A0A077ZHC2_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077ZHC2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 aa.

						>A0A077ZHC2_TRITR|A0A077ZHC2
MSKNPQGLLFDDQSVMDDQIMAQRQQIERDIAEKQPLIGEKLPISCLVAEYDAQQSPSFHNNALNLQKKYAYIRRVRGDGNCFYRAVAFSLCELSMQNPVSLFRLALIN
					

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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	64.2	Low	70.7	Confident	157 Å²	157	98 Å²	98	77%	0.773	53%	0.529	S	S	*	.				0	95.9	0	-81	-170.7	136.9	0	0	107.9	L9 F10 D12	M1-L9 HydrophobicContact CB-CD2 4.41Å; M1-L9 HydrophobicContact CE-CB 4.5Å; M1-F10 CarbonylContact C-O 3.36Å; M1-F10 WeakPolarHBondContact CA-O 3.2Å; M1-D12 PolarHBondContact N-OD2 3.02Å
2	S	71.1	Confident	71.5	Confident	48 Å²	48	95.8 Å²	95.8	34%	0.336	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	157.9	171.9	-71.1	0	0	0	0	110.6	F10 D12	S2-F10 VanDerWaalsContact CB-CZ 3.47Å; S2-F10 PolarHBondContact N-O 2.99Å; S2-F10 VanDerWaalsContact N-O 3.1Å; S2-F10 WeakPolarHBondContact O-CD1 3.34Å; S2-F10 PolarHBondContact O-N 3.48Å; S2-D12 WeakPolarHBondContact CB-OD1 3.38Å; S2-D12 PolarHBondContact N-OD2 3.31Å; S2-D12 VanDerWaalsContact OG-CG 3.24Å; S2-D12 PolarHBondContact OG-OD1 3.32Å; S2-D12 PolarHBondContact OG-OD2 2.9Å; S2-D12 VanDerWaalsContact OG-OD2 3.1Å
3	K	67.9	Low	72.4	Confident	146 Å²	146	98.3 Å²	98.3	64%	0.635	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.3	172.1	-71.9	-175.7	178.5	-176.6	0	109.3	L8 L9 F10	K3-L8 WeakPolarHBondContact CA-O 3.41Å; K3-L9 HydrophobicContact CD-CD2 4.44Å; K3-L9 HydrophobicContact CG-CD2 3.77Å; K3-F10 VanDerWaalsContact C-CE1 3.5Å
4	N	70.3	Confident	73.4	Confident	43 Å²	43	94.8 Å²	94.8	23%	0.23	51%	0.51	C	S	.	.			trans	-76.6	175.2	171.6	78.7	-1.3	0	0	0	110	Q6 G7 L8 F10	N4-Q6 PolarHBondContact ND2-OE1 3.01Å; N4-Q6 PolarHBondContact O-N 2.93Å; N4-Q6 WeakPolarHBondContact OD1-CA 3.35Å; N4-Q6 WeakPolarHBondContact OD1-CB 3.31Å; N4-Q6 PolarHBondContact OD1-N 2.79Å; N4-G7 PolarHBondContact O-N 3.02Å; N4-G7 PolarHBondContact OD1-N 3.19Å; N4-G7 VanDerWaalsContact OD1-N 3.12Å; N4-L8 PolarHBondContact N-O 3.37Å; N4-L8 VanDerWaalsContact N-O 3.08Å; N4-L8 PolarHBondContact OD1-N 3.07Å; N4-L8 VanDerWaalsContact OD1-N 3.09Å; N4-F10 HydrophobicContact CB-CD1 3.84Å; N4-F10 HydrophobicContact CB-CE1 3.67Å; N4-F10 VanDerWaalsContact N-CE1 3.3Å
5	P	73.7	Confident	74.3	Confident	139 Å²	139	91.8 Å²	91.8	90%	0.903	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.9	178.1	-24	33.8	0	0	0	114.8
6	Q	76.9	Confident	75.3	Confident	154 Å²	154	91.8 Å²	91.8	72%	0.72	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	5.6	176.6	-60.7	133.3	-4.1	0	0	112.6	N4 L8	N4-Q6 PolarHBondContact ND2-OE1 3.01Å; N4-Q6 PolarHBondContact O-N 2.93Å; N4-Q6 WeakPolarHBondContact OD1-CA 3.35Å; N4-Q6 WeakPolarHBondContact OD1-CB 3.31Å; N4-Q6 PolarHBondContact OD1-N 2.79Å; Q6-L8 VanDerWaalsContact C-N 3.26Å; Q6-L8 PolarHBondContact O-N 3.41Å
7	G	64.7	Low	76.4	Confident	42 Å²	42	91 Å²	91	43%	0.433	49%	0.489	S	S	.	.			trans	77.1	4	177.7	0	0	0	0	0	115.3	N4	N4-G7 PolarHBondContact O-N 3.02Å; N4-G7 PolarHBondContact OD1-N 3.19Å; N4-G7 VanDerWaalsContact OD1-N 3.12Å
8	L	70.4	Confident	77.4	Confident	112 Å²	112	92.2 Å²	92.2	59%	0.586	50%	0.495	S	S	*	.			trans	-71.3	127.9	174.9	-85.2	148.4	0	0	0	109.8	K3 N4 Q6 F10	K3-L8 WeakPolarHBondContact CA-O 3.41Å; N4-L8 PolarHBondContact N-O 3.37Å; N4-L8 VanDerWaalsContact N-O 3.08Å; N4-L8 PolarHBondContact OD1-N 3.07Å; N4-L8 VanDerWaalsContact OD1-N 3.09Å; Q6-L8 VanDerWaalsContact C-N 3.26Å; Q6-L8 PolarHBondContact O-N 3.41Å; L8-F10 PolarHBondContact O-N 3.28Å
9	L	67.3	Low	78.3	Confident	104 Å²	104	93.3 Å²	93.3	55%	0.545	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.6	172.7	-69.6	168.2	0	0	0	108.5	M1 K3	M1-L9 HydrophobicContact CB-CD2 4.41Å; M1-L9 HydrophobicContact CE-CB 4.5Å; K3-L9 HydrophobicContact CD-CD2 4.44Å; K3-L9 HydrophobicContact CG-CD2 3.77Å
10	F	71.7	Confident	79.2	Confident	59 Å²	59	91.9 Å²	91.9	26%	0.259	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	152	167.6	64.2	-94.6	0	0	0	109.3	M1 S2 K3 N4 L8 D12 V15	M1-F10 CarbonylContact C-O 3.36Å; M1-F10 WeakPolarHBondContact CA-O 3.2Å; S2-F10 VanDerWaalsContact CB-CZ 3.47Å; S2-F10 PolarHBondContact N-O 2.99Å; S2-F10 VanDerWaalsContact N-O 3.1Å; S2-F10 WeakPolarHBondContact O-CD1 3.34Å; S2-F10 PolarHBondContact O-N 3.48Å; K3-F10 VanDerWaalsContact C-CE1 3.5Å; N4-F10 HydrophobicContact CB-CD1 3.84Å; N4-F10 HydrophobicContact CB-CE1 3.67Å; N4-F10 VanDerWaalsContact N-CE1 3.3Å; L8-F10 PolarHBondContact O-N 3.28Å; F10-D12 WeakPolarHBondContact CE2-OD1 3.45Å; F10-V15 HydrophobicContact CB-CG2 4.19Å; F10-V15 HydrophobicContact CD2-CB 4.19Å; F10-V15 HydrophobicContact CD2-CG2 3.28Å; F10-V15 HydrophobicContact CE2-CB 4.34Å; F10-V15 HydrophobicContact CE2-CG2 3.78Å; F10-V15 HydrophobicContact CG-CG2 3.91Å
11	D	79.6	Confident	80.1	Confident	74 Å²	74	92.7 Å²	92.7	40%	0.396	49%	0.491	S	S	.	.			trans	-79.6	124.1	170	-172.2	15.1	0	0	0	108.4	Q13 S14 V15	D11-Q13 PolarHBondContact O-N 3.21Å; D11-Q13 PolarHBondContact OD1-N 3.02Å; D11-S14 PolarHBondContact O-N 3.47Å; D11-S14 PolarHBondContact O-OG 3.27Å; D11-V15 PolarHBondContact O-N 3.21Å; D11-V15 VanDerWaalsContact O-N 3.17Å
12	D	80.6	Confident	81.6	Confident	71 Å²	71	87.6 Å²	87.6	38%	0.38	47%	0.474	S	S	.	.	H	α-helix	trans	-58.9	-32.4	-179.8	-65	-65.5	0	0	0	110.5	M1 S2 F10 M16	M1-D12 PolarHBondContact N-OD2 3.02Å; S2-D12 WeakPolarHBondContact CB-OD1 3.38Å; S2-D12 PolarHBondContact N-OD2 3.31Å; S2-D12 VanDerWaalsContact OG-CG 3.24Å; S2-D12 PolarHBondContact OG-OD1 3.32Å; S2-D12 PolarHBondContact OG-OD2 2.9Å; S2-D12 VanDerWaalsContact OG-OD2 3.1Å; F10-D12 WeakPolarHBondContact CE2-OD1 3.45Å; D12-M16 PolarHBondContact O-N 3.42Å; D12-M16 VanDerWaalsContact O-N 3.11Å
13	Q	83.4	Confident	82.9	Confident	129 Å²	129	91.4 Å²	91.4	60%	0.603	49%	0.487	S	S	*	.	H	α-helix	trans	-67.5	-43.1	175.7	-170.7	174.2	-20.2	0	0	112.2	D11 V15 M16 D17	D11-Q13 PolarHBondContact O-N 3.21Å; D11-Q13 PolarHBondContact OD1-N 3.02Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 3.48Å; Q13-M16 PolarHBondContact O-N 3.39Å; Q13-D17 PolarHBondContact O-N 3.44Å
14	S	85.9	Confident	84.3	Confident	49 Å²	49	91.8 Å²	91.8	34%	0.343	48%	0.484	S	S	.	.	H	α-helix	trans	-64.1	-40	179.2	74.4	0	0	0	0	111.7	D11 M16 D17 D18	D11-S14 PolarHBondContact O-N 3.47Å; D11-S14 PolarHBondContact O-OG 3.27Å; S14-M16 VanDerWaalsContact C-N 3.32Å; S14-M16 PolarHBondContact O-N 3.39Å; S14-D17 PolarHBondContact O-N 3.26Å; S14-D18 VanDerWaalsContact O-CG 3.3Å; S14-D18 PolarHBondContact O-N 3.28Å
15	V	87.1	Confident	85.6	Confident	50 Å²	50	94.3 Å²	94.3	30%	0.303	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-38.6	176.2	173.7	0	0	0	0	111.3	F10 D11 Q13 Q19	F10-V15 HydrophobicContact CB-CG2 4.19Å; F10-V15 HydrophobicContact CD2-CB 4.19Å; F10-V15 HydrophobicContact CD2-CG2 3.28Å; F10-V15 HydrophobicContact CE2-CB 4.34Å; F10-V15 HydrophobicContact CE2-CG2 3.78Å; F10-V15 HydrophobicContact CG-CG2 3.91Å; D11-V15 PolarHBondContact O-N 3.21Å; D11-V15 VanDerWaalsContact O-N 3.17Å; Q13-V15 VanDerWaalsContact C-N 3.33Å; Q13-V15 PolarHBondContact O-N 3.48Å; V15-Q19 WeakPolarHBondContact O-CG 3.26Å; V15-Q19 PolarHBondContact O-N 3.23Å; V15-Q19 VanDerWaalsContact O-N 3.14Å
16	M	89.9	Confident	86.8	Confident	91 Å²	91	91.7 Å²	91.7	45%	0.448	47%	0.47	S	S	.	.	H	α-helix	trans	-66.4	-43.4	176.8	-170.7	77.4	-89.8	0	0	111.7	D12 Q13 S14 D18 Q19 I20	D12-M16 PolarHBondContact O-N 3.42Å; D12-M16 VanDerWaalsContact O-N 3.11Å; Q13-M16 PolarHBondContact O-N 3.39Å; S14-M16 VanDerWaalsContact C-N 3.32Å; S14-M16 PolarHBondContact O-N 3.39Å; M16-D18 VanDerWaalsContact C-N 3.34Å; M16-D18 PolarHBondContact O-N 2.91Å; M16-Q19 HydrophobicContact CE-CB 3.86Å; M16-Q19 PolarHBondContact O-N 2.92Å; M16-I20 HydrophobicContact CE-CG1 4.42Å; M16-I20 HydrophobicContact CG-CD1 4.16Å; M16-I20 WeakPolarHBondContact O-CG1 3.34Å; M16-I20 PolarHBondContact O-N 3.31Å
17	D	94	Very high	87.7	Confident	79 Å²	79	88.5 Å²	88.5	42%	0.422	46%	0.457	S	S	.	.	H	α-helix	trans	-61.1	-42.8	176.9	-73.4	-20.8	0	0	0	111.3	Q13 S14 Q19 I20 M21	Q13-D17 PolarHBondContact O-N 3.44Å; S14-D17 PolarHBondContact O-N 3.26Å; D17-Q19 VanDerWaalsContact C-N 3.32Å; D17-Q19 PolarHBondContact O-N 3.43Å; D17-I20 PolarHBondContact O-N 2.77Å; D17-M21 VanDerWaalsContact O-CG 3.28Å; D17-M21 WeakPolarHBondContact O-CG 3.41Å; D17-M21 PolarHBondContact O-N 2.69Å
18	D	93.8	Very high	89.3	Confident	112 Å²	112	92.2 Å²	92.2	60%	0.599	46%	0.463	S	S	*	.	H	α-helix	trans	-60	-41.6	175.8	-73.4	-23	0	0	0	112	S14 M16 M21 A22	S14-D18 VanDerWaalsContact O-CG 3.3Å; S14-D18 PolarHBondContact O-N 3.28Å; M16-D18 VanDerWaalsContact C-N 3.34Å; M16-D18 PolarHBondContact O-N 2.91Å; D18-M21 PolarHBondContact O-N 3.2Å; D18-A22 WeakPolarHBondContact O-CB 3.12Å; D18-A22 PolarHBondContact O-N 3.46Å
19	Q	95.5	Very high	90.6	Very high	113 Å²	113	92.2 Å²	92.2	53%	0.528	46%	0.456	S	S	.	.	H	α-helix	trans	-66	-40.9	176.5	-71.6	177.1	3.8	0	0	112.2	V15 M16 D17 M21 A22 Q23	V15-Q19 WeakPolarHBondContact O-CG 3.26Å; V15-Q19 PolarHBondContact O-N 3.23Å; V15-Q19 VanDerWaalsContact O-N 3.14Å; M16-Q19 HydrophobicContact CE-CB 3.86Å; M16-Q19 PolarHBondContact O-N 2.92Å; D17-Q19 VanDerWaalsContact C-N 3.32Å; D17-Q19 PolarHBondContact O-N 3.43Å; Q19-M21 VanDerWaalsContact C-N 3.35Å; Q19-A22 PolarHBondContact O-N 3.29Å; Q19-Q23 WeakPolarHBondContact O-CB 3.48Å; Q19-Q23 PolarHBondContact O-N 2.98Å
20	I	96.4	Very high	92.1	Very high	66 Å²	66	90.2 Å²	90.2	34%	0.338	45%	0.445	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175.9	-68.7	165.6	0	0	0	110.3	M16 D17 Q23 R24	M16-I20 HydrophobicContact CE-CG1 4.42Å; M16-I20 HydrophobicContact CG-CD1 4.16Å; M16-I20 WeakPolarHBondContact O-CG1 3.34Å; M16-I20 PolarHBondContact O-N 3.31Å; D17-I20 PolarHBondContact O-N 2.77Å; I20-Q23 PolarHBondContact O-N 2.99Å; I20-R24 WeakPolarHBondContact O-CG 3.22Å; I20-R24 PolarHBondContact O-N 2.72Å
21	M	96.7	Very high	93.3	Very high	108 Å²	108	89.4 Å²	89.4	53%	0.532	44%	0.443	S	S	.	.	H	α-helix	trans	-65.9	-42.4	178.7	-69	-61.5	-83.9	0	0	111.6	D17 D18 Q19 Q23 R24 Q25	D17-M21 VanDerWaalsContact O-CG 3.28Å; D17-M21 WeakPolarHBondContact O-CG 3.41Å; D17-M21 PolarHBondContact O-N 2.69Å; D18-M21 PolarHBondContact O-N 3.2Å; Q19-M21 VanDerWaalsContact C-N 3.35Å; M21-Q23 VanDerWaalsContact C-N 3.34Å; M21-Q23 PolarHBondContact O-N 3.47Å; M21-R24 PolarHBondContact O-N 3.29Å; M21-Q25 WeakPolarHBondContact O-CG 3.32Å; M21-Q25 PolarHBondContact O-N 3.01Å
22	A	97.4	Very high	94.1	Very high	51 Å²	51	87.7 Å²	87.7	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-61.3	-42.1	175	0	0	0	0	0	112	D18 Q19 Q25 Q26	D18-A22 WeakPolarHBondContact O-CB 3.12Å; D18-A22 PolarHBondContact O-N 3.46Å; Q19-A22 PolarHBondContact O-N 3.29Å; A22-Q25 PolarHBondContact O-N 2.84Å; A22-Q26 PolarHBondContact O-N 3.4Å
23	Q	97.7	Very high	95	Very high	127 Å²	127	91.7 Å²	91.7	59%	0.593	46%	0.456	S	S	*	.	H	α-helix	trans	-64.4	-45.3	176.5	-172	-178.2	27.9	0	0	111.8	Q19 I20 M21 Q25 Q26 I27	Q19-Q23 WeakPolarHBondContact O-CB 3.48Å; Q19-Q23 PolarHBondContact O-N 2.98Å; I20-Q23 PolarHBondContact O-N 2.99Å; M21-Q23 VanDerWaalsContact C-N 3.34Å; M21-Q23 PolarHBondContact O-N 3.47Å; Q23-Q25 PolarHBondContact O-N 3Å; Q23-Q26 PolarHBondContact O-N 3.47Å; Q23-I27 HydrophobicContact CG-CD1 4.12Å; Q23-I27 WeakPolarHBondContact O-CG1 3.46Å; Q23-I27 PolarHBondContact O-N 3.31Å
24	R	97.3	Very high	95.6	Very high	154 Å²	154	93.4 Å²	93.4	58%	0.581	46%	0.461	S	S	*	.	H	α-helix	trans	-58.1	-47.5	176.8	-77.4	178.1	170.4	-133.9	0.1	111.6	I20 M21 Q26 I27 E28	I20-R24 WeakPolarHBondContact O-CG 3.22Å; I20-R24 PolarHBondContact O-N 2.72Å; M21-R24 PolarHBondContact O-N 3.29Å; R24-Q26 VanDerWaalsContact C-N 3.29Å; R24-Q26 PolarHBondContact O-N 3.02Å; R24-I27 PolarHBondContact O-N 2.88Å; R24-E28 WeakPolarHBondContact O-CG 3.2Å; R24-E28 PolarHBondContact O-N 3.49Å
25	Q	97.5	Very high	96.1	Very high	97 Å²	97	95 Å²	95	45%	0.453	46%	0.463	S	S	.	.	H	α-helix	trans	-61.4	-37.8	177.2	-72	177.3	3.7	0	0	112.2	M21 A22 Q23 E28 R29	M21-Q25 WeakPolarHBondContact O-CG 3.32Å; M21-Q25 PolarHBondContact O-N 3.01Å; A22-Q25 PolarHBondContact O-N 2.84Å; Q23-Q25 PolarHBondContact O-N 3Å; Q25-E28 PolarHBondContact O-N 3.49Å; Q25-R29 WeakPolarHBondContact O-CB 3.29Å; Q25-R29 WeakPolarHBondContact O-CG 3.23Å; Q25-R29 PolarHBondContact O-N 2.9Å
26	Q	98	Very high	96.6	Very high	84 Å²	84	96.2 Å²	96.2	39%	0.393	47%	0.472	S	S	.	.	H	α-helix	trans	-65.3	-44.8	176.1	-171.2	59.7	46.8	0	0	111.6	A22 Q23 R24 E28 R29 D30	A22-Q26 PolarHBondContact O-N 3.4Å; Q23-Q26 PolarHBondContact O-N 3.47Å; R24-Q26 VanDerWaalsContact C-N 3.29Å; R24-Q26 PolarHBondContact O-N 3.02Å; Q26-E28 VanDerWaalsContact C-N 3.33Å; Q26-E28 PolarHBondContact O-N 3.27Å; Q26-R29 PolarHBondContact O-N 2.98Å; Q26-D30 PolarHBondContact NE2-OD1 2.79Å; Q26-D30 VanDerWaalsContact O-CG 3.27Å; Q26-D30 PolarHBondContact O-N 2.78Å
27	I	97.5	Very high	97	Very high	86 Å²	86	95.6 Å²	95.6	44%	0.441	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-44.7	176.2	-67	166.2	0	0	0	110.7	Q23 R24 R29 D30 I31	Q23-I27 HydrophobicContact CG-CD1 4.12Å; Q23-I27 WeakPolarHBondContact O-CG1 3.46Å; Q23-I27 PolarHBondContact O-N 3.31Å; R24-I27 PolarHBondContact O-N 2.88Å; I27-R29 VanDerWaalsContact C-N 3.34Å; I27-R29 PolarHBondContact O-N 3.2Å; I27-D30 PolarHBondContact O-N 2.78Å; I27-I31 HydrophobicContact CG2-CD1 3.75Å; I27-I31 HydrophobicContact CG2-CG1 4.44Å; I27-I31 VanDerWaalsContact O-CG1 3.28Å; I27-I31 WeakPolarHBondContact O-CG1 3.32Å; I27-I31 PolarHBondContact O-N 3.29Å
28	E	97.4	Very high	97.3	Very high	121 Å²	121	93.8 Å²	93.8	57%	0.565	46%	0.46	S	S	*	.	H	α-helix	trans	-61.5	-41.2	177.6	-74.5	174.4	-176.6	0	0	112.1	R24 Q25 Q26 A32	R24-E28 WeakPolarHBondContact O-CG 3.2Å; R24-E28 PolarHBondContact O-N 3.49Å; Q25-E28 PolarHBondContact O-N 3.49Å; Q26-E28 VanDerWaalsContact C-N 3.33Å; Q26-E28 PolarHBondContact O-N 3.27Å; E28-A32 WeakPolarHBondContact O-CB 3.47Å; E28-A32 PolarHBondContact O-N 3.35Å
29	R	97.7	Very high	97.4	Very high	112 Å²	112	89 Å²	89	42%	0.423	44%	0.437	S	S	.	.	H	α-helix	trans	-61.8	-50.3	174.3	-76.5	-171.7	-66.1	-101.2	4.6	111.4	Q25 Q26 I27 I31 A32 E33	Q25-R29 WeakPolarHBondContact O-CB 3.29Å; Q25-R29 WeakPolarHBondContact O-CG 3.23Å; Q25-R29 PolarHBondContact O-N 2.9Å; Q26-R29 PolarHBondContact O-N 2.98Å; I27-R29 VanDerWaalsContact C-N 3.34Å; I27-R29 PolarHBondContact O-N 3.2Å; R29-I31 VanDerWaalsContact C-N 3.28Å; R29-I31 PolarHBondContact O-N 3.16Å; R29-A32 PolarHBondContact O-N 3.12Å; R29-E33 WeakPolarHBondContact O-CG 3.21Å; R29-E33 PolarHBondContact O-N 3.04Å
30	D	97.9	Very high	97.5	Very high	61 Å²	61	90.5 Å²	90.5	33%	0.326	44%	0.444	S	S	.	.	H	α-helix	trans	-60.5	-38.4	-179.2	-67.9	0.5	0	0	0	112	Q26 I27 K34	Q26-D30 PolarHBondContact NE2-OD1 2.79Å; Q26-D30 VanDerWaalsContact O-CG 3.27Å; Q26-D30 PolarHBondContact O-N 2.78Å; I27-D30 PolarHBondContact O-N 2.78Å; D30-K34 WeakPolarHBondContact O-CG 3.23Å; D30-K34 PolarHBondContact O-N 3.21Å
31	I	97.7	Very high	97.5	Very high	43 Å²	43	92.9 Å²	92.9	22%	0.221	45%	0.452	C	S	.	.	H	α-helix	trans	-68	-43.6	174.1	-68.8	169	0	0	0	110.2	I27 R29 E33 K34 Q35 R77	I27-I31 HydrophobicContact CG2-CD1 3.75Å; I27-I31 HydrophobicContact CG2-CG1 4.44Å; I27-I31 VanDerWaalsContact O-CG1 3.28Å; I27-I31 WeakPolarHBondContact O-CG1 3.32Å; I27-I31 PolarHBondContact O-N 3.29Å; R29-I31 VanDerWaalsContact C-N 3.28Å; R29-I31 PolarHBondContact O-N 3.16Å; I31-E33 VanDerWaalsContact C-N 3.32Å; I31-E33 PolarHBondContact O-N 2.82Å; I31-K34 PolarHBondContact O-N 2.97Å; I31-Q35 WeakPolarHBondContact O-CB 3.26Å; I31-Q35 PolarHBondContact O-N 2.95Å; I31-R77 HydrophobicContact CG2-CG 3.57Å
32	A	97.4	Very high	97.6	Very high	38 Å²	38	90.9 Å²	90.9	31%	0.314	44%	0.443	S	S	.	.	H	α-helix	trans	-65.6	-33.8	-177.4	0	0	0	0	0	113.3	E28 R29 R77	E28-A32 WeakPolarHBondContact O-CB 3.47Å; E28-A32 PolarHBondContact O-N 3.35Å; R29-A32 PolarHBondContact O-N 3.12Å; A32-R77 VanDerWaalsContact CA-CZ 3.48Å; A32-R77 PolarHBondContact O-NH2 3.38Å; A32-R77 VanDerWaalsContact O-NH2 3.11Å
33	E	97.8	Very high	97.6	Very high	154 Å²	154	91.8 Å²	91.8	72%	0.72	45%	0.445	S	S	*	.	H	α-helix	trans	-68.3	-35.4	175.2	-73.8	176.1	-176	0	0	112.5	R29 I31	R29-E33 WeakPolarHBondContact O-CG 3.21Å; R29-E33 PolarHBondContact O-N 3.04Å; I31-E33 VanDerWaalsContact C-N 3.32Å; I31-E33 PolarHBondContact O-N 2.82Å
34	K	96.7	Very high	97.7	Very high	165 Å²	165	86.3 Å²	86.3	72%	0.717	42%	0.419	S	S	*	.	H	α-helix	trans	-92.3	-26.6	-174.8	-66.7	172.4	-173.5	168.7	0	113.9	D30 I31	D30-K34 WeakPolarHBondContact O-CG 3.23Å; D30-K34 PolarHBondContact O-N 3.21Å; I31-K34 PolarHBondContact O-N 2.97Å
35	Q	96.9	Very high	97.7	Very high	82 Å²	82	81.8 Å²	81.8	38%	0.383	41%	0.412	S	S	.	.	S	Bend	trans	-127.3	121.5	-171	-60.1	179.3	15.7	0	0	110.4	I31 R77 G78	I31-Q35 WeakPolarHBondContact O-CB 3.26Å; I31-Q35 PolarHBondContact O-N 2.95Å; Q35-R77 HydrophobicContact CB-CB 4.39Å; Q35-R77 HydrophobicContact CB-CG 4.11Å; Q35-R77 PolarHBondContact O-NE 3.22Å; Q35-R77 PolarHBondContact O-NH2 3.2Å; Q35-G78 VanDerWaalsContact OE1-N 3.15Å
36	P	98.2	Very high	97.7	Very high	77 Å²	77	79.4 Å²	79.4	50%	0.5	41%	0.405	S	S	.	.			trans	-66	156.5	170	30.7	-35.8	0	0	0	110.2	I38 R77	P36-I38 PolarHBondContact O-N 3.29Å; P36-R77 WeakPolarHBondContact O-CB 3.35Å
37	L	98.4	Very high	97.7	Very high	78 Å²	78	76.2 Å²	76.2	41%	0.408	39%	0.391	S	S	.	.	S	Bend	trans	-53.2	-46	175.9	-69.4	175.7	0	0	0	111.3	R77 R85	L37-R77 PolarHBondContact O-N 2.91Å; L37-R85 VanDerWaalsContact O-CD 3.23Å; L37-R85 WeakPolarHBondContact O-CD 3.39Å
38	I	98.3	Very high	97.7	Very high	40 Å²	40	73 Å²	73	21%	0.205	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.2	173.4	-63.6	-64.3	0	0	0	107	P36 R74 V76 R85 F89	P36-I38 PolarHBondContact O-N 3.29Å; I38-R74 HydrophobicContact CG2-CG 4.06Å; I38-V76 HydrophobicContact CD1-CG1 4.18Å; I38-V76 HydrophobicContact CD1-CG2 3.81Å; I38-R85 HydrophobicContact CD1-CG 3.8Å; I38-R85 HydrophobicContact CG1-CG 4.31Å; I38-F89 HydrophobicContact CB-CD2 4.43Å; I38-F89 HydrophobicContact CB-CE2 4.48Å; I38-F89 HydrophobicContact CD1-CB 3.96Å; I38-F89 HydrophobicContact CD1-CD2 4.26Å; I38-F89 HydrophobicContact CD1-CG 4.03Å; I38-F89 HydrophobicContact CG1-CB 4.46Å; I38-F89 HydrophobicContact CG1-CD2 3.89Å; I38-F89 HydrophobicContact CG1-CE2 4.4Å; I38-F89 HydrophobicContact CG1-CG 4.18Å; I38-F89 HydrophobicContact CG2-CD1 4.18Å; I38-F89 HydrophobicContact CG2-CD2 3.97Å; I38-F89 HydrophobicContact CG2-CE1 4Å; I38-F89 HydrophobicContact CG2-CE2 3.8Å; I38-F89 HydrophobicContact CG2-CG 4.16Å; I38-F89 HydrophobicContact CG2-CZ 3.82Å
39	G	97.7	Very high	97.7	Very high	11 Å²	11	71.4 Å²	71.4	11%	0.113	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	178.4	176.6	0	0	0	0	0	112.7	R74 R75	G39-R74 WeakPolarHBondContact O-CD 3.37Å; G39-R74 WeakPolarHBondContact O-CG 3.28Å; G39-R74 PolarHBondContact O-NH1 2.92Å; G39-R75 PolarHBondContact N-O 3.22Å
40	E	97.1	Very high	97.7	Very high	145 Å²	145	71.1 Å²	71.1	68%	0.678	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	162.1	176.2	-62.9	-173.3	154	0	0	112.5	L42	E40-L42 HydrophobicContact CB-CD2 4.18Å; E40-L42 HydrophobicContact CB-CG 4.43Å; E40-L42 PolarHBondContact O-N 2.99Å
41	K	97	Very high	97.7	Very high	116 Å²	116	71.3 Å²	71.3	50%	0.504	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	100.8	171.9	-174.7	175.8	-178.7	176.9	0	108.1	Y72	K41-Y72 HydrophobicContact CD-CD1 4.44Å; K41-Y72 HydrophobicContact CD-CG 4.27Å; K41-Y72 VanDerWaalsContact CE-CG 3.4Å; K41-Y72 HydrophobicContact CG-CD1 3.98Å; K41-Y72 HydrophobicContact CG-CG 4Å
42	L	97.9	Very high	97.7	Very high	67 Å²	67	73 Å²	73	35%	0.351	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	153.7	-176.8	-61.2	176.9	0	0	0	110.9	E40 Y72 I73	E40-L42 HydrophobicContact CB-CD2 4.18Å; E40-L42 HydrophobicContact CB-CG 4.43Å; E40-L42 PolarHBondContact O-N 2.99Å; L42-Y72 CarbonylContact O-C 3.5Å; L42-Y72 WeakPolarHBondContact O-CA 3.45Å; L42-Y72 WeakPolarHBondContact O-CB 3.49Å; L42-I73 HydrophobicContact CB-CG2 4.41Å; L42-I73 PolarHBondContact N-O 3.3Å; L42-I73 PolarHBondContact O-N 2.96Å
43	P	98.3	Very high	97.7	Very high	70 Å²	70	73.8 Å²	73.8	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	138.5	167.9	-20.4	32.6	0	0	0	110.5	S45 C46	P43-S45 PolarHBondContact O-N 3.47Å; P43-C46 PolarHBondContact O-N 3.31Å; P43-C46 VanDerWaalsContact O-N 3.16Å; P43-C46 PolarHBondContact O-SG 3.46Å
44	I	97.9	Very high	97.7	Very high	11 Å²	11	75 Å²	75	6%	0.056	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.7	-178.4	-163	160.6	0	0	0	113.5	C46 L47 L66 Q67 Y70 A71	I44-C46 PolarHBondContact O-N 3.02Å; I44-C46 VanDerWaalsContact O-N 3.12Å; I44-L47 HydrophobicContact CG1-CB 4.4Å; I44-L47 HydrophobicContact CG1-CD2 4.46Å; I44-L47 VanDerWaalsContact O-CB 3.28Å; I44-L47 WeakPolarHBondContact O-CB 3.4Å; I44-L47 PolarHBondContact O-N 3.26Å; I44-L66 HydrophobicContact CD1-CB 4.07Å; I44-Q67 HydrophobicContact CG2-CB 3.88Å; I44-Q67 HydrophobicContact CG2-CG 3.73Å; I44-Y70 HydrophobicContact CD1-CD2 4.48Å; I44-Y70 WeakPolarHBondContact CG2-O 3.42Å; I44-A71 PolarHBondContact N-O 3.42Å
45	S	97.5	Very high	97.8	Very high	60 Å²	60	75.5 Å²	75.5	42%	0.42	41%	0.409	S	S	.	.	H	α-helix	trans	-56.5	-25.8	175.1	52.8	0	0	0	0	112.6	P43 L47 V48 A49	P43-S45 PolarHBondContact O-N 3.47Å; S45-L47 PolarHBondContact O-N 3.43Å; S45-V48 PolarHBondContact O-N 3.11Å; S45-V48 VanDerWaalsContact O-N 3.13Å; S45-A49 PolarHBondContact O-N 3.5Å
46	C	97.9	Very high	97.8	Very high	46 Å²	46	72.9 Å²	72.9	31%	0.311	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-30.2	173.8	74.2	0	0	0	0	112.6	P43 I44 A49 E50	P43-C46 PolarHBondContact O-N 3.31Å; P43-C46 VanDerWaalsContact O-N 3.16Å; P43-C46 PolarHBondContact O-SG 3.46Å; I44-C46 PolarHBondContact O-N 3.02Å; I44-C46 VanDerWaalsContact O-N 3.12Å; C46-A49 PolarHBondContact O-N 3.05Å; C46-E50 PolarHBondContact O-N 2.91Å
47	L	97.7	Very high	97.8	Very high	18 Å²	18	72 Å²	72	9%	0.094	39%	0.394	C	S	.	.	H	α-helix	trans	-71.6	-36.1	175.6	-176.8	68.4	0	0	0	111.5	I44 S45 A49 E50 Y51 A63 L66 I73	I44-L47 HydrophobicContact CG1-CB 4.4Å; I44-L47 HydrophobicContact CG1-CD2 4.46Å; I44-L47 VanDerWaalsContact O-CB 3.28Å; I44-L47 WeakPolarHBondContact O-CB 3.4Å; I44-L47 PolarHBondContact O-N 3.26Å; S45-L47 PolarHBondContact O-N 3.43Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-E50 WeakPolarHBondContact O-CB 3.2Å; L47-E50 PolarHBondContact O-N 3.13Å; L47-Y51 HydrophobicContact CD1-CE2 3.84Å; L47-Y51 HydrophobicContact CG-CE2 4.39Å; L47-Y51 VanDerWaalsContact O-CD2 3.32Å; L47-Y51 WeakPolarHBondContact O-CD2 3.49Å; L47-A63 HydrophobicContact CD2-CB 4.27Å; L47-A63 HydrophobicContact CG-CB 3.99Å; L47-L66 HydrophobicContact CD2-CD1 3.95Å; L47-I73 HydrophobicContact CD2-CD1 4.4Å
48	V	97.9	Very high	97.8	Very high	18 Å²	18	72.2 Å²	72.2	11%	0.109	40%	0.402	C	S	.	.	H	α-helix	trans	-65.9	-41.7	174.8	-179.1	0	0	0	0	110.1	S45 E50 Y51 H60 A63 L64 Q67	S45-V48 PolarHBondContact O-N 3.11Å; S45-V48 VanDerWaalsContact O-N 3.13Å; V48-E50 PolarHBondContact O-N 3.3Å; V48-Y51 PolarHBondContact O-N 3.23Å; V48-H60 VanDerWaalsContact CG1-CE1 3.49Å; V48-H60 WeakPolarHBondContact CG1-CE1 3.32Å; V48-H60 PolarHBondContact O-ND1 2.92Å; V48-A63 HydrophobicContact CB-CB 4.39Å; V48-A63 HydrophobicContact CG2-CB 3.89Å; V48-L64 HydrophobicContact CG1-CD2 3.75Å; V48-L64 HydrophobicContact CG1-CG 4.14Å; V48-L64 HydrophobicContact CG2-CD2 4.23Å; V48-Q67 HydrophobicContact CG2-CB 4.36Å
49	A	97.7	Very high	97.8	Very high	88 Å²	88	76.2 Å²	76.2	73%	0.727	42%	0.418	S	S	*	.	H	α-helix	trans	-68.4	-18.9	179.5	0	0	0	0	0	113.9	S45 C46 L47 Y51	S45-A49 PolarHBondContact O-N 3.5Å; C46-A49 PolarHBondContact O-N 3.05Å; L47-A49 VanDerWaalsContact C-N 3.33Å; A49-Y51 VanDerWaalsContact C-N 3.35Å
50	E	97.2	Very high	97.9	Very high	106 Å²	106	77.5 Å²	77.5	50%	0.495	42%	0.421	S	S	.	.	H	α-helix	trans	-73.9	-26.3	178.1	-171.2	177.1	172.2	0	0	112.6	C46 L47 V48 R75	C46-E50 PolarHBondContact O-N 2.91Å; L47-E50 WeakPolarHBondContact O-CB 3.2Å; L47-E50 PolarHBondContact O-N 3.13Å; V48-E50 PolarHBondContact O-N 3.3Å; E50-R75 IonicContact OE2-CZ 3.5Å; E50-R75 IonicContact OE2-NH1 3.63Å; E50-R75 IonicContact OE2-NH2 2.63Å; E50-R75 PolarHBondContact OE2-NH2 2.91Å
51	Y	98.1	Very high	97.9	Very high	65 Å²	65	74.6 Å²	74.6	26%	0.255	41%	0.41	S	S	.	.	S	Bend	trans	-111	115.9	-176.6	-63.1	-66.9	0	0	0	110.8	L47 V48 A49 S56 F59 H60 A63	L47-Y51 HydrophobicContact CD1-CE2 3.84Å; L47-Y51 HydrophobicContact CG-CE2 4.39Å; L47-Y51 VanDerWaalsContact O-CD2 3.32Å; L47-Y51 WeakPolarHBondContact O-CD2 3.49Å; V48-Y51 PolarHBondContact O-N 3.23Å; A49-Y51 VanDerWaalsContact C-N 3.35Å; Y51-S56 WeakPolarHBondContact CA-OG 3.49Å; Y51-S56 WeakPolarHBondContact CB-OG 3.45Å; Y51-F59 HydrophobicContact CD1-CB 3.47Å; Y51-F59 VanDerWaalsContact CD1-CB 3.47Å; Y51-F59 HydrophobicContact CD1-CG 4.11Å; Y51-F59 HydrophobicContact CD2-CB 3.95Å; Y51-F59 HydrophobicContact CE1-CB 3.8Å; Y51-F59 HydrophobicContact CE1-CD1 4.25Å; Y51-F59 AromaticContact CE1-CG 3.99Å; Y51-F59 HydrophobicContact CE1-CG 3.99Å; Y51-F59 HydrophobicContact CE2-CB 4.23Å; Y51-F59 HydrophobicContact CG-CB 3.56Å; Y51-H60 PolarHBondContact O-ND1 2.89Å; Y51-A63 HydrophobicContact CD2-CB 4.37Å
52	D	97.8	Very high	98	Very high	79 Å²	79	73.5 Å²	73.5	42%	0.422	41%	0.41	S	S	.	.			trans	-66.1	136.1	174.7	179.7	-91.1	0	0	0	110.9	Q54 Q55 S56	D52-Q54 VanDerWaalsContact C-N 3.27Å; D52-Q54 PolarHBondContact O-N 3.37Å; D52-Q54 WeakPolarHBondContact OD1-CA 3.28Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.5Å; D52-Q54 PolarHBondContact OD1-N 3.28Å; D52-Q55 HydrophobicContact CB-CB 4.1Å; D52-Q55 HydrophobicContact CB-CG 4.32Å; D52-Q55 WeakPolarHBondContact OD1-CG 3.42Å; D52-Q55 PolarHBondContact OD1-N 3.49Å; D52-S56 PolarHBondContact N-OG 3.42Å; D52-S56 VanDerWaalsContact N-OG 3.14Å; D52-S56 CarbonylContact O-C 3.53Å; D52-S56 WeakPolarHBondContact O-CA 3.41Å; D52-S56 PolarHBondContact O-N 2.93Å; D52-S56 PolarHBondContact O-OG 3.05Å
53	A	97.8	Very high	98	Very high	54 Å²	54	70.4 Å²	70.4	45%	0.446	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-25.5	-174.5	0	0	0	0	0	113.3	P57	A53-P57 WeakPolarHBondContact O-CB 3.3Å
54	Q	97.8	Very high	98	Very high	179 Å²	179	69.7 Å²	69.7	84%	0.836	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-43.7	179.6	-61.4	-174.2	-3	0	0	111.8	D52 P57	D52-Q54 VanDerWaalsContact C-N 3.27Å; D52-Q54 PolarHBondContact O-N 3.37Å; D52-Q54 WeakPolarHBondContact OD1-CA 3.28Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.5Å; D52-Q54 PolarHBondContact OD1-N 3.28Å; Q54-P57 WeakPolarHBondContact O-CD 3.48Å
55	Q	98.2	Very high	98	Very high	176 Å²	176	73.2 Å²	73.2	82%	0.822	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-29.8	-178.1	-59	-178	4.1	0	0	112.5	D52	D52-Q55 HydrophobicContact CB-CB 4.1Å; D52-Q55 HydrophobicContact CB-CG 4.32Å; D52-Q55 WeakPolarHBondContact OD1-CG 3.42Å; D52-Q55 PolarHBondContact OD1-N 3.49Å
56	S	98	Very high	98.1	Very high	26 Å²	26	73.9 Å²	73.9	18%	0.182	40%	0.404	C	S	.	.	S	Bend	trans	-138.2	53.7	-175	59.3	0	0	0	0	113.3	Y51 D52 S58 F59 H60	Y51-S56 WeakPolarHBondContact CA-OG 3.49Å; Y51-S56 WeakPolarHBondContact CB-OG 3.45Å; D52-S56 PolarHBondContact N-OG 3.42Å; D52-S56 VanDerWaalsContact N-OG 3.14Å; D52-S56 CarbonylContact O-C 3.53Å; D52-S56 WeakPolarHBondContact O-CA 3.41Å; D52-S56 PolarHBondContact O-N 2.93Å; D52-S56 PolarHBondContact O-OG 3.05Å; S56-S58 VanDerWaalsContact C-N 3.29Å; S56-S58 PolarHBondContact O-N 3.45Å; S56-S58 VanDerWaalsContact O-N 3.17Å; S56-F59 PolarHBondContact O-N 2.96Å; S56-F59 VanDerWaalsContact O-N 3.11Å; S56-H60 PolarHBondContact O-N 3.22Å
57	P	98	Very high	98	Very high	59 Å²	59	75.6 Å²	75.6	38%	0.383	41%	0.407	S	S	.	.	H	α-helix	trans	-58.2	-37.4	-170.2	22.3	-33.8	0	0	0	113.3	A53 Q54 N61	A53-P57 WeakPolarHBondContact O-CB 3.3Å; Q54-P57 WeakPolarHBondContact O-CD 3.48Å; P57-N61 VanDerWaalsContact O-CB 3.26Å; P57-N61 WeakPolarHBondContact O-CB 3.45Å; P57-N61 VanDerWaalsContact O-CG 3.24Å; P57-N61 PolarHBondContact O-N 2.9Å; P57-N61 PolarHBondContact O-ND2 3.07Å; P57-N61 VanDerWaalsContact O-ND2 3.08Å
58	S	98.3	Very high	98.1	Very high	83 Å²	83	82.6 Å²	82.6	58%	0.58	44%	0.437	S	S	*	.	H	α-helix	trans	-64.5	-45	178.8	-56.5	0	0	0	0	112.3	S56 N62	S56-S58 VanDerWaalsContact C-N 3.29Å; S56-S58 PolarHBondContact O-N 3.45Å; S56-S58 VanDerWaalsContact O-N 3.17Å; S58-N62 WeakPolarHBondContact O-CB 3.5Å; S58-N62 PolarHBondContact O-N 3.28Å; S58-N62 PolarHBondContact O-ND2 3.35Å
59	F	98.3	Very high	98.1	Very high	123 Å²	123	89 Å²	89	54%	0.539	46%	0.463	S	S	.	.	H	α-helix	trans	-70.8	-41.1	178	-73.8	-75.8	0	0	0	111.5	Y51 S56 N61 N62 A63	Y51-F59 HydrophobicContact CD1-CB 3.47Å; Y51-F59 VanDerWaalsContact CD1-CB 3.47Å; Y51-F59 HydrophobicContact CD1-CG 4.11Å; Y51-F59 HydrophobicContact CD2-CB 3.95Å; Y51-F59 HydrophobicContact CE1-CB 3.8Å; Y51-F59 HydrophobicContact CE1-CD1 4.25Å; Y51-F59 AromaticContact CE1-CG 3.99Å; Y51-F59 HydrophobicContact CE1-CG 3.99Å; Y51-F59 HydrophobicContact CE2-CB 4.23Å; Y51-F59 HydrophobicContact CG-CB 3.56Å; S56-F59 PolarHBondContact O-N 2.96Å; S56-F59 VanDerWaalsContact O-N 3.11Å; F59-N61 PolarHBondContact O-N 2.88Å; F59-N62 PolarHBondContact O-N 3.32Å; F59-A63 WeakPolarHBondContact O-CB 3.49Å; F59-A63 PolarHBondContact O-N 2.94Å
60	H	98.6	Very high	98.1	Very high	38 Å²	38	90 Å²	90	18%	0.176	45%	0.449	C	S	.	.	H	α-helix	trans	-57.9	-48.8	174.6	-173.4	84.6	0	0	0	111.7	V48 Y51 S56 N62 A63 L64	V48-H60 VanDerWaalsContact CG1-CE1 3.49Å; V48-H60 WeakPolarHBondContact CG1-CE1 3.32Å; V48-H60 PolarHBondContact O-ND1 2.92Å; Y51-H60 PolarHBondContact O-ND1 2.89Å; S56-H60 PolarHBondContact O-N 3.22Å; H60-N62 VanDerWaalsContact C-N 3.34Å; H60-N62 PolarHBondContact O-N 2.78Å; H60-A63 PolarHBondContact O-N 3.34Å; H60-L64 WeakPolarHBondContact O-CG 3.44Å; H60-L64 PolarHBondContact O-N 3.36Å
61	N	98.6	Very high	98.1	Very high	84 Å²	84	88.2 Å²	88.2	45%	0.449	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-37.4	177.5	-75.8	-34.4	0	0	0	112.7	P57 F59 L64 N65	P57-N61 VanDerWaalsContact O-CB 3.26Å; P57-N61 WeakPolarHBondContact O-CB 3.45Å; P57-N61 VanDerWaalsContact O-CG 3.24Å; P57-N61 PolarHBondContact O-N 2.9Å; P57-N61 PolarHBondContact O-ND2 3.07Å; P57-N61 VanDerWaalsContact O-ND2 3.08Å; F59-N61 PolarHBondContact O-N 2.88Å; N61-L64 PolarHBondContact O-N 3.32Å; N61-N65 PolarHBondContact O-N 3.46Å; N61-N65 PolarHBondContact O-ND2 3.09Å
62	N	98.3	Very high	98.1	Very high	93 Å²	93	91.6 Å²	91.6	50%	0.497	47%	0.465	S	S	.	.	H	α-helix	trans	-66	-40.9	174.3	-73.1	-19.4	0	0	0	111.8	S58 F59 H60 N65 L66	S58-N62 WeakPolarHBondContact O-CB 3.5Å; S58-N62 PolarHBondContact O-N 3.28Å; S58-N62 PolarHBondContact O-ND2 3.35Å; F59-N62 PolarHBondContact O-N 3.32Å; H60-N62 VanDerWaalsContact C-N 3.34Å; H60-N62 PolarHBondContact O-N 2.78Å; N62-N65 PolarHBondContact O-N 3.04Å; N62-L66 WeakPolarHBondContact O-CG 3.32Å; N62-L66 PolarHBondContact O-N 3.19Å
63	A	98.3	Very high	98.1	Very high	2 Å²	2	89.7 Å²	89.7	2%	0.017	46%	0.455	C	S	.	.	H	α-helix	trans	-63.1	-41.9	174.8	0	0	0	0	0	111.7	L47 V48 Y51 F59 H60 N65 L66 Q67	L47-A63 HydrophobicContact CD2-CB 4.27Å; L47-A63 HydrophobicContact CG-CB 3.99Å; V48-A63 HydrophobicContact CB-CB 4.39Å; V48-A63 HydrophobicContact CG2-CB 3.89Å; Y51-A63 HydrophobicContact CD2-CB 4.37Å; F59-A63 WeakPolarHBondContact O-CB 3.49Å; F59-A63 PolarHBondContact O-N 2.94Å; H60-A63 PolarHBondContact O-N 3.34Å; A63-N65 VanDerWaalsContact C-N 3.32Å; A63-N65 PolarHBondContact O-N 2.63Å; A63-L66 PolarHBondContact O-N 2.76Å; A63-Q67 WeakPolarHBondContact O-CB 3.39Å; A63-Q67 PolarHBondContact O-N 2.96Å
64	L	98.3	Very high	98.1	Very high	56 Å²	56	90.7 Å²	90.7	29%	0.293	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-40.8	172.6	-74.8	174.9	0	0	0	112	V48 H60 N61 Q67 K68	V48-L64 HydrophobicContact CG1-CD2 3.75Å; V48-L64 HydrophobicContact CG1-CG 4.14Å; V48-L64 HydrophobicContact CG2-CD2 4.23Å; H60-L64 WeakPolarHBondContact O-CG 3.44Å; H60-L64 PolarHBondContact O-N 3.36Å; N61-L64 PolarHBondContact O-N 3.32Å; L64-Q67 PolarHBondContact O-N 3.46Å; L64-K68 PolarHBondContact O-N 3.4Å
65	N	98.3	Very high	98.1	Very high	85 Å²	85	87.2 Å²	87.2	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-67.8	-39.1	176.7	-74.7	-32	0	0	0	112.4	N61 N62 A63 Q67 K68	N61-N65 PolarHBondContact O-N 3.46Å; N61-N65 PolarHBondContact O-ND2 3.09Å; N62-N65 PolarHBondContact O-N 3.04Å; A63-N65 VanDerWaalsContact C-N 3.32Å; A63-N65 PolarHBondContact O-N 2.63Å; N65-Q67 VanDerWaalsContact C-N 3.31Å; N65-Q67 PolarHBondContact O-N 3.45Å; N65-K68 WeakPolarHBondContact O-CB 3.28Å; N65-K68 PolarHBondContact O-N 2.91Å; N65-K68 PolarHBondContact OD1-NZ 3.22Å
66	L	98.1	Very high	98.1	Very high	74 Å²	74	80.6 Å²	80.6	39%	0.387	40%	0.398	S	S	.	.	H	α-helix	trans	-63.6	-38.1	173.8	-73.2	171.6	0	0	0	111.9	I44 L47 N62 A63 K68 K69 Y70	I44-L66 HydrophobicContact CD1-CB 4.07Å; L47-L66 HydrophobicContact CD2-CD1 3.95Å; N62-L66 WeakPolarHBondContact O-CG 3.32Å; N62-L66 PolarHBondContact O-N 3.19Å; A63-L66 PolarHBondContact O-N 2.76Å; L66-K68 PolarHBondContact O-N 3.37Å; L66-K69 PolarHBondContact O-N 3.26Å; L66-Y70 HydrophobicContact CD2-CD2 4.06Å; L66-Y70 HydrophobicContact CD2-CE2 3.82Å; L66-Y70 PolarHBondContact O-N 2.97Å
67	Q	97.8	Very high	98.1	Very high	81 Å²	81	81.5 Å²	81.5	38%	0.379	40%	0.397	S	S	.	.	H	α-helix	trans	-60.7	-27.3	177.7	179.6	177	65.5	0	0	113.2	I44 V48 A63 L64 N65 K69	I44-Q67 HydrophobicContact CG2-CB 3.88Å; I44-Q67 HydrophobicContact CG2-CG 3.73Å; V48-Q67 HydrophobicContact CG2-CB 4.36Å; A63-Q67 WeakPolarHBondContact O-CB 3.39Å; A63-Q67 PolarHBondContact O-N 2.96Å; L64-Q67 PolarHBondContact O-N 3.46Å; N65-Q67 VanDerWaalsContact C-N 3.31Å; N65-Q67 PolarHBondContact O-N 3.45Å; Q67-K69 PolarHBondContact O-N 3.46Å
68	K	98	Very high	98	Very high	165 Å²	165	80.8 Å²	80.8	72%	0.717	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.1	174.1	-62.1	169.1	-173	166.7	0	113	L64 N65 L66	L64-K68 PolarHBondContact O-N 3.4Å; N65-K68 WeakPolarHBondContact O-CB 3.28Å; N65-K68 PolarHBondContact O-N 2.91Å; N65-K68 PolarHBondContact OD1-NZ 3.22Å; L66-K68 PolarHBondContact O-N 3.37Å
69	K	97.8	Very high	98	Very high	153 Å²	153	78.9 Å²	78.9	67%	0.665	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-34.7	-173.2	-175.1	173.5	178.2	-174.6	0	113.5	L66 Q67	L66-K69 PolarHBondContact O-N 3.26Å; Q67-K69 PolarHBondContact O-N 3.46Å
70	Y	98	Very high	97.9	Very high	110 Å²	110	76.3 Å²	76.3	43%	0.431	39%	0.392	S	S	.	.			trans	-122.3	139.7	-173.6	-55.1	-72	0	0	0	110.1	I44 L66	I44-Y70 HydrophobicContact CD1-CD2 4.48Å; I44-Y70 WeakPolarHBondContact CG2-O 3.42Å; L66-Y70 HydrophobicContact CD2-CD2 4.06Å; L66-Y70 HydrophobicContact CD2-CE2 3.82Å; L66-Y70 PolarHBondContact O-N 2.97Å
71	A	97.3	Very high	97.8	Very high	68 Å²	68	78.5 Å²	78.5	56%	0.562	41%	0.405	S	S	*	.	S	Bend	trans	-89.5	-30	178.7	0	0	0	0	0	113	I44	I44-A71 PolarHBondContact N-O 3.42Å
72	Y	98	Very high	97.8	Very high	135 Å²	135	77.1 Å²	77.1	53%	0.529	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	157.1	-171	-58.8	-84.5	0	0	0	111.9	K41 L42	K41-Y72 HydrophobicContact CD-CD1 4.44Å; K41-Y72 HydrophobicContact CD-CG 4.27Å; K41-Y72 VanDerWaalsContact CE-CG 3.4Å; K41-Y72 HydrophobicContact CG-CD1 3.98Å; K41-Y72 HydrophobicContact CG-CG 4Å; L42-Y72 CarbonylContact O-C 3.5Å; L42-Y72 WeakPolarHBondContact O-CA 3.45Å; L42-Y72 WeakPolarHBondContact O-CB 3.49Å
73	I	98	Very high	97.8	Very high	39 Å²	39	79.3 Å²	79.3	20%	0.2	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	146.8	172.2	-172.2	168.4	0	0	0	109.7	L42 L47	L42-I73 HydrophobicContact CB-CG2 4.41Å; L42-I73 PolarHBondContact N-O 3.3Å; L42-I73 PolarHBondContact O-N 2.96Å; L47-I73 HydrophobicContact CD2-CD1 4.4Å
74	R	97.9	Very high	97.7	Very high	75 Å²	75	87 Å²	87	28%	0.283	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.2	170.7	-168	178	-68.4	-91.3	19.7	108.7	I38 G39 F89 E93	I38-R74 HydrophobicContact CG2-CG 4.06Å; G39-R74 WeakPolarHBondContact O-CD 3.37Å; G39-R74 WeakPolarHBondContact O-CG 3.28Å; G39-R74 PolarHBondContact O-NH1 2.92Å; R74-F89 VanDerWaalsContact NE-CE1 3.32Å; R74-E93 IonicContact CZ-OE1 2.82Å; R74-E93 IonicContact NE-OE1 3.59Å; R74-E93 IonicContact NH2-OE1 3.82Å; R74-E93 PolarHBondContact NH2-OE1 3.4Å
75	R	97.5	Very high	97.7	Very high	106 Å²	106	87.4 Å²	87.4	40%	0.4	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	145	178.5	-62.8	-68.3	178.6	145.6	8.1	110	G39 E50	G39-R75 PolarHBondContact N-O 3.22Å; E50-R75 IonicContact OE2-CZ 3.5Å; E50-R75 IonicContact OE2-NH1 3.63Å; E50-R75 IonicContact OE2-NH2 2.63Å; E50-R75 PolarHBondContact OE2-NH2 2.91Å
76	V	98.2	Very high	97.7	Very high	37 Å²	37	85.3 Å²	85.3	22%	0.224	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137	175.8	179.9	0	0	0	0	107.2	I38 G78 C82 R85 A86	I38-V76 HydrophobicContact CD1-CG1 4.18Å; I38-V76 HydrophobicContact CD1-CG2 3.81Å; V76-G78 PolarHBondContact O-N 2.86Å; V76-C82 HydrophobicContact CG1-CB 4.09Å; V76-R85 HydrophobicContact CG1-CB 3.92Å; V76-R85 HydrophobicContact CG1-CG 4.32Å; V76-A86 HydrophobicContact CG2-CB 3.96Å
77	R	98.4	Very high	97.6	Very high	45 Å²	45	84.8 Å²	84.8	17%	0.17	43%	0.428	C	S	.	.			trans	-51.9	131.7	179.6	-175	-177.3	-69	176.2	-5.8	111	I31 A32 Q35 P36 L37 D79 C82	I31-R77 HydrophobicContact CG2-CG 3.57Å; A32-R77 VanDerWaalsContact CA-CZ 3.48Å; A32-R77 PolarHBondContact O-NH2 3.38Å; A32-R77 VanDerWaalsContact O-NH2 3.11Å; Q35-R77 HydrophobicContact CB-CB 4.39Å; Q35-R77 HydrophobicContact CB-CG 4.11Å; Q35-R77 PolarHBondContact O-NE 3.22Å; Q35-R77 PolarHBondContact O-NH2 3.2Å; P36-R77 WeakPolarHBondContact O-CB 3.35Å; L37-R77 PolarHBondContact O-N 2.91Å; R77-D79 VanDerWaalsContact C-N 3.33Å; R77-D79 WeakPolarHBondContact CD-OD2 3.42Å; R77-D79 HydrophobicContact CG-CB 3.94Å; R77-D79 PolarHBondContact O-N 3.42Å; R77-C82 VanDerWaalsContact O-CB 3.3Å; R77-C82 WeakPolarHBondContact O-CB 3.34Å
78	G	97	Very high	97.5	Very high	44 Å²	44	83.4 Å²	83.4	45%	0.454	43%	0.43	S	S	.	.			trans	-80.7	71.7	174.9	0	0	0	0	0	112.6	Q35 V76	Q35-G78 VanDerWaalsContact OE1-N 3.15Å; V76-G78 PolarHBondContact O-N 2.86Å
79	D	96.8	Very high	97.4	Very high	44 Å²	44	78.6 Å²	78.6	24%	0.235	41%	0.41	C	S	.	.	S	Bend	trans	-120.7	24.2	-173.3	64.9	-0.6	0	0	0	114	R77 N81 R85	R77-D79 VanDerWaalsContact C-N 3.33Å; R77-D79 WeakPolarHBondContact CD-OD2 3.42Å; R77-D79 HydrophobicContact CG-CB 3.94Å; R77-D79 PolarHBondContact O-N 3.42Å; D79-N81 PolarHBondContact O-N 3.03Å; D79-N81 VanDerWaalsContact O-N 3.09Å; D79-N81 WeakPolarHBondContact OD1-CB 3.37Å; D79-N81 PolarHBondContact OD1-N 3.25Å; D79-R85 IonicContact OD1-NH2 3.58Å; D79-R85 IonicContact OD2-CZ 2.77Å; D79-R85 IonicContact OD2-NH2 3.55Å; D79-R85 PolarHBondContact OD2-NH2 3.34Å
80	G	95.9	Very high	97.2	Very high	68 Å²	68	74.1 Å²	74.1	70%	0.701	40%	0.398	S	S	*	.	S	Bend	trans	75.8	-14.5	-175.1	0	0	0	0	0	114.7
81	N	97.7	Very high	96.9	Very high	85 Å²	85	72.8 Å²	72.8	46%	0.455	40%	0.397	S	S	.	.			trans	-102.7	5.4	175.3	-63.6	-66.3	0	0	0	112.9	D79 F83 Y84 R85	D79-N81 PolarHBondContact O-N 3.03Å; D79-N81 VanDerWaalsContact O-N 3.09Å; D79-N81 WeakPolarHBondContact OD1-CB 3.37Å; D79-N81 PolarHBondContact OD1-N 3.25Å; N81-F83 VanDerWaalsContact C-N 3.35Å; N81-F83 PolarHBondContact O-N 3.48Å; N81-Y84 PolarHBondContact O-N 3.25Å; N81-R85 WeakPolarHBondContact O-CB 3.49Å; N81-R85 PolarHBondContact O-N 2.89Å
82	C	97.6	Very high	96.6	Very high	54 Å²	54	72.7 Å²	72.7	37%	0.365	39%	0.392	S	S	.	.	H	α-helix	trans	-57.4	-41.2	-170.6	60.9	0	0	0	0	113.6	V76 R77 A86	V76-C82 HydrophobicContact CG1-CB 4.09Å; R77-C82 VanDerWaalsContact O-CB 3.3Å; R77-C82 WeakPolarHBondContact O-CB 3.34Å; C82-A86 VanDerWaalsContact O-CB 3.28Å; C82-A86 WeakPolarHBondContact O-CB 3.44Å; C82-A86 PolarHBondContact O-N 2.78Å
83	F	98	Very high	96.3	Very high	139 Å²	139	68.7 Å²	68.7	61%	0.61	38%	0.378	S	S	*	.	H	α-helix	trans	-62.6	-55.3	178.5	175.3	-98.8	0	0	0	111.6	N81 R85 A86 V87	N81-F83 VanDerWaalsContact C-N 3.35Å; N81-F83 PolarHBondContact O-N 3.48Å; F83-R85 PolarHBondContact O-N 2.81Å; F83-A86 PolarHBondContact O-N 3.14Å; F83-V87 HydrophobicContact CD1-CG2 4.46Å; F83-V87 HydrophobicContact CD2-CG2 4.34Å; F83-V87 HydrophobicContact CE1-CG2 4.07Å; F83-V87 HydrophobicContact CE2-CG2 3.94Å; F83-V87 HydrophobicContact CZ-CG2 3.8Å; F83-V87 WeakPolarHBondContact O-CG2 3.38Å; F83-V87 PolarHBondContact O-N 2.8Å
84	Y	98.2	Very high	95.8	Very high	163 Å²	163	71.4 Å²	71.4	64%	0.639	39%	0.393	S	S	*	.	H	α-helix	trans	-58.2	-41.3	-179.8	-57.1	-74.1	0	0	0	111.4	N81 V87 A88	N81-Y84 PolarHBondContact O-N 3.25Å; Y84-V87 PolarHBondContact O-N 2.95Å; Y84-A88 VanDerWaalsContact O-CB 3.26Å; Y84-A88 WeakPolarHBondContact O-CB 3.4Å; Y84-A88 PolarHBondContact O-N 3.11Å
85	R	98	Very high	95.3	Very high	65 Å²	65	68 Å²	68	25%	0.245	38%	0.381	C	S	.	.	H	α-helix	trans	-67.4	-42.7	179.9	-154.8	-171.5	-55	-70.5	1.7	112.2	L37 I38 V76 D79 N81 F83 F89	L37-R85 VanDerWaalsContact O-CD 3.23Å; L37-R85 WeakPolarHBondContact O-CD 3.39Å; I38-R85 HydrophobicContact CD1-CG 3.8Å; I38-R85 HydrophobicContact CG1-CG 4.31Å; V76-R85 HydrophobicContact CG1-CB 3.92Å; V76-R85 HydrophobicContact CG1-CG 4.32Å; D79-R85 IonicContact OD1-NH2 3.58Å; D79-R85 IonicContact OD2-CZ 2.77Å; D79-R85 IonicContact OD2-NH2 3.55Å; D79-R85 PolarHBondContact OD2-NH2 3.34Å; N81-R85 WeakPolarHBondContact O-CB 3.49Å; N81-R85 PolarHBondContact O-N 2.89Å; F83-R85 PolarHBondContact O-N 2.81Å; R85-F89 VanDerWaalsContact O-CB 3.23Å; R85-F89 WeakPolarHBondContact O-CB 3.41Å; R85-F89 PolarHBondContact O-N 2.91Å
86	A	97.8	Very high	94.8	Very high	42 Å²	42	69.3 Å²	69.3	35%	0.347	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-44.9	176.1	0	0	0	0	0	111.8	V76 C82 F83 S90	V76-A86 HydrophobicContact CG2-CB 3.96Å; C82-A86 VanDerWaalsContact O-CB 3.28Å; C82-A86 WeakPolarHBondContact O-CB 3.44Å; C82-A86 PolarHBondContact O-N 2.78Å; F83-A86 PolarHBondContact O-N 3.14Å; A86-S90 VanDerWaalsContact O-CB 3.29Å; A86-S90 WeakPolarHBondContact O-CB 3.26Å; A86-S90 PolarHBondContact O-N 2.95Å
87	V	96.3	Very high	94.1	Very high	62 Å²	62	74.3 Å²	74.3	38%	0.376	41%	0.414	S	S	.	.	H	α-helix	trans	-63.6	-52.7	178.7	170.9	0	0	0	0	110.7	F83 Y84 F89 S90 L91	F83-V87 HydrophobicContact CD1-CG2 4.46Å; F83-V87 HydrophobicContact CD2-CG2 4.34Å; F83-V87 HydrophobicContact CE1-CG2 4.07Å; F83-V87 HydrophobicContact CE2-CG2 3.94Å; F83-V87 HydrophobicContact CZ-CG2 3.8Å; F83-V87 WeakPolarHBondContact O-CG2 3.38Å; F83-V87 PolarHBondContact O-N 2.8Å; Y84-V87 PolarHBondContact O-N 2.95Å; V87-F89 VanDerWaalsContact C-N 3.34Å; V87-F89 PolarHBondContact O-N 3.49Å; V87-S90 PolarHBondContact O-N 3.46Å; V87-L91 HydrophobicContact CG1-CD1 3.9Å; V87-L91 HydrophobicContact CG1-CG 4.44Å; V87-L91 WeakPolarHBondContact O-CG 3.49Å; V87-L91 PolarHBondContact O-N 3.26Å
88	A	95.5	Very high	93.3	Very high	52 Å²	52	75.9 Å²	75.9	43%	0.43	43%	0.425	S	S	.	.	H	α-helix	trans	-58.4	-46.8	-179.2	0	0	0	0	0	111.5	Y84 S90 L91 C92	Y84-A88 VanDerWaalsContact O-CB 3.26Å; Y84-A88 WeakPolarHBondContact O-CB 3.4Å; Y84-A88 PolarHBondContact O-N 3.11Å; A88-S90 PolarHBondContact O-N 3.36Å; A88-L91 PolarHBondContact O-N 3.17Å; A88-C92 PolarHBondContact O-N 3.08Å; A88-C92 PolarHBondContact O-SG 3.34Å
89	F	95.8	Very high	92.1	Very high	64 Å²	64	78.3 Å²	78.3	28%	0.281	43%	0.433	S	S	.	.	H	α-helix	trans	-64	-43.3	-179.7	-172.1	-91	0	0	0	112.4	I38 R74 R85 V87 L91 C92 E93	I38-F89 HydrophobicContact CB-CD2 4.43Å; I38-F89 HydrophobicContact CB-CE2 4.48Å; I38-F89 HydrophobicContact CD1-CB 3.96Å; I38-F89 HydrophobicContact CD1-CD2 4.26Å; I38-F89 HydrophobicContact CD1-CG 4.03Å; I38-F89 HydrophobicContact CG1-CB 4.46Å; I38-F89 HydrophobicContact CG1-CD2 3.89Å; I38-F89 HydrophobicContact CG1-CE2 4.4Å; I38-F89 HydrophobicContact CG1-CG 4.18Å; I38-F89 HydrophobicContact CG2-CD1 4.18Å; I38-F89 HydrophobicContact CG2-CD2 3.97Å; I38-F89 HydrophobicContact CG2-CE1 4Å; I38-F89 HydrophobicContact CG2-CE2 3.8Å; I38-F89 HydrophobicContact CG2-CG 4.16Å; I38-F89 HydrophobicContact CG2-CZ 3.82Å; R74-F89 VanDerWaalsContact NE-CE1 3.32Å; R85-F89 VanDerWaalsContact O-CB 3.23Å; R85-F89 WeakPolarHBondContact O-CB 3.41Å; R85-F89 PolarHBondContact O-N 2.91Å; V87-F89 VanDerWaalsContact C-N 3.34Å; V87-F89 PolarHBondContact O-N 3.49Å; F89-L91 PolarHBondContact O-N 2.99Å; F89-C92 PolarHBondContact O-N 3.47Å; F89-E93 HydrophobicContact CD1-CG 4.16Å; F89-E93 HydrophobicContact CE1-CG 3.65Å; F89-E93 WeakPolarHBondContact CE1-OE1 3.35Å; F89-E93 HydrophobicContact CZ-CG 4.1Å; F89-E93 PolarHBondContact O-N 2.92Å
90	S	93.3	Very high	91.1	Very high	59 Å²	59	80.2 Å²	80.2	41%	0.413	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-42.6	177	-175.8	0	0	0	0	111.9	A86 V87 A88 C92 E93 L94	A86-S90 VanDerWaalsContact O-CB 3.29Å; A86-S90 WeakPolarHBondContact O-CB 3.26Å; A86-S90 PolarHBondContact O-N 2.95Å; V87-S90 PolarHBondContact O-N 3.46Å; A88-S90 PolarHBondContact O-N 3.36Å; S90-C92 VanDerWaalsContact C-N 3.35Å; S90-C92 PolarHBondContact O-N 2.99Å; S90-E93 PolarHBondContact O-N 2.89Å; S90-L94 WeakPolarHBondContact O-CB 3.28Å; S90-L94 VanDerWaalsContact O-CG 3.32Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 3.23Å
91	L	91.9	Very high	89.8	Confident	82 Å²	82	78.6 Å²	78.6	43%	0.429	42%	0.424	S	S	.	.	H	α-helix	trans	-62	-41.3	175.3	-70.6	174.1	0	0	0	112	V87 A88 F89 S95	V87-L91 HydrophobicContact CG1-CD1 3.9Å; V87-L91 HydrophobicContact CG1-CG 4.44Å; V87-L91 WeakPolarHBondContact O-CG 3.49Å; V87-L91 PolarHBondContact O-N 3.26Å; A88-L91 PolarHBondContact O-N 3.17Å; F89-L91 PolarHBondContact O-N 2.99Å; L91-S95 WeakPolarHBondContact O-CB 3.35Å; L91-S95 PolarHBondContact O-N 3.14Å; L91-S95 PolarHBondContact O-OG 2.98Å
92	C	91.6	Very high	88.3	Confident	67 Å²	67	78.4 Å²	78.4	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-62.4	-47.4	173.4	-68.1	0	0	0	0	111.8	A88 F89 S90 L94 S95 M96	A88-C92 PolarHBondContact O-N 3.08Å; A88-C92 PolarHBondContact O-SG 3.34Å; F89-C92 PolarHBondContact O-N 3.47Å; S90-C92 VanDerWaalsContact C-N 3.35Å; S90-C92 PolarHBondContact O-N 2.99Å; C92-L94 PolarHBondContact O-N 2.91Å; C92-S95 PolarHBondContact O-N 3.4Å; C92-M96 WeakPolarHBondContact O-CG 3.38Å; C92-M96 PolarHBondContact O-N 3.22Å
93	E	91.1	Very high	87	Confident	50 Å²	50	83.1 Å²	83.1	23%	0.234	44%	0.437	C	S	.	.	H	α-helix	trans	-59.2	-45.1	177.3	-82.5	-168.5	153.1	0	0	112.3	R74 F89 S90 S95 M96 Q97	R74-E93 IonicContact CZ-OE1 2.82Å; R74-E93 IonicContact NE-OE1 3.59Å; R74-E93 IonicContact NH2-OE1 3.82Å; R74-E93 PolarHBondContact NH2-OE1 3.4Å; F89-E93 HydrophobicContact CD1-CG 4.16Å; F89-E93 HydrophobicContact CE1-CG 3.65Å; F89-E93 WeakPolarHBondContact CE1-OE1 3.35Å; F89-E93 HydrophobicContact CZ-CG 4.1Å; F89-E93 PolarHBondContact O-N 2.92Å; S90-E93 PolarHBondContact O-N 2.89Å; E93-S95 VanDerWaalsContact C-N 3.28Å; E93-S95 PolarHBondContact O-N 3.43Å; E93-M96 HydrophobicContact CG-CE 4.17Å; E93-M96 PolarHBondContact O-N 3.37Å; E93-Q97 VanDerWaalsContact O-CG 3.31Å; E93-Q97 WeakPolarHBondContact O-CG 3.32Å; E93-Q97 PolarHBondContact O-N 2.92Å; E93-Q97 PolarHBondContact O-NE2 3.47Å
94	L	88	Confident	85.7	Confident	96 Å²	96	85.3 Å²	85.3	50%	0.503	44%	0.442	S	S	.	.	H	α-helix	trans	-63.9	-35.2	177.3	-73	172.7	0	0	0	112.4	S90 C92 N98 S101	S90-L94 WeakPolarHBondContact O-CB 3.28Å; S90-L94 VanDerWaalsContact O-CG 3.32Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 3.23Å; C92-L94 PolarHBondContact O-N 2.91Å; L94-N98 PolarHBondContact O-N 2.95Å; L94-S101 PolarHBondContact O-OG 3.09Å
95	S	86.2	Confident	84.2	Confident	5 Å²	5	81.7 Å²	81.7	4%	0.035	43%	0.433	C	S	.	.	H	α-helix	trans	-69.8	-48	176.8	-54.5	0	0	0	0	110.2	L91 C92 E93 Q97 N98 S101 L102	L91-S95 WeakPolarHBondContact O-CB 3.35Å; L91-S95 PolarHBondContact O-N 3.14Å; L91-S95 PolarHBondContact O-OG 2.98Å; C92-S95 PolarHBondContact O-N 3.4Å; E93-S95 VanDerWaalsContact C-N 3.28Å; E93-S95 PolarHBondContact O-N 3.43Å; S95-Q97 PolarHBondContact O-N 2.98Å; S95-Q97 VanDerWaalsContact O-N 3.07Å; S95-N98 CarbonylContact O-C 3.27Å; S95-N98 VanDerWaalsContact O-C 3.27Å; S95-N98 PolarHBondContact O-N 3.47Å; S95-S101 WeakPolarHBondContact CA-OG 3.44Å; S95-L102 VanDerWaalsContact C-CG 3.44Å; S95-L102 WeakPolarHBondContact O-CD1 3.21Å; S95-L102 WeakPolarHBondContact O-CG 3.41Å
96	M	86.9	Confident	82.8	Confident	132 Å²	132	81.6 Å²	81.6	65%	0.65	45%	0.446	S	S	*	.	H	α-helix	trans	-57.8	-27.7	177.8	-69.9	-174.4	-63.3	0	0	113.8	C92 E93	C92-M96 WeakPolarHBondContact O-CG 3.38Å; C92-M96 PolarHBondContact O-N 3.22Å; E93-M96 HydrophobicContact CG-CE 4.17Å; E93-M96 PolarHBondContact O-N 3.37Å
97	Q	85	Confident	81.4	Confident	142 Å²	142	86 Å²	86	66%	0.664	46%	0.463	S	S	*	.	H	α-helix	trans	-79.6	-18.4	176.9	-69.6	165.8	39.8	0	0	113.7	E93 S95	E93-Q97 VanDerWaalsContact O-CG 3.31Å; E93-Q97 WeakPolarHBondContact O-CG 3.32Å; E93-Q97 PolarHBondContact O-N 2.92Å; E93-Q97 PolarHBondContact O-NE2 3.47Å; S95-Q97 PolarHBondContact O-N 2.98Å; S95-Q97 VanDerWaalsContact O-N 3.07Å
98	N	80.2	Confident	79.9	Confident	78 Å²	78	89.6 Å²	89.6	42%	0.417	48%	0.479	S	S	.	.			trans	-137.2	108.2	-178.5	179.9	-12.5	0	0	0	111	L94 S95 V100 S101 L102	L94-N98 PolarHBondContact O-N 2.95Å; S95-N98 CarbonylContact O-C 3.27Å; S95-N98 VanDerWaalsContact O-C 3.27Å; S95-N98 PolarHBondContact O-N 3.47Å; N98-V100 PolarHBondContact O-N 2.99Å; N98-V100 WeakPolarHBondContact OD1-CB 3.4Å; N98-V100 PolarHBondContact OD1-N 3Å; N98-S101 WeakPolarHBondContact CB-OG 3.36Å; N98-S101 PolarHBondContact O-N 3.35Å; N98-S101 PolarHBondContact O-OG 3.43Å; N98-L102 PolarHBondContact O-N 2.91Å
99	P	72.8	Confident	77.6	Confident	95 Å²	95	97.5 Å²	97.5	62%	0.617	51%	0.514	S	S	*	.	H	α-helix	trans	-54.7	-30.7	-178.5	-25.1	32.9	0	0	0	114.1	F103	P99-F103 PolarHBondContact O-N 3.12Å
100	V	74.4	Confident	76.7	Confident	85 Å²	85	99.2 Å²	99.2	52%	0.515	53%	0.525	S	S	.	.	H	α-helix	trans	-72	-36.9	-179.9	-177.8	0	0	0	0	111.4	N98 F103 R104	N98-V100 PolarHBondContact O-N 2.99Å; N98-V100 WeakPolarHBondContact OD1-CB 3.4Å; N98-V100 PolarHBondContact OD1-N 3Å; V100-F103 PolarHBondContact O-N 2.93Å; V100-R104 PolarHBondContact O-N 3.42Å
101	S	69.3	Low	75.8	Confident	34 Å²	34	101.3 Å²	101.3	24%	0.238	53%	0.531	C	S	.	.	H	α-helix	trans	-72.3	-32.3	177	49.3	0	0	0	0	112	L94 S95 N98 F103 R104 L105	L94-S101 PolarHBondContact O-OG 3.09Å; S95-S101 WeakPolarHBondContact CA-OG 3.44Å; N98-S101 WeakPolarHBondContact CB-OG 3.36Å; N98-S101 PolarHBondContact O-N 3.35Å; N98-S101 PolarHBondContact O-OG 3.43Å; S101-F103 VanDerWaalsContact C-N 3.35Å; S101-F103 PolarHBondContact O-N 3.17Å; S101-R104 PolarHBondContact O-N 3.11Å; S101-L105 PolarHBondContact O-N 3.07Å
102	L	66.7	Low	74.9	Confident	80 Å²	80	102.3 Å²	102.3	42%	0.419	54%	0.537	S	S	.	.	H	α-helix	trans	-56.6	-48.4	169.5	-78.1	164.2	0	0	0	111.8	S95 N98 R104 L105 A106	S95-L102 VanDerWaalsContact C-CG 3.44Å; S95-L102 WeakPolarHBondContact O-CD1 3.21Å; S95-L102 WeakPolarHBondContact O-CG 3.41Å; N98-L102 PolarHBondContact O-N 2.91Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 3.19Å; L102-L105 PolarHBondContact O-N 3.47Å; L102-A106 PolarHBondContact O-N 3.08Å
103	F	69.2	Low	73.9	Confident	153 Å²	153	104.4 Å²	104.4	67%	0.671	54%	0.542	S	S	*	.	H	α-helix	trans	-59.8	-41.5	178.4	-99.6	-78	0	0	0	112.2	P99 V100 S101 L105 A106 L107	P99-F103 PolarHBondContact O-N 3.12Å; V100-F103 PolarHBondContact O-N 2.93Å; S101-F103 VanDerWaalsContact C-N 3.35Å; S101-F103 PolarHBondContact O-N 3.17Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 3.2Å; F103-A106 PolarHBondContact O-N 3.1Å; F103-L107 VanDerWaalsContact O-CG 3.26Å; F103-L107 WeakPolarHBondContact O-CG 3Å; F103-L107 PolarHBondContact O-N 3.24Å
104	R	71.2	Confident	72.8	Confident	186 Å²	186	107.8 Å²	107.8	70%	0.702	56%	0.561	S	S	*	*	H	α-helix	trans	-64.7	-38.1	177.5	-71.1	-178.6	-179	177.2	0.4	112.6	V100 S101 L102 A106 L107	V100-R104 PolarHBondContact O-N 3.42Å; S101-R104 PolarHBondContact O-N 3.11Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 3.19Å; R104-A106 VanDerWaalsContact C-N 3.34Å; R104-L107 PolarHBondContact O-N 2.64Å
105	L	67.1	Low	71.8	Confident	87 Å²	87	108.6 Å²	108.6	46%	0.455	57%	0.565	S	S	.	*	H	α-helix	trans	-69.9	-33.5	178.4	-138	125.6	0	0	0	111.7	S101 L102 F103 L107	S101-L105 PolarHBondContact O-N 3.07Å; L102-L105 PolarHBondContact O-N 3.47Å; F103-L105 VanDerWaalsContact C-N 3.34Å; F103-L105 PolarHBondContact O-N 3.2Å; L105-L107 VanDerWaalsContact C-N 3.31Å; L105-L107 PolarHBondContact O-N 2.89Å
106	A	67.8	Low	70.8	Confident	63 Å²	63	116 Å²	116	52%	0.521	60%	0.603	S	S	.	*	H	α-helix	trans	-71.9	-20.9	177.3	0	0	0	0	0	114.2	L102 F103 R104 N109	L102-A106 PolarHBondContact O-N 3.08Å; F103-A106 PolarHBondContact O-N 3.1Å; R104-A106 VanDerWaalsContact C-N 3.34Å; A106-N109 PolarHBondContact O-ND2 3.28Å
107	L	69.1	Low	69.5	Low	134 Å²	134	114.8 Å²	114.8	70%	0.702	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	8.4	-176.4	-69	172.1	0	0	0	114.3	F103 R104 L105 N109	F103-L107 VanDerWaalsContact O-CG 3.26Å; F103-L107 WeakPolarHBondContact O-CG 3Å; F103-L107 PolarHBondContact O-N 3.24Å; R104-L107 PolarHBondContact O-N 2.64Å; L105-L107 VanDerWaalsContact C-N 3.31Å; L105-L107 PolarHBondContact O-N 2.89Å; L107-N109 PolarHBondContact O-N 3.1Å
108	I	65.3	Low	68.3	Low	138 Å²	138	112.5 Å²	112.5	71%	0.708	59%	0.594	S	S	*	*			trans	-82.1	10.5	178.5	-64	170.5	0	0	0	112.2
109	N	45.9	Very low	67.2	Low	217 Å²	217	115.6 Å²	115.6	100%	1.16	61%	0.61	S	S	*	*			trans	-84.8	0	175.3	-66.5	-55.4	0	0	0	112.4	A106 L107	A106-N109 PolarHBondContact O-ND2 3.28Å; L107-N109 PolarHBondContact O-N 3.1Å

Retrieved 109 of 109 residues in 87 ms (Link to these results)

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