A0A5K4EBJ2_SCHMA Loading...

Enoyl-CoA hydratase domain-containing protein 3, mitochondrial

May play a role in fatty acid biosynthesis and insulin sensitivity.

AlphaFold DB , UniProt , Accession A0A5K4EBJ2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	85.5	Confident	90.2	Very high	97 Å²	97	86.6 Å²	86.6	48%	0.478	44%	0.44	S	S	.	.				0	-43.4	0	-69.9	-36.5	-158.9	0	0	112.6	K3 L4 A5 Q25 L26 A29	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.27Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.03Å; M1-A5 PolarHBondContact O-N 3.39Å; M1-A5 VanDerWaalsContact O-N 3.15Å; M1-Q25 HydrophobicContact CE-CB 3.99Å; M1-Q25 HydrophobicContact CE-CG 3.47Å; M1-Q25 VanDerWaalsContact CE-CG 3.47Å; M1-Q25 VanDerWaalsContact CG-NE2 3.3Å; M1-L26 VanDerWaalsContact CE-CA 3.49Å; M1-L26 HydrophobicContact CE-CB 4.11Å; M1-L26 HydrophobicContact CE-CD1 4.22Å; M1-L26 HydrophobicContact SD-CD1 4.49Å; M1-A29 HydrophobicContact CE-CB 3.95Å; M1-A29 HydrophobicContact SD-CB 4.1Å
2	E	85.9	Confident	90.9	Very high	154 Å²	154	83.6 Å²	83.6	72%	0.72	43%	0.425	S	S	*	.	H	α-helix	trans	-47.8	-50.1	176.2	-66.9	164	-178	0	0	113	L4 A5 E6	E2-L4 PolarHBondContact O-N 3.02Å; E2-L4 VanDerWaalsContact O-N 3.13Å; E2-A5 WeakPolarHBondContact O-CB 3.48Å; E2-A5 PolarHBondContact O-N 3.14Å; E2-E6 WeakPolarHBondContact O-CG 3.42Å; E2-E6 PolarHBondContact O-N 3.07Å
3	K	91.2	Very high	91.5	Very high	180 Å²	180	78.1 Å²	78.1	78%	0.783	40%	0.4	S	S	*	.	H	α-helix	trans	-56	-31.3	176.4	-67.4	-170.3	176.8	-174.9	0	115.2	M1 F7	M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.27Å; K3-F7 PolarHBondContact O-N 2.99Å
4	L	92.1	Very high	92	Very high	39 Å²	39	76.9 Å²	76.9	20%	0.204	40%	0.402	C	S	.	.	H	α-helix	trans	-77.4	-41.4	177.8	-177.1	64.2	0	0	0	110.5	M1 E2 E6 F7 L26 A29 R121	M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.03Å; E2-L4 PolarHBondContact O-N 3.02Å; E2-L4 VanDerWaalsContact O-N 3.13Å; L4-E6 VanDerWaalsContact C-N 3.33Å; L4-E6 PolarHBondContact O-N 3.31Å; L4-F7 VanDerWaalsContact O-CB 3.28Å; L4-F7 WeakPolarHBondContact O-CB 3.48Å; L4-F7 PolarHBondContact O-N 3.47Å; L4-L26 HydrophobicContact CD2-CD1 3.95Å; L4-A29 HydrophobicContact CD2-CB 3.97Å; L4-R121 PolarHBondContact O-NH2 3.18Å
5	A	85.3	Confident	92.4	Very high	52 Å²	52	72.7 Å²	72.7	43%	0.43	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-43.4	175.3	0	0	0	0	0	111.3	M1 E2 F7 R121	M1-A5 PolarHBondContact O-N 3.39Å; M1-A5 VanDerWaalsContact O-N 3.15Å; E2-A5 WeakPolarHBondContact O-CB 3.48Å; E2-A5 PolarHBondContact O-N 3.14Å; A5-F7 PolarHBondContact O-N 2.89Å; A5-R121 PolarHBondContact O-NH1 3.38Å; A5-R121 VanDerWaalsContact O-NH1 3.15Å; A5-R121 PolarHBondContact O-NH2 3.4Å
6	E	87.6	Confident	92.8	Very high	153 Å²	153	75.3 Å²	75.3	72%	0.715	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.7	178.8	-66	173.8	179.2	0	0	114.1	E2 L4	E2-E6 WeakPolarHBondContact O-CG 3.42Å; E2-E6 PolarHBondContact O-N 3.07Å; L4-E6 VanDerWaalsContact C-N 3.33Å; L4-E6 PolarHBondContact O-N 3.31Å
7	F	91.3	Very high	93.1	Very high	99 Å²	99	71.5 Å²	71.5	43%	0.434	38%	0.379	S	S	.	.			trans	-64.3	131.8	-177.8	-157.4	-115.4	0	0	0	110.3	K3 L4 A5 I9 R121	K3-F7 PolarHBondContact O-N 2.99Å; L4-F7 VanDerWaalsContact O-CB 3.28Å; L4-F7 WeakPolarHBondContact O-CB 3.48Å; L4-F7 PolarHBondContact O-N 3.47Å; A5-F7 PolarHBondContact O-N 2.89Å; F7-I9 HydrophobicContact CD1-CG1 3.61Å; F7-I9 WeakPolarHBondContact CD1-O 3.08Å; F7-I9 HydrophobicContact CE1-CD1 3.78Å; F7-I9 HydrophobicContact CE1-CG1 3.31Å; F7-I9 HydrophobicContact CZ-CG1 4.32Å; F7-I9 PolarHBondContact O-N 3.39Å; F7-R121 PolarHBondContact O-NH1 2.82Å
8	P	88.4	Confident	93.4	Very high	60 Å²	60	72.8 Å²	72.8	39%	0.39	39%	0.392	S	S	.	.	S	Bend	trans	-73.5	-12.2	-167.1	27.4	-35.8	0	0	0	114.2	Q118	P8-Q118 VanDerWaalsContact O-CG 3.3Å; P8-Q118 WeakPolarHBondContact O-CG 3.39Å
9	I	92.7	Very high	93.6	Very high	69 Å²	69	69.4 Å²	69.4	35%	0.354	37%	0.374	S	S	.	.	S	Bend	trans	-122.7	154.9	179.8	60.8	174	0	0	0	110.6	F7	F7-I9 HydrophobicContact CD1-CG1 3.61Å; F7-I9 WeakPolarHBondContact CD1-O 3.08Å; F7-I9 HydrophobicContact CE1-CD1 3.78Å; F7-I9 HydrophobicContact CE1-CG1 3.31Å; F7-I9 HydrophobicContact CZ-CG1 4.32Å; F7-I9 PolarHBondContact O-N 3.39Å
10	P	95.6	Very high	93.8	Very high	36 Å²	36	69.3 Å²	69.3	23%	0.234	38%	0.376	C	S	.	.			trans	-57.5	145.4	177.8	-25	34.9	0	0	0	113.1	D31 I109 V117	P10-D31 WeakPolarHBondContact CA-OD2 3.32Å; P10-I109 HydrophobicContact CB-CD1 4.36Å; P10-I109 HydrophobicContact CG-CG2 4.06Å; P10-V117 HydrophobicContact CG-CG1 3.48Å; P10-V117 VanDerWaalsContact CG-CG1 3.48Å
11	S	96.9	Very high	93.8	Very high	14 Å²	14	67 Å²	67	10%	0.098	37%	0.366	C	S	.	.			trans	-109.7	138.8	178.1	55.4	0	0	0	0	110.9	C30 D31 L32	S11-C30 WeakPolarHBondContact OG-CA 3.49Å; S11-D31 PolarHBondContact N-OD2 2.89Å; S11-D31 PolarHBondContact O-N 2.65Å; S11-D31 PolarHBondContact OG-N 2.89Å; S11-D31 PolarHBondContact OG-OD2 3.01Å; S11-L32 PolarHBondContact O-N 2.87Å
12	I	98.1	Very high	94.2	Very high	50 Å²	50	64.3 Å²	64.3	26%	0.256	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.6	175.9	-48.8	-175.8	0	0	0	108.7	L32 I34 F105 A106 I109	I12-L32 CarbonylContact C-O 3.55Å; I12-L32 WeakPolarHBondContact CA-O 3.37Å; I12-L32 HydrophobicContact CD1-CD1 4.42Å; I12-L32 HydrophobicContact CG1-CB 4.18Å; I12-L32 HydrophobicContact CG1-CD1 4.28Å; I12-L32 HydrophobicContact CG2-CB 4.33Å; I12-I34 HydrophobicContact CG2-CG2 4.3Å; I12-F105 HydrophobicContact CD1-CB 4.45Å; I12-F105 HydrophobicContact CD1-CD1 4.5Å; I12-F105 HydrophobicContact CD1-CG 4.36Å; I12-F105 HydrophobicContact CG2-CD1 4.23Å; I12-A106 HydrophobicContact CD1-CB 4Å; I12-I109 HydrophobicContact CD1-CD1 3.94Å; I12-I109 HydrophobicContact CG1-CD1 4.46Å
13	A	98.5	Very high	94.7	Very high	12 Å²	12	58.5 Å²	58.5	10%	0.099	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	127.8	166.8	0	0	0	0	0	110	V15 V27 C30 L32 A33 I34	A13-V15 HydrophobicContact CB-CG2 4.28Å; A13-V27 HydrophobicContact CB-CG1 4.35Å; A13-V27 HydrophobicContact CB-CG2 4.36Å; A13-C30 HydrophobicContact CB-CB 4.08Å; A13-L32 PolarHBondContact N-O 2.95Å; A13-A33 HydrophobicContact CB-CB 3.96Å; A13-A33 CarbonylContact O-C 3.54Å; A13-A33 VanDerWaalsContact O-CA 3.32Å; A13-A33 WeakPolarHBondContact O-CA 3.41Å; A13-I34 PolarHBondContact O-N 3.41Å
14	S	98.6	Very high	95	Very high	62 Å²	62	49.9 Å²	49.9	43%	0.434	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	108.1	170.9	-173.9	0	0	0	0	108.7	L98 S102	S14-L98 WeakPolarHBondContact OG-CD1 3.38Å; S14-L98 WeakPolarHBondContact OG-CG 3.46Å; S14-S102 WeakPolarHBondContact CB-OG 3.44Å; S14-S102 PolarHBondContact OG-OG 3.31Å
15	V	98.8	Very high	95.3	Very high	14 Å²	14	49.5 Å²	49.5	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	107	-165.5	-171.5	0	0	0	0	110.7	A13 G17 A19 V27 I34 A36 A39 F41	A13-V15 HydrophobicContact CB-CG2 4.28Å; V15-G17 WeakPolarHBondContact CG1-O 3.32Å; V15-A19 HydrophobicContact CG1-CB 4.07Å; V15-V27 HydrophobicContact CG2-CG1 4.25Å; V15-V27 HydrophobicContact CG2-CG2 3.55Å; V15-I34 PolarHBondContact N-O 3.24Å; V15-A36 WeakPolarHBondContact O-CB 3.44Å; V15-A36 PolarHBondContact O-N 3.33Å; V15-A39 HydrophobicContact CG1-CB 4.02Å; V15-F41 HydrophobicContact CB-CE1 4.37Å; V15-F41 HydrophobicContact CB-CZ 4.17Å; V15-F41 HydrophobicContact CG1-CE1 3.9Å; V15-F41 HydrophobicContact CG1-CZ 3.85Å; V15-F41 HydrophobicContact CG2-CE1 4.17Å; V15-F41 HydrophobicContact CG2-CZ 4.35Å
16	N	98.3	Very high	95.9	Very high	113 Å²	113	51.4 Å²	51.4	60%	0.604	31%	0.307	S	S	*	.			trans	-105.6	36.7	-177.2	-160.6	17	0	0	0	113.8	L98	N16-L98 HydrophobicContact CB-CD2 3.48Å; N16-L98 VanDerWaalsContact CB-CD2 3.48Å
17	G	97.8	Very high	96.4	Very high	12 Å²	12	44.6 Å²	44.6	12%	0.124	28%	0.276	C	S	.	.	S	Bend	trans	154.4	-159.2	-176.4	0	0	0	0	0	113.5	V15 A19 A39	V15-G17 WeakPolarHBondContact CG1-O 3.32Å; G17-A19 PolarHBondContact O-N 2.87Å; G17-A39 VanDerWaalsContact O-CB 3.3Å; G17-A39 WeakPolarHBondContact O-CB 3.3Å
18	P	98.1	Very high	96.7	Very high	95 Å²	95	40.6 Å²	40.6	62%	0.617	26%	0.261	S	S	*	.			trans	-63.5	120.1	-175.8	-23.2	34	0	0	0	113.6	I40	P18-I40 WeakPolarHBondContact CA-O 3.39Å; P18-I40 HydrophobicContact CB-CD1 4.21Å; P18-I40 HydrophobicContact CB-CG1 3.79Å; P18-I40 HydrophobicContact CG-CD1 4.32Å; P18-I40 HydrophobicContact CG-CG1 4.02Å
19	A	98.3	Very high	97.1	Very high	7 Å²	7	39 Å²	39	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	96.9	168.3	0	0	0	0	0	109.7	V15 G17 C24 V27 I40 F41 S42	V15-A19 HydrophobicContact CG1-CB 4.07Å; G17-A19 PolarHBondContact O-N 2.87Å; A19-C24 WeakPolarHBondContact O-CB 3.24Å; A19-V27 HydrophobicContact CB-CG2 4.02Å; A19-I40 PolarHBondContact N-O 3.41Å; A19-F41 HydrophobicContact CB-CD1 3.73Å; A19-F41 HydrophobicContact CB-CE1 3.92Å; A19-F41 WeakPolarHBondContact O-CA 3.22Å; A19-S42 PolarHBondContact O-N 3.46Å; A19-S42 VanDerWaalsContact O-N 3.09Å
20	V	96.5	Very high	97.4	Very high	67 Å²	67	36.9 Å²	36.9	41%	0.406	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	141.9	-172.6	-72.5	0	0	0	0	112.8	G22 G23 S42	V20-G22 PolarHBondContact O-N 3.17Å; V20-G22 VanDerWaalsContact O-N 3.08Å; V20-G23 PolarHBondContact O-N 3.27Å; V20-S42 CarbonylContact C-O 3.54Å; V20-S42 WeakPolarHBondContact CA-O 3.45Å
21	A	94.1	Very high	97.4	Very high	21 Å²	21	37.1 Å²	37.1	17%	0.174	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-110.7	-179.6	0	0	0	0	0	112.2	G23 C24 Q25 S42	A21-G23 PolarHBondContact O-N 3.21Å; A21-C24 WeakPolarHBondContact O-CB 3.49Å; A21-C24 PolarHBondContact O-N 3.37Å; A21-C24 VanDerWaalsContact O-N 3.12Å; A21-Q25 PolarHBondContact O-N 2.92Å; A21-S42 PolarHBondContact N-O 3.05Å
22	G	94.6	Very high	97.4	Very high	42 Å²	42	38 Å²	38	43%	0.433	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-29.9	176.5	0	0	0	0	0	113.7	V20 Q25 L26	V20-G22 PolarHBondContact O-N 3.17Å; V20-G22 VanDerWaalsContact O-N 3.08Å; G22-Q25 WeakPolarHBondContact O-CB 3.34Å; G22-Q25 PolarHBondContact O-N 2.95Å; G22-L26 PolarHBondContact O-N 3.37Å
23	G	96.6	Very high	97.4	Very high	31 Å²	31	35.7 Å²	35.7	32%	0.32	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-42	173.3	0	0	0	0	0	112.3	V20 A21 Q25 L26 V27	V20-G23 PolarHBondContact O-N 3.27Å; A21-G23 PolarHBondContact O-N 3.21Å; G23-Q25 VanDerWaalsContact C-N 3.33Å; G23-Q25 PolarHBondContact O-N 2.81Å; G23-L26 PolarHBondContact O-N 3.49Å; G23-V27 WeakPolarHBondContact O-CG2 3.3Å; G23-V27 PolarHBondContact O-N 3.33Å; G23-V27 VanDerWaalsContact O-N 3.13Å
24	C	97.3	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-37.8	174.6	-162	0	0	0	0	111.5	A19 A21 L26 V27 A28 S42	A19-C24 WeakPolarHBondContact O-CB 3.24Å; A21-C24 WeakPolarHBondContact O-CB 3.49Å; A21-C24 PolarHBondContact O-N 3.37Å; A21-C24 VanDerWaalsContact O-N 3.12Å; C24-L26 VanDerWaalsContact C-N 3.33Å; C24-L26 PolarHBondContact O-N 3.44Å; C24-V27 PolarHBondContact O-N 3.47Å; C24-A28 WeakPolarHBondContact O-CB 3.49Å; C24-A28 PolarHBondContact O-N 2.97Å; C24-S42 WeakPolarHBondContact CB-O 3.4Å
25	Q	97.6	Very high	97.5	Very high	30 Å²	30	32.2 Å²	32.2	14%	0.14	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-42.2	172.3	-171.1	-175.9	-21.7	0	0	112	M1 A21 G22 G23 A28 A29 P55	M1-Q25 HydrophobicContact CE-CB 3.99Å; M1-Q25 HydrophobicContact CE-CG 3.47Å; M1-Q25 VanDerWaalsContact CE-CG 3.47Å; M1-Q25 VanDerWaalsContact CG-NE2 3.3Å; A21-Q25 PolarHBondContact O-N 2.92Å; G22-Q25 WeakPolarHBondContact O-CB 3.34Å; G22-Q25 PolarHBondContact O-N 2.95Å; G23-Q25 VanDerWaalsContact C-N 3.33Å; G23-Q25 PolarHBondContact O-N 2.81Å; Q25-A28 PolarHBondContact O-N 3.43Å; Q25-A29 VanDerWaalsContact O-CB 3.26Å; Q25-A29 WeakPolarHBondContact O-CB 3.4Å; Q25-A29 PolarHBondContact O-N 2.95Å; Q25-P55 HydrophobicContact CB-CB 3.89Å; Q25-P55 HydrophobicContact CB-CG 4.12Å; Q25-P55 HydrophobicContact CG-CB 4.35Å
26	L	97.8	Very high	97.5	Very high	92 Å²	92	31.5 Å²	31.5	48%	0.482	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-45.4	179.2	-178.7	61.2	0	0	0	111.6	M1 L4 G22 G23 C24 A28 A29 C30	M1-L26 VanDerWaalsContact CE-CA 3.49Å; M1-L26 HydrophobicContact CE-CB 4.11Å; M1-L26 HydrophobicContact CE-CD1 4.22Å; M1-L26 HydrophobicContact SD-CD1 4.49Å; L4-L26 HydrophobicContact CD2-CD1 3.95Å; G22-L26 PolarHBondContact O-N 3.37Å; G23-L26 PolarHBondContact O-N 3.49Å; C24-L26 VanDerWaalsContact C-N 3.33Å; C24-L26 PolarHBondContact O-N 3.44Å; L26-A28 PolarHBondContact O-N 2.93Å; L26-A29 PolarHBondContact O-N 2.84Å; L26-A29 VanDerWaalsContact O-N 3.13Å; L26-C30 PolarHBondContact O-N 2.98Å
27	V	98.5	Very high	97.5	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-49.8	175.2	176.6	0	0	0	0	110.6	A13 V15 A19 G23 C24 A29 C30 A33 F41 L88 V89	A13-V27 HydrophobicContact CB-CG1 4.35Å; A13-V27 HydrophobicContact CB-CG2 4.36Å; V15-V27 HydrophobicContact CG2-CG1 4.25Å; V15-V27 HydrophobicContact CG2-CG2 3.55Å; A19-V27 HydrophobicContact CB-CG2 4.02Å; G23-V27 WeakPolarHBondContact O-CG2 3.3Å; G23-V27 PolarHBondContact O-N 3.33Å; G23-V27 VanDerWaalsContact O-N 3.13Å; C24-V27 PolarHBondContact O-N 3.47Å; V27-A29 PolarHBondContact O-N 3.23Å; V27-C30 PolarHBondContact O-N 3.34Å; V27-A33 HydrophobicContact CG1-CB 3.89Å; V27-F41 HydrophobicContact CG1-CE1 4.01Å; V27-F41 HydrophobicContact CG2-CE1 4.21Å; V27-L88 HydrophobicContact CG1-CD1 4.46Å; V27-L88 HydrophobicContact CG1-CG 4.48Å; V27-V89 HydrophobicContact CG1-CG1 4.24Å
28	A	98	Very high	97.5	Very high	15 Å²	15	33.6 Å²	33.6	12%	0.124	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-12.6	179.9	0	0	0	0	0	114.3	C24 Q25 L26 L59 A62 L88	C24-A28 WeakPolarHBondContact O-CB 3.49Å; C24-A28 PolarHBondContact O-N 2.97Å; Q25-A28 PolarHBondContact O-N 3.43Å; L26-A28 PolarHBondContact O-N 2.93Å; A28-L59 HydrophobicContact CB-CD2 4.19Å; A28-L59 HydrophobicContact CB-CG 4.48Å; A28-A62 HydrophobicContact CB-CB 4.05Å; A28-L88 HydrophobicContact CB-CD1 3.78Å
29	A	97.1	Very high	97.6	Very high	26 Å²	26	29.1 Å²	29.1	22%	0.215	19%	0.187	C	C	.	.	H	α-helix	trans	-96.3	-15.8	178.8	0	0	0	0	0	113.2	M1 L4 Q25 L26 V27	M1-A29 HydrophobicContact CE-CB 3.95Å; M1-A29 HydrophobicContact SD-CB 4.1Å; L4-A29 HydrophobicContact CD2-CB 3.97Å; Q25-A29 VanDerWaalsContact O-CB 3.26Å; Q25-A29 WeakPolarHBondContact O-CB 3.4Å; Q25-A29 PolarHBondContact O-N 2.95Å; L26-A29 PolarHBondContact O-N 2.84Å; L26-A29 VanDerWaalsContact O-N 3.13Å; V27-A29 PolarHBondContact O-N 3.23Å
30	C	97.6	Very high	97.6	Very high	25 Å²	25	32 Å²	32	17%	0.169	20%	0.2	C	C	.	.	S	Bend	trans	-71	154.8	171.8	-70.7	0	0	0	0	110.9	S11 A13 L26 V27 L32	S11-C30 WeakPolarHBondContact OG-CA 3.49Å; A13-C30 HydrophobicContact CB-CB 4.08Å; L26-C30 PolarHBondContact O-N 2.98Å; V27-C30 PolarHBondContact O-N 3.34Å; C30-L32 VanDerWaalsContact C-N 3.32Å; C30-L32 WeakPolarHBondContact CB-O 3.42Å
31	D	96.3	Very high	97.7	Very high	41 Å²	41	28.8 Å²	28.8	22%	0.219	18%	0.181	C	C	.	.	S	Bend	trans	-67.3	-38.1	176.3	-56.6	-74.9	0	0	0	111	P10 S11 R121 H125	P10-D31 WeakPolarHBondContact CA-OD2 3.32Å; S11-D31 PolarHBondContact N-OD2 2.89Å; S11-D31 PolarHBondContact O-N 2.65Å; S11-D31 PolarHBondContact OG-N 2.89Å; S11-D31 PolarHBondContact OG-OD2 3.01Å; D31-R121 IonicContact OD1-CZ 3.46Å; D31-R121 IonicContact OD1-NE 2.94Å; D31-R121 PolarHBondContact OD1-NE 3.48Å; D31-R121 IonicContact OD1-NH2 3.28Å; D31-R121 PolarHBondContact OD1-NH2 2.87Å; D31-R121 IonicContact OD2-CZ 3.48Å; D31-R121 IonicContact OD2-NE 2.87Å; D31-R121 PolarHBondContact OD2-NE 3.47Å; D31-R121 IonicContact OD2-NH2 3.2Å; D31-R121 PolarHBondContact OD2-NH2 3.26Å; D31-H125 IonicContact OD1-CE1 3.67Å; D31-H125 IonicContact OD1-NE2 3.02Å; D31-H125 PolarHBondContact OD1-NE2 3.48Å
32	L	97.4	Very high	97.8	Very high	33 Å²	33	28 Å²	28	17%	0.173	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.8	179.4	-58.3	169.9	0	0	0	110.7	S11 I12 A13 C30 F105 I109	S11-L32 PolarHBondContact O-N 2.87Å; I12-L32 CarbonylContact C-O 3.55Å; I12-L32 WeakPolarHBondContact CA-O 3.37Å; I12-L32 HydrophobicContact CD1-CD1 4.42Å; I12-L32 HydrophobicContact CG1-CB 4.18Å; I12-L32 HydrophobicContact CG1-CD1 4.28Å; I12-L32 HydrophobicContact CG2-CB 4.33Å; A13-L32 PolarHBondContact N-O 2.95Å; C30-L32 VanDerWaalsContact C-N 3.32Å; C30-L32 WeakPolarHBondContact CB-O 3.42Å; L32-F105 HydrophobicContact CB-CE1 3.96Å; L32-F105 HydrophobicContact CB-CZ 4.09Å; L32-F105 HydrophobicContact CD1-CE1 4.24Å; L32-F105 HydrophobicContact CD1-CE2 3.87Å; L32-F105 HydrophobicContact CD1-CZ 3.73Å; L32-F105 HydrophobicContact CD2-CZ 3.92Å; L32-F105 HydrophobicContact CG-CE1 4.5Å; L32-F105 HydrophobicContact CG-CZ 4.13Å; L32-I109 HydrophobicContact CD1-CD1 3.42Å; L32-I109 VanDerWaalsContact CD1-CD1 3.42Å; L32-I109 HydrophobicContact CD1-CG1 4.42Å
33	A	98.7	Very high	97.9	Very high	2 Å²	2	26 Å²	26	2%	0.017	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	139.9	177.9	0	0	0	0	0	111.7	A13 V27 V89 H90 R91	A13-A33 HydrophobicContact CB-CB 3.96Å; A13-A33 CarbonylContact O-C 3.54Å; A13-A33 VanDerWaalsContact O-CA 3.32Å; A13-A33 WeakPolarHBondContact O-CA 3.41Å; V27-A33 HydrophobicContact CG1-CB 3.89Å; A33-V89 HydrophobicContact CB-CB 4.23Å; A33-V89 HydrophobicContact CB-CG1 3.97Å; A33-H90 PolarHBondContact N-ND1 3.15Å; A33-H90 WeakPolarHBondContact O-CB 3.34Å; A33-H90 PolarHBondContact O-N 2.96Å; A33-R91 PolarHBondContact O-N 3.18Å
34	I	98.8	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.2	172.5	-180	165.9	0	0	0	108.9	I12 A13 V15 R91 V93 L98 A101 S102	I12-I34 HydrophobicContact CG2-CG2 4.3Å; A13-I34 PolarHBondContact O-N 3.41Å; V15-I34 PolarHBondContact N-O 3.24Å; I34-R91 WeakPolarHBondContact CA-O 3.5Å; I34-R91 HydrophobicContact CB-CB 4.17Å; I34-R91 HydrophobicContact CD1-CB 3.86Å; I34-R91 HydrophobicContact CG1-CB 3.73Å; I34-V93 HydrophobicContact CD1-CG1 4.11Å; I34-V93 HydrophobicContact CD1-CG2 4.07Å; I34-V93 HydrophobicContact CG1-CG2 4.29Å; I34-L98 HydrophobicContact CD1-CD1 4.42Å; I34-L98 HydrophobicContact CG1-CD1 3.91Å; I34-L98 HydrophobicContact CG2-CD1 4.14Å; I34-A101 HydrophobicContact CD1-CB 3.45Å; I34-A101 VanDerWaalsContact CD1-CB 3.45Å; I34-S102 VanDerWaalsContact CG2-OG 3.31Å; I34-S102 WeakPolarHBondContact CG2-OG 3.5Å
35	S	98.8	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140	-174.6	-167.9	0	0	0	0	111.7	A39 F41 A80 R91 V92 V93	S35-A39 VanDerWaalsContact OG-CB 3.22Å; S35-A39 WeakPolarHBondContact OG-CB 3.37Å; S35-F41 WeakPolarHBondContact OG-CZ 3.41Å; S35-A80 WeakPolarHBondContact OG-CB 3.49Å; S35-R91 PolarHBondContact N-O 3.35Å; S35-V92 WeakPolarHBondContact O-CA 3.4Å; S35-V93 PolarHBondContact O-N 3.44Å
36	A	98.8	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	150.9	155.8	0	0	0	0	0	109.4	V15 S38 A39 A80 V93 D95 L98	V15-A36 WeakPolarHBondContact O-CB 3.44Å; V15-A36 PolarHBondContact O-N 3.33Å; A36-S38 VanDerWaalsContact C-N 3.3Å; A36-S38 PolarHBondContact O-N 3.39Å; A36-A39 VanDerWaalsContact O-CB 3.29Å; A36-A39 WeakPolarHBondContact O-CB 3.42Å; A36-A39 PolarHBondContact O-N 3.01Å; A36-A80 VanDerWaalsContact O-CB 3.29Å; A36-A80 WeakPolarHBondContact O-CB 3.35Å; A36-V93 CarbonylContact C-O 3.51Å; A36-D95 HydrophobicContact CB-CB 4.31Å; A36-D95 WeakPolarHBondContact CB-OD1 3.46Å; A36-L98 HydrophobicContact CB-CD2 4.06Å
37	K	98.7	Very high	97.2	Very high	99 Å²	99	30.8 Å²	30.8	43%	0.43	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-33.8	-178.6	-167.4	174.6	-168.7	173.2	0	112.3	A39 V92 V93 E94 D95	K37-A39 VanDerWaalsContact C-N 3.27Å; K37-A39 PolarHBondContact O-N 3.27Å; K37-V92 HydrophobicContact CB-CG1 4.32Å; K37-V93 PolarHBondContact N-O 3.2Å; K37-E94 WeakPolarHBondContact CD-OE1 3.32Å; K37-E94 IonicContact NZ-OE1 2.74Å; K37-E94 PolarHBondContact NZ-OE1 3.28Å; K37-E94 IonicContact NZ-OE2 3.81Å; K37-D95 PolarHBondContact N-OD1 2.83Å
38	S	98.5	Very high	97	Very high	70 Å²	70	37.6 Å²	37.6	49%	0.49	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-10.7	177.2	64.1	0	0	0	0	114.8	A36 D95	A36-S38 VanDerWaalsContact C-N 3.3Å; A36-S38 PolarHBondContact O-N 3.39Å; S38-D95 WeakPolarHBondContact CB-OD2 3.39Å; S38-D95 PolarHBondContact N-OD1 3.02Å; S38-D95 VanDerWaalsContact OG-CG 3.24Å; S38-D95 PolarHBondContact OG-OD1 3Å; S38-D95 PolarHBondContact OG-OD2 3.47Å
39	A	98.7	Very high	96.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	24%	0.235	C	C	.	.			trans	-66.3	150.1	-178.6	0	0	0	0	0	112.2	V15 G17 S35 A36 K37 F41 A80	V15-A39 HydrophobicContact CG1-CB 4.02Å; G17-A39 VanDerWaalsContact O-CB 3.3Å; G17-A39 WeakPolarHBondContact O-CB 3.3Å; S35-A39 VanDerWaalsContact OG-CB 3.22Å; S35-A39 WeakPolarHBondContact OG-CB 3.37Å; A36-A39 VanDerWaalsContact O-CB 3.29Å; A36-A39 WeakPolarHBondContact O-CB 3.42Å; A36-A39 PolarHBondContact O-N 3.01Å; K37-A39 VanDerWaalsContact C-N 3.27Å; K37-A39 PolarHBondContact O-N 3.27Å; A39-F41 HydrophobicContact CB-CE2 4.17Å; A39-F41 HydrophobicContact CB-CZ 4.33Å; A39-A80 PolarHBondContact O-N 3.08Å
40	I	98.6	Very high	96.7	Very high	67 Å²	67	44.6 Å²	44.6	34%	0.344	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	149.4	176.1	61.9	166.8	0	0	0	110.8	P18 A19 A77 I78	P18-I40 WeakPolarHBondContact CA-O 3.39Å; P18-I40 HydrophobicContact CB-CD1 4.21Å; P18-I40 HydrophobicContact CB-CG1 3.79Å; P18-I40 HydrophobicContact CG-CD1 4.32Å; P18-I40 HydrophobicContact CG-CG1 4.02Å; A19-I40 PolarHBondContact N-O 3.41Å; I40-A77 HydrophobicContact CB-CB 4.3Å; I40-A77 HydrophobicContact CD1-CB 4.09Å; I40-I78 VanDerWaalsContact CA-O 3.3Å; I40-I78 WeakPolarHBondContact CA-O 3.19Å
41	F	98.7	Very high	96.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.3	-176.4	-57.6	-95	0	0	0	110.4	V15 A19 V27 S35 A39 A77 I78 A80 A83 L88 V89	V15-F41 HydrophobicContact CB-CE1 4.37Å; V15-F41 HydrophobicContact CB-CZ 4.17Å; V15-F41 HydrophobicContact CG1-CE1 3.9Å; V15-F41 HydrophobicContact CG1-CZ 3.85Å; V15-F41 HydrophobicContact CG2-CE1 4.17Å; V15-F41 HydrophobicContact CG2-CZ 4.35Å; A19-F41 HydrophobicContact CB-CD1 3.73Å; A19-F41 HydrophobicContact CB-CE1 3.92Å; A19-F41 WeakPolarHBondContact O-CA 3.22Å; V27-F41 HydrophobicContact CG1-CE1 4.01Å; V27-F41 HydrophobicContact CG2-CE1 4.21Å; S35-F41 WeakPolarHBondContact OG-CZ 3.41Å; A39-F41 HydrophobicContact CB-CE2 4.17Å; A39-F41 HydrophobicContact CB-CZ 4.33Å; F41-A77 CarbonylContact O-C 2.83Å; F41-A77 VanDerWaalsContact O-CA 3.27Å; F41-A77 WeakPolarHBondContact O-CA 3.49Å; F41-I78 HydrophobicContact CB-CD1 4.34Å; F41-I78 HydrophobicContact CB-CG1 3.83Å; F41-I78 PolarHBondContact N-O 2.95Å; F41-I78 PolarHBondContact O-N 3.01Å; F41-A80 HydrophobicContact CE2-CB 4.4Å; F41-A83 HydrophobicContact CD2-CB 3.54Å; F41-A83 HydrophobicContact CE2-CB 3.75Å; F41-A83 HydrophobicContact CG-CB 4.15Å; F41-A83 HydrophobicContact CZ-CB 4.48Å; F41-L88 HydrophobicContact CB-CD2 3.85Å; F41-L88 HydrophobicContact CD1-CD2 3.75Å; F41-L88 HydrophobicContact CG-CD2 3.84Å; F41-V89 HydrophobicContact CE1-CG1 4.06Å; F41-V89 HydrophobicContact CE2-CG1 4.47Å; F41-V89 HydrophobicContact CZ-CG1 3.77Å
42	S	97.6	Very high	96.6	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	150.5	178	-164	0	0	0	0	113.9	A19 V20 A21 C24 G75 K76	A19-S42 PolarHBondContact O-N 3.46Å; A19-S42 VanDerWaalsContact O-N 3.09Å; V20-S42 CarbonylContact C-O 3.54Å; V20-S42 WeakPolarHBondContact CA-O 3.45Å; A21-S42 PolarHBondContact N-O 3.05Å; C24-S42 WeakPolarHBondContact CB-O 3.4Å; S42-G75 PolarHBondContact OG-O 3.38Å; S42-G75 VanDerWaalsContact OG-O 3.11Å; S42-K76 VanDerWaalsContact OG-C 3.29Å; S42-K76 PolarHBondContact OG-O 3.3Å
43	A	96.3	Very high	96.6	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.273	C	S	.	.			trans	-107.4	58.2	166.6	0	0	0	0	0	110.3	S45 C52 L59 L71 L72	A43-S45 VanDerWaalsContact C-N 3.34Å; A43-S45 PolarHBondContact O-N 3.12Å; A43-C52 HydrophobicContact CB-CB 3.95Å; A43-L59 HydrophobicContact CB-CD1 4.14Å; A43-L71 HydrophobicContact CB-CB 4.32Å; A43-L72 HydrophobicContact CB-CD2 3.81Å; A43-L72 HydrophobicContact CB-CG 4.41Å
44	S	93.6	Very high	96.4	Very high	35 Å²	35	52.5 Å²	52.5	25%	0.245	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-75.3	-6.2	-163	55	0	0	0	0	116.8	I46 K47	S44-I46 PolarHBondContact O-N 3.17Å; S44-K47 WeakPolarHBondContact O-CB 3.47Å; S44-K47 PolarHBondContact O-N 3.34Å
45	S	93.6	Very high	96.3	Very high	22 Å²	22	52.8 Å²	52.8	15%	0.154	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-57.8	-21.4	-175.8	-54.3	0	0	0	0	113.7	A43 K47 L48 L50 C52	A43-S45 VanDerWaalsContact C-N 3.34Å; A43-S45 PolarHBondContact O-N 3.12Å; S45-K47 PolarHBondContact O-N 2.85Å; S45-L48 WeakPolarHBondContact O-CA 3.44Å; S45-L48 WeakPolarHBondContact O-CB 3.49Å; S45-L48 PolarHBondContact O-N 3.05Å; S45-L50 CarbonylContact C-O 3.52Å; S45-L50 WeakPolarHBondContact CB-O 3.28Å; S45-L50 PolarHBondContact O-N 3.32Å; S45-L50 VanDerWaalsContact O-N 3.13Å; S45-C52 WeakPolarHBondContact CB-SG 3.44Å; S45-C52 PolarHBondContact OG-SG 3.42Å
46	I	94.7	Very high	96.2	Very high	57 Å²	57	53.2 Å²	53.2	29%	0.292	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-58.1	-29.3	175.3	-169.3	54.5	0	0	0	112.4	S44 L48 G49 L50 F51	S44-I46 PolarHBondContact O-N 3.17Å; I46-L48 PolarHBondContact O-N 3.33Å; I46-G49 PolarHBondContact O-N 3.05Å; I46-L50 WeakPolarHBondContact CA-O 3.35Å; I46-L50 PolarHBondContact N-O 3.28Å; I46-F51 HydrophobicContact CD1-CD2 4.01Å
47	K	92.5	Very high	96.1	Very high	140 Å²	140	56.8 Å²	56.8	61%	0.609	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-66.4	-16.6	174.9	-63.4	176.2	175.3	168.2	0	113.2	S44 S45 G75	S44-K47 WeakPolarHBondContact O-CB 3.47Å; S44-K47 PolarHBondContact O-N 3.34Å; S45-K47 PolarHBondContact O-N 2.85Å; K47-G75 WeakPolarHBondContact CE-O 3.36Å; K47-G75 PolarHBondContact NZ-O 2.87Å
48	L	94	Very high	96	Very high	154 Å²	154	52.8 Å²	52.8	81%	0.806	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-103.6	11.9	175.4	-55.7	175.1	0	0	0	111.8	S45 I46 L50	S45-L48 WeakPolarHBondContact O-CA 3.44Å; S45-L48 WeakPolarHBondContact O-CB 3.49Å; S45-L48 PolarHBondContact O-N 3.05Å; I46-L48 PolarHBondContact O-N 3.33Å; L48-L50 VanDerWaalsContact C-N 3.27Å; L48-L50 PolarHBondContact O-N 3.14Å
49	G	94.4	Very high	96	Very high	72 Å²	72	49.4 Å²	49.4	74%	0.742	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	9.4	-175.6	0	0	0	0	0	114.5	I46	I46-G49 PolarHBondContact O-N 3.05Å
50	L	95.3	Very high	96	Very high	116 Å²	116	51.7 Å²	51.7	61%	0.607	30%	0.302	S	S	*	.			trans	-113.1	111.9	-178.7	-178.7	63.1	0	0	0	111.1	S45 I46 L48 C52	S45-L50 CarbonylContact C-O 3.52Å; S45-L50 WeakPolarHBondContact CB-O 3.28Å; S45-L50 PolarHBondContact O-N 3.32Å; S45-L50 VanDerWaalsContact O-N 3.13Å; I46-L50 WeakPolarHBondContact CA-O 3.35Å; I46-L50 PolarHBondContact N-O 3.28Å; L48-L50 VanDerWaalsContact C-N 3.27Å; L48-L50 PolarHBondContact O-N 3.14Å; L50-C52 PolarHBondContact O-N 3.06Å
51	F	96.3	Very high	95.8	Very high	87 Å²	87	57.7 Å²	57.7	38%	0.382	32%	0.321	S	S	.	.			trans	-69.7	134.4	175.6	-162.7	-97.2	0	0	0	111.1	I46 S53 L72 L73	I46-F51 HydrophobicContact CD1-CD2 4.01Å; F51-S53 PolarHBondContact O-N 3.13Å; F51-L72 HydrophobicContact CE1-CB 4.41Å; F51-L72 HydrophobicContact CE1-CD2 4.37Å; F51-L72 HydrophobicContact CE2-CB 4.04Å; F51-L72 HydrophobicContact CZ-CB 3.64Å; F51-L72 HydrophobicContact CZ-CD1 4.32Å; F51-L72 HydrophobicContact CZ-CD2 4.41Å; F51-L72 HydrophobicContact CZ-CG 4.35Å; F51-L73 HydrophobicContact CE2-CD2 3.98Å; F51-L73 HydrophobicContact CZ-CD2 4.47Å
52	C	95.3	Very high	95.8	Very high	6 Å²	6	59.6 Å²	59.6	4%	0.041	34%	0.337	C	S	.	.			trans	-74	57.8	177.2	-83.9	0	0	0	0	112.1	A43 S45 L50 T54 P55 G56 L72	A43-C52 HydrophobicContact CB-CB 3.95Å; S45-C52 WeakPolarHBondContact CB-SG 3.44Å; S45-C52 PolarHBondContact OG-SG 3.42Å; L50-C52 PolarHBondContact O-N 3.06Å; C52-T54 PolarHBondContact O-N 2.91Å; C52-P55 HydrophobicContact CB-CB 3.93Å; C52-P55 HydrophobicContact CB-CG 3.78Å; C52-P55 WeakPolarHBondContact O-CD 3.45Å; C52-G56 PolarHBondContact O-N 3.48Å; C52-L72 HydrophobicContact CB-CD2 3.55Å; C52-L72 WeakPolarHBondContact O-CD2 3.41Å
53	S	96.1	Very high	95.8	Very high	78 Å²	78	60.2 Å²	60.2	55%	0.545	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-45.3	-176.5	-56.2	0	0	0	0	112.4	F51 G56	F51-S53 PolarHBondContact O-N 3.13Å; S53-G56 PolarHBondContact O-N 3.18Å
54	T	95.4	Very high	95.9	Very high	96 Å²	96	61.7 Å²	61.7	59%	0.589	36%	0.355	S	S	*	.	H	α-helix	trans	-69.7	-43.8	177.9	40.7	0	0	0	0	112.7	C52 G56 V57	C52-T54 PolarHBondContact O-N 2.91Å; T54-G56 PolarHBondContact O-N 3.35Å; T54-V57 WeakPolarHBondContact O-CB 3.48Å; T54-V57 PolarHBondContact O-N 3.26Å
55	P	96.2	Very high	96.1	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.032	37%	0.367	C	S	.	.	H	α-helix	trans	-56.2	-34.7	167	-27.8	31.9	0	0	0	114.6	Q25 C52 V57 S58 L59	Q25-P55 HydrophobicContact CB-CB 3.89Å; Q25-P55 HydrophobicContact CB-CG 4.12Å; Q25-P55 HydrophobicContact CG-CB 4.35Å; C52-P55 HydrophobicContact CB-CB 3.93Å; C52-P55 HydrophobicContact CB-CG 3.78Å; C52-P55 WeakPolarHBondContact O-CD 3.45Å; P55-V57 PolarHBondContact O-N 3.22Å; P55-S58 PolarHBondContact O-N 3.15Å; P55-L59 HydrophobicContact CB-CD1 4.36Å; P55-L59 WeakPolarHBondContact O-CB 3.4Å; P55-L59 WeakPolarHBondContact O-CG 3.32Å; P55-L59 PolarHBondContact O-N 3.3Å
56	G	97.4	Very high	96.3	Very high	9 Å²	9	74.6 Å²	74.6	9%	0.093	40%	0.401	C	S	.	.	H	α-helix	trans	-58.3	-31.2	178.4	0	0	0	0	0	113.8	C52 S53 T54 V60	C52-G56 PolarHBondContact O-N 3.48Å; S53-G56 PolarHBondContact O-N 3.18Å; T54-G56 PolarHBondContact O-N 3.35Å; G56-V60 WeakPolarHBondContact O-CB 3.38Å; G56-V60 WeakPolarHBondContact O-CG2 3.37Å; G56-V60 PolarHBondContact O-N 3.4Å
57	V	96.9	Very high	96.4	Very high	76 Å²	76	72.5 Å²	72.5	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-59.4	-50.3	178.6	177.9	0	0	0	0	111.4	T54 P55 R61	T54-V57 WeakPolarHBondContact O-CB 3.48Å; T54-V57 PolarHBondContact O-N 3.26Å; P55-V57 PolarHBondContact O-N 3.22Å; V57-R61 VanDerWaalsContact CG1-NH1 3.31Å; V57-R61 WeakPolarHBondContact O-CD 3.5Å; V57-R61 WeakPolarHBondContact O-CG 3.37Å; V57-R61 PolarHBondContact O-NH1 3.43Å
58	S	97.1	Very high	96.7	Very high	14 Å²	14	65.8 Å²	65.8	10%	0.098	36%	0.364	C	S	.	.	H	α-helix	trans	-76.5	-41.3	-179.3	-58.5	0	0	0	0	111.4	P55 V60 R61 A62	P55-S58 PolarHBondContact O-N 3.15Å; S58-V60 PolarHBondContact O-N 2.77Å; S58-R61 PolarHBondContact O-N 3.47Å; S58-A62 WeakPolarHBondContact O-CB 3.31Å; S58-A62 PolarHBondContact O-N 2.93Å
59	L	97.9	Very high	96.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-46.6	178.8	-76.6	170	0	0	0	112.6	A28 A43 P55 R61 A62 I63 A68 L71 L72 L88	A28-L59 HydrophobicContact CB-CD2 4.19Å; A28-L59 HydrophobicContact CB-CG 4.48Å; A43-L59 HydrophobicContact CB-CD1 4.14Å; P55-L59 HydrophobicContact CB-CD1 4.36Å; P55-L59 WeakPolarHBondContact O-CB 3.4Å; P55-L59 WeakPolarHBondContact O-CG 3.32Å; P55-L59 PolarHBondContact O-N 3.3Å; L59-R61 PolarHBondContact O-N 2.94Å; L59-A62 PolarHBondContact O-N 2.94Å; L59-I63 HydrophobicContact CD2-CD1 4.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.43Å; L59-I63 PolarHBondContact O-N 3.23Å; L59-A68 HydrophobicContact CB-CB 3.97Å; L59-L71 HydrophobicContact CD2-CD1 4.09Å; L59-L72 HydrophobicContact CD1-CD2 4.25Å; L59-L72 HydrophobicContact CD1-CG 4.41Å; L59-L88 HydrophobicContact CD2-CD1 4.05Å
60	V	97.7	Very high	97	Very high	48 Å²	48	64 Å²	64	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-33.8	179.3	171.3	0	0	0	0	111.5	G56 S58 G64 L65 A68	G56-V60 WeakPolarHBondContact O-CB 3.38Å; G56-V60 WeakPolarHBondContact O-CG2 3.37Å; G56-V60 PolarHBondContact O-N 3.4Å; S58-V60 PolarHBondContact O-N 2.77Å; V60-G64 CarbonylContact O-C 3.57Å; V60-G64 WeakPolarHBondContact O-CA 3.33Å; V60-G64 PolarHBondContact O-N 2.92Å; V60-G64 VanDerWaalsContact O-N 3.08Å; V60-L65 HydrophobicContact CG1-CB 4.27Å; V60-L65 HydrophobicContact CG1-CD1 4.34Å; V60-L65 HydrophobicContact CG2-CD1 3.94Å; V60-A68 HydrophobicContact CB-CB 4.46Å; V60-A68 HydrophobicContact CG2-CB 3.7Å
61	R	95.9	Very high	97.1	Very high	193 Å²	193	58.6 Å²	58.6	73%	0.728	30%	0.302	S	S	*	.	H	α-helix	trans	-74.9	-34.5	177.5	-73.8	170.2	175.4	68.7	1	112.8	V57 S58 L59	V57-R61 VanDerWaalsContact CG1-NH1 3.31Å; V57-R61 WeakPolarHBondContact O-CD 3.5Å; V57-R61 WeakPolarHBondContact O-CG 3.37Å; V57-R61 PolarHBondContact O-NH1 3.43Å; S58-R61 PolarHBondContact O-N 3.47Å; L59-R61 PolarHBondContact O-N 2.94Å
62	A	97.3	Very high	97.2	Very high	40 Å²	40	54.9 Å²	54.9	33%	0.331	29%	0.286	S	S	.	.	H	α-helix	trans	-78.3	-48.6	-179.5	0	0	0	0	0	113	A28 S58 L59 L88	A28-A62 HydrophobicContact CB-CB 4.05Å; S58-A62 WeakPolarHBondContact O-CB 3.31Å; S58-A62 PolarHBondContact O-N 2.93Å; L59-A62 PolarHBondContact O-N 2.94Å; A62-L88 HydrophobicContact CB-CD1 4.48Å
63	I	98	Very high	97.3	Very high	17 Å²	17	59.9 Å²	59.9	9%	0.087	31%	0.312	C	S	.	.	H	α-helix	trans	-119.5	9.4	-169.5	61.9	171.6	0	0	0	113.8	L59 A67 A68 L71 L86 L88	L59-I63 HydrophobicContact CD2-CD1 4.27Å; L59-I63 WeakPolarHBondContact O-CG1 3.43Å; L59-I63 PolarHBondContact O-N 3.23Å; I63-A67 HydrophobicContact CB-CB 4.08Å; I63-A67 HydrophobicContact CD1-CB 3.81Å; I63-A67 HydrophobicContact CG1-CB 3.98Å; I63-A67 WeakPolarHBondContact O-CB 3.33Å; I63-A68 HydrophobicContact CD1-CB 4.46Å; I63-A68 HydrophobicContact CG1-CB 4.28Å; I63-L71 HydrophobicContact CD1-CD1 3.8Å; I63-L86 HydrophobicContact CB-CB 4.35Å; I63-L86 WeakPolarHBondContact CB-O 3.18Å; I63-L86 HydrophobicContact CD1-CD1 4.48Å; I63-L86 HydrophobicContact CG2-CB 4.11Å; I63-L86 WeakPolarHBondContact CG2-O 3.48Å; I63-L88 HydrophobicContact CG2-CB 3.64Å; I63-L88 HydrophobicContact CG2-CD1 4.39Å; I63-L88 VanDerWaalsContact CG2-N 3.3Å
64	G	97.7	Very high	97.4	Very high	31 Å²	31	59 Å²	59	32%	0.32	30%	0.303	S	S	.	.	H	α-helix	trans	72.9	165.6	-176.7	0	0	0	0	0	113.8	V60 R66 A68	V60-G64 CarbonylContact O-C 3.57Å; V60-G64 WeakPolarHBondContact O-CA 3.33Å; V60-G64 PolarHBondContact O-N 2.92Å; V60-G64 VanDerWaalsContact O-N 3.08Å; G64-R66 PolarHBondContact O-N 3.46Å; G64-A68 VanDerWaalsContact O-CB 3.28Å; G64-A68 WeakPolarHBondContact O-CB 3.34Å; G64-A68 PolarHBondContact O-N 2.94Å; G64-A68 VanDerWaalsContact O-N 3.11Å
65	L	98	Very high	97.4	Very high	97 Å²	97	54.5 Å²	54.5	51%	0.508	28%	0.275	S	S	.	.	H	α-helix	trans	-63.6	-38.2	-172.8	-178.2	59.6	0	0	0	113.4	V60 K69	V60-L65 HydrophobicContact CG1-CB 4.27Å; V60-L65 HydrophobicContact CG1-CD1 4.34Å; V60-L65 HydrophobicContact CG2-CD1 3.94Å; L65-K69 HydrophobicContact CD1-CD 4.43Å; L65-K69 HydrophobicContact CD1-CG 4.33Å; L65-K69 HydrophobicContact CG-CD 4.34Å; L65-K69 WeakPolarHBondContact O-CB 3.5Å; L65-K69 VanDerWaalsContact O-CG 3.29Å; L65-K69 WeakPolarHBondContact O-CG 3.45Å; L65-K69 PolarHBondContact O-N 3.37Å; L65-K69 VanDerWaalsContact O-N 3.08Å
66	R	98.1	Very high	97.5	Very high	230 Å²	230	60.9 Å²	60.9	87%	0.868	30%	0.302	S	S	*	.	H	α-helix	trans	-70.1	-45.2	-174	-167.6	171	-171.2	-100.9	1	112	G64	G64-R66 PolarHBondContact O-N 3.46Å
67	A	97.7	Very high	97.5	Very high	13 Å²	13	62.9 Å²	62.9	11%	0.107	32%	0.319	C	S	.	.	H	α-helix	trans	-70.8	-40.7	177.4	0	0	0	0	0	111.7	I63 K69 E70 L86	I63-A67 HydrophobicContact CB-CB 4.08Å; I63-A67 HydrophobicContact CD1-CB 3.81Å; I63-A67 HydrophobicContact CG1-CB 3.98Å; I63-A67 WeakPolarHBondContact O-CB 3.33Å; A67-K69 VanDerWaalsContact C-N 3.26Å; A67-K69 PolarHBondContact O-N 3.48Å; A67-E70 WeakPolarHBondContact O-CB 3.48Å; A67-E70 PolarHBondContact O-N 3.41Å; A67-E70 VanDerWaalsContact O-N 3.07Å; A67-L86 HydrophobicContact CB-CD1 4.23Å; A67-L86 HydrophobicContact CB-CD2 3.59Å; A67-L86 HydrophobicContact CB-CG 4.36Å
68	A	98.1	Very high	97.6	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-39.1	175.8	0	0	0	0	0	112.3	L59 V60 I63 G64 E70 L71 L72	L59-A68 HydrophobicContact CB-CB 3.97Å; V60-A68 HydrophobicContact CB-CB 4.46Å; V60-A68 HydrophobicContact CG2-CB 3.7Å; I63-A68 HydrophobicContact CD1-CB 4.46Å; I63-A68 HydrophobicContact CG1-CB 4.28Å; G64-A68 VanDerWaalsContact O-CB 3.28Å; G64-A68 WeakPolarHBondContact O-CB 3.34Å; G64-A68 PolarHBondContact O-N 2.94Å; G64-A68 VanDerWaalsContact O-N 3.11Å; A68-E70 VanDerWaalsContact C-N 3.3Å; A68-E70 PolarHBondContact O-N 3.27Å; A68-L71 PolarHBondContact O-N 3.29Å; A68-L72 HydrophobicContact CB-CD1 4.2Å; A68-L72 WeakPolarHBondContact O-CB 3.42Å; A68-L72 WeakPolarHBondContact O-CD1 3.26Å; A68-L72 WeakPolarHBondContact O-CG 3.44Å; A68-L72 PolarHBondContact O-N 2.88Å
69	K	97.9	Very high	97.6	Very high	103 Å²	103	62 Å²	62	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-59.6	-36.4	175.7	-82.2	176.9	179.5	-179.1	0	113.1	L65 A67 L72 L73	L65-K69 HydrophobicContact CD1-CD 4.43Å; L65-K69 HydrophobicContact CD1-CG 4.33Å; L65-K69 HydrophobicContact CG-CD 4.34Å; L65-K69 WeakPolarHBondContact O-CB 3.5Å; L65-K69 VanDerWaalsContact O-CG 3.29Å; L65-K69 WeakPolarHBondContact O-CG 3.45Å; L65-K69 PolarHBondContact O-N 3.37Å; L65-K69 VanDerWaalsContact O-N 3.08Å; A67-K69 VanDerWaalsContact C-N 3.26Å; A67-K69 PolarHBondContact O-N 3.48Å; K69-L72 PolarHBondContact O-N 3.1Å; K69-L73 HydrophobicContact CB-CD1 3.93Å; K69-L73 HydrophobicContact CB-CG 4.44Å; K69-L73 HydrophobicContact CG-CD1 4.19Å; K69-L73 WeakPolarHBondContact O-CB 3.21Å; K69-L73 VanDerWaalsContact O-CG 3.25Å; K69-L73 WeakPolarHBondContact O-CG 3.35Å; K69-L73 PolarHBondContact O-N 3.48Å
70	E	97.2	Very high	97.7	Very high	86 Å²	86	62 Å²	62	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-58.5	-50.8	176.8	-175.8	-178.8	178.4	0	0	110.6	A67 A68 T74 R82	A67-E70 WeakPolarHBondContact O-CB 3.48Å; A67-E70 PolarHBondContact O-N 3.41Å; A67-E70 VanDerWaalsContact O-N 3.07Å; A68-E70 VanDerWaalsContact C-N 3.3Å; A68-E70 PolarHBondContact O-N 3.27Å; E70-T74 VanDerWaalsContact O-CB 3.3Å; E70-T74 WeakPolarHBondContact O-CB 3.45Å; E70-T74 VanDerWaalsContact O-CG2 3.26Å; E70-T74 WeakPolarHBondContact O-CG2 3.37Å; E70-T74 PolarHBondContact O-N 3.27Å; E70-T74 PolarHBondContact O-OG1 3.28Å; E70-R82 IonicContact OE2-NH2 3.92Å
71	L	97.3	Very high	97.7	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-45.7	178.4	-68.5	167.5	0	0	0	112.3	A43 L59 I63 A68 G75 I78	A43-L71 HydrophobicContact CB-CB 4.32Å; L59-L71 HydrophobicContact CD2-CD1 4.09Å; I63-L71 HydrophobicContact CD1-CD1 3.8Å; A68-L71 PolarHBondContact O-N 3.29Å; L71-G75 VanDerWaalsContact O-CA 3.3Å; L71-G75 WeakPolarHBondContact O-CA 3.26Å; L71-G75 PolarHBondContact O-N 3.41Å; L71-I78 HydrophobicContact CD1-CD1 4.26Å; L71-I78 HydrophobicContact CD2-CB 4.44Å; L71-I78 HydrophobicContact CD2-CD1 4.03Å; L71-I78 HydrophobicContact CD2-CG1 3.96Å; L71-I78 HydrophobicContact CD2-CG2 3.79Å
72	L	97.7	Very high	97.8	Very high	10 Å²	10	58.3 Å²	58.3	5%	0.052	30%	0.301	C	S	.	.	H	α-helix	trans	-72.9	-40.1	-173.3	-69.4	165.8	0	0	0	113.3	A43 F51 C52 L59 A68 K69	A43-L72 HydrophobicContact CB-CD2 3.81Å; A43-L72 HydrophobicContact CB-CG 4.41Å; F51-L72 HydrophobicContact CE1-CB 4.41Å; F51-L72 HydrophobicContact CE1-CD2 4.37Å; F51-L72 HydrophobicContact CE2-CB 4.04Å; F51-L72 HydrophobicContact CZ-CB 3.64Å; F51-L72 HydrophobicContact CZ-CD1 4.32Å; F51-L72 HydrophobicContact CZ-CD2 4.41Å; F51-L72 HydrophobicContact CZ-CG 4.35Å; C52-L72 HydrophobicContact CB-CD2 3.55Å; C52-L72 WeakPolarHBondContact O-CD2 3.41Å; L59-L72 HydrophobicContact CD1-CD2 4.25Å; L59-L72 HydrophobicContact CD1-CG 4.41Å; A68-L72 HydrophobicContact CB-CD1 4.2Å; A68-L72 WeakPolarHBondContact O-CB 3.42Å; A68-L72 WeakPolarHBondContact O-CD1 3.26Å; A68-L72 WeakPolarHBondContact O-CG 3.44Å; A68-L72 PolarHBondContact O-N 2.88Å; K69-L72 PolarHBondContact O-N 3.1Å
73	L	98	Very high	97.9	Very high	111 Å²	111	56.4 Å²	56.4	58%	0.581	29%	0.285	S	S	*	.	H	α-helix	trans	-84.2	-30.4	-176.4	-62.6	172.3	0	0	0	112.3	F51 K69	F51-L73 HydrophobicContact CE2-CD2 3.98Å; F51-L73 HydrophobicContact CZ-CD2 4.47Å; K69-L73 HydrophobicContact CB-CD1 3.93Å; K69-L73 HydrophobicContact CB-CG 4.44Å; K69-L73 HydrophobicContact CG-CD1 4.19Å; K69-L73 WeakPolarHBondContact O-CB 3.21Å; K69-L73 VanDerWaalsContact O-CG 3.25Å; K69-L73 WeakPolarHBondContact O-CG 3.35Å; K69-L73 PolarHBondContact O-N 3.48Å
74	T	97.3	Very high	98	Very high	60 Å²	60	62.1 Å²	62.1	37%	0.368	31%	0.307	S	S	.	.	H	α-helix	trans	-96.8	-25.2	-178.3	74.2	0	0	0	0	113	E70 K76	E70-T74 VanDerWaalsContact O-CB 3.3Å; E70-T74 WeakPolarHBondContact O-CB 3.45Å; E70-T74 VanDerWaalsContact O-CG2 3.26Å; E70-T74 WeakPolarHBondContact O-CG2 3.37Å; E70-T74 PolarHBondContact O-N 3.27Å; E70-T74 PolarHBondContact O-OG1 3.28Å; T74-K76 PolarHBondContact O-N 3.06Å; T74-K76 WeakPolarHBondContact OG1-CB 3.37Å; T74-K76 PolarHBondContact OG1-N 3.3Å; T74-K76 VanDerWaalsContact OG1-N 3.13Å
75	G	96.5	Very high	98	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.32	C	S	.	.			trans	58.2	16.1	-170.6	0	0	0	0	0	113.6	S42 K47 L71	S42-G75 PolarHBondContact OG-O 3.38Å; S42-G75 VanDerWaalsContact OG-O 3.11Å; K47-G75 WeakPolarHBondContact CE-O 3.36Å; K47-G75 PolarHBondContact NZ-O 2.87Å; L71-G75 VanDerWaalsContact O-CA 3.3Å; L71-G75 WeakPolarHBondContact O-CA 3.26Å; L71-G75 PolarHBondContact O-N 3.41Å
76	K	97.3	Very high	98	Very high	139 Å²	139	63.6 Å²	63.6	60%	0.604	30%	0.304	S	S	*	.			trans	-71.6	150.8	175.3	-70.5	-178.7	179.8	-177.4	0	109.5	S42 T74	S42-K76 VanDerWaalsContact OG-C 3.29Å; S42-K76 PolarHBondContact OG-O 3.3Å; T74-K76 PolarHBondContact O-N 3.06Å; T74-K76 WeakPolarHBondContact OG1-CB 3.37Å; T74-K76 PolarHBondContact OG1-N 3.3Å; T74-K76 VanDerWaalsContact OG1-N 3.13Å
77	A	97.8	Very high	98	Very high	52 Å²	52	54.5 Å²	54.5	43%	0.43	28%	0.282	S	S	.	.			trans	-86.5	145.2	170.3	0	0	0	0	0	109.3	I40 F41	I40-A77 HydrophobicContact CB-CB 4.3Å; I40-A77 HydrophobicContact CD1-CB 4.09Å; F41-A77 CarbonylContact O-C 2.83Å; F41-A77 VanDerWaalsContact O-CA 3.27Å; F41-A77 WeakPolarHBondContact O-CA 3.49Å
78	I	98.5	Very high	98	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.072	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	151.8	169.6	64.3	173.5	0	0	0	109.3	I40 F41 L71 R82 A83 L86	I40-I78 VanDerWaalsContact CA-O 3.3Å; I40-I78 WeakPolarHBondContact CA-O 3.19Å; F41-I78 HydrophobicContact CB-CD1 4.34Å; F41-I78 HydrophobicContact CB-CG1 3.83Å; F41-I78 PolarHBondContact N-O 2.95Å; F41-I78 PolarHBondContact O-N 3.01Å; L71-I78 HydrophobicContact CD1-CD1 4.26Å; L71-I78 HydrophobicContact CD2-CB 4.44Å; L71-I78 HydrophobicContact CD2-CD1 4.03Å; L71-I78 HydrophobicContact CD2-CG1 3.96Å; L71-I78 HydrophobicContact CD2-CG2 3.79Å; I78-R82 HydrophobicContact CB-CB 4.06Å; I78-R82 HydrophobicContact CB-CG 3.89Å; I78-R82 HydrophobicContact CD1-CG 4.31Å; I78-R82 HydrophobicContact CG2-CG 4.05Å; I78-A83 HydrophobicContact CD1-CB 4.02Å; I78-L86 HydrophobicContact CD1-CD1 3.82Å
79	S	98.7	Very high	98.1	Very high	57 Å²	57	54.2 Å²	54.2	40%	0.399	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	167.1	173.8	60.1	0	0	0	0	111.9	D81 R82 A83	S79-D81 VanDerWaalsContact C-N 3.31Å; S79-D81 PolarHBondContact O-N 2.69Å; S79-R82 PolarHBondContact O-N 2.95Å; S79-R82 PolarHBondContact OG-N 3.31Å; S79-A83 WeakPolarHBondContact O-CB 3.46Å; S79-A83 PolarHBondContact O-N 3.45Å
80	A	98.8	Very high	98.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.4	-42.8	170.7	0	0	0	0	0	112.7	S35 A36 A39 F41 R82 A83 Y84 V92	S35-A80 WeakPolarHBondContact OG-CB 3.49Å; A36-A80 VanDerWaalsContact O-CB 3.29Å; A36-A80 WeakPolarHBondContact O-CB 3.35Å; A39-A80 PolarHBondContact O-N 3.08Å; F41-A80 HydrophobicContact CE2-CB 4.4Å; A80-R82 VanDerWaalsContact C-N 3.34Å; A80-R82 PolarHBondContact O-N 3.5Å; A80-A83 WeakPolarHBondContact O-CB 3.44Å; A80-A83 PolarHBondContact O-N 2.98Å; A80-A83 VanDerWaalsContact O-N 3.15Å; A80-Y84 PolarHBondContact O-N 2.97Å; A80-V92 HydrophobicContact CB-CG1 3.75Å; A80-V92 HydrophobicContact CB-CG2 4.03Å; A80-V92 WeakPolarHBondContact O-CG2 3.34Å
81	D	98.7	Very high	98.2	Very high	80 Å²	80	52.5 Å²	52.5	43%	0.428	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-43.7	177.7	-61.4	-34.8	0	0	0	111.7	S79 A83 Y84 E85	S79-D81 VanDerWaalsContact C-N 3.31Å; S79-D81 PolarHBondContact O-N 2.69Å; D81-A83 VanDerWaalsContact C-N 3.34Å; D81-A83 PolarHBondContact O-N 3.15Å; D81-Y84 WeakPolarHBondContact O-CB 3.46Å; D81-Y84 PolarHBondContact O-N 3.43Å; D81-E85 WeakPolarHBondContact O-CG 3.44Å; D81-E85 PolarHBondContact O-N 3.32Å
82	R	98.5	Very high	98.2	Very high	83 Å²	83	54.3 Å²	54.3	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-68.1	-35.7	176.4	-178.2	56.6	179.2	158.8	3.5	111.8	E70 I78 S79 A80 Y84 E85 L86	E70-R82 IonicContact OE2-NH2 3.92Å; I78-R82 HydrophobicContact CB-CB 4.06Å; I78-R82 HydrophobicContact CB-CG 3.89Å; I78-R82 HydrophobicContact CD1-CG 4.31Å; I78-R82 HydrophobicContact CG2-CG 4.05Å; S79-R82 PolarHBondContact O-N 2.95Å; S79-R82 PolarHBondContact OG-N 3.31Å; A80-R82 VanDerWaalsContact C-N 3.34Å; A80-R82 PolarHBondContact O-N 3.5Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.37Å; R82-E85 WeakPolarHBondContact CD-OE2 3.47Å; R82-E85 IonicContact CZ-OE2 3.69Å; R82-E85 IonicContact NE-OE2 3.84Å; R82-E85 IonicContact NH1-OE2 2.76Å; R82-E85 PolarHBondContact NH1-OE2 3.46Å; R82-E85 PolarHBondContact O-N 2.93Å; R82-L86 HydrophobicContact CG-CD1 4.27Å; R82-L86 WeakPolarHBondContact O-CB 3.26Å; R82-L86 VanDerWaalsContact O-CG 3.29Å; R82-L86 WeakPolarHBondContact O-CG 3.34Å; R82-L86 PolarHBondContact O-N 3.04Å; R82-L86 VanDerWaalsContact O-N 3.09Å
83	A	98.7	Very high	98.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-37.3	173.4	0	0	0	0	0	111.6	F41 I78 S79 A80 D81 L86 G87 L88 V89	F41-A83 HydrophobicContact CD2-CB 3.54Å; F41-A83 HydrophobicContact CE2-CB 3.75Å; F41-A83 HydrophobicContact CG-CB 4.15Å; F41-A83 HydrophobicContact CZ-CB 4.48Å; I78-A83 HydrophobicContact CD1-CB 4.02Å; S79-A83 WeakPolarHBondContact O-CB 3.46Å; S79-A83 PolarHBondContact O-N 3.45Å; A80-A83 WeakPolarHBondContact O-CB 3.44Å; A80-A83 PolarHBondContact O-N 2.98Å; A80-A83 VanDerWaalsContact O-N 3.15Å; D81-A83 VanDerWaalsContact C-N 3.34Å; D81-A83 PolarHBondContact O-N 3.15Å; A83-L86 PolarHBondContact O-N 3.03Å; A83-G87 PolarHBondContact O-N 2.85Å; A83-L88 HydrophobicContact CB-CB 4.1Å; A83-L88 HydrophobicContact CB-CD2 4.18Å; A83-L88 HydrophobicContact CB-CG 4.5Å; A83-L88 WeakPolarHBondContact O-CB 3.31Å; A83-L88 PolarHBondContact O-N 3.05Å; A83-V89 HydrophobicContact CB-CG1 4.46Å; A83-V89 HydrophobicContact CB-CG2 4.01Å; A83-V89 PolarHBondContact O-N 2.94Å
84	Y	98.7	Very high	98.3	Very high	137 Å²	137	54.8 Å²	54.8	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-48.1	173.6	173.2	-100.8	0	0	0	112.1	A80 D81 R82 L86 G87 H90 V92	A80-Y84 PolarHBondContact O-N 2.97Å; D81-Y84 WeakPolarHBondContact O-CB 3.46Å; D81-Y84 PolarHBondContact O-N 3.43Å; R82-Y84 VanDerWaalsContact C-N 3.28Å; R82-Y84 PolarHBondContact O-N 3.37Å; Y84-L86 PolarHBondContact O-N 3.37Å; Y84-G87 PolarHBondContact O-N 3.21Å; Y84-H90 WeakPolarHBondContact CE2-O 3.3Å; Y84-V92 HydrophobicContact CG-CG2 4.43Å
85	E	98.5	Very high	98.4	Very high	130 Å²	130	55 Å²	55	61%	0.607	28%	0.28	S	S	*	.	H	α-helix	trans	-56.9	-33.5	176.2	-70.8	174	-178.7	0	0	113.4	D81 R82	D81-E85 WeakPolarHBondContact O-CG 3.44Å; D81-E85 PolarHBondContact O-N 3.32Å; R82-E85 WeakPolarHBondContact CD-OE2 3.47Å; R82-E85 IonicContact CZ-OE2 3.69Å; R82-E85 IonicContact NE-OE2 3.84Å; R82-E85 IonicContact NH1-OE2 2.76Å; R82-E85 PolarHBondContact NH1-OE2 3.46Å; R82-E85 PolarHBondContact O-N 2.93Å
86	L	98.2	Very high	98.5	Very high	29 Å²	29	61.2 Å²	61.2	15%	0.152	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.2	179.2	-69.5	178.9	0	0	0	113.5	I63 A67 I78 R82 A83 Y84	I63-L86 HydrophobicContact CB-CB 4.35Å; I63-L86 WeakPolarHBondContact CB-O 3.18Å; I63-L86 HydrophobicContact CD1-CD1 4.48Å; I63-L86 HydrophobicContact CG2-CB 4.11Å; I63-L86 WeakPolarHBondContact CG2-O 3.48Å; A67-L86 HydrophobicContact CB-CD1 4.23Å; A67-L86 HydrophobicContact CB-CD2 3.59Å; A67-L86 HydrophobicContact CB-CG 4.36Å; I78-L86 HydrophobicContact CD1-CD1 3.82Å; R82-L86 HydrophobicContact CG-CD1 4.27Å; R82-L86 WeakPolarHBondContact O-CB 3.26Å; R82-L86 VanDerWaalsContact O-CG 3.29Å; R82-L86 WeakPolarHBondContact O-CG 3.34Å; R82-L86 PolarHBondContact O-N 3.04Å; R82-L86 VanDerWaalsContact O-N 3.09Å; A83-L86 PolarHBondContact O-N 3.03Å; Y84-L86 PolarHBondContact O-N 3.37Å
87	G	98	Very high	98.5	Very high	40 Å²	40	59.3 Å²	59.3	41%	0.412	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	13.9	-174.1	0	0	0	0	0	114.8	A83 Y84 V89	A83-G87 PolarHBondContact O-N 2.85Å; Y84-G87 PolarHBondContact O-N 3.21Å; G87-V89 VanDerWaalsContact C-N 3.34Å
88	L	98.6	Very high	98.6	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-72.8	-31.5	175.9	-178.2	59.2	0	0	0	111.5	V27 A28 F41 L59 A62 I63 A83	V27-L88 HydrophobicContact CG1-CD1 4.46Å; V27-L88 HydrophobicContact CG1-CG 4.48Å; A28-L88 HydrophobicContact CB-CD1 3.78Å; F41-L88 HydrophobicContact CB-CD2 3.85Å; F41-L88 HydrophobicContact CD1-CD2 3.75Å; F41-L88 HydrophobicContact CG-CD2 3.84Å; L59-L88 HydrophobicContact CD2-CD1 4.05Å; A62-L88 HydrophobicContact CB-CD1 4.48Å; I63-L88 HydrophobicContact CG2-CB 3.64Å; I63-L88 HydrophobicContact CG2-CD1 4.39Å; I63-L88 VanDerWaalsContact CG2-N 3.3Å; A83-L88 HydrophobicContact CB-CB 4.1Å; A83-L88 HydrophobicContact CB-CD2 4.18Å; A83-L88 HydrophobicContact CB-CG 4.5Å; A83-L88 WeakPolarHBondContact O-CB 3.31Å; A83-L88 PolarHBondContact O-N 3.05Å
89	V	98.8	Very high	98.6	Very high	3 Å²	3	65 Å²	65	2%	0.018	32%	0.316	C	S	.	.			trans	-129.3	152.1	173.5	-57.7	0	0	0	0	110.2	V27 A33 F41 A83 G87 V92	V27-V89 HydrophobicContact CG1-CG1 4.24Å; A33-V89 HydrophobicContact CB-CB 4.23Å; A33-V89 HydrophobicContact CB-CG1 3.97Å; F41-V89 HydrophobicContact CE1-CG1 4.06Å; F41-V89 HydrophobicContact CE2-CG1 4.47Å; F41-V89 HydrophobicContact CZ-CG1 3.77Å; A83-V89 HydrophobicContact CB-CG1 4.46Å; A83-V89 HydrophobicContact CB-CG2 4.01Å; A83-V89 PolarHBondContact O-N 2.94Å; G87-V89 VanDerWaalsContact C-N 3.34Å; V89-V92 HydrophobicContact CG2-CG2 4.04Å
90	H	98.6	Very high	98.6	Very high	89 Å²	89	67.9 Å²	67.9	41%	0.412	32%	0.324	S	S	.	.	S	Bend	trans	-95.6	-23.4	-176	-62.7	73.7	0	0	0	112.6	A33 Y84 F105	A33-H90 PolarHBondContact N-ND1 3.15Å; A33-H90 WeakPolarHBondContact O-CB 3.34Å; A33-H90 PolarHBondContact O-N 2.96Å; Y84-H90 WeakPolarHBondContact CE2-O 3.3Å; H90-F105 HydrophobicContact CB-CE1 4.04Å; H90-F105 HydrophobicContact CB-CZ 4.1Å
91	R	98.5	Very high	98.6	Very high	64 Å²	64	68.4 Å²	68.4	24%	0.242	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	143.4	-179.8	-63.3	-178.5	-168.8	-168	-0.2	110	A33 I34 S35 F105 E108	A33-R91 PolarHBondContact O-N 3.18Å; I34-R91 WeakPolarHBondContact CA-O 3.5Å; I34-R91 HydrophobicContact CB-CB 4.17Å; I34-R91 HydrophobicContact CD1-CB 3.86Å; I34-R91 HydrophobicContact CG1-CB 3.73Å; S35-R91 PolarHBondContact N-O 3.35Å; R91-F105 HydrophobicContact CG-CE1 4.49Å; R91-F105 VanDerWaalsContact CZ-CD2 3.47Å; R91-E108 IonicContact CZ-OE1 3.24Å; R91-E108 VanDerWaalsContact CZ-OE1 3.24Å; R91-E108 IonicContact CZ-OE2 3.91Å; R91-E108 IonicContact NH1-OE1 2.8Å; R91-E108 PolarHBondContact NH1-OE1 3.21Å; R91-E108 IonicContact NH2-OE1 2.76Å; R91-E108 PolarHBondContact NH2-OE1 2.76Å; R91-E108 IonicContact NH2-OE2 2.78Å; R91-E108 PolarHBondContact NH2-OE2 2.64Å
92	V	98.8	Very high	98.5	Very high	39 Å²	39	65.3 Å²	65.3	24%	0.236	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.3	167.5	-177.4	0	0	0	0	107.1	S35 K37 A80 Y84 V89	S35-V92 WeakPolarHBondContact O-CA 3.4Å; K37-V92 HydrophobicContact CB-CG1 4.32Å; A80-V92 HydrophobicContact CB-CG1 3.75Å; A80-V92 HydrophobicContact CB-CG2 4.03Å; A80-V92 WeakPolarHBondContact O-CG2 3.34Å; Y84-V92 HydrophobicContact CG-CG2 4.43Å; V89-V92 HydrophobicContact CG2-CG2 4.04Å
93	V	98.8	Very high	98.5	Very high	32 Å²	32	64.6 Å²	64.6	19%	0.194	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	161.4	-179	-63	0	0	0	0	110	I34 S35 A36 K37 K97 L98 A101	I34-V93 HydrophobicContact CD1-CG1 4.11Å; I34-V93 HydrophobicContact CD1-CG2 4.07Å; I34-V93 HydrophobicContact CG1-CG2 4.29Å; S35-V93 PolarHBondContact O-N 3.44Å; A36-V93 CarbonylContact C-O 3.51Å; K37-V93 PolarHBondContact N-O 3.2Å; V93-K97 HydrophobicContact CB-CB 4.43Å; V93-L98 HydrophobicContact CG2-CB 4.28Å; V93-L98 HydrophobicContact CG2-CD1 4.13Å; V93-A101 HydrophobicContact CG1-CB 3.95Å; V93-A101 HydrophobicContact CG2-CB 4.2Å
94	E	98.6	Very high	98.5	Very high	99 Å²	99	69.8 Å²	69.8	46%	0.463	34%	0.338	S	S	.	.			trans	-57.6	144.7	169.9	-60.8	-58	143.7	0	0	110.1	K37 D96 K97 L98	K37-E94 WeakPolarHBondContact CD-OE1 3.32Å; K37-E94 IonicContact NZ-OE1 2.74Å; K37-E94 PolarHBondContact NZ-OE1 3.28Å; K37-E94 IonicContact NZ-OE2 3.81Å; E94-D96 WeakPolarHBondContact CB-OD1 3.47Å; E94-D96 PolarHBondContact O-N 2.99Å; E94-K97 HydrophobicContact CB-CG 4.43Å; E94-K97 WeakPolarHBondContact O-CA 3.45Å; E94-K97 WeakPolarHBondContact O-CB 3.46Å; E94-K97 PolarHBondContact O-N 3.14Å; E94-L98 PolarHBondContact O-N 3.43Å
95	D	98.6	Very high	98.5	Very high	64 Å²	64	64.1 Å²	64.1	34%	0.342	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-57.6	-36.5	-168.7	-65.5	8.7	0	0	0	112.7	A36 K37 S38 K97 L98	A36-D95 HydrophobicContact CB-CB 4.31Å; A36-D95 WeakPolarHBondContact CB-OD1 3.46Å; K37-D95 PolarHBondContact N-OD1 2.83Å; S38-D95 WeakPolarHBondContact CB-OD2 3.39Å; S38-D95 PolarHBondContact N-OD1 3.02Å; S38-D95 VanDerWaalsContact OG-CG 3.24Å; S38-D95 PolarHBondContact OG-OD1 3Å; S38-D95 PolarHBondContact OG-OD2 3.47Å; D95-K97 VanDerWaalsContact C-N 3.27Å; D95-K97 PolarHBondContact O-N 2.87Å; D95-L98 PolarHBondContact O-N 2.94Å
96	D	98.3	Very high	98.5	Very high	130 Å²	130	59.6 Å²	59.6	70%	0.695	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-74.9	-13.6	178.9	71	-37.1	0	0	0	113.6	E94	E94-D96 WeakPolarHBondContact CB-OD1 3.47Å; E94-D96 PolarHBondContact O-N 2.99Å
97	K	98.6	Very high	98.5	Very high	99 Å²	99	64.7 Å²	64.7	43%	0.43	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-98.4	-6.6	177.2	-61.8	-54.6	-174	177.2	0	114	V93 E94 D95 Y99 E100 A101	V93-K97 HydrophobicContact CB-CB 4.43Å; E94-K97 HydrophobicContact CB-CG 4.43Å; E94-K97 WeakPolarHBondContact O-CA 3.45Å; E94-K97 WeakPolarHBondContact O-CB 3.46Å; E94-K97 PolarHBondContact O-N 3.14Å; D95-K97 VanDerWaalsContact C-N 3.27Å; D95-K97 PolarHBondContact O-N 2.87Å; K97-Y99 PolarHBondContact O-N 3.05Å; K97-E100 IonicContact NZ-OE2 3.49Å; K97-E100 PolarHBondContact NZ-OE2 2.9Å; K97-E100 PolarHBondContact O-N 3.04Å; K97-A101 WeakPolarHBondContact O-CB 3.38Å; K97-A101 PolarHBondContact O-N 3.04Å
98	L	98.7	Very high	98.4	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-54.5	-47.7	-173.7	179.5	62.6	0	0	0	113.2	S14 N16 I34 A36 V93 E94 D95 S102	S14-L98 WeakPolarHBondContact OG-CD1 3.38Å; S14-L98 WeakPolarHBondContact OG-CG 3.46Å; N16-L98 HydrophobicContact CB-CD2 3.48Å; N16-L98 VanDerWaalsContact CB-CD2 3.48Å; I34-L98 HydrophobicContact CD1-CD1 4.42Å; I34-L98 HydrophobicContact CG1-CD1 3.91Å; I34-L98 HydrophobicContact CG2-CD1 4.14Å; A36-L98 HydrophobicContact CB-CD2 4.06Å; V93-L98 HydrophobicContact CG2-CB 4.28Å; V93-L98 HydrophobicContact CG2-CD1 4.13Å; E94-L98 PolarHBondContact O-N 3.43Å; D95-L98 PolarHBondContact O-N 2.94Å; L98-S102 VanDerWaalsContact O-CB 3.3Å; L98-S102 WeakPolarHBondContact O-CB 3.34Å; L98-S102 PolarHBondContact O-N 3.39Å; L98-S102 PolarHBondContact O-OG 3.29Å
99	Y	98.3	Very high	98.4	Very high	178 Å²	178	67.5 Å²	67.5	70%	0.698	33%	0.325	S	S	*	.	H	α-helix	trans	-64.7	-48.8	-177.7	179.8	-99.4	0	0	0	111.9	K97 A101 S102 I103	K97-Y99 PolarHBondContact O-N 3.05Å; Y99-A101 PolarHBondContact O-N 3.36Å; Y99-S102 PolarHBondContact O-N 3.31Å; Y99-I103 HydrophobicContact CD1-CG1 4.45Å; Y99-I103 HydrophobicContact CE1-CG1 4.02Å; Y99-I103 HydrophobicContact CE2-CD1 4.38Å; Y99-I103 HydrophobicContact CE2-CG1 4.24Å; Y99-I103 WeakPolarHBondContact O-CG1 3.47Å; Y99-I103 PolarHBondContact O-N 3.2Å
100	E	98.6	Very high	98.2	Very high	118 Å²	118	72.5 Å²	72.5	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-56.5	-51.1	178.2	-179.4	177.3	-167.7	0	0	110.9	K97 S102 I103 E104	K97-E100 IonicContact NZ-OE2 3.49Å; K97-E100 PolarHBondContact NZ-OE2 2.9Å; K97-E100 PolarHBondContact O-N 3.04Å; E100-S102 VanDerWaalsContact C-N 3.31Å; E100-S102 PolarHBondContact O-N 2.97Å; E100-I103 PolarHBondContact O-N 3.27Å; E100-E104 PolarHBondContact O-N 3.26Å
101	A	98.6	Very high	98.1	Very high	10 Å²	10	74.9 Å²	74.9	8%	0.083	37%	0.367	C	S	.	.	H	α-helix	trans	-65.5	-32.5	179.6	0	0	0	0	0	112.9	I34 V93 K97 Y99 F105	I34-A101 HydrophobicContact CD1-CB 3.45Å; I34-A101 VanDerWaalsContact CD1-CB 3.45Å; V93-A101 HydrophobicContact CG1-CB 3.95Å; V93-A101 HydrophobicContact CG2-CB 4.2Å; K97-A101 WeakPolarHBondContact O-CB 3.38Å; K97-A101 PolarHBondContact O-N 3.04Å; Y99-A101 PolarHBondContact O-N 3.36Å; A101-F105 WeakPolarHBondContact O-CB 3.43Å; A101-F105 PolarHBondContact O-N 3.06Å
102	S	98.5	Very high	97.9	Very high	15 Å²	15	77 Å²	77	11%	0.105	38%	0.38	C	S	.	.	H	α-helix	trans	-66.5	-42.5	175.5	-59.3	0	0	0	0	111.5	S14 I34 L98 Y99 E100 F105 A106	S14-S102 WeakPolarHBondContact CB-OG 3.44Å; S14-S102 PolarHBondContact OG-OG 3.31Å; I34-S102 VanDerWaalsContact CG2-OG 3.31Å; I34-S102 WeakPolarHBondContact CG2-OG 3.5Å; L98-S102 VanDerWaalsContact O-CB 3.3Å; L98-S102 WeakPolarHBondContact O-CB 3.34Å; L98-S102 PolarHBondContact O-N 3.39Å; L98-S102 PolarHBondContact O-OG 3.29Å; Y99-S102 PolarHBondContact O-N 3.31Å; E100-S102 VanDerWaalsContact C-N 3.31Å; E100-S102 PolarHBondContact O-N 2.97Å; S102-F105 PolarHBondContact O-N 2.98Å; S102-A106 PolarHBondContact O-N 3.47Å
103	I	98.4	Very high	97.6	Very high	68 Å²	68	77.1 Å²	77.1	35%	0.349	38%	0.379	S	S	.	.	H	α-helix	trans	-68.5	-41	176.8	-65.5	-61.5	0	0	0	111	Y99 E100 F105 A106 K107	Y99-I103 HydrophobicContact CD1-CG1 4.45Å; Y99-I103 HydrophobicContact CE1-CG1 4.02Å; Y99-I103 HydrophobicContact CE2-CD1 4.38Å; Y99-I103 HydrophobicContact CE2-CG1 4.24Å; Y99-I103 WeakPolarHBondContact O-CG1 3.47Å; Y99-I103 PolarHBondContact O-N 3.2Å; E100-I103 PolarHBondContact O-N 3.27Å; I103-F105 VanDerWaalsContact C-N 3.34Å; I103-A106 PolarHBondContact O-N 3.41Å; I103-K107 HydrophobicContact CG2-CD 4.3Å; I103-K107 WeakPolarHBondContact O-CG 3.17Å; I103-K107 PolarHBondContact O-N 3.18Å
104	E	98.4	Very high	97.4	Very high	110 Å²	110	82 Å²	82	51%	0.514	40%	0.397	S	S	.	.	H	α-helix	trans	-59.9	-45.4	174.5	-173.4	178.8	-168.3	0	0	111.4	E100 A106 K107 E108	E100-E104 PolarHBondContact O-N 3.26Å; E104-A106 VanDerWaalsContact C-N 3.3Å; E104-A106 PolarHBondContact O-N 3.01Å; E104-K107 WeakPolarHBondContact O-CA 3.33Å; E104-K107 WeakPolarHBondContact O-CB 3.12Å; E104-K107 PolarHBondContact O-N 3.47Å; E104-E108 PolarHBondContact O-N 2.87Å
105	F	97.8	Very high	97.2	Very high	18 Å²	18	81.4 Å²	81.4	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-62.6	-38.4	177.8	-162.4	-174	0	0	0	112.1	I12 L32 H90 R91 A101 S102 I103 E108	I12-F105 HydrophobicContact CD1-CB 4.45Å; I12-F105 HydrophobicContact CD1-CD1 4.5Å; I12-F105 HydrophobicContact CD1-CG 4.36Å; I12-F105 HydrophobicContact CG2-CD1 4.23Å; L32-F105 HydrophobicContact CB-CE1 3.96Å; L32-F105 HydrophobicContact CB-CZ 4.09Å; L32-F105 HydrophobicContact CD1-CE1 4.24Å; L32-F105 HydrophobicContact CD1-CE2 3.87Å; L32-F105 HydrophobicContact CD1-CZ 3.73Å; L32-F105 HydrophobicContact CD2-CZ 3.92Å; L32-F105 HydrophobicContact CG-CE1 4.5Å; L32-F105 HydrophobicContact CG-CZ 4.13Å; H90-F105 HydrophobicContact CB-CE1 4.04Å; H90-F105 HydrophobicContact CB-CZ 4.1Å; R91-F105 HydrophobicContact CG-CE1 4.49Å; R91-F105 VanDerWaalsContact CZ-CD2 3.47Å; A101-F105 WeakPolarHBondContact O-CB 3.43Å; A101-F105 PolarHBondContact O-N 3.06Å; S102-F105 PolarHBondContact O-N 2.98Å; I103-F105 VanDerWaalsContact C-N 3.34Å; F105-E108 PolarHBondContact O-N 3.31Å
106	A	98.1	Very high	97	Very high	34 Å²	34	80.4 Å²	80.4	28%	0.281	39%	0.394	S	S	.	.	H	α-helix	trans	-64.1	-41.1	172.1	0	0	0	0	0	112	I12 S102 I103 E104 E108 I109 T110	I12-A106 HydrophobicContact CD1-CB 4Å; S102-A106 PolarHBondContact O-N 3.47Å; I103-A106 PolarHBondContact O-N 3.41Å; E104-A106 VanDerWaalsContact C-N 3.3Å; E104-A106 PolarHBondContact O-N 3.01Å; A106-E108 VanDerWaalsContact C-N 3.3Å; A106-E108 PolarHBondContact O-N 3.25Å; A106-I109 WeakPolarHBondContact O-CB 3.19Å; A106-I109 PolarHBondContact O-N 3.27Å; A106-T110 WeakPolarHBondContact O-CG2 3.3Å; A106-T110 PolarHBondContact O-N 3.13Å; A106-T110 PolarHBondContact O-OG1 3.37Å
107	K	98.2	Very high	96.9	Very high	136 Å²	136	75.8 Å²	75.8	59%	0.591	37%	0.37	S	S	*	.	H	α-helix	trans	-61	-38	178.1	-77.3	175.2	179.1	177	0	112.7	I103 E104 I109 T110 Q111	I103-K107 HydrophobicContact CG2-CD 4.3Å; I103-K107 WeakPolarHBondContact O-CG 3.17Å; I103-K107 PolarHBondContact O-N 3.18Å; E104-K107 WeakPolarHBondContact O-CA 3.33Å; E104-K107 WeakPolarHBondContact O-CB 3.12Å; E104-K107 PolarHBondContact O-N 3.47Å; K107-I109 PolarHBondContact O-N 3.44Å; K107-T110 WeakPolarHBondContact CA-OG1 3.4Å; K107-T110 PolarHBondContact O-N 3.29Å; K107-T110 PolarHBondContact O-OG1 2.91Å; K107-Q111 PolarHBondContact O-N 3.22Å
108	E	97.6	Very high	96.7	Very high	70 Å²	70	73.6 Å²	73.6	33%	0.327	36%	0.361	S	S	.	.	H	α-helix	trans	-58.7	-27.4	175.2	-71.8	173.4	-134.9	0	0	112.9	R91 E104 F105 A106 Q111 H112	R91-E108 IonicContact CZ-OE1 3.24Å; R91-E108 VanDerWaalsContact CZ-OE1 3.24Å; R91-E108 IonicContact CZ-OE2 3.91Å; R91-E108 IonicContact NH1-OE1 2.8Å; R91-E108 PolarHBondContact NH1-OE1 3.21Å; R91-E108 IonicContact NH2-OE1 2.76Å; R91-E108 PolarHBondContact NH2-OE1 2.76Å; R91-E108 IonicContact NH2-OE2 2.78Å; R91-E108 PolarHBondContact NH2-OE2 2.64Å; E104-E108 PolarHBondContact O-N 2.87Å; F105-E108 PolarHBondContact O-N 3.31Å; A106-E108 VanDerWaalsContact C-N 3.3Å; A106-E108 PolarHBondContact O-N 3.25Å; E108-Q111 VanDerWaalsContact O-CG 3.26Å; E108-Q111 WeakPolarHBondContact O-CG 3.42Å; E108-Q111 PolarHBondContact O-NE2 2.92Å; E108-H112 PolarHBondContact O-CD2 3.46Å; E108-H112 VanDerWaalsContact O-CD2 3.27Å; E108-H112 PolarHBondContact O-NE2 3.04Å
109	I	96.8	Very high	96.5	Very high	33 Å²	33	74.9 Å²	74.9	17%	0.169	37%	0.368	C	S	.	.	H	α-helix	trans	-88	-46.1	176.3	-56.7	168.2	0	0	0	110.1	P10 I12 L32 A106 K107 Q111 H112 V117	P10-I109 HydrophobicContact CB-CD1 4.36Å; P10-I109 HydrophobicContact CG-CG2 4.06Å; I12-I109 HydrophobicContact CD1-CD1 3.94Å; I12-I109 HydrophobicContact CG1-CD1 4.46Å; L32-I109 HydrophobicContact CD1-CD1 3.42Å; L32-I109 VanDerWaalsContact CD1-CD1 3.42Å; L32-I109 HydrophobicContact CD1-CG1 4.42Å; A106-I109 WeakPolarHBondContact O-CB 3.19Å; A106-I109 PolarHBondContact O-N 3.27Å; K107-I109 PolarHBondContact O-N 3.44Å; I109-Q111 PolarHBondContact O-N 2.94Å; I109-H112 WeakPolarHBondContact O-CB 3.4Å; I109-H112 PolarHBondContact O-N 3.24Å; I109-V117 HydrophobicContact CG2-CG1 3.97Å; I109-V117 HydrophobicContact CG2-CG2 4.47Å
110	T	96.5	Very high	96.4	Very high	109 Å²	109	68 Å²	68	67%	0.669	35%	0.35	S	S	*	.	H	α-helix	trans	-72.3	-10.7	-173.6	59.3	0	0	0	0	114.1	A106 K107 H112	A106-T110 WeakPolarHBondContact O-CG2 3.3Å; A106-T110 PolarHBondContact O-N 3.13Å; A106-T110 PolarHBondContact O-OG1 3.37Å; K107-T110 WeakPolarHBondContact CA-OG1 3.4Å; K107-T110 PolarHBondContact O-N 3.29Å; K107-T110 PolarHBondContact O-OG1 2.91Å; T110-H112 PolarHBondContact O-N 3.47Å
111	Q	95.1	Very high	96.2	Very high	138 Å²	138	63.4 Å²	63.4	65%	0.645	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-14.9	168.8	68.5	-176.5	-24.8	0	0	113.1	K107 E108 I109	K107-Q111 PolarHBondContact O-N 3.22Å; E108-Q111 VanDerWaalsContact O-CG 3.26Å; E108-Q111 WeakPolarHBondContact O-CG 3.42Å; E108-Q111 PolarHBondContact O-NE2 2.92Å; I109-Q111 PolarHBondContact O-N 2.94Å
112	H	94.4	Very high	96	Very high	110 Å²	110	66.2 Å²	66.2	51%	0.509	34%	0.34	S	S	.	.	S	Bend	trans	-93.2	158.4	176.7	-58	-55.9	0	0	0	111.4	E108 I109 T110 K114 V117	E108-H112 PolarHBondContact O-CD2 3.46Å; E108-H112 VanDerWaalsContact O-CD2 3.27Å; E108-H112 PolarHBondContact O-NE2 3.04Å; I109-H112 WeakPolarHBondContact O-CB 3.4Å; I109-H112 PolarHBondContact O-N 3.24Å; T110-H112 PolarHBondContact O-N 3.47Å; H112-K114 PolarHBondContact O-N 2.87Å; H112-V117 HydrophobicContact CB-CG2 3.75Å
113	N	93.8	Very high	95.9	Very high	40 Å²	40	66.4 Å²	66.4	21%	0.214	34%	0.34	C	S	.	.			trans	-61.5	129.9	175.8	169.8	-81.4	0	0	0	110.4	D115 V116 V117 D151	N113-D115 PolarHBondContact O-N 2.8Å; N113-D115 WeakPolarHBondContact OD1-CA 3.32Å; N113-D115 WeakPolarHBondContact OD1-CB 3.48Å; N113-D115 PolarHBondContact OD1-N 3.29Å; N113-V116 HydrophobicContact CB-CB 4.27Å; N113-V116 HydrophobicContact CB-CG2 4.06Å; N113-V116 PolarHBondContact O-N 2.94Å; N113-V116 WeakPolarHBondContact OD1-CG2 3.4Å; N113-V116 PolarHBondContact OD1-N 2.82Å; N113-V117 WeakPolarHBondContact O-CG2 3.4Å; N113-V117 PolarHBondContact O-N 3.01Å; N113-D151 HydrophobicContact CB-CB 4.37Å; N113-D151 PolarHBondContact ND2-OD2 3.22Å
114	K	94.4	Very high	95.7	Very high	134 Å²	134	68.3 Å²	68.3	58%	0.583	35%	0.351	S	S	*	.	H	α-helix	trans	-58.2	-43.9	-176.8	-179.7	-175.3	171.7	-171.4	0	112.8	H112 V117 Q118	H112-K114 PolarHBondContact O-N 2.87Å; K114-V117 PolarHBondContact O-N 2.78Å; K114-Q118 WeakPolarHBondContact O-CB 3.4Å; K114-Q118 PolarHBondContact O-N 2.76Å
115	D	93.5	Very high	95.4	Very high	88 Å²	88	67.5 Å²	67.5	47%	0.471	35%	0.347	S	S	.	.	H	α-helix	trans	-67.9	-37.9	-176.7	-57.4	-30.4	0	0	0	111.2	N113 L119 L149	N113-D115 PolarHBondContact O-N 2.8Å; N113-D115 WeakPolarHBondContact OD1-CA 3.32Å; N113-D115 WeakPolarHBondContact OD1-CB 3.48Å; N113-D115 PolarHBondContact OD1-N 3.29Å; D115-L119 WeakPolarHBondContact O-CB 3.34Å; D115-L119 PolarHBondContact O-N 2.87Å; D115-L149 HydrophobicContact CB-CD1 4.3Å
116	V	95.3	Very high	95.1	Very high	43 Å²	43	72.3 Å²	72.3	26%	0.261	37%	0.368	S	S	.	.	H	α-helix	trans	-63.6	-46.9	173.8	172.8	0	0	0	0	110.7	N113 L119 G120 L149 T152	N113-V116 HydrophobicContact CB-CB 4.27Å; N113-V116 HydrophobicContact CB-CG2 4.06Å; N113-V116 PolarHBondContact O-N 2.94Å; N113-V116 WeakPolarHBondContact OD1-CG2 3.4Å; N113-V116 PolarHBondContact OD1-N 2.82Å; V116-L119 PolarHBondContact O-N 3.13Å; V116-G120 PolarHBondContact O-N 2.97Å; V116-L149 HydrophobicContact CG2-CD1 3.79Å; V116-T152 WeakPolarHBondContact CG2-OG1 3.29Å
117	V	95.8	Very high	95	Very high	32 Å²	32	73.6 Å²	73.6	19%	0.194	37%	0.368	C	S	.	.	H	α-helix	trans	-62.4	-45.5	178	171.7	0	0	0	0	111	P10 I109 H112 N113 K114 G120 R121	P10-V117 HydrophobicContact CG-CG1 3.48Å; P10-V117 VanDerWaalsContact CG-CG1 3.48Å; I109-V117 HydrophobicContact CG2-CG1 3.97Å; I109-V117 HydrophobicContact CG2-CG2 4.47Å; H112-V117 HydrophobicContact CB-CG2 3.75Å; N113-V117 WeakPolarHBondContact O-CG2 3.4Å; N113-V117 PolarHBondContact O-N 3.01Å; K114-V117 PolarHBondContact O-N 2.78Å; V117-G120 PolarHBondContact O-N 3.37Å; V117-R121 WeakPolarHBondContact O-CB 3.14Å; V117-R121 PolarHBondContact O-N 3.08Å
118	Q	94.5	Very high	94.8	Very high	53 Å²	53	70.8 Å²	70.8	25%	0.248	37%	0.37	C	S	.	.	H	α-helix	trans	-62	-49.3	178.2	177.3	172.8	-11.5	0	0	111.3	P8 K114 G120 R121 E122	P8-Q118 VanDerWaalsContact O-CG 3.3Å; P8-Q118 WeakPolarHBondContact O-CG 3.39Å; K114-Q118 WeakPolarHBondContact O-CB 3.4Å; K114-Q118 PolarHBondContact O-N 2.76Å; Q118-G120 VanDerWaalsContact C-N 3.33Å; Q118-G120 PolarHBondContact O-N 3.02Å; Q118-R121 PolarHBondContact O-N 3.12Å; Q118-E122 HydrophobicContact CG-CG 4.44Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.18Å; Q118-E122 PolarHBondContact NE2-OE1 2.93Å; Q118-E122 WeakPolarHBondContact O-CB 3.43Å; Q118-E122 WeakPolarHBondContact O-CG 3.44Å; Q118-E122 PolarHBondContact O-N 3.42Å
119	L	94.8	Very high	94.4	Very high	36 Å²	36	72.7 Å²	72.7	19%	0.188	39%	0.391	C	S	.	.	H	α-helix	trans	-58.1	-45.2	177.8	177.9	63.3	0	0	0	111.7	D115 V116 T123 A142 K145 N146	D115-L119 WeakPolarHBondContact O-CB 3.34Å; D115-L119 PolarHBondContact O-N 2.87Å; V116-L119 PolarHBondContact O-N 3.13Å; L119-T123 VanDerWaalsContact O-CB 3.31Å; L119-T123 WeakPolarHBondContact O-CB 3.11Å; L119-T123 PolarHBondContact O-N 3.18Å; L119-T123 PolarHBondContact O-OG1 3.47Å; L119-A142 HydrophobicContact CD1-CB 4.29Å; L119-K145 HydrophobicContact CD2-CB 4.37Å; L119-N146 HydrophobicContact CD2-CB 3.66Å
120	G	95.6	Very high	94.4	Very high	32 Å²	32	74.4 Å²	74.4	33%	0.33	40%	0.399	S	S	.	.	H	α-helix	trans	-61.5	-48.8	177.4	0	0	0	0	0	112.3	V116 V117 Q118 T123 L124	V116-G120 PolarHBondContact O-N 2.97Å; V117-G120 PolarHBondContact O-N 3.37Å; Q118-G120 VanDerWaalsContact C-N 3.33Å; Q118-G120 PolarHBondContact O-N 3.02Å; G120-T123 PolarHBondContact O-N 3.45Å; G120-L124 WeakPolarHBondContact O-CG 3.44Å; G120-L124 PolarHBondContact O-N 3.22Å
121	R	95	Very high	94.4	Very high	23 Å²	23	73.3 Å²	73.3	9%	0.087	39%	0.394	C	S	.	.	H	α-helix	trans	-60.1	-48.8	178.3	-179.9	-178	176.7	-77.3	-1.8	112	L4 A5 F7 D31 V117 Q118 T123 L124 H125	L4-R121 PolarHBondContact O-NH2 3.18Å; A5-R121 PolarHBondContact O-NH1 3.38Å; A5-R121 VanDerWaalsContact O-NH1 3.15Å; A5-R121 PolarHBondContact O-NH2 3.4Å; F7-R121 PolarHBondContact O-NH1 2.82Å; D31-R121 IonicContact OD1-CZ 3.46Å; D31-R121 IonicContact OD1-NE 2.94Å; D31-R121 PolarHBondContact OD1-NE 3.48Å; D31-R121 IonicContact OD1-NH2 3.28Å; D31-R121 PolarHBondContact OD1-NH2 2.87Å; D31-R121 IonicContact OD2-CZ 3.48Å; D31-R121 IonicContact OD2-NE 2.87Å; D31-R121 PolarHBondContact OD2-NE 3.47Å; D31-R121 IonicContact OD2-NH2 3.2Å; D31-R121 PolarHBondContact OD2-NH2 3.26Å; V117-R121 WeakPolarHBondContact O-CB 3.14Å; V117-R121 PolarHBondContact O-N 3.08Å; Q118-R121 PolarHBondContact O-N 3.12Å; R121-T123 VanDerWaalsContact C-N 3.29Å; R121-T123 PolarHBondContact O-N 3.5Å; R121-L124 PolarHBondContact O-N 3.04Å; R121-H125 PolarHBondContact O-CD2 2.78Å; R121-H125 VanDerWaalsContact O-CD2 3.27Å; R121-H125 PolarHBondContact O-N 3.22Å
122	E	93.6	Very high	94.5	Very high	68 Å²	68	72.5 Å²	72.5	32%	0.318	39%	0.393	S	S	.	.	H	α-helix	trans	-61.1	-40.3	178.3	-73.5	179.6	-160.9	0	0	112	Q118 H125 K126	Q118-E122 HydrophobicContact CG-CG 4.44Å; Q118-E122 WeakPolarHBondContact CG-OE1 3.18Å; Q118-E122 PolarHBondContact NE2-OE1 2.93Å; Q118-E122 WeakPolarHBondContact O-CB 3.43Å; Q118-E122 WeakPolarHBondContact O-CG 3.44Å; Q118-E122 PolarHBondContact O-N 3.42Å; E122-H125 PolarHBondContact O-N 3.04Å; E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 3.24Å; E122-K126 VanDerWaalsContact O-N 3.1Å
123	T	95.5	Very high	94.7	Very high	20 Å²	20	74 Å²	74	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-63.5	-45.4	177.6	-58.4	0	0	0	0	110.6	L119 G120 R121 H125 K126 Q127 I138 A139 A142	L119-T123 VanDerWaalsContact O-CB 3.31Å; L119-T123 WeakPolarHBondContact O-CB 3.11Å; L119-T123 PolarHBondContact O-N 3.18Å; L119-T123 PolarHBondContact O-OG1 3.47Å; G120-T123 PolarHBondContact O-N 3.45Å; R121-T123 VanDerWaalsContact C-N 3.29Å; R121-T123 PolarHBondContact O-N 3.5Å; T123-H125 PolarHBondContact O-N 2.94Å; T123-K126 PolarHBondContact O-N 3.23Å; T123-Q127 WeakPolarHBondContact O-CB 3.35Å; T123-Q127 WeakPolarHBondContact O-CG 3.28Å; T123-Q127 PolarHBondContact O-N 3.3Å; T123-I138 HydrophobicContact CG2-CG2 4.27Å; T123-A139 HydrophobicContact CG2-CB 4.45Å; T123-A142 HydrophobicContact CG2-CB 3.7Å; T123-A142 WeakPolarHBondContact OG1-CB 3.47Å
124	L	94.8	Very high	94.9	Very high	108 Å²	108	75.9 Å²	75.9	57%	0.565	41%	0.412	S	S	*	.	H	α-helix	trans	-59	-47	177.3	-75.1	172.5	0	0	0	112.2	G120 R121 K126 Q127 A128	G120-L124 WeakPolarHBondContact O-CG 3.44Å; G120-L124 PolarHBondContact O-N 3.22Å; R121-L124 PolarHBondContact O-N 3.04Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 3.3Å; L124-Q127 PolarHBondContact O-NE2 2.96Å; L124-A128 VanDerWaalsContact O-CB 3.26Å; L124-A128 WeakPolarHBondContact O-CB 3.36Å; L124-A128 PolarHBondContact O-N 3.08Å; L124-A128 VanDerWaalsContact O-N 3.14Å
125	H	91.9	Very high	95.1	Very high	92 Å²	92	70 Å²	70	43%	0.426	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-39.7	178.6	-80.2	-58.2	0	0	0	112.6	D31 R121 E122 T123	D31-H125 IonicContact OD1-CE1 3.67Å; D31-H125 IonicContact OD1-NE2 3.02Å; D31-H125 PolarHBondContact OD1-NE2 3.48Å; R121-H125 PolarHBondContact O-CD2 2.78Å; R121-H125 VanDerWaalsContact O-CD2 3.27Å; R121-H125 PolarHBondContact O-N 3.22Å; E122-H125 PolarHBondContact O-N 3.04Å; T123-H125 PolarHBondContact O-N 2.94Å
126	K	92.9	Very high	95.3	Very high	120 Å²	120	72.6 Å²	72.6	52%	0.522	39%	0.392	S	S	.	.	H	α-helix	trans	-67.9	-53.8	178.1	-72.1	170.9	-175.3	168.6	0	111.5	E122 T123 L124 A128 M130 I138	E122-K126 WeakPolarHBondContact O-CG 3.4Å; E122-K126 PolarHBondContact O-N 3.24Å; E122-K126 VanDerWaalsContact O-N 3.1Å; T123-K126 PolarHBondContact O-N 3.23Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-K126 PolarHBondContact O-N 3.3Å; K126-A128 VanDerWaalsContact C-N 3.33Å; K126-A128 PolarHBondContact O-N 3.28Å; K126-M130 WeakPolarHBondContact O-CG 3.37Å; K126-I138 HydrophobicContact CB-CG2 4.46Å
127	Q	95.6	Very high	95.4	Very high	61 Å²	61	73.1 Å²	73.1	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-68.7	-29.8	-171.4	70.8	75.6	24.4	0	0	113.3	T123 L124 S129 M130 A135	T123-Q127 WeakPolarHBondContact O-CB 3.35Å; T123-Q127 WeakPolarHBondContact O-CG 3.28Å; T123-Q127 PolarHBondContact O-N 3.3Å; L124-Q127 PolarHBondContact O-NE2 2.96Å; Q127-S129 PolarHBondContact O-N 3.49Å; Q127-M130 WeakPolarHBondContact O-CB 3.33Å; Q127-M130 PolarHBondContact O-N 3.38Å; Q127-A135 HydrophobicContact CB-CB 3.95Å
128	A	93.1	Very high	95.5	Very high	76 Å²	76	74.4 Å²	74.4	63%	0.628	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.9	-170.4	0	0	0	0	0	115	L124 K126	L124-A128 VanDerWaalsContact O-CB 3.26Å; L124-A128 WeakPolarHBondContact O-CB 3.36Å; L124-A128 PolarHBondContact O-N 3.08Å; L124-A128 VanDerWaalsContact O-N 3.14Å; K126-A128 VanDerWaalsContact C-N 3.33Å; K126-A128 PolarHBondContact O-N 3.28Å
129	S	90.3	Very high	95.6	Very high	110 Å²	110	73.7 Å²	73.7	77%	0.769	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	7.5	178.8	62.7	0	0	0	0	114	Q127	Q127-S129 PolarHBondContact O-N 3.49Å
130	M	95.2	Very high	95.8	Very high	70 Å²	70	75.2 Å²	75.2	35%	0.345	42%	0.423	S	S	.	.	S	Bend	trans	-97.7	155.4	-175	-62.8	177.6	81.3	0	0	112.2	K126 Q127 D134 A135 I138	K126-M130 WeakPolarHBondContact O-CG 3.37Å; Q127-M130 WeakPolarHBondContact O-CB 3.33Å; Q127-M130 PolarHBondContact O-N 3.38Å; M130-D134 HydrophobicContact CB-CB 4.3Å; M130-D134 HydrophobicContact CE-CB 3.49Å; M130-D134 VanDerWaalsContact CE-CB 3.49Å; M130-A135 HydrophobicContact CB-CB 4.24Å; M130-I138 HydrophobicContact CE-CG1 3.89Å; M130-I138 HydrophobicContact SD-CG1 4Å
131	P	97.6	Very high	95.9	Very high	86 Å²	86	78.1 Å²	78.1	56%	0.558	43%	0.431	S	S	*	.			trans	-55.6	148.8	163.1	-22.8	34.3	0	0	0	111.4	M133 D134 A135	P131-M133 VanDerWaalsContact C-N 3.3Å; P131-M133 PolarHBondContact O-N 2.97Å; P131-M133 VanDerWaalsContact O-N 3.15Å; P131-D134 WeakPolarHBondContact CD-OD2 3.49Å; P131-D134 WeakPolarHBondContact CG-OD2 3.48Å; P131-D134 PolarHBondContact O-N 3.25Å; P131-A135 PolarHBondContact O-N 2.81Å
132	L	97.6	Very high	96	Very high	121 Å²	121	77.6 Å²	77.6	63%	0.634	43%	0.432	S	S	*	.	H	α-helix	trans	-52.7	-43.6	-170.4	-176.2	63.3	0	0	0	113.8	A135 Y136	L132-A135 WeakPolarHBondContact O-CB 3.47Å; L132-A135 PolarHBondContact O-N 2.91Å; L132-Y136 HydrophobicContact CD1-CD2 3.97Å; L132-Y136 HydrophobicContact CD1-CE2 3.46Å; L132-Y136 VanDerWaalsContact CD1-CE2 3.46Å; L132-Y136 HydrophobicContact CD2-CE2 4.23Å; L132-Y136 HydrophobicContact CG-CD2 3.92Å; L132-Y136 HydrophobicContact CG-CE2 3.66Å; L132-Y136 WeakPolarHBondContact O-CD2 3.29Å; L132-Y136 PolarHBondContact O-N 3.28Å
133	M	97.9	Very high	96.2	Very high	140 Å²	140	80.5 Å²	80.5	69%	0.69	45%	0.447	S	S	*	.	H	α-helix	trans	-68.1	-38.6	-178.6	-65.6	-53.8	-56	0	0	112.4	P131 Y136 A137	P131-M133 VanDerWaalsContact C-N 3.3Å; P131-M133 PolarHBondContact O-N 2.97Å; P131-M133 VanDerWaalsContact O-N 3.15Å; M133-Y136 PolarHBondContact O-N 2.84Å; M133-A137 PolarHBondContact O-N 2.83Å
134	D	97.7	Very high	96.3	Very high	81 Å²	81	83.8 Å²	83.8	43%	0.433	47%	0.467	S	S	.	.	H	α-helix	trans	-71.8	-36.3	177.8	-53.8	-37.2	0	0	0	111	M130 P131 A137 I138	M130-D134 HydrophobicContact CB-CB 4.3Å; M130-D134 HydrophobicContact CE-CB 3.49Å; M130-D134 VanDerWaalsContact CE-CB 3.49Å; P131-D134 WeakPolarHBondContact CD-OD2 3.49Å; P131-D134 WeakPolarHBondContact CG-OD2 3.48Å; P131-D134 PolarHBondContact O-N 3.25Å; D134-A137 PolarHBondContact O-N 2.89Å; D134-I138 PolarHBondContact O-N 3.43Å; D134-I138 VanDerWaalsContact O-N 3.08Å
135	A	98	Very high	96.4	Very high	10 Å²	10	85 Å²	85	8%	0.083	47%	0.468	C	S	.	.	H	α-helix	trans	-59.2	-45.3	172.8	0	0	0	0	0	111.4	Q127 M130 P131 L132 A139	Q127-A135 HydrophobicContact CB-CB 3.95Å; M130-A135 HydrophobicContact CB-CB 4.24Å; P131-A135 PolarHBondContact O-N 2.81Å; L132-A135 WeakPolarHBondContact O-CB 3.47Å; L132-A135 PolarHBondContact O-N 2.91Å; A135-A139 WeakPolarHBondContact O-CB 3.46Å; A135-A139 PolarHBondContact O-N 3.17Å
136	Y	98.1	Very high	96.7	Very high	142 Å²	142	82.3 Å²	82.3	56%	0.557	46%	0.456	S	S	*	.	H	α-helix	trans	-64.4	-41.7	175	-82	-59.4	0	0	0	112.8	L132 M133 I138 A139 S140	L132-Y136 HydrophobicContact CD1-CD2 3.97Å; L132-Y136 HydrophobicContact CD1-CE2 3.46Å; L132-Y136 VanDerWaalsContact CD1-CE2 3.46Å; L132-Y136 HydrophobicContact CD2-CE2 4.23Å; L132-Y136 HydrophobicContact CG-CD2 3.92Å; L132-Y136 HydrophobicContact CG-CE2 3.66Å; L132-Y136 WeakPolarHBondContact O-CD2 3.29Å; L132-Y136 PolarHBondContact O-N 3.28Å; M133-Y136 PolarHBondContact O-N 2.84Å; Y136-I138 PolarHBondContact O-N 3.13Å; Y136-A139 PolarHBondContact O-N 2.98Å; Y136-S140 WeakPolarHBondContact O-CB 3.49Å; Y136-S140 PolarHBondContact O-N 3.25Å; Y136-S140 PolarHBondContact O-OG 2.85Å; Y136-S140 VanDerWaalsContact O-OG 3.12Å
137	A	97.7	Very high	96.9	Very high	54 Å²	54	80 Å²	80	45%	0.446	45%	0.45	S	S	.	.	H	α-helix	trans	-58.1	-48.9	177.9	0	0	0	0	0	111.6	M133 D134 A139 S140 D141	M133-A137 PolarHBondContact O-N 2.83Å; D134-A137 PolarHBondContact O-N 2.89Å; A137-A139 PolarHBondContact O-N 2.98Å; A137-S140 PolarHBondContact O-N 3.09Å; A137-D141 PolarHBondContact O-N 3.43Å
138	I	97.2	Very high	96.9	Very high	59 Å²	59	82.8 Å²	82.8	30%	0.303	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-41.1	177.6	-67.3	-65.6	0	0	0	111.8	T123 K126 M130 D134 Y136 D141 A142	T123-I138 HydrophobicContact CG2-CG2 4.27Å; K126-I138 HydrophobicContact CB-CG2 4.46Å; M130-I138 HydrophobicContact CE-CG1 3.89Å; M130-I138 HydrophobicContact SD-CG1 4Å; D134-I138 PolarHBondContact O-N 3.43Å; D134-I138 VanDerWaalsContact O-N 3.08Å; Y136-I138 PolarHBondContact O-N 3.13Å; I138-D141 PolarHBondContact O-N 3.01Å; I138-A142 WeakPolarHBondContact O-CB 3.46Å; I138-A142 PolarHBondContact O-N 2.88Å
139	A	97.9	Very high	96.9	Very high	38 Å²	38	81.5 Å²	81.5	31%	0.314	45%	0.445	S	S	.	.	H	α-helix	trans	-66.1	-40	178.4	0	0	0	0	0	112.5	T123 A135 Y136 A137 A142 M143	T123-A139 HydrophobicContact CG2-CB 4.45Å; A135-A139 WeakPolarHBondContact O-CB 3.46Å; A135-A139 PolarHBondContact O-N 3.17Å; Y136-A139 PolarHBondContact O-N 2.98Å; A137-A139 PolarHBondContact O-N 2.98Å; A139-A142 PolarHBondContact O-N 3.23Å; A139-M143 PolarHBondContact O-N 3.47Å
140	S	98.1	Very high	97	Very high	68 Å²	68	81.8 Å²	81.8	48%	0.476	44%	0.438	S	S	.	.	H	α-helix	trans	-64.4	-44.6	175.6	-68.2	0	0	0	0	111.9	Y136 A137 A142 M143 V144	Y136-S140 WeakPolarHBondContact O-CB 3.49Å; Y136-S140 PolarHBondContact O-N 3.25Å; Y136-S140 PolarHBondContact O-OG 2.85Å; Y136-S140 VanDerWaalsContact O-OG 3.12Å; A137-S140 PolarHBondContact O-N 3.09Å; S140-A142 VanDerWaalsContact C-N 3.32Å; S140-A142 PolarHBondContact O-N 3.19Å; S140-M143 WeakPolarHBondContact O-CB 3.3Å; S140-M143 PolarHBondContact O-N 3.45Å; S140-V144 WeakPolarHBondContact O-CG2 3.29Å; S140-V144 PolarHBondContact O-N 2.95Å
141	D	97.6	Very high	96.8	Very high	93 Å²	93	81.9 Å²	81.9	50%	0.497	44%	0.439	S	S	.	.	H	α-helix	trans	-61.3	-41.6	175.6	-79.2	-7.7	0	0	0	111.9	A137 I138 M143 V144 K145	A137-D141 PolarHBondContact O-N 3.43Å; I138-D141 PolarHBondContact O-N 3.01Å; D141-M143 VanDerWaalsContact C-N 3.34Å; D141-V144 PolarHBondContact O-N 2.99Å; D141-K145 VanDerWaalsContact O-CG 3.32Å; D141-K145 WeakPolarHBondContact O-CG 3.47Å; D141-K145 PolarHBondContact O-N 3.28Å
142	A	97.6	Very high	96.7	Very high	12 Å²	12	78.5 Å²	78.5	10%	0.099	42%	0.418	C	S	.	.	H	α-helix	trans	-61.9	-42	175	0	0	0	0	0	111.5	L119 T123 I138 A139 S140 K145 N146	L119-A142 HydrophobicContact CD1-CB 4.29Å; T123-A142 HydrophobicContact CG2-CB 3.7Å; T123-A142 WeakPolarHBondContact OG1-CB 3.47Å; I138-A142 WeakPolarHBondContact O-CB 3.46Å; I138-A142 PolarHBondContact O-N 2.88Å; A139-A142 PolarHBondContact O-N 3.23Å; S140-A142 VanDerWaalsContact C-N 3.32Å; S140-A142 PolarHBondContact O-N 3.19Å; A142-K145 PolarHBondContact O-N 3.08Å; A142-N146 WeakPolarHBondContact O-CB 3.29Å; A142-N146 PolarHBondContact O-N 3.11Å
143	M	97.9	Very high	96.5	Very high	129 Å²	129	77.2 Å²	77.2	64%	0.635	41%	0.407	S	S	*	.	H	α-helix	trans	-61.4	-45.6	176.3	-173.4	178.4	-176.8	0	0	112	A139 S140 D141 K145 N146 L147	A139-M143 PolarHBondContact O-N 3.47Å; S140-M143 WeakPolarHBondContact O-CB 3.3Å; S140-M143 PolarHBondContact O-N 3.45Å; D141-M143 VanDerWaalsContact C-N 3.34Å; M143-K145 VanDerWaalsContact C-N 3.35Å; M143-K145 PolarHBondContact O-N 3.29Å; M143-N146 WeakPolarHBondContact O-CB 3.22Å; M143-N146 PolarHBondContact O-N 3.07Å; M143-L147 WeakPolarHBondContact O-CG 3.27Å; M143-L147 PolarHBondContact O-N 3.36Å
144	V	97.8	Very high	96.2	Very high	89 Å²	89	76.4 Å²	76.4	54%	0.539	40%	0.401	S	S	.	.	H	α-helix	trans	-61	-44.1	176.7	173.8	0	0	0	0	110.9	S140 D141 L147 Q148	S140-V144 WeakPolarHBondContact O-CG2 3.29Å; S140-V144 PolarHBondContact O-N 2.95Å; D141-V144 PolarHBondContact O-N 2.99Å; V144-L147 PolarHBondContact O-N 3.17Å; V144-Q148 PolarHBondContact O-N 3.47Å
145	K	96.6	Very high	96	Very high	134 Å²	134	76.6 Å²	76.6	58%	0.583	41%	0.408	S	S	*	.	H	α-helix	trans	-60.9	-44.2	174.9	-72.1	171.5	-174	173.1	0	111.8	L119 D141 A142 M143 L147 Q148	L119-K145 HydrophobicContact CD2-CB 4.37Å; D141-K145 VanDerWaalsContact O-CG 3.32Å; D141-K145 WeakPolarHBondContact O-CG 3.47Å; D141-K145 PolarHBondContact O-N 3.28Å; A142-K145 PolarHBondContact O-N 3.08Å; M143-K145 VanDerWaalsContact C-N 3.35Å; M143-K145 PolarHBondContact O-N 3.29Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 3.37Å; K145-Q148 WeakPolarHBondContact O-CB 3.48Å; K145-Q148 PolarHBondContact O-N 3.41Å
146	N	97.5	Very high	95.8	Very high	35 Å²	35	79.7 Å²	79.7	19%	0.187	42%	0.422	C	S	.	.	H	α-helix	trans	-59.4	-43.3	178.5	-162.1	102.4	0	0	0	111.2	L119 A142 M143 Q148 L149 T152	L119-N146 HydrophobicContact CD2-CB 3.66Å; A142-N146 WeakPolarHBondContact O-CB 3.29Å; A142-N146 PolarHBondContact O-N 3.11Å; M143-N146 WeakPolarHBondContact O-CB 3.22Å; M143-N146 PolarHBondContact O-N 3.07Å; N146-Q148 PolarHBondContact O-N 2.9Å; N146-L149 WeakPolarHBondContact O-CB 3.39Å; N146-L149 WeakPolarHBondContact O-CG 3.39Å; N146-L149 PolarHBondContact O-N 3.37Å; N146-L149 VanDerWaalsContact O-N 3.07Å; N146-T152 WeakPolarHBondContact ND2-CG2 3.36Å; N146-T152 PolarHBondContact ND2-OG1 2.78Å; N146-T152 VanDerWaalsContact O-CB 3.24Å; N146-T152 WeakPolarHBondContact O-CB 3.1Å; N146-T152 WeakPolarHBondContact O-CG2 3.44Å; N146-T152 PolarHBondContact O-OG1 2.99Å
147	L	97.2	Very high	95.6	Very high	73 Å²	73	77.6 Å²	77.6	38%	0.382	42%	0.418	S	S	.	.	H	α-helix	trans	-62.6	-19.9	176.7	-71.3	172.5	0	0	0	113.6	M143 V144 K145 T152 K153 I156	M143-L147 WeakPolarHBondContact O-CG 3.27Å; M143-L147 PolarHBondContact O-N 3.36Å; V144-L147 PolarHBondContact O-N 3.17Å; K145-L147 VanDerWaalsContact C-N 3.31Å; K145-L147 PolarHBondContact O-N 3.37Å; L147-T152 HydrophobicContact CD2-CG2 4.45Å; L147-K153 WeakPolarHBondContact O-CE 3.26Å; L147-K153 WeakPolarHBondContact O-CG 3.45Å; L147-I156 HydrophobicContact CD2-CD1 3.75Å
148	Q	95.8	Very high	95.4	Very high	118 Å²	118	78.2 Å²	78.2	55%	0.551	42%	0.419	S	S	*	.	H	α-helix	trans	-83.2	-16.3	175.5	-62.6	-52.1	-33.5	0	0	113.9	V144 K145 N146 K153	V144-Q148 PolarHBondContact O-N 3.47Å; K145-Q148 WeakPolarHBondContact O-CB 3.48Å; K145-Q148 PolarHBondContact O-N 3.41Å; N146-Q148 PolarHBondContact O-N 2.9Å; Q148-K153 PolarHBondContact O-NZ 2.55Å
149	L	94.7	Very high	95.3	Very high	49 Å²	49	82.7 Å²	82.7	26%	0.257	44%	0.436	S	S	.	.	S	Bend	trans	-65.1	133.9	178	-60	176.6	0	0	0	110.9	D115 V116 N146 D151 T152 K153	D115-L149 HydrophobicContact CB-CD1 4.3Å; V116-L149 HydrophobicContact CG2-CD1 3.79Å; N146-L149 WeakPolarHBondContact O-CB 3.39Å; N146-L149 WeakPolarHBondContact O-CG 3.39Å; N146-L149 PolarHBondContact O-N 3.37Å; N146-L149 VanDerWaalsContact O-N 3.07Å; L149-D151 VanDerWaalsContact C-N 3.34Å; L149-D151 PolarHBondContact O-N 2.95Å; L149-T152 WeakPolarHBondContact O-CB 3.41Å; L149-T152 PolarHBondContact O-N 3.02Å; L149-T152 VanDerWaalsContact O-N 3.14Å; L149-K153 PolarHBondContact O-N 2.93Å
150	N	92.4	Very high	95.1	Very high	116 Å²	116	86.4 Å²	86.4	62%	0.62	45%	0.45	S	S	*	.	H	α-helix	trans	-57.5	-46.7	-178.9	-71.8	-27.8	0	0	0	111.9	T152 K153 Q154	N150-T152 VanDerWaalsContact C-N 3.28Å; N150-T152 PolarHBondContact O-N 3.42Å; N150-K153 WeakPolarHBondContact O-CB 3.5Å; N150-K153 PolarHBondContact O-N 3.11Å; N150-K153 VanDerWaalsContact O-N 3.17Å; N150-Q154 WeakPolarHBondContact O-CG 3.3Å; N150-Q154 PolarHBondContact O-N 2.94Å
151	D	90.2	Very high	94.9	Very high	72 Å²	72	88.3 Å²	88.3	39%	0.385	46%	0.455	S	S	.	.	H	α-helix	trans	-62	-37.8	179	-74.6	21	0	0	0	111.7	N113 L149 Q154 C155	N113-D151 HydrophobicContact CB-CB 4.37Å; N113-D151 PolarHBondContact ND2-OD2 3.22Å; L149-D151 VanDerWaalsContact C-N 3.34Å; L149-D151 PolarHBondContact O-N 2.95Å; D151-Q154 PolarHBondContact O-N 2.88Å; D151-C155 WeakPolarHBondContact O-CB 3.36Å; D151-C155 PolarHBondContact O-N 2.91Å; D151-C155 PolarHBondContact O-SG 3.2Å
152	T	94.3	Very high	94.3	Very high	16 Å²	16	93.6 Å²	93.6	10%	0.098	47%	0.468	C	S	.	.	H	α-helix	trans	-64	-46.5	175.1	-65.8	0	0	0	0	111	V116 N146 L147 L149 N150 Q154 C155 I156	V116-T152 WeakPolarHBondContact CG2-OG1 3.29Å; N146-T152 WeakPolarHBondContact ND2-CG2 3.36Å; N146-T152 PolarHBondContact ND2-OG1 2.78Å; N146-T152 VanDerWaalsContact O-CB 3.24Å; N146-T152 WeakPolarHBondContact O-CB 3.1Å; N146-T152 WeakPolarHBondContact O-CG2 3.44Å; N146-T152 PolarHBondContact O-OG1 2.99Å; L147-T152 HydrophobicContact CD2-CG2 4.45Å; L149-T152 WeakPolarHBondContact O-CB 3.41Å; L149-T152 PolarHBondContact O-N 3.02Å; L149-T152 VanDerWaalsContact O-N 3.14Å; N150-T152 VanDerWaalsContact C-N 3.28Å; N150-T152 PolarHBondContact O-N 3.42Å; T152-Q154 VanDerWaalsContact C-N 3.31Å; T152-Q154 PolarHBondContact O-N 2.92Å; T152-C155 PolarHBondContact O-N 3.42Å; T152-I156 HydrophobicContact CG2-CD1 3.79Å; T152-I156 HydrophobicContact CG2-CG1 4.42Å; T152-I156 VanDerWaalsContact O-CG1 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 3.3Å; T152-I156 PolarHBondContact O-N 3.43Å
153	K	94.7	Very high	92.6	Very high	93 Å²	93	102.5 Å²	102.5	40%	0.404	50%	0.504	S	S	.	.	H	α-helix	trans	-59.1	-43.3	176.8	-68.2	174.3	-178.9	167.1	0	111.5	L147 Q148 L149 N150 Q157	L147-K153 WeakPolarHBondContact O-CE 3.26Å; L147-K153 WeakPolarHBondContact O-CG 3.45Å; Q148-K153 PolarHBondContact O-NZ 2.55Å; L149-K153 PolarHBondContact O-N 2.93Å; N150-K153 WeakPolarHBondContact O-CB 3.5Å; N150-K153 PolarHBondContact O-N 3.11Å; N150-K153 VanDerWaalsContact O-N 3.17Å; K153-Q157 WeakPolarHBondContact O-CB 3.25Å; K153-Q157 PolarHBondContact O-N 3.22Å
154	Q	92.1	Very high	90.2	Very high	123 Å²	123	109.8 Å²	109.8	58%	0.575	53%	0.533	S	S	*	.	H	α-helix	trans	-64.4	-47.7	177.2	-70.5	177.3	17.7	0	0	111.9	N150 D151 T152 I156 Q157 S158	N150-Q154 WeakPolarHBondContact O-CG 3.3Å; N150-Q154 PolarHBondContact O-N 2.94Å; D151-Q154 PolarHBondContact O-N 2.88Å; T152-Q154 VanDerWaalsContact C-N 3.31Å; T152-Q154 PolarHBondContact O-N 2.92Å; Q154-I156 VanDerWaalsContact C-N 3.35Å; Q154-I156 PolarHBondContact O-N 3.29Å; Q154-Q157 PolarHBondContact O-N 2.98Å; Q154-S158 WeakPolarHBondContact O-CB 3.34Å; Q154-S158 PolarHBondContact O-N 3.46Å; Q154-S158 PolarHBondContact O-OG 3.4Å; Q154-S158 VanDerWaalsContact O-OG 3.14Å
155	C	92.4	Very high	89.9	Confident	85 Å²	85	110.9 Å²	110.9	57%	0.574	53%	0.532	S	S	*	.	H	α-helix	trans	-59.8	-43.5	177.5	-72.3	0	0	0	0	112.2	D151 T152 S158 F159	D151-C155 WeakPolarHBondContact O-CB 3.36Å; D151-C155 PolarHBondContact O-N 2.91Å; D151-C155 PolarHBondContact O-SG 3.2Å; T152-C155 PolarHBondContact O-N 3.42Å; C155-S158 PolarHBondContact O-N 3.48Å; C155-F159 WeakPolarHBondContact O-CB 3.14Å; C155-F159 PolarHBondContact O-N 3.47Å
156	I	94.9	Very high	89.5	Confident	75 Å²	75	109.6 Å²	109.6	39%	0.385	53%	0.53	S	S	.	.	H	α-helix	trans	-61.3	-47.5	175.5	-68.9	170	0	0	0	110.1	L147 T152 Q154 S158 F159 L160	L147-I156 HydrophobicContact CD2-CD1 3.75Å; T152-I156 HydrophobicContact CG2-CD1 3.79Å; T152-I156 HydrophobicContact CG2-CG1 4.42Å; T152-I156 VanDerWaalsContact O-CG1 3.3Å; T152-I156 WeakPolarHBondContact O-CG1 3.3Å; T152-I156 PolarHBondContact O-N 3.43Å; Q154-I156 VanDerWaalsContact C-N 3.35Å; Q154-I156 PolarHBondContact O-N 3.29Å; I156-S158 PolarHBondContact O-N 3.09Å; I156-F159 PolarHBondContact O-N 2.99Å; I156-L160 HydrophobicContact CG2-CD1 3.94Å; I156-L160 HydrophobicContact CG2-CG 4.4Å; I156-L160 VanDerWaalsContact O-CG 3.32Å; I156-L160 WeakPolarHBondContact O-CG 3.17Å; I156-L160 PolarHBondContact O-N 3.15Å
157	Q	94.1	Very high	89.1	Confident	99 Å²	99	113.8 Å²	113.8	46%	0.463	55%	0.549	S	S	.	.	H	α-helix	trans	-63	-42.5	178.8	-171.2	63.3	45.8	0	0	112.1	K153 Q154 F159 L160 N161	K153-Q157 WeakPolarHBondContact O-CB 3.25Å; K153-Q157 PolarHBondContact O-N 3.22Å; Q154-Q157 PolarHBondContact O-N 2.98Å; Q157-F159 VanDerWaalsContact C-N 3.32Å; Q157-F159 PolarHBondContact O-N 3.06Å; Q157-L160 PolarHBondContact O-N 3.13Å; Q157-N161 PolarHBondContact NE2-ND2 2.74Å; Q157-N161 PolarHBondContact NE2-OD1 2.88Å; Q157-N161 WeakPolarHBondContact O-CB 3.05Å; Q157-N161 PolarHBondContact O-N 2.97Å; Q157-N161 PolarHBondContact O-ND2 2.86Å
158	S	93.1	Very high	88.6	Confident	66 Å²	66	116.2 Å²	116.2	46%	0.462	56%	0.559	S	S	.	*	H	α-helix	trans	-61.5	-40	175.2	-67.1	0	0	0	0	111.9	Q154 C155 I156 N161 R162	Q154-S158 WeakPolarHBondContact O-CB 3.34Å; Q154-S158 PolarHBondContact O-N 3.46Å; Q154-S158 PolarHBondContact O-OG 3.4Å; Q154-S158 VanDerWaalsContact O-OG 3.14Å; C155-S158 PolarHBondContact O-N 3.48Å; I156-S158 PolarHBondContact O-N 3.09Å; S158-N161 PolarHBondContact O-N 3.21Å; S158-R162 WeakPolarHBondContact O-CG 3.4Å; S158-R162 PolarHBondContact O-N 3.27Å
159	F	94.1	Very high	88.1	Confident	154 Å²	154	116.1 Å²	116.1	68%	0.675	56%	0.559	S	S	*	*	H	α-helix	trans	-64.2	-46.6	175	179.4	-98.4	0	0	0	111.6	C155 I156 Q157 N161 R162	C155-F159 WeakPolarHBondContact O-CB 3.14Å; C155-F159 PolarHBondContact O-N 3.47Å; I156-F159 PolarHBondContact O-N 2.99Å; Q157-F159 VanDerWaalsContact C-N 3.32Å; Q157-F159 PolarHBondContact O-N 3.06Å; F159-N161 VanDerWaalsContact C-N 3.29Å; F159-N161 PolarHBondContact O-N 2.61Å; F159-R162 PolarHBondContact O-N 2.76Å
160	L	94.4	Very high	87.7	Confident	116 Å²	116	120.5 Å²	120.5	61%	0.607	58%	0.579	S	S	*	*	H	α-helix	trans	-64.1	-31.9	178	-67.7	173.3	0	0	0	113	I156 Q157	I156-L160 HydrophobicContact CG2-CD1 3.94Å; I156-L160 HydrophobicContact CG2-CG 4.4Å; I156-L160 VanDerWaalsContact O-CG 3.32Å; I156-L160 WeakPolarHBondContact O-CG 3.17Å; I156-L160 PolarHBondContact O-N 3.15Å; Q157-L160 PolarHBondContact O-N 3.13Å
161	N	93.7	Very high	87.4	Confident	108 Å²	108	120.9 Å²	120.9	58%	0.578	58%	0.576	S	S	*	*	H	α-helix	trans	-80.4	-14.1	179.8	-72.2	-11.5	0	0	0	113.8	Q157 S158 F159 K163	Q157-N161 PolarHBondContact NE2-ND2 2.74Å; Q157-N161 PolarHBondContact NE2-OD1 2.88Å; Q157-N161 WeakPolarHBondContact O-CB 3.05Å; Q157-N161 PolarHBondContact O-N 2.97Å; Q157-N161 PolarHBondContact O-ND2 2.86Å; S158-N161 PolarHBondContact O-N 3.21Å; F159-N161 VanDerWaalsContact C-N 3.29Å; F159-N161 PolarHBondContact O-N 2.61Å; N161-K163 VanDerWaalsContact C-N 3.28Å; N161-K163 PolarHBondContact O-N 3.19Å
162	R	84	Confident	87.1	Confident	203 Å²	203	124.6 Å²	124.6	77%	0.766	59%	0.591	S	S	*	*			trans	-71.3	86.4	172.7	-74.1	173.1	-173	-161.8	2.5	108.8	S158 F159	S158-R162 WeakPolarHBondContact O-CG 3.4Å; S158-R162 PolarHBondContact O-N 3.27Å; F159-R162 PolarHBondContact O-N 2.76Å
163	K	63.1	Low	86.5	Confident	199 Å²	199	133.7 Å²	133.7	87%	0.865	63%	0.632	S	S	*	*			trans	-57.9	140.4	159.1	-69.2	-175	178.5	-179.8	0	107.7	N161	N161-K163 VanDerWaalsContact C-N 3.28Å; N161-K163 PolarHBondContact O-N 3.19Å
164	K	48	Very low	85.8	Confident	283 Å²	283	137.4 Å²	137.4	100%	1.23	65%	0.653	S	S	*	*			trans	-37.9	0	174.9	-79.1	-177.7	173.8	-179.4	0	112.7

Retrieved 164 of 164 residues in 105.3 ms (Link to these results)

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