A0A5K4FGR5_SCHMA Loading...

DNA replication complex GINS protein PSF3

The GINS complex plays an essential role in the initiation of DNA replication.

AlphaFold DB , UniProt , Accession A0A5K4FGR5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 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	32.7	Very low	46.5	Very low	240 Å²	240	120.9 Å²	120.9	100%	1.182	65%	0.648	S	S	*	*				0	99.5	0	-175.1	-179.7	-92.8	0	0	105.3	S3	M1-S3 PolarHBondContact O-N 3.09Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2	L	35.6	Very low	47.9	Very low	163 Å²	163	112.3 Å²	112.3	85%	0.853	61%	0.605	S	S	*	*			trans	-49.5	120.6	177.3	-78.8	140.4	0	0	0	107.4	F4	L2-F4 PolarHBondContact O-N 3.23Å
3	S	41	Very low	48.9	Very low	110 Å²	110	109.5 Å²	109.5	77%	0.769	59%	0.589	S	S	*	*			trans	-68	75.5	176.4	53.8	0	0	0	0	108.6	M1 I5 G6	M1-S3 PolarHBondContact O-N 3.09Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-I5 PolarHBondContact O-N 2.96Å; S3-I5 VanDerWaalsContact O-N 3.1Å; S3-G6 PolarHBondContact O-N 2.72Å
4	F	43.5	Very low	50.1	Low	189 Å²	189	111.6 Å²	111.6	83%	0.829	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	7.3	176.4	-143.1	-92.3	0	0	0	112	L2	L2-F4 PolarHBondContact O-N 3.23Å
5	I	42.7	Very low	51.4	Low	143 Å²	143	109.8 Å²	109.8	73%	0.733	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.3	40.4	176.6	-48.4	94.4	0	0	0	109.9	S3 T7	S3-I5 PolarHBondContact O-N 2.96Å; S3-I5 VanDerWaalsContact O-N 3.1Å; I5-T7 HydrophobicContact CG2-CG2 4.02Å; I5-T7 PolarHBondContact O-N 2.95Å
6	G	47.8	Very low	52.4	Low	58 Å²	58	106.1 Å²	106.1	60%	0.598	57%	0.574	S	S	*	*	S	Bend	trans	-73.7	87.2	137	0	0	0	0	0	104.7	S3 D8	S3-G6 PolarHBondContact O-N 2.72Å; G6-D8 VanDerWaalsContact C-N 3.34Å; G6-D8 PolarHBondContact O-N 3.07Å
7	T	50.3	Low	53.5	Low	72 Å²	72	103.5 Å²	103.5	44%	0.442	58%	0.578	S	S	.	*			trans	-49.7	108.7	169.1	42.1	0	0	0	0	106	I5 W9	I5-T7 HydrophobicContact CG2-CG2 4.02Å; I5-T7 PolarHBondContact O-N 2.95Å; T7-W9 PolarHBondContact O-N 3.31Å; T7-W9 PolarHBondContact O-NE1 3.32Å; T7-W9 VanDerWaalsContact OG1-CZ2 3.24Å; T7-W9 WeakPolarHBondContact OG1-CZ2 3.22Å; T7-W9 PolarHBondContact OG1-NE1 3.27Å
8	D	54.1	Low	55	Low	90 Å²	90	100.6 Å²	100.6	48%	0.481	57%	0.566	S	S	.	*			trans	-74.9	82.9	-173.9	-165.1	2.7	0	0	0	106.7	G6 T10 L11	G6-D8 VanDerWaalsContact C-N 3.34Å; G6-D8 PolarHBondContact O-N 3.07Å; D8-T10 PolarHBondContact O-N 3.12Å; D8-T10 WeakPolarHBondContact OD1-CB 2.9Å; D8-T10 VanDerWaalsContact OD1-CG2 3.29Å; D8-T10 WeakPolarHBondContact OD1-CG2 3.13Å; D8-T10 PolarHBondContact OD1-OG1 2.76Å; D8-T10 PolarHBondContact OD2-OG1 3.13Å; D8-L11 HydrophobicContact CB-CD1 4.03Å; D8-L11 HydrophobicContact CB-CG 3.96Å; D8-L11 WeakPolarHBondContact O-CB 3.22Å; D8-L11 WeakPolarHBondContact O-CG 3.5Å; D8-L11 PolarHBondContact O-N 2.99Å
9	W	56.5	Low	56.3	Low	129 Å²	129	106.2 Å²	106.2	49%	0.489	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.8	-16.9	-178.9	-57.4	101.2	0	0	0	111.2	T7 L11 S12 A184	T7-W9 PolarHBondContact O-N 3.31Å; T7-W9 PolarHBondContact O-NE1 3.32Å; T7-W9 VanDerWaalsContact OG1-CZ2 3.24Å; T7-W9 WeakPolarHBondContact OG1-CZ2 3.22Å; T7-W9 PolarHBondContact OG1-NE1 3.27Å; W9-L11 PolarHBondContact O-N 3.33Å; W9-S12 PolarHBondContact O-N 3.12Å; W9-S12 PolarHBondContact O-OG 3.38Å; W9-A184 HydrophobicContact CB-CB 4.19Å
10	T	53.5	Low	57.7	Low	48 Å²	48	107.7 Å²	107.7	29%	0.294	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.6	-23.4	172.8	74.4	0	0	0	0	113	D8 S12 L13 L14 I188	D8-T10 PolarHBondContact O-N 3.12Å; D8-T10 WeakPolarHBondContact OD1-CB 2.9Å; D8-T10 VanDerWaalsContact OD1-CG2 3.29Å; D8-T10 WeakPolarHBondContact OD1-CG2 3.13Å; D8-T10 PolarHBondContact OD1-OG1 2.76Å; D8-T10 PolarHBondContact OD2-OG1 3.13Å; T10-S12 PolarHBondContact O-N 3.07Å; T10-L13 PolarHBondContact O-N 3.26Å; T10-L14 PolarHBondContact O-N 2.89Å; T10-I188 HydrophobicContact CG2-CD1 3.65Å; T10-I188 HydrophobicContact CG2-CG1 4.18Å
11	L	54	Low	59.1	Low	88 Å²	88	103.2 Å²	103.2	46%	0.461	56%	0.561	S	S	.	*	H	α-helix	trans	-61.1	-29.1	-180	-64.2	172.4	0	0	0	111.6	D8 W9 L13 H15	D8-L11 HydrophobicContact CB-CD1 4.03Å; D8-L11 HydrophobicContact CB-CG 3.96Å; D8-L11 WeakPolarHBondContact O-CB 3.22Å; D8-L11 WeakPolarHBondContact O-CG 3.5Å; D8-L11 PolarHBondContact O-N 2.99Å; W9-L11 PolarHBondContact O-N 3.33Å; L11-L13 PolarHBondContact O-N 2.87Å; L11-H15 WeakPolarHBondContact O-CB 2.97Å; L11-H15 PolarHBondContact O-N 2.88Å; L11-H15 PolarHBondContact O-ND1 3.46Å
12	S	63.3	Low	61.8	Low	18 Å²	18	97.3 Å²	97.3	13%	0.126	53%	0.533	C	S	.	.	H	α-helix	trans	-61.1	-42.7	178.8	59.7	0	0	0	0	112.9	W9 T10 A16 N21 D23	W9-S12 PolarHBondContact O-N 3.12Å; W9-S12 PolarHBondContact O-OG 3.38Å; T10-S12 PolarHBondContact O-N 3.07Å; S12-A16 PolarHBondContact O-N 2.81Å; S12-N21 PolarHBondContact O-ND2 3.36Å; S12-D23 WeakPolarHBondContact CB-OD2 3.11Å
13	L	60.2	Low	64.3	Low	75 Å²	75	91.9 Å²	91.9	39%	0.393	51%	0.505	S	S	.	.	H	α-helix	trans	-76.6	-41.6	-179.1	-76	171.4	0	0	0	112.3	T10 L11 H15 A16 L181	T10-L13 PolarHBondContact O-N 3.26Å; L11-L13 PolarHBondContact O-N 2.87Å; L13-H15 PolarHBondContact O-N 3.16Å; L13-A16 WeakPolarHBondContact O-CB 3.24Å; L13-A16 PolarHBondContact O-N 3.33Å; L13-L181 HydrophobicContact CD1-CG 4.31Å; L13-L181 HydrophobicContact CD2-CD1 3.65Å; L13-L181 HydrophobicContact CD2-CG 4.02Å
14	L	66.1	Low	66.5	Low	140 Å²	140	87.5 Å²	87.5	73%	0.733	47%	0.473	S	S	*	.	H	α-helix	trans	-61	-28.8	179	-119.5	89.4	0	0	0	112.3	T10	T10-L14 PolarHBondContact O-N 2.89Å
15	H	70.2	Confident	68.8	Low	84 Å²	84	82.7 Å²	82.7	39%	0.389	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	20.8	-178.3	-55.2	99.3	0	0	0	112.5	L11 L13 G17 S18 N21	L11-H15 WeakPolarHBondContact O-CB 2.97Å; L11-H15 PolarHBondContact O-N 2.88Å; L11-H15 PolarHBondContact O-ND1 3.46Å; L13-H15 PolarHBondContact O-N 3.16Å; H15-G17 PolarHBondContact O-N 3.24Å; H15-S18 WeakPolarHBondContact O-CB 3.41Å; H15-S18 PolarHBondContact O-N 2.98Å; H15-N21 VanDerWaalsContact C-ND2 3.27Å; H15-N21 PolarHBondContact O-ND2 2.76Å
16	A	67.1	Low	71.2	Confident	50 Å²	50	80.8 Å²	80.8	41%	0.413	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	126.9	173.7	0	0	0	0	0	109.9	S12 L13 S18 M128	S12-A16 PolarHBondContact O-N 2.81Å; L13-A16 WeakPolarHBondContact O-CB 3.24Å; L13-A16 PolarHBondContact O-N 3.33Å; A16-S18 VanDerWaalsContact C-N 3.34Å; A16-M128 HydrophobicContact CB-CE 4.13Å; A16-M128 HydrophobicContact CB-SD 3.95Å
17	G	71.5	Confident	73.3	Confident	62 Å²	62	78.1 Å²	78.1	64%	0.639	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-1.6	-172.2	0	0	0	0	0	115.5	H15 D24	H15-G17 PolarHBondContact O-N 3.24Å; G17-D24 VanDerWaalsContact CA-OD2 3.25Å; G17-D24 WeakPolarHBondContact CA-OD2 3.26Å; G17-D24 PolarHBondContact N-OD2 2.83Å
18	S	80.3	Confident	75.3	Confident	52 Å²	52	75.4 Å²	75.4	36%	0.364	40%	0.402	S	S	.	.			trans	-73.1	133.2	171.3	-178.9	0	0	0	0	110.3	H15 A16 L20 N21	H15-S18 WeakPolarHBondContact O-CB 3.41Å; H15-S18 PolarHBondContact O-N 2.98Å; A16-S18 VanDerWaalsContact C-N 3.34Å; S18-L20 PolarHBondContact O-N 3.02Å; S18-N21 WeakPolarHBondContact O-CB 3.37Å; S18-N21 PolarHBondContact O-N 3.3Å
19	Y	79.4	Confident	77.2	Confident	206 Å²	206	75.4 Å²	75.4	81%	0.808	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-31.6	-175.9	-178.8	-100.8	0	0	0	114.6
20	L	84.8	Confident	79	Confident	136 Å²	136	73.3 Å²	73.3	71%	0.712	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	9.4	-178.4	-60.9	-179.6	0	0	0	113.8	S18 I22	S18-L20 PolarHBondContact O-N 3.02Å; L20-I22 PolarHBondContact O-N 3.3Å
21	N	86.3	Confident	80.9	Confident	14 Å²	14	77.2 Å²	77.2	8%	0.075	41%	0.407	C	S	.	.			trans	-73.6	115	176.7	-175.1	-11.7	0	0	0	110.2	S12 H15 S18 D23 D24 I25	S12-N21 PolarHBondContact O-ND2 3.36Å; H15-N21 VanDerWaalsContact C-ND2 3.27Å; H15-N21 PolarHBondContact O-ND2 2.76Å; S18-N21 WeakPolarHBondContact O-CB 3.37Å; S18-N21 PolarHBondContact O-N 3.3Å; N21-D23 VanDerWaalsContact C-N 3.32Å; N21-D23 PolarHBondContact O-N 2.77Å; N21-D23 PolarHBondContact OD1-N 2.89Å; N21-D23 VanDerWaalsContact OD1-N 3.08Å; N21-D24 HydrophobicContact CB-CB 3.87Å; N21-D24 PolarHBondContact O-N 2.89Å; N21-I25 VanDerWaalsContact O-CG1 3.31Å; N21-I25 WeakPolarHBondContact O-CG1 3.46Å; N21-I25 PolarHBondContact O-N 2.87Å
22	I	88.8	Confident	82.8	Confident	117 Å²	117	73.2 Å²	73.2	60%	0.6	39%	0.386	S	S	*	.	H	α-helix	trans	-61.2	-41.2	-177.3	-62.4	172.2	0	0	0	111.3	L20 D24 I25 L26	L20-I22 PolarHBondContact O-N 3.3Å; I22-D24 VanDerWaalsContact C-N 3.28Å; I22-D24 PolarHBondContact O-N 2.79Å; I22-I25 PolarHBondContact O-N 2.73Å; I22-L26 HydrophobicContact CG2-CD1 3.83Å; I22-L26 HydrophobicContact CG2-CG 4.2Å; I22-L26 WeakPolarHBondContact O-CB 3.46Å; I22-L26 VanDerWaalsContact O-CG 3.24Å; I22-L26 WeakPolarHBondContact O-CG 3.36Å; I22-L26 PolarHBondContact O-N 2.74Å
23	D	88.4	Confident	84.2	Confident	48 Å²	48	73.8 Å²	73.8	26%	0.257	39%	0.39	S	S	.	.	H	α-helix	trans	-67.5	-33.6	-178.8	-67.1	-33.4	0	0	0	111.4	S12 N21 A27 M125	S12-D23 WeakPolarHBondContact CB-OD2 3.11Å; N21-D23 VanDerWaalsContact C-N 3.32Å; N21-D23 PolarHBondContact O-N 2.77Å; N21-D23 PolarHBondContact OD1-N 2.89Å; N21-D23 VanDerWaalsContact OD1-N 3.08Å; D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 2.88Å; D23-M125 HydrophobicContact CB-CE 4.24Å; D23-M125 HydrophobicContact CB-SD 4.43Å; D23-M125 WeakPolarHBondContact OD1-CE 3.45Å
24	D	88.3	Confident	85.9	Confident	19 Å²	19	70.2 Å²	70.2	10%	0.102	37%	0.372	C	S	.	.	H	α-helix	trans	-71.7	-42	175.9	-165.6	28.7	0	0	0	112.1	G17 N21 I22 L26 A27 S28 N132	G17-D24 VanDerWaalsContact CA-OD2 3.25Å; G17-D24 WeakPolarHBondContact CA-OD2 3.26Å; G17-D24 PolarHBondContact N-OD2 2.83Å; N21-D24 HydrophobicContact CB-CB 3.87Å; N21-D24 PolarHBondContact O-N 2.89Å; I22-D24 VanDerWaalsContact C-N 3.28Å; I22-D24 PolarHBondContact O-N 2.79Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 3.39Å; D24-A27 PolarHBondContact O-N 2.68Å; D24-S28 VanDerWaalsContact O-CB 3.27Å; D24-S28 WeakPolarHBondContact O-CB 3.13Å; D24-S28 PolarHBondContact O-N 2.95Å; D24-S28 PolarHBondContact O-OG 3.46Å; D24-N132 PolarHBondContact OD1-ND2 3.02Å; D24-N132 PolarHBondContact OD1-OD1 3.34Å; D24-N132 VanDerWaalsContact OD1-OD1 3.14Å
25	I	91.7	Very high	87.2	Confident	88 Å²	88	70.6 Å²	70.6	45%	0.451	36%	0.363	S	S	.	.	H	α-helix	trans	-58.9	-47.7	172.7	-66.9	164.7	0	0	0	110	N21 I22 S28 N29	N21-I25 VanDerWaalsContact O-CG1 3.31Å; N21-I25 WeakPolarHBondContact O-CG1 3.46Å; N21-I25 PolarHBondContact O-N 2.87Å; I22-I25 PolarHBondContact O-N 2.73Å; I25-S28 PolarHBondContact O-OG 3.03Å; I25-N29 WeakPolarHBondContact O-CB 3.25Å; I25-N29 PolarHBondContact O-N 2.82Å
26	L	92	Very high	88.4	Confident	103 Å²	103	66.7 Å²	66.7	54%	0.539	35%	0.345	S	S	.	.	H	α-helix	trans	-66.7	-43.3	-179.9	-69.6	175.9	0	0	0	112	I22 D24 N29	I22-L26 HydrophobicContact CG2-CD1 3.83Å; I22-L26 HydrophobicContact CG2-CG 4.2Å; I22-L26 WeakPolarHBondContact O-CB 3.46Å; I22-L26 VanDerWaalsContact O-CG 3.24Å; I22-L26 WeakPolarHBondContact O-CG 3.36Å; I22-L26 PolarHBondContact O-N 2.74Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 3.39Å; L26-N29 PolarHBondContact O-N 3.38Å
27	A	92.8	Very high	89.7	Confident	2 Å²	2	69.7 Å²	69.7	2%	0.017	35%	0.346	C	S	.	.	H	α-helix	trans	-62.6	-47	178.8	0	0	0	0	0	111.8	D23 D24 N29 E30 M125 M128 L129	D23-A27 WeakPolarHBondContact O-CB 3.47Å; D23-A27 PolarHBondContact O-N 2.88Å; D24-A27 PolarHBondContact O-N 2.68Å; A27-N29 PolarHBondContact O-N 3.5Å; A27-E30 WeakPolarHBondContact O-CB 3.4Å; A27-E30 PolarHBondContact O-N 2.79Å; A27-M125 HydrophobicContact CB-CB 3.63Å; A27-M125 HydrophobicContact CB-CG 4.13Å; A27-M128 HydrophobicContact CB-CB 3.7Å; A27-M128 HydrophobicContact CB-CG 3.59Å; A27-L129 HydrophobicContact CB-CB 4.45Å; A27-L129 WeakPolarHBondContact O-CD1 3.49Å
28	S	92.3	Very high	90.8	Very high	14 Å²	14	70.2 Å²	70.2	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-73.6	-15.4	-176.8	69	0	0	0	0	113.8	D24 I25 E30 V80 W81	D24-S28 VanDerWaalsContact O-CB 3.27Å; D24-S28 WeakPolarHBondContact O-CB 3.13Å; D24-S28 PolarHBondContact O-N 2.95Å; D24-S28 PolarHBondContact O-OG 3.46Å; I25-S28 PolarHBondContact O-OG 3.03Å; S28-E30 VanDerWaalsContact C-N 3.26Å; S28-E30 PolarHBondContact O-N 3.23Å; S28-V80 PolarHBondContact O-N 3.42Å; S28-V80 VanDerWaalsContact O-N 3.13Å; S28-W81 VanDerWaalsContact O-CD1 3.29Å; S28-W81 PolarHBondContact O-N 3.49Å; S28-W81 VanDerWaalsContact O-N 3.1Å
29	N	94.2	Very high	91.4	Very high	91 Å²	91	71.9 Å²	71.9	49%	0.487	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.5	175.6	-161.2	54.4	0	0	0	113.8	I25 L26 A27 R31	I25-N29 WeakPolarHBondContact O-CB 3.25Å; I25-N29 PolarHBondContact O-N 2.82Å; L26-N29 PolarHBondContact O-N 3.38Å; A27-N29 PolarHBondContact O-N 3.5Å; N29-R31 PolarHBondContact O-N 3.18Å
30	E	93.4	Very high	92	Very high	84 Å²	84	63.1 Å²	63.1	39%	0.393	31%	0.308	S	S	.	.			trans	-52.3	133.1	170.4	-176.5	71	177.1	0	0	109.9	A27 S28 P79 V80 L129	A27-E30 WeakPolarHBondContact O-CB 3.4Å; A27-E30 PolarHBondContact O-N 2.79Å; S28-E30 VanDerWaalsContact C-N 3.26Å; S28-E30 PolarHBondContact O-N 3.23Å; E30-P79 CarbonylContact O-C 3.28Å; E30-P79 WeakPolarHBondContact O-CA 2.9Å; E30-V80 VanDerWaalsContact O-CG2 3.27Å; E30-V80 WeakPolarHBondContact O-CG2 3.22Å; E30-V80 PolarHBondContact O-N 3.42Å; E30-L129 HydrophobicContact CB-CD1 4.19Å; E30-L129 HydrophobicContact CB-CD2 4.03Å; E30-L129 HydrophobicContact CG-CD2 3.82Å
31	R	93.7	Very high	92.3	Very high	131 Å²	131	60.9 Å²	60.9	49%	0.494	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	139.2	-178.8	-61.3	-175.8	79.9	96.1	-3.6	110.7	N29 E77 L78	N29-R31 PolarHBondContact O-N 3.18Å; R31-E77 IonicContact NE-OE2 3.64Å; R31-E77 PolarHBondContact NH2-O 3.38Å; R31-L78 CarbonylContact C-O 3.59Å; R31-L78 WeakPolarHBondContact CA-O 3.41Å
32	T	93.3	Very high	92.6	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.1	171.4	-165.9	0	0	0	0	111.7	E77 L78 V80 A83 I96 D97	T32-E77 WeakPolarHBondContact O-CA 3.24Å; T32-L78 PolarHBondContact N-O 3.01Å; T32-L78 PolarHBondContact O-N 3.02Å; T32-V80 HydrophobicContact CG2-CG2 3.71Å; T32-A83 HydrophobicContact CG2-CB 4Å; T32-I96 HydrophobicContact CG2-CG2 3.97Å; T32-D97 PolarHBondContact OG1-O 3.09Å
33	S	94.6	Very high	92.6	Very high	30 Å²	30	61.1 Å²	61.1	21%	0.21	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.1	174.4	175.5	0	0	0	0	109.8	D97	S33-D97 WeakPolarHBondContact O-CB 3.32Å; S33-D97 PolarHBondContact O-N 2.85Å
34	C	93.9	Very high	92.7	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.007	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.3	178.3	-64.7	0	0	0	0	109.5	N75 I76 A83 L94 S95	C34-N75 WeakPolarHBondContact O-CA 3.47Å; C34-I76 HydrophobicContact CB-CG1 4.18Å; C34-I76 PolarHBondContact N-O 3.03Å; C34-I76 PolarHBondContact O-N 2.88Å; C34-A83 WeakPolarHBondContact SG-CB 3.27Å; C34-L94 HydrophobicContact CB-CB 4.38Å; C34-L94 HydrophobicContact CB-CD1 4.29Å; C34-S95 CarbonylContact C-O 2.99Å; C34-S95 VanDerWaalsContact CA-O 3.27Å; C34-S95 WeakPolarHBondContact CA-O 3.46Å
35	R	94.8	Very high	92.7	Very high	148 Å²	148	62 Å²	62	56%	0.558	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.3	173	-173.1	174.1	179.6	164.7	0.5	110.1	R37 N75 L94 S95	R35-R37 PolarHBondContact O-N 3.32Å; R35-N75 WeakPolarHBondContact CB-OD1 3.41Å; R35-L94 WeakPolarHBondContact O-CA 3.43Å; R35-S95 PolarHBondContact N-O 3.06Å; R35-S95 PolarHBondContact O-N 3.13Å
36	V	95.5	Very high	92.5	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	127.5	178.4	178.2	0	0	0	0	110.2	V38 L40 V70 G73 K74 I76 L94	V36-V38 WeakPolarHBondContact CG1-O 3.47Å; V36-L40 HydrophobicContact CG1-CD1 4.27Å; V36-L40 HydrophobicContact CG1-CG 4.07Å; V36-L40 HydrophobicContact CG2-CD1 4.23Å; V36-V70 HydrophobicContact CG2-CG1 3.92Å; V36-G73 WeakPolarHBondContact O-CA 3.27Å; V36-G73 PolarHBondContact O-N 2.89Å; V36-K74 WeakPolarHBondContact CG2-O 3.39Å; V36-K74 PolarHBondContact N-O 3.34Å; V36-I76 HydrophobicContact CG2-CD1 3.79Å; V36-I76 HydrophobicContact CG2-CG1 4.01Å; V36-I76 HydrophobicContact CG2-CG2 4.24Å; V36-L94 HydrophobicContact CB-CD2 4.3Å; V36-L94 HydrophobicContact CG2-CD2 3.8Å
37	R	94.6	Very high	92.4	Very high	114 Å²	114	61.6 Å²	61.6	43%	0.43	32%	0.318	S	S	.	.			trans	-102.5	-21	178.5	-66.4	-174.3	176.7	177.8	7.2	113.4	R35 V72 Q92 I93 S95	R35-R37 PolarHBondContact O-N 3.32Å; R37-V72 WeakPolarHBondContact O-CG1 3.31Å; R37-Q92 VanDerWaalsContact CD-O 3.26Å; R37-Q92 WeakPolarHBondContact CD-O 3.48Å; R37-I93 WeakPolarHBondContact CB-O 3.5Å; R37-I93 PolarHBondContact N-O 3.28Å; R37-S95 PolarHBondContact NH2-OG 3.41Å
38	V	92.9	Very high	92	Very high	73 Å²	73	63.3 Å²	63.3	44%	0.442	33%	0.327	S	S	.	.	S	Bend	trans	-130	142.3	-179.4	-175.9	0	0	0	0	108.6	V36 L40	V36-V38 WeakPolarHBondContact CG1-O 3.47Å; V38-L40 PolarHBondContact O-N 2.97Å
39	L	92.9	Very high	91	Very high	86 Å²	86	65.7 Å²	65.7	45%	0.45	34%	0.343	S	S	.	.			trans	-57.4	128.3	175.9	-178.6	149	0	0	0	109.5	P41 D69 V72	L39-P41 HydrophobicContact CD2-CB 4.45Å; L39-P41 WeakPolarHBondContact O-CD 3.45Å; L39-D69 HydrophobicContact CD1-CB 4.4Å; L39-D69 HydrophobicContact CD2-CB 3.88Å; L39-D69 HydrophobicContact CG-CB 4.11Å; L39-V72 HydrophobicContact CB-CG2 4.16Å; L39-V72 VanDerWaalsContact N-CG2 3.32Å
40	L	92.6	Very high	89.6	Confident	22 Å²	22	68.3 Å²	68.3	12%	0.115	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-101.9	105.6	179.2	-56.4	176.8	0	0	0	109.5	V36 V38 L43 L47 D69 V70 I93	V36-L40 HydrophobicContact CG1-CD1 4.27Å; V36-L40 HydrophobicContact CG1-CG 4.07Å; V36-L40 HydrophobicContact CG2-CD1 4.23Å; V38-L40 PolarHBondContact O-N 2.97Å; L40-L43 HydrophobicContact CB-CB 4.16Å; L40-L43 HydrophobicContact CB-CD1 4.11Å; L40-L43 HydrophobicContact CB-CG 4.46Å; L40-L43 HydrophobicContact CD1-CD1 4.43Å; L40-L47 HydrophobicContact CD1-CD1 3.8Å; L40-D69 CarbonylContact O-C 3.58Å; L40-D69 VanDerWaalsContact O-CA 3.26Å; L40-D69 WeakPolarHBondContact O-CA 3.38Å; L40-V70 HydrophobicContact CB-CB 3.93Å; L40-V70 HydrophobicContact CB-CG2 4.2Å; L40-V70 HydrophobicContact CD1-CB 4.21Å; L40-V70 HydrophobicContact CD1-CG2 4.37Å; L40-V70 HydrophobicContact CG-CB 4.33Å; L40-V70 PolarHBondContact N-O 3.47Å; L40-V70 VanDerWaalsContact N-O 3.12Å; L40-V70 PolarHBondContact O-N 2.86Å; L40-I93 HydrophobicContact CD2-CG2 3.55Å
41	P	91.8	Very high	87.8	Confident	89 Å²	89	68.7 Å²	68.7	58%	0.578	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	137.2	-174.5	28.4	-34.3	0	0	0	111.4	L39 L43 D69	L39-P41 HydrophobicContact CD2-CB 4.45Å; L39-P41 WeakPolarHBondContact O-CD 3.45Å; P41-L43 PolarHBondContact O-N 3.31Å; P41-D69 WeakPolarHBondContact CA-OD1 3.35Å
42	S	91.1	Very high	85.7	Confident	70 Å²	70	70.6 Å²	70.6	49%	0.49	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	22.3	174.8	-70.5	0	0	0	0	116.6	D68 D69	S42-D68 CarbonylContact C-O 3.54Å; S42-D68 VanDerWaalsContact C-O 3.28Å; S42-D68 WeakPolarHBondContact CA-O 3.43Å; S42-D68 VanDerWaalsContact CA-OD2 3.22Å; S42-D68 WeakPolarHBondContact CA-OD2 3.44Å; S42-D68 WeakPolarHBondContact CB-OD2 3.41Å; S42-D68 PolarHBondContact N-O 3.18Å; S42-D68 PolarHBondContact OG-OD2 2.92Å; S42-D69 PolarHBondContact N-OD1 3.42Å
43	L	90.4	Very high	83.4	Confident	67 Å²	67	78 Å²	78	35%	0.351	42%	0.416	S	S	.	.			trans	-105.4	-3.2	177.9	-68.5	-172.1	0	0	0	113.4	L40 P41 P45 L46 L47 D68 V70	L40-L43 HydrophobicContact CB-CB 4.16Å; L40-L43 HydrophobicContact CB-CD1 4.11Å; L40-L43 HydrophobicContact CB-CG 4.46Å; L40-L43 HydrophobicContact CD1-CD1 4.43Å; P41-L43 PolarHBondContact O-N 3.31Å; L43-P45 VanDerWaalsContact C-CD 3.49Å; L43-L46 HydrophobicContact CD2-CD1 4Å; L43-L46 PolarHBondContact O-N 3Å; L43-L47 HydrophobicContact CB-CD1 3.9Å; L43-L47 HydrophobicContact CB-CG 4.3Å; L43-L47 HydrophobicContact CD1-CD1 4.25Å; L43-L47 WeakPolarHBondContact O-CB 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 3.31Å; L43-D68 PolarHBondContact N-O 3.1Å; L43-D68 VanDerWaalsContact N-O 3.16Å; L43-V70 HydrophobicContact CB-CG2 4.22Å
44	A	89.6	Confident	81.1	Confident	12 Å²	12	85.2 Å²	85.2	10%	0.099	44%	0.444	C	S	.	.	H	α-helix	trans	-57.6	-42.7	178.7	0	0	0	0	0	113.4	L46 L47 L48 D68 V70	A44-L46 PolarHBondContact O-N 3.42Å; A44-L47 PolarHBondContact O-N 3Å; A44-L48 HydrophobicContact CB-CD1 3.99Å; A44-L48 WeakPolarHBondContact O-CA 3.26Å; A44-L48 VanDerWaalsContact O-CB 3.24Å; A44-L48 WeakPolarHBondContact O-CB 3.38Å; A44-L48 PolarHBondContact O-N 3.24Å; A44-D68 VanDerWaalsContact CB-C 3.45Å; A44-D68 WeakPolarHBondContact CB-O 3.44Å; A44-D68 PolarHBondContact N-O 2.9Å; A44-V70 HydrophobicContact CB-CG2 4.35Å
45	P	88.4	Confident	78.8	Confident	74 Å²	74	91.7 Å²	91.7	48%	0.481	48%	0.477	S	S	.	.	H	α-helix	trans	-65.5	-28.1	-179.1	-21.6	33.8	0	0	0	113.3	L43 S49 D68	L43-P45 VanDerWaalsContact C-CD 3.49Å; P45-S49 WeakPolarHBondContact O-CB 3.2Å; P45-D68 WeakPolarHBondContact CD-OD1 3.3Å; P45-D68 WeakPolarHBondContact CG-OD1 3.22Å
46	L	88.2	Confident	76.2	Confident	132 Å²	132	93.8 Å²	93.8	69%	0.691	49%	0.493	S	S	*	.	H	α-helix	trans	-85.8	-35.1	179.9	-66	175.6	0	0	0	112.4	L43 A44	L43-L46 HydrophobicContact CD2-CD1 4Å; L43-L46 PolarHBondContact O-N 3Å; A44-L46 PolarHBondContact O-N 3.42Å
47	L	88.8	Confident	73.7	Confident	50 Å²	50	98.1 Å²	98.1	26%	0.262	52%	0.523	S	S	.	.	H	α-helix	trans	-103.2	-19.8	-171.1	-61.9	-177.4	0	0	0	114	L40 L43 A44 V70 I76 L78	L40-L47 HydrophobicContact CD1-CD1 3.8Å; L43-L47 HydrophobicContact CB-CD1 3.9Å; L43-L47 HydrophobicContact CB-CG 4.3Å; L43-L47 HydrophobicContact CD1-CD1 4.25Å; L43-L47 WeakPolarHBondContact O-CB 3.27Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 3.31Å; A44-L47 PolarHBondContact O-N 3Å; L47-V70 HydrophobicContact CB-CG2 4.21Å; L47-V70 HydrophobicContact CD1-CG2 4.12Å; L47-I76 HydrophobicContact CD1-CD1 4.05Å; L47-L78 HydrophobicContact CD2-CD2 3.68Å
48	L	84.5	Confident	71.1	Confident	38 Å²	38	101.3 Å²	101.3	20%	0.199	54%	0.543	C	S	.	.	S	Bend	trans	-119.1	14.8	-176.5	-54.7	178.4	0	0	0	112.6	A44 D50 V51 V70 K74 I76	A44-L48 HydrophobicContact CB-CD1 3.99Å; A44-L48 WeakPolarHBondContact O-CA 3.26Å; A44-L48 VanDerWaalsContact O-CB 3.24Å; A44-L48 WeakPolarHBondContact O-CB 3.38Å; A44-L48 PolarHBondContact O-N 3.24Å; L48-D50 PolarHBondContact O-N 3.17Å; L48-D50 VanDerWaalsContact O-N 3.07Å; L48-V51 WeakPolarHBondContact O-CB 3.33Å; L48-V51 PolarHBondContact O-N 2.79Å; L48-V70 HydrophobicContact CD1-CG1 4.32Å; L48-V70 HydrophobicContact CD1-CG2 4.27Å; L48-V70 HydrophobicContact CG-CG2 4.34Å; L48-K74 HydrophobicContact CD2-CD 4.42Å; L48-K74 HydrophobicContact CD2-CG 3.97Å; L48-I76 HydrophobicContact CD2-CG2 3.88Å
49	S	72.1	Confident	68.6	Low	64 Å²	64	101.2 Å²	101.2	45%	0.448	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-54.9	-29.1	-176.6	49.8	0	0	0	0	114	P45 V51 K52	P45-S49 WeakPolarHBondContact O-CB 3.2Å; S49-V51 PolarHBondContact O-N 3.1Å; S49-V51 VanDerWaalsContact O-N 3.13Å; S49-K52 PolarHBondContact O-N 2.96Å
50	D	64.2	Low	66.2	Low	146 Å²	146	104.4 Å²	104.4	78%	0.781	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-64.5	-14	177.9	-67.8	-9.2	0	0	0	113.6	L48 K52	L48-D50 PolarHBondContact O-N 3.17Å; L48-D50 VanDerWaalsContact O-N 3.07Å; D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 3.2Å
51	V	55.4	Low	63.9	Low	91 Å²	91	110.9 Å²	110.9	55%	0.552	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-85.8	2.4	-179.6	-171.2	0	0	0	0	112.6	L48 S49 D53	L48-V51 WeakPolarHBondContact O-CB 3.33Å; L48-V51 PolarHBondContact O-N 2.79Å; S49-V51 PolarHBondContact O-N 3.1Å; S49-V51 VanDerWaalsContact O-N 3.13Å; V51-D53 PolarHBondContact O-N 3.15Å
52	K	50	Low	61.6	Low	172 Å²	172	112.2 Å²	112.2	75%	0.748	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-72.8	-9.6	176.4	-79.5	-172.4	174.5	-178.4	0	114.9	S49 D50 K54	S49-K52 PolarHBondContact O-N 2.96Å; D50-K52 VanDerWaalsContact C-N 3.29Å; D50-K52 PolarHBondContact O-N 3.2Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.14Å
53	D	46	Very low	59.3	Low	158 Å²	158	112.4 Å²	112.4	85%	0.845	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-88.7	21.1	178.2	-78.2	-8.6	0	0	0	115.4	V51	V51-D53 PolarHBondContact O-N 3.15Å
54	K	45.3	Very low	57.4	Low	181 Å²	181	119.2 Å²	119.2	79%	0.787	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-122.6	26.6	167.6	-76.6	-163.8	177.4	-173.9	0	114.9	K52	K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.14Å
55	I	45.9	Very low	55.8	Low	137 Å²	137	128.1 Å²	128.1	70%	0.703	68%	0.681	S	S	*	*			trans	-129.4	56.7	166.7	-43.1	178.1	0	0	0	110.7	S57	I55-S57 VanDerWaalsContact CA-N 3.32Å
56	H	39.3	Very low	54.7	Low	192 Å²	192	129.2 Å²	129.2	89%	0.889	70%	0.697	S	S	*	*				-91	35.3	126.6	-73.3	-60.7	0	0	0	109.5	E58	H56-E58 VanDerWaalsContact C-N 3.27Å; H56-E58 PolarHBondContact O-N 3.11Å
57	S	43.9	Very low	54.1	Low	92 Å²	92	126.8 Å²	126.8	64%	0.643	69%	0.691	S	S	*	*			trans	-84.9	89.7	161	-158.6	0	0	0	0	105.5	I55	I55-S57 VanDerWaalsContact CA-N 3.32Å
58	E	39.4	Very low	54.1	Low	182 Å²	182	127.8 Å²	127.8	85%	0.85	70%	0.697	S	S	*	*			trans	-47.7	136.5	170.3	-60.7	168.6	154.3	0	0	110.7	H56	H56-E58 VanDerWaalsContact C-N 3.27Å; H56-E58 PolarHBondContact O-N 3.11Å
59	G	40.4	Very low	54.4	Low	70 Å²	70	128.3 Å²	128.3	72%	0.722	70%	0.7	S	S	*	*			trans	89.1	137	154.3	0	0	0	0	0	116.9
60	I	43.3	Very low	55.4	Low	154 Å²	154	125.3 Å²	125.3	79%	0.79	68%	0.678	S	S	*	*			trans	90.6	86.3	168.2	-46.4	173.5	0	0	0	113.9	D62	I60-D62 PolarHBondContact O-N 3.18Å; I60-D62 VanDerWaalsContact O-N 3.09Å
61	D	43.6	Very low	56.7	Low	157 Å²	157	121.4 Å²	121.4	84%	0.84	66%	0.661	S	S	*	*			trans	-43.4	93.9	152.9	-175.9	31.7	0	0	0	111.9
62	D	43.5	Very low	58.6	Low	117 Å²	117	121.3 Å²	121.3	63%	0.626	66%	0.661	S	S	*	*			trans	-128.5	116.9	158.2	-81.3	-34.6	0	0	0	107.7	I60 Y64	I60-D62 PolarHBondContact O-N 3.18Å; I60-D62 VanDerWaalsContact O-N 3.09Å; D62-Y64 HydrophobicContact CB-CD2 4.11Å; D62-Y64 HydrophobicContact CB-CE2 4.35Å; D62-Y64 PolarHBondContact O-N 2.89Å
63	G	43.9	Very low	60.6	Low	75 Å²	75	114.3 Å²	114.3	77%	0.773	64%	0.637	S	S	*	*			trans	-63.6	34.4	-169.8	0	0	0	0	0	117.8	K65	G63-K65 VanDerWaalsContact C-N 3.29Å; G63-K65 PolarHBondContact O-N 3.43Å
64	Y	49.5	Very low	62.9	Low	210 Å²	210	110.9 Å²	110.9	82%	0.824	62%	0.615	S	S	*	*			trans	-71.5	86.8	164.3	-66.3	-80.6	0	0	0	108.9	D62 A66	D62-Y64 HydrophobicContact CB-CD2 4.11Å; D62-Y64 HydrophobicContact CB-CE2 4.35Å; D62-Y64 PolarHBondContact O-N 2.89Å; Y64-A66 PolarHBondContact O-N 3.49Å
65	K	56	Low	65.3	Low	198 Å²	198	107 Å²	107	86%	0.861	60%	0.603	S	S	*	*			trans	-49.3	113.9	163.1	-72.6	-178	177.5	177.7	0	107.1	G63 S67	G63-K65 VanDerWaalsContact C-N 3.29Å; G63-K65 PolarHBondContact O-N 3.43Å; K65-S67 PolarHBondContact O-N 3.34Å; K65-S67 VanDerWaalsContact O-N 3.07Å
66	A	65.3	Low	67.6	Low	97 Å²	97	100.9 Å²	100.9	80%	0.802	57%	0.571	S	S	*	*			trans	-48.5	122.5	170.4	0	0	0	0	0	107.4	Y64 D68	Y64-A66 PolarHBondContact O-N 3.49Å; A66-D68 PolarHBondContact O-N 3.34Å
67	S	75.7	Confident	70.2	Confident	82 Å²	82	97.3 Å²	97.3	57%	0.573	56%	0.555	S	S	*	*			trans	-58.7	131.4	-179.2	56.5	0	0	0	0	108.9	K65 D69	K65-S67 PolarHBondContact O-N 3.34Å; K65-S67 VanDerWaalsContact O-N 3.07Å; S67-D69 PolarHBondContact O-N 3.41Å; S67-D69 VanDerWaalsContact O-N 3.12Å
68	D	88.4	Confident	72.6	Confident	71 Å²	71	93.4 Å²	93.4	38%	0.38	53%	0.527	S	S	.	.	S	Bend	trans	-69.9	-4.4	177.7	-161.1	32.9	0	0	0	112.4	S42 L43 A44 P45 A66	S42-D68 CarbonylContact C-O 3.54Å; S42-D68 VanDerWaalsContact C-O 3.28Å; S42-D68 WeakPolarHBondContact CA-O 3.43Å; S42-D68 VanDerWaalsContact CA-OD2 3.22Å; S42-D68 WeakPolarHBondContact CA-OD2 3.44Å; S42-D68 WeakPolarHBondContact CB-OD2 3.41Å; S42-D68 PolarHBondContact N-O 3.18Å; S42-D68 PolarHBondContact OG-OD2 2.92Å; L43-D68 PolarHBondContact N-O 3.1Å; L43-D68 VanDerWaalsContact N-O 3.16Å; A44-D68 VanDerWaalsContact CB-C 3.45Å; A44-D68 WeakPolarHBondContact CB-O 3.44Å; A44-D68 PolarHBondContact N-O 2.9Å; P45-D68 WeakPolarHBondContact CD-OD1 3.3Å; P45-D68 WeakPolarHBondContact CG-OD1 3.22Å; A66-D68 PolarHBondContact O-N 3.34Å
69	D	91.3	Very high	75.3	Confident	49 Å²	49	85.5 Å²	85.5	26%	0.262	49%	0.492	S	S	.	.	S	Bend	trans	-95.5	145.6	-174.6	-55.3	-20.1	0	0	0	111.7	L39 L40 P41 S42 S67 P71	L39-D69 HydrophobicContact CD1-CB 4.4Å; L39-D69 HydrophobicContact CD2-CB 3.88Å; L39-D69 HydrophobicContact CG-CB 4.11Å; L40-D69 CarbonylContact O-C 3.58Å; L40-D69 VanDerWaalsContact O-CA 3.26Å; L40-D69 WeakPolarHBondContact O-CA 3.38Å; P41-D69 WeakPolarHBondContact CA-OD1 3.35Å; S42-D69 PolarHBondContact N-OD1 3.42Å; S67-D69 PolarHBondContact O-N 3.41Å; S67-D69 VanDerWaalsContact O-N 3.12Å; D69-P71 WeakPolarHBondContact O-CD 3.47Å
70	V	92.2	Very high	77.8	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	46%	0.457	C	S	.	.	B	Isolated β-bridge	trans	-82.7	119.1	169.2	-172.8	0	0	0	0	108.8	V36 L40 L43 A44 L47 L48 K74 I76	V36-V70 HydrophobicContact CG2-CG1 3.92Å; L40-V70 HydrophobicContact CB-CB 3.93Å; L40-V70 HydrophobicContact CB-CG2 4.2Å; L40-V70 HydrophobicContact CD1-CB 4.21Å; L40-V70 HydrophobicContact CD1-CG2 4.37Å; L40-V70 HydrophobicContact CG-CB 4.33Å; L40-V70 PolarHBondContact N-O 3.47Å; L40-V70 VanDerWaalsContact N-O 3.12Å; L40-V70 PolarHBondContact O-N 2.86Å; L43-V70 HydrophobicContact CB-CG2 4.22Å; A44-V70 HydrophobicContact CB-CG2 4.35Å; L47-V70 HydrophobicContact CB-CG2 4.21Å; L47-V70 HydrophobicContact CD1-CG2 4.12Å; L48-V70 HydrophobicContact CD1-CG1 4.32Å; L48-V70 HydrophobicContact CD1-CG2 4.27Å; L48-V70 HydrophobicContact CG-CG2 4.34Å; V70-K74 HydrophobicContact CG1-CB 4.02Å; V70-K74 HydrophobicContact CG1-CG 4.11Å; V70-I76 HydrophobicContact CG1-CG2 4.24Å
71	P	92.6	Very high	80.2	Confident	65 Å²	65	81 Å²	81	42%	0.422	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-69.7	151.1	-178.1	26.5	-32	0	0	0	111.7	D69 K74	D69-P71 WeakPolarHBondContact O-CD 3.47Å; P71-K74 HydrophobicContact CG-CB 4.2Å; P71-K74 VanDerWaalsContact O-CB 3.25Å; P71-K74 WeakPolarHBondContact O-CB 3.34Å; P71-K74 PolarHBondContact O-N 3.25Å
72	V	94.1	Very high	82.5	Confident	89 Å²	89	76 Å²	76	54%	0.539	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	141	173	179.2	0	0	0	0	110.1	R37 L39 K74	R37-V72 WeakPolarHBondContact O-CG1 3.31Å; L39-V72 HydrophobicContact CB-CG2 4.16Å; L39-V72 VanDerWaalsContact N-CG2 3.32Å; V72-K74 PolarHBondContact O-N 2.97Å
73	G	94	Very high	84.9	Confident	25 Å²	25	70.4 Å²	70.4	26%	0.258	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-7.3	178.6	0	0	0	0	0	114.4	V36	V36-G73 WeakPolarHBondContact O-CA 3.27Å; V36-G73 PolarHBondContact O-N 2.89Å
74	K	93.3	Very high	87.3	Confident	86 Å²	86	67.8 Å²	67.8	37%	0.374	35%	0.354	S	S	.	.			trans	-63.5	136.7	173.1	-174.8	61.2	177	177.3	0	110.4	V36 L48 V70 P71 V72 I76	V36-K74 WeakPolarHBondContact CG2-O 3.39Å; V36-K74 PolarHBondContact N-O 3.34Å; L48-K74 HydrophobicContact CD2-CD 4.42Å; L48-K74 HydrophobicContact CD2-CG 3.97Å; V70-K74 HydrophobicContact CG1-CB 4.02Å; V70-K74 HydrophobicContact CG1-CG 4.11Å; P71-K74 HydrophobicContact CG-CB 4.2Å; P71-K74 VanDerWaalsContact O-CB 3.25Å; P71-K74 WeakPolarHBondContact O-CB 3.34Å; P71-K74 PolarHBondContact O-N 3.25Å; V72-K74 PolarHBondContact O-N 2.97Å; K74-I76 HydrophobicContact CG-CG2 4.21Å
75	N	94.8	Very high	89.3	Confident	99 Å²	99	61.2 Å²	61.2	53%	0.529	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.5	168.1	-68	-21.9	0	0	0	109.1	C34 R35	C34-N75 WeakPolarHBondContact O-CA 3.47Å; R35-N75 WeakPolarHBondContact CB-OD1 3.41Å
76	I	94.4	Very high	90.9	Very high	8 Å²	8	54 Å²	54	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	155.1	175.1	60.5	174.3	0	0	0	108.4	C34 V36 L47 L48 V70 K74 L78 L94	C34-I76 HydrophobicContact CB-CG1 4.18Å; C34-I76 PolarHBondContact N-O 3.03Å; C34-I76 PolarHBondContact O-N 2.88Å; V36-I76 HydrophobicContact CG2-CD1 3.79Å; V36-I76 HydrophobicContact CG2-CG1 4.01Å; V36-I76 HydrophobicContact CG2-CG2 4.24Å; L47-I76 HydrophobicContact CD1-CD1 4.05Å; L48-I76 HydrophobicContact CD2-CG2 3.88Å; V70-I76 HydrophobicContact CG1-CG2 4.24Å; K74-I76 HydrophobicContact CG-CG2 4.21Å; I76-L78 HydrophobicContact CD1-CD1 3.77Å; I76-L78 HydrophobicContact CD1-CD2 4.4Å; I76-L78 HydrophobicContact CD1-CG 3.96Å; I76-L78 HydrophobicContact CG1-CD1 4.45Å; I76-L78 HydrophobicContact CG1-CG 4.28Å; I76-L94 HydrophobicContact CD1-CD2 4.07Å
77	E	94.5	Very high	92.1	Very high	117 Å²	117	49.8 Å²	49.8	55%	0.547	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.3	171.4	-65.6	-171	170.9	0	0	109.4	R31 T32	R31-E77 IonicContact NE-OE2 3.64Å; R31-E77 PolarHBondContact NH2-O 3.38Å; T32-E77 WeakPolarHBondContact O-CA 3.24Å
78	L	94.9	Very high	92.5	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.1	176.9	-68.5	179.3	0	0	0	110.1	R31 T32 L47 I76 V80 L82 A83 L94	R31-L78 CarbonylContact C-O 3.59Å; R31-L78 WeakPolarHBondContact CA-O 3.41Å; T32-L78 PolarHBondContact N-O 3.01Å; T32-L78 PolarHBondContact O-N 3.02Å; L47-L78 HydrophobicContact CD2-CD2 3.68Å; I76-L78 HydrophobicContact CD1-CD1 3.77Å; I76-L78 HydrophobicContact CD1-CD2 4.4Å; I76-L78 HydrophobicContact CD1-CG 3.96Å; I76-L78 HydrophobicContact CG1-CD1 4.45Å; I76-L78 HydrophobicContact CG1-CG 4.28Å; L78-V80 PolarHBondContact O-N 2.95Å; L78-L82 HydrophobicContact CD1-CD2 4.36Å; L78-L82 HydrophobicContact CD1-CG 4.46Å; L78-L82 HydrophobicContact CD2-CD2 4.05Å; L78-A83 HydrophobicContact CB-CB 4.46Å; L78-L94 HydrophobicContact CD1-CD1 3.42Å; L78-L94 VanDerWaalsContact CD1-CD1 3.42Å
79	P	94.9	Very high	92.1	Very high	17 Å²	17	46.8 Å²	46.8	11%	0.11	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	139.7	164.5	-25.9	35.8	0	0	0	111.4	E30 W81 L82 A83	E30-P79 CarbonylContact O-C 3.28Å; E30-P79 WeakPolarHBondContact O-CA 2.9Å; P79-W81 VanDerWaalsContact C-N 3.29Å; P79-W81 HydrophobicContact CB-CG 4.38Å; P79-W81 VanDerWaalsContact CB-NE1 3.3Å; P79-W81 PolarHBondContact O-N 3.26Å; P79-L82 PolarHBondContact O-N 3.06Å; P79-A83 PolarHBondContact O-N 2.88Å
80	V	93.9	Very high	91.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56.9	-40.3	-175.9	164.3	0	0	0	0	112	S28 E30 T32 L78 L82 A83 I84 P99 L129 L133	S28-V80 PolarHBondContact O-N 3.42Å; S28-V80 VanDerWaalsContact O-N 3.13Å; E30-V80 VanDerWaalsContact O-CG2 3.27Å; E30-V80 WeakPolarHBondContact O-CG2 3.22Å; E30-V80 PolarHBondContact O-N 3.42Å; T32-V80 HydrophobicContact CG2-CG2 3.71Å; L78-V80 PolarHBondContact O-N 2.95Å; V80-L82 VanDerWaalsContact C-N 3.29Å; V80-L82 PolarHBondContact O-N 3.04Å; V80-A83 PolarHBondContact O-N 3.07Å; V80-I84 HydrophobicContact CG1-CD1 3.56Å; V80-I84 HydrophobicContact CG1-CG1 4.19Å; V80-I84 WeakPolarHBondContact O-CB 3.43Å; V80-I84 VanDerWaalsContact O-CG1 3.24Å; V80-I84 WeakPolarHBondContact O-CG1 3.22Å; V80-I84 PolarHBondContact O-N 3.21Å; V80-P99 HydrophobicContact CG2-CG 4.03Å; V80-L129 HydrophobicContact CB-CD1 4.19Å; V80-L129 HydrophobicContact CG1-CD1 4.06Å; V80-L129 HydrophobicContact CG2-CD1 4.05Å; V80-L133 HydrophobicContact CG1-CD2 3.94Å
81	W	93.1	Very high	91.1	Very high	128 Å²	128	67 Å²	67	49%	0.485	34%	0.344	S	S	.	.	H	α-helix	trans	-57.2	-42.3	176.9	65.5	-97.1	0	0	0	112.5	S28 P79 A85	S28-W81 VanDerWaalsContact O-CD1 3.29Å; S28-W81 PolarHBondContact O-N 3.49Å; S28-W81 VanDerWaalsContact O-N 3.1Å; P79-W81 VanDerWaalsContact C-N 3.29Å; P79-W81 HydrophobicContact CB-CG 4.38Å; P79-W81 VanDerWaalsContact CB-NE1 3.3Å; P79-W81 PolarHBondContact O-N 3.26Å; W81-A85 WeakPolarHBondContact O-CB 3.24Å; W81-A85 PolarHBondContact O-N 3.13Å
82	L	93.2	Very high	90.8	Very high	53 Å²	53	68.8 Å²	68.8	28%	0.277	35%	0.347	S	S	.	.	H	α-helix	trans	-74.7	-41.4	-178.5	-177.7	61.5	0	0	0	110.7	L78 P79 V80 I84 A85 V86	L78-L82 HydrophobicContact CD1-CD2 4.36Å; L78-L82 HydrophobicContact CD1-CG 4.46Å; L78-L82 HydrophobicContact CD2-CD2 4.05Å; P79-L82 PolarHBondContact O-N 3.06Å; V80-L82 VanDerWaalsContact C-N 3.29Å; V80-L82 PolarHBondContact O-N 3.04Å; L82-I84 VanDerWaalsContact C-N 3.3Å; L82-I84 PolarHBondContact O-N 3.44Å; L82-A85 PolarHBondContact O-N 2.91Å; L82-V86 HydrophobicContact CD1-CG2 3.92Å; L82-V86 HydrophobicContact CG-CG2 4.45Å; L82-V86 WeakPolarHBondContact O-CB 3.41Å; L82-V86 WeakPolarHBondContact O-CG2 3.45Å; L82-V86 PolarHBondContact O-N 3.27Å
83	A	93.9	Very high	90.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-56.2	-46	174.5	0	0	0	0	0	111.2	T32 C34 L78 P79 V80 G87 I96	T32-A83 HydrophobicContact CG2-CB 4Å; C34-A83 WeakPolarHBondContact SG-CB 3.27Å; L78-A83 HydrophobicContact CB-CB 4.46Å; P79-A83 PolarHBondContact O-N 2.88Å; V80-A83 PolarHBondContact O-N 3.07Å; A83-G87 WeakPolarHBondContact O-CA 3.31Å; A83-G87 PolarHBondContact O-N 2.95Å; A83-I96 VanDerWaalsContact C-CD1 3.5Å; A83-I96 HydrophobicContact CB-CD1 4.41Å; A83-I96 HydrophobicContact CB-CG1 4.17Å; A83-I96 HydrophobicContact CB-CG2 4.29Å; A83-I96 WeakPolarHBondContact O-CD1 3.42Å
84	I	92.8	Very high	90.7	Very high	20 Å²	20	65.7 Å²	65.7	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-49.7	176.6	-68.7	173.3	0	0	0	111	V80 L82 V86 G87 S88 I96 N132 M135	V80-I84 HydrophobicContact CG1-CD1 3.56Å; V80-I84 HydrophobicContact CG1-CG1 4.19Å; V80-I84 WeakPolarHBondContact O-CB 3.43Å; V80-I84 VanDerWaalsContact O-CG1 3.24Å; V80-I84 WeakPolarHBondContact O-CG1 3.22Å; V80-I84 PolarHBondContact O-N 3.21Å; L82-I84 VanDerWaalsContact C-N 3.3Å; L82-I84 PolarHBondContact O-N 3.44Å; I84-V86 PolarHBondContact O-N 3.23Å; I84-G87 PolarHBondContact O-N 2.78Å; I84-S88 WeakPolarHBondContact O-CB 3.17Å; I84-S88 PolarHBondContact O-N 3.23Å; I84-S88 PolarHBondContact O-OG 3.37Å; I84-I96 HydrophobicContact CB-CD1 4.45Å; I84-I96 HydrophobicContact CG1-CD1 4.05Å; I84-N132 VanDerWaalsContact CD1-O 3.22Å; I84-N132 WeakPolarHBondContact CD1-O 3.3Å; I84-M135 HydrophobicContact CG2-CB 4.07Å
85	A	91.2	Very high	90.7	Very high	72 Å²	72	63.5 Å²	63.5	60%	0.595	32%	0.317	S	S	*	.	H	α-helix	trans	-57.6	-38.8	-178.6	0	0	0	0	0	112.7	W81 L82	W81-A85 WeakPolarHBondContact O-CB 3.24Å; W81-A85 PolarHBondContact O-N 3.13Å; L82-A85 PolarHBondContact O-N 2.91Å
86	V	91	Very high	90.6	Very high	46 Å²	46	59.5 Å²	59.5	28%	0.279	30%	0.295	S	S	.	.	H	α-helix	trans	-90.2	-30.5	-176.6	177.3	0	0	0	0	112.4	L82 I84 I93 L94	L82-V86 HydrophobicContact CD1-CG2 3.92Å; L82-V86 HydrophobicContact CG-CG2 4.45Å; L82-V86 WeakPolarHBondContact O-CB 3.41Å; L82-V86 WeakPolarHBondContact O-CG2 3.45Å; L82-V86 PolarHBondContact O-N 3.27Å; I84-V86 PolarHBondContact O-N 3.23Å; V86-I93 HydrophobicContact CG1-CB 3.62Å; V86-I93 HydrophobicContact CG1-CD1 4.07Å; V86-I93 HydrophobicContact CG1-CG1 4.41Å; V86-I93 HydrophobicContact CG1-CG2 3.77Å; V86-I93 PolarHBondContact O-N 3.09Å; V86-L94 HydrophobicContact CB-CD1 4.06Å; V86-L94 HydrophobicContact CG1-CD1 3.77Å; V86-L94 HydrophobicContact CG1-CG 3.82Å
87	G	90.1	Very high	90.6	Very high	9 Å²	9	61.2 Å²	61.2	9%	0.093	31%	0.305	C	S	.	.	H	α-helix	trans	-90.1	-35.6	-175.5	0	0	0	0	0	115	A83 I84 G89 L94	A83-G87 WeakPolarHBondContact O-CA 3.31Å; A83-G87 PolarHBondContact O-N 2.95Å; I84-G87 PolarHBondContact O-N 2.78Å; G87-G89 VanDerWaalsContact C-N 3.32Å; G87-G89 PolarHBondContact O-N 3.2Å; G87-L94 WeakPolarHBondContact CA-O 3.47Å
88	S	84.1	Confident	90.6	Very high	55 Å²	55	55.8 Å²	55.8	39%	0.385	28%	0.279	S	S	.	.	S	Bend	trans	-80	-9.1	-176.4	-59.2	0	0	0	0	114.2	I84 M135 S136	I84-S88 WeakPolarHBondContact O-CB 3.17Å; I84-S88 PolarHBondContact O-N 3.23Å; I84-S88 PolarHBondContact O-OG 3.37Å; S88-M135 PolarHBondContact OG-O 3.47Å; S88-M135 VanDerWaalsContact OG-O 3.11Å; S88-S136 WeakPolarHBondContact OG-CA 3.28Å; S88-S136 PolarHBondContact OG-O 2.83Å
89	G	78.9	Confident	90.5	Very high	35 Å²	35	55.3 Å²	55.3	36%	0.361	28%	0.277	S	S	.	.	S	Bend	trans	-77.2	170.9	-178.9	0	0	0	0	0	114.1	G87 R91 Q92	G87-G89 VanDerWaalsContact C-N 3.32Å; G87-G89 PolarHBondContact O-N 3.2Å; G89-R91 PolarHBondContact O-N 3.11Å; G89-R91 VanDerWaalsContact O-N 3.09Å; G89-Q92 VanDerWaalsContact O-CG 3.3Å; G89-Q92 WeakPolarHBondContact O-CG 3.38Å; G89-Q92 PolarHBondContact O-N 2.98Å
90	R	80.8	Confident	90.4	Very high	259 Å²	259	57.5 Å²	57.5	98%	0.977	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.9	177.8	-67.4	-174.1	-176.4	-175.5	1.5	114.1	Q92	R90-Q92 VanDerWaalsContact C-N 3.34Å
91	R	83	Confident	90.4	Very high	213 Å²	213	57.9 Å²	57.9	80%	0.804	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.8	-178.2	-64.3	-177.4	-177.9	178.2	0.6	113	G89 I93	G89-R91 PolarHBondContact O-N 3.11Å; G89-R91 VanDerWaalsContact O-N 3.09Å; R91-I93 VanDerWaalsContact C-N 3.27Å; R91-I93 HydrophobicContact CB-CD1 4.29Å; R91-I93 HydrophobicContact CB-CG1 3.87Å; R91-I93 PolarHBondContact O-N 3.24Å
92	Q	86.2	Confident	90.5	Very high	104 Å²	104	52 Å²	52	49%	0.486	27%	0.271	S	S	.	.			trans	39.8	54.5	-178.1	-61.4	-174.6	-9.4	0	0	112.6	R37 G89 R90 L94	R37-Q92 VanDerWaalsContact CD-O 3.26Å; R37-Q92 WeakPolarHBondContact CD-O 3.48Å; G89-Q92 VanDerWaalsContact O-CG 3.3Å; G89-Q92 WeakPolarHBondContact O-CG 3.38Å; G89-Q92 PolarHBondContact O-N 2.98Å; R90-Q92 VanDerWaalsContact C-N 3.34Å; Q92-L94 PolarHBondContact O-N 3.27Å
93	I	92.6	Very high	90.6	Very high	43 Å²	43	53.9 Å²	53.9	22%	0.221	27%	0.274	C	S	.	.			trans	-64	-29.7	-172.7	-65.7	167.6	0	0	0	110.6	R37 L40 V86 R91	R37-I93 WeakPolarHBondContact CB-O 3.5Å; R37-I93 PolarHBondContact N-O 3.28Å; L40-I93 HydrophobicContact CD2-CG2 3.55Å; V86-I93 HydrophobicContact CG1-CB 3.62Å; V86-I93 HydrophobicContact CG1-CD1 4.07Å; V86-I93 HydrophobicContact CG1-CG1 4.41Å; V86-I93 HydrophobicContact CG1-CG2 3.77Å; V86-I93 PolarHBondContact O-N 3.09Å; R91-I93 VanDerWaalsContact C-N 3.27Å; R91-I93 HydrophobicContact CB-CD1 4.29Å; R91-I93 HydrophobicContact CB-CG1 3.87Å; R91-I93 PolarHBondContact O-N 3.24Å
94	L	93.5	Very high	90.5	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.5	179.8	-58.4	176.5	0	0	0	111.1	C34 R35 V36 I76 L78 V86 G87 Q92	C34-L94 HydrophobicContact CB-CB 4.38Å; C34-L94 HydrophobicContact CB-CD1 4.29Å; R35-L94 WeakPolarHBondContact O-CA 3.43Å; V36-L94 HydrophobicContact CB-CD2 4.3Å; V36-L94 HydrophobicContact CG2-CD2 3.8Å; I76-L94 HydrophobicContact CD1-CD2 4.07Å; L78-L94 HydrophobicContact CD1-CD1 3.42Å; L78-L94 VanDerWaalsContact CD1-CD1 3.42Å; V86-L94 HydrophobicContact CB-CD1 4.06Å; V86-L94 HydrophobicContact CG1-CD1 3.77Å; V86-L94 HydrophobicContact CG1-CG 3.82Å; G87-L94 WeakPolarHBondContact CA-O 3.47Å; Q92-L94 PolarHBondContact O-N 3.27Å
95	S	92.7	Very high	90.4	Very high	41 Å²	41	60.8 Å²	60.8	29%	0.287	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	114.4	161.3	-155.3	0	0	0	0	108.7	C34 R35 R37	C34-S95 CarbonylContact C-O 2.99Å; C34-S95 VanDerWaalsContact CA-O 3.27Å; C34-S95 WeakPolarHBondContact CA-O 3.46Å; R35-S95 PolarHBondContact N-O 3.06Å; R35-S95 PolarHBondContact O-N 3.13Å; R37-S95 PolarHBondContact NH2-OG 3.41Å
96	I	93.6	Very high	90.4	Very high	15 Å²	15	59.7 Å²	59.7	8%	0.077	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.5	-179.6	-51.2	170	0	0	0	108.6	T32 A83 I84 H138	T32-I96 HydrophobicContact CG2-CG2 3.97Å; A83-I96 VanDerWaalsContact C-CD1 3.5Å; A83-I96 HydrophobicContact CB-CD1 4.41Å; A83-I96 HydrophobicContact CB-CG1 4.17Å; A83-I96 HydrophobicContact CB-CG2 4.29Å; A83-I96 WeakPolarHBondContact O-CD1 3.42Å; I84-I96 HydrophobicContact CB-CD1 4.45Å; I84-I96 HydrophobicContact CG1-CD1 4.05Å; I96-H138 PolarHBondContact O-CD2 3Å
97	D	93.6	Very high	90.5	Very high	44 Å²	44	58.3 Å²	58.3	24%	0.235	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-93.7	158.3	162.4	-170.3	24	0	0	0	109.8	T32 S33 R103 R140	T32-D97 PolarHBondContact OG1-O 3.09Å; S33-D97 WeakPolarHBondContact O-CB 3.32Å; S33-D97 PolarHBondContact O-N 2.85Å; D97-R103 IonicContact OD2-CZ 3.9Å; D97-R103 IonicContact OD2-NE 2.72Å; D97-R103 PolarHBondContact OD2-NE 2.59Å; D97-R103 IonicContact OD2-NH2 3.47Å; D97-R103 PolarHBondContact OD2-NH2 3.48Å; D97-R140 IonicContact OD1-NH2 2.74Å; D97-R140 PolarHBondContact OD1-NH2 3.2Å
98	V	94	Very high	90.8	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.012	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-77.8	142.3	177	-53.5	0	0	0	0	109.8	R103 I144	V98-R103 HydrophobicContact CG2-CG 3.82Å; V98-I144 HydrophobicContact CB-CD1 4.17Å; V98-I144 HydrophobicContact CG1-CD1 3.73Å; V98-I144 HydrophobicContact CG2-CD1 4.43Å
99	P	94.2	Very high	91.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-52.9	151.3	174.4	-27.2	32.9	0	0	0	112.6	V80 I101 Y102 L129 L133	V80-P99 HydrophobicContact CG2-CG 4.03Å; P99-I101 VanDerWaalsContact C-N 3.27Å; P99-I101 PolarHBondContact O-N 3.23Å; P99-I101 VanDerWaalsContact O-N 3.1Å; P99-Y102 HydrophobicContact CB-CD2 3.85Å; P99-Y102 HydrophobicContact CB-CE2 4.09Å; P99-Y102 HydrophobicContact CG-CD2 4.02Å; P99-Y102 HydrophobicContact CG-CE2 4.11Å; P99-Y102 PolarHBondContact O-N 2.64Å; P99-L129 HydrophobicContact CB-CD2 4.26Å; P99-L129 HydrophobicContact CG-CD2 4.13Å; P99-L133 HydrophobicContact CG-CD1 4.17Å; P99-L133 HydrophobicContact CG-CD2 4.48Å
100	P	92.2	Very high	92.1	Very high	63 Å²	63	63.2 Å²	63.2	41%	0.409	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-53	-37.9	-171.5	-29.1	35.7	0	0	0	115.2	Y102 R103 F106	P100-Y102 PolarHBondContact O-N 3Å; P100-R103 WeakPolarHBondContact O-CB 3.25Å; P100-R103 PolarHBondContact O-N 3.45Å; P100-R103 VanDerWaalsContact O-N 3.17Å; P100-F106 VanDerWaalsContact O-CD2 3.31Å; P100-F106 WeakPolarHBondContact O-CD2 3.35Å
101	I	94.2	Very high	92.7	Very high	9 Å²	9	57.3 Å²	57.3	5%	0.046	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-64.8	-17	-179.8	-165.2	163.1	0	0	0	114	P99 F106 F110 L119 K122 Y126	P99-I101 VanDerWaalsContact C-N 3.27Å; P99-I101 PolarHBondContact O-N 3.23Å; P99-I101 VanDerWaalsContact O-N 3.1Å; I101-F106 WeakPolarHBondContact O-CB 3.47Å; I101-F110 HydrophobicContact CG1-CZ 4.47Å; I101-L119 HydrophobicContact CD1-CD2 4.1Å; I101-K122 HydrophobicContact CD1-CB 3.69Å; I101-Y126 HydrophobicContact CD1-CD2 3.61Å; I101-Y126 HydrophobicContact CD1-CE2 4.23Å; I101-Y126 HydrophobicContact CD1-CG 4.47Å; I101-Y126 HydrophobicContact CG1-CD2 3.89Å; I101-Y126 HydrophobicContact CG1-CE2 4.04Å; I101-Y126 HydrophobicContact CG2-CD2 4.17Å; I101-Y126 HydrophobicContact CG2-CE2 4.48Å
102	Y	95.6	Very high	93.4	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.02	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-106	6.2	177.8	-51.4	-70	0	0	0	113.8	P99 P100 Y126 L129 L130 L133 I144	P99-Y102 HydrophobicContact CB-CD2 3.85Å; P99-Y102 HydrophobicContact CB-CE2 4.09Å; P99-Y102 HydrophobicContact CG-CD2 4.02Å; P99-Y102 HydrophobicContact CG-CE2 4.11Å; P99-Y102 PolarHBondContact O-N 2.64Å; P100-Y102 PolarHBondContact O-N 3Å; Y102-Y126 HydrophobicContact CD1-CD2 4.42Å; Y102-Y126 AromaticContact CD1-CE2 3.71Å; Y102-Y126 HydrophobicContact CD1-CE2 3.71Å; Y102-Y126 AromaticContact CE1-CD2 3.62Å; Y102-Y126 HydrophobicContact CE1-CD2 3.62Å; Y102-Y126 AromaticContact CE1-CE2 3.23Å; Y102-Y126 HydrophobicContact CE1-CE2 3.23Å; Y102-Y126 AromaticContact CE1-CZ 3.87Å; Y102-Y126 PolarHBondContact OH-O 3.33Å; Y102-L129 HydrophobicContact CE2-CD2 3.68Å; Y102-L129 HydrophobicContact CE2-CG 3.84Å; Y102-L129 WeakPolarHBondContact OH-CB 3.44Å; Y102-L129 WeakPolarHBondContact OH-CG 3.18Å; Y102-L130 HydrophobicContact CE1-CB 4.1Å; Y102-L130 HydrophobicContact CE1-CD1 4.25Å; Y102-L130 PolarHBondContact OH-N 3.11Å; Y102-L130 VanDerWaalsContact OH-N 3.09Å; Y102-L133 HydrophobicContact CD2-CD1 3.59Å; Y102-L133 HydrophobicContact CE2-CD1 3.43Å; Y102-L133 VanDerWaalsContact CE2-CD1 3.43Å; Y102-L133 HydrophobicContact CG-CD1 4.4Å; Y102-I144 HydrophobicContact CD1-CG2 3.34Å; Y102-I144 HydrophobicContact CE1-CG2 4.12Å; Y102-I144 HydrophobicContact CG-CG2 3.77Å
103	R	93.8	Very high	93.8	Very high	92 Å²	92	49.5 Å²	49.5	35%	0.347	28%	0.277	S	S	.	.	S	Bend	trans	-76.1	158.1	174.3	-65.3	-179.1	176.3	157.3	-4.7	110.2	D97 V98 P100 A105 F106 T107	D97-R103 IonicContact OD2-CZ 3.9Å; D97-R103 IonicContact OD2-NE 2.72Å; D97-R103 PolarHBondContact OD2-NE 2.59Å; D97-R103 IonicContact OD2-NH2 3.47Å; D97-R103 PolarHBondContact OD2-NH2 3.48Å; V98-R103 HydrophobicContact CG2-CG 3.82Å; P100-R103 WeakPolarHBondContact O-CB 3.25Å; P100-R103 PolarHBondContact O-N 3.45Å; P100-R103 VanDerWaalsContact O-N 3.17Å; R103-A105 PolarHBondContact O-N 3.25Å; R103-F106 PolarHBondContact O-N 3.23Å; R103-T107 PolarHBondContact O-N 3.16Å; R103-T107 PolarHBondContact O-OG1 3.18Å
104	N	92.1	Very high	93.9	Very high	94 Å²	94	48.1 Å²	48.1	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-50.7	-36.8	-173.6	-59.1	7.6	0	0	0	113.9	F106 T107 E108	N104-F106 VanDerWaalsContact C-N 3.25Å; N104-F106 PolarHBondContact O-N 3.05Å; N104-T107 WeakPolarHBondContact O-CA 3.3Å; N104-T107 VanDerWaalsContact O-CB 3.3Å; N104-T107 WeakPolarHBondContact O-CB 3.38Å; N104-T107 PolarHBondContact O-N 2.65Å; N104-E108 PolarHBondContact O-N 2.75Å
105	A	90.9	Very high	93.9	Very high	70 Å²	70	49.3 Å²	49.3	58%	0.579	28%	0.279	S	S	*	.	H	α-helix	trans	-57.2	-36.5	177.2	0	0	0	0	0	113.2	R103 V109	R103-A105 PolarHBondContact O-N 3.25Å; A105-V109 WeakPolarHBondContact O-CG2 3.37Å
106	F	92.4	Very high	94	Very high	49 Å²	49	51.6 Å²	51.6	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-82.1	-31	173.3	-84.1	-80	0	0	0	112.3	P100 I101 R103 N104 E108 V109 F110 K122	P100-F106 VanDerWaalsContact O-CD2 3.31Å; P100-F106 WeakPolarHBondContact O-CD2 3.35Å; I101-F106 WeakPolarHBondContact O-CB 3.47Å; R103-F106 PolarHBondContact O-N 3.23Å; N104-F106 VanDerWaalsContact C-N 3.25Å; N104-F106 PolarHBondContact O-N 3.05Å; F106-E108 VanDerWaalsContact C-N 3.31Å; F106-E108 PolarHBondContact O-N 3.02Å; F106-V109 PolarHBondContact O-N 3.06Å; F106-F110 HydrophobicContact CB-CD2 4.34Å; F106-F110 HydrophobicContact CB-CE2 4.11Å; F106-F110 WeakPolarHBondContact O-CD2 3.45Å; F106-F110 WeakPolarHBondContact O-CG 3.39Å; F106-F110 PolarHBondContact O-N 3.24Å; F106-K122 HydrophobicContact CE1-CD 4.2Å; F106-K122 HydrophobicContact CE1-CG 4.19Å; F106-K122 HydrophobicContact CZ-CD 3.93Å; F106-K122 HydrophobicContact CZ-CG 4.38Å
107	T	92.8	Very high	94	Very high	17 Å²	17	51.4 Å²	51.4	10%	0.104	29%	0.291	C	S	.	.	H	α-helix	trans	-56	-46.4	172.9	-50.7	0	0	0	0	111.2	R103 N104 V109 F110 E111 T147	R103-T107 PolarHBondContact O-N 3.16Å; R103-T107 PolarHBondContact O-OG1 3.18Å; N104-T107 WeakPolarHBondContact O-CA 3.3Å; N104-T107 VanDerWaalsContact O-CB 3.3Å; N104-T107 WeakPolarHBondContact O-CB 3.38Å; N104-T107 PolarHBondContact O-N 2.65Å; T107-V109 VanDerWaalsContact C-N 3.32Å; T107-V109 PolarHBondContact O-N 3Å; T107-F110 PolarHBondContact O-N 3.22Å; T107-E111 WeakPolarHBondContact O-CG 3.39Å; T107-E111 PolarHBondContact O-N 2.85Å; T107-T147 HydrophobicContact CG2-CG2 4.18Å
108	E	94.7	Very high	94.1	Very high	132 Å²	132	51.7 Å²	51.7	62%	0.617	29%	0.292	S	S	*	.	H	α-helix	trans	-60.7	-39.8	177	-69.9	170.3	-162.9	0	0	112.2	N104 F106 E111 A112	N104-E108 PolarHBondContact O-N 2.75Å; F106-E108 VanDerWaalsContact C-N 3.31Å; F106-E108 PolarHBondContact O-N 3.02Å; E108-E111 PolarHBondContact O-N 3.19Å; E108-A112 PolarHBondContact O-N 3.29Å; E108-A112 VanDerWaalsContact O-N 3.1Å
109	V	95.3	Very high	94.2	Very high	58 Å²	58	51.6 Å²	51.6	35%	0.352	29%	0.292	S	S	.	.	H	α-helix	trans	-65.9	-43.3	175.8	178.4	0	0	0	0	111.2	A105 F106 T107 E111 A112 D113 V116 V117	A105-V109 WeakPolarHBondContact O-CG2 3.37Å; F106-V109 PolarHBondContact O-N 3.06Å; T107-V109 VanDerWaalsContact C-N 3.32Å; T107-V109 PolarHBondContact O-N 3Å; V109-E111 VanDerWaalsContact C-N 3.32Å; V109-E111 PolarHBondContact O-N 3.41Å; V109-A112 PolarHBondContact O-N 3.35Å; V109-D113 CarbonylContact O-C 3.57Å; V109-D113 PolarHBondContact O-N 2.8Å; V109-V116 HydrophobicContact CG1-CG2 4.39Å; V109-V117 HydrophobicContact CG1-CG2 3.55Å
110	F	96.2	Very high	94.2	Very high	12 Å²	12	57.5 Å²	57.5	5%	0.053	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-31.6	177.1	-73.1	-51.9	0	0	0	113.1	I101 F106 T107 P114 V117 L119 Y126 T147 V151	I101-F110 HydrophobicContact CG1-CZ 4.47Å; F106-F110 HydrophobicContact CB-CD2 4.34Å; F106-F110 HydrophobicContact CB-CE2 4.11Å; F106-F110 WeakPolarHBondContact O-CD2 3.45Å; F106-F110 WeakPolarHBondContact O-CG 3.39Å; F106-F110 PolarHBondContact O-N 3.24Å; T107-F110 PolarHBondContact O-N 3.22Å; F110-P114 HydrophobicContact CD1-CB 4.11Å; F110-P114 WeakPolarHBondContact O-CD 3.24Å; F110-V117 HydrophobicContact CD1-CG2 4.01Å; F110-V117 HydrophobicContact CE1-CB 3.93Å; F110-V117 HydrophobicContact CE1-CG1 4.01Å; F110-V117 HydrophobicContact CE1-CG2 3.76Å; F110-V117 HydrophobicContact CZ-CG1 4.23Å; F110-L119 HydrophobicContact CE1-CD2 4.04Å; F110-L119 HydrophobicContact CZ-CD2 3.87Å; F110-Y126 AromaticContact CE2-CE2 3.98Å; F110-Y126 HydrophobicContact CE2-CE2 3.98Å; F110-Y126 AromaticContact CZ-CE2 3.96Å; F110-Y126 HydrophobicContact CZ-CE2 3.96Å; F110-T147 HydrophobicContact CB-CG2 4.08Å; F110-V151 HydrophobicContact CB-CG2 3.67Å; F110-V151 HydrophobicContact CD1-CB 4.48Å; F110-V151 HydrophobicContact CD1-CG1 4.08Å; F110-V151 HydrophobicContact CD1-CG2 3.49Å; F110-V151 VanDerWaalsContact CD1-CG2 3.49Å; F110-V151 HydrophobicContact CD2-CG2 4.25Å; F110-V151 HydrophobicContact CE1-CG1 4.05Å; F110-V151 HydrophobicContact CE1-CG2 4.16Å; F110-V151 HydrophobicContact CG-CG2 3.56Å
111	E	94.1	Very high	94.2	Very high	135 Å²	135	64.1 Å²	64.1	63%	0.631	33%	0.334	S	S	*	.	H	α-helix	trans	-69.8	-34.7	173.9	-75.8	-179.6	173.6	0	0	112.2	T107 E108 V109	T107-E111 WeakPolarHBondContact O-CG 3.39Å; T107-E111 PolarHBondContact O-N 2.85Å; E108-E111 PolarHBondContact O-N 3.19Å; V109-E111 VanDerWaalsContact C-N 3.32Å; V109-E111 PolarHBondContact O-N 3.41Å
112	A	96.1	Very high	94.2	Very high	90 Å²	90	68.9 Å²	68.9	74%	0.744	36%	0.355	S	S	*	.	H	α-helix	trans	-73	-58.3	176.7	0	0	0	0	0	112.4	E108 V109	E108-A112 PolarHBondContact O-N 3.29Å; E108-A112 VanDerWaalsContact O-N 3.1Å; V109-A112 PolarHBondContact O-N 3.35Å
113	D	95.3	Very high	93.8	Very high	64 Å²	64	69.4 Å²	69.4	34%	0.342	36%	0.361	S	S	.	.			trans	-158.4	112.3	172.5	-175.8	-1.7	0	0	0	110.8	V109 C115 V116	V109-D113 CarbonylContact O-C 3.57Å; V109-D113 PolarHBondContact O-N 2.8Å; D113-C115 PolarHBondContact O-N 3.22Å; D113-C115 VanDerWaalsContact OD1-CB 3.29Å; D113-C115 WeakPolarHBondContact OD1-CB 3.27Å; D113-C115 PolarHBondContact OD1-N 3.4Å; D113-V116 HydrophobicContact CB-CG1 4.19Å; D113-V116 HydrophobicContact CB-CG2 4.33Å; D113-V116 VanDerWaalsContact O-CG2 3.25Å; D113-V116 WeakPolarHBondContact O-CG2 3.14Å; D113-V116 WeakPolarHBondContact OD2-CG1 3.38Å
114	P	95.3	Very high	93.7	Very high	14 Å²	14	67.7 Å²	67.7	9%	0.091	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-70.9	-17.1	178.2	29.7	-35.2	0	0	0	114	F110 V151 S154 R155	F110-P114 HydrophobicContact CD1-CB 4.11Å; F110-P114 WeakPolarHBondContact O-CD 3.24Å; P114-V151 HydrophobicContact CB-CB 4.2Å; P114-V151 HydrophobicContact CB-CG1 3.99Å; P114-V151 HydrophobicContact CB-CG2 4.01Å; P114-S154 VanDerWaalsContact CG-CB 3.41Å; P114-S154 WeakPolarHBondContact CG-OG 3.28Å; P114-R155 HydrophobicContact CB-CG 4.23Å; P114-R155 WeakPolarHBondContact O-CD 3.3Å; P114-R155 PolarHBondContact O-NH1 3.04Å
115	C	93.7	Very high	93.7	Very high	29 Å²	29	64.5 Å²	64.5	20%	0.196	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-79.3	-18.3	-177.5	-65.7	0	0	0	0	113.2	D113 V117 M158	D113-C115 PolarHBondContact O-N 3.22Å; D113-C115 VanDerWaalsContact OD1-CB 3.29Å; D113-C115 WeakPolarHBondContact OD1-CB 3.27Å; D113-C115 PolarHBondContact OD1-N 3.4Å; C115-V117 VanDerWaalsContact C-N 3.32Å; C115-M158 HydrophobicContact CB-CE 4.4Å; C115-M158 HydrophobicContact CB-SD 4.11Å
116	V	93	Very high	93.9	Very high	89 Å²	89	61.3 Å²	61.3	54%	0.539	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-77.7	-18.3	177.2	-60	0	0	0	0	113.3	V109 D113	V109-V116 HydrophobicContact CG1-CG2 4.39Å; D113-V116 HydrophobicContact CB-CG1 4.19Å; D113-V116 HydrophobicContact CB-CG2 4.33Å; D113-V116 VanDerWaalsContact O-CG2 3.25Å; D113-V116 WeakPolarHBondContact O-CG2 3.14Å; D113-V116 WeakPolarHBondContact OD2-CG1 3.38Å
117	V	94.6	Very high	94	Very high	11 Å²	11	59.7 Å²	59.7	7%	0.067	31%	0.312	C	S	.	.	S	Bend	trans	-78.7	127.4	-177.3	-174.7	0	0	0	0	110.8	V109 F110 C115 L119 K122 R155	V109-V117 HydrophobicContact CG1-CG2 3.55Å; F110-V117 HydrophobicContact CD1-CG2 4.01Å; F110-V117 HydrophobicContact CE1-CB 3.93Å; F110-V117 HydrophobicContact CE1-CG1 4.01Å; F110-V117 HydrophobicContact CE1-CG2 3.76Å; F110-V117 HydrophobicContact CZ-CG1 4.23Å; C115-V117 VanDerWaalsContact C-N 3.32Å; V117-L119 HydrophobicContact CG1-CD2 4.03Å; V117-L119 PolarHBondContact O-N 3.14Å; V117-K122 HydrophobicContact CG1-CG 4.46Å; V117-R155 PolarHBondContact O-NH1 3.28Å
118	D	95.4	Very high	93.9	Very high	51 Å²	51	59.7 Å²	59.7	27%	0.273	31%	0.31	S	S	.	.			trans	-79.5	90.1	167	-177.6	-10.2	0	0	0	109.4	K120 R121 K122 K177	D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 WeakPolarHBondContact OD1-CB 3.3Å; D118-K120 PolarHBondContact OD1-N 3.27Å; D118-R121 HydrophobicContact CB-CB 4.28Å; D118-R121 VanDerWaalsContact CG-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.08Å; D118-R121 PolarHBondContact OD1-N 2.96Å; D118-R121 VanDerWaalsContact OD2-CB 3.3Å; D118-R121 WeakPolarHBondContact OD2-CB 3.45Å; D118-K122 WeakPolarHBondContact O-CB 3.25Å; D118-K122 VanDerWaalsContact O-CG 3.28Å; D118-K122 WeakPolarHBondContact O-CG 2.97Å; D118-K122 PolarHBondContact O-N 3.39Å; D118-K177 HydrophobicContact CB-CB 4.46Å; D118-K177 HydrophobicContact CB-CG 4.24Å
119	L	95.9	Very high	93.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-37.5	178.9	-71.9	-178	0	0	0	110.8	I101 F110 V117 R121 K122 G123 S124 Y126 Y127 K177 D179	I101-L119 HydrophobicContact CD1-CD2 4.1Å; F110-L119 HydrophobicContact CE1-CD2 4.04Å; F110-L119 HydrophobicContact CZ-CD2 3.87Å; V117-L119 HydrophobicContact CG1-CD2 4.03Å; V117-L119 PolarHBondContact O-N 3.14Å; L119-R121 VanDerWaalsContact C-N 3.26Å; L119-R121 PolarHBondContact O-N 3.4Å; L119-K122 PolarHBondContact O-N 3.19Å; L119-G123 CarbonylContact O-C 3.51Å; L119-G123 WeakPolarHBondContact O-CA 3.45Å; L119-G123 PolarHBondContact O-N 3.1Å; L119-S124 PolarHBondContact O-N 3.03Å; L119-Y126 HydrophobicContact CD1-CD1 4.16Å; L119-Y126 HydrophobicContact CD1-CG 4.43Å; L119-Y126 HydrophobicContact CD2-CD1 4.28Å; L119-Y126 HydrophobicContact CD2-CD2 4.15Å; L119-Y126 HydrophobicContact CD2-CG 3.93Å; L119-Y127 HydrophobicContact CD1-CE2 4.04Å; L119-K177 PolarHBondContact N-O 3.35Å; L119-K177 VanDerWaalsContact N-O 3.07Å; L119-D179 HydrophobicContact CB-CB 4.05Å; L119-D179 HydrophobicContact CD1-CB 4.14Å
120	K	94.1	Very high	93.9	Very high	124 Å²	124	51.7 Å²	51.7	54%	0.539	27%	0.27	S	S	.	.	H	α-helix	trans	-53.4	-44.9	177.5	-166.3	175.8	-177.4	174.1	0	112.3	D118 S176 K177 F178	D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 WeakPolarHBondContact OD1-CB 3.3Å; D118-K120 PolarHBondContact OD1-N 3.27Å; K120-S176 WeakPolarHBondContact CB-O 3.4Å; K120-S176 VanDerWaalsContact CD-O 3.25Å; K120-S176 WeakPolarHBondContact CD-O 3.37Å; K120-K177 PolarHBondContact N-O 2.88Å; K120-F178 WeakPolarHBondContact CB-O 3.4Å
121	R	93.8	Very high	93.6	Very high	202 Å²	202	54.2 Å²	54.2	76%	0.762	29%	0.288	S	S	*	.	H	α-helix	trans	-79.5	-35.2	179.6	-175.5	177.6	176.3	-169.5	0.8	113.4	D118 L119	D118-R121 HydrophobicContact CB-CB 4.28Å; D118-R121 VanDerWaalsContact CG-CB 3.46Å; D118-R121 PolarHBondContact O-N 3.08Å; D118-R121 PolarHBondContact OD1-N 2.96Å; D118-R121 VanDerWaalsContact OD2-CB 3.3Å; D118-R121 WeakPolarHBondContact OD2-CB 3.45Å; L119-R121 VanDerWaalsContact C-N 3.26Å; L119-R121 PolarHBondContact O-N 3.4Å
122	K	92.6	Very high	93.5	Very high	109 Å²	109	49.2 Å²	49.2	47%	0.474	27%	0.266	S	S	.	.	H	α-helix	trans	-85	-25.8	-175	-66.2	-60.7	-172.1	179.4	0	113.6	I101 F106 V117 D118 L119	I101-K122 HydrophobicContact CD1-CB 3.69Å; F106-K122 HydrophobicContact CE1-CD 4.2Å; F106-K122 HydrophobicContact CE1-CG 4.19Å; F106-K122 HydrophobicContact CZ-CD 3.93Å; F106-K122 HydrophobicContact CZ-CG 4.38Å; V117-K122 HydrophobicContact CG1-CG 4.46Å; D118-K122 WeakPolarHBondContact O-CB 3.25Å; D118-K122 VanDerWaalsContact O-CG 3.28Å; D118-K122 WeakPolarHBondContact O-CG 2.97Å; D118-K122 PolarHBondContact O-N 3.39Å; L119-K122 PolarHBondContact O-N 3.19Å
123	G	88.7	Confident	93.3	Very high	16 Å²	16	45 Å²	45	17%	0.165	23%	0.231	C	C	.	.			trans	176.5	94.9	177.6	0	0	0	0	0	108.9	L119 M125 Y126	L119-G123 CarbonylContact O-C 3.51Å; L119-G123 WeakPolarHBondContact O-CA 3.45Å; L119-G123 PolarHBondContact O-N 3.1Å; G123-M125 PolarHBondContact O-N 3.4Å; G123-Y126 PolarHBondContact O-N 3.44Å; G123-Y126 VanDerWaalsContact O-N 3.11Å
124	S	90.8	Very high	93.1	Very high	56 Å²	56	46.4 Å²	46.4	39%	0.392	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-3.5	-173.9	62.3	0	0	0	0	115.1	L119 S180	L119-S124 PolarHBondContact O-N 3.03Å; S124-S180 VanDerWaalsContact O-CB 3.3Å; S124-S180 WeakPolarHBondContact O-CB 3.34Å; S124-S180 PolarHBondContact O-N 3.2Å; S124-S180 PolarHBondContact O-OG 2.9Å
125	M	92.6	Very high	92.7	Very high	26 Å²	26	52.5 Å²	52.5	13%	0.128	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.8	37.7	176.1	-62.3	-62.2	-177.9	0	0	111.2	D23 A27 G123 Y127 M128 L129 D179 S180	D23-M125 HydrophobicContact CB-CE 4.24Å; D23-M125 HydrophobicContact CB-SD 4.43Å; D23-M125 WeakPolarHBondContact OD1-CE 3.45Å; A27-M125 HydrophobicContact CB-CB 3.63Å; A27-M125 HydrophobicContact CB-CG 4.13Å; G123-M125 PolarHBondContact O-N 3.4Å; M125-Y127 VanDerWaalsContact C-N 3.32Å; M125-Y127 PolarHBondContact O-N 3.01Å; M125-M128 HydrophobicContact CB-CB 4.42Å; M125-M128 PolarHBondContact O-N 2.88Å; M125-L129 VanDerWaalsContact O-CB 3.28Å; M125-L129 WeakPolarHBondContact O-CB 3.45Å; M125-L129 PolarHBondContact O-N 2.85Å; M125-D179 VanDerWaalsContact CA-OD1 3.24Å; M125-D179 WeakPolarHBondContact CA-OD1 3.25Å; M125-D179 PolarHBondContact N-OD1 3.48Å; M125-S180 VanDerWaalsContact CE-OG 3.3Å; M125-S180 WeakPolarHBondContact CE-OG 3.47Å; M125-S180 WeakPolarHBondContact SD-CB 3.08Å; M125-S180 PolarHBondContact SD-OG 3.23Å; M125-S180 VanDerWaalsContact SD-OG 3.35Å
126	Y	94.9	Very high	92.4	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-52.2	-44	-173.6	172.7	-100.7	0	0	0	113.4	I101 Y102 F110 L119 G123 L130 V151 D179	I101-Y126 HydrophobicContact CD1-CD2 3.61Å; I101-Y126 HydrophobicContact CD1-CE2 4.23Å; I101-Y126 HydrophobicContact CD1-CG 4.47Å; I101-Y126 HydrophobicContact CG1-CD2 3.89Å; I101-Y126 HydrophobicContact CG1-CE2 4.04Å; I101-Y126 HydrophobicContact CG2-CD2 4.17Å; I101-Y126 HydrophobicContact CG2-CE2 4.48Å; Y102-Y126 HydrophobicContact CD1-CD2 4.42Å; Y102-Y126 AromaticContact CD1-CE2 3.71Å; Y102-Y126 HydrophobicContact CD1-CE2 3.71Å; Y102-Y126 AromaticContact CE1-CD2 3.62Å; Y102-Y126 HydrophobicContact CE1-CD2 3.62Å; Y102-Y126 AromaticContact CE1-CE2 3.23Å; Y102-Y126 HydrophobicContact CE1-CE2 3.23Å; Y102-Y126 AromaticContact CE1-CZ 3.87Å; Y102-Y126 PolarHBondContact OH-O 3.33Å; F110-Y126 AromaticContact CE2-CE2 3.98Å; F110-Y126 HydrophobicContact CE2-CE2 3.98Å; F110-Y126 AromaticContact CZ-CE2 3.96Å; F110-Y126 HydrophobicContact CZ-CE2 3.96Å; L119-Y126 HydrophobicContact CD1-CD1 4.16Å; L119-Y126 HydrophobicContact CD1-CG 4.43Å; L119-Y126 HydrophobicContact CD2-CD1 4.28Å; L119-Y126 HydrophobicContact CD2-CD2 4.15Å; L119-Y126 HydrophobicContact CD2-CG 3.93Å; G123-Y126 PolarHBondContact O-N 3.44Å; G123-Y126 VanDerWaalsContact O-N 3.11Å; Y126-L130 WeakPolarHBondContact O-CB 3.23Å; Y126-L130 PolarHBondContact O-N 3.06Å; Y126-V151 HydrophobicContact CE1-CG1 4.17Å; Y126-D179 PolarHBondContact N-OD1 3.2Å
127	Y	93.9	Very high	92.1	Very high	16 Å²	16	51 Å²	51	6%	0.063	27%	0.272	C	S	.	.	H	α-helix	trans	-77.4	-39	-178.5	-58.9	-73.8	0	0	0	112.1	L119 M125 L130 C131 F152 D179 L181 E182	L119-Y127 HydrophobicContact CD1-CE2 4.04Å; M125-Y127 VanDerWaalsContact C-N 3.32Å; M125-Y127 PolarHBondContact O-N 3.01Å; Y127-L130 WeakPolarHBondContact O-CB 3.12Å; Y127-L130 PolarHBondContact O-N 3.27Å; Y127-C131 PolarHBondContact O-N 2.84Å; Y127-C131 VanDerWaalsContact O-N 3.07Å; Y127-C131 PolarHBondContact O-SG 3.49Å; Y127-C131 VanDerWaalsContact O-SG 3.39Å; Y127-F152 HydrophobicContact CD1-CB 4.39Å; Y127-F152 HydrophobicContact CD1-CD2 4.36Å; Y127-F152 HydrophobicContact CE1-CB 3.65Å; Y127-F152 AromaticContact CE1-CD2 3.89Å; Y127-F152 HydrophobicContact CE1-CD2 3.89Å; Y127-F152 HydrophobicContact CE1-CG 4.22Å; Y127-F152 HydrophobicContact CE2-CD2 4.38Å; Y127-F152 AromaticContact CZ-CD2 3.87Å; Y127-D179 HydrophobicContact CD2-CB 4.13Å; Y127-D179 WeakPolarHBondContact CD2-OD2 3.31Å; Y127-D179 HydrophobicContact CE2-CB 3.99Å; Y127-L181 HydrophobicContact CD2-CB 4.1Å; Y127-L181 HydrophobicContact CD2-CD1 4.13Å; Y127-L181 HydrophobicContact CG-CD1 4.07Å; Y127-E182 HydrophobicContact CD2-CG 4.48Å; Y127-E182 HydrophobicContact CE2-CG 3.64Å; Y127-E182 WeakPolarHBondContact CE2-OE1 3.37Å; Y127-E182 PolarHBondContact OH-OE1 3.19Å
128	M	91.9	Very high	91.9	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-40.4	179.5	-167.4	65.1	75.2	0	0	111.5	A16 A27 M125 L130 C131 N132	A16-M128 HydrophobicContact CB-CE 4.13Å; A16-M128 HydrophobicContact CB-SD 3.95Å; A27-M128 HydrophobicContact CB-CB 3.7Å; A27-M128 HydrophobicContact CB-CG 3.59Å; M125-M128 HydrophobicContact CB-CB 4.42Å; M125-M128 PolarHBondContact O-N 2.88Å; M128-L130 VanDerWaalsContact C-N 3.28Å; M128-L130 PolarHBondContact O-N 3.1Å; M128-C131 WeakPolarHBondContact O-CB 3.22Å; M128-C131 PolarHBondContact O-N 3.48Å; M128-N132 PolarHBondContact O-N 3.25Å; M128-N132 PolarHBondContact O-ND2 2.77Å
129	L	93.8	Very high	91.7	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.037	30%	0.303	C	S	.	.	H	α-helix	trans	-62.8	-36.6	173.7	175.3	61.1	0	0	0	111.5	A27 E30 V80 P99 Y102 M125 C131 N132 L133	A27-L129 HydrophobicContact CB-CB 4.45Å; A27-L129 WeakPolarHBondContact O-CD1 3.49Å; E30-L129 HydrophobicContact CB-CD1 4.19Å; E30-L129 HydrophobicContact CB-CD2 4.03Å; E30-L129 HydrophobicContact CG-CD2 3.82Å; V80-L129 HydrophobicContact CB-CD1 4.19Å; V80-L129 HydrophobicContact CG1-CD1 4.06Å; V80-L129 HydrophobicContact CG2-CD1 4.05Å; P99-L129 HydrophobicContact CB-CD2 4.26Å; P99-L129 HydrophobicContact CG-CD2 4.13Å; Y102-L129 HydrophobicContact CE2-CD2 3.68Å; Y102-L129 HydrophobicContact CE2-CG 3.84Å; Y102-L129 WeakPolarHBondContact OH-CB 3.44Å; Y102-L129 WeakPolarHBondContact OH-CG 3.18Å; M125-L129 VanDerWaalsContact O-CB 3.28Å; M125-L129 WeakPolarHBondContact O-CB 3.45Å; M125-L129 PolarHBondContact O-N 2.85Å; L129-C131 VanDerWaalsContact C-N 3.35Å; L129-N132 WeakPolarHBondContact O-CB 3.41Å; L129-N132 PolarHBondContact O-N 3.44Å; L129-L133 WeakPolarHBondContact O-CG 3.17Å; L129-L133 PolarHBondContact O-N 3.03Å
130	L	94.4	Very high	91.5	Very high	15 Å²	15	59.3 Å²	59.3	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-63.3	-41.3	174.5	179.1	57.8	0	0	0	111.6	Y102 Y126 Y127 M128 N132 L133 L134 I144 V145	Y102-L130 HydrophobicContact CE1-CB 4.1Å; Y102-L130 HydrophobicContact CE1-CD1 4.25Å; Y102-L130 PolarHBondContact OH-N 3.11Å; Y102-L130 VanDerWaalsContact OH-N 3.09Å; Y126-L130 WeakPolarHBondContact O-CB 3.23Å; Y126-L130 PolarHBondContact O-N 3.06Å; Y127-L130 WeakPolarHBondContact O-CB 3.12Å; Y127-L130 PolarHBondContact O-N 3.27Å; M128-L130 VanDerWaalsContact C-N 3.28Å; M128-L130 PolarHBondContact O-N 3.1Å; L130-N132 VanDerWaalsContact C-N 3.33Å; L130-N132 PolarHBondContact O-N 3.2Å; L130-L133 PolarHBondContact O-N 2.8Å; L130-L134 PolarHBondContact O-N 3.13Å; L130-I144 HydrophobicContact CD1-CB 4.38Å; L130-I144 HydrophobicContact CD1-CG2 3.55Å; L130-V145 HydrophobicContact CD1-CG2 3.93Å; L130-V145 HydrophobicContact CG-CG2 4.41Å
131	C	91.8	Very high	91.5	Very high	65 Å²	65	53.8 Å²	53.8	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-59.5	-43.3	173.2	-67.1	0	0	0	0	111.7	Y127 M128 L129 L133 L134	Y127-C131 PolarHBondContact O-N 2.84Å; Y127-C131 VanDerWaalsContact O-N 3.07Å; Y127-C131 PolarHBondContact O-SG 3.49Å; Y127-C131 VanDerWaalsContact O-SG 3.39Å; M128-C131 WeakPolarHBondContact O-CB 3.22Å; M128-C131 PolarHBondContact O-N 3.48Å; L129-C131 VanDerWaalsContact C-N 3.35Å; C131-L133 VanDerWaalsContact C-N 3.32Å; C131-L133 PolarHBondContact O-N 3.28Å; C131-L134 VanDerWaalsContact O-CB 3.23Å; C131-L134 WeakPolarHBondContact O-CB 3.33Å; C131-L134 WeakPolarHBondContact O-CG 3.43Å; C131-L134 PolarHBondContact O-N 3.07Å; C131-L134 VanDerWaalsContact O-N 3.16Å
132	N	90.8	Very high	91.6	Very high	30 Å²	30	48.7 Å²	48.7	16%	0.16	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-40.3	175.7	-79.3	-48.6	0	0	0	112.6	D24 I84 M128 L129 L130 L134 M135	D24-N132 PolarHBondContact OD1-ND2 3.02Å; D24-N132 PolarHBondContact OD1-OD1 3.34Å; D24-N132 VanDerWaalsContact OD1-OD1 3.14Å; I84-N132 VanDerWaalsContact CD1-O 3.22Å; I84-N132 WeakPolarHBondContact CD1-O 3.3Å; M128-N132 PolarHBondContact O-N 3.25Å; M128-N132 PolarHBondContact O-ND2 2.77Å; L129-N132 WeakPolarHBondContact O-CB 3.41Å; L129-N132 PolarHBondContact O-N 3.44Å; L130-N132 VanDerWaalsContact C-N 3.33Å; L130-N132 PolarHBondContact O-N 3.2Å; N132-L134 PolarHBondContact O-N 2.74Å; N132-M135 PolarHBondContact O-N 3.24Å
133	L	92.1	Very high	91.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-18.5	178	-70.7	171.4	0	0	0	113.9	V80 P99 Y102 L129 L130 C131 M135 S136 V141	V80-L133 HydrophobicContact CG1-CD2 3.94Å; P99-L133 HydrophobicContact CG-CD1 4.17Å; P99-L133 HydrophobicContact CG-CD2 4.48Å; Y102-L133 HydrophobicContact CD2-CD1 3.59Å; Y102-L133 HydrophobicContact CE2-CD1 3.43Å; Y102-L133 VanDerWaalsContact CE2-CD1 3.43Å; Y102-L133 HydrophobicContact CG-CD1 4.4Å; L129-L133 WeakPolarHBondContact O-CG 3.17Å; L129-L133 PolarHBondContact O-N 3.03Å; L130-L133 PolarHBondContact O-N 2.8Å; C131-L133 VanDerWaalsContact C-N 3.32Å; C131-L133 PolarHBondContact O-N 3.28Å; L133-M135 PolarHBondContact O-N 3.26Å; L133-S136 VanDerWaalsContact O-CB 3.27Å; L133-S136 WeakPolarHBondContact O-CB 3.25Å; L133-S136 PolarHBondContact O-N 3.48Å; L133-S136 PolarHBondContact O-OG 3.11Å; L133-V141 HydrophobicContact CB-CG2 4.41Å
134	L	91.3	Very high	92.1	Very high	93 Å²	93	49.1 Å²	49.1	49%	0.487	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-56.1	-32	173.6	-64.9	173.5	0	0	0	111.9	L130 C131 N132 S136 V141 V145	L130-L134 PolarHBondContact O-N 3.13Å; C131-L134 VanDerWaalsContact O-CB 3.23Å; C131-L134 WeakPolarHBondContact O-CB 3.33Å; C131-L134 WeakPolarHBondContact O-CG 3.43Å; C131-L134 PolarHBondContact O-N 3.07Å; C131-L134 VanDerWaalsContact O-N 3.16Å; N132-L134 PolarHBondContact O-N 2.74Å; L134-S136 VanDerWaalsContact C-N 3.3Å; L134-S136 PolarHBondContact O-N 2.79Å; L134-V141 HydrophobicContact CD2-CG1 4.13Å; L134-V145 HydrophobicContact CD2-CG2 3.36Å
135	M	85.9	Confident	92.3	Very high	142 Å²	142	48.4 Å²	48.4	70%	0.7	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-81.9	-5.4	-179.5	-56.2	-53.2	-65.9	0	0	113.7	I84 S88 N132 L133 G137	I84-M135 HydrophobicContact CG2-CB 4.07Å; S88-M135 PolarHBondContact OG-O 3.47Å; S88-M135 VanDerWaalsContact OG-O 3.11Å; N132-M135 PolarHBondContact O-N 3.24Å; L133-M135 PolarHBondContact O-N 3.26Å; M135-G137 VanDerWaalsContact C-N 3.35Å; M135-G137 PolarHBondContact O-N 3.3Å
136	S	88.6	Confident	92.5	Very high	10 Å²	10	49.6 Å²	49.6	7%	0.07	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-75.9	-19.4	-176.8	70	0	0	0	0	114.2	S88 L133 L134 H138 V141	S88-S136 WeakPolarHBondContact OG-CA 3.28Å; S88-S136 PolarHBondContact OG-O 2.83Å; L133-S136 VanDerWaalsContact O-CB 3.27Å; L133-S136 WeakPolarHBondContact O-CB 3.25Å; L133-S136 PolarHBondContact O-N 3.48Å; L133-S136 PolarHBondContact O-OG 3.11Å; L134-S136 VanDerWaalsContact C-N 3.3Å; L134-S136 PolarHBondContact O-N 2.79Å; S136-H138 PolarHBondContact O-N 3.09Å; S136-H138 WeakPolarHBondContact OG-CB 3.38Å; S136-H138 PolarHBondContact OG-N 3.39Å; S136-V141 WeakPolarHBondContact OG-CG2 3.41Å
137	G	86	Confident	92.6	Very high	76 Å²	76	50.3 Å²	50.3	78%	0.784	30%	0.296	S	S	*	.			trans	61.1	12.1	-172.1	0	0	0	0	0	114.2	M135	M135-G137 VanDerWaalsContact C-N 3.35Å; M135-G137 PolarHBondContact O-N 3.3Å
138	H	90.3	Very high	92.7	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.181	29%	0.294	C	S	.	.			trans	-71.8	133.6	-175.2	179.7	-69.4	0	0	0	111.4	I96 S136 R140 V141	I96-H138 PolarHBondContact O-CD2 3Å; S136-H138 PolarHBondContact O-N 3.09Å; S136-H138 WeakPolarHBondContact OG-CB 3.38Å; S136-H138 PolarHBondContact OG-N 3.39Å; H138-R140 VanDerWaalsContact C-N 3.26Å; H138-R140 PolarHBondContact CE1-NE 2.82Å; H138-R140 PolarHBondContact ND1-N 3.36Å; H138-R140 VanDerWaalsContact ND1-N 3.13Å; H138-R140 PolarHBondContact O-N 2.92Å; H138-V141 HydrophobicContact CB-CG2 3.8Å; H138-V141 VanDerWaalsContact O-CB 3.32Å; H138-V141 WeakPolarHBondContact O-CB 3.5Å; H138-V141 WeakPolarHBondContact O-CG2 3.4Å; H138-V141 PolarHBondContact O-N 3.07Å
139	V	91.1	Very high	92.9	Very high	131 Å²	131	52.1 Å²	52.1	79%	0.794	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.2	-171.1	67.1	0	0	0	0	115.1	P142	V139-P142 WeakPolarHBondContact O-CD 3.43Å
140	R	92.7	Very high	93	Very high	67 Å²	67	58.8 Å²	58.8	25%	0.253	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.3	177.9	-69	-171.7	-66.4	-174.2	-11.2	114.8	D97 H138 P142 Q143 I144	D97-R140 IonicContact OD1-NH2 2.74Å; D97-R140 PolarHBondContact OD1-NH2 3.2Å; H138-R140 VanDerWaalsContact C-N 3.26Å; H138-R140 PolarHBondContact CE1-NE 2.82Å; H138-R140 PolarHBondContact ND1-N 3.36Å; H138-R140 VanDerWaalsContact ND1-N 3.13Å; H138-R140 PolarHBondContact O-N 2.92Å; R140-P142 VanDerWaalsContact C-CD 3.5Å; R140-Q143 PolarHBondContact O-N 2.86Å; R140-Q143 VanDerWaalsContact O-N 3.1Å; R140-I144 HydrophobicContact CB-CD1 4.01Å; R140-I144 HydrophobicContact CB-CG1 4.5Å; R140-I144 WeakPolarHBondContact O-CG1 3.23Å; R140-I144 PolarHBondContact O-N 2.9Å
141	V	94	Very high	93.1	Very high	9 Å²	9	58.1 Å²	58.1	6%	0.055	34%	0.335	C	S	.	.	H	α-helix	trans	-57.3	-41.9	-172.9	170.2	0	0	0	0	113	L133 L134 S136 H138 Q143 I144 V145	L133-V141 HydrophobicContact CB-CG2 4.41Å; L134-V141 HydrophobicContact CD2-CG1 4.13Å; S136-V141 WeakPolarHBondContact OG-CG2 3.41Å; H138-V141 HydrophobicContact CB-CG2 3.8Å; H138-V141 VanDerWaalsContact O-CB 3.32Å; H138-V141 WeakPolarHBondContact O-CB 3.5Å; H138-V141 WeakPolarHBondContact O-CG2 3.4Å; H138-V141 PolarHBondContact O-N 3.07Å; V141-Q143 VanDerWaalsContact C-N 3.29Å; V141-Q143 PolarHBondContact O-N 3.4Å; V141-I144 PolarHBondContact O-N 3.23Å; V141-I144 VanDerWaalsContact O-N 3.11Å; V141-V145 HydrophobicContact CG1-CG2 3.97Å; V141-V145 VanDerWaalsContact O-CG2 3.22Å; V141-V145 WeakPolarHBondContact O-CG2 3.48Å; V141-V145 PolarHBondContact O-N 3.24Å
142	P	95.1	Very high	93.3	Very high	95 Å²	95	58 Å²	58	62%	0.617	33%	0.327	S	S	*	.	H	α-helix	trans	-56.4	-40.7	176.2	-26.9	36	0	0	0	113.8	V139 R140 V145 A146	V139-P142 WeakPolarHBondContact O-CD 3.43Å; R140-P142 VanDerWaalsContact C-CD 3.5Å; P142-V145 PolarHBondContact O-N 3.33Å; P142-A146 PolarHBondContact O-N 3.29Å; P142-A146 VanDerWaalsContact O-N 3.09Å
143	Q	95.4	Very high	93.6	Very high	122 Å²	122	62.2 Å²	62.2	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-70.2	-39.1	176.9	-176.4	176.4	1.3	0	0	111.8	R140 V141 V145 A146 T147	R140-Q143 PolarHBondContact O-N 2.86Å; R140-Q143 VanDerWaalsContact O-N 3.1Å; V141-Q143 VanDerWaalsContact C-N 3.29Å; V141-Q143 PolarHBondContact O-N 3.4Å; Q143-V145 VanDerWaalsContact C-N 3.32Å; Q143-V145 PolarHBondContact O-N 2.7Å; Q143-A146 PolarHBondContact O-N 2.83Å; Q143-T147 PolarHBondContact O-N 2.91Å; Q143-T147 PolarHBondContact O-OG1 2.96Å
144	I	96.2	Very high	93.8	Very high	11 Å²	11	64.3 Å²	64.3	6%	0.056	36%	0.361	C	S	.	.	H	α-helix	trans	-63.7	-40.9	176.3	-62.7	164.4	0	0	0	110.1	V98 Y102 L130 R140 V141 T147 G148	V98-I144 HydrophobicContact CB-CD1 4.17Å; V98-I144 HydrophobicContact CG1-CD1 3.73Å; V98-I144 HydrophobicContact CG2-CD1 4.43Å; Y102-I144 HydrophobicContact CD1-CG2 3.34Å; Y102-I144 HydrophobicContact CE1-CG2 4.12Å; Y102-I144 HydrophobicContact CG-CG2 3.77Å; L130-I144 HydrophobicContact CD1-CB 4.38Å; L130-I144 HydrophobicContact CD1-CG2 3.55Å; R140-I144 HydrophobicContact CB-CD1 4.01Å; R140-I144 HydrophobicContact CB-CG1 4.5Å; R140-I144 WeakPolarHBondContact O-CG1 3.23Å; R140-I144 PolarHBondContact O-N 2.9Å; V141-I144 PolarHBondContact O-N 3.23Å; V141-I144 VanDerWaalsContact O-N 3.11Å; I144-T147 PolarHBondContact O-N 3.22Å; I144-G148 PolarHBondContact O-N 3.44Å
145	V	95.9	Very high	94	Very high	42 Å²	42	59.9 Å²	59.9	26%	0.255	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-43.7	176.7	172.8	0	0	0	0	111.3	L130 L134 V141 P142 Q143 T147 G148 T149	L130-V145 HydrophobicContact CD1-CG2 3.93Å; L130-V145 HydrophobicContact CG-CG2 4.41Å; L134-V145 HydrophobicContact CD2-CG2 3.36Å; V141-V145 HydrophobicContact CG1-CG2 3.97Å; V141-V145 VanDerWaalsContact O-CG2 3.22Å; V141-V145 WeakPolarHBondContact O-CG2 3.48Å; V141-V145 PolarHBondContact O-N 3.24Å; P142-V145 PolarHBondContact O-N 3.33Å; Q143-V145 VanDerWaalsContact C-N 3.32Å; Q143-V145 PolarHBondContact O-N 2.7Å; V145-T147 VanDerWaalsContact C-N 3.3Å; V145-T147 PolarHBondContact O-N 2.79Å; V145-G148 PolarHBondContact O-N 3.44Å; V145-T149 WeakPolarHBondContact O-CB 3.49Å; V145-T149 PolarHBondContact O-N 3.26Å; V145-T149 PolarHBondContact O-OG1 3.21Å
146	A	96.3	Very high	94.5	Very high	51 Å²	51	56.1 Å²	56.1	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-41.9	175.3	0	0	0	0	0	111.6	P142 Q143 K150	P142-A146 PolarHBondContact O-N 3.29Å; P142-A146 VanDerWaalsContact O-N 3.09Å; Q143-A146 PolarHBondContact O-N 2.83Å; A146-K150 WeakPolarHBondContact O-CG 3.24Å; A146-K150 PolarHBondContact O-N 3.3Å
147	T	96.4	Very high	94.7	Very high	17 Å²	17	63.3 Å²	63.3	10%	0.104	35%	0.35	C	S	.	.	H	α-helix	trans	-65.6	-50.5	175.7	-52.2	0	0	0	0	111	T107 F110 Q143 I144 V145 T149 K150 V151	T107-T147 HydrophobicContact CG2-CG2 4.18Å; F110-T147 HydrophobicContact CB-CG2 4.08Å; Q143-T147 PolarHBondContact O-N 2.91Å; Q143-T147 PolarHBondContact O-OG1 2.96Å; I144-T147 PolarHBondContact O-N 3.22Å; V145-T147 VanDerWaalsContact C-N 3.3Å; V145-T147 PolarHBondContact O-N 2.79Å; T147-T149 VanDerWaalsContact C-N 3.25Å; T147-T149 PolarHBondContact O-N 3.37Å; T147-K150 WeakPolarHBondContact O-CB 3.47Å; T147-K150 PolarHBondContact O-N 3.48Å; T147-K150 VanDerWaalsContact O-N 3.07Å; T147-V151 HydrophobicContact CG2-CG2 4.32Å; T147-V151 VanDerWaalsContact O-CG2 3.27Å; T147-V151 WeakPolarHBondContact O-CG2 3.33Å; T147-V151 PolarHBondContact O-N 3.36Å
148	G	96.3	Very high	95.1	Very high	2 Å²	2	61.6 Å²	61.6	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-58.2	-36.4	178.7	0	0	0	0	0	113.1	I144 V145 V151 F152	I144-G148 PolarHBondContact O-N 3.44Å; V145-G148 PolarHBondContact O-N 3.44Å; G148-V151 PolarHBondContact O-N 3.07Å; G148-F152 WeakPolarHBondContact O-CB 3.37Å; G148-F152 PolarHBondContact O-N 2.99Å
149	T	96	Very high	95.3	Very high	68 Å²	68	59.9 Å²	59.9	42%	0.417	31%	0.314	S	S	.	.	H	α-helix	trans	-65	-45.4	174.5	-56.6	0	0	0	0	111.6	V145 T147 F152 Q153	V145-T149 WeakPolarHBondContact O-CB 3.49Å; V145-T149 PolarHBondContact O-N 3.26Å; V145-T149 PolarHBondContact O-OG1 3.21Å; T147-T149 VanDerWaalsContact C-N 3.25Å; T147-T149 PolarHBondContact O-N 3.37Å; T149-F152 PolarHBondContact O-N 3.35Å; T149-Q153 VanDerWaalsContact O-CG 3.31Å; T149-Q153 WeakPolarHBondContact O-CG 3.47Å; T149-Q153 PolarHBondContact O-N 3.09Å
150	K	96.1	Very high	95.5	Very high	147 Å²	147	58.8 Å²	58.8	64%	0.639	30%	0.302	S	S	*	.	H	α-helix	trans	-63.7	-42	175.9	-70.2	176.5	-177.9	179.5	0	111.9	A146 T147 Q153 S154	A146-K150 WeakPolarHBondContact O-CG 3.24Å; A146-K150 PolarHBondContact O-N 3.3Å; T147-K150 WeakPolarHBondContact O-CB 3.47Å; T147-K150 PolarHBondContact O-N 3.48Å; T147-K150 VanDerWaalsContact O-N 3.07Å; K150-Q153 PolarHBondContact O-N 2.88Å; K150-S154 PolarHBondContact O-N 2.78Å
151	V	96.8	Very high	95.5	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-56.6	-50.9	174.9	170.9	0	0	0	0	109.8	F110 P114 Y126 T147 G148 Q153 S154 R155	F110-V151 HydrophobicContact CB-CG2 3.67Å; F110-V151 HydrophobicContact CD1-CB 4.48Å; F110-V151 HydrophobicContact CD1-CG1 4.08Å; F110-V151 HydrophobicContact CD1-CG2 3.49Å; F110-V151 VanDerWaalsContact CD1-CG2 3.49Å; F110-V151 HydrophobicContact CD2-CG2 4.25Å; F110-V151 HydrophobicContact CE1-CG1 4.05Å; F110-V151 HydrophobicContact CE1-CG2 4.16Å; F110-V151 HydrophobicContact CG-CG2 3.56Å; P114-V151 HydrophobicContact CB-CB 4.2Å; P114-V151 HydrophobicContact CB-CG1 3.99Å; P114-V151 HydrophobicContact CB-CG2 4.01Å; Y126-V151 HydrophobicContact CE1-CG1 4.17Å; T147-V151 HydrophobicContact CG2-CG2 4.32Å; T147-V151 VanDerWaalsContact O-CG2 3.27Å; T147-V151 WeakPolarHBondContact O-CG2 3.33Å; T147-V151 PolarHBondContact O-N 3.36Å; G148-V151 PolarHBondContact O-N 3.07Å; V151-Q153 PolarHBondContact O-N 3.27Å; V151-S154 PolarHBondContact O-N 3.22Å; V151-R155 HydrophobicContact CG1-CG 4.47Å; V151-R155 WeakPolarHBondContact O-CB 3.11Å; V151-R155 VanDerWaalsContact O-CG 3.31Å; V151-R155 WeakPolarHBondContact O-CG 3.31Å; V151-R155 PolarHBondContact O-N 3.42Å
152	F	96.8	Very high	95.4	Very high	62 Å²	62	59.8 Å²	59.8	27%	0.272	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-48.7	177.7	-176.6	-109.9	0	0	0	112	Y127 G148 T149 S154 R155 L156 L181 L185	Y127-F152 HydrophobicContact CD1-CB 4.39Å; Y127-F152 HydrophobicContact CD1-CD2 4.36Å; Y127-F152 HydrophobicContact CE1-CB 3.65Å; Y127-F152 AromaticContact CE1-CD2 3.89Å; Y127-F152 HydrophobicContact CE1-CD2 3.89Å; Y127-F152 HydrophobicContact CE1-CG 4.22Å; Y127-F152 HydrophobicContact CE2-CD2 4.38Å; Y127-F152 AromaticContact CZ-CD2 3.87Å; G148-F152 WeakPolarHBondContact O-CB 3.37Å; G148-F152 PolarHBondContact O-N 2.99Å; T149-F152 PolarHBondContact O-N 3.35Å; F152-S154 VanDerWaalsContact C-N 3.34Å; F152-S154 PolarHBondContact O-N 2.88Å; F152-R155 PolarHBondContact O-N 3.33Å; F152-L156 HydrophobicContact CE1-CD2 4.32Å; F152-L156 HydrophobicContact CZ-CD1 4.31Å; F152-L156 WeakPolarHBondContact O-CB 3.48Å; F152-L156 PolarHBondContact O-N 2.62Å; F152-L181 HydrophobicContact CE2-CD2 3.68Å; F152-L181 HydrophobicContact CZ-CD2 4.41Å; F152-L185 HydrophobicContact CE2-CD1 3.75Å; F152-L185 HydrophobicContact CZ-CD1 3.79Å
153	Q	96.3	Very high	95.4	Very high	118 Å²	118	55.5 Å²	55.5	55%	0.551	29%	0.285	S	S	*	.	H	α-helix	trans	-59.7	-41.8	-179.7	-74.5	175	-0.4	0	0	113	T149 K150 V151	T149-Q153 VanDerWaalsContact O-CG 3.31Å; T149-Q153 WeakPolarHBondContact O-CG 3.47Å; T149-Q153 PolarHBondContact O-N 3.09Å; K150-Q153 PolarHBondContact O-N 2.88Å; V151-Q153 PolarHBondContact O-N 3.27Å
154	S	95.4	Very high	95.2	Very high	46 Å²	46	53.8 Å²	53.8	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-67.9	-49.4	177.8	-172	0	0	0	0	111.2	P114 K150 V151 F152 L156 K157	P114-S154 VanDerWaalsContact CG-CB 3.41Å; P114-S154 WeakPolarHBondContact CG-OG 3.28Å; K150-S154 PolarHBondContact O-N 2.78Å; V151-S154 PolarHBondContact O-N 3.22Å; F152-S154 VanDerWaalsContact C-N 3.34Å; F152-S154 PolarHBondContact O-N 2.88Å; S154-L156 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 3.25Å; S154-K157 PolarHBondContact O-N 3.31Å
155	R	96.7	Very high	94.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-69.5	-27.6	-177.7	-66.5	177.4	65.2	97.6	-3	112.9	P114 V117 V151 F152 K157 M158 I159 K177 E182	P114-R155 HydrophobicContact CB-CG 4.23Å; P114-R155 WeakPolarHBondContact O-CD 3.3Å; P114-R155 PolarHBondContact O-NH1 3.04Å; V117-R155 PolarHBondContact O-NH1 3.28Å; V151-R155 HydrophobicContact CG1-CG 4.47Å; V151-R155 WeakPolarHBondContact O-CB 3.11Å; V151-R155 VanDerWaalsContact O-CG 3.31Å; V151-R155 WeakPolarHBondContact O-CG 3.31Å; V151-R155 PolarHBondContact O-N 3.42Å; F152-R155 PolarHBondContact O-N 3.33Å; R155-K157 PolarHBondContact O-N 2.91Å; R155-M158 HydrophobicContact CB-CE 4.21Å; R155-M158 HydrophobicContact CG-CE 4.2Å; R155-M158 WeakPolarHBondContact O-CB 3.38Å; R155-M158 PolarHBondContact O-N 2.89Å; R155-M158 VanDerWaalsContact O-N 3.07Å; R155-I159 WeakPolarHBondContact O-CD1 3.29Å; R155-I159 VanDerWaalsContact O-CG1 3.3Å; R155-I159 WeakPolarHBondContact O-CG1 3.45Å; R155-I159 PolarHBondContact O-N 2.87Å; R155-K177 PolarHBondContact NH2-O 2.95Å; R155-K177 VanDerWaalsContact NH2-O 3.13Å; R155-E182 WeakPolarHBondContact CD-OE1 3.38Å; R155-E182 IonicContact CZ-OE1 2.72Å; R155-E182 IonicContact CZ-OE2 3.92Å; R155-E182 IonicContact NE-OE1 2.8Å; R155-E182 PolarHBondContact NE-OE1 3.49Å; R155-E182 IonicContact NE-OE2 3.96Å; R155-E182 PolarHBondContact NE-OE2 3.45Å; R155-E182 IonicContact NH2-OE1 2.79Å; R155-E182 IonicContact NH2-OE2 3.39Å; R155-E182 PolarHBondContact NH2-OE2 2.72Å
156	L	96.1	Very high	94.5	Very high	63 Å²	63	53.6 Å²	53.6	33%	0.33	28%	0.28	S	S	.	.	H	α-helix	trans	-56.9	-37.4	175.2	-176.9	63.3	0	0	0	112.2	F152 S154 I159 M160 L185	F152-L156 HydrophobicContact CE1-CD2 4.32Å; F152-L156 HydrophobicContact CZ-CD1 4.31Å; F152-L156 WeakPolarHBondContact O-CB 3.48Å; F152-L156 PolarHBondContact O-N 2.62Å; S154-L156 VanDerWaalsContact C-N 3.32Å; S154-L156 PolarHBondContact O-N 3.25Å; L156-I159 PolarHBondContact O-N 3.36Å; L156-M160 WeakPolarHBondContact O-CB 3.27Å; L156-M160 PolarHBondContact O-N 3.36Å; L156-L185 HydrophobicContact CD1-CD1 4.09Å
157	K	93.5	Very high	93.9	Very high	162 Å²	162	54.7 Å²	54.7	70%	0.704	29%	0.285	S	S	*	.	H	α-helix	trans	-64.2	-44.5	175.8	-65	177.4	-178.7	174.4	0	111.5	S154 R155 M160 D161	S154-K157 PolarHBondContact O-N 3.31Å; R155-K157 PolarHBondContact O-N 2.91Å; K157-M160 PolarHBondContact O-N 3.27Å; K157-D161 WeakPolarHBondContact O-CB 3.44Å; K157-D161 PolarHBondContact O-N 2.95Å
158	M	93.5	Very high	93.2	Very high	39 Å²	39	63 Å²	63	19%	0.192	31%	0.314	C	S	.	.	H	α-helix	trans	-62.9	-41.3	176.2	176	-175.3	56.9	0	0	111.5	C115 R155 D161 A162 F178	C115-M158 HydrophobicContact CB-CE 4.4Å; C115-M158 HydrophobicContact CB-SD 4.11Å; R155-M158 HydrophobicContact CB-CE 4.21Å; R155-M158 HydrophobicContact CG-CE 4.2Å; R155-M158 WeakPolarHBondContact O-CB 3.38Å; R155-M158 PolarHBondContact O-N 2.89Å; R155-M158 VanDerWaalsContact O-N 3.07Å; M158-D161 PolarHBondContact O-N 3.42Å; M158-A162 WeakPolarHBondContact O-CB 3.42Å; M158-A162 PolarHBondContact O-N 3.44Å; M158-F178 HydrophobicContact CE-CD1 4.36Å; M158-F178 HydrophobicContact CE-CE1 3.66Å; M158-F178 HydrophobicContact SD-CE1 4.33Å
159	I	95.3	Very high	92.6	Very high	3 Å²	3	68.4 Å²	68.4	2%	0.015	34%	0.339	C	S	.	.	H	α-helix	trans	-64.4	-44.8	177.3	-66.1	159.3	0	0	0	110.7	R155 L156 A162 S163 F178 E182 L185 F186	R155-I159 WeakPolarHBondContact O-CD1 3.29Å; R155-I159 VanDerWaalsContact O-CG1 3.3Å; R155-I159 WeakPolarHBondContact O-CG1 3.45Å; R155-I159 PolarHBondContact O-N 2.87Å; L156-I159 PolarHBondContact O-N 3.36Å; I159-A162 PolarHBondContact O-N 3.18Å; I159-S163 WeakPolarHBondContact O-CB 3.48Å; I159-S163 PolarHBondContact O-N 3.15Å; I159-S163 PolarHBondContact O-OG 2.77Å; I159-F178 HydrophobicContact CB-CZ 4.48Å; I159-F178 HydrophobicContact CG1-CD1 4.49Å; I159-F178 HydrophobicContact CG1-CE1 4.05Å; I159-F178 HydrophobicContact CG1-CE2 4.1Å; I159-F178 HydrophobicContact CG1-CZ 3.83Å; I159-E182 HydrophobicContact CD1-CB 3.5Å; I159-E182 VanDerWaalsContact CD1-CB 3.5Å; I159-E182 HydrophobicContact CD1-CG 3.47Å; I159-E182 VanDerWaalsContact CD1-CG 3.47Å; I159-E182 HydrophobicContact CG1-CB 4.22Å; I159-L185 HydrophobicContact CG2-CB 4.09Å; I159-F186 HydrophobicContact CG2-CB 4.05Å
160	M	94.1	Very high	92.1	Very high	108 Å²	108	70.6 Å²	70.6	53%	0.532	35%	0.348	S	S	.	.	H	α-helix	trans	-60.9	-50.3	177	-175.4	179	-69.6	0	0	110.9	L156 K157 A162 S163 L164	L156-M160 WeakPolarHBondContact O-CB 3.27Å; L156-M160 PolarHBondContact O-N 3.36Å; K157-M160 PolarHBondContact O-N 3.27Å; M160-A162 VanDerWaalsContact C-N 3.35Å; M160-A162 PolarHBondContact O-N 3.42Å; M160-S163 PolarHBondContact O-N 3.3Å; M160-S163 PolarHBondContact O-OG 2.83Å; M160-L164 HydrophobicContact CG-CD1 3.85Å; M160-L164 HydrophobicContact CG-CG 4.34Å; M160-L164 WeakPolarHBondContact O-CB 3.36Å; M160-L164 WeakPolarHBondContact O-CG 3.39Å; M160-L164 PolarHBondContact O-N 3.23Å
161	D	92.7	Very high	91.7	Very high	90 Å²	90	64.8 Å²	64.8	48%	0.481	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-45.4	178.7	-173.6	52.1	0	0	0	111.9	K157 M158 S163 L164 N165	K157-D161 WeakPolarHBondContact O-CB 3.44Å; K157-D161 PolarHBondContact O-N 2.95Å; M158-D161 PolarHBondContact O-N 3.42Å; D161-S163 PolarHBondContact O-N 3.02Å; D161-L164 PolarHBondContact O-N 3.13Å; D161-N165 WeakPolarHBondContact O-CB 3.44Å; D161-N165 PolarHBondContact O-N 2.95Å; D161-N165 PolarHBondContact O-ND2 3.43Å; D161-N165 PolarHBondContact OD1-ND2 3.43Å
162	A	93.6	Very high	91.3	Very high	7 Å²	7	70.3 Å²	70.3	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-62	-44.8	175.8	0	0	0	0	0	112.1	M158 I159 M160 L164 N165 A166 T171 F178 F186	M158-A162 WeakPolarHBondContact O-CB 3.42Å; M158-A162 PolarHBondContact O-N 3.44Å; I159-A162 PolarHBondContact O-N 3.18Å; M160-A162 VanDerWaalsContact C-N 3.35Å; M160-A162 PolarHBondContact O-N 3.42Å; A162-L164 PolarHBondContact O-N 2.95Å; A162-N165 PolarHBondContact O-N 3Å; A162-A166 WeakPolarHBondContact O-CA 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.4Å; A162-A166 PolarHBondContact O-N 3.1Å; A162-T171 HydrophobicContact CB-CG2 4.37Å; A162-T171 WeakPolarHBondContact O-CG2 3.41Å; A162-F178 HydrophobicContact CB-CZ 4.35Å; A162-F186 HydrophobicContact CB-CD2 4.06Å; A162-F186 HydrophobicContact CB-CE2 3.86Å
163	S	93.6	Very high	90.9	Very high	5 Å²	5	70.9 Å²	70.9	4%	0.035	37%	0.365	C	S	.	.	H	α-helix	trans	-67.1	-37.3	-178.7	68.1	0	0	0	0	112.4	I159 M160 D161 F186 R193	I159-S163 WeakPolarHBondContact O-CB 3.48Å; I159-S163 PolarHBondContact O-N 3.15Å; I159-S163 PolarHBondContact O-OG 2.77Å; M160-S163 PolarHBondContact O-N 3.3Å; M160-S163 PolarHBondContact O-OG 2.83Å; D161-S163 PolarHBondContact O-N 3.02Å; S163-F186 WeakPolarHBondContact CB-O 3.47Å; S163-R193 PolarHBondContact O-NE 3.31Å
164	L	91.8	Very high	90.5	Very high	87 Å²	87	66.8 Å²	66.8	46%	0.455	35%	0.349	S	S	.	.	H	α-helix	trans	-73.7	-30.4	179.2	-68.4	179.7	0	0	0	112.8	M160 D161 A162 R193	M160-L164 HydrophobicContact CG-CD1 3.85Å; M160-L164 HydrophobicContact CG-CG 4.34Å; M160-L164 WeakPolarHBondContact O-CB 3.36Å; M160-L164 WeakPolarHBondContact O-CG 3.39Å; M160-L164 PolarHBondContact O-N 3.23Å; D161-L164 PolarHBondContact O-N 3.13Å; A162-L164 PolarHBondContact O-N 2.95Å; L164-R193 HydrophobicContact CD2-CB 4.38Å; L164-R193 WeakPolarHBondContact O-CD 3.35Å
165	N	90.3	Very high	90.3	Very high	30 Å²	30	65.3 Å²	65.3	16%	0.16	34%	0.339	C	S	.	.	H	α-helix	trans	-101.1	7.2	-179.4	-67.2	-57.7	0	0	0	114.4	D161 A162 S167 R168 Q169	D161-N165 WeakPolarHBondContact O-CB 3.44Å; D161-N165 PolarHBondContact O-N 2.95Å; D161-N165 PolarHBondContact O-ND2 3.43Å; D161-N165 PolarHBondContact OD1-ND2 3.43Å; A162-N165 PolarHBondContact O-N 3Å; N165-S167 PolarHBondContact O-N 3.33Å; N165-R168 PolarHBondContact O-N 2.56Å; N165-Q169 HydrophobicContact CB-CG 4.47Å; N165-Q169 PolarHBondContact O-N 2.72Å; N165-Q169 VanDerWaalsContact O-N 3.07Å
166	A	87.5	Confident	90.2	Very high	18 Å²	18	68.1 Å²	68.1	15%	0.149	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.9	-172.5	0	0	0	0	0	116	A162 T171 F186 Q190	A162-A166 WeakPolarHBondContact O-CA 3.32Å; A162-A166 WeakPolarHBondContact O-CB 3.4Å; A162-A166 PolarHBondContact O-N 3.1Å; A166-T171 HydrophobicContact CB-CG2 3.98Å; A166-F186 HydrophobicContact CB-CE2 4.49Å; A166-F186 HydrophobicContact CB-CZ 4.2Å; A166-Q190 HydrophobicContact CB-CG 4.38Å
167	S	83.9	Confident	90.1	Very high	75 Å²	75	68.7 Å²	68.7	52%	0.524	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-16.4	175.3	54.4	0	0	0	0	113.7	N165 R193	N165-S167 PolarHBondContact O-N 3.33Å; S167-R193 PolarHBondContact OG-NH1 3.11Å
168	R	81	Confident	90.2	Very high	191 Å²	191	61.2 Å²	61.2	72%	0.721	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-21.4	-172.6	-60.8	178.9	-176.9	168.3	0.5	112.7	N165	N165-R168 PolarHBondContact O-N 2.56Å
169	Q	82.8	Confident	90.3	Very high	115 Å²	115	59.4 Å²	59.4	54%	0.537	32%	0.317	S	S	.	.	S	Bend	trans	-136.1	151.7	-172.1	-64.2	179.1	-0.9	0	0	110.9	N165 T171	N165-Q169 HydrophobicContact CB-CG 4.47Å; N165-Q169 PolarHBondContact O-N 2.72Å; N165-Q169 VanDerWaalsContact O-N 3.07Å; Q169-T171 PolarHBondContact O-N 3.39Å
170	D	86.1	Confident	90.1	Very high	115 Å²	115	61.3 Å²	61.3	62%	0.615	33%	0.331	S	S	*	.			trans	-69.7	115.2	168.9	-177.1	9.9	0	0	0	109.9	L172	D170-L172 VanDerWaalsContact OD1-CB 3.25Å; D170-L172 WeakPolarHBondContact OD1-CB 3.39Å; D170-L172 WeakPolarHBondContact OD1-CG 3.32Å; D170-L172 PolarHBondContact OD1-N 3.31Å
171	T	87.1	Confident	90	Very high	24 Å²	24	57.7 Å²	57.7	15%	0.147	31%	0.313	C	S	.	.			trans	-95	-1	-179	52.4	0	0	0	0	113	A162 A166 Q169 S173 S174 T175 F186	A162-T171 HydrophobicContact CB-CG2 4.37Å; A162-T171 WeakPolarHBondContact O-CG2 3.41Å; A166-T171 HydrophobicContact CB-CG2 3.98Å; Q169-T171 PolarHBondContact O-N 3.39Å; T171-S173 VanDerWaalsContact C-N 3.26Å; T171-S173 PolarHBondContact O-N 3.33Å; T171-S174 PolarHBondContact O-N 3.38Å; T171-T175 WeakPolarHBondContact O-CB 3.29Å; T171-T175 VanDerWaalsContact O-CG2 3.32Å; T171-T175 WeakPolarHBondContact O-CG2 3.36Å; T171-T175 PolarHBondContact O-N 3.5Å; T171-T175 PolarHBondContact O-OG1 2.96Å; T171-F186 HydrophobicContact CG2-CE2 4.18Å; T171-F186 HydrophobicContact CG2-CZ 4.23Å
172	L	88.6	Confident	90.1	Very high	118 Å²	118	53.4 Å²	53.4	62%	0.618	29%	0.29	S	S	*	.	H	α-helix	trans	-61.9	-34.4	-178	-67.3	174.5	0	0	0	112.4	D170 S174 T175 S176	D170-L172 VanDerWaalsContact OD1-CB 3.25Å; D170-L172 WeakPolarHBondContact OD1-CB 3.39Å; D170-L172 WeakPolarHBondContact OD1-CG 3.32Å; D170-L172 PolarHBondContact OD1-N 3.31Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 2.99Å; L172-T175 WeakPolarHBondContact CA-OG1 3.21Å; L172-S176 WeakPolarHBondContact O-CB 3.32Å; L172-S176 PolarHBondContact O-N 3.38Å; L172-S176 PolarHBondContact O-OG 3.07Å
173	S	88.4	Confident	90	Very high	75 Å²	75	55.4 Å²	55.4	52%	0.524	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-38.2	178.5	61.1	0	0	0	0	113.1	T171 S176	T171-S173 VanDerWaalsContact C-N 3.26Å; T171-S173 PolarHBondContact O-N 3.33Å; S173-S176 PolarHBondContact O-OG 3.27Å
174	S	88.1	Confident	89.9	Confident	31 Å²	31	55.7 Å²	55.7	22%	0.217	30%	0.301	C	S	.	.	H	α-helix	trans	-83.7	-49.7	176.7	-57.8	0	0	0	0	111.4	T171 L172 S176 K177 F178	T171-S174 PolarHBondContact O-N 3.38Å; L172-S174 VanDerWaalsContact C-N 3.34Å; L172-S174 PolarHBondContact O-N 2.99Å; S174-S176 VanDerWaalsContact C-N 3.27Å; S174-S176 PolarHBondContact O-N 2.9Å; S174-K177 WeakPolarHBondContact O-CB 3.49Å; S174-K177 PolarHBondContact O-N 2.91Å; S174-F178 WeakPolarHBondContact O-CD1 3.34Å; S174-F178 VanDerWaalsContact O-CE1 3.23Å; S174-F178 WeakPolarHBondContact O-CE1 3.41Å
175	T	92.2	Very high	89.9	Confident	16 Å²	16	53.7 Å²	53.7	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-25.2	-174.3	56.1	0	0	0	0	113.8	T171 L172 K177 F178 M183 F186	T171-T175 WeakPolarHBondContact O-CB 3.29Å; T171-T175 VanDerWaalsContact O-CG2 3.32Å; T171-T175 WeakPolarHBondContact O-CG2 3.36Å; T171-T175 PolarHBondContact O-N 3.5Å; T171-T175 PolarHBondContact O-OG1 2.96Å; L172-T175 WeakPolarHBondContact CA-OG1 3.21Å; T175-K177 PolarHBondContact O-N 2.8Å; T175-F178 HydrophobicContact CG2-CD2 4.01Å; T175-F178 HydrophobicContact CG2-CE2 3.81Å; T175-F178 PolarHBondContact O-N 3.07Å; T175-M183 HydrophobicContact CG2-SD 4.31Å; T175-F186 HydrophobicContact CG2-CD1 3.96Å; T175-F186 HydrophobicContact CG2-CD2 4.13Å; T175-F186 HydrophobicContact CG2-CE1 3.73Å; T175-F186 HydrophobicContact CG2-CE2 3.88Å; T175-F186 HydrophobicContact CG2-CG 4.16Å; T175-F186 HydrophobicContact CG2-CZ 3.68Å
176	S	93.7	Very high	90.1	Very high	59 Å²	59	52.6 Å²	52.6	41%	0.413	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.6	172.7	54.6	0	0	0	0	113.3	K120 L172 S173 S174	K120-S176 WeakPolarHBondContact CB-O 3.4Å; K120-S176 VanDerWaalsContact CD-O 3.25Å; K120-S176 WeakPolarHBondContact CD-O 3.37Å; L172-S176 WeakPolarHBondContact O-CB 3.32Å; L172-S176 PolarHBondContact O-N 3.38Å; L172-S176 PolarHBondContact O-OG 3.07Å; S173-S176 PolarHBondContact O-OG 3.27Å; S174-S176 VanDerWaalsContact C-N 3.27Å; S174-S176 PolarHBondContact O-N 2.9Å
177	K	95	Very high	90.2	Very high	75 Å²	75	55.8 Å²	55.8	33%	0.326	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-7	-178.5	-59.5	179.4	-173.1	177.8	0	114	D118 L119 K120 R155 S174 T175	D118-K177 HydrophobicContact CB-CB 4.46Å; D118-K177 HydrophobicContact CB-CG 4.24Å; L119-K177 PolarHBondContact N-O 3.35Å; L119-K177 VanDerWaalsContact N-O 3.07Å; K120-K177 PolarHBondContact N-O 2.88Å; R155-K177 PolarHBondContact NH2-O 2.95Å; R155-K177 VanDerWaalsContact NH2-O 3.13Å; S174-K177 WeakPolarHBondContact O-CB 3.49Å; S174-K177 PolarHBondContact O-N 2.91Å; T175-K177 PolarHBondContact O-N 2.8Å
178	F	95.4	Very high	90.6	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.018	28%	0.281	C	S	.	.			trans	-75.3	134.5	-171.9	-72.2	-3.6	0	0	0	111.9	K120 M158 I159 A162 S174 T175 E182 M183 F186	K120-F178 WeakPolarHBondContact CB-O 3.4Å; M158-F178 HydrophobicContact CE-CD1 4.36Å; M158-F178 HydrophobicContact CE-CE1 3.66Å; M158-F178 HydrophobicContact SD-CE1 4.33Å; I159-F178 HydrophobicContact CB-CZ 4.48Å; I159-F178 HydrophobicContact CG1-CD1 4.49Å; I159-F178 HydrophobicContact CG1-CE1 4.05Å; I159-F178 HydrophobicContact CG1-CE2 4.1Å; I159-F178 HydrophobicContact CG1-CZ 3.83Å; A162-F178 HydrophobicContact CB-CZ 4.35Å; S174-F178 WeakPolarHBondContact O-CD1 3.34Å; S174-F178 VanDerWaalsContact O-CE1 3.23Å; S174-F178 WeakPolarHBondContact O-CE1 3.41Å; T175-F178 HydrophobicContact CG2-CD2 4.01Å; T175-F178 HydrophobicContact CG2-CE2 3.81Å; T175-F178 PolarHBondContact O-N 3.07Å; F178-E182 WeakPolarHBondContact CA-OE2 3.44Å; F178-E182 HydrophobicContact CB-CB 3.81Å; F178-E182 HydrophobicContact CD2-CB 4.48Å; F178-E182 HydrophobicContact CG-CB 4.03Å; F178-M183 HydrophobicContact CB-CB 4.38Å; F178-M183 HydrophobicContact CD2-SD 4.34Å; F178-F186 HydrophobicContact CD2-CB 4.15Å; F178-F186 HydrophobicContact CD2-CG 4.47Å; F178-F186 HydrophobicContact CE2-CB 3.99Å; F178-F186 AromaticContact CE2-CD2 3.94Å; F178-F186 HydrophobicContact CE2-CD2 3.94Å; F178-F186 HydrophobicContact CE2-CG 4.07Å
179	D	94.5	Very high	91.1	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	26%	0.255	C	S	.	.			trans	-60.3	163	164.4	-176.1	71.7	0	0	0	111.2	L119 M125 Y126 Y127 L181 E182 M183	L119-D179 HydrophobicContact CB-CB 4.05Å; L119-D179 HydrophobicContact CD1-CB 4.14Å; M125-D179 VanDerWaalsContact CA-OD1 3.24Å; M125-D179 WeakPolarHBondContact CA-OD1 3.25Å; M125-D179 PolarHBondContact N-OD1 3.48Å; Y126-D179 PolarHBondContact N-OD1 3.2Å; Y127-D179 HydrophobicContact CD2-CB 4.13Å; Y127-D179 WeakPolarHBondContact CD2-OD2 3.31Å; Y127-D179 HydrophobicContact CE2-CB 3.99Å; D179-L181 VanDerWaalsContact C-N 3.28Å; D179-L181 PolarHBondContact O-N 2.88Å; D179-L181 WeakPolarHBondContact OD2-CB 3.49Å; D179-L181 PolarHBondContact OD2-N 3.43Å; D179-L181 VanDerWaalsContact OD2-N 3.09Å; D179-E182 HydrophobicContact CB-CB 4.32Å; D179-E182 HydrophobicContact CB-CG 3.97Å; D179-E182 PolarHBondContact N-OE2 3.41Å; D179-E182 WeakPolarHBondContact O-CB 3.3Å; D179-E182 PolarHBondContact O-N 3.01Å; D179-E182 VanDerWaalsContact O-N 3.11Å; D179-M183 WeakPolarHBondContact O-CB 3.22Å; D179-M183 PolarHBondContact O-N 3.03Å
180	S	92.1	Very high	91.5	Very high	44 Å²	44	44 Å²	44	31%	0.308	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-40.1	178.6	-58.4	0	0	0	0	112.7	S124 M125 M183 A184	S124-S180 VanDerWaalsContact O-CB 3.3Å; S124-S180 WeakPolarHBondContact O-CB 3.34Å; S124-S180 PolarHBondContact O-N 3.2Å; S124-S180 PolarHBondContact O-OG 2.9Å; M125-S180 VanDerWaalsContact CE-OG 3.3Å; M125-S180 WeakPolarHBondContact CE-OG 3.47Å; M125-S180 WeakPolarHBondContact SD-CB 3.08Å; M125-S180 PolarHBondContact SD-OG 3.23Å; M125-S180 VanDerWaalsContact SD-OG 3.35Å; S180-M183 PolarHBondContact O-N 3.42Å; S180-A184 PolarHBondContact O-N 3.49Å
181	L	91.3	Very high	91.6	Very high	31 Å²	31	41.7 Å²	41.7	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-45.8	175.5	-174.6	168	0	0	0	110.8	L13 Y127 F152 D179 M183 A184 L185	L13-L181 HydrophobicContact CD1-CG 4.31Å; L13-L181 HydrophobicContact CD2-CD1 3.65Å; L13-L181 HydrophobicContact CD2-CG 4.02Å; Y127-L181 HydrophobicContact CD2-CB 4.1Å; Y127-L181 HydrophobicContact CD2-CD1 4.13Å; Y127-L181 HydrophobicContact CG-CD1 4.07Å; F152-L181 HydrophobicContact CE2-CD2 3.68Å; F152-L181 HydrophobicContact CZ-CD2 4.41Å; D179-L181 VanDerWaalsContact C-N 3.28Å; D179-L181 PolarHBondContact O-N 2.88Å; D179-L181 WeakPolarHBondContact OD2-CB 3.49Å; D179-L181 PolarHBondContact OD2-N 3.43Å; D179-L181 VanDerWaalsContact OD2-N 3.09Å; L181-M183 VanDerWaalsContact C-N 3.3Å; L181-M183 PolarHBondContact O-N 2.93Å; L181-A184 WeakPolarHBondContact O-CB 3.44Å; L181-A184 PolarHBondContact O-N 3.26Å; L181-A184 VanDerWaalsContact O-N 3.15Å; L181-L185 HydrophobicContact CD2-CD1 3.45Å; L181-L185 VanDerWaalsContact CD2-CD1 3.45Å; L181-L185 HydrophobicContact CD2-CG 3.93Å; L181-L185 PolarHBondContact O-N 3.41Å
182	E	94.3	Very high	91.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-39.2	179.9	-63.5	-179.6	158.1	0	0	111.7	Y127 R155 I159 F178 D179 A184 L185 F186	Y127-E182 HydrophobicContact CD2-CG 4.48Å; Y127-E182 HydrophobicContact CE2-CG 3.64Å; Y127-E182 WeakPolarHBondContact CE2-OE1 3.37Å; Y127-E182 PolarHBondContact OH-OE1 3.19Å; R155-E182 WeakPolarHBondContact CD-OE1 3.38Å; R155-E182 IonicContact CZ-OE1 2.72Å; R155-E182 IonicContact CZ-OE2 3.92Å; R155-E182 IonicContact NE-OE1 2.8Å; R155-E182 PolarHBondContact NE-OE1 3.49Å; R155-E182 IonicContact NE-OE2 3.96Å; R155-E182 PolarHBondContact NE-OE2 3.45Å; R155-E182 IonicContact NH2-OE1 2.79Å; R155-E182 IonicContact NH2-OE2 3.39Å; R155-E182 PolarHBondContact NH2-OE2 2.72Å; I159-E182 HydrophobicContact CD1-CB 3.5Å; I159-E182 VanDerWaalsContact CD1-CB 3.5Å; I159-E182 HydrophobicContact CD1-CG 3.47Å; I159-E182 VanDerWaalsContact CD1-CG 3.47Å; I159-E182 HydrophobicContact CG1-CB 4.22Å; F178-E182 WeakPolarHBondContact CA-OE2 3.44Å; F178-E182 HydrophobicContact CB-CB 3.81Å; F178-E182 HydrophobicContact CD2-CB 4.48Å; F178-E182 HydrophobicContact CG-CB 4.03Å; D179-E182 HydrophobicContact CB-CB 4.32Å; D179-E182 HydrophobicContact CB-CG 3.97Å; D179-E182 PolarHBondContact N-OE2 3.41Å; D179-E182 WeakPolarHBondContact O-CB 3.3Å; D179-E182 PolarHBondContact O-N 3.01Å; D179-E182 VanDerWaalsContact O-N 3.11Å; E182-A184 VanDerWaalsContact C-N 3.33Å; E182-L185 PolarHBondContact O-N 2.84Å; E182-F186 WeakPolarHBondContact O-CB 3.43Å; E182-F186 PolarHBondContact O-N 2.88Å
183	M	93.1	Very high	91.8	Very high	50 Å²	50	40.1 Å²	40.1	25%	0.246	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-36.8	175.2	-167.1	65.1	-166.5	0	0	111.7	T175 F178 D179 S180 L181 F186 R187	T175-M183 HydrophobicContact CG2-SD 4.31Å; F178-M183 HydrophobicContact CB-CB 4.38Å; F178-M183 HydrophobicContact CD2-SD 4.34Å; D179-M183 WeakPolarHBondContact O-CB 3.22Å; D179-M183 PolarHBondContact O-N 3.03Å; S180-M183 PolarHBondContact O-N 3.42Å; L181-M183 VanDerWaalsContact C-N 3.3Å; L181-M183 PolarHBondContact O-N 2.93Å; M183-F186 HydrophobicContact CE-CD1 4.1Å; M183-F186 HydrophobicContact CE-CE1 4.42Å; M183-F186 HydrophobicContact SD-CD1 4.3Å; M183-R187 VanDerWaalsContact O-CG 3.32Å; M183-R187 WeakPolarHBondContact O-CG 3.39Å; M183-R187 PolarHBondContact O-N 3.06Å; M183-R187 VanDerWaalsContact O-N 3.13Å
184	A	90.7	Very high	91.9	Very high	10 Å²	10	39.8 Å²	39.8	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-64.4	-47.7	173.2	0	0	0	0	0	111.3	W9 S180 L181 E182 F186 R187 I188	W9-A184 HydrophobicContact CB-CB 4.19Å; S180-A184 PolarHBondContact O-N 3.49Å; L181-A184 WeakPolarHBondContact O-CB 3.44Å; L181-A184 PolarHBondContact O-N 3.26Å; L181-A184 VanDerWaalsContact O-N 3.15Å; E182-A184 VanDerWaalsContact C-N 3.33Å; A184-F186 VanDerWaalsContact C-N 3.34Å; A184-F186 PolarHBondContact O-N 3.32Å; A184-R187 PolarHBondContact O-N 2.79Å; A184-I188 WeakPolarHBondContact O-CG1 3.29Å; A184-I188 PolarHBondContact O-N 3.43Å
185	L	92.1	Very high	91.9	Very high	45 Å²	45	44 Å²	44	24%	0.236	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-41.5	176	-71.8	177.4	0	0	0	112.5	F152 L156 I159 L181 E182 R187 I188 G189	F152-L185 HydrophobicContact CE2-CD1 3.75Å; F152-L185 HydrophobicContact CZ-CD1 3.79Å; L156-L185 HydrophobicContact CD1-CD1 4.09Å; I159-L185 HydrophobicContact CG2-CB 4.09Å; L181-L185 HydrophobicContact CD2-CD1 3.45Å; L181-L185 VanDerWaalsContact CD2-CD1 3.45Å; L181-L185 HydrophobicContact CD2-CG 3.93Å; L181-L185 PolarHBondContact O-N 3.41Å; E182-L185 PolarHBondContact O-N 2.84Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 3.06Å; L185-I188 HydrophobicContact CD2-CD1 4.43Å; L185-I188 PolarHBondContact O-N 2.95Å; L185-G189 PolarHBondContact O-N 2.88Å
186	F	93.4	Very high	91.8	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	25%	0.25	C	S	.	.	H	α-helix	trans	-57.4	-45.7	174.9	171.9	-98	0	0	0	111.8	I159 A162 S163 A166 T171 T175 F178 E182 M183 A184 G189 Q190	I159-F186 HydrophobicContact CG2-CB 4.05Å; A162-F186 HydrophobicContact CB-CD2 4.06Å; A162-F186 HydrophobicContact CB-CE2 3.86Å; S163-F186 WeakPolarHBondContact CB-O 3.47Å; A166-F186 HydrophobicContact CB-CE2 4.49Å; A166-F186 HydrophobicContact CB-CZ 4.2Å; T171-F186 HydrophobicContact CG2-CE2 4.18Å; T171-F186 HydrophobicContact CG2-CZ 4.23Å; T175-F186 HydrophobicContact CG2-CD1 3.96Å; T175-F186 HydrophobicContact CG2-CD2 4.13Å; T175-F186 HydrophobicContact CG2-CE1 3.73Å; T175-F186 HydrophobicContact CG2-CE2 3.88Å; T175-F186 HydrophobicContact CG2-CG 4.16Å; T175-F186 HydrophobicContact CG2-CZ 3.68Å; F178-F186 HydrophobicContact CD2-CB 4.15Å; F178-F186 HydrophobicContact CD2-CG 4.47Å; F178-F186 HydrophobicContact CE2-CB 3.99Å; F178-F186 AromaticContact CE2-CD2 3.94Å; F178-F186 HydrophobicContact CE2-CD2 3.94Å; F178-F186 HydrophobicContact CE2-CG 4.07Å; E182-F186 WeakPolarHBondContact O-CB 3.43Å; E182-F186 PolarHBondContact O-N 2.88Å; M183-F186 HydrophobicContact CE-CD1 4.1Å; M183-F186 HydrophobicContact CE-CE1 4.42Å; M183-F186 HydrophobicContact SD-CD1 4.3Å; A184-F186 VanDerWaalsContact C-N 3.34Å; A184-F186 PolarHBondContact O-N 3.32Å; F186-G189 PolarHBondContact O-N 2.82Å; F186-Q190 WeakPolarHBondContact O-CB 3.44Å; F186-Q190 PolarHBondContact O-N 3.38Å
187	R	91.3	Very high	91.5	Very high	86 Å²	86	49.4 Å²	49.4	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-38.6	179	-71.4	171.7	-178.9	174.1	2	112.6	M183 A184 L185 Q190 T191	M183-R187 VanDerWaalsContact O-CG 3.32Å; M183-R187 WeakPolarHBondContact O-CG 3.39Å; M183-R187 PolarHBondContact O-N 3.06Å; M183-R187 VanDerWaalsContact O-N 3.13Å; A184-R187 PolarHBondContact O-N 2.79Å; L185-R187 VanDerWaalsContact C-N 3.33Å; L185-R187 PolarHBondContact O-N 3.06Å; R187-Q190 PolarHBondContact O-N 3.03Å; R187-T191 WeakPolarHBondContact O-CB 3.37Å; R187-T191 PolarHBondContact O-N 2.92Å; R187-T191 PolarHBondContact O-OG1 2.8Å
188	I	90.7	Very high	91.2	Very high	53 Å²	53	53.3 Å²	53.3	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-60.3	-53.6	173.9	-66.6	161.7	0	0	0	109.2	T10 A184 L185 Q190 T191 D192	T10-I188 HydrophobicContact CG2-CD1 3.65Å; T10-I188 HydrophobicContact CG2-CG1 4.18Å; A184-I188 WeakPolarHBondContact O-CG1 3.29Å; A184-I188 PolarHBondContact O-N 3.43Å; L185-I188 HydrophobicContact CD2-CD1 4.43Å; L185-I188 PolarHBondContact O-N 2.95Å; I188-Q190 VanDerWaalsContact C-N 3.29Å; I188-Q190 PolarHBondContact O-N 3Å; I188-T191 WeakPolarHBondContact O-CB 3.32Å; I188-T191 PolarHBondContact O-N 3.37Å; I188-D192 PolarHBondContact O-N 2.93Å
189	G	91.9	Very high	90.9	Very high	17 Å²	17	61.1 Å²	61.1	18%	0.175	29%	0.29	C	S	.	.	H	α-helix	trans	-58.3	-38.5	178.3	0	0	0	0	0	113.4	L185 F186 R193	L185-G189 PolarHBondContact O-N 2.88Å; F186-G189 PolarHBondContact O-N 2.82Å; G189-R193 WeakPolarHBondContact O-CB 3.37Å; G189-R193 PolarHBondContact O-N 2.93Å
190	Q	91.2	Very high	90.6	Very high	64 Å²	64	66.1 Å²	66.1	30%	0.299	32%	0.315	S	S	.	.	H	α-helix	trans	-66.2	-42.1	175.8	-171.8	-176.5	46	0	0	111.9	A166 F186 R187 I188 L194	A166-Q190 HydrophobicContact CB-CG 4.38Å; F186-Q190 WeakPolarHBondContact O-CB 3.44Å; F186-Q190 PolarHBondContact O-N 3.38Å; R187-Q190 PolarHBondContact O-N 3.03Å; I188-Q190 VanDerWaalsContact C-N 3.29Å; I188-Q190 PolarHBondContact O-N 3Å; Q190-L194 HydrophobicContact CG-CD1 4.37Å; Q190-L194 VanDerWaalsContact O-CG 3.29Å; Q190-L194 WeakPolarHBondContact O-CG 3.28Å; Q190-L194 PolarHBondContact O-N 3.43Å
191	T	89.4	Confident	90.4	Very high	66 Å²	66	66.9 Å²	66.9	41%	0.405	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-48.2	178.3	-58.6	0	0	0	0	110.4	R187 I188 R193 L194 Q195	R187-T191 WeakPolarHBondContact O-CB 3.37Å; R187-T191 PolarHBondContact O-N 2.92Å; R187-T191 PolarHBondContact O-OG1 2.8Å; I188-T191 WeakPolarHBondContact O-CB 3.32Å; I188-T191 PolarHBondContact O-N 3.37Å; T191-R193 PolarHBondContact O-N 3.18Å; T191-L194 PolarHBondContact O-N 3.33Å; T191-Q195 WeakPolarHBondContact O-CG 3.43Å; T191-Q195 PolarHBondContact O-N 2.72Å
192	D	90.4	Very high	90.1	Very high	88 Å²	88	75.3 Å²	75.3	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-41.7	-180	-68.7	-7.1	0	0	0	111.5	I188 L194 Q195 F196	I188-D192 PolarHBondContact O-N 2.93Å; D192-L194 PolarHBondContact O-N 2.9Å; D192-Q195 PolarHBondContact O-N 2.98Å; D192-F196 WeakPolarHBondContact O-CB 3.01Å; D192-F196 PolarHBondContact O-N 3.48Å
193	R	89.5	Confident	89.2	Confident	21 Å²	21	82.1 Å²	82.1	8%	0.079	38%	0.382	C	S	.	.	H	α-helix	trans	-59.8	-46.6	173.4	-177.4	-170.5	60.6	74.5	10.8	111.7	S163 L164 S167 G189 T191 Q195 F196 E197	S163-R193 PolarHBondContact O-NE 3.31Å; L164-R193 HydrophobicContact CD2-CB 4.38Å; L164-R193 WeakPolarHBondContact O-CD 3.35Å; S167-R193 PolarHBondContact OG-NH1 3.11Å; G189-R193 WeakPolarHBondContact O-CB 3.37Å; G189-R193 PolarHBondContact O-N 2.93Å; T191-R193 PolarHBondContact O-N 3.18Å; R193-Q195 VanDerWaalsContact C-N 3.32Å; R193-Q195 PolarHBondContact O-N 2.87Å; R193-F196 WeakPolarHBondContact O-CB 3.5Å; R193-F196 PolarHBondContact O-N 3.48Å; R193-E197 IonicContact CZ-OE1 2.74Å; R193-E197 IonicContact CZ-OE2 3.69Å; R193-E197 IonicContact NH1-OE1 3.47Å; R193-E197 PolarHBondContact NH1-OE1 3.46Å; R193-E197 IonicContact NH1-OE2 3.33Å; R193-E197 PolarHBondContact NH1-OE2 2.87Å; R193-E197 WeakPolarHBondContact O-CG 3.48Å; R193-E197 PolarHBondContact O-N 3.21Å
194	L	89.1	Confident	88	Confident	68 Å²	68	85 Å²	85	36%	0.356	40%	0.395	S	S	.	.	H	α-helix	trans	-64.3	-39	179.6	-73.5	172	0	0	0	111.6	Q190 T191 D192 F196 E197 R198	Q190-L194 HydrophobicContact CG-CD1 4.37Å; Q190-L194 VanDerWaalsContact O-CG 3.29Å; Q190-L194 WeakPolarHBondContact O-CG 3.28Å; Q190-L194 PolarHBondContact O-N 3.43Å; T191-L194 PolarHBondContact O-N 3.33Å; D192-L194 PolarHBondContact O-N 2.9Å; L194-F196 VanDerWaalsContact C-N 3.34Å; L194-E197 PolarHBondContact O-N 3.25Å; L194-R198 WeakPolarHBondContact O-CB 3.39Å; L194-R198 VanDerWaalsContact O-CG 3.28Å; L194-R198 WeakPolarHBondContact O-CG 3.35Å; L194-R198 PolarHBondContact O-N 3Å
195	Q	88.4	Confident	86.9	Confident	119 Å²	119	93.4 Å²	93.4	56%	0.556	43%	0.432	S	S	*	.	H	α-helix	trans	-62.4	-43	173.1	-71.6	-177.1	7.9	0	0	111.2	T191 D192 R193 R198 W199	T191-Q195 WeakPolarHBondContact O-CG 3.43Å; T191-Q195 PolarHBondContact O-N 2.72Å; D192-Q195 PolarHBondContact O-N 2.98Å; R193-Q195 VanDerWaalsContact C-N 3.32Å; R193-Q195 PolarHBondContact O-N 2.87Å; Q195-R198 PolarHBondContact O-N 3.07Å; Q195-W199 WeakPolarHBondContact O-CB 3.47Å; Q195-W199 PolarHBondContact O-N 3.24Å
196	F	89.6	Confident	85.7	Confident	112 Å²	112	99 Å²	99	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-64.2	-42	177	-176	-111.4	0	0	0	112.7	D192 R193 L194 W199 I200	D192-F196 WeakPolarHBondContact O-CB 3.01Å; D192-F196 PolarHBondContact O-N 3.48Å; R193-F196 WeakPolarHBondContact O-CB 3.5Å; R193-F196 PolarHBondContact O-N 3.48Å; L194-F196 VanDerWaalsContact C-N 3.34Å; F196-W199 AromaticContact CD2-CE3 3.9Å; F196-W199 HydrophobicContact CD2-CE3 3.9Å; F196-W199 HydrophobicContact CD2-CZ3 4.3Å; F196-W199 AromaticContact CE2-CE3 3.79Å; F196-W199 HydrophobicContact CE2-CE3 3.79Å; F196-W199 AromaticContact CE2-CZ3 3.74Å; F196-W199 HydrophobicContact CE2-CZ3 3.74Å; F196-W199 WeakPolarHBondContact O-CB 3.49Å; F196-W199 PolarHBondContact O-N 3.47Å; F196-I200 HydrophobicContact CD1-CD1 3.76Å; F196-I200 HydrophobicContact CE1-CD1 3.26Å; F196-I200 HydrophobicContact CE1-CG1 4.27Å; F196-I200 HydrophobicContact CE2-CD1 4.22Å; F196-I200 HydrophobicContact CE2-CG1 4.46Å; F196-I200 HydrophobicContact CG-CD1 4.44Å; F196-I200 HydrophobicContact CZ-CD1 3.53Å; F196-I200 HydrophobicContact CZ-CG1 4.21Å; F196-I200 WeakPolarHBondContact O-CG1 3.19Å; F196-I200 PolarHBondContact O-N 2.9Å
197	E	89	Confident	84.4	Confident	76 Å²	76	106.5 Å²	106.5	36%	0.355	49%	0.493	S	S	.	.	H	α-helix	trans	-63.9	-41.4	174.7	-76.6	-179.6	173.7	0	0	112.3	R193 L194 W199 I200 S201	R193-E197 IonicContact CZ-OE1 2.74Å; R193-E197 IonicContact CZ-OE2 3.69Å; R193-E197 IonicContact NH1-OE1 3.47Å; R193-E197 PolarHBondContact NH1-OE1 3.46Å; R193-E197 IonicContact NH1-OE2 3.33Å; R193-E197 PolarHBondContact NH1-OE2 2.87Å; R193-E197 WeakPolarHBondContact O-CG 3.48Å; R193-E197 PolarHBondContact O-N 3.21Å; L194-E197 PolarHBondContact O-N 3.25Å; E197-W199 VanDerWaalsContact C-N 3.31Å; E197-W199 PolarHBondContact O-N 3.49Å; E197-I200 PolarHBondContact O-N 2.86Å; E197-S201 WeakPolarHBondContact O-CB 3.47Å; E197-S201 PolarHBondContact O-N 3.22Å; E197-S201 PolarHBondContact O-OG 3.45Å
198	R	88.4	Confident	83.4	Confident	158 Å²	158	107.9 Å²	107.9	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-61.9	-40.9	173.4	-74	174.9	-175.8	-171.6	2.5	111.6	L194 Q195 S201 R202 H203	L194-R198 WeakPolarHBondContact O-CB 3.39Å; L194-R198 VanDerWaalsContact O-CG 3.28Å; L194-R198 WeakPolarHBondContact O-CG 3.35Å; L194-R198 PolarHBondContact O-N 3Å; Q195-R198 PolarHBondContact O-N 3.07Å; R198-S201 WeakPolarHBondContact CA-OG 3.27Å; R198-S201 PolarHBondContact O-N 2.76Å; R198-S201 PolarHBondContact O-OG 2.95Å; R198-S201 VanDerWaalsContact O-OG 3.07Å; R198-R202 PolarHBondContact O-N 3.48Å; R198-H203 HydrophobicContact CB-CB 4.45Å; R198-H203 PolarHBondContact O-N 2.9Å
199	W	87.7	Confident	82.4	Confident	168 Å²	168	107.5 Å²	107.5	64%	0.636	51%	0.508	S	S	*	.	H	α-helix	trans	-63.8	-49.1	176.9	179.2	71.9	0	0	0	111.9	Q195 F196 E197 S201 R202	Q195-W199 WeakPolarHBondContact O-CB 3.47Å; Q195-W199 PolarHBondContact O-N 3.24Å; F196-W199 AromaticContact CD2-CE3 3.9Å; F196-W199 HydrophobicContact CD2-CE3 3.9Å; F196-W199 HydrophobicContact CD2-CZ3 4.3Å; F196-W199 AromaticContact CE2-CE3 3.79Å; F196-W199 HydrophobicContact CE2-CE3 3.79Å; F196-W199 AromaticContact CE2-CZ3 3.74Å; F196-W199 HydrophobicContact CE2-CZ3 3.74Å; F196-W199 WeakPolarHBondContact O-CB 3.49Å; F196-W199 PolarHBondContact O-N 3.47Å; E197-W199 VanDerWaalsContact C-N 3.31Å; E197-W199 PolarHBondContact O-N 3.49Å; W199-S201 VanDerWaalsContact C-N 3.33Å; W199-S201 PolarHBondContact O-N 2.9Å; W199-R202 PolarHBondContact O-N 3.11Å
200	I	88.9	Confident	81.4	Confident	105 Å²	105	112.5 Å²	112.5	54%	0.538	53%	0.53	S	S	.	.	H	α-helix	trans	-58.2	-45.3	176.1	-74.1	173.6	0	0	0	111.4	F196 E197 R202	F196-I200 HydrophobicContact CD1-CD1 3.76Å; F196-I200 HydrophobicContact CE1-CD1 3.26Å; F196-I200 HydrophobicContact CE1-CG1 4.27Å; F196-I200 HydrophobicContact CE2-CD1 4.22Å; F196-I200 HydrophobicContact CE2-CG1 4.46Å; F196-I200 HydrophobicContact CG-CD1 4.44Å; F196-I200 HydrophobicContact CZ-CD1 3.53Å; F196-I200 HydrophobicContact CZ-CG1 4.21Å; F196-I200 WeakPolarHBondContact O-CG1 3.19Å; F196-I200 PolarHBondContact O-N 2.9Å; E197-I200 PolarHBondContact O-N 2.86Å; I200-R202 PolarHBondContact O-N 3.09Å; I200-R202 VanDerWaalsContact O-N 3.11Å
201	S	89	Confident	80.4	Confident	60 Å²	60	119 Å²	119	42%	0.42	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	4.5	179.7	59.2	0	0	0	0	113.6	E197 R198 W199 H203	E197-S201 WeakPolarHBondContact O-CB 3.47Å; E197-S201 PolarHBondContact O-N 3.22Å; E197-S201 PolarHBondContact O-OG 3.45Å; R198-S201 WeakPolarHBondContact CA-OG 3.27Å; R198-S201 PolarHBondContact O-N 2.76Å; R198-S201 PolarHBondContact O-OG 2.95Å; R198-S201 VanDerWaalsContact O-OG 3.07Å; W199-S201 VanDerWaalsContact C-N 3.33Å; W199-S201 PolarHBondContact O-N 2.9Å; S201-H203 VanDerWaalsContact CB-ND1 3.27Å; S201-H203 WeakPolarHBondContact CB-ND1 3.37Å; S201-H203 PolarHBondContact O-N 3.36Å; S201-H203 VanDerWaalsContact O-N 3.16Å; S201-H203 PolarHBondContact O-ND1 3.16Å; S201-H203 PolarHBondContact OG-ND1 2.72Å
202	R	83.4	Confident	79.6	Confident	208 Å²	208	120.4 Å²	120.4	79%	0.785	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.7	21.7	-177.1	-55.7	-175.9	175.5	-171.6	-1.3	114.1	R198 W199 I200 H204	R198-R202 PolarHBondContact O-N 3.48Å; W199-R202 PolarHBondContact O-N 3.11Å; I200-R202 PolarHBondContact O-N 3.09Å; I200-R202 VanDerWaalsContact O-N 3.11Å; R202-H204 PolarHBondContact O-N 3.16Å; R202-H204 VanDerWaalsContact O-N 3.11Å
203	H	76	Confident	78.5	Confident	143 Å²	143	119.5 Å²	119.5	66%	0.662	56%	0.558	S	S	*	*			trans	-81.4	35.4	168.9	-66.5	89.8	0	0	0	111.5	R198 S201	R198-H203 HydrophobicContact CB-CB 4.45Å; R198-H203 PolarHBondContact O-N 2.9Å; S201-H203 VanDerWaalsContact CB-ND1 3.27Å; S201-H203 WeakPolarHBondContact CB-ND1 3.37Å; S201-H203 PolarHBondContact O-N 3.36Å; S201-H203 VanDerWaalsContact O-N 3.16Å; S201-H203 PolarHBondContact O-ND1 3.16Å; S201-H203 PolarHBondContact OG-ND1 2.72Å
204	H	68.4	Low	76.9	Confident	112 Å²	112	125.7 Å²	125.7	52%	0.519	58%	0.582	S	S	.	*	S	Bend	trans	-76.4	148.8	168	56.6	-84.8	0	0	0	108.6	R202 K206	R202-H204 PolarHBondContact O-N 3.16Å; R202-H204 VanDerWaalsContact O-N 3.11Å; H204-K206 PolarHBondContact O-N 2.91Å; H204-K206 VanDerWaalsContact O-N 3.09Å
205	E	67.8	Low	75.8	Confident	185 Å²	185	130 Å²	130	86%	0.864	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-53.4	122.6	169.2	-65	-175.3	171.3	0	0	107.7	I207	E205-I207 PolarHBondContact O-N 3.16Å; E205-I207 VanDerWaalsContact O-N 3.16Å
206	K	65.9	Low	74.9	Confident	163 Å²	163	129.5 Å²	129.5	71%	0.709	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-52.7	127	169.9	-179	179.1	-179.2	178.6	0	106.2	H204 E208	H204-K206 PolarHBondContact O-N 2.91Å; H204-K206 VanDerWaalsContact O-N 3.09Å; K206-E208 HydrophobicContact CG-CG 4.45Å; K206-E208 PolarHBondContact O-N 3.39Å
207	I	67.5	Low	73.5	Confident	164 Å²	164	130.4 Å²	130.4	84%	0.841	61%	0.614	S	S	*	*			trans	-63.9	90.2	171.7	-57.4	172.4	0	0	0	106.4	E205	E205-I207 PolarHBondContact O-N 3.16Å; E205-I207 VanDerWaalsContact O-N 3.16Å
208	E	68.4	Low	72.1	Confident	115 Å²	115	132.7 Å²	132.7	54%	0.537	63%	0.633	S	S	.	*			trans	-79.5	130.9	169.1	-65.5	-158.1	153.4	0	0	107.3	K206 L210	K206-E208 HydrophobicContact CG-CG 4.45Å; K206-E208 PolarHBondContact O-N 3.39Å; E208-L210 PolarHBondContact O-N 3.33Å; E208-L210 VanDerWaalsContact O-N 3.16Å
209	A	71.3	Confident	70.2	Confident	45 Å²	45	137.4 Å²	137.4	37%	0.372	66%	0.658	S	S	.	*			trans	-54.7	126.9	166.7	0	0	0	0	0	107.9	R211 R214	A209-R211 PolarHBondContact O-N 2.82Å; A209-R211 VanDerWaalsContact O-N 3.16Å; A209-R214 HydrophobicContact CB-CG 4.31Å
210	L	70.7	Confident	69.3	Low	123 Å²	123	135.9 Å²	135.9	64%	0.644	66%	0.659	S	S	*	*			trans	-46	126.9	173.6	-169.1	71.9	0	0	0	107.9	E208 T212 V213 R214	E208-L210 PolarHBondContact O-N 3.33Å; E208-L210 VanDerWaalsContact O-N 3.16Å; L210-T212 WeakPolarHBondContact CD2-OG1 3.4Å; L210-T212 WeakPolarHBondContact CG-OG1 3.35Å; L210-T212 PolarHBondContact O-N 3.41Å; L210-V213 HydrophobicContact CB-CG2 4.33Å; L210-V213 PolarHBondContact O-N 3.11Å; L210-R214 PolarHBondContact O-N 3.03Å
211	R	69.9	Low	68.3	Low	199 Å²	199	137.5 Å²	137.5	75%	0.751	67%	0.665	S	S	*	*	H	α-helix	trans	-52.8	-27.7	-170.4	-69.2	-175.3	-179.8	-177	-0.2	112.9	A209 H215	A209-R211 PolarHBondContact O-N 2.82Å; A209-R211 VanDerWaalsContact O-N 3.16Å; R211-H215 PolarHBondContact O-CD2 3.16Å
212	T	72.6	Confident	67.1	Low	97 Å²	97	141.8 Å²	141.8	60%	0.595	68%	0.679	S	S	*	*	H	α-helix	trans	-68.1	-36.6	175.2	47.1	0	0	0	0	114	L210	L210-T212 WeakPolarHBondContact CD2-OG1 3.4Å; L210-T212 WeakPolarHBondContact CG-OG1 3.35Å; L210-T212 PolarHBondContact O-N 3.41Å
213	V	66.2	Low	66.2	Low	69 Å²	69	137.9 Å²	137.9	42%	0.418	67%	0.672	S	S	.	*	H	α-helix	trans	-78.2	-25.8	178.3	-175.4	0	0	0	0	111.6	L210 H215 V216 L217	L210-V213 HydrophobicContact CB-CG2 4.33Å; L210-V213 PolarHBondContact O-N 3.11Å; V213-H215 PolarHBondContact O-N 3.34Å; V213-H215 VanDerWaalsContact O-N 3.15Å; V213-V216 PolarHBondContact O-N 2.94Å; V213-L217 HydrophobicContact CG1-CD1 3.95Å; V213-L217 HydrophobicContact CG1-CG 4.32Å; V213-L217 PolarHBondContact O-N 3.15Å
214	R	57.7	Low	65.6	Low	150 Å²	150	137.6 Å²	137.6	57%	0.566	67%	0.673	S	S	*	*	H	α-helix	trans	-58.6	-28.3	179.3	-125	-179.4	-171.4	-176.9	5.4	113.4	A209 L210 V218	A209-R214 HydrophobicContact CB-CG 4.31Å; L210-R214 PolarHBondContact O-N 3.03Å; R214-V218 WeakPolarHBondContact O-CG2 3.48Å
215	H	64.6	Low	65.4	Low	158 Å²	158	139.3 Å²	139.3	73%	0.731	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-18.5	175.9	-67.8	-72.1	0	0	0	113.9	R211 V213	R211-H215 PolarHBondContact O-CD2 3.16Å; V213-H215 PolarHBondContact O-N 3.34Å; V213-H215 VanDerWaalsContact O-N 3.15Å
216	V	69.2	Low	65.2	Low	110 Å²	110	136.1 Å²	136.1	67%	0.667	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-32	-178.5	-177.4	0	0	0	0	111.6	V213	V213-V216 PolarHBondContact O-N 2.94Å
217	L	61	Low	65.2	Low	130 Å²	130	134 Å²	134	68%	0.681	67%	0.667	S	S	*	*	S	Bend	trans	-83.6	-4.6	-176.5	-72.4	168.5	0	0	0	114.9	V213	V213-L217 HydrophobicContact CG1-CD1 3.95Å; V213-L217 HydrophobicContact CG1-CG 4.32Å; V213-L217 PolarHBondContact O-N 3.15Å
218	V	59.3	Low	65	Low	124 Å²	124	131.5 Å²	131.5	75%	0.752	65%	0.653	S	S	*	*			trans	-109.3	39.1	-179.6	-167.4	0	0	0	0	111.3	R214	R214-V218 WeakPolarHBondContact O-CG2 3.48Å
219	K	48.6	Very low	64.7	Low	258 Å²	258	133 Å²	133	100%	1.122	66%	0.663	S	S	*	*			trans	-110.1	0	162	-81.9	-172.2	175.7	-178.1	0	109.1

Retrieved 219 of 219 residues in 450.6 ms (Link to these results)

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