	C	S	.	.	H	α-helix	trans	-115.5	7.3	-173.6	-61.8	-62.2	0	0	0	113.2	H14 I15 T16 W31 F32 E33 D37 I38 F39	H14-Y35 VanDerWaalsContact O-CE1 3.3Å; H14-Y35 WeakPolarHBondContact O-CE1 3.29Å; I15-Y35 HydrophobicContact CB-CD1 4.4Å; I15-Y35 HydrophobicContact CG1-CD1 4.16Å; I15-Y35 HydrophobicContact CG1-CG 4.3Å; I15-Y35 HydrophobicContact CG2-CD1 4.32Å; I15-Y35 HydrophobicContact CG2-CD2 3.95Å; I15-Y35 HydrophobicContact CG2-CE2 4.3Å; I15-Y35 HydrophobicContact CG2-CG 3.98Å; T16-Y35 WeakPolarHBondContact CG2-OH 3.31Å; T16-Y35 PolarHBondContact OG1-OH 3.15Å; W31-Y35 AromaticContact CD1-CE2 3.73Å; W31-Y35 HydrophobicContact CD2-CD2 4.2Å; W31-Y35 AromaticContact CE2-CD2 3.79Å; W31-Y35 HydrophobicContact CG-CD2 4.33Å; W31-Y35 HydrophobicContact CG-CE2 4.44Å; W31-Y35 HydrophobicContact CZ2-CD2 4.24Å; W31-Y35 AromaticContact NE1-CD2 3.67Å; W31-Y35 AromaticContact NE1-CE2 3.47Å; W31-Y35 WeakPolarHBondContact O-CD2 3.22Å; F32-Y35 CarbonylContact O-C 3.4Å; F32-Y35 PolarHBondContact O-N 3.33Å; E33-Y35 VanDerWaalsContact C-N 3.29Å; E33-Y35 PolarHBondContact O-N 3Å; Y35-D37 VanDerWaalsContact C-N 3.32Å; Y35-D37 PolarHBondContact O-N 2.77Å; Y35-I38 HydrophobicContact CD1-CD1 3.84Å; Y35-I38 WeakPolarHBondContact O-CB 3.3Å; Y35-I38 PolarHBondContact O-N 3.28Å; Y35-F39 WeakPolarHBondContact O-CD2 3.39Å; Y35-F39 PolarHBondContact O-N 3.37Å
36	E	94.6	Very high	93.7	Very high	64 Å²	64	67.3 Å²	67.3	30%	0.299	34%	0.344	S	S	.	.	H	α-helix	trans	-57.3	-45.3	-171.4	178.7	175	-149.9	0	0	111.6	F32 I38 F39 K40	F32-E36 HydrophobicContact CD1-CB 4.4Å; F32-E36 HydrophobicContact CE1-CB 4.11Å; F32-E36 HydrophobicContact CE1-CG 3.86Å; F32-E36 HydrophobicContact CZ-CG 4.36Å; F32-E36 WeakPolarHBondContact O-CA 3.02Å; F32-E36 WeakPolarHBondContact O-CB 3.22Å; F32-E36 PolarHBondContact O-N 2.82Å; E36-I38 VanDerWaalsContact C-N 3.29Å; E36-I38 PolarHBondContact O-N 3.06Å; E36-F39 PolarHBondContact O-N 2.58Å; E36-F39 VanDerWaalsContact O-N 3.09Å; E36-K40 HydrophobicContact CG-CD 3.69Å; E36-K40 HydrophobicContact CG-CG 4.1Å; E36-K40 WeakPolarHBondContact O-CB 3.21Å; E36-K40 PolarHBondContact O-N 3.23Å; E36-K40 WeakPolarHBondContact OE1-CE 3.38Å; E36-K40 IonicContact OE1-NZ 2.58Å; E36-K40 PolarHBondContact OE1-NZ 3.08Å
37	D	95.5	Very high	93.8	Very high	115 Å²	115	67.1 Å²	67.1	62%	0.615	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-33.8	179.1	-84.3	-13.4	0	0	0	112.6	Y35 F39 K40 V41 D42	Y35-D37 VanDerWaalsContact C-N 3.32Å; Y35-D37 PolarHBondContact O-N 2.77Å; D37-F39 VanDerWaalsContact C-N 3.28Å; D37-F39 PolarHBondContact O-N 2.87Å; D37-K40 PolarHBondContact O-N 3.42Å; D37-V41 HydrophobicContact CB-CG2 4.44Å; D37-V41 VanDerWaalsContact O-CA 3.31Å; D37-V41 WeakPolarHBondContact O-CA 3.48Å; D37-V41 WeakPolarHBondContact O-CB 3.19Å; D37-V41 PolarHBondContact O-N 3.23Å; D37-D42 PolarHBondContact O-N 2.69Å
38	I	95.6	Very high	93.7	Very high	20 Å²	20	67.9 Å²	67.9	10%	0.103	35%	0.35	C	S	.	.	I	π-helix	trans	-61.7	-45.3	175.6	-58.9	179.9	0	0	0	109	A11 H14 I15 Y35 E36 D42 V43	A11-I38 HydrophobicContact CB-CG2 3.62Å; H14-I38 HydrophobicContact CB-CD1 3.74Å; I15-I38 HydrophobicContact CD1-CG2 3.87Å; I15-I38 HydrophobicContact CG1-CB 4.49Å; I15-I38 HydrophobicContact CG1-CD1 3.76Å; I15-I38 HydrophobicContact CG1-CG2 4.12Å; Y35-I38 HydrophobicContact CD1-CD1 3.84Å; Y35-I38 WeakPolarHBondContact O-CB 3.3Å; Y35-I38 PolarHBondContact O-N 3.28Å; E36-I38 VanDerWaalsContact C-N 3.29Å; E36-I38 PolarHBondContact O-N 3.06Å; I38-D42 HydrophobicContact CG2-CB 4.28Å; I38-D42 WeakPolarHBondContact O-CB 3.42Å; I38-D42 PolarHBondContact O-N 3.2Å; I38-V43 WeakPolarHBondContact O-CG2 3.21Å; I38-V43 PolarHBondContact O-N 2.93Å
39	F	93.8	Very high	93.7	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.352	C	S	.	.	I	π-helix	trans	-72.8	-37.9	179.7	-71.4	-75	0	0	0	113.7	I15 W31 F32 Y35 E36 D37 V43 R51 L54 L55 F81	I15-F39 HydrophobicContact CD1-CE1 4.24Å; I15-F39 HydrophobicContact CD1-CE2 3.9Å; I15-F39 HydrophobicContact CD1-CZ 3.67Å; W31-F39 HydrophobicContact CH2-CE2 4.23Å; W31-F39 HydrophobicContact CH2-CZ 4.31Å; F32-F39 HydrophobicContact CD2-CD2 4.29Å; F32-F39 HydrophobicContact CD2-CE2 4.47Å; F32-F39 HydrophobicContact CE2-CB 4.39Å; F32-F39 AromaticContact CE2-CD2 3.71Å; F32-F39 HydrophobicContact CE2-CD2 3.71Å; F32-F39 HydrophobicContact CE2-CE2 4.24Å; F32-F39 HydrophobicContact CE2-CG 4.17Å; Y35-F39 WeakPolarHBondContact O-CD2 3.39Å; Y35-F39 PolarHBondContact O-N 3.37Å; E36-F39 PolarHBondContact O-N 2.58Å; E36-F39 VanDerWaalsContact O-N 3.09Å; D37-F39 VanDerWaalsContact C-N 3.28Å; D37-F39 PolarHBondContact O-N 2.87Å; F39-V43 HydrophobicContact CD1-CG2 4.47Å; F39-R51 PolarHBondContact O-NE 3.16Å; F39-R51 VanDerWaalsContact O-NE 3.16Å; F39-R51 PolarHBondContact O-NH2 2.96Å; F39-L54 HydrophobicContact CD1-CD2 4.48Å; F39-L54 HydrophobicContact CE1-CB 4.42Å; F39-L54 HydrophobicContact CE1-CD2 4.03Å; F39-L54 HydrophobicContact CE1-CG 4.01Å; F39-L55 HydrophobicContact CE1-CB 3.78Å; F39-L55 HydrophobicContact CE1-CD1 4.44Å; F39-L55 HydrophobicContact CE1-CG 4.43Å; F39-L55 HydrophobicContact CZ-CB 3.98Å; F39-L55 HydrophobicContact CZ-CD1 4.37Å; F39-L55 HydrophobicContact CZ-CG 4.23Å; F39-F81 HydrophobicContact CB-CE1 4.05Å; F39-F81 HydrophobicContact CB-CE2 3.99Å; F39-F81 HydrophobicContact CB-CZ 3.34Å; F39-F81 AromaticContact CD1-CE2 3.59Å; F39-F81 HydrophobicContact CD1-CE2 3.59Å; F39-F81 AromaticContact CD1-CZ 3.84Å; F39-F81 HydrophobicContact CD1-CZ 3.84Å; F39-F81 HydrophobicContact CE1-CE2 4.29Å; F39-F81 AromaticContact CG-CE2 3.93Å; F39-F81 HydrophobicContact CG-CE2 3.93Å; F39-F81 AromaticContact CG-CZ 3.67Å; F39-F81 HydrophobicContact CG-CZ 3.67Å
40	K	92.5	Very high	93.7	Very high	107 Å²	107	60.5 Å²	60.5	47%	0.465	32%	0.32	S	S	.	.	I	π-helix	trans	-90.2	-21.1	-174.2	-70.7	-168	178	177.9	0	114.1	E36 D37 A44	E36-K40 HydrophobicContact CG-CD 3.69Å; E36-K40 HydrophobicContact CG-CG 4.1Å; E36-K40 WeakPolarHBondContact O-CB 3.21Å; E36-K40 PolarHBondContact O-N 3.23Å; E36-K40 WeakPolarHBondContact OE1-CE 3.38Å; E36-K40 IonicContact OE1-NZ 2.58Å; E36-K40 PolarHBondContact OE1-NZ 3.08Å; D37-K40 PolarHBondContact O-N 3.42Å; K40-A44 WeakPolarHBondContact O-CB 3.45Å
41	V	94.5	Very high	93.7	Very high	92 Å²	92	60 Å²	60	56%	0.558	31%	0.311	S	S	*	.	I	π-helix	trans	-119.4	-63.1	-176.6	-173.1	0	0	0	0	110.5	D37 V43 A44	D37-V41 HydrophobicContact CB-CG2 4.44Å; D37-V41 VanDerWaalsContact O-CA 3.31Å; D37-V41 WeakPolarHBondContact O-CA 3.48Å; D37-V41 WeakPolarHBondContact O-CB 3.19Å; D37-V41 PolarHBondContact O-N 3.23Å; V41-V43 VanDerWaalsContact C-N 3.32Å; V41-V43 PolarHBondContact O-N 2.84Å; V41-A44 WeakPolarHBondContact O-CB 3.34Å; V41-A44 PolarHBondContact O-N 2.82Å
42	D	94.1	Very high	93.4	Very high	86 Å²	86	59 Å²	59	46%	0.46	31%	0.307	S	S	.	.	I	π-helix	trans	-65.9	-34.9	-169	-63.5	-11.1	0	0	0	113	Q7 D37 I38	Q7-D42 PolarHBondContact NE2-O 3.13Å; D37-D42 PolarHBondContact O-N 2.69Å; I38-D42 HydrophobicContact CG2-CB 4.28Å; I38-D42 WeakPolarHBondContact O-CB 3.42Å; I38-D42 PolarHBondContact O-N 3.2Å
43	V	94.1	Very high	93.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	21.7	176.6	-56.6	0	0	0	0	113.7	A11 I38 F39 V41 S45 L46 R51 L54	A11-V43 HydrophobicContact CB-CG1 3.39Å; I38-V43 WeakPolarHBondContact O-CG2 3.21Å; I38-V43 PolarHBondContact O-N 2.93Å; F39-V43 HydrophobicContact CD1-CG2 4.47Å; V41-V43 VanDerWaalsContact C-N 3.32Å; V41-V43 PolarHBondContact O-N 2.84Å; V43-S45 PolarHBondContact O-N 3.12Å; V43-S45 VanDerWaalsContact O-N 3.16Å; V43-L46 HydrophobicContact CB-CB 4.48Å; V43-L46 HydrophobicContact CB-CD1 3.72Å; V43-L46 HydrophobicContact CB-CG 3.96Å; V43-L46 HydrophobicContact CG1-CD1 3.98Å; V43-L46 WeakPolarHBondContact O-CB 3.29Å; V43-L46 PolarHBondContact O-N 3.04Å; V43-R51 HydrophobicContact CG2-CG 4.14Å; V43-L54 HydrophobicContact CG1-CD2 4.24Å; V43-L54 HydrophobicContact CG2-CD2 4.3Å
44	A	93.2	Very high	93.1	Very high	55 Å²	55	56.5 Å²	56.5	46%	0.455	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.2	-179.8	0	0	0	0	0	113.8	K40 V41 L46	K40-A44 WeakPolarHBondContact O-CB 3.45Å; V41-A44 WeakPolarHBondContact O-CB 3.34Å; V41-A44 PolarHBondContact O-N 2.82Å; A44-L46 VanDerWaalsContact C-N 3.32Å
45	S	93.8	Very high	92.9	Very high	79 Å²	79	47.9 Å²	47.9	55%	0.552	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.5	176.4	54.6	0	0	0	0	113.7	Q7 V43	Q7-S45 PolarHBondContact NE2-OG 3.27Å; Q7-S45 VanDerWaalsContact NE2-OG 3.13Å; Q7-S45 PolarHBondContact OE1-OG 3.04Å; V43-S45 PolarHBondContact O-N 3.12Å; V43-S45 VanDerWaalsContact O-N 3.16Å
46	L	93.3	Very high	92.5	Very high	33 Å²	33	49.1 Å²	49.1	17%	0.173	27%	0.269	C	S	.	.	S	Bend	trans	-74.1	143.5	179.1	-64.7	-171.8	0	0	0	110.5	Q8 V43 A44 A50 R51	Q8-L46 HydrophobicContact CB-CD1 3.85Å; Q8-L46 HydrophobicContact CG-CD1 4.32Å; V43-L46 HydrophobicContact CB-CB 4.48Å; V43-L46 HydrophobicContact CB-CD1 3.72Å; V43-L46 HydrophobicContact CB-CG 3.96Å; V43-L46 HydrophobicContact CG1-CD1 3.98Å; V43-L46 WeakPolarHBondContact O-CB 3.29Å; V43-L46 PolarHBondContact O-N 3.04Å; A44-L46 VanDerWaalsContact C-N 3.32Å; L46-A50 HydrophobicContact CB-CB 4.17Å; L46-A50 HydrophobicContact CD1-CB 4.37Å; L46-R51 HydrophobicContact CB-CG 3.83Å; L46-R51 WeakPolarHBondContact O-CD 3.46Å
47	P	92.5	Very high	92.4	Very high	77 Å²	77	51.6 Å²	51.6	50%	0.5	28%	0.281	S	S	.	.			trans	-63.4	153.2	171.2	30.7	-36	0	0	0	110.2	D49 A50 R51	P47-D49 VanDerWaalsContact C-N 3.25Å; P47-D49 VanDerWaalsContact CB-OD1 3.26Å; P47-D49 WeakPolarHBondContact CB-OD1 3.5Å; P47-D49 VanDerWaalsContact CG-OD1 3.26Å; P47-D49 WeakPolarHBondContact CG-OD1 3.48Å; P47-D49 PolarHBondContact O-N 2.96Å; P47-A50 HydrophobicContact CG-CB 3.95Å; P47-A50 WeakPolarHBondContact O-CA 3.29Å; P47-A50 WeakPolarHBondContact O-CB 3.46Å; P47-A50 PolarHBondContact O-N 3.39Å; P47-R51 PolarHBondContact O-N 2.85Å; P47-R51 VanDerWaalsContact O-N 3.13Å
48	D	90.7	Very high	92.2	Very high	56 Å²	56	47.5 Å²	47.5	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-56.8	-38.2	-173.4	-92.7	8.1	0	0	0	113	A50 R51 V52 T80 F81	D48-A50 PolarHBondContact O-N 3.31Å; D48-R51 PolarHBondContact O-N 3.18Å; D48-R51 VanDerWaalsContact O-N 3.12Å; D48-R51 IonicContact OD1-NH1 3.87Å; D48-R51 PolarHBondContact OD1-NH1 3.16Å; D48-R51 VanDerWaalsContact OD1-NH1 3.16Å; D48-V52 WeakPolarHBondContact O-CB 3.4Å; D48-V52 VanDerWaalsContact O-CG2 3.29Å; D48-V52 WeakPolarHBondContact O-CG2 3.1Å; D48-V52 PolarHBondContact O-N 3.49Å; D48-T80 WeakPolarHBondContact OD2-CA 3.41Å; D48-T80 WeakPolarHBondContact OD2-CB 3.42Å; D48-F81 HydrophobicContact CB-CB 4.4Å; D48-F81 VanDerWaalsContact CG-N 3.35Å; D48-F81 WeakPolarHBondContact OD1-CB 3.31Å; D48-F81 PolarHBondContact OD2-N 2.87Å
49	D	88.5	Confident	91.9	Very high	57 Å²	57	48.1 Å²	48.1	31%	0.305	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-32	177.1	72.3	-47.1	0	0	0	112.5	P47 R53	P47-D49 VanDerWaalsContact C-N 3.25Å; P47-D49 VanDerWaalsContact CB-OD1 3.26Å; P47-D49 WeakPolarHBondContact CB-OD1 3.5Å; P47-D49 VanDerWaalsContact CG-OD1 3.26Å; P47-D49 WeakPolarHBondContact CG-OD1 3.48Å; P47-D49 PolarHBondContact O-N 2.96Å; D49-R53 WeakPolarHBondContact O-CB 3.45Å; D49-R53 VanDerWaalsContact O-CG 3.28Å; D49-R53 WeakPolarHBondContact O-CG 3.44Å; D49-R53 VanDerWaalsContact O-CZ 3.32Å; D49-R53 PolarHBondContact O-N 3.34Å; D49-R53 PolarHBondContact O-NH1 2.81Å; D49-R53 IonicContact OD1-NH2 3.22Å; D49-R53 IonicContact OD2-CZ 2.84Å; D49-R53 IonicContact OD2-NH1 3.16Å; D49-R53 PolarHBondContact OD2-NH1 3.4Å; D49-R53 IonicContact OD2-NH2 2.69Å; D49-R53 PolarHBondContact OD2-NH2 3.23Å
50	A	92	Very high	91.5	Very high	5 Å²	5	49.5 Å²	49.5	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-74.6	-39.4	173.9	0	0	0	0	0	112.1	L46 P47 D48 R53 L54	L46-A50 HydrophobicContact CB-CB 4.17Å; L46-A50 HydrophobicContact CD1-CB 4.37Å; P47-A50 HydrophobicContact CG-CB 3.95Å; P47-A50 WeakPolarHBondContact O-CA 3.29Å; P47-A50 WeakPolarHBondContact O-CB 3.46Å; P47-A50 PolarHBondContact O-N 3.39Å; D48-A50 PolarHBondContact O-N 3.31Å; A50-R53 PolarHBondContact O-N 2.74Å; A50-L54 PolarHBondContact O-N 3.35Å
51	R	92.8	Very high	90.8	Very high	31 Å²	31	48.5 Å²	48.5	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-41.7	175.7	-63.2	171	68.4	-156.6	9.3	111.2	F39 V43 L46 P47 D48 L54 L55 F81	F39-R51 PolarHBondContact O-NE 3.16Å; F39-R51 VanDerWaalsContact O-NE 3.16Å; F39-R51 PolarHBondContact O-NH2 2.96Å; V43-R51 HydrophobicContact CG2-CG 4.14Å; L46-R51 HydrophobicContact CB-CG 3.83Å; L46-R51 WeakPolarHBondContact O-CD 3.46Å; P47-R51 PolarHBondContact O-N 2.85Å; P47-R51 VanDerWaalsContact O-N 3.13Å; D48-R51 PolarHBondContact O-N 3.18Å; D48-R51 VanDerWaalsContact O-N 3.12Å; D48-R51 IonicContact OD1-NH1 3.87Å; D48-R51 PolarHBondContact OD1-NH1 3.16Å; D48-R51 VanDerWaalsContact OD1-NH1 3.16Å; R51-L54 PolarHBondContact O-N 2.92Å; R51-L55 PolarHBondContact O-N 3.21Å; R51-F81 HydrophobicContact CB-CB 4.32Å; R51-F81 HydrophobicContact CB-CD2 3.61Å; R51-F81 HydrophobicContact CB-CE2 4.26Å; R51-F81 HydrophobicContact CB-CG 4.14Å
52	V	90	Very high	89.7	Confident	1 Å²	1	48 Å²	48	1%	0.006	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-45.3	173.7	174	0	0	0	0	110.7	D48 L54 L55 S56 P76	D48-V52 WeakPolarHBondContact O-CB 3.4Å; D48-V52 VanDerWaalsContact O-CG2 3.29Å; D48-V52 WeakPolarHBondContact O-CG2 3.1Å; D48-V52 PolarHBondContact O-N 3.49Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 2.8Å; V52-L55 PolarHBondContact O-N 3.01Å; V52-S56 WeakPolarHBondContact O-CB 3.39Å; V52-S56 PolarHBondContact O-N 3.3Å; V52-S56 PolarHBondContact O-OG 3.34Å; V52-P76 HydrophobicContact CG1-CB 4.16Å
53	R	90.1	Very high	88.6	Confident	112 Å²	112	45.2 Å²	45.2	42%	0.423	27%	0.274	S	S	.	.	H	α-helix	trans	-57.2	-45.1	174.1	-81.4	-174.4	-62.8	-89.9	4.8	112.5	D49 A50 S56 Q57	D49-R53 WeakPolarHBondContact O-CB 3.45Å; D49-R53 VanDerWaalsContact O-CG 3.28Å; D49-R53 WeakPolarHBondContact O-CG 3.44Å; D49-R53 VanDerWaalsContact O-CZ 3.32Å; D49-R53 PolarHBondContact O-N 3.34Å; D49-R53 PolarHBondContact O-NH1 2.81Å; D49-R53 IonicContact OD1-NH2 3.22Å; D49-R53 IonicContact OD2-CZ 2.84Å; D49-R53 IonicContact OD2-NH1 3.16Å; D49-R53 PolarHBondContact OD2-NH1 3.4Å; D49-R53 IonicContact OD2-NH2 2.69Å; D49-R53 PolarHBondContact OD2-NH2 3.23Å; A50-R53 PolarHBondContact O-N 2.74Å; R53-S56 PolarHBondContact O-N 3.35Å; R53-Q57 VanDerWaalsContact O-CG 3.26Å; R53-Q57 WeakPolarHBondContact O-CG 3.24Å; R53-Q57 PolarHBondContact O-N 3.41Å
54	L	92.5	Very high	87.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-44.9	177.5	176.2	62.4	0	0	0	111.3	Q8 A11 I15 F39 V43 A50 R51 V52 Q57	Q8-L54 HydrophobicContact CG-CB 4.41Å; Q8-L54 HydrophobicContact CG-CD1 4.25Å; A11-L54 HydrophobicContact CB-CD2 3.9Å; I15-L54 HydrophobicContact CD1-CD2 4.19Å; I15-L54 HydrophobicContact CD1-CG 4.33Å; F39-L54 HydrophobicContact CD1-CD2 4.48Å; F39-L54 HydrophobicContact CE1-CB 4.42Å; F39-L54 HydrophobicContact CE1-CD2 4.03Å; F39-L54 HydrophobicContact CE1-CG 4.01Å; V43-L54 HydrophobicContact CG1-CD2 4.24Å; V43-L54 HydrophobicContact CG2-CD2 4.3Å; A50-L54 PolarHBondContact O-N 3.35Å; R51-L54 PolarHBondContact O-N 2.92Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 2.8Å; L54-Q57 WeakPolarHBondContact O-CB 3.26Å; L54-Q57 PolarHBondContact O-N 2.93Å
55	L	91.9	Very high	86.1	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-61.9	-48.1	176.8	-172.3	150.5	0	0	0	111.1	F28 F32 F39 R51 V52 Q57 K58 L59 F81 T84 V85	F28-L55 HydrophobicContact CE2-CD2 4.24Å; F28-L55 HydrophobicContact CZ-CD1 4.21Å; F28-L55 HydrophobicContact CZ-CD2 4.34Å; F32-L55 HydrophobicContact CD2-CD1 4.38Å; F32-L55 HydrophobicContact CE2-CD1 4.18Å; F39-L55 HydrophobicContact CE1-CB 3.78Å; F39-L55 HydrophobicContact CE1-CD1 4.44Å; F39-L55 HydrophobicContact CE1-CG 4.43Å; F39-L55 HydrophobicContact CZ-CB 3.98Å; F39-L55 HydrophobicContact CZ-CD1 4.37Å; F39-L55 HydrophobicContact CZ-CG 4.23Å; R51-L55 PolarHBondContact O-N 3.21Å; V52-L55 PolarHBondContact O-N 3.01Å; L55-Q57 VanDerWaalsContact C-N 3.27Å; L55-Q57 PolarHBondContact O-N 3.19Å; L55-K58 PolarHBondContact O-N 3.38Å; L55-L59 HydrophobicContact CD2-CD1 4.11Å; L55-L59 HydrophobicContact CD2-CG 4.36Å; L55-L59 PolarHBondContact O-N 3.16Å; L55-F81 HydrophobicContact CD1-CE2 3.89Å; L55-F81 HydrophobicContact CD1-CZ 4.48Å; L55-T84 HydrophobicContact CD1-CG2 4.46Å; L55-T84 HydrophobicContact CD2-CG2 4.14Å; L55-V85 HydrophobicContact CD1-CG1 3.59Å
56	S	87.7	Confident	85	Confident	39 Å²	39	53.8 Å²	53.8	27%	0.273	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-33.9	178.6	-59.9	0	0	0	0	112.8	V52 R53 K58 L59	V52-S56 WeakPolarHBondContact O-CB 3.39Å; V52-S56 PolarHBondContact O-N 3.3Å; V52-S56 PolarHBondContact O-OG 3.34Å; R53-S56 PolarHBondContact O-N 3.35Å; S56-K58 PolarHBondContact O-N 2.78Å; S56-L59 PolarHBondContact O-N 3.05Å
57	Q	90.8	Very high	83.8	Confident	116 Å²	116	54.4 Å²	54.4	54%	0.542	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.2	175.3	-78	172.3	-9.7	0	0	113.7	R53 L54 L55	R53-Q57 VanDerWaalsContact O-CG 3.26Å; R53-Q57 WeakPolarHBondContact O-CG 3.24Å; R53-Q57 PolarHBondContact O-N 3.41Å; L54-Q57 WeakPolarHBondContact O-CB 3.26Å; L54-Q57 PolarHBondContact O-N 2.93Å; L55-Q57 VanDerWaalsContact C-N 3.27Å; L55-Q57 PolarHBondContact O-N 3.19Å
58	K	92.2	Very high	82.7	Confident	30 Å²	30	52.1 Å²	52.1	13%	0.13	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.1	178.9	-55.8	-61.7	177.2	174.1	0	113	S12 I15 E17 F18 W31 L55 S56	S12-K58 WeakPolarHBondContact O-CE 3.38Å; S12-K58 PolarHBondContact O-NZ 2.94Å; S12-K58 VanDerWaalsContact OG-CE 3.25Å; S12-K58 WeakPolarHBondContact OG-CE 3.49Å; S12-K58 PolarHBondContact OG-NZ 3.33Å; I15-K58 HydrophobicContact CB-CD 4.26Å; I15-K58 HydrophobicContact CB-CG 4.19Å; I15-K58 HydrophobicContact CG2-CB 4.18Å; I15-K58 HydrophobicContact CG2-CD 4.11Å; I15-K58 HydrophobicContact CG2-CG 3.7Å; I15-K58 PolarHBondContact O-NZ 3Å; E17-K58 CarbonylContact C-O 3.57Å; E17-K58 WeakPolarHBondContact CA-O 3.26Å; E17-K58 WeakPolarHBondContact CG-O 3.28Å; F18-K58 PolarHBondContact N-O 3.31Å; W31-K58 HydrophobicContact CH2-CB 3.95Å; W31-K58 HydrophobicContact CZ2-CB 3.65Å; W31-K58 HydrophobicContact CZ2-CG 4.44Å; L55-K58 PolarHBondContact O-N 3.38Å; S56-K58 PolarHBondContact O-N 2.78Å
59	L	88.6	Confident	81.9	Confident	32 Å²	32	56.8 Å²	56.8	17%	0.168	31%	0.308	C	S	.	.	S	Bend	trans	-84.9	136.5	170.5	-60.8	179.7	0	0	0	109.1	F18 F28 L55 S56	F18-L59 HydrophobicContact CB-CD2 3.96Å; F18-L59 HydrophobicContact CD1-CD2 3.76Å; F18-L59 HydrophobicContact CG-CD2 4.1Å; F28-L59 HydrophobicContact CD2-CD2 4.28Å; F28-L59 HydrophobicContact CE2-CD2 4.15Å; L55-L59 HydrophobicContact CD2-CD1 4.11Å; L55-L59 HydrophobicContact CD2-CG 4.36Å; L55-L59 PolarHBondContact O-N 3.16Å; S56-L59 PolarHBondContact O-N 3.05Å
60	P	85.4	Confident	81	Confident	29 Å²	29	63.9 Å²	63.9	19%	0.188	33%	0.332	C	S	.	.			trans	-65	150.6	177.7	26.7	-31.8	0	0	0	109.8	F18 A62 S63	F18-P60 HydrophobicContact CD1-CG 4.47Å; F18-P60 WeakPolarHBondContact O-CD 3.48Å; P60-A62 PolarHBondContact O-N 2.96Å; P60-S63 WeakPolarHBondContact CG-OG 3.26Å; P60-S63 WeakPolarHBondContact O-CA 3.45Å; P60-S63 VanDerWaalsContact O-CB 3.29Å; P60-S63 WeakPolarHBondContact O-CB 3.47Å; P60-S63 PolarHBondContact O-N 2.65Å
61	A	77.4	Confident	80.1	Confident	86 Å²	86	64.3 Å²	64.3	71%	0.711	33%	0.334	S	S	*	.	H	α-helix	trans	-54	-33.6	-177.3	0	0	0	0	0	113.5	S63 H64	A61-S63 PolarHBondContact O-N 3.2Å; A61-H64 WeakPolarHBondContact O-CB 3.41Å; A61-H64 PolarHBondContact O-N 3.2Å
62	A	72.6	Confident	79.1	Confident	81 Å²	81	68.5 Å²	68.5	67%	0.669	36%	0.358	S	S	*	.	H	α-helix	trans	-62.1	-28.3	175.6	0	0	0	0	0	113.3	P60 H64	P60-A62 PolarHBondContact O-N 2.96Å; A62-H64 VanDerWaalsContact C-N 3.31Å
63	S	70.2	Confident	78.5	Confident	28 Å²	28	74.6 Å²	74.6	20%	0.196	40%	0.398	C	S	.	.	H	α-helix	trans	-75.2	-20.8	174.4	-63	0	0	0	0	112.6	P60 A61 D65 N66 Y67	P60-S63 WeakPolarHBondContact CG-OG 3.26Å; P60-S63 WeakPolarHBondContact O-CA 3.45Å; P60-S63 VanDerWaalsContact O-CB 3.29Å; P60-S63 WeakPolarHBondContact O-CB 3.47Å; P60-S63 PolarHBondContact O-N 2.65Å; A61-S63 PolarHBondContact O-N 3.2Å; S63-D65 VanDerWaalsContact C-N 3.34Å; S63-D65 PolarHBondContact O-N 3.29Å; S63-N66 PolarHBondContact O-N 2.75Å; S63-Y67 WeakPolarHBondContact O-CB 3.42Å; S63-Y67 PolarHBondContact O-N 3.02Å
64	H	67.1	Low	77.9	Confident	118 Å²	118	74.4 Å²	74.4	55%	0.546	40%	0.4	S	S	.	.	H	α-helix	trans	-63.1	-39.7	178.7	-174.4	-86	0	0	0	111.8	A61 A62 N66 Y67 A68	A61-H64 WeakPolarHBondContact O-CB 3.41Å; A61-H64 PolarHBondContact O-N 3.2Å; A62-H64 VanDerWaalsContact C-N 3.31Å; H64-N66 VanDerWaalsContact C-N 3.33Å; H64-N66 PolarHBondContact O-N 3.23Å; H64-Y67 PolarHBondContact O-N 3.24Å; H64-A68 VanDerWaalsContact O-CB 3.3Å; H64-A68 WeakPolarHBondContact O-CB 3.42Å; H64-A68 PolarHBondContact O-N 3.39Å
65	D	67.2	Low	77.1	Confident	107 Å²	107	78.9 Å²	78.9	57%	0.572	42%	0.421	S	S	*	.	H	α-helix	trans	-65.9	-36.8	177.6	-80.3	-4.2	0	0	0	112.3	S63 K69	S63-D65 VanDerWaalsContact C-N 3.34Å; S63-D65 PolarHBondContact O-N 3.29Å; D65-K69 WeakPolarHBondContact O-CD 3.35Å; D65-K69 VanDerWaalsContact O-CG 3.23Å; D65-K69 WeakPolarHBondContact O-CG 3.42Å; D65-K69 PolarHBondContact O-N 3.35Å
66	N	72.5	Confident	76.2	Confident	89 Å²	89	81.3 Å²	81.3	48%	0.476	44%	0.437	S	S	.	.	H	α-helix	trans	-70.3	-45.4	174.2	-76.9	-21.1	0	0	0	110.7	S63 H64 A68 K69 Y70	S63-N66 PolarHBondContact O-N 2.75Å; H64-N66 VanDerWaalsContact C-N 3.33Å; H64-N66 PolarHBondContact O-N 3.23Å; N66-A68 PolarHBondContact O-N 3.09Å; N66-K69 WeakPolarHBondContact O-CB 3.38Å; N66-K69 PolarHBondContact O-N 3.34Å; N66-Y70 WeakPolarHBondContact O-CD2 3.44Å; N66-Y70 PolarHBondContact O-N 2.82Å
67	Y	68	Low	75.9	Confident	47 Å²	47	87.5 Å²	87.5	18%	0.184	45%	0.454	C	S	.	.	H	α-helix	trans	-57.9	-49.6	176.6	-172.9	-97.4	0	0	0	111.1	S63 H64 K69 Y70 V71 P76	S63-Y67 WeakPolarHBondContact O-CB 3.42Å; S63-Y67 PolarHBondContact O-N 3.02Å; H64-Y67 PolarHBondContact O-N 3.24Å; Y67-K69 VanDerWaalsContact C-N 3.27Å; Y67-K69 PolarHBondContact O-N 2.88Å; Y67-Y70 PolarHBondContact O-N 3.13Å; Y67-V71 HydrophobicContact CD1-CB 4.3Å; Y67-V71 HydrophobicContact CD1-CG1 4.44Å; Y67-V71 HydrophobicContact CD1-CG2 3.82Å; Y67-V71 HydrophobicContact CD2-CG2 3.85Å; Y67-V71 HydrophobicContact CE1-CB 4.08Å; Y67-V71 HydrophobicContact CE1-CG1 3.79Å; Y67-V71 HydrophobicContact CE1-CG2 3.62Å; Y67-V71 HydrophobicContact CE2-CG2 3.67Å; Y67-V71 HydrophobicContact CG-CG2 3.93Å; Y67-V71 WeakPolarHBondContact O-CB 3.39Å; Y67-V71 WeakPolarHBondContact O-CG2 3.2Å; Y67-V71 PolarHBondContact O-N 2.92Å; Y67-P76 HydrophobicContact CE1-CB 4.04Å; Y67-P76 HydrophobicContact CE1-CG 3.93Å
68	A	69	Low	75.6	Confident	29 Å²	29	86.1 Å²	86.1	24%	0.24	45%	0.451	C	S	.	.	H	α-helix	trans	-58	-36.7	178.7	0	0	0	0	0	113	H64 N66 Y70 L72	H64-A68 VanDerWaalsContact O-CB 3.3Å; H64-A68 WeakPolarHBondContact O-CB 3.42Å; H64-A68 PolarHBondContact O-N 3.39Å; N66-A68 PolarHBondContact O-N 3.09Å; A68-Y70 VanDerWaalsContact C-N 3.34Å; A68-Y70 PolarHBondContact O-N 3.07Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 WeakPolarHBondContact O-CD1 3.37Å; A68-L72 VanDerWaalsContact O-CG 3.23Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 3.36Å; A68-L72 VanDerWaalsContact O-N 3.17Å
69	K	72.8	Confident	75.2	Confident	153 Å²	153	86.6 Å²	86.6	67%	0.665	45%	0.453	S	S	*	.	H	α-helix	trans	-64.8	-34.4	176.7	-75.2	168	-172.1	169.9	0	113.5	D65 N66 Y67	D65-K69 WeakPolarHBondContact O-CD 3.35Å; D65-K69 VanDerWaalsContact O-CG 3.23Å; D65-K69 WeakPolarHBondContact O-CG 3.42Å; D65-K69 PolarHBondContact O-N 3.35Å; N66-K69 WeakPolarHBondContact O-CB 3.38Å; N66-K69 PolarHBondContact O-N 3.34Å; Y67-K69 VanDerWaalsContact C-N 3.27Å; Y67-K69 PolarHBondContact O-N 2.88Å
70	Y	70.3	Confident	75.2	Confident	206 Å²	206	87.7 Å²	87.7	81%	0.808	46%	0.461	S	S	*	.	H	α-helix	trans	-87.3	-24.4	-179.3	-74.4	-72.6	0	0	0	113.4	N66 Y67 A68	N66-Y70 WeakPolarHBondContact O-CD2 3.44Å; N66-Y70 PolarHBondContact O-N 2.82Å; Y67-Y70 PolarHBondContact O-N 3.13Å; A68-Y70 VanDerWaalsContact C-N 3.34Å; A68-Y70 PolarHBondContact O-N 3.07Å
71	V	72.3	Confident	75.3	Confident	15 Å²	15	86.7 Å²	86.7	9%	0.091	45%	0.453	C	S	.	.	H	α-helix	trans	-99.5	-29.4	-165.8	174.7	0	0	0	0	111.2	Y67 K74 F79	Y67-V71 HydrophobicContact CD1-CB 4.3Å; Y67-V71 HydrophobicContact CD1-CG1 4.44Å; Y67-V71 HydrophobicContact CD1-CG2 3.82Å; Y67-V71 HydrophobicContact CD2-CG2 3.85Å; Y67-V71 HydrophobicContact CE1-CB 4.08Å; Y67-V71 HydrophobicContact CE1-CG1 3.79Å; Y67-V71 HydrophobicContact CE1-CG2 3.62Å; Y67-V71 HydrophobicContact CE2-CG2 3.67Å; Y67-V71 HydrophobicContact CG-CG2 3.93Å; Y67-V71 WeakPolarHBondContact O-CB 3.39Å; Y67-V71 WeakPolarHBondContact O-CG2 3.2Å; Y67-V71 PolarHBondContact O-N 2.92Å; V71-K74 CarbonylContact C-O 3.54Å; V71-K74 CarbonylContact O-C 3.58Å; V71-K74 WeakPolarHBondContact O-CA 3.32Å; V71-K74 VanDerWaalsContact O-CB 3.31Å; V71-K74 WeakPolarHBondContact O-CB 3.25Å; V71-K74 PolarHBondContact O-N 2.93Å; V71-K74 VanDerWaalsContact O-O 3.13Å; V71-F79 HydrophobicContact CB-CE2 4.31Å; V71-F79 HydrophobicContact CB-CZ 4.3Å; V71-F79 HydrophobicContact CG1-CD2 4.02Å; V71-F79 HydrophobicContact CG1-CE2 3.2Å; V71-F79 HydrophobicContact CG1-CZ 3.63Å; V71-F79 HydrophobicContact CG2-CZ 4.49Å
72	L	73.2	Confident	75.9	Confident	119 Å²	119	89.7 Å²	89.7	62%	0.623	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	142.9	177.4	-73.4	173.4	0	0	0	112.5	A68	A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 WeakPolarHBondContact O-CD1 3.37Å; A68-L72 VanDerWaalsContact O-CG 3.23Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 3.36Å; A68-L72 VanDerWaalsContact O-N 3.17Å
73	P	75.9	Confident	76.6	Confident	129 Å²	129	90.1 Å²	90.1	84%	0.838	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83	-3.3	12.4	34	-37.1	0	0	0	115.2
74	K	78.6	Confident	77.3	Confident	107 Å²	107	89.8 Å²	89.8	47%	0.465	44%	0.435	S	S	.	.	S	Bend	trans	-71.1	155.8	177.6	-61.8	-177.6	179	-178.8	0	110.7	V71 D78 F79	V71-K74 CarbonylContact C-O 3.54Å; V71-K74 CarbonylContact O-C 3.58Å; V71-K74 WeakPolarHBondContact O-CA 3.32Å; V71-K74 VanDerWaalsContact O-CB 3.31Å; V71-K74 WeakPolarHBondContact O-CB 3.25Å; V71-K74 PolarHBondContact O-N 2.93Å; V71-K74 VanDerWaalsContact O-O 3.13Å; K74-D78 HydrophobicContact CB-CB 4.12Å; K74-F79 HydrophobicContact CB-CE2 3.55Å; K74-F79 HydrophobicContact CB-CZ 3.77Å; K74-F79 HydrophobicContact CD-CE1 4.28Å; K74-F79 HydrophobicContact CD-CE2 4.1Å; K74-F79 HydrophobicContact CD-CZ 3.71Å; K74-F79 HydrophobicContact CG-CZ 4.37Å
75	Q	75.9	Confident	78.2	Confident	95 Å²	95	85.5 Å²	85.5	44%	0.444	42%	0.417	S	S	.	.			trans	-95.9	157.3	173.1	-65.4	-171.5	26.8	0	0	110.4	R77 D78 F79	Q75-R77 HydrophobicContact CB-CG 3.96Å; Q75-R77 PolarHBondContact O-N 3.31Å; Q75-D78 PolarHBondContact N-OD2 3.47Å; Q75-D78 VanDerWaalsContact O-CB 3.29Å; Q75-D78 WeakPolarHBondContact O-CB 3.38Å; Q75-D78 PolarHBondContact O-N 3.31Å; Q75-F79 VanDerWaalsContact O-CD2 3.22Å; Q75-F79 WeakPolarHBondContact O-CD2 3.32Å; Q75-F79 WeakPolarHBondContact O-CE2 3.45Å
76	P	73.6	Confident	78.7	Confident	53 Å²	53	85.9 Å²	85.9	34%	0.344	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-51.8	-32.9	175.8	-17.7	19.5	0	0	0	113.4	V52 Y67 D78 F79	V52-P76 HydrophobicContact CG1-CB 4.16Å; Y67-P76 HydrophobicContact CE1-CB 4.04Å; Y67-P76 HydrophobicContact CE1-CG 3.93Å; P76-D78 PolarHBondContact O-N 2.93Å; P76-F79 PolarHBondContact O-N 3.38Å
77	R	80.7	Confident	78.1	Confident	168 Å²	168	89.9 Å²	89.9	63%	0.634	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-68.4	-15	177.6	74.9	-178.7	77.7	-159.4	-0.5	114.6	Q75 F79	Q75-R77 HydrophobicContact CB-CG 3.96Å; Q75-R77 PolarHBondContact O-N 3.31Å; R77-F79 VanDerWaalsContact C-N 3.27Å
78	D	83.5	Confident	78.6	Confident	88 Å²	88	92 Å²	92	47%	0.471	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-87.1	-3.6	-178.7	-56.9	-28.4	0	0	0	111.9	K74 Q75 P76	K74-D78 HydrophobicContact CB-CB 4.12Å; Q75-D78 PolarHBondContact N-OD2 3.47Å; Q75-D78 VanDerWaalsContact O-CB 3.29Å; Q75-D78 WeakPolarHBondContact O-CB 3.38Å; Q75-D78 PolarHBondContact O-N 3.31Å; P76-D78 PolarHBondContact O-N 2.93Å
79	F	83.6	Confident	79.2	Confident	39 Å²	39	95.3 Å²	95.3	17%	0.171	48%	0.475	C	S	.	.	S	Bend	trans	-103.9	137	177	-61	-96.7	0	0	0	109.1	V71 K74 Q75 P76 R77 E83	V71-F79 HydrophobicContact CB-CE2 4.31Å; V71-F79 HydrophobicContact CB-CZ 4.3Å; V71-F79 HydrophobicContact CG1-CD2 4.02Å; V71-F79 HydrophobicContact CG1-CE2 3.2Å; V71-F79 HydrophobicContact CG1-CZ 3.63Å; V71-F79 HydrophobicContact CG2-CZ 4.49Å; K74-F79 HydrophobicContact CB-CE2 3.55Å; K74-F79 HydrophobicContact CB-CZ 3.77Å; K74-F79 HydrophobicContact CD-CE1 4.28Å; K74-F79 HydrophobicContact CD-CE2 4.1Å; K74-F79 HydrophobicContact CD-CZ 3.71Å; K74-F79 HydrophobicContact CG-CZ 4.37Å; Q75-F79 VanDerWaalsContact O-CD2 3.22Å; Q75-F79 WeakPolarHBondContact O-CD2 3.32Å; Q75-F79 WeakPolarHBondContact O-CE2 3.45Å; P76-F79 PolarHBondContact O-N 3.38Å; R77-F79 VanDerWaalsContact C-N 3.27Å; F79-E83 HydrophobicContact CB-CB 4.45Å; F79-E83 HydrophobicContact CD1-CB 4.34Å
80	T	89.2	Confident	79.5	Confident	56 Å²	56	92.1 Å²	92.1	34%	0.344	47%	0.465	S	S	.	.			trans	-65.8	159.9	163.9	60.6	0	0	0	0	109.8	D48 K82 E83 T84	D48-T80 WeakPolarHBondContact OD2-CA 3.41Å; D48-T80 WeakPolarHBondContact OD2-CB 3.42Å; T80-K82 PolarHBondContact O-N 2.84Å; T80-E83 WeakPolarHBondContact CB-OE2 3.3Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.32Å; T80-E83 PolarHBondContact N-OE2 3.22Å; T80-E83 PolarHBondContact O-N 3.05Å; T80-E83 WeakPolarHBondContact OG1-CB 3.17Å; T80-E83 WeakPolarHBondContact OG1-CG 3.3Å; T80-E83 PolarHBondContact OG1-N 3.3Å; T80-E83 VanDerWaalsContact OG1-N 3.14Å; T80-E83 PolarHBondContact OG1-OE2 2.67Å; T80-T84 PolarHBondContact O-N 3.09Å; T80-T84 PolarHBondContact O-OG1 3.05Å
81	F	88.2	Confident	80	Confident	7 Å²	7	85.4 Å²	85.4	3%	0.031	45%	0.445	C	S	.	.	H	α-helix	trans	-59.2	-38.6	174	179.6	-99.5	0	0	0	110.7	F32 F39 D48 R51 L55 T84 V85	F32-F81 AromaticContact CE2-CZ 3.77Å; F32-F81 HydrophobicContact CE2-CZ 3.77Å; F32-F81 HydrophobicContact CZ-CE1 4.12Å; F32-F81 AromaticContact CZ-CZ 3.76Å; F32-F81 HydrophobicContact CZ-CZ 3.76Å; F39-F81 HydrophobicContact CB-CE1 4.05Å; F39-F81 HydrophobicContact CB-CE2 3.99Å; F39-F81 HydrophobicContact CB-CZ 3.34Å; F39-F81 AromaticContact CD1-CE2 3.59Å; F39-F81 HydrophobicContact CD1-CE2 3.59Å; F39-F81 AromaticContact CD1-CZ 3.84Å; F39-F81 HydrophobicContact CD1-CZ 3.84Å; F39-F81 HydrophobicContact CE1-CE2 4.29Å; F39-F81 AromaticContact CG-CE2 3.93Å; F39-F81 HydrophobicContact CG-CE2 3.93Å; F39-F81 AromaticContact CG-CZ 3.67Å; F39-F81 HydrophobicContact CG-CZ 3.67Å; D48-F81 HydrophobicContact CB-CB 4.4Å; D48-F81 VanDerWaalsContact CG-N 3.35Å; D48-F81 WeakPolarHBondContact OD1-CB 3.31Å; D48-F81 PolarHBondContact OD2-N 2.87Å; R51-F81 HydrophobicContact CB-CB 4.32Å; R51-F81 HydrophobicContact CB-CD2 3.61Å; R51-F81 HydrophobicContact CB-CE2 4.26Å; R51-F81 HydrophobicContact CB-CG 4.14Å; L55-F81 HydrophobicContact CD1-CE2 3.89Å; L55-F81 HydrophobicContact CD1-CZ 4.48Å; F81-T84 WeakPolarHBondContact O-CB 3.3Å; F81-T84 PolarHBondContact O-N 3.05Å; F81-V85 HydrophobicContact CD1-CG2 4.44Å; F81-V85 HydrophobicContact CD2-CG1 4.42Å; F81-V85 HydrophobicContact CE1-CG1 3.95Å; F81-V85 HydrophobicContact CE1-CG2 4.09Å; F81-V85 HydrophobicContact CE2-CG1 3.83Å; F81-V85 HydrophobicContact CZ-CG1 3.55Å; F81-V85 WeakPolarHBondContact O-CG2 3.32Å; F81-V85 PolarHBondContact O-N 2.74Å
82	K	89	Confident	80.5	Confident	149 Å²	149	89.8 Å²	89.8	65%	0.648	47%	0.467	S	S	*	.	H	α-helix	trans	-60.8	-50.9	177.6	-174	-179.8	176.7	-175.6	0	112.2	T80 T84 V85 D86	T80-K82 PolarHBondContact O-N 2.84Å; K82-T84 PolarHBondContact O-N 3.23Å; K82-T84 VanDerWaalsContact O-N 3.15Å; K82-V85 PolarHBondContact O-N 3.28Å; K82-D86 PolarHBondContact O-N 3.19Å
83	E	87.8	Confident	81	Confident	91 Å²	91	87.9 Å²	87.9	43%	0.425	46%	0.456	S	S	.	.	H	α-helix	trans	-60.6	-23.7	177.5	-72.6	164.6	128.7	0	0	112.9	F79 T80	F79-E83 HydrophobicContact CB-CB 4.45Å; F79-E83 HydrophobicContact CD1-CB 4.34Å; T80-E83 WeakPolarHBondContact CB-OE2 3.3Å; T80-E83 WeakPolarHBondContact CG2-OE2 3.32Å; T80-E83 PolarHBondContact N-OE2 3.22Å; T80-E83 PolarHBondContact O-N 3.05Å; T80-E83 WeakPolarHBondContact OG1-CB 3.17Å; T80-E83 WeakPolarHBondContact OG1-CG 3.3Å; T80-E83 PolarHBondContact OG1-N 3.3Å; T80-E83 VanDerWaalsContact OG1-N 3.14Å; T80-E83 PolarHBondContact OG1-OE2 2.67Å
84	T	84.8	Confident	81.4	Confident	20 Å²	20	84.9 Å²	84.9	12%	0.123	43%	0.429	C	S	.	.	H	α-helix	trans	-80	-35	179.9	-56.7	0	0	0	0	112.6	L55 T80 F81 K82	L55-T84 HydrophobicContact CD1-CG2 4.46Å; L55-T84 HydrophobicContact CD2-CG2 4.14Å; T80-T84 PolarHBondContact O-N 3.09Å; T80-T84 PolarHBondContact O-OG1 3.05Å; F81-T84 WeakPolarHBondContact O-CB 3.3Å; F81-T84 PolarHBondContact O-N 3.05Å; K82-T84 PolarHBondContact O-N 3.23Å; K82-T84 VanDerWaalsContact O-N 3.15Å
85	V	85.5	Confident	81.6	Confident	28 Å²	28	83.2 Å²	83.2	17%	0.17	43%	0.426	C	S	.	.	H	α-helix	trans	-99.6	-19.2	-173.8	-56.6	0	0	0	0	113.7	F32 L55 F81 K82	F32-V85 HydrophobicContact CD2-CG1 4.11Å; F32-V85 HydrophobicContact CE1-CB 4.12Å; F32-V85 HydrophobicContact CE1-CG1 4.37Å; F32-V85 HydrophobicContact CE1-CG2 4.34Å; F32-V85 HydrophobicContact CE2-CB 4.1Å; F32-V85 HydrophobicContact CE2-CG1 3.47Å; F32-V85 VanDerWaalsContact CE2-CG1 3.47Å; F32-V85 HydrophobicContact CZ-CB 3.85Å; F32-V85 HydrophobicContact CZ-CG1 3.62Å; F32-V85 HydrophobicContact CZ-CG2 4.11Å; L55-V85 HydrophobicContact CD1-CG1 3.59Å; F81-V85 HydrophobicContact CD1-CG2 4.44Å; F81-V85 HydrophobicContact CD2-CG1 4.42Å; F81-V85 HydrophobicContact CE1-CG1 3.95Å; F81-V85 HydrophobicContact CE1-CG2 4.09Å; F81-V85 HydrophobicContact CE2-CG1 3.83Å; F81-V85 HydrophobicContact CZ-CG1 3.55Å; F81-V85 WeakPolarHBondContact O-CG2 3.32Å; F81-V85 PolarHBondContact O-N 2.74Å; K82-V85 PolarHBondContact O-N 3.28Å
86	D	79.1	Confident	82.1	Confident	115 Å²	115	82.3 Å²	82.3	62%	0.615	43%	0.425	S	S	*	.			trans	-135.8	73.3	-178.6	-171.9	25.2	0	0	0	109.7	K82	K82-D86 PolarHBondContact O-N 3.19Å
87	P	60.1	Low	82.8	Confident	173 Å²	173	84.9 Å²	84.9	100%	1.123	43%	0.432	S	S	*	.			trans	-77.2	0	-174.7	30.2	-34.1	0	0	0	115

Retrieved 87 of 87 residues in 103 ms (Link to these results)

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