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Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase

Catalyzes the third of the four reactions of the long-chain fatty acids elongation cycle. This endoplasmic reticulum-bound enzymatic process, allows the addition of two carbons to the chain of long- and very long-chain fatty acids/VLCFAs per cycle. This enzyme catalyzes the dehydration of the 3-hydroxyacyl-CoA intermediate into trans-2,3-enoyl-CoA, within each cycle of fatty acid elongation. Thereby, it participates to the production of VLCFAs of different chain lengths that are involved in multiple biological processes as precursors of membrane lipids and lipid mediators.

AlphaFold DB , UniProt , Accession A0A077Z832, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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	56.9	Low	60	Low	116 Å²	116	98.5 Å²	98.5	57%	0.571	51%	0.506	S	S	*	.				0	-62.2	0	-71.4	-62.9	-90.4	0	0	112.8	R3 V4 F5 L87	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.17Å; M1-V4 WeakPolarHBondContact O-CA 3.24Å; M1-V4 WeakPolarHBondContact O-CB 3.41Å; M1-V4 PolarHBondContact O-N 3.43Å; M1-F5 PolarHBondContact O-N 3.14Å; M1-L87 HydrophobicContact CE-CD2 4.06Å
2	L	60.5	Low	60	Low	149 Å²	149	94 Å²	94	78%	0.78	49%	0.486	S	S	*	.	H	α-helix	trans	-52.8	-41.8	-176.9	-71.8	167.4	0	0	0	114.5	F5 W6	L2-F5 PolarHBondContact O-N 3.23Å; L2-W6 WeakPolarHBondContact O-CB 3.47Å; L2-W6 PolarHBondContact O-N 3.42Å
3	R	61.1	Low	60.6	Low	161 Å²	161	91.3 Å²	91.3	61%	0.608	48%	0.481	S	S	*	.	H	α-helix	trans	-64.9	-36.7	174.3	-71.8	-167.9	-176	179.3	0.9	113.7	M1 S7	M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.17Å; R3-S7 VanDerWaalsContact O-CB 3.26Å; R3-S7 WeakPolarHBondContact O-CB 3.48Å; R3-S7 PolarHBondContact O-N 3.39Å; R3-S7 PolarHBondContact O-OG 3.21Å
4	V	60.1	Low	61.2	Low	16 Å²	16	88.9 Å²	88.9	10%	0.097	47%	0.472	C	S	.	.	H	α-helix	trans	-69	-46.3	177.5	177.1	0	0	0	0	110.1	M1 W6 S7 V8 I17 V21	M1-V4 WeakPolarHBondContact O-CA 3.24Å; M1-V4 WeakPolarHBondContact O-CB 3.41Å; M1-V4 PolarHBondContact O-N 3.43Å; V4-W6 VanDerWaalsContact C-N 3.31Å; V4-W6 PolarHBondContact O-N 3.32Å; V4-S7 PolarHBondContact O-N 3.2Å; V4-V8 HydrophobicContact CG1-CG2 4.28Å; V4-V8 VanDerWaalsContact O-CG2 3.31Å; V4-V8 WeakPolarHBondContact O-CG2 3.49Å; V4-V8 PolarHBondContact O-N 3.38Å; V4-I17 HydrophobicContact CG1-CD1 4.45Å; V4-I17 HydrophobicContact CG1-CG2 3.72Å; V4-I17 HydrophobicContact CG2-CG2 4.17Å; V4-V21 HydrophobicContact CG2-CG1 3.32Å
5	F	62.7	Low	61.9	Low	140 Å²	140	89.3 Å²	89.3	61%	0.614	47%	0.469	S	S	*	.	H	α-helix	trans	-58.3	-46.6	176	-178.6	-104	0	0	0	110.9	M1 L2 V8 I9	M1-F5 PolarHBondContact O-N 3.14Å; L2-F5 PolarHBondContact O-N 3.23Å; F5-V8 PolarHBondContact O-N 3.25Å; F5-I9 HydrophobicContact CD1-CD1 3.62Å; F5-I9 HydrophobicContact CD2-CD1 4.32Å; F5-I9 HydrophobicContact CE1-CD1 3.19Å; F5-I9 HydrophobicContact CE2-CD1 3.96Å; F5-I9 HydrophobicContact CG-CD1 4.18Å; F5-I9 HydrophobicContact CZ-CD1 3.4Å; F5-I9 VanDerWaalsContact CZ-CD1 3.4Å; F5-I9 VanDerWaalsContact O-CG1 3.32Å; F5-I9 WeakPolarHBondContact O-CG1 3.27Å; F5-I9 PolarHBondContact O-N 2.89Å
6	W	57.5	Low	62.8	Low	174 Å²	174	89.6 Å²	89.6	66%	0.659	47%	0.471	S	S	*	.	H	α-helix	trans	-58.5	-50.8	172.6	-169.6	-108.1	0	0	0	111.2	L2 V4 V8 I9 S10	L2-W6 WeakPolarHBondContact O-CB 3.47Å; L2-W6 PolarHBondContact O-N 3.42Å; V4-W6 VanDerWaalsContact C-N 3.31Å; V4-W6 PolarHBondContact O-N 3.32Å; W6-V8 PolarHBondContact O-N 2.98Å; W6-I9 CarbonylContact O-C 3.59Å; W6-I9 WeakPolarHBondContact O-CB 3.5Å; W6-I9 PolarHBondContact O-N 3.49Å; W6-I9 VanDerWaalsContact O-N 3.11Å; W6-S10 WeakPolarHBondContact O-CB 3.5Å; W6-S10 PolarHBondContact O-N 3.44Å; W6-S10 PolarHBondContact O-OG 3.12Å
7	S	57.9	Low	63.7	Low	15 Å²	15	84.4 Å²	84.4	11%	0.105	44%	0.444	C	S	.	.	H	α-helix	trans	-58.5	-41.4	179.3	-68.3	0	0	0	0	113.5	R3 V4 S10 G11 V12	R3-S7 VanDerWaalsContact O-CB 3.26Å; R3-S7 WeakPolarHBondContact O-CB 3.48Å; R3-S7 PolarHBondContact O-N 3.39Å; R3-S7 PolarHBondContact O-OG 3.21Å; V4-S7 PolarHBondContact O-N 3.2Å; S7-S10 PolarHBondContact O-N 3.28Å; S7-G11 PolarHBondContact O-N 3.27Å; S7-V12 WeakPolarHBondContact O-CB 3.48Å; S7-V12 VanDerWaalsContact O-CG2 3.31Å; S7-V12 WeakPolarHBondContact O-CG2 3.32Å; S7-V12 PolarHBondContact O-N 3.14Å
8	V	59.9	Low	64.7	Low	76 Å²	76	79.8 Å²	79.8	46%	0.461	42%	0.42	S	S	.	.	H	α-helix	trans	-64.1	-43.3	175.9	172.4	0	0	0	0	110.5	V4 F5 W6 S10 G11 I17	V4-V8 HydrophobicContact CG1-CG2 4.28Å; V4-V8 VanDerWaalsContact O-CG2 3.31Å; V4-V8 WeakPolarHBondContact O-CG2 3.49Å; V4-V8 PolarHBondContact O-N 3.38Å; F5-V8 PolarHBondContact O-N 3.25Å; W6-V8 PolarHBondContact O-N 2.98Å; V8-S10 VanDerWaalsContact C-N 3.31Å; V8-S10 PolarHBondContact O-N 3.06Å; V8-G11 PolarHBondContact O-N 2.84Å; V8-I17 HydrophobicContact CG2-CD1 3.61Å
9	I	61.9	Low	65.7	Low	103 Å²	103	78.5 Å²	78.5	53%	0.528	43%	0.427	S	S	.	.	H	α-helix	trans	-64.7	-37.5	174.9	-70	170.7	0	0	0	111.3	F5 W6 G11	F5-I9 HydrophobicContact CD1-CD1 3.62Å; F5-I9 HydrophobicContact CD2-CD1 4.32Å; F5-I9 HydrophobicContact CE1-CD1 3.19Å; F5-I9 HydrophobicContact CE2-CD1 3.96Å; F5-I9 HydrophobicContact CG-CD1 4.18Å; F5-I9 HydrophobicContact CZ-CD1 3.4Å; F5-I9 VanDerWaalsContact CZ-CD1 3.4Å; F5-I9 VanDerWaalsContact O-CG1 3.32Å; F5-I9 WeakPolarHBondContact O-CG1 3.27Å; F5-I9 PolarHBondContact O-N 2.89Å; W6-I9 CarbonylContact O-C 3.59Å; W6-I9 WeakPolarHBondContact O-CB 3.5Å; W6-I9 PolarHBondContact O-N 3.49Å; W6-I9 VanDerWaalsContact O-N 3.11Å; I9-G11 PolarHBondContact O-N 3.15Å; I9-G11 VanDerWaalsContact O-N 3.15Å
10	S	62.5	Low	66.6	Low	69 Å²	69	77.8 Å²	77.8	48%	0.483	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	0.4	177.6	-52.4	0	0	0	0	113.8	W6 S7 V8	W6-S10 WeakPolarHBondContact O-CB 3.5Å; W6-S10 PolarHBondContact O-N 3.44Å; W6-S10 PolarHBondContact O-OG 3.12Å; S7-S10 PolarHBondContact O-N 3.28Å; V8-S10 VanDerWaalsContact C-N 3.31Å; V8-S10 PolarHBondContact O-N 3.06Å
11	G	59.2	Low	67.7	Low	64 Å²	64	74.5 Å²	74.5	66%	0.66	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	17.5	-178.9	0	0	0	0	0	114.5	S7 V8 I9 S13	S7-G11 PolarHBondContact O-N 3.27Å; V8-G11 PolarHBondContact O-N 2.84Å; I9-G11 PolarHBondContact O-N 3.15Å; I9-G11 VanDerWaalsContact O-N 3.15Å; G11-S13 PolarHBondContact O-N 3.33Å
12	V	59.8	Low	69.3	Low	45 Å²	45	69.2 Å²	69.2	27%	0.273	38%	0.38	S	S	.	.			trans	-63	123	171.3	178	0	0	0	0	108.3	S7 V14 N16 I20	S7-V12 WeakPolarHBondContact O-CB 3.48Å; S7-V12 VanDerWaalsContact O-CG2 3.31Å; S7-V12 WeakPolarHBondContact O-CG2 3.32Å; S7-V12 PolarHBondContact O-N 3.14Å; V12-V14 PolarHBondContact O-N 3.02Å; V12-N16 HydrophobicContact CG1-CB 3.99Å; V12-I20 HydrophobicContact CG1-CD1 4.02Å
13	S	68.3	Low	70.8	Confident	59 Å²	59	68.4 Å²	68.4	41%	0.413	38%	0.376	S	S	.	.			trans	-52.5	136.7	175.6	178.6	0	0	0	0	110.8	G11 H15 N16	G11-S13 PolarHBondContact O-N 3.33Å; S13-H15 PolarHBondContact O-N 3.47Å; S13-H15 PolarHBondContact OG-CD2 3.12Å; S13-H15 VanDerWaalsContact OG-CD2 3.25Å; S13-N16 PolarHBondContact O-N 3.49Å
14	V	68.8	Low	72.3	Confident	58 Å²	58	65.2 Å²	65.2	35%	0.352	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-50.6	-31	179.4	-171.8	0	0	0	0	111.5	V12 N16 I17 L76 F79	V12-V14 PolarHBondContact O-N 3.02Å; V14-N16 VanDerWaalsContact C-N 3.32Å; V14-N16 PolarHBondContact O-N 2.88Å; V14-I17 HydrophobicContact CG1-CD1 4.44Å; V14-I17 PolarHBondContact O-N 2.93Å; V14-L76 HydrophobicContact CG1-CD1 4.4Å; V14-F79 HydrophobicContact CG1-CB 3.58Å; V14-F79 HydrophobicContact CG1-CD1 3.38Å; V14-F79 HydrophobicContact CG1-CD2 3.5Å; V14-F79 HydrophobicContact CG1-CE1 3.81Å; V14-F79 HydrophobicContact CG1-CE2 3.89Å; V14-F79 HydrophobicContact CG1-CG 3.19Å; V14-F79 HydrophobicContact CG1-CZ 4.02Å
15	H	72	Confident	73.9	Confident	94 Å²	94	65 Å²	65	44%	0.435	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-65.4	-24.8	178	-59.3	-62.1	0	0	0	114.5	S13 T74	S13-H15 PolarHBondContact O-N 3.47Å; S13-H15 PolarHBondContact OG-CD2 3.12Å; S13-H15 VanDerWaalsContact OG-CD2 3.25Å; H15-T74 WeakPolarHBondContact CB-O 3.25Å; H15-T74 PolarHBondContact ND1-O 2.64Å; H15-T74 WeakPolarHBondContact O-CA 3.45Å
16	N	75.6	Confident	75.5	Confident	94 Å²	94	59.4 Å²	59.4	50%	0.503	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-99.5	-3.5	-177.1	-71.6	-14.4	0	0	0	113.6	V12 S13 V14 Y18 G19	V12-N16 HydrophobicContact CG1-CB 3.99Å; S13-N16 PolarHBondContact O-N 3.49Å; V14-N16 VanDerWaalsContact C-N 3.32Å; V14-N16 PolarHBondContact O-N 2.88Å; N16-Y18 VanDerWaalsContact C-N 3.32Å; N16-Y18 PolarHBondContact O-N 2.84Å; N16-G19 PolarHBondContact O-N 3.22Å
17	I	77.5	Confident	77.3	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-42.4	-175.5	-69.4	174.3	0	0	0	111.1	V4 V8 V14 G19 I20 V21 F79	V4-I17 HydrophobicContact CG1-CD1 4.45Å; V4-I17 HydrophobicContact CG1-CG2 3.72Å; V4-I17 HydrophobicContact CG2-CG2 4.17Å; V8-I17 HydrophobicContact CG2-CD1 3.61Å; V14-I17 HydrophobicContact CG1-CD1 4.44Å; V14-I17 PolarHBondContact O-N 2.93Å; I17-G19 VanDerWaalsContact C-N 3.3Å; I17-G19 PolarHBondContact O-N 3.44Å; I17-I20 WeakPolarHBondContact O-CB 3.4Å; I17-I20 PolarHBondContact O-N 3.01Å; I17-I20 VanDerWaalsContact O-N 3.08Å; I17-V21 WeakPolarHBondContact O-CG2 3.3Å; I17-V21 PolarHBondContact O-N 3.37Å; I17-F79 HydrophobicContact CB-CD2 4.41Å; I17-F79 HydrophobicContact CD1-CD2 3.49Å; I17-F79 VanDerWaalsContact CD1-CD2 3.49Å; I17-F79 HydrophobicContact CD1-CE2 3.45Å; I17-F79 VanDerWaalsContact CD1-CE2 3.45Å; I17-F79 HydrophobicContact CG2-CD2 4.37Å
18	Y	82.5	Confident	79.1	Confident	1 Å²	1	62.2 Å²	62.2	0%	0.004	35%	0.354	C	S	.	.	H	α-helix	trans	-59.6	-42.1	178.8	-168.8	-88.6	0	0	0	111.3	N16 I20 V21 A22 V25 A66 R73 A78 Y81	N16-Y18 VanDerWaalsContact C-N 3.32Å; N16-Y18 PolarHBondContact O-N 2.84Å; Y18-I20 PolarHBondContact O-N 3.31Å; Y18-I20 VanDerWaalsContact O-N 3.1Å; Y18-V21 CarbonylContact O-C 3.38Å; Y18-V21 PolarHBondContact O-N 2.79Å; Y18-A22 HydrophobicContact CD1-CB 3.87Å; Y18-A22 HydrophobicContact CE1-CB 3.57Å; Y18-A22 WeakPolarHBondContact O-CA 3.18Å; Y18-A22 WeakPolarHBondContact O-CB 3.32Å; Y18-A22 PolarHBondContact O-N 3.44Å; Y18-V25 HydrophobicContact CE2-CB 4.35Å; Y18-V25 HydrophobicContact CE2-CG1 4.12Å; Y18-V25 HydrophobicContact CE2-CG2 4.47Å; Y18-A66 HydrophobicContact CE1-CB 4.14Å; Y18-R73 WeakPolarHBondContact CB-O 3.46Å; Y18-R73 HydrophobicContact CD1-CB 3.69Å; Y18-R73 HydrophobicContact CD1-CG 3.49Å; Y18-R73 VanDerWaalsContact CD1-CG 3.49Å; Y18-R73 HydrophobicContact CE1-CB 4.35Å; Y18-R73 HydrophobicContact CE1-CG 3.63Å; Y18-R73 HydrophobicContact CG-CB 4.28Å; Y18-R73 HydrophobicContact CG-CG 4.41Å; Y18-A78 HydrophobicContact CD2-CB 4.06Å; Y18-A78 HydrophobicContact CG-CB 4.2Å; Y18-Y81 HydrophobicContact CD2-CE2 4.2Å; Y18-Y81 WeakPolarHBondContact CD2-OH 3.41Å; Y18-Y81 AromaticContact CE2-CE2 3.79Å; Y18-Y81 HydrophobicContact CE2-CE2 3.79Å; Y18-Y81 AromaticContact CE2-CZ 3.8Å; Y18-Y81 WeakPolarHBondContact CE2-OH 3.3Å
19	G	82.9	Confident	80.7	Confident	55 Å²	55	59.1 Å²	59.1	57%	0.567	34%	0.335	S	S	*	.	H	α-helix	trans	-57.5	-27.7	177.4	0	0	0	0	0	114.1	N16 I17	N16-G19 PolarHBondContact O-N 3.22Å; I17-G19 VanDerWaalsContact C-N 3.3Å; I17-G19 PolarHBondContact O-N 3.44Å
20	I	85.3	Confident	82.4	Confident	65 Å²	65	56.6 Å²	56.6	33%	0.333	32%	0.324	S	S	.	.	H	α-helix	trans	-82.3	-24.7	179	-60.5	171.3	0	0	0	112.2	V12 I17 Y18	V12-I20 HydrophobicContact CG1-CD1 4.02Å; I17-I20 WeakPolarHBondContact O-CB 3.4Å; I17-I20 PolarHBondContact O-N 3.01Å; I17-I20 VanDerWaalsContact O-N 3.08Å; Y18-I20 PolarHBondContact O-N 3.31Å; Y18-I20 VanDerWaalsContact O-N 3.1Å
21	V	89.7	Confident	83.9	Confident	8 Å²	8	57.3 Å²	57.3	5%	0.048	32%	0.321	C	S	.	.	H	α-helix	trans	-119.3	0.4	-174.6	-57.7	0	0	0	0	114.5	V4 I17 Y18 D23 R24 V25 T82	V4-V21 HydrophobicContact CG2-CG1 3.32Å; I17-V21 WeakPolarHBondContact O-CG2 3.3Å; I17-V21 PolarHBondContact O-N 3.37Å; Y18-V21 CarbonylContact O-C 3.38Å; Y18-V21 PolarHBondContact O-N 2.79Å; V21-D23 VanDerWaalsContact C-N 3.35Å; V21-D23 PolarHBondContact O-N 3.3Å; V21-R24 WeakPolarHBondContact O-CA 3.22Å; V21-R24 WeakPolarHBondContact O-CB 3.49Å; V21-R24 PolarHBondContact O-N 2.64Å; V21-V25 HydrophobicContact CB-CG2 4.43Å; V21-V25 HydrophobicContact CG2-CG2 3.95Å; V21-V25 PolarHBondContact O-N 2.94Å; V21-T82 HydrophobicContact CG2-CG2 3.79Å
22	A	90.6	Very high	85.6	Confident	6 Å²	6	54.3 Å²	54.3	5%	0.05	29%	0.29	C	S	.	.	H	α-helix	trans	-49	-55.2	-175.9	0	0	0	0	0	111.1	Y18 R24 V25 E26	Y18-A22 HydrophobicContact CD1-CB 3.87Å; Y18-A22 HydrophobicContact CE1-CB 3.57Å; Y18-A22 WeakPolarHBondContact O-CA 3.18Å; Y18-A22 WeakPolarHBondContact O-CB 3.32Å; Y18-A22 PolarHBondContact O-N 3.44Å; A22-R24 PolarHBondContact O-N 3.04Å; A22-R24 VanDerWaalsContact O-N 3.14Å; A22-V25 PolarHBondContact O-N 3.43Å; A22-E26 WeakPolarHBondContact O-CB 3.47Å; A22-E26 WeakPolarHBondContact O-CG 3.03Å; A22-E26 PolarHBondContact O-N 2.9Å
23	D	91.9	Very high	87.3	Confident	131 Å²	131	55.8 Å²	55.8	70%	0.701	30%	0.295	S	S	*	.	H	α-helix	trans	-55.7	-37.7	179.9	-50.4	-19.7	0	0	0	112.6	V21 F27	V21-D23 VanDerWaalsContact C-N 3.35Å; V21-D23 PolarHBondContact O-N 3.3Å; D23-F27 WeakPolarHBondContact O-CB 3.43Å; D23-F27 PolarHBondContact O-N 2.95Å
24	R	92.5	Very high	88.5	Confident	95 Å²	95	56.4 Å²	56.4	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-72.7	-43.4	178.1	-60.7	-172.9	-176.6	98.9	6.6	111.1	V21 A22 F27 F28	V21-R24 WeakPolarHBondContact O-CA 3.22Å; V21-R24 WeakPolarHBondContact O-CB 3.49Å; V21-R24 PolarHBondContact O-N 2.64Å; A22-R24 PolarHBondContact O-N 3.04Å; A22-R24 VanDerWaalsContact O-N 3.14Å; R24-F27 PolarHBondContact O-N 3.16Å; R24-F28 HydrophobicContact CB-CD2 4.32Å; R24-F28 HydrophobicContact CB-CE2 4.48Å; R24-F28 WeakPolarHBondContact O-CB 3.44Å; R24-F28 WeakPolarHBondContact O-CD2 3.37Å; R24-F28 PolarHBondContact O-N 3.4Å
25	V	93.7	Very high	89.6	Confident	12 Å²	12	54 Å²	54	7%	0.073	28%	0.278	C	S	.	.	H	α-helix	trans	-62	-49.6	178.1	173.9	0	0	0	0	109.2	Y18 V21 A22 F27 F28 Q29 V62 T82 W85	Y18-V25 HydrophobicContact CE2-CB 4.35Å; Y18-V25 HydrophobicContact CE2-CG1 4.12Å; Y18-V25 HydrophobicContact CE2-CG2 4.47Å; V21-V25 HydrophobicContact CB-CG2 4.43Å; V21-V25 HydrophobicContact CG2-CG2 3.95Å; V21-V25 PolarHBondContact O-N 2.94Å; A22-V25 PolarHBondContact O-N 3.43Å; V25-F27 PolarHBondContact O-N 3.33Å; V25-F28 PolarHBondContact O-N 2.92Å; V25-Q29 HydrophobicContact CG1-CG 3.98Å; V25-Q29 VanDerWaalsContact O-CB 3.23Å; V25-Q29 WeakPolarHBondContact O-CB 3.23Å; V25-Q29 WeakPolarHBondContact O-CG 3.33Å; V25-Q29 PolarHBondContact O-N 3.01Å; V25-V62 HydrophobicContact CG1-CG2 4.03Å; V25-T82 HydrophobicContact CG2-CG2 4.09Å; V25-W85 HydrophobicContact CG1-CE3 4.25Å; V25-W85 HydrophobicContact CG1-CZ3 4.04Å
26	E	95	Very high	90.6	Very high	22 Å²	22	50.4 Å²	50.4	10%	0.103	26%	0.264	C	S	.	.	H	α-helix	trans	-56.1	-49.1	176.5	-73.8	179.4	-171.1	0	0	111.8	A22 T30 V62 W63 H67	A22-E26 WeakPolarHBondContact O-CB 3.47Å; A22-E26 WeakPolarHBondContact O-CG 3.03Å; A22-E26 PolarHBondContact O-N 2.9Å; E26-T30 VanDerWaalsContact O-CB 3.3Å; E26-T30 WeakPolarHBondContact O-CB 3.12Å; E26-T30 PolarHBondContact O-N 3.17Å; E26-T30 PolarHBondContact O-OG1 2.86Å; E26-V62 HydrophobicContact CB-CG1 4.22Å; E26-V62 HydrophobicContact CG-CG1 3.56Å; E26-W63 HydrophobicContact CB-CH2 4.07Å; E26-W63 HydrophobicContact CB-CZ2 4Å; E26-W63 HydrophobicContact CG-CH2 4.33Å; E26-W63 HydrophobicContact CG-CZ2 4.44Å; E26-H67 IonicContact OE1-CE1 2.9Å; E26-H67 IonicContact OE1-CG 3.55Å; E26-H67 IonicContact OE1-ND1 3.64Å; E26-H67 PolarHBondContact OE1-ND1 2.84Å; E26-H67 IonicContact OE2-CE1 3.94Å; E26-H67 IonicContact OE2-ND1 3.68Å; E26-H67 PolarHBondContact OE2-ND1 3.25Å
27	F	95.7	Very high	91.4	Very high	121 Å²	121	49.6 Å²	49.6	53%	0.531	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-54.4	178.2	179.6	-99.4	0	0	0	112.6	D23 R24 V25 T30 M31	D23-F27 WeakPolarHBondContact O-CB 3.43Å; D23-F27 PolarHBondContact O-N 2.95Å; R24-F27 PolarHBondContact O-N 3.16Å; V25-F27 PolarHBondContact O-N 3.33Å; F27-T30 PolarHBondContact O-N 3.35Å; F27-M31 HydrophobicContact CD1-CG 4.38Å; F27-M31 HydrophobicContact CE1-CG 3.99Å; F27-M31 HydrophobicContact CE2-CG 4.24Å; F27-M31 HydrophobicContact CZ-CG 3.92Å; F27-M31 HydrophobicContact CZ-SD 4.45Å; F27-M31 WeakPolarHBondContact O-CG 3.31Å; F27-M31 PolarHBondContact O-N 3.3Å
28	F	94.9	Very high	92	Very high	126 Å²	126	53.2 Å²	53.2	55%	0.553	28%	0.275	S	S	*	.	H	α-helix	trans	-69.6	-36.1	-175.4	-77.4	-65.3	0	0	0	112.8	R24 V25 T30 M31 A32	R24-F28 HydrophobicContact CB-CD2 4.32Å; R24-F28 HydrophobicContact CB-CE2 4.48Å; R24-F28 WeakPolarHBondContact O-CB 3.44Å; R24-F28 WeakPolarHBondContact O-CD2 3.37Å; R24-F28 PolarHBondContact O-N 3.4Å; V25-F28 PolarHBondContact O-N 2.92Å; F28-T30 VanDerWaalsContact C-N 3.3Å; F28-M31 PolarHBondContact O-N 3.02Å; F28-A32 PolarHBondContact O-N 3.33Å
29	Q	95.2	Very high	92.3	Very high	11 Å²	11	53.5 Å²	53.5	5%	0.051	28%	0.277	C	S	.	.	H	α-helix	trans	-67.8	-34.3	175.3	-65.4	-56.6	-40.2	0	0	111.3	V25 A32 R58 L59 V62 W85	V25-Q29 HydrophobicContact CG1-CG 3.98Å; V25-Q29 VanDerWaalsContact O-CB 3.23Å; V25-Q29 WeakPolarHBondContact O-CB 3.23Å; V25-Q29 WeakPolarHBondContact O-CG 3.33Å; V25-Q29 PolarHBondContact O-N 3.01Å; Q29-A32 VanDerWaalsContact O-CB 3.29Å; Q29-A32 WeakPolarHBondContact O-CB 3.46Å; Q29-A32 PolarHBondContact O-N 3.29Å; Q29-R58 VanDerWaalsContact OE1-CZ 3.22Å; Q29-R58 VanDerWaalsContact OE1-NE 3.17Å; Q29-L59 HydrophobicContact CB-CD2 4.35Å; Q29-L59 WeakPolarHBondContact O-CD2 3.34Å; Q29-V62 HydrophobicContact CB-CG2 4.05Å; Q29-V62 HydrophobicContact CG-CG2 3.9Å; Q29-W85 HydrophobicContact CG-CE3 4.03Å; Q29-W85 HydrophobicContact CG-CZ3 4.06Å
30	T	96.6	Very high	92.6	Very high	50 Å²	50	54.5 Å²	54.5	31%	0.307	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-43.5	172.1	-55.7	0	0	0	0	111.6	E26 F27 F28 A32 I33 W63	E26-T30 VanDerWaalsContact O-CB 3.3Å; E26-T30 WeakPolarHBondContact O-CB 3.12Å; E26-T30 PolarHBondContact O-N 3.17Å; E26-T30 PolarHBondContact O-OG1 2.86Å; F27-T30 PolarHBondContact O-N 3.35Å; F28-T30 VanDerWaalsContact C-N 3.3Å; T30-A32 PolarHBondContact O-N 2.89Å; T30-I33 HydrophobicContact CG2-CD1 4.38Å; T30-I33 WeakPolarHBondContact O-CB 3.26Å; T30-I33 WeakPolarHBondContact O-CD1 3.49Å; T30-I33 VanDerWaalsContact O-CG1 3.22Å; T30-I33 WeakPolarHBondContact O-CG1 3.15Å; T30-I33 PolarHBondContact O-N 3.39Å; T30-I33 VanDerWaalsContact O-N 3.09Å; T30-W63 WeakPolarHBondContact OG1-CZ2 3.23Å; T30-W63 PolarHBondContact OG1-NE1 3.48Å; T30-W63 VanDerWaalsContact OG1-NE1 3.08Å
31	M	95.3	Very high	92.9	Very high	85 Å²	85	57.4 Å²	57.4	42%	0.419	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-21.3	175.6	-71.3	-64.6	-74.9	0	0	113.2	F27 F28 I33 L34	F27-M31 HydrophobicContact CD1-CG 4.38Å; F27-M31 HydrophobicContact CE1-CG 3.99Å; F27-M31 HydrophobicContact CE2-CG 4.24Å; F27-M31 HydrophobicContact CZ-CG 3.92Å; F27-M31 HydrophobicContact CZ-SD 4.45Å; F27-M31 WeakPolarHBondContact O-CG 3.31Å; F27-M31 PolarHBondContact O-N 3.3Å; F28-M31 PolarHBondContact O-N 3.02Å; M31-I33 PolarHBondContact O-N 3.17Å; M31-I33 VanDerWaalsContact O-N 3.12Å; M31-L34 HydrophobicContact CE-CD1 3.4Å; M31-L34 VanDerWaalsContact O-CB 3.3Å; M31-L34 WeakPolarHBondContact O-CB 3.27Å; M31-L34 PolarHBondContact O-N 2.96Å; M31-L34 HydrophobicContact SD-CD1 4.11Å
32	A	94.3	Very high	92.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.008	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.8	174.1	0	0	0	0	0	113.1	F28 Q29 T30 L34 E35 V55	F28-A32 PolarHBondContact O-N 3.33Å; Q29-A32 VanDerWaalsContact O-CB 3.29Å; Q29-A32 WeakPolarHBondContact O-CB 3.46Å; Q29-A32 PolarHBondContact O-N 3.29Å; T30-A32 PolarHBondContact O-N 2.89Å; A32-L34 PolarHBondContact O-N 2.87Å; A32-E35 WeakPolarHBondContact O-CB 3.01Å; A32-E35 PolarHBondContact O-N 3.2Å; A32-V55 HydrophobicContact CB-CG1 4.21Å; A32-V55 HydrophobicContact CB-CG2 3.99Å
33	I	95.5	Very high	92.1	Very high	75 Å²	75	62.8 Å²	62.8	39%	0.385	33%	0.334	S	S	.	.	H	α-helix	trans	-58.3	-35.7	169	-63.8	170.2	0	0	0	111	T30 M31 E35 V36 I37 V55 L59	T30-I33 HydrophobicContact CG2-CD1 4.38Å; T30-I33 WeakPolarHBondContact O-CB 3.26Å; T30-I33 WeakPolarHBondContact O-CD1 3.49Å; T30-I33 VanDerWaalsContact O-CG1 3.22Å; T30-I33 WeakPolarHBondContact O-CG1 3.15Å; T30-I33 PolarHBondContact O-N 3.39Å; T30-I33 VanDerWaalsContact O-N 3.09Å; M31-I33 PolarHBondContact O-N 3.17Å; M31-I33 VanDerWaalsContact O-N 3.12Å; I33-E35 PolarHBondContact O-N 2.97Å; I33-V36 WeakPolarHBondContact O-CB 3.39Å; I33-V36 PolarHBondContact O-N 3.45Å; I33-I37 HydrophobicContact CG2-CD1 4.47Å; I33-I37 PolarHBondContact O-N 3.44Å; I33-V55 HydrophobicContact CG1-CG1 4.2Å; I33-L59 HydrophobicContact CD1-CD1 3.86Å; I33-L59 HydrophobicContact CG1-CD1 3.74Å
34	L	93.4	Very high	91.5	Very high	73 Å²	73	57.3 Å²	57.3	38%	0.382	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-29.9	175.8	-61.4	-179	0	0	0	111.8	M31 A32 V36 I37 H38	M31-L34 HydrophobicContact CE-CD1 3.4Å; M31-L34 VanDerWaalsContact O-CB 3.3Å; M31-L34 WeakPolarHBondContact O-CB 3.27Å; M31-L34 PolarHBondContact O-N 2.96Å; M31-L34 HydrophobicContact SD-CD1 4.11Å; A32-L34 PolarHBondContact O-N 2.87Å; L34-V36 VanDerWaalsContact C-N 3.28Å; L34-V36 PolarHBondContact O-N 3.5Å; L34-I37 HydrophobicContact CD2-CD1 4.17Å; L34-I37 PolarHBondContact O-N 2.82Å; L34-H38 WeakPolarHBondContact O-CB 3.17Å; L34-H38 PolarHBondContact O-N 3.14Å; L34-H38 PolarHBondContact O-ND1 3.23Å
35	E	90.7	Very high	90.7	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.028	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-40.8	173.7	-166.4	-171.5	173.8	0	0	110.8	A32 I33 I37 H38 C39 T51 R92 Y93 Y96	A32-E35 WeakPolarHBondContact O-CB 3.01Å; A32-E35 PolarHBondContact O-N 3.2Å; I33-E35 PolarHBondContact O-N 2.97Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 2.9Å; E35-H38 PolarHBondContact O-N 3.49Å; E35-C39 WeakPolarHBondContact O-CB 3.37Å; E35-C39 PolarHBondContact O-N 3.38Å; E35-C39 PolarHBondContact O-SG 3.34Å; E35-T51 HydrophobicContact CB-CG2 4.33Å; E35-T51 HydrophobicContact CG-CG2 3.87Å; E35-R92 IonicContact OE1-CZ 2.64Å; E35-R92 IonicContact OE1-NE 3.65Å; E35-R92 IonicContact OE1-NH2 2.88Å; E35-R92 PolarHBondContact OE1-NH2 3.43Å; E35-R92 IonicContact OE2-CZ 2.66Å; E35-R92 IonicContact OE2-NH2 3.21Å; E35-R92 PolarHBondContact OE2-NH2 3.19Å; E35-Y93 HydrophobicContact CG-CE1 4.5Å; E35-Y96 HydrophobicContact CG-CE2 4.42Å; E35-Y96 WeakPolarHBondContact OE1-CE2 3.23Å; E35-Y96 PolarHBondContact OE1-OH 2.98Å; E35-Y96 VanDerWaalsContact OE1-OH 3.05Å
36	V	92.9	Very high	90	Very high	20 Å²	20	64.6 Å²	64.6	12%	0.121	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-42.3	177.9	-174.7	0	0	0	0	110.6	I33 L34 C39 S40 T48 T51 L52 V55	I33-V36 WeakPolarHBondContact O-CB 3.39Å; I33-V36 PolarHBondContact O-N 3.45Å; L34-V36 VanDerWaalsContact C-N 3.28Å; L34-V36 PolarHBondContact O-N 3.5Å; V36-C39 PolarHBondContact O-N 3.19Å; V36-S40 PolarHBondContact O-N 3.18Å; V36-T48 HydrophobicContact CG1-CG2 4.2Å; V36-T51 HydrophobicContact CG2-CG2 4.21Å; V36-L52 HydrophobicContact CG1-CB 4.07Å; V36-L52 HydrophobicContact CG1-CD1 3.97Å; V36-L52 HydrophobicContact CG2-CD1 4.49Å; V36-V55 HydrophobicContact CG2-CB 4.07Å; V36-V55 HydrophobicContact CG2-CG1 4.35Å; V36-V55 HydrophobicContact CG2-CG2 4.01Å
37	I	93.1	Very high	89.5	Confident	77 Å²	77	65.9 Å²	65.9	40%	0.395	35%	0.345	S	S	.	.	H	α-helix	trans	-64.6	-45.6	176.7	-61	173.9	0	0	0	110.6	I33 L34 E35 C39 S40 L41	I33-I37 HydrophobicContact CG2-CD1 4.47Å; I33-I37 PolarHBondContact O-N 3.44Å; L34-I37 HydrophobicContact CD2-CD1 4.17Å; L34-I37 PolarHBondContact O-N 2.82Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 2.9Å; I37-C39 VanDerWaalsContact C-N 3.3Å; I37-C39 PolarHBondContact O-N 3.32Å; I37-S40 PolarHBondContact O-N 3.36Å; I37-S40 PolarHBondContact O-OG 3.5Å; I37-L41 HydrophobicContact CG2-CD1 3.91Å; I37-L41 HydrophobicContact CG2-CG 4.39Å; I37-L41 WeakPolarHBondContact O-CG 3.48Å; I37-L41 PolarHBondContact O-N 3.16Å
38	H	90.3	Very high	89.1	Confident	78 Å²	78	62.5 Å²	62.5	36%	0.361	34%	0.335	S	S	.	.	H	α-helix	trans	-65.3	-33.8	177.6	-64.5	141.3	0	0	0	112.6	L34 E35 G42 V43 V44	L34-H38 WeakPolarHBondContact O-CB 3.17Å; L34-H38 PolarHBondContact O-N 3.14Å; L34-H38 PolarHBondContact O-ND1 3.23Å; E35-H38 PolarHBondContact O-N 3.49Å; H38-G42 PolarHBondContact O-N 2.89Å; H38-V43 HydrophobicContact CB-CB 4.16Å; H38-V43 PolarHBondContact O-N 2.89Å; H38-V44 HydrophobicContact CB-CB 4.47Å; H38-V44 HydrophobicContact CB-CG2 3.89Å; H38-V44 PolarHBondContact O-N 3.17Å; H38-V44 VanDerWaalsContact O-N 3.17Å
39	C	88.4	Confident	88.9	Confident	7 Å²	7	62.2 Å²	62.2	5%	0.047	34%	0.338	C	S	.	.	H	α-helix	trans	-66.8	-42.3	172.3	-66.1	0	0	0	0	111.6	E35 V36 I37 G42 T48	E35-C39 WeakPolarHBondContact O-CB 3.37Å; E35-C39 PolarHBondContact O-N 3.38Å; E35-C39 PolarHBondContact O-SG 3.34Å; V36-C39 PolarHBondContact O-N 3.19Å; I37-C39 VanDerWaalsContact C-N 3.3Å; I37-C39 PolarHBondContact O-N 3.32Å; C39-G42 PolarHBondContact O-N 3.45Å; C39-T48 HydrophobicContact CB-CG2 4.46Å; C39-T48 PolarHBondContact O-OG1 3.28Å
40	S	89.9	Confident	88.6	Confident	75 Å²	75	63 Å²	63	52%	0.524	34%	0.344	S	S	.	.	H	α-helix	trans	-68.4	-34.9	-179.4	70	0	0	0	0	112.9	V36 I37 G42	V36-S40 PolarHBondContact O-N 3.18Å; I37-S40 PolarHBondContact O-N 3.36Å; I37-S40 PolarHBondContact O-OG 3.5Å; S40-G42 PolarHBondContact O-N 3.36Å
41	L	91	Very high	88.3	Confident	126 Å²	126	60.7 Å²	60.7	66%	0.66	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.7	174.7	-63.5	177.2	0	0	0	113.4	I37 V43	I37-L41 HydrophobicContact CG2-CD1 3.91Å; I37-L41 HydrophobicContact CG2-CG 4.39Å; I37-L41 WeakPolarHBondContact O-CG 3.48Å; I37-L41 PolarHBondContact O-N 3.16Å; L41-V43 HydrophobicContact CB-CG2 4.11Å; L41-V43 PolarHBondContact O-N 3Å
42	G	81.6	Confident	88.2	Confident	55 Å²	55	60.7 Å²	60.7	57%	0.567	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	6.7	-179.6	0	0	0	0	0	115	H38 C39 S40 V44	H38-G42 PolarHBondContact O-N 2.89Å; C39-G42 PolarHBondContact O-N 3.45Å; S40-G42 PolarHBondContact O-N 3.36Å; G42-V44 VanDerWaalsContact C-N 3.25Å; G42-V44 PolarHBondContact O-N 3.3Å
43	V	82	Confident	88.2	Confident	73 Å²	73	63.3 Å²	63.3	44%	0.442	34%	0.344	S	S	.	.	S	Bend	trans	-62.9	-36.7	174.7	178.9	0	0	0	0	110.5	H38 L41 Q100	H38-V43 HydrophobicContact CB-CB 4.16Å; H38-V43 PolarHBondContact O-N 2.89Å; L41-V43 HydrophobicContact CB-CG2 4.11Å; L41-V43 PolarHBondContact O-N 3Å; V43-Q100 PolarHBondContact O-NE2 3.36Å
44	V	78.9	Confident	88.1	Confident	15 Å²	15	61.1 Å²	61.1	9%	0.091	33%	0.332	C	S	.	.	S	Bend	trans	-114.6	129	177	178	0	0	0	0	109.9	H38 G42 A46 Y96	H38-V44 HydrophobicContact CB-CB 4.47Å; H38-V44 HydrophobicContact CB-CG2 3.89Å; H38-V44 PolarHBondContact O-N 3.17Å; H38-V44 VanDerWaalsContact O-N 3.17Å; G42-V44 VanDerWaalsContact C-N 3.25Å; G42-V44 PolarHBondContact O-N 3.3Å; V44-A46 HydrophobicContact CG1-CB 4.21Å; V44-A46 PolarHBondContact O-N 3.09Å; V44-Y96 HydrophobicContact CG1-CD1 3.55Å; V44-Y96 HydrophobicContact CG1-CD2 4.2Å; V44-Y96 HydrophobicContact CG1-CE1 3.51Å; V44-Y96 HydrophobicContact CG1-CE2 4.19Å; V44-Y96 HydrophobicContact CG1-CG 3.89Å
45	R	76.1	Confident	88.1	Confident	243 Å²	243	57.8 Å²	57.8	92%	0.917	32%	0.315	S	S	*	.			trans	-78.2	66.9	177.9	-62.5	-178.5	-176.2	155.5	2.2	111.6
46	A	78.9	Confident	88.3	Confident	17 Å²	17	60 Å²	60	14%	0.14	33%	0.334	C	S	.	.	S	Bend	trans	-134.7	149.6	172	0	0	0	0	0	110.5	V44 T48	V44-A46 HydrophobicContact CG1-CB 4.21Å; V44-A46 PolarHBondContact O-N 3.09Å; A46-T48 PolarHBondContact O-N 3.36Å
47	P	84.8	Confident	88.4	Confident	49 Å²	49	60 Å²	60	32%	0.318	34%	0.338	S	S	.	.			trans	-66.6	123.5	177.6	-6.7	18.8	0	0	0	110.4	L49 T50 T51 Y179	P47-L49 VanDerWaalsContact C-N 3.34Å; P47-L49 PolarHBondContact O-N 3.39Å; P47-T50 HydrophobicContact CB-CG2 4.35Å; P47-T50 WeakPolarHBondContact CB-OG1 2.97Å; P47-T50 PolarHBondContact O-N 3.47Å; P47-T50 PolarHBondContact O-OG1 3.48Å; P47-T51 PolarHBondContact O-N 2.98Å; P47-T51 PolarHBondContact O-OG1 3.05Å; P47-Y179 HydrophobicContact CG-CE1 4.24Å; P47-Y179 WeakPolarHBondContact CG-OH 3.41Å
48	T	88.4	Confident	88.5	Confident	51 Å²	51	57 Å²	57	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-58.4	-44.7	-176.5	-48	0	0	0	0	112	V36 C39 A46 T50 T51 L52	V36-T48 HydrophobicContact CG1-CG2 4.2Å; C39-T48 HydrophobicContact CB-CG2 4.46Å; C39-T48 PolarHBondContact O-OG1 3.28Å; A46-T48 PolarHBondContact O-N 3.36Å; T48-T50 PolarHBondContact O-N 3.22Å; T48-T51 PolarHBondContact O-N 3.3Å; T48-L52 WeakPolarHBondContact O-CB 3.36Å; T48-L52 PolarHBondContact O-N 3.32Å
49	L	90.4	Very high	88.8	Confident	120 Å²	120	54.7 Å²	54.7	63%	0.628	31%	0.312	S	S	*	.	H	α-helix	trans	-64.1	-43	-177.5	-178.9	61.3	0	0	0	112.9	P47 T51 L52 I53	P47-L49 VanDerWaalsContact C-N 3.34Å; P47-L49 PolarHBondContact O-N 3.39Å; L49-T51 VanDerWaalsContact C-N 3.31Å; L49-T51 PolarHBondContact O-N 3.12Å; L49-L52 PolarHBondContact O-N 2.66Å; L49-I53 HydrophobicContact CD1-CD1 4.1Å; L49-I53 HydrophobicContact CD1-CG1 4.36Å; L49-I53 HydrophobicContact CG-CD1 4.05Å; L49-I53 VanDerWaalsContact O-CG1 3.31Å; L49-I53 WeakPolarHBondContact O-CG1 3.36Å; L49-I53 PolarHBondContact O-N 3.08Å
50	T	88.6	Confident	89.2	Confident	26 Å²	26	56.1 Å²	56.1	16%	0.16	32%	0.318	C	S	.	.	H	α-helix	trans	-66.6	-38.3	178.9	54.2	0	0	0	0	111.2	P47 T48 I53 Q54 L176 Y179	P47-T50 HydrophobicContact CB-CG2 4.35Å; P47-T50 WeakPolarHBondContact CB-OG1 2.97Å; P47-T50 PolarHBondContact O-N 3.47Å; P47-T50 PolarHBondContact O-OG1 3.48Å; T48-T50 PolarHBondContact O-N 3.22Å; T50-I53 PolarHBondContact O-N 2.85Å; T50-Q54 WeakPolarHBondContact O-CG 3.3Å; T50-Q54 PolarHBondContact O-N 2.84Å; T50-Q54 VanDerWaalsContact O-N 3.13Å; T50-L176 HydrophobicContact CG2-CD2 3.95Å; T50-Y179 HydrophobicContact CG2-CD1 4.33Å; T50-Y179 HydrophobicContact CG2-CE1 4.1Å
51	T	90.4	Very high	89.5	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-42.6	178	-50.9	0	0	0	0	110.7	E35 V36 P47 T48 L49 I53 Q54 V55	E35-T51 HydrophobicContact CB-CG2 4.33Å; E35-T51 HydrophobicContact CG-CG2 3.87Å; V36-T51 HydrophobicContact CG2-CG2 4.21Å; P47-T51 PolarHBondContact O-N 2.98Å; P47-T51 PolarHBondContact O-OG1 3.05Å; T48-T51 PolarHBondContact O-N 3.3Å; L49-T51 VanDerWaalsContact C-N 3.31Å; L49-T51 PolarHBondContact O-N 3.12Å; T51-I53 PolarHBondContact O-N 2.96Å; T51-Q54 PolarHBondContact O-N 3.33Å; T51-V55 HydrophobicContact CG2-CG2 4.43Å; T51-V55 WeakPolarHBondContact O-CB 3.21Å; T51-V55 WeakPolarHBondContact O-CG2 3.35Å; T51-V55 PolarHBondContact O-N 3.47Å
52	L	93.4	Very high	89.7	Confident	85 Å²	85	46.6 Å²	46.6	45%	0.445	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-49.5	174.8	177.8	68	0	0	0	111.5	V36 T48 L49 Q54 V55 A56	V36-L52 HydrophobicContact CG1-CB 4.07Å; V36-L52 HydrophobicContact CG1-CD1 3.97Å; V36-L52 HydrophobicContact CG2-CD1 4.49Å; T48-L52 WeakPolarHBondContact O-CB 3.36Å; T48-L52 PolarHBondContact O-N 3.32Å; L49-L52 PolarHBondContact O-N 2.66Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 3.27Å; L52-V55 PolarHBondContact O-N 3.43Å; L52-A56 WeakPolarHBondContact O-CB 3.47Å; L52-A56 PolarHBondContact O-N 3.01Å
53	I	93.3	Very high	90.4	Very high	57 Å²	57	48.6 Å²	48.6	29%	0.292	25%	0.252	S	S	.	.	H	α-helix	trans	-61.2	-42.7	-179.5	-67.6	166	0	0	0	111	L49 T50 T51 G57 L172 L176	L49-I53 HydrophobicContact CD1-CD1 4.1Å; L49-I53 HydrophobicContact CD1-CG1 4.36Å; L49-I53 HydrophobicContact CG-CD1 4.05Å; L49-I53 VanDerWaalsContact O-CG1 3.31Å; L49-I53 WeakPolarHBondContact O-CG1 3.36Å; L49-I53 PolarHBondContact O-N 3.08Å; T50-I53 PolarHBondContact O-N 2.85Å; T51-I53 PolarHBondContact O-N 2.96Å; I53-G57 PolarHBondContact O-N 2.88Å; I53-L172 HydrophobicContact CG2-CD2 3.79Å; I53-L176 HydrophobicContact CG2-CD1 3.94Å
54	Q	92.8	Very high	90.8	Very high	29 Å²	29	46.9 Å²	46.9	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-44.5	178.1	-73.3	174.9	-2.5	0	0	112.1	T50 T51 L52 R58 L176	T50-Q54 WeakPolarHBondContact O-CG 3.3Å; T50-Q54 PolarHBondContact O-N 2.84Å; T50-Q54 VanDerWaalsContact O-N 3.13Å; T51-Q54 PolarHBondContact O-N 3.33Å; L52-Q54 VanDerWaalsContact C-N 3.32Å; L52-Q54 PolarHBondContact O-N 3.27Å; Q54-R58 WeakPolarHBondContact O-CG 3.33Å; Q54-R58 PolarHBondContact O-N 3.23Å; Q54-L176 HydrophobicContact CG-CD1 4.5Å
55	V	95.1	Very high	91.5	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-44.3	178.5	172.5	0	0	0	0	110.6	A32 I33 V36 T51 L52 G57 R58 L59	A32-V55 HydrophobicContact CB-CG1 4.21Å; A32-V55 HydrophobicContact CB-CG2 3.99Å; I33-V55 HydrophobicContact CG1-CG1 4.2Å; V36-V55 HydrophobicContact CG2-CB 4.07Å; V36-V55 HydrophobicContact CG2-CG1 4.35Å; V36-V55 HydrophobicContact CG2-CG2 4.01Å; T51-V55 HydrophobicContact CG2-CG2 4.43Å; T51-V55 WeakPolarHBondContact O-CB 3.21Å; T51-V55 WeakPolarHBondContact O-CG2 3.35Å; T51-V55 PolarHBondContact O-N 3.47Å; L52-V55 PolarHBondContact O-N 3.43Å; V55-G57 PolarHBondContact O-N 3.01Å; V55-R58 PolarHBondContact O-N 3.26Å; V55-L59 HydrophobicContact CG1-CD1 3.74Å; V55-L59 HydrophobicContact CG1-CG 4.21Å; V55-L59 WeakPolarHBondContact O-CB 3.07Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.07Å; V55-L59 PolarHBondContact O-N 3.09Å
56	A	94.7	Very high	92.4	Very high	51 Å²	51	34.6 Å²	34.6	42%	0.421	20%	0.195	S	C	.	.	H	α-helix	trans	-60.8	-43.8	177.6	0	0	0	0	0	112.4	L52 R58 L59 F60	L52-A56 WeakPolarHBondContact O-CB 3.47Å; L52-A56 PolarHBondContact O-N 3.01Å; A56-R58 PolarHBondContact O-N 3.33Å; A56-L59 PolarHBondContact O-N 2.88Å; A56-F60 WeakPolarHBondContact O-CB 3.46Å; A56-F60 PolarHBondContact O-N 3.37Å
57	G	94.4	Very high	93	Very high	21 Å²	21	37.7 Å²	37.7	22%	0.216	21%	0.206	C	C	.	.	H	α-helix	trans	-59.8	-44.3	176.9	0	0	0	0	0	112.6	I53 V55 F60 V61	I53-G57 PolarHBondContact O-N 2.88Å; V55-G57 PolarHBondContact O-N 3.01Å; G57-F60 WeakPolarHBondContact O-CB 3.4Å; G57-F60 PolarHBondContact O-N 3.39Å; G57-V61 PolarHBondContact O-N 2.96Å
58	R	95.8	Very high	93.3	Very high	14 Å²	14	39 Å²	39	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-68.9	-42.6	177.7	-65.9	-172.8	-67.1	176.8	-1.9	112.7	Q29 Q54 V55 A56 F60 V61 V62 W85 E89	Q29-R58 VanDerWaalsContact OE1-CZ 3.22Å; Q29-R58 VanDerWaalsContact OE1-NE 3.17Å; Q54-R58 WeakPolarHBondContact O-CG 3.33Å; Q54-R58 PolarHBondContact O-N 3.23Å; V55-R58 PolarHBondContact O-N 3.26Å; A56-R58 PolarHBondContact O-N 3.33Å; R58-F60 PolarHBondContact O-N 3.26Å; R58-V61 PolarHBondContact O-N 2.9Å; R58-V61 VanDerWaalsContact O-N 3.09Å; R58-V62 WeakPolarHBondContact O-CG2 3.42Å; R58-V62 PolarHBondContact O-N 3.48Å; R58-W85 HydrophobicContact CB-CH2 4.04Å; R58-W85 HydrophobicContact CB-CZ2 3.87Å; R58-W85 HydrophobicContact CG-CD2 4.32Å; R58-W85 HydrophobicContact CG-CH2 4.23Å; R58-W85 HydrophobicContact CG-CZ2 3.55Å; R58-E89 IonicContact CZ-OE1 3.42Å; R58-E89 IonicContact NH1-OE1 3.89Å; R58-E89 PolarHBondContact NH1-OE1 2.82Å; R58-E89 IonicContact NH2-OE1 2.86Å; R58-E89 PolarHBondContact NH2-OE1 2.89Å
59	L	96.9	Very high	93.5	Very high	30 Å²	30	36.6 Å²	36.6	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-36.1	175.6	-73.5	174.2	0	0	0	111.9	Q29 I33 V55 A56 V62 W63 P64	Q29-L59 HydrophobicContact CB-CD2 4.35Å; Q29-L59 WeakPolarHBondContact O-CD2 3.34Å; I33-L59 HydrophobicContact CD1-CD1 3.86Å; I33-L59 HydrophobicContact CG1-CD1 3.74Å; V55-L59 HydrophobicContact CG1-CD1 3.74Å; V55-L59 HydrophobicContact CG1-CG 4.21Å; V55-L59 WeakPolarHBondContact O-CB 3.07Å; V55-L59 VanDerWaalsContact O-CG 3.3Å; V55-L59 WeakPolarHBondContact O-CG 3.07Å; V55-L59 PolarHBondContact O-N 3.09Å; A56-L59 PolarHBondContact O-N 2.88Å; L59-V62 PolarHBondContact O-N 2.96Å; L59-W63 WeakPolarHBondContact O-CB 3.49Å; L59-W63 PolarHBondContact O-N 2.86Å; L59-P64 WeakPolarHBondContact O-CD 3.46Å
60	F	95	Very high	93.5	Very high	37 Å²	37	34.4 Å²	34.4	16%	0.162	19%	0.187	C	C	.	.	H	α-helix	trans	-62.7	-41.3	173.7	-176.8	-90.4	0	0	0	112.4	A56 G57 R58 P64 I65 F158 V161 V162 T165	A56-F60 WeakPolarHBondContact O-CB 3.46Å; A56-F60 PolarHBondContact O-N 3.37Å; G57-F60 WeakPolarHBondContact O-CB 3.4Å; G57-F60 PolarHBondContact O-N 3.39Å; R58-F60 PolarHBondContact O-N 3.26Å; F60-P64 HydrophobicContact CD2-CB 4.29Å; F60-P64 HydrophobicContact CD2-CG 3.85Å; F60-P64 HydrophobicContact CE2-CB 4.2Å; F60-P64 HydrophobicContact CE2-CG 4.18Å; F60-P64 HydrophobicContact CG-CG 4.35Å; F60-P64 WeakPolarHBondContact O-CB 3.4Å; F60-P64 WeakPolarHBondContact O-CD 3.37Å; F60-P64 WeakPolarHBondContact O-CG 3.4Å; F60-I65 HydrophobicContact CD1-CG1 4.24Å; F60-I65 HydrophobicContact CE1-CD1 4.12Å; F60-I65 HydrophobicContact CE1-CG1 3.9Å; F60-I65 HydrophobicContact CZ-CD1 4.48Å; F60-I65 PolarHBondContact O-N 3.17Å; F60-F158 HydrophobicContact CE2-CE2 4.23Å; F60-F158 HydrophobicContact CZ-CE2 4.13Å; F60-V161 HydrophobicContact CE2-CG1 4.18Å; F60-V161 HydrophobicContact CZ-CG1 4.4Å; F60-V162 HydrophobicContact CZ-CG2 4.32Å; F60-T165 HydrophobicContact CD1-CG2 3.78Å; F60-T165 HydrophobicContact CE1-CG2 3.65Å; F60-T165 HydrophobicContact CG-CG2 4.46Å; F60-T165 HydrophobicContact CZ-CG2 4.23Å; F60-T165 WeakPolarHBondContact CZ-OG1 3.37Å
61	V	96.3	Very high	93.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-70.5	-38	177.1	174.3	0	0	0	0	111.5	G57 R58 I65 A66 Y81 W85 E127 I131	G57-V61 PolarHBondContact O-N 2.96Å; R58-V61 PolarHBondContact O-N 2.9Å; R58-V61 VanDerWaalsContact O-N 3.09Å; V61-I65 WeakPolarHBondContact O-CB 3.42Å; V61-A66 VanDerWaalsContact O-CB 3.3Å; V61-A66 WeakPolarHBondContact O-CB 3.43Å; V61-A66 PolarHBondContact O-N 3.45Å; V61-Y81 HydrophobicContact CG1-CD1 4.15Å; V61-Y81 HydrophobicContact CG1-CE1 3.69Å; V61-W85 HydrophobicContact CB-CH2 4.08Å; V61-W85 HydrophobicContact CB-CZ2 4.47Å; V61-W85 HydrophobicContact CG1-CH2 3.95Å; V61-W85 HydrophobicContact CG1-CZ2 4.42Å; V61-E127 HydrophobicContact CG1-CG 4.44Å; V61-E127 HydrophobicContact CG2-CB 4.02Å; V61-E127 HydrophobicContact CG2-CG 4.01Å; V61-I131 HydrophobicContact CG2-CD1 3.99Å; V61-I131 HydrophobicContact CG2-CG1 4.29Å
62	V	96.3	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	I	π-helix	trans	-70.8	-55.2	-178.9	169.5	0	0	0	0	111.5	V25 E26 Q29 R58 L59 A66 H67 W85	V25-V62 HydrophobicContact CG1-CG2 4.03Å; E26-V62 HydrophobicContact CB-CG1 4.22Å; E26-V62 HydrophobicContact CG-CG1 3.56Å; Q29-V62 HydrophobicContact CB-CG2 4.05Å; Q29-V62 HydrophobicContact CG-CG2 3.9Å; R58-V62 WeakPolarHBondContact O-CG2 3.42Å; R58-V62 PolarHBondContact O-N 3.48Å; L59-V62 PolarHBondContact O-N 2.96Å; V62-A66 PolarHBondContact O-N 3.18Å; V62-H67 WeakPolarHBondContact O-CB 3.22Å; V62-H67 PolarHBondContact O-N 2.9Å; V62-W85 HydrophobicContact CG2-CH2 3.88Å; V62-W85 HydrophobicContact CG2-CZ3 3.56Å
63	W	95.1	Very high	93.8	Very high	97 Å²	97	35.6 Å²	35.6	37%	0.367	19%	0.185	S	C	.	.	I	π-helix	trans	-87.9	-67.6	-167.2	-69.8	109.9	0	0	0	111.8	E26 T30 L59 I65 H67 N68	E26-W63 HydrophobicContact CB-CH2 4.07Å; E26-W63 HydrophobicContact CB-CZ2 4Å; E26-W63 HydrophobicContact CG-CH2 4.33Å; E26-W63 HydrophobicContact CG-CZ2 4.44Å; T30-W63 WeakPolarHBondContact OG1-CZ2 3.23Å; T30-W63 PolarHBondContact OG1-NE1 3.48Å; T30-W63 VanDerWaalsContact OG1-NE1 3.08Å; L59-W63 WeakPolarHBondContact O-CB 3.49Å; L59-W63 PolarHBondContact O-N 2.86Å; W63-I65 VanDerWaalsContact C-N 3.27Å; W63-I65 PolarHBondContact O-N 3.1Å; W63-H67 HydrophobicContact CE3-CB 4.31Å; W63-H67 AromaticContact CZ3-ND1 3.9Å; W63-H67 VanDerWaalsContact O-CB 3.26Å; W63-H67 WeakPolarHBondContact O-CB 3.14Å; W63-N68 PolarHBondContact O-ND2 3.14Å
64	P	91.9	Very high	93.7	Very high	38 Å²	38	35.6 Å²	35.6	25%	0.247	19%	0.187	C	C	.	.	I	π-helix	trans	-54.8	-37.9	177.1	-27.2	28.5	0	0	0	115	L59 F60 N68 F158	L59-P64 WeakPolarHBondContact O-CD 3.46Å; F60-P64 HydrophobicContact CD2-CB 4.29Å; F60-P64 HydrophobicContact CD2-CG 3.85Å; F60-P64 HydrophobicContact CE2-CB 4.2Å; F60-P64 HydrophobicContact CE2-CG 4.18Å; F60-P64 HydrophobicContact CG-CG 4.35Å; F60-P64 WeakPolarHBondContact O-CB 3.4Å; F60-P64 WeakPolarHBondContact O-CD 3.37Å; F60-P64 WeakPolarHBondContact O-CG 3.4Å; P64-N68 PolarHBondContact O-ND2 2.93Å; P64-F158 HydrophobicContact CB-CE2 3.81Å; P64-F158 HydrophobicContact CB-CZ 3.5Å; P64-F158 VanDerWaalsContact CB-CZ 3.5Å
65	I	93.7	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	I	π-helix	trans	-97.7	-71.4	-172.3	-54.8	-64.4	0	0	0	112.2	F60 V61 W63 H67 N68 V69 A72 I131 A134 I138 F158 V162	F60-I65 HydrophobicContact CD1-CG1 4.24Å; F60-I65 HydrophobicContact CE1-CD1 4.12Å; F60-I65 HydrophobicContact CE1-CG1 3.9Å; F60-I65 HydrophobicContact CZ-CD1 4.48Å; F60-I65 PolarHBondContact O-N 3.17Å; V61-I65 WeakPolarHBondContact O-CB 3.42Å; W63-I65 VanDerWaalsContact C-N 3.27Å; W63-I65 PolarHBondContact O-N 3.1Å; I65-H67 PolarHBondContact O-N 2.67Å; I65-N68 PolarHBondContact O-N 2.83Å; I65-V69 VanDerWaalsContact O-CB 3.3Å; I65-V69 WeakPolarHBondContact O-CB 3.19Å; I65-V69 WeakPolarHBondContact O-CG2 3.38Å; I65-V69 PolarHBondContact O-N 3.47Å; I65-A72 HydrophobicContact CG2-CB 3.72Å; I65-I131 HydrophobicContact CG1-CG1 4.33Å; I65-A134 HydrophobicContact CD1-CB 4.41Å; I65-A134 HydrophobicContact CG2-CB 3.66Å; I65-I138 HydrophobicContact CD1-CD1 3.88Å; I65-F158 HydrophobicContact CD1-CE1 4.2Å; I65-F158 HydrophobicContact CD1-CZ 3.75Å; I65-V162 HydrophobicContact CD1-CG2 3.79Å
66	A	93.9	Very high	93.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	I	π-helix	trans	-66.8	-40.2	-169.4	0	0	0	0	0	112.8	Y18 V61 V62 N68 R73	Y18-A66 HydrophobicContact CE1-CB 4.14Å; V61-A66 VanDerWaalsContact O-CB 3.3Å; V61-A66 WeakPolarHBondContact O-CB 3.43Å; V61-A66 PolarHBondContact O-N 3.45Å; V62-A66 PolarHBondContact O-N 3.18Å; A66-N68 PolarHBondContact O-N 3.28Å; A66-R73 HydrophobicContact CB-CG 4.22Å; A66-R73 WeakPolarHBondContact O-CD 3.29Å; A66-R73 WeakPolarHBondContact O-CG 3.42Å; A66-R73 PolarHBondContact O-NE 3.42Å; A66-R73 VanDerWaalsContact O-NE 3.14Å
67	H	92.8	Very high	93.6	Very high	82 Å²	82	36.8 Å²	36.8	38%	0.38	19%	0.189	S	C	.	.	I	π-helix	trans	-62.1	-44.2	178.3	-170.2	83.1	0	0	0	111.7	E26 V62 W63 I65	E26-H67 IonicContact OE1-CE1 2.9Å; E26-H67 IonicContact OE1-CG 3.55Å; E26-H67 IonicContact OE1-ND1 3.64Å; E26-H67 PolarHBondContact OE1-ND1 2.84Å; E26-H67 IonicContact OE2-CE1 3.94Å; E26-H67 IonicContact OE2-ND1 3.68Å; E26-H67 PolarHBondContact OE2-ND1 3.25Å; V62-H67 WeakPolarHBondContact O-CB 3.22Å; V62-H67 PolarHBondContact O-N 2.9Å; W63-H67 HydrophobicContact CE3-CB 4.31Å; W63-H67 AromaticContact CZ3-ND1 3.9Å; W63-H67 VanDerWaalsContact O-CB 3.26Å; W63-H67 WeakPolarHBondContact O-CB 3.14Å; I65-H67 PolarHBondContact O-N 2.67Å
68	N	90.3	Very high	93.5	Very high	77 Å²	77	35.9 Å²	35.9	41%	0.412	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-20.3	-173.9	-61.7	-53.3	0	0	0	114.4	W63 P64 I65 A66 L143	W63-N68 PolarHBondContact O-ND2 3.14Å; P64-N68 PolarHBondContact O-ND2 2.93Å; I65-N68 PolarHBondContact O-N 2.83Å; A66-N68 PolarHBondContact O-N 3.28Å; N68-L143 HydrophobicContact CB-CD1 4.48Å
69	V	92.5	Very high	93.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.			trans	-122.7	109.3	-172.1	-170.6	0	0	0	0	110.8	I65 E71 A72 R73 A134 P137 I138 L143	I65-V69 VanDerWaalsContact O-CB 3.3Å; I65-V69 WeakPolarHBondContact O-CB 3.19Å; I65-V69 WeakPolarHBondContact O-CG2 3.38Å; I65-V69 PolarHBondContact O-N 3.47Å; V69-E71 VanDerWaalsContact C-N 3.28Å; V69-E71 HydrophobicContact CG1-CB 4.16Å; V69-E71 VanDerWaalsContact CG1-OE2 3.26Å; V69-E71 WeakPolarHBondContact CG1-OE2 3.45Å; V69-E71 PolarHBondContact O-N 3.42Å; V69-A72 HydrophobicContact CB-CB 4.09Å; V69-A72 HydrophobicContact CG1-CB 4.31Å; V69-A72 WeakPolarHBondContact O-CB 3.42Å; V69-A72 PolarHBondContact O-N 3.05Å; V69-R73 PolarHBondContact O-N 2.99Å; V69-A134 HydrophobicContact CB-CB 4.21Å; V69-A134 HydrophobicContact CG1-CB 4Å; V69-A134 HydrophobicContact CG2-CB 4.21Å; V69-P137 HydrophobicContact CG1-CB 3.78Å; V69-P137 HydrophobicContact CG1-CG 4.07Å; V69-I138 HydrophobicContact CG2-CD1 4.3Å; V69-I138 HydrophobicContact CG2-CG1 3.94Å; V69-L143 HydrophobicContact CG2-CD1 3.63Å
70	V	91.5	Very high	93.3	Very high	73 Å²	73	37.4 Å²	37.4	44%	0.442	19%	0.186	S	C	.	.	H	α-helix	trans	-60	-40.2	-179.7	177.5	0	0	0	0	111.3	A72 R73 T74	V70-A72 VanDerWaalsContact C-N 3.25Å; V70-A72 PolarHBondContact O-N 3.25Å; V70-R73 VanDerWaalsContact CG2-NH2 3.35Å; V70-R73 WeakPolarHBondContact O-CB 3.3Å; V70-R73 PolarHBondContact O-N 2.89Å; V70-T74 HydrophobicContact CG1-CG2 4.43Å; V70-T74 PolarHBondContact O-N 3.47Å; V70-T74 PolarHBondContact O-OG1 2.88Å
71	E	92.8	Very high	93.3	Very high	63 Å²	63	35.7 Å²	35.7	29%	0.294	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-32.2	-179.2	-62.1	79.1	-178.5	0	0	112.2	V69 T74 S75 P137 R141	V69-E71 VanDerWaalsContact C-N 3.28Å; V69-E71 HydrophobicContact CG1-CB 4.16Å; V69-E71 VanDerWaalsContact CG1-OE2 3.26Å; V69-E71 WeakPolarHBondContact CG1-OE2 3.45Å; V69-E71 PolarHBondContact O-N 3.42Å; E71-T74 PolarHBondContact O-OG1 3.11Å; E71-S75 PolarHBondContact O-N 3.03Å; E71-S75 VanDerWaalsContact O-N 3.16Å; E71-P137 HydrophobicContact CB-CG 3.96Å; E71-P137 HydrophobicContact CG-CG 3.74Å; E71-R141 IonicContact OE1-CZ 3.99Å; E71-R141 IonicContact OE1-NH1 3.56Å; E71-R141 IonicContact OE1-NH2 3.32Å; E71-R141 PolarHBondContact OE1-NH2 2.69Å; E71-R141 IonicContact OE2-CZ 3.5Å; E71-R141 IonicContact OE2-NH1 3.53Å; E71-R141 PolarHBondContact OE2-NH1 2.7Å; E71-R141 IonicContact OE2-NH2 2.68Å
72	A	93.3	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.4	-40.4	173.2	0	0	0	0	0	111.1	I65 V69 V70 S75 A78 A134	I65-A72 HydrophobicContact CG2-CB 3.72Å; V69-A72 HydrophobicContact CB-CB 4.09Å; V69-A72 HydrophobicContact CG1-CB 4.31Å; V69-A72 WeakPolarHBondContact O-CB 3.42Å; V69-A72 PolarHBondContact O-N 3.05Å; V70-A72 VanDerWaalsContact C-N 3.25Å; V70-A72 PolarHBondContact O-N 3.25Å; A72-S75 WeakPolarHBondContact O-CB 3.48Å; A72-S75 PolarHBondContact O-N 3.05Å; A72-S75 PolarHBondContact O-OG 3.47Å; A72-A78 WeakPolarHBondContact O-CB 3.39Å; A72-A134 HydrophobicContact CB-CB 4.14Å
73	R	92.6	Very high	93	Very high	76 Å²	76	38.4 Å²	38.4	29%	0.287	19%	0.193	S	C	.	.	H	α-helix	trans	-67.5	-34.6	179.2	-64.1	-173.5	-89.9	177.6	-8.2	113.1	Y18 A66 V69 V70 A78	Y18-R73 WeakPolarHBondContact CB-O 3.46Å; Y18-R73 HydrophobicContact CD1-CB 3.69Å; Y18-R73 HydrophobicContact CD1-CG 3.49Å; Y18-R73 VanDerWaalsContact CD1-CG 3.49Å; Y18-R73 HydrophobicContact CE1-CB 4.35Å; Y18-R73 HydrophobicContact CE1-CG 3.63Å; Y18-R73 HydrophobicContact CG-CB 4.28Å; Y18-R73 HydrophobicContact CG-CG 4.41Å; A66-R73 HydrophobicContact CB-CG 4.22Å; A66-R73 WeakPolarHBondContact O-CD 3.29Å; A66-R73 WeakPolarHBondContact O-CG 3.42Å; A66-R73 PolarHBondContact O-NE 3.42Å; A66-R73 VanDerWaalsContact O-NE 3.14Å; V69-R73 PolarHBondContact O-N 2.99Å; V70-R73 VanDerWaalsContact CG2-NH2 3.35Å; V70-R73 WeakPolarHBondContact O-CB 3.3Å; V70-R73 PolarHBondContact O-N 2.89Å; R73-A78 VanDerWaalsContact O-CB 3.28Å; R73-A78 WeakPolarHBondContact O-CB 3.29Å
74	T	91	Very high	93	Very high	56 Å²	56	33.9 Å²	33.9	34%	0.344	18%	0.176	S	C	.	.	H	α-helix	trans	-88	-6.3	179.8	58.6	0	0	0	0	113.3	H15 V70 E71	H15-T74 WeakPolarHBondContact CB-O 3.25Å; H15-T74 PolarHBondContact ND1-O 2.64Å; H15-T74 WeakPolarHBondContact O-CA 3.45Å; V70-T74 HydrophobicContact CG1-CG2 4.43Å; V70-T74 PolarHBondContact O-N 3.47Å; V70-T74 PolarHBondContact O-OG1 2.88Å; E71-T74 PolarHBondContact O-OG1 3.11Å
75	S	92.7	Very high	93.2	Very high	18 Å²	18	32.6 Å²	32.6	13%	0.126	17%	0.166	C	C	.	.	S	Bend	trans	-66.7	154.5	177.4	75.8	0	0	0	0	112.6	E71 A72 G77 A78	E71-S75 PolarHBondContact O-N 3.03Å; E71-S75 VanDerWaalsContact O-N 3.16Å; A72-S75 WeakPolarHBondContact O-CB 3.48Å; A72-S75 PolarHBondContact O-N 3.05Å; A72-S75 PolarHBondContact O-OG 3.47Å; S75-G77 PolarHBondContact O-N 3.26Å; S75-G77 PolarHBondContact OG-N 3.04Å; S75-A78 PolarHBondContact O-N 3.34Å; S75-A78 PolarHBondContact OG-N 2.93Å
76	L	91.8	Very high	93.2	Very high	91 Å²	91	34.4 Å²	34.4	48%	0.476	18%	0.179	S	C	.	.	H	α-helix	trans	-56.1	-31.6	167.8	-179	64.9	0	0	0	111.2	V14 A78 F79 L80	V14-L76 HydrophobicContact CG1-CD1 4.4Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 3.27Å; L76-F79 HydrophobicContact CD1-CD1 4.3Å; L76-F79 WeakPolarHBondContact O-CB 3.46Å; L76-F79 PolarHBondContact O-N 3.04Å; L76-L80 HydrophobicContact CD2-CD1 4.5Å; L76-L80 HydrophobicContact CG-CD1 4.14Å; L76-L80 HydrophobicContact CG-CG 4.26Å; L76-L80 WeakPolarHBondContact O-CG 3.22Å; L76-L80 PolarHBondContact O-N 3.03Å; L76-L80 VanDerWaalsContact O-N 3.09Å
77	G	94.3	Very high	93.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-43.6	178.1	0	0	0	0	0	113.1	S75 F79 L80 Y81 G126	S75-G77 PolarHBondContact O-N 3.26Å; S75-G77 PolarHBondContact OG-N 3.04Å; G77-F79 VanDerWaalsContact C-N 3.32Å; G77-F79 PolarHBondContact O-N 3.19Å; G77-L80 PolarHBondContact O-N 3.09Å; G77-Y81 WeakPolarHBondContact O-CD1 3.33Å; G77-Y81 PolarHBondContact O-N 3.41Å; G77-G126 CarbonylContact C-O 3.49Å; G77-G126 WeakPolarHBondContact CA-O 3.2Å; G77-G126 CarbonylContact O-C 3.56Å; G77-G126 WeakPolarHBondContact O-CA 3.33Å
78	A	94.2	Very high	93.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-41.7	177.4	0	0	0	0	0	113.3	Y18 A72 R73 S75 L76 Y81 T82	Y18-A78 HydrophobicContact CD2-CB 4.06Å; Y18-A78 HydrophobicContact CG-CB 4.2Å; A72-A78 WeakPolarHBondContact O-CB 3.39Å; R73-A78 VanDerWaalsContact O-CB 3.28Å; R73-A78 WeakPolarHBondContact O-CB 3.29Å; S75-A78 PolarHBondContact O-N 3.34Å; S75-A78 PolarHBondContact OG-N 2.93Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 3.27Å; A78-Y81 HydrophobicContact CB-CE1 4.08Å; A78-T82 WeakPolarHBondContact O-CB 3.48Å; A78-T82 PolarHBondContact O-N 3.3Å; A78-T82 VanDerWaalsContact O-N 3.14Å; A78-T82 PolarHBondContact O-OG1 3.5Å
79	F	92.2	Very high	93.5	Very high	42 Å²	42	32.8 Å²	32.8	18%	0.184	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-48.2	174.8	171.7	-107.8	0	0	0	112.2	V14 I17 L76 G77 T82 I83	V14-F79 HydrophobicContact CG1-CB 3.58Å; V14-F79 HydrophobicContact CG1-CD1 3.38Å; V14-F79 HydrophobicContact CG1-CD2 3.5Å; V14-F79 HydrophobicContact CG1-CE1 3.81Å; V14-F79 HydrophobicContact CG1-CE2 3.89Å; V14-F79 HydrophobicContact CG1-CG 3.19Å; V14-F79 HydrophobicContact CG1-CZ 4.02Å; I17-F79 HydrophobicContact CB-CD2 4.41Å; I17-F79 HydrophobicContact CD1-CD2 3.49Å; I17-F79 VanDerWaalsContact CD1-CD2 3.49Å; I17-F79 HydrophobicContact CD1-CE2 3.45Å; I17-F79 VanDerWaalsContact CD1-CE2 3.45Å; I17-F79 HydrophobicContact CG2-CD2 4.37Å; L76-F79 HydrophobicContact CD1-CD1 4.3Å; L76-F79 WeakPolarHBondContact O-CB 3.46Å; L76-F79 PolarHBondContact O-N 3.04Å; G77-F79 VanDerWaalsContact C-N 3.32Å; G77-F79 PolarHBondContact O-N 3.19Å; F79-T82 PolarHBondContact O-N 3.33Å; F79-I83 HydrophobicContact CD2-CD1 3.99Å; F79-I83 HydrophobicContact CD2-CG1 4.47Å; F79-I83 HydrophobicContact CE1-CD1 3.96Å; F79-I83 HydrophobicContact CE2-CD1 3.29Å; F79-I83 HydrophobicContact CE2-CG1 4.18Å; F79-I83 HydrophobicContact CZ-CD1 3.28Å; F79-I83 HydrophobicContact CZ-CG1 4.48Å; F79-I83 PolarHBondContact O-N 2.9Å; F79-I83 VanDerWaalsContact O-N 3.13Å
80	L	94.5	Very high	93.6	Very high	35 Å²	35	37.1 Å²	37.1	18%	0.183	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-52	-176.2	-67.2	178.5	0	0	0	112.1	L76 G77 T82 I83 A84 L122 L129	L76-L80 HydrophobicContact CD2-CD1 4.5Å; L76-L80 HydrophobicContact CG-CD1 4.14Å; L76-L80 HydrophobicContact CG-CG 4.26Å; L76-L80 WeakPolarHBondContact O-CG 3.22Å; L76-L80 PolarHBondContact O-N 3.03Å; L76-L80 VanDerWaalsContact O-N 3.09Å; G77-L80 PolarHBondContact O-N 3.09Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.85Å; L80-I83 PolarHBondContact O-N 3.47Å; L80-A84 VanDerWaalsContact O-CB 3.29Å; L80-A84 WeakPolarHBondContact O-CB 3.34Å; L80-A84 PolarHBondContact O-N 3.47Å; L80-L122 HydrophobicContact CD2-CD1 3.92Å; L80-L129 HydrophobicContact CD1-CD1 4.12Å
81	Y	95.6	Very high	93.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-33.8	-180	74.1	-121.4	0	0	0	111.3	Y18 V61 G77 A78 I83 A84 W85 E127 A130	Y18-Y81 HydrophobicContact CD2-CE2 4.2Å; Y18-Y81 WeakPolarHBondContact CD2-OH 3.41Å; Y18-Y81 AromaticContact CE2-CE2 3.79Å; Y18-Y81 HydrophobicContact CE2-CE2 3.79Å; Y18-Y81 AromaticContact CE2-CZ 3.8Å; Y18-Y81 WeakPolarHBondContact CE2-OH 3.3Å; V61-Y81 HydrophobicContact CG1-CD1 4.15Å; V61-Y81 HydrophobicContact CG1-CE1 3.69Å; G77-Y81 WeakPolarHBondContact O-CD1 3.33Å; G77-Y81 PolarHBondContact O-N 3.41Å; A78-Y81 HydrophobicContact CB-CE1 4.08Å; Y81-I83 PolarHBondContact O-N 3.3Å; Y81-A84 PolarHBondContact O-N 3.38Å; Y81-W85 AromaticContact CD2-CD2 3.79Å; Y81-W85 HydrophobicContact CD2-CD2 3.79Å; Y81-W85 AromaticContact CD2-CE2 3.9Å; Y81-W85 AromaticContact CD2-CE3 3.48Å; Y81-W85 HydrophobicContact CD2-CE3 3.48Å; Y81-W85 VanDerWaalsContact CD2-CE3 3.48Å; Y81-W85 AromaticContact CD2-CH2 3.47Å; Y81-W85 HydrophobicContact CD2-CH2 3.47Å; Y81-W85 VanDerWaalsContact CD2-CH2 3.47Å; Y81-W85 AromaticContact CD2-CZ2 3.78Å; Y81-W85 HydrophobicContact CD2-CZ2 3.78Å; Y81-W85 AromaticContact CD2-CZ3 3.31Å; Y81-W85 HydrophobicContact CD2-CZ3 3.31Å; Y81-W85 AromaticContact CE2-CE3 3.98Å; Y81-W85 HydrophobicContact CE2-CE3 3.98Å; Y81-W85 AromaticContact CE2-CH2 3.74Å; Y81-W85 HydrophobicContact CE2-CH2 3.74Å; Y81-W85 HydrophobicContact CE2-CZ2 4.47Å; Y81-W85 AromaticContact CE2-CZ3 3.45Å; Y81-W85 HydrophobicContact CE2-CZ3 3.45Å; Y81-W85 VanDerWaalsContact CE2-CZ3 3.45Å; Y81-W85 HydrophobicContact CG-CD2 4.4Å; Y81-W85 HydrophobicContact CG-CE3 4.46Å; Y81-W85 AromaticContact CG-CH2 4Å; Y81-W85 HydrophobicContact CG-CH2 4Å; Y81-W85 AromaticContact CG-CZ2 3.93Å; Y81-W85 HydrophobicContact CG-CZ2 3.93Å; Y81-W85 HydrophobicContact CG-CZ3 4.26Å; Y81-W85 VanDerWaalsContact O-CB 3.22Å; Y81-W85 WeakPolarHBondContact O-CB 3.31Å; Y81-W85 PolarHBondContact O-N 3.02Å; Y81-E127 HydrophobicContact CD1-CG 4.49Å; Y81-A130 HydrophobicContact CD1-CB 4.27Å; Y81-A130 HydrophobicContact CE1-CB 3.77Å
82	T	94.1	Very high	93.6	Very high	7 Å²	7	33 Å²	33	4%	0.043	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-44.8	-179.1	-67.6	0	0	0	0	111	V21 V25 A78 F79 L80 S86	V21-T82 HydrophobicContact CG2-CG2 3.79Å; V25-T82 HydrophobicContact CG2-CG2 4.09Å; A78-T82 WeakPolarHBondContact O-CB 3.48Å; A78-T82 PolarHBondContact O-N 3.3Å; A78-T82 VanDerWaalsContact O-N 3.14Å; A78-T82 PolarHBondContact O-OG1 3.5Å; F79-T82 PolarHBondContact O-N 3.33Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.85Å; T82-S86 VanDerWaalsContact O-CB 3.23Å; T82-S86 WeakPolarHBondContact O-CB 3.26Å; T82-S86 PolarHBondContact O-N 2.76Å; T82-S86 PolarHBondContact O-OG 3.49Å
83	I	92.9	Very high	93.5	Very high	51 Å²	51	37.3 Å²	37.3	26%	0.262	19%	0.192	S	C	.	.	H	α-helix	trans	-67.5	-48.1	175.4	-69.7	-175.9	0	0	0	110.5	F79 L80 Y81 W85 S86 L87	F79-I83 HydrophobicContact CD2-CD1 3.99Å; F79-I83 HydrophobicContact CD2-CG1 4.47Å; F79-I83 HydrophobicContact CE1-CD1 3.96Å; F79-I83 HydrophobicContact CE2-CD1 3.29Å; F79-I83 HydrophobicContact CE2-CG1 4.18Å; F79-I83 HydrophobicContact CZ-CD1 3.28Å; F79-I83 HydrophobicContact CZ-CG1 4.48Å; F79-I83 PolarHBondContact O-N 2.9Å; F79-I83 VanDerWaalsContact O-N 3.13Å; L80-I83 PolarHBondContact O-N 3.47Å; Y81-I83 PolarHBondContact O-N 3.3Å; I83-W85 PolarHBondContact O-N 3.18Å; I83-S86 PolarHBondContact O-N 2.95Å; I83-L87 HydrophobicContact CG2-CD1 3.84Å; I83-L87 HydrophobicContact CG2-CG 4.4Å; I83-L87 WeakPolarHBondContact O-CG 3.31Å; I83-L87 PolarHBondContact O-N 3.49Å
84	A	95.7	Very high	93.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-47.3	-177.1	0	0	0	0	0	111.9	L80 Y81 T88 L122	L80-A84 VanDerWaalsContact O-CB 3.29Å; L80-A84 WeakPolarHBondContact O-CB 3.34Å; L80-A84 PolarHBondContact O-N 3.47Å; Y81-A84 PolarHBondContact O-N 3.38Å; A84-T88 WeakPolarHBondContact O-CB 3.49Å; A84-T88 PolarHBondContact O-N 3.15Å; A84-T88 PolarHBondContact O-OG1 3.11Å; A84-L122 HydrophobicContact CB-CB 4.35Å; A84-L122 HydrophobicContact CB-CD2 4.24Å; A84-L122 HydrophobicContact CB-CG 4.33Å
85	W	95.5	Very high	93.4	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.045	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-45	176.7	-64.6	-10	0	0	0	111.7	V25 Q29 R58 V61 V62 Y81 I83 L87 T88 E89 E127	V25-W85 HydrophobicContact CG1-CE3 4.25Å; V25-W85 HydrophobicContact CG1-CZ3 4.04Å; Q29-W85 HydrophobicContact CG-CE3 4.03Å; Q29-W85 HydrophobicContact CG-CZ3 4.06Å; R58-W85 HydrophobicContact CB-CH2 4.04Å; R58-W85 HydrophobicContact CB-CZ2 3.87Å; R58-W85 HydrophobicContact CG-CD2 4.32Å; R58-W85 HydrophobicContact CG-CH2 4.23Å; R58-W85 HydrophobicContact CG-CZ2 3.55Å; V61-W85 HydrophobicContact CB-CH2 4.08Å; V61-W85 HydrophobicContact CB-CZ2 4.47Å; V61-W85 HydrophobicContact CG1-CH2 3.95Å; V61-W85 HydrophobicContact CG1-CZ2 4.42Å; V62-W85 HydrophobicContact CG2-CH2 3.88Å; V62-W85 HydrophobicContact CG2-CZ3 3.56Å; Y81-W85 AromaticContact CD2-CD2 3.79Å; Y81-W85 HydrophobicContact CD2-CD2 3.79Å; Y81-W85 AromaticContact CD2-CE2 3.9Å; Y81-W85 AromaticContact CD2-CE3 3.48Å; Y81-W85 HydrophobicContact CD2-CE3 3.48Å; Y81-W85 VanDerWaalsContact CD2-CE3 3.48Å; Y81-W85 AromaticContact CD2-CH2 3.47Å; Y81-W85 HydrophobicContact CD2-CH2 3.47Å; Y81-W85 VanDerWaalsContact CD2-CH2 3.47Å; Y81-W85 AromaticContact CD2-CZ2 3.78Å; Y81-W85 HydrophobicContact CD2-CZ2 3.78Å; Y81-W85 AromaticContact CD2-CZ3 3.31Å; Y81-W85 HydrophobicContact CD2-CZ3 3.31Å; Y81-W85 AromaticContact CE2-CE3 3.98Å; Y81-W85 HydrophobicContact CE2-CE3 3.98Å; Y81-W85 AromaticContact CE2-CH2 3.74Å; Y81-W85 HydrophobicContact CE2-CH2 3.74Å; Y81-W85 HydrophobicContact CE2-CZ2 4.47Å; Y81-W85 AromaticContact CE2-CZ3 3.45Å; Y81-W85 HydrophobicContact CE2-CZ3 3.45Å; Y81-W85 VanDerWaalsContact CE2-CZ3 3.45Å; Y81-W85 HydrophobicContact CG-CD2 4.4Å; Y81-W85 HydrophobicContact CG-CE3 4.46Å; Y81-W85 AromaticContact CG-CH2 4Å; Y81-W85 HydrophobicContact CG-CH2 4Å; Y81-W85 AromaticContact CG-CZ2 3.93Å; Y81-W85 HydrophobicContact CG-CZ2 3.93Å; Y81-W85 HydrophobicContact CG-CZ3 4.26Å; Y81-W85 VanDerWaalsContact O-CB 3.22Å; Y81-W85 WeakPolarHBondContact O-CB 3.31Å; Y81-W85 PolarHBondContact O-N 3.02Å; I83-W85 PolarHBondContact O-N 3.18Å; W85-L87 PolarHBondContact O-N 3.27Å; W85-T88 PolarHBondContact O-N 3.36Å; W85-E89 WeakPolarHBondContact O-CB 3.39Å; W85-E89 WeakPolarHBondContact O-CG 3.49Å; W85-E89 PolarHBondContact O-N 3.03Å; W85-E127 VanDerWaalsContact CE2-OE1 3.23Å; W85-E127 HydrophobicContact CZ2-CG 3.63Å; W85-E127 WeakPolarHBondContact CZ2-OE1 3.32Å; W85-E127 PolarHBondContact NE1-OE1 2.78Å
86	S	94	Very high	93.2	Very high	38 Å²	38	35.1 Å²	35.1	27%	0.266	18%	0.184	S	C	.	.	H	α-helix	trans	-59	-47.5	-179.5	-63.8	0	0	0	0	111.8	T82 I83 V90	T82-S86 VanDerWaalsContact O-CB 3.23Å; T82-S86 WeakPolarHBondContact O-CB 3.26Å; T82-S86 PolarHBondContact O-N 2.76Å; T82-S86 PolarHBondContact O-OG 3.49Å; I83-S86 PolarHBondContact O-N 2.95Å; S86-V90 VanDerWaalsContact O-CG2 3.27Å; S86-V90 WeakPolarHBondContact O-CG2 3.46Å; S86-V90 PolarHBondContact O-N 2.79Å; S86-V90 VanDerWaalsContact O-N 3.14Å
87	L	95.2	Very high	93	Very high	71 Å²	71	33.6 Å²	33.6	37%	0.372	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-44.8	177.4	-69.8	173.7	0	0	0	111.3	M1 I83 W85 E89 V90 I91 L119	M1-L87 HydrophobicContact CE-CD2 4.06Å; I83-L87 HydrophobicContact CG2-CD1 3.84Å; I83-L87 HydrophobicContact CG2-CG 4.4Å; I83-L87 WeakPolarHBondContact O-CG 3.31Å; I83-L87 PolarHBondContact O-N 3.49Å; W85-L87 PolarHBondContact O-N 3.27Å; L87-E89 PolarHBondContact O-N 3.34Å; L87-V90 PolarHBondContact O-N 3.43Å; L87-I91 WeakPolarHBondContact O-CD1 3.29Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.22Å; L87-I91 PolarHBondContact O-N 3.27Å; L87-L119 HydrophobicContact CB-CD1 3.92Å; L87-L119 HydrophobicContact CB-CD2 4.37Å; L87-L119 HydrophobicContact CD1-CD2 3.94Å
88	T	94.9	Very high	92.6	Very high	36 Å²	36	34.4 Å²	34.4	22%	0.221	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-46.1	179.9	-62.4	0	0	0	0	111.6	A84 W85 I91 R92	A84-T88 WeakPolarHBondContact O-CB 3.49Å; A84-T88 PolarHBondContact O-N 3.15Å; A84-T88 PolarHBondContact O-OG1 3.11Å; W85-T88 PolarHBondContact O-N 3.36Å; T88-I91 PolarHBondContact O-N 3.13Å; T88-R92 HydrophobicContact CG2-CG 4.2Å; T88-R92 WeakPolarHBondContact O-CB 3.39Å; T88-R92 VanDerWaalsContact O-CG 3.26Å; T88-R92 WeakPolarHBondContact O-CG 3.24Å; T88-R92 PolarHBondContact O-N 3.05Å
89	E	92.2	Very high	92.1	Very high	18 Å²	18	35.9 Å²	35.9	8%	0.084	21%	0.205	C	C	.	.	H	α-helix	trans	-68.8	-41.3	-178.4	-71.9	-50.1	140.9	0	0	112.9	R58 W85 L87 I91 R92 Y93	R58-E89 IonicContact CZ-OE1 3.42Å; R58-E89 IonicContact NH1-OE1 3.89Å; R58-E89 PolarHBondContact NH1-OE1 2.82Å; R58-E89 IonicContact NH2-OE1 2.86Å; R58-E89 PolarHBondContact NH2-OE1 2.89Å; W85-E89 WeakPolarHBondContact O-CB 3.39Å; W85-E89 WeakPolarHBondContact O-CG 3.49Å; W85-E89 PolarHBondContact O-N 3.03Å; L87-E89 PolarHBondContact O-N 3.34Å; E89-I91 VanDerWaalsContact C-N 3.26Å; E89-I91 PolarHBondContact O-N 3.47Å; E89-R92 PolarHBondContact O-N 3.36Å; E89-Y93 HydrophobicContact CB-CD2 4.12Å; E89-Y93 HydrophobicContact CB-CE2 4Å; E89-Y93 HydrophobicContact CG-CE2 4.24Å; E89-Y93 WeakPolarHBondContact O-CB 2.96Å; E89-Y93 WeakPolarHBondContact O-CD2 3.43Å; E89-Y93 PolarHBondContact O-N 3.43Å; E89-Y93 WeakPolarHBondContact OE2-CE2 3.38Å; E89-Y93 PolarHBondContact OE2-OH 3.18Å
90	V	93.8	Very high	91.5	Very high	90 Å²	90	39.3 Å²	39.3	55%	0.545	22%	0.222	S	C	.	.	H	α-helix	trans	-56.3	-45.2	174.8	169	0	0	0	0	110.4	S86 L87 S94	S86-V90 VanDerWaalsContact O-CG2 3.27Å; S86-V90 WeakPolarHBondContact O-CG2 3.46Å; S86-V90 PolarHBondContact O-N 2.79Å; S86-V90 VanDerWaalsContact O-N 3.14Å; L87-V90 PolarHBondContact O-N 3.43Å; V90-S94 WeakPolarHBondContact O-CB 3.48Å; V90-S94 PolarHBondContact O-N 2.99Å; V90-S94 VanDerWaalsContact O-N 3.16Å; V90-S94 PolarHBondContact O-OG 3.31Å
91	I	93.7	Very high	91.1	Very high	21 Å²	21	43.1 Å²	43.1	11%	0.108	25%	0.246	C	C	.	.	H	α-helix	trans	-68.7	-45	179	-64.1	159.8	0	0	0	111.2	L87 T88 E89 F95 L108 L111 R112 L115	L87-I91 WeakPolarHBondContact O-CD1 3.29Å; L87-I91 VanDerWaalsContact O-CG1 3.31Å; L87-I91 WeakPolarHBondContact O-CG1 3.22Å; L87-I91 PolarHBondContact O-N 3.27Å; T88-I91 PolarHBondContact O-N 3.13Å; E89-I91 VanDerWaalsContact C-N 3.26Å; E89-I91 PolarHBondContact O-N 3.47Å; I91-F95 WeakPolarHBondContact O-CB 3.14Å; I91-F95 PolarHBondContact O-N 3.44Å; I91-L108 HydrophobicContact CG2-CD1 4.33Å; I91-L111 HydrophobicContact CG2-CB 4.12Å; I91-R112 HydrophobicContact CG2-CB 3.97Å; I91-L115 HydrophobicContact CD1-CB 4.48Å; I91-L115 HydrophobicContact CD1-CD1 3.43Å; I91-L115 VanDerWaalsContact CD1-CD1 3.43Å
92	R	91.6	Very high	90.3	Very high	30 Å²	30	50.1 Å²	50.1	11%	0.113	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-52.4	-177.2	-78.2	174.1	70.4	133.3	-1.8	111.9	E35 T88 E89 S94 F95 Y96	E35-R92 IonicContact OE1-CZ 2.64Å; E35-R92 IonicContact OE1-NE 3.65Å; E35-R92 IonicContact OE1-NH2 2.88Å; E35-R92 PolarHBondContact OE1-NH2 3.43Å; E35-R92 IonicContact OE2-CZ 2.66Å; E35-R92 IonicContact OE2-NH2 3.21Å; E35-R92 PolarHBondContact OE2-NH2 3.19Å; T88-R92 HydrophobicContact CG2-CG 4.2Å; T88-R92 WeakPolarHBondContact O-CB 3.39Å; T88-R92 VanDerWaalsContact O-CG 3.26Å; T88-R92 WeakPolarHBondContact O-CG 3.24Å; T88-R92 PolarHBondContact O-N 3.05Å; E89-R92 PolarHBondContact O-N 3.36Å; R92-S94 VanDerWaalsContact C-N 3.34Å; R92-F95 WeakPolarHBondContact O-CB 3.48Å; R92-F95 PolarHBondContact O-N 3Å; R92-F95 VanDerWaalsContact O-N 3.17Å; R92-Y96 HydrophobicContact CB-CE2 4.2Å; R92-Y96 VanDerWaalsContact O-CD2 3.23Å; R92-Y96 WeakPolarHBondContact O-CD2 3.31Å; R92-Y96 PolarHBondContact O-N 2.79Å
93	Y	90.5	Very high	89.7	Confident	90 Å²	90	56.8 Å²	56.8	35%	0.353	31%	0.312	S	S	.	.	H	α-helix	trans	-67.3	-37.8	-178.5	-67.3	-45.8	0	0	0	111.7	E35 E89 F95 Y96 A97	E35-Y93 HydrophobicContact CG-CE1 4.5Å; E89-Y93 HydrophobicContact CB-CD2 4.12Å; E89-Y93 HydrophobicContact CB-CE2 4Å; E89-Y93 HydrophobicContact CG-CE2 4.24Å; E89-Y93 WeakPolarHBondContact O-CB 2.96Å; E89-Y93 WeakPolarHBondContact O-CD2 3.43Å; E89-Y93 PolarHBondContact O-N 3.43Å; E89-Y93 WeakPolarHBondContact OE2-CE2 3.38Å; E89-Y93 PolarHBondContact OE2-OH 3.18Å; Y93-F95 VanDerWaalsContact C-N 3.29Å; Y93-F95 PolarHBondContact O-N 3.22Å; Y93-Y96 HydrophobicContact CD1-CD2 4.18Å; Y93-Y96 PolarHBondContact O-N 2.71Å; Y93-A97 VanDerWaalsContact O-CB 3.32Å; Y93-A97 WeakPolarHBondContact O-CB 3.26Å; Y93-A97 PolarHBondContact O-N 2.85Å
94	S	91.9	Very high	89.3	Confident	55 Å²	55	57 Å²	57	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-58.1	-44.4	171.6	-61.1	0	0	0	0	111.3	V90 R92 A97 S98	V90-S94 WeakPolarHBondContact O-CB 3.48Å; V90-S94 PolarHBondContact O-N 2.99Å; V90-S94 VanDerWaalsContact O-N 3.16Å; V90-S94 PolarHBondContact O-OG 3.31Å; R92-S94 VanDerWaalsContact C-N 3.34Å; S94-A97 PolarHBondContact O-N 2.88Å; S94-S98 WeakPolarHBondContact O-CB 3.47Å; S94-S98 PolarHBondContact O-N 2.94Å; S94-S98 PolarHBondContact O-OG 3.01Å
95	F	90.1	Very high	88.9	Confident	25 Å²	25	59.2 Å²	59.2	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-41.7	178.9	179.8	-90.2	0	0	0	112.5	I91 R92 Y93 S98 G99 T104 L108 L109 R112 Y113 M187	I91-F95 WeakPolarHBondContact O-CB 3.14Å; I91-F95 PolarHBondContact O-N 3.44Å; R92-F95 WeakPolarHBondContact O-CB 3.48Å; R92-F95 PolarHBondContact O-N 3Å; R92-F95 VanDerWaalsContact O-N 3.17Å; Y93-F95 VanDerWaalsContact C-N 3.29Å; Y93-F95 PolarHBondContact O-N 3.22Å; F95-S98 PolarHBondContact O-OG 3.14Å; F95-G99 PolarHBondContact O-N 2.86Å; F95-T104 HydrophobicContact CD2-CG2 3.7Å; F95-T104 HydrophobicContact CE2-CG2 3.42Å; F95-T104 VanDerWaalsContact CE2-CG2 3.42Å; F95-T104 HydrophobicContact CZ-CG2 4.25Å; F95-L108 HydrophobicContact CB-CD2 4.26Å; F95-L108 HydrophobicContact CB-CG 4.07Å; F95-L108 HydrophobicContact CD2-CG 4.26Å; F95-L109 HydrophobicContact CE2-CB 4.11Å; F95-L109 HydrophobicContact CE2-CD1 3.57Å; F95-L109 HydrophobicContact CE2-CG 4.48Å; F95-L109 HydrophobicContact CZ-CD1 3.92Å; F95-R112 HydrophobicContact CD2-CB 4.41Å; F95-Y113 HydrophobicContact CZ-CE2 4.29Å; F95-M187 HydrophobicContact CZ-CE 4.06Å
96	Y	87.8	Confident	88.6	Confident	23 Å²	23	65.3 Å²	65.3	9%	0.09	35%	0.354	C	S	.	.	H	α-helix	trans	-67.3	-42.7	177	-62.2	-40.4	0	0	0	111.8	E35 V44 R92 Y93 S98 G99 Q100 R112	E35-Y96 HydrophobicContact CG-CE2 4.42Å; E35-Y96 WeakPolarHBondContact OE1-CE2 3.23Å; E35-Y96 PolarHBondContact OE1-OH 2.98Å; E35-Y96 VanDerWaalsContact OE1-OH 3.05Å; V44-Y96 HydrophobicContact CG1-CD1 3.55Å; V44-Y96 HydrophobicContact CG1-CD2 4.2Å; V44-Y96 HydrophobicContact CG1-CE1 3.51Å; V44-Y96 HydrophobicContact CG1-CE2 4.19Å; V44-Y96 HydrophobicContact CG1-CG 3.89Å; R92-Y96 HydrophobicContact CB-CE2 4.2Å; R92-Y96 VanDerWaalsContact O-CD2 3.23Å; R92-Y96 WeakPolarHBondContact O-CD2 3.31Å; R92-Y96 PolarHBondContact O-N 2.79Å; Y93-Y96 HydrophobicContact CD1-CD2 4.18Å; Y93-Y96 PolarHBondContact O-N 2.71Å; Y96-S98 PolarHBondContact O-N 3.45Å; Y96-G99 PolarHBondContact O-N 3.42Å; Y96-G99 VanDerWaalsContact O-N 3.14Å; Y96-Q100 WeakPolarHBondContact O-CG 3.16Å; Y96-Q100 PolarHBondContact O-N 3.31Å; Y96-R112 VanDerWaalsContact CE1-NH2 3.3Å; Y96-R112 PolarHBondContact OH-NH2 2.87Å
97	A	88.5	Confident	88.4	Confident	59 Å²	59	69.3 Å²	69.3	49%	0.488	37%	0.372	S	S	.	.	H	α-helix	trans	-60.4	-45.1	176.1	0	0	0	0	0	111.5	Y93 S94 G99 Q100	Y93-A97 VanDerWaalsContact O-CB 3.32Å; Y93-A97 WeakPolarHBondContact O-CB 3.26Å; Y93-A97 PolarHBondContact O-N 2.85Å; S94-A97 PolarHBondContact O-N 2.88Å; A97-G99 PolarHBondContact O-N 2.75Å; A97-Q100 PolarHBondContact O-N 2.99Å; A97-Q100 VanDerWaalsContact O-N 3.12Å
98	S	86.7	Confident	88.2	Confident	18 Å²	18	67 Å²	67	13%	0.126	36%	0.36	C	S	.	.	H	α-helix	trans	-63.3	-32.4	176.2	75.1	0	0	0	0	112.4	S94 F95 Y96 Q100 V101 F103 T104	S94-S98 WeakPolarHBondContact O-CB 3.47Å; S94-S98 PolarHBondContact O-N 2.94Å; S94-S98 PolarHBondContact O-OG 3.01Å; F95-S98 PolarHBondContact O-OG 3.14Å; Y96-S98 PolarHBondContact O-N 3.45Å; S98-Q100 VanDerWaalsContact C-N 3.32Å; S98-Q100 PolarHBondContact O-N 2.8Å; S98-V101 PolarHBondContact O-N 2.88Å; S98-F103 CarbonylContact C-O 3.5Å; S98-F103 VanDerWaalsContact CB-O 3.24Å; S98-F103 WeakPolarHBondContact CB-O 3.46Å; S98-F103 CarbonylContact O-C 3.56Å; S98-F103 PolarHBondContact O-N 3.08Å; S98-T104 PolarHBondContact OG-OG1 2.99Å
99	G	81.9	Confident	88	Confident	31 Å²	31	66.1 Å²	66.1	32%	0.32	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-32.3	174.3	0	0	0	0	0	113.8	F95 Y96 A97 N102	F95-G99 PolarHBondContact O-N 2.86Å; Y96-G99 PolarHBondContact O-N 3.42Å; Y96-G99 VanDerWaalsContact O-N 3.14Å; A97-G99 PolarHBondContact O-N 2.75Å; G99-N102 PolarHBondContact O-N 2.88Å
100	Q	81	Confident	88	Confident	114 Å²	114	70.6 Å²	70.6	53%	0.533	37%	0.37	S	S	.	.	H	α-helix	trans	-72	-29.7	178.4	-60.1	-56.7	-41.4	0	0	112.8	V43 Y96 A97 S98 N102	V43-Q100 PolarHBondContact O-NE2 3.36Å; Y96-Q100 WeakPolarHBondContact O-CG 3.16Å; Y96-Q100 PolarHBondContact O-N 3.31Å; A97-Q100 PolarHBondContact O-N 2.99Å; A97-Q100 VanDerWaalsContact O-N 3.12Å; S98-Q100 VanDerWaalsContact C-N 3.32Å; S98-Q100 PolarHBondContact O-N 2.8Å; Q100-N102 PolarHBondContact O-N 2.68Å
101	V	85.3	Confident	88	Confident	115 Å²	115	68.3 Å²	68.3	70%	0.697	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	12.2	177.1	-163	0	0	0	0	111.4	S98 F103	S98-V101 PolarHBondContact O-N 2.88Å; V101-F103 PolarHBondContact O-N 3.29Å
102	N	78.3	Confident	87.9	Confident	148 Å²	148	68.5 Å²	68.5	79%	0.791	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	18.9	-176.6	-64.5	-54.2	0	0	0	114.8	G99 Q100	G99-N102 PolarHBondContact O-N 2.88Å; Q100-N102 PolarHBondContact O-N 2.68Å
103	F	82.1	Confident	88	Confident	147 Å²	147	67.5 Å²	67.5	65%	0.645	35%	0.35	S	S	*	.			trans	-129.7	100.5	179.7	-179.8	-102.7	0	0	0	109.8	S98 V101 P105	S98-F103 CarbonylContact C-O 3.5Å; S98-F103 VanDerWaalsContact CB-O 3.24Å; S98-F103 WeakPolarHBondContact CB-O 3.46Å; S98-F103 CarbonylContact O-C 3.56Å; S98-F103 PolarHBondContact O-N 3.08Å; V101-F103 PolarHBondContact O-N 3.29Å; F103-P105 HydrophobicContact CE1-CB 4.4Å
104	T	84.4	Confident	88.1	Confident	55 Å²	55	64 Å²	64	34%	0.337	34%	0.338	S	S	.	.			trans	-110	107.3	177.5	-58.2	0	0	0	0	109.8	F95 S98 L109	F95-T104 HydrophobicContact CD2-CG2 3.7Å; F95-T104 HydrophobicContact CE2-CG2 3.42Å; F95-T104 VanDerWaalsContact CE2-CG2 3.42Å; F95-T104 HydrophobicContact CZ-CG2 4.25Å; S98-T104 PolarHBondContact OG-OG1 2.99Å; T104-L109 HydrophobicContact CG2-CB 4.44Å
105	P	88.4	Confident	88.3	Confident	48 Å²	48	64.3 Å²	64.3	31%	0.312	34%	0.336	S	S	.	.			trans	-63.5	139.9	179.5	23.7	-30.3	0	0	0	110.5	F103 L107 L108 L109	F103-P105 HydrophobicContact CE1-CB 4.4Å; P105-L107 PolarHBondContact O-N 3.3Å; P105-L108 HydrophobicContact CG-CB 3.82Å; P105-L108 HydrophobicContact CG-CD2 4.2Å; P105-L108 WeakPolarHBondContact O-CB 3.34Å; P105-L108 PolarHBondContact O-N 2.92Å; P105-L109 PolarHBondContact O-N 3.42Å; P105-L109 VanDerWaalsContact O-N 3.15Å
106	Y	88.1	Confident	88.4	Confident	140 Å²	140	63.8 Å²	63.8	55%	0.549	33%	0.333	S	S	.	.	H	α-helix	trans	-58.1	-36	-176.9	178	-103	0	0	0	112.5	L108 L109 W110 L188	Y106-L108 VanDerWaalsContact C-N 3.29Å; Y106-L108 PolarHBondContact O-N 3.22Å; Y106-L109 HydrophobicContact CD2-CD2 4.22Å; Y106-L109 WeakPolarHBondContact O-CB 3.33Å; Y106-L109 PolarHBondContact O-N 2.9Å; Y106-W110 HydrophobicContact CE1-CB 4.32Å; Y106-W110 VanDerWaalsContact O-CB 3.3Å; Y106-W110 WeakPolarHBondContact O-CB 3.24Å; Y106-W110 PolarHBondContact O-N 3.4Å; Y106-L188 HydrophobicContact CE2-CD2 4.46Å
107	L	90.6	Very high	88.7	Confident	121 Å²	121	65.5 Å²	65.5	63%	0.634	34%	0.344	S	S	*	.	H	α-helix	trans	-58.1	-42.2	176.1	-178.1	143.2	0	0	0	111.7	P105 W110 L111	P105-L107 PolarHBondContact O-N 3.3Å; L107-W110 PolarHBondContact O-N 3.45Å; L107-L111 HydrophobicContact CD2-CD1 3.5Å; L107-L111 HydrophobicContact CD2-CG 4.18Å; L107-L111 HydrophobicContact CG-CD1 4.39Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 3.33Å
108	L	90.7	Very high	89.1	Confident	23 Å²	23	67.4 Å²	67.4	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-71.7	-38.9	180	-172.7	60.7	0	0	0	112.1	I91 F95 P105 Y106 W110 L111 R112	I91-L108 HydrophobicContact CG2-CD1 4.33Å; F95-L108 HydrophobicContact CB-CD2 4.26Å; F95-L108 HydrophobicContact CB-CG 4.07Å; F95-L108 HydrophobicContact CD2-CG 4.26Å; P105-L108 HydrophobicContact CG-CB 3.82Å; P105-L108 HydrophobicContact CG-CD2 4.2Å; P105-L108 WeakPolarHBondContact O-CB 3.34Å; P105-L108 PolarHBondContact O-N 2.92Å; Y106-L108 VanDerWaalsContact C-N 3.29Å; Y106-L108 PolarHBondContact O-N 3.22Å; L108-W110 VanDerWaalsContact C-N 3.33Å; L108-L111 PolarHBondContact O-N 3.1Å; L108-R112 WeakPolarHBondContact O-CB 3.37Å; L108-R112 PolarHBondContact O-N 3.41Å
109	L	90.8	Very high	89.5	Confident	17 Å²	17	67.2 Å²	67.2	9%	0.089	35%	0.347	C	S	.	.	H	α-helix	trans	-57.8	-48.1	169.3	178	70.6	0	0	0	110.7	F95 T104 P105 Y106 R112 Y113 M187 L188	F95-L109 HydrophobicContact CE2-CB 4.11Å; F95-L109 HydrophobicContact CE2-CD1 3.57Å; F95-L109 HydrophobicContact CE2-CG 4.48Å; F95-L109 HydrophobicContact CZ-CD1 3.92Å; T104-L109 HydrophobicContact CG2-CB 4.44Å; P105-L109 PolarHBondContact O-N 3.42Å; P105-L109 VanDerWaalsContact O-N 3.15Å; Y106-L109 HydrophobicContact CD2-CD2 4.22Å; Y106-L109 WeakPolarHBondContact O-CB 3.33Å; Y106-L109 PolarHBondContact O-N 2.9Å; L109-R112 PolarHBondContact O-N 3.34Å; L109-Y113 HydrophobicContact CD1-CD2 3.7Å; L109-Y113 HydrophobicContact CD1-CE2 3.68Å; L109-Y113 HydrophobicContact CG-CD2 4.39Å; L109-Y113 VanDerWaalsContact O-CD2 3.3Å; L109-Y113 WeakPolarHBondContact O-CD2 3.37Å; L109-Y113 PolarHBondContact O-N 3.13Å; L109-Y113 VanDerWaalsContact O-N 3.16Å; L109-M187 HydrophobicContact CD1-CB 4.34Å; L109-M187 HydrophobicContact CD1-CE 3.48Å; L109-M187 VanDerWaalsContact CD1-CE 3.48Å; L109-L188 HydrophobicContact CD2-CD2 4.17Å; L109-L188 HydrophobicContact CG-CD2 4Å
110	W	92.6	Very high	90.1	Very high	113 Å²	113	67.9 Å²	67.9	43%	0.428	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-44.9	-179.6	-179	88.7	0	0	0	112	Y106 L107 L108 R112 Y113 S114	Y106-W110 HydrophobicContact CE1-CB 4.32Å; Y106-W110 VanDerWaalsContact O-CB 3.3Å; Y106-W110 WeakPolarHBondContact O-CB 3.24Å; Y106-W110 PolarHBondContact O-N 3.4Å; L107-W110 PolarHBondContact O-N 3.45Å; L108-W110 VanDerWaalsContact C-N 3.33Å; W110-R112 PolarHBondContact O-N 3.36Å; W110-Y113 CarbonylContact O-C 3.38Å; W110-Y113 PolarHBondContact O-N 2.97Å; W110-S114 PolarHBondContact NE1-OG 3.38Å; W110-S114 WeakPolarHBondContact O-CB 3.31Å; W110-S114 PolarHBondContact O-N 3.44Å; W110-S114 PolarHBondContact O-OG 3.41Å
111	L	93.8	Very high	90.9	Very high	42 Å²	42	64.2 Å²	64.2	22%	0.22	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-49.4	176.7	-74.4	173.7	0	0	0	111.1	I91 L107 L108 Y113 S114 L115	I91-L111 HydrophobicContact CG2-CB 4.12Å; L107-L111 HydrophobicContact CD2-CD1 3.5Å; L107-L111 HydrophobicContact CD2-CG 4.18Å; L107-L111 HydrophobicContact CG-CD1 4.39Å; L107-L111 WeakPolarHBondContact O-CB 3.3Å; L107-L111 VanDerWaalsContact O-CG 3.25Å; L107-L111 WeakPolarHBondContact O-CG 3.43Å; L107-L111 PolarHBondContact O-N 3.33Å; L108-L111 PolarHBondContact O-N 3.1Å; L111-Y113 VanDerWaalsContact C-N 3.32Å; L111-Y113 PolarHBondContact O-N 2.82Å; L111-S114 PolarHBondContact O-N 2.95Å; L111-L115 HydrophobicContact CB-CD1 4.34Å; L111-L115 HydrophobicContact CD2-CD1 3.6Å; L111-L115 HydrophobicContact CD2-CG 4.11Å; L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 PolarHBondContact O-N 3.37Å
112	R	91.7	Very high	91.4	Very high	25 Å²	25	61.4 Å²	61.4	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-55.4	-45.8	179.2	176.3	178.3	175.9	107.7	4	112.3	I91 F95 Y96 L108 L109 W110	I91-R112 HydrophobicContact CG2-CB 3.97Å; F95-R112 HydrophobicContact CD2-CB 4.41Å; Y96-R112 VanDerWaalsContact CE1-NH2 3.3Å; Y96-R112 PolarHBondContact OH-NH2 2.87Å; L108-R112 WeakPolarHBondContact O-CB 3.37Å; L108-R112 PolarHBondContact O-N 3.41Å; L109-R112 PolarHBondContact O-N 3.34Å; W110-R112 PolarHBondContact O-N 3.36Å
113	Y	93	Very high	92.2	Very high	9 Å²	9	54.5 Å²	54.5	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-96.5	8.5	-175.6	-67.8	-75.7	0	0	0	114.2	F95 L109 W110 L111 F116 Q183 R184 M187	F95-Y113 HydrophobicContact CZ-CE2 4.29Å; L109-Y113 HydrophobicContact CD1-CD2 3.7Å; L109-Y113 HydrophobicContact CD1-CE2 3.68Å; L109-Y113 HydrophobicContact CG-CD2 4.39Å; L109-Y113 VanDerWaalsContact O-CD2 3.3Å; L109-Y113 WeakPolarHBondContact O-CD2 3.37Å; L109-Y113 PolarHBondContact O-N 3.13Å; L109-Y113 VanDerWaalsContact O-N 3.16Å; W110-Y113 CarbonylContact O-C 3.38Å; W110-Y113 PolarHBondContact O-N 2.97Å; L111-Y113 VanDerWaalsContact C-N 3.32Å; L111-Y113 PolarHBondContact O-N 2.82Å; Y113-F116 WeakPolarHBondContact O-CD1 3.33Å; Y113-F116 WeakPolarHBondContact O-CE1 3.49Å; Y113-Q183 HydrophobicContact CD1-CB 4.31Å; Y113-Q183 HydrophobicContact CE1-CB 3.83Å; Y113-R184 HydrophobicContact CD1-CB 4.42Å; Y113-R184 WeakPolarHBondContact O-CD 3.18Å; Y113-R184 WeakPolarHBondContact O-CG 3.2Å; Y113-R184 PolarHBondContact O-NE 3.21Å; Y113-M187 HydrophobicContact CD1-CG 4.15Å; Y113-M187 HydrophobicContact CD2-CB 4Å; Y113-M187 HydrophobicContact CD2-CE 4.37Å; Y113-M187 HydrophobicContact CD2-CG 4.11Å; Y113-M187 HydrophobicContact CE1-CG 3.72Å; Y113-M187 HydrophobicContact CE1-SD 4.38Å; Y113-M187 HydrophobicContact CE2-CB 4.04Å; Y113-M187 HydrophobicContact CE2-CE 3.45Å; Y113-M187 VanDerWaalsContact CE2-CE 3.45Å; Y113-M187 HydrophobicContact CE2-CG 3.72Å; Y113-M187 HydrophobicContact CE2-SD 3.98Å; Y113-M187 HydrophobicContact CG-CB 4.27Å; Y113-M187 HydrophobicContact CG-CG 4.33Å; Y113-M187 VanDerWaalsContact CZ-CG 3.48Å; Y113-M187 PolarHBondContact OH-SD 3.19Å; Y113-M187 VanDerWaalsContact OH-SD 3.39Å
114	S	93.4	Very high	92.9	Very high	15 Å²	15	48.2 Å²	48.2	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-120	-43.5	175	-55.8	0	0	0	0	111.7	W110 L111 F116 L117	W110-S114 PolarHBondContact NE1-OG 3.38Å; W110-S114 WeakPolarHBondContact O-CB 3.31Å; W110-S114 PolarHBondContact O-N 3.44Å; W110-S114 PolarHBondContact O-OG 3.41Å; L111-S114 PolarHBondContact O-N 2.95Å; S114-F116 VanDerWaalsContact C-N 3.25Å; S114-F116 PolarHBondContact O-N 3.23Å; S114-L117 WeakPolarHBondContact O-CB 3.48Å; S114-L117 WeakPolarHBondContact O-CG 3.48Å; S114-L117 PolarHBondContact O-N 3.31Å
115	L	94.5	Very high	93.5	Very high	62 Å²	62	48.8 Å²	48.8	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-69.1	-23	-176.8	-68.6	-178	0	0	0	113.4	I91 L111 L117 V118 L119	I91-L115 HydrophobicContact CD1-CB 4.48Å; I91-L115 HydrophobicContact CD1-CD1 3.43Å; I91-L115 VanDerWaalsContact CD1-CD1 3.43Å; L111-L115 HydrophobicContact CB-CD1 4.34Å; L111-L115 HydrophobicContact CD2-CD1 3.6Å; L111-L115 HydrophobicContact CD2-CG 4.11Å; L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 PolarHBondContact O-N 3.37Å; L115-L117 PolarHBondContact O-N 3.35Å; L115-L117 VanDerWaalsContact O-N 3.14Å; L115-V118 PolarHBondContact O-N 3.08Å; L115-V118 VanDerWaalsContact O-N 3.1Å; L115-L119 HydrophobicContact CB-CD1 3.84Å; L115-L119 HydrophobicContact CB-CG 4.31Å; L115-L119 WeakPolarHBondContact O-CB 3.34Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 3.47Å
116	F	93.4	Very high	93.8	Very high	14 Å²	14	46.5 Å²	46.5	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-27	174.5	87.3	-92.5	0	0	0	112.3	Y113 S114 V118 Y120 Y177 M180 I181 R184	Y113-F116 WeakPolarHBondContact O-CD1 3.33Å; Y113-F116 WeakPolarHBondContact O-CE1 3.49Å; S114-F116 VanDerWaalsContact C-N 3.25Å; S114-F116 PolarHBondContact O-N 3.23Å; F116-V118 PolarHBondContact O-N 3.2Å; F116-Y120 WeakPolarHBondContact O-CB 3.11Å; F116-Y120 PolarHBondContact O-N 3.2Å; F116-Y177 HydrophobicContact CD2-CD2 4.38Å; F116-Y177 HydrophobicContact CD2-CE2 4.13Å; F116-Y177 HydrophobicContact CE2-CD2 4.3Å; F116-Y177 HydrophobicContact CE2-CE2 4Å; F116-M180 HydrophobicContact CB-CE 4.34Å; F116-M180 HydrophobicContact CD1-CE 4.29Å; F116-M180 HydrophobicContact CD2-CB 3.63Å; F116-M180 HydrophobicContact CD2-CG 4.37Å; F116-M180 HydrophobicContact CE1-CB 4.37Å; F116-M180 HydrophobicContact CE2-CB 3.4Å; F116-M180 VanDerWaalsContact CE2-CB 3.4Å; F116-M180 HydrophobicContact CG-CB 4.24Å; F116-M180 HydrophobicContact CG-CE 4.14Å; F116-M180 HydrophobicContact CZ-CB 3.82Å; F116-I181 HydrophobicContact CE2-CG1 4.04Å; F116-I181 HydrophobicContact CZ-CG1 3.93Å; F116-R184 HydrophobicContact CE1-CB 3.98Å; F116-R184 HydrophobicContact CE1-CG 4.43Å; F116-R184 HydrophobicContact CZ-CB 4.33Å
117	L	94.1	Very high	94.3	Very high	59 Å²	59	40.6 Å²	40.6	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-59.5	-32.1	178.8	-65.3	172.4	0	0	0	112	S114 L115 P121 Y177 I181	S114-L117 WeakPolarHBondContact O-CB 3.48Å; S114-L117 WeakPolarHBondContact O-CG 3.48Å; S114-L117 PolarHBondContact O-N 3.31Å; L115-L117 PolarHBondContact O-N 3.35Å; L115-L117 VanDerWaalsContact O-N 3.14Å; L117-P121 VanDerWaalsContact O-CD 3.31Å; L117-P121 WeakPolarHBondContact O-CD 3.23Å; L117-P121 WeakPolarHBondContact O-CG 3.37Å; L117-Y177 WeakPolarHBondContact CD2-OH 3.11Å; L117-Y177 PolarHBondContact O-OH 3.31Å; L117-I181 HydrophobicContact CD2-CG1 4.22Å
118	V	96.2	Very high	94.5	Very high	99 Å²	99	36.8 Å²	36.8	60%	0.6	19%	0.19	S	C	*	.	H	α-helix	trans	-102.1	-48	179.1	-179.5	0	0	0	0	110.9	L115 F116 Y120 P121 L122	L115-V118 PolarHBondContact O-N 3.08Å; L115-V118 VanDerWaalsContact O-N 3.1Å; F116-V118 PolarHBondContact O-N 3.2Å; V118-Y120 VanDerWaalsContact C-N 3.31Å; V118-Y120 PolarHBondContact O-N 3.23Å; V118-P121 WeakPolarHBondContact O-CD 3.35Å; V118-L122 VanDerWaalsContact O-CB 3.24Å; V118-L122 WeakPolarHBondContact O-CB 2.97Å; V118-L122 PolarHBondContact O-N 3.39Å
119	L	95.8	Very high	94.8	Very high	15 Å²	15	39.5 Å²	39.5	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-30.4	-174.5	-64.1	178.8	0	0	0	112.7	L87 L115 L122 G123	L87-L119 HydrophobicContact CB-CD1 3.92Å; L87-L119 HydrophobicContact CB-CD2 4.37Å; L87-L119 HydrophobicContact CD1-CD2 3.94Å; L115-L119 HydrophobicContact CB-CD1 3.84Å; L115-L119 HydrophobicContact CB-CG 4.31Å; L115-L119 WeakPolarHBondContact O-CB 3.34Å; L115-L119 WeakPolarHBondContact O-CG 3.42Å; L115-L119 PolarHBondContact O-N 3.47Å; L119-L122 HydrophobicContact CD2-CD2 4.44Å; L119-G123 PolarHBondContact O-N 3.09Å
120	Y	94.6	Very high	95	Very high	44 Å²	44	38.7 Å²	38.7	17%	0.173	20%	0.2	C	C	.	.	H	α-helix	trans	-72.1	-51	-178.3	-162.6	-82.4	0	0	0	111.5	F116 V118 L122 G123 V124 F173 L176 Y177	F116-Y120 WeakPolarHBondContact O-CB 3.11Å; F116-Y120 PolarHBondContact O-N 3.2Å; V118-Y120 VanDerWaalsContact C-N 3.31Å; V118-Y120 PolarHBondContact O-N 3.23Å; Y120-L122 VanDerWaalsContact C-N 3.31Å; Y120-L122 PolarHBondContact O-N 3.34Å; Y120-G123 PolarHBondContact O-N 2.64Å; Y120-V124 HydrophobicContact CD1-CG2 4.34Å; Y120-V124 HydrophobicContact CE1-CG2 4.13Å; Y120-V124 WeakPolarHBondContact O-CG2 3.4Å; Y120-V124 PolarHBondContact O-N 2.97Å; Y120-F173 AromaticContact CD1-CD2 3.84Å; Y120-F173 HydrophobicContact CD1-CD2 3.84Å; Y120-F173 AromaticContact CD1-CE2 3.43Å; Y120-F173 HydrophobicContact CD1-CE2 3.43Å; Y120-F173 VanDerWaalsContact CD1-CE2 3.43Å; Y120-F173 HydrophobicContact CD1-CZ 4.4Å; Y120-F173 AromaticContact CE1-CD2 3.45Å; Y120-F173 HydrophobicContact CE1-CD2 3.45Å; Y120-F173 VanDerWaalsContact CE1-CD2 3.45Å; Y120-F173 AromaticContact CE1-CE2 3.59Å; Y120-F173 HydrophobicContact CE1-CE2 3.59Å; Y120-L176 VanDerWaalsContact OH-CB 3.24Å; Y120-L176 WeakPolarHBondContact OH-CB 3.41Å; Y120-L176 WeakPolarHBondContact OH-CD1 3.5Å; Y120-Y177 AromaticContact CD1-CD2 3.88Å; Y120-Y177 HydrophobicContact CD1-CD2 3.88Å; Y120-Y177 HydrophobicContact CG-CD2 4.34Å
121	P	96.2	Very high	95.2	Very high	38 Å²	38	33.3 Å²	33.3	25%	0.247	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-39.6	169.1	-24.1	34.1	0	0	0	113.2	L117 V118 G123 V124 T125 F173 Y177	L117-P121 VanDerWaalsContact O-CD 3.31Å; L117-P121 WeakPolarHBondContact O-CD 3.23Å; L117-P121 WeakPolarHBondContact O-CG 3.37Å; V118-P121 WeakPolarHBondContact O-CD 3.35Å; P121-G123 PolarHBondContact O-N 3.14Å; P121-V124 PolarHBondContact O-N 2.72Å; P121-T125 WeakPolarHBondContact O-CB 3.45Å; P121-T125 VanDerWaalsContact O-CG2 3.23Å; P121-T125 WeakPolarHBondContact O-CG2 3.29Å; P121-T125 PolarHBondContact O-N 3.45Å; P121-T125 PolarHBondContact O-OG1 3.04Å; P121-F173 HydrophobicContact CB-CZ 4.38Å; P121-F173 HydrophobicContact CG-CZ 4.3Å; P121-Y177 HydrophobicContact CG-CE2 4.07Å
122	L	96.2	Very high	95.3	Very high	55 Å²	55	35.8 Å²	35.8	29%	0.288	19%	0.189	S	C	.	.	H	α-helix	trans	-62.3	-42.9	178.5	-169.2	69.6	0	0	0	112.3	L80 A84 V118 L119 Y120 T125 G126	L80-L122 HydrophobicContact CD2-CD1 3.92Å; A84-L122 HydrophobicContact CB-CB 4.35Å; A84-L122 HydrophobicContact CB-CD2 4.24Å; A84-L122 HydrophobicContact CB-CG 4.33Å; V118-L122 VanDerWaalsContact O-CB 3.24Å; V118-L122 WeakPolarHBondContact O-CB 2.97Å; V118-L122 PolarHBondContact O-N 3.39Å; L119-L122 HydrophobicContact CD2-CD2 4.44Å; Y120-L122 VanDerWaalsContact C-N 3.31Å; Y120-L122 PolarHBondContact O-N 3.34Å; L122-T125 WeakPolarHBondContact CA-OG1 3.18Å; L122-T125 PolarHBondContact O-OG1 3.11Å; L122-G126 PolarHBondContact O-N 3.1Å
123	G	96.3	Very high	95.5	Very high	4 Å²	4	36.3 Å²	36.3	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-51.9	176	0	0	0	0	0	111.6	L119 Y120 P121 T125 G126 E127	L119-G123 PolarHBondContact O-N 3.09Å; Y120-G123 PolarHBondContact O-N 2.64Å; P121-G123 PolarHBondContact O-N 3.14Å; G123-T125 PolarHBondContact O-N 2.87Å; G123-G126 CarbonylContact O-C 3.55Å; G123-G126 WeakPolarHBondContact O-CA 3.33Å; G123-G126 PolarHBondContact O-N 3.42Å; G123-G126 VanDerWaalsContact O-N 3.11Å; G123-E127 VanDerWaalsContact O-CG 3.29Å; G123-E127 WeakPolarHBondContact O-CG 3.48Å; G123-E127 PolarHBondContact O-N 3.01Å
124	V	95.9	Very high	95.5	Very high	15 Å²	15	35.9 Å²	35.9	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-65.3	-39.2	-178	169.4	0	0	0	0	112.8	Y120 P121 G126 E127 L128 Y169 F173	Y120-V124 HydrophobicContact CD1-CG2 4.34Å; Y120-V124 HydrophobicContact CE1-CG2 4.13Å; Y120-V124 WeakPolarHBondContact O-CG2 3.4Å; Y120-V124 PolarHBondContact O-N 2.97Å; P121-V124 PolarHBondContact O-N 2.72Å; V124-G126 VanDerWaalsContact C-N 3.31Å; V124-E127 PolarHBondContact O-N 3.49Å; V124-L128 HydrophobicContact CG1-CD1 4.09Å; V124-L128 HydrophobicContact CG1-CG 4.47Å; V124-L128 WeakPolarHBondContact O-CB 3.26Å; V124-L128 WeakPolarHBondContact O-CG 3.49Å; V124-L128 PolarHBondContact O-N 3.03Å; V124-Y169 HydrophobicContact CG1-CD1 3.79Å; V124-Y169 HydrophobicContact CG1-CE1 4.14Å; V124-F173 HydrophobicContact CB-CD2 3.78Å; V124-F173 HydrophobicContact CB-CE2 3.79Å; V124-F173 HydrophobicContact CG1-CD2 3.65Å; V124-F173 HydrophobicContact CG1-CE2 4Å; V124-F173 HydrophobicContact CG1-CG 4.2Å; V124-F173 HydrophobicContact CG2-CD2 3.49Å; V124-F173 VanDerWaalsContact CG2-CD2 3.49Å; V124-F173 HydrophobicContact CG2-CE2 3.75Å
125	T	96.2	Very high	95.5	Very high	67 Å²	67	36 Å²	36	41%	0.411	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-40.8	172.8	49.9	0	0	0	0	111.1	P121 L122 G123 L128 L129	P121-T125 WeakPolarHBondContact O-CB 3.45Å; P121-T125 VanDerWaalsContact O-CG2 3.23Å; P121-T125 WeakPolarHBondContact O-CG2 3.29Å; P121-T125 PolarHBondContact O-N 3.45Å; P121-T125 PolarHBondContact O-OG1 3.04Å; L122-T125 WeakPolarHBondContact CA-OG1 3.18Å; L122-T125 PolarHBondContact O-OG1 3.11Å; G123-T125 PolarHBondContact O-N 2.87Å; T125-L128 PolarHBondContact O-N 3.45Å; T125-L129 WeakPolarHBondContact O-CB 3.37Å; T125-L129 VanDerWaalsContact O-CG 3.25Å; T125-L129 WeakPolarHBondContact O-CG 3.33Å; T125-L129 PolarHBondContact O-N 3.42Å
126	G	96.3	Very high	95.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.2	-46.6	173.4	0	0	0	0	0	113.2	G77 L122 G123 V124 L129 A130	G77-G126 CarbonylContact C-O 3.49Å; G77-G126 WeakPolarHBondContact CA-O 3.2Å; G77-G126 CarbonylContact O-C 3.56Å; G77-G126 WeakPolarHBondContact O-CA 3.33Å; L122-G126 PolarHBondContact O-N 3.1Å; G123-G126 CarbonylContact O-C 3.55Å; G123-G126 WeakPolarHBondContact O-CA 3.33Å; G123-G126 PolarHBondContact O-N 3.42Å; G123-G126 VanDerWaalsContact O-N 3.11Å; V124-G126 VanDerWaalsContact C-N 3.31Å; G126-L129 PolarHBondContact O-N 2.85Å; G126-A130 WeakPolarHBondContact O-CB 3.13Å; G126-A130 PolarHBondContact O-N 3.31Å
127	E	97.1	Very high	95.3	Very high	16 Å²	16	37.4 Å²	37.4	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-50.7	176.8	-71.4	165.8	-168.6	0	0	111.3	V61 Y81 W85 G123 V124 L129 A130 I131 Y169	V61-E127 HydrophobicContact CG1-CG 4.44Å; V61-E127 HydrophobicContact CG2-CB 4.02Å; V61-E127 HydrophobicContact CG2-CG 4.01Å; Y81-E127 HydrophobicContact CD1-CG 4.49Å; W85-E127 VanDerWaalsContact CE2-OE1 3.23Å; W85-E127 HydrophobicContact CZ2-CG 3.63Å; W85-E127 WeakPolarHBondContact CZ2-OE1 3.32Å; W85-E127 PolarHBondContact NE1-OE1 2.78Å; G123-E127 VanDerWaalsContact O-CG 3.29Å; G123-E127 WeakPolarHBondContact O-CG 3.48Å; G123-E127 PolarHBondContact O-N 3.01Å; V124-E127 PolarHBondContact O-N 3.49Å; E127-L129 PolarHBondContact O-N 2.86Å; E127-A130 PolarHBondContact O-N 2.92Å; E127-I131 VanDerWaalsContact O-CG1 3.24Å; E127-I131 WeakPolarHBondContact O-CG1 3.3Å; E127-I131 PolarHBondContact O-N 2.86Å; E127-Y169 HydrophobicContact CB-CE1 4.01Å; E127-Y169 WeakPolarHBondContact OE2-CE1 3.07Å; E127-Y169 PolarHBondContact OE2-OH 3.35Å
128	L	96.8	Very high	95	Very high	40 Å²	40	34.6 Å²	34.6	21%	0.209	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-44.1	179.2	-73.3	172.7	0	0	0	112	V124 T125 A130 I131 F132 I166 Y169	V124-L128 HydrophobicContact CG1-CD1 4.09Å; V124-L128 HydrophobicContact CG1-CG 4.47Å; V124-L128 WeakPolarHBondContact O-CB 3.26Å; V124-L128 WeakPolarHBondContact O-CG 3.49Å; V124-L128 PolarHBondContact O-N 3.03Å; T125-L128 PolarHBondContact O-N 3.45Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 3.4Å; L128-I131 PolarHBondContact O-N 3.4Å; L128-F132 HydrophobicContact CB-CD2 4.34Å; L128-F132 HydrophobicContact CB-CE2 4.2Å; L128-F132 WeakPolarHBondContact O-CB 3.48Å; L128-F132 WeakPolarHBondContact O-CD2 3.28Å; L128-F132 WeakPolarHBondContact O-CG 3.46Å; L128-F132 PolarHBondContact O-N 2.84Å; L128-I166 HydrophobicContact CD2-CG1 4.34Å; L128-I166 HydrophobicContact CD2-CG2 4.34Å; L128-Y169 HydrophobicContact CD1-CD1 4.37Å; L128-Y169 HydrophobicContact CD2-CD1 3.81Å; L128-Y169 HydrophobicContact CD2-CE1 4.39Å; L128-Y169 HydrophobicContact CD2-CG 4Å; L128-Y169 HydrophobicContact CG-CD1 3.92Å; L128-Y169 HydrophobicContact CG-CE1 4.37Å
129	L	96.4	Very high	94.6	Very high	80 Å²	80	35.4 Å²	35.4	42%	0.419	18%	0.184	S	C	.	.	H	α-helix	trans	-61.7	-40.7	177.3	-74	173.6	0	0	0	112.2	L80 T125 G126 E127 F132 A133	L80-L129 HydrophobicContact CD1-CD1 4.12Å; T125-L129 WeakPolarHBondContact O-CB 3.37Å; T125-L129 VanDerWaalsContact O-CG 3.25Å; T125-L129 WeakPolarHBondContact O-CG 3.33Å; T125-L129 PolarHBondContact O-N 3.42Å; G126-L129 PolarHBondContact O-N 2.85Å; E127-L129 PolarHBondContact O-N 2.86Å; L129-F132 PolarHBondContact O-N 3.03Å; L129-A133 WeakPolarHBondContact O-CB 3.44Å; L129-A133 PolarHBondContact O-N 3.34Å
130	A	95.6	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67	-39.5	176.1	0	0	0	0	0	111.7	Y81 G126 E127 L128 A133 A134	Y81-A130 HydrophobicContact CD1-CB 4.27Å; Y81-A130 HydrophobicContact CE1-CB 3.77Å; G126-A130 WeakPolarHBondContact O-CB 3.13Å; G126-A130 PolarHBondContact O-N 3.31Å; E127-A130 PolarHBondContact O-N 2.92Å; L128-A130 VanDerWaalsContact C-N 3.33Å; L128-A130 PolarHBondContact O-N 3.4Å; A130-A133 PolarHBondContact O-N 3.09Å; A130-A134 PolarHBondContact O-N 3.34Å
131	I	96	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63	-47.5	174.1	-68.8	165.7	0	0	0	110.5	V61 I65 E127 L128 A133 A134 I135 V162 I166	V61-I131 HydrophobicContact CG2-CD1 3.99Å; V61-I131 HydrophobicContact CG2-CG1 4.29Å; I65-I131 HydrophobicContact CG1-CG1 4.33Å; E127-I131 VanDerWaalsContact O-CG1 3.24Å; E127-I131 WeakPolarHBondContact O-CG1 3.3Å; E127-I131 PolarHBondContact O-N 2.86Å; L128-I131 PolarHBondContact O-N 3.4Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.24Å; I131-A134 WeakPolarHBondContact O-CA 2.96Å; I131-A134 VanDerWaalsContact O-CB 3.31Å; I131-A134 WeakPolarHBondContact O-CB 3.48Å; I131-A134 PolarHBondContact O-N 3.39Å; I131-I135 WeakPolarHBondContact O-CG1 3.42Å; I131-I135 PolarHBondContact O-N 2.87Å; I131-V162 HydrophobicContact CG2-CG1 3.43Å; I131-V162 VanDerWaalsContact CG2-CG1 3.43Å; I131-I166 HydrophobicContact CG2-CD1 3.81Å; I131-I166 HydrophobicContact CG2-CG1 3.8Å
132	F	96.2	Very high	92.8	Very high	94 Å²	94	48.7 Å²	48.7	41%	0.412	24%	0.236	S	C	.	.	H	α-helix	trans	-60.4	-41.4	178.2	-78.4	-61.1	0	0	0	112.2	L128 L129 A134 I135 W163 I166	L128-F132 HydrophobicContact CB-CD2 4.34Å; L128-F132 HydrophobicContact CB-CE2 4.2Å; L128-F132 WeakPolarHBondContact O-CB 3.48Å; L128-F132 WeakPolarHBondContact O-CD2 3.28Å; L128-F132 WeakPolarHBondContact O-CG 3.46Å; L128-F132 PolarHBondContact O-N 2.84Å; L129-F132 PolarHBondContact O-N 3.03Å; F132-A134 PolarHBondContact O-N 2.95Å; F132-I135 HydrophobicContact CD1-CD1 3.63Å; F132-I135 HydrophobicContact CE1-CD1 4.17Å; F132-I135 PolarHBondContact O-N 3.46Å; F132-W163 HydrophobicContact CE1-CH2 4.45Å; F132-I166 HydrophobicContact CD1-CD1 4.15Å; F132-I166 HydrophobicContact CE1-CD1 3.73Å; F132-I166 HydrophobicContact CZ-CD1 4.1Å; F132-I166 HydrophobicContact CZ-CG2 4.04Å
133	A	94.4	Very high	91.7	Very high	37 Å²	37	47.9 Å²	47.9	31%	0.306	23%	0.232	S	C	.	.	H	α-helix	trans	-62	-23.4	174	0	0	0	0	0	112.9	L129 A130 I131 P137	L129-A133 WeakPolarHBondContact O-CB 3.44Å; L129-A133 PolarHBondContact O-N 3.34Å; A130-A133 PolarHBondContact O-N 3.09Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.24Å; A133-P137 WeakPolarHBondContact O-CD 3.28Å
134	A	94.2	Very high	90.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-87.2	-20.2	-180	0	0	0	0	0	114.4	I65 V69 A72 A130 I131 F132 E136 P137 I138	I65-A134 HydrophobicContact CD1-CB 4.41Å; I65-A134 HydrophobicContact CG2-CB 3.66Å; V69-A134 HydrophobicContact CB-CB 4.21Å; V69-A134 HydrophobicContact CG1-CB 4Å; V69-A134 HydrophobicContact CG2-CB 4.21Å; A72-A134 HydrophobicContact CB-CB 4.14Å; A130-A134 PolarHBondContact O-N 3.34Å; I131-A134 WeakPolarHBondContact O-CA 2.96Å; I131-A134 VanDerWaalsContact O-CB 3.31Å; I131-A134 WeakPolarHBondContact O-CB 3.48Å; I131-A134 PolarHBondContact O-N 3.39Å; F132-A134 PolarHBondContact O-N 2.95Å; A134-E136 PolarHBondContact O-N 3.37Å; A134-P137 WeakPolarHBondContact O-CD 3.36Å; A134-I138 HydrophobicContact CB-CD1 3.76Å; A134-I138 HydrophobicContact CB-CG1 4.46Å; A134-I138 VanDerWaalsContact O-CB 3.28Å; A134-I138 WeakPolarHBondContact O-CB 3.42Å; A134-I138 WeakPolarHBondContact O-CD1 3.47Å; A134-I138 WeakPolarHBondContact O-CG1 3.11Å; A134-I138 PolarHBondContact O-N 3.18Å
135	I	93.6	Very high	88.8	Confident	18 Å²	18	52.9 Å²	52.9	9%	0.092	27%	0.267	C	S	.	.	H	α-helix	trans	-58.3	-51.8	-171.7	-67.1	-179	0	0	0	112	I131 F132 I138 K139 Y159 V162 W163 I166	I131-I135 WeakPolarHBondContact O-CG1 3.42Å; I131-I135 PolarHBondContact O-N 2.87Å; F132-I135 HydrophobicContact CD1-CD1 3.63Å; F132-I135 HydrophobicContact CE1-CD1 4.17Å; F132-I135 PolarHBondContact O-N 3.46Å; I135-I138 PolarHBondContact O-N 3.25Å; I135-K139 WeakPolarHBondContact O-CB 3.47Å; I135-K139 PolarHBondContact O-N 3.19Å; I135-Y159 HydrophobicContact CG2-CD2 4.12Å; I135-Y159 HydrophobicContact CG2-CE2 3.47Å; I135-Y159 VanDerWaalsContact CG2-CE2 3.47Å; I135-V162 HydrophobicContact CG1-CG1 3.97Å; I135-W163 HydrophobicContact CD1-CH2 4.39Å; I135-W163 HydrophobicContact CD1-CZ2 3.95Å; I135-I166 HydrophobicContact CD1-CD1 3.79Å
136	E	91.8	Very high	87.2	Confident	92 Å²	92	53.8 Å²	53.8	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-67.4	-46.8	-176.4	-174.2	60.7	-151.8	0	0	111.8	A134 I138 K139 Q140	A134-E136 PolarHBondContact O-N 3.37Å; E136-I138 VanDerWaalsContact C-N 3.32Å; E136-I138 PolarHBondContact O-N 2.87Å; E136-K139 WeakPolarHBondContact O-CB 3.34Å; E136-K139 PolarHBondContact O-N 3.2Å; E136-Q140 HydrophobicContact CG-CG 4.48Å; E136-Q140 WeakPolarHBondContact O-CG 3.44Å; E136-Q140 PolarHBondContact O-N 2.9Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.37Å; E136-Q140 PolarHBondContact OE1-NE2 3.39Å
137	P	90.9	Very high	85.6	Confident	12 Å²	12	59.2 Å²	59.2	8%	0.078	29%	0.294	C	S	.	.	H	α-helix	trans	-56.6	-40.9	171.1	-26.9	33.8	0	0	0	114	V69 E71 A133 A134 K139 Q140 R141	V69-P137 HydrophobicContact CG1-CB 3.78Å; V69-P137 HydrophobicContact CG1-CG 4.07Å; E71-P137 HydrophobicContact CB-CG 3.96Å; E71-P137 HydrophobicContact CG-CG 3.74Å; A133-P137 WeakPolarHBondContact O-CD 3.28Å; A134-P137 WeakPolarHBondContact O-CD 3.36Å; P137-K139 VanDerWaalsContact C-N 3.34Å; P137-Q140 PolarHBondContact O-N 3.42Å; P137-R141 VanDerWaalsContact O-CB 3.23Å; P137-R141 WeakPolarHBondContact O-CB 3.25Å; P137-R141 WeakPolarHBondContact O-CG 3.08Å; P137-R141 PolarHBondContact O-N 3.05Å
138	I	89.2	Confident	83.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-43.5	177.7	-74.2	165.2	0	0	0	110.7	I65 V69 A134 I135 E136 K142 L143 F158 V162	I65-I138 HydrophobicContact CD1-CD1 3.88Å; V69-I138 HydrophobicContact CG2-CD1 4.3Å; V69-I138 HydrophobicContact CG2-CG1 3.94Å; A134-I138 HydrophobicContact CB-CD1 3.76Å; A134-I138 HydrophobicContact CB-CG1 4.46Å; A134-I138 VanDerWaalsContact O-CB 3.28Å; A134-I138 WeakPolarHBondContact O-CB 3.42Å; A134-I138 WeakPolarHBondContact O-CD1 3.47Å; A134-I138 WeakPolarHBondContact O-CG1 3.11Å; A134-I138 PolarHBondContact O-N 3.18Å; I135-I138 PolarHBondContact O-N 3.25Å; E136-I138 VanDerWaalsContact C-N 3.32Å; E136-I138 PolarHBondContact O-N 2.87Å; I138-K142 WeakPolarHBondContact O-CA 3.41Å; I138-K142 PolarHBondContact O-N 2.98Å; I138-L143 HydrophobicContact CG1-CD1 3.95Å; I138-L143 PolarHBondContact O-N 3.38Å; I138-F158 HydrophobicContact CD1-CD1 3.95Å; I138-F158 HydrophobicContact CD1-CE1 3.5Å; I138-F158 VanDerWaalsContact CD1-CE1 3.5Å; I138-F158 HydrophobicContact CD1-CZ 4.33Å; I138-F158 HydrophobicContact CG1-CD1 4.06Å; I138-F158 HydrophobicContact CG1-CE1 3.94Å; I138-F158 HydrophobicContact CG2-CB 4.44Å; I138-F158 HydrophobicContact CG2-CD1 3.66Å; I138-F158 HydrophobicContact CG2-CE1 4.35Å; I138-F158 HydrophobicContact CG2-CG 4.4Å; I138-V162 HydrophobicContact CD1-CG2 3.87Å
139	K	87.3	Confident	82	Confident	116 Å²	116	67.9 Å²	67.9	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-63.8	-47	178	-174.2	-175.9	173.2	-168.9	0	111.8	I135 E136 P137 Y159	I135-K139 WeakPolarHBondContact O-CB 3.47Å; I135-K139 PolarHBondContact O-N 3.19Å; E136-K139 WeakPolarHBondContact O-CB 3.34Å; E136-K139 PolarHBondContact O-N 3.2Å; P137-K139 VanDerWaalsContact C-N 3.34Å; K139-Y159 HydrophobicContact CB-CD2 3.76Å; K139-Y159 HydrophobicContact CB-CE2 3.95Å; K139-Y159 HydrophobicContact CD-CE2 4.02Å; K139-Y159 HydrophobicContact CG-CD2 4.2Å; K139-Y159 HydrophobicContact CG-CE2 4.18Å
140	Q	87.4	Confident	80.4	Confident	134 Å²	134	66.3 Å²	66.3	63%	0.626	34%	0.338	S	S	*	.	H	α-helix	trans	-69.4	-44	-177.6	-69.2	178.8	2.8	0	0	112.4	E136 P137 K142	E136-Q140 HydrophobicContact CG-CG 4.48Å; E136-Q140 WeakPolarHBondContact O-CG 3.44Å; E136-Q140 PolarHBondContact O-N 2.9Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.37Å; E136-Q140 PolarHBondContact OE1-NE2 3.39Å; P137-Q140 PolarHBondContact O-N 3.42Å; Q140-K142 VanDerWaalsContact C-N 3.3Å; Q140-K142 PolarHBondContact O-N 2.76Å
141	R	85.1	Confident	79.1	Confident	121 Å²	121	72.6 Å²	72.6	46%	0.457	38%	0.382	S	S	.	.	H	α-helix	trans	-83.4	-4.7	-177.7	-63.8	174.2	-179.2	149.6	9.6	113.4	E71 P137 L143	E71-R141 IonicContact OE1-CZ 3.99Å; E71-R141 IonicContact OE1-NH1 3.56Å; E71-R141 IonicContact OE1-NH2 3.32Å; E71-R141 PolarHBondContact OE1-NH2 2.69Å; E71-R141 IonicContact OE2-CZ 3.5Å; E71-R141 IonicContact OE2-NH1 3.53Å; E71-R141 PolarHBondContact OE2-NH1 2.7Å; E71-R141 IonicContact OE2-NH2 2.68Å; P137-R141 VanDerWaalsContact O-CB 3.23Å; P137-R141 WeakPolarHBondContact O-CB 3.25Å; P137-R141 WeakPolarHBondContact O-CG 3.08Å; P137-R141 PolarHBondContact O-N 3.05Å; R141-L143 HydrophobicContact CB-CD2 3.94Å; R141-L143 HydrophobicContact CB-CG 3.84Å; R141-L143 PolarHBondContact O-N 3.37Å
142	K	76.3	Confident	77.4	Confident	121 Å²	121	79.3 Å²	79.3	53%	0.526	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.5	45.6	-174.4	-67.1	-173.7	169.8	-164.7	0	112.3	I138 Q140 S144 S145 E147	I138-K142 WeakPolarHBondContact O-CA 3.41Å; I138-K142 PolarHBondContact O-N 2.98Å; Q140-K142 VanDerWaalsContact C-N 3.3Å; Q140-K142 PolarHBondContact O-N 2.76Å; K142-S144 PolarHBondContact O-N 3.02Å; K142-S145 PolarHBondContact O-N 3.24Å; K142-S145 PolarHBondContact O-OG 3.3Å; K142-E147 IonicContact NZ-OE1 2.77Å; K142-E147 PolarHBondContact NZ-OE1 3.3Å
143	L	73.3	Confident	75.8	Confident	39 Å²	39	80.4 Å²	80.4	20%	0.204	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	124.1	-173.4	-69.5	177.8	0	0	0	110.6	N68 V69 I138 R141 S145 F158	N68-L143 HydrophobicContact CB-CD1 4.48Å; V69-L143 HydrophobicContact CG2-CD1 3.63Å; I138-L143 HydrophobicContact CG1-CD1 3.95Å; I138-L143 PolarHBondContact O-N 3.38Å; R141-L143 HydrophobicContact CB-CD2 3.94Å; R141-L143 HydrophobicContact CB-CG 3.84Å; R141-L143 PolarHBondContact O-N 3.37Å; L143-S145 PolarHBondContact O-N 3.16Å; L143-F158 HydrophobicContact CB-CD1 4.24Å; L143-F158 WeakPolarHBondContact O-CB 3.48Å
144	S	66.2	Low	74.2	Confident	95 Å²	95	82.3 Å²	82.3	66%	0.664	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	26.5	175.6	-55.9	0	0	0	0	115.1	K142 I146	K142-S144 PolarHBondContact O-N 3.02Å; S144-I146 PolarHBondContact O-N 3.41Å
145	S	65.3	Low	72.6	Confident	29 Å²	29	85.7 Å²	85.7	20%	0.203	45%	0.453	C	S	.	.			trans	-76.1	115.8	173.2	59.2	0	0	0	0	110.1	K142 L143 E147 L156	K142-S145 PolarHBondContact O-N 3.24Å; K142-S145 PolarHBondContact O-OG 3.3Å; L143-S145 PolarHBondContact O-N 3.16Å; S145-E147 PolarHBondContact O-N 3.01Å; S145-L156 WeakPolarHBondContact CA-O 3.24Å
146	I	61	Low	71.4	Confident	85 Å²	85	89.2 Å²	89.2	44%	0.436	47%	0.472	S	S	.	.	B	Isolated β-bridge	trans	-81.3	105.4	170.5	-58.3	174.4	0	0	0	106.8	S144 N150 S155 L156	S144-I146 PolarHBondContact O-N 3.41Å; I146-N150 WeakPolarHBondContact CG2-ND2 3.01Å; I146-S155 VanDerWaalsContact O-CA 3.28Å; I146-S155 WeakPolarHBondContact O-CA 3.3Å; I146-L156 PolarHBondContact N-O 3.47Å; I146-L156 PolarHBondContact O-N 3.22Å
147	E	63.3	Low	70.7	Confident	115 Å²	115	87.8 Å²	87.8	54%	0.537	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-86.3	151.2	176.4	-64.1	-171.4	170	0	0	110.8	K142 S145	K142-E147 IonicContact NZ-OE1 2.77Å; K142-E147 PolarHBondContact NZ-OE1 3.3Å; S145-E147 PolarHBondContact O-N 3.01Å
148	M	55.7	Low	70.4	Confident	108 Å²	108	88.3 Å²	88.3	53%	0.532	47%	0.468	S	S	.	.	S	Bend	trans	-80.5	152.5	171	-74	-174.9	-64.6	0	0	110.1	N153	M148-N153 PolarHBondContact SD-OD1 3.48Å; M148-N153 VanDerWaalsContact SD-OD1 3.33Å
149	P	62.4	Low	70.3	Confident	129 Å²	129	90.7 Å²	90.7	84%	0.838	48%	0.477	S	S	*	.	P	Polyproline II helix	cis	-85.6	135.2	1.7	31.6	-31.9	0	0	0	112.7
150	N	63	Low	70.3	Confident	48 Å²	48	92.4 Å²	92.4	26%	0.257	48%	0.482	S	S	.	.			trans	-124.5	161.5	165.4	61.9	11.9	0	0	0	109.7	I146 M152 N153 I154	I146-N150 WeakPolarHBondContact CG2-ND2 3.01Å; N150-M152 PolarHBondContact O-N 2.97Å; N150-M152 VanDerWaalsContact O-N 3.08Å; N150-N153 PolarHBondContact O-N 3.44Å; N150-N153 WeakPolarHBondContact OD1-CA 3.43Å; N150-N153 PolarHBondContact OD1-N 3.43Å; N150-I154 PolarHBondContact ND2-O 3.37Å; N150-I154 PolarHBondContact OD1-N 3.49Å
151	S	68.6	Low	70.4	Confident	132 Å²	132	88.6 Å²	88.6	92%	0.923	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.8	-177.1	52	0	0	0	0	114
152	M	60.1	Low	70.7	Confident	141 Å²	141	82.9 Å²	82.9	70%	0.695	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.6	179.6	-64	-99.2	-72.9	0	0	113.4	N150 I154	N150-M152 PolarHBondContact O-N 2.97Å; N150-M152 VanDerWaalsContact O-N 3.08Å; M152-I154 VanDerWaalsContact C-N 3.25Å; M152-I154 HydrophobicContact CB-CD1 4.2Å; M152-I154 HydrophobicContact CB-CG1 4.41Å; M152-I154 HydrophobicContact CE-CD1 4.13Å; M152-I154 PolarHBondContact O-N 3.14Å
153	N	62.4	Low	71.5	Confident	117 Å²	117	81.9 Å²	81.9	63%	0.626	44%	0.439	S	S	*	.			trans	50.1	37.7	-173.5	-153.2	19.9	0	0	0	114.9	M148 N150	M148-N153 PolarHBondContact SD-OD1 3.48Å; M148-N153 VanDerWaalsContact SD-OD1 3.33Å; N150-N153 PolarHBondContact O-N 3.44Å; N150-N153 WeakPolarHBondContact OD1-CA 3.43Å; N150-N153 PolarHBondContact OD1-N 3.43Å
154	I	60.6	Low	72.4	Confident	77 Å²	77	83.4 Å²	83.4	40%	0.395	45%	0.452	S	S	.	.			trans	-114.4	120.8	-180	-67.5	167.2	0	0	0	109.1	N150 M152 L156	N150-I154 PolarHBondContact ND2-O 3.37Å; N150-I154 PolarHBondContact OD1-N 3.49Å; M152-I154 VanDerWaalsContact C-N 3.25Å; M152-I154 HydrophobicContact CB-CD1 4.2Å; M152-I154 HydrophobicContact CB-CG1 4.41Å; M152-I154 HydrophobicContact CE-CD1 4.13Å; M152-I154 PolarHBondContact O-N 3.14Å; I154-L156 HydrophobicContact CG2-CD1 4.27Å; I154-L156 HydrophobicContact CG2-CG 3.9Å
155	S	61.2	Low	73.6	Confident	70 Å²	70	79.8 Å²	79.8	49%	0.49	43%	0.426	S	S	.	.			trans	-93	128.6	163.4	61.1	0	0	0	0	110	I146	I146-S155 VanDerWaalsContact O-CA 3.28Å; I146-S155 WeakPolarHBondContact O-CA 3.3Å
156	L	67.9	Low	75	Confident	93 Å²	93	79.4 Å²	79.4	49%	0.487	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-125	103.7	171.7	-82.7	172.8	0	0	0	107.6	S145 I146 I154	S145-L156 WeakPolarHBondContact CA-O 3.24Å; I146-L156 PolarHBondContact N-O 3.47Å; I146-L156 PolarHBondContact O-N 3.22Å; I154-L156 HydrophobicContact CG2-CD1 4.27Å; I154-L156 HydrophobicContact CG2-CG 3.9Å
157	N	77.8	Confident	76.5	Confident	61 Å²	61	80.9 Å²	80.9	33%	0.326	43%	0.429	S	S	.	.			trans	-92.6	115.8	173.4	-173.6	-20.9	0	0	0	109	Y159 Y160 V161	N157-Y159 PolarHBondContact O-N 2.94Å; N157-Y159 VanDerWaalsContact O-N 3.13Å; N157-Y159 WeakPolarHBondContact OD1-CB 3.39Å; N157-Y159 PolarHBondContact OD1-N 2.91Å; N157-Y160 HydrophobicContact CB-CD2 3.73Å; N157-Y160 HydrophobicContact CB-CE2 4.16Å; N157-Y160 PolarHBondContact O-N 3.37Å; N157-V161 PolarHBondContact O-N 3.37Å
158	F	84.9	Confident	77.9	Confident	23 Å²	23	80 Å²	80	10%	0.101	43%	0.428	C	S	.	.	H	α-helix	trans	-55.7	-30.6	-179.8	-173	-131.7	0	0	0	112.7	F60 P64 I65 I138 L143 Y160 V161 V162	F60-F158 HydrophobicContact CE2-CE2 4.23Å; F60-F158 HydrophobicContact CZ-CE2 4.13Å; P64-F158 HydrophobicContact CB-CE2 3.81Å; P64-F158 HydrophobicContact CB-CZ 3.5Å; P64-F158 VanDerWaalsContact CB-CZ 3.5Å; I65-F158 HydrophobicContact CD1-CE1 4.2Å; I65-F158 HydrophobicContact CD1-CZ 3.75Å; I138-F158 HydrophobicContact CD1-CD1 3.95Å; I138-F158 HydrophobicContact CD1-CE1 3.5Å; I138-F158 VanDerWaalsContact CD1-CE1 3.5Å; I138-F158 HydrophobicContact CD1-CZ 4.33Å; I138-F158 HydrophobicContact CG1-CD1 4.06Å; I138-F158 HydrophobicContact CG1-CE1 3.94Å; I138-F158 HydrophobicContact CG2-CB 4.44Å; I138-F158 HydrophobicContact CG2-CD1 3.66Å; I138-F158 HydrophobicContact CG2-CE1 4.35Å; I138-F158 HydrophobicContact CG2-CG 4.4Å; L143-F158 HydrophobicContact CB-CD1 4.24Å; L143-F158 WeakPolarHBondContact O-CB 3.48Å; F158-Y160 VanDerWaalsContact C-N 3.33Å; F158-Y160 PolarHBondContact O-N 3.24Å; F158-V161 HydrophobicContact CD2-CB 4.23Å; F158-V161 HydrophobicContact CD2-CG1 4.45Å; F158-V161 WeakPolarHBondContact O-CB 3.49Å; F158-V161 PolarHBondContact O-N 3.45Å; F158-V161 VanDerWaalsContact O-N 3.14Å; F158-V162 HydrophobicContact CD2-CG2 4.41Å; F158-V162 HydrophobicContact CE1-CG2 4.19Å; F158-V162 HydrophobicContact CE2-CG2 4.07Å; F158-V162 HydrophobicContact CZ-CG2 3.93Å; F158-V162 WeakPolarHBondContact O-CG2 3.47Å; F158-V162 PolarHBondContact O-N 3.05Å
159	Y	87.4	Confident	79.7	Confident	50 Å²	50	76.2 Å²	76.2	20%	0.196	41%	0.408	C	S	.	.	H	α-helix	trans	-54.3	-45.9	172.9	177.6	-95.5	0	0	0	112.7	I135 K139 N157 V162 W163	I135-Y159 HydrophobicContact CG2-CD2 4.12Å; I135-Y159 HydrophobicContact CG2-CE2 3.47Å; I135-Y159 VanDerWaalsContact CG2-CE2 3.47Å; K139-Y159 HydrophobicContact CB-CD2 3.76Å; K139-Y159 HydrophobicContact CB-CE2 3.95Å; K139-Y159 HydrophobicContact CD-CE2 4.02Å; K139-Y159 HydrophobicContact CG-CD2 4.2Å; K139-Y159 HydrophobicContact CG-CE2 4.18Å; N157-Y159 PolarHBondContact O-N 2.94Å; N157-Y159 VanDerWaalsContact O-N 3.13Å; N157-Y159 WeakPolarHBondContact OD1-CB 3.39Å; N157-Y159 PolarHBondContact OD1-N 2.91Å; Y159-V162 PolarHBondContact O-N 3.21Å; Y159-W163 AromaticContact CE1-CD1 3.54Å; Y159-W163 AromaticContact CE1-NE1 3.6Å; Y159-W163 AromaticContact CE2-NE1 3.72Å; Y159-W163 AromaticContact CZ-CD1 3.63Å; Y159-W163 AromaticContact CZ-NE1 3.19Å; Y159-W163 PolarHBondContact O-N 3.08Å; Y159-W163 PolarHBondContact OH-NE1 3.42Å; Y159-W163 VanDerWaalsContact OH-NE1 3.07Å
160	Y	87.1	Confident	81	Confident	153 Å²	153	76.4 Å²	76.4	60%	0.6	40%	0.401	S	S	*	.	H	α-helix	trans	-72.1	-34.7	177.9	-64.4	-57	0	0	0	111.7	N157 F158 V162 W163 C164	N157-Y160 HydrophobicContact CB-CD2 3.73Å; N157-Y160 HydrophobicContact CB-CE2 4.16Å; N157-Y160 PolarHBondContact O-N 3.37Å; F158-Y160 VanDerWaalsContact C-N 3.33Å; F158-Y160 PolarHBondContact O-N 3.24Å; Y160-V162 VanDerWaalsContact C-N 3.28Å; Y160-V162 PolarHBondContact O-N 3.42Å; Y160-W163 PolarHBondContact O-N 3.1Å; Y160-C164 WeakPolarHBondContact O-CB 3.22Å; Y160-C164 PolarHBondContact O-N 3.44Å; Y160-C164 PolarHBondContact O-SG 2.9Å
161	V	89.2	Confident	82.4	Confident	53 Å²	53	77.7 Å²	77.7	32%	0.321	41%	0.413	S	S	.	.	H	α-helix	trans	-60.1	-40.4	174.6	178.2	0	0	0	0	111	F60 N157 F158 C164 T165	F60-V161 HydrophobicContact CE2-CG1 4.18Å; F60-V161 HydrophobicContact CZ-CG1 4.4Å; N157-V161 PolarHBondContact O-N 3.37Å; F158-V161 HydrophobicContact CD2-CB 4.23Å; F158-V161 HydrophobicContact CD2-CG1 4.45Å; F158-V161 WeakPolarHBondContact O-CB 3.49Å; F158-V161 PolarHBondContact O-N 3.45Å; F158-V161 VanDerWaalsContact O-N 3.14Å; V161-C164 PolarHBondContact O-N 3.18Å; V161-T165 PolarHBondContact O-N 2.81Å; V161-T165 PolarHBondContact O-OG1 2.98Å
162	V	92	Very high	83.5	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.006	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-46.1	175.6	170.3	0	0	0	0	111.8	F60 I65 I131 I135 I138 F158 Y159 Y160 C164 T165 I166	F60-V162 HydrophobicContact CZ-CG2 4.32Å; I65-V162 HydrophobicContact CD1-CG2 3.79Å; I131-V162 HydrophobicContact CG2-CG1 3.43Å; I131-V162 VanDerWaalsContact CG2-CG1 3.43Å; I135-V162 HydrophobicContact CG1-CG1 3.97Å; I138-V162 HydrophobicContact CD1-CG2 3.87Å; F158-V162 HydrophobicContact CD2-CG2 4.41Å; F158-V162 HydrophobicContact CE1-CG2 4.19Å; F158-V162 HydrophobicContact CE2-CG2 4.07Å; F158-V162 HydrophobicContact CZ-CG2 3.93Å; F158-V162 WeakPolarHBondContact O-CG2 3.47Å; F158-V162 PolarHBondContact O-N 3.05Å; Y159-V162 PolarHBondContact O-N 3.21Å; Y160-V162 VanDerWaalsContact C-N 3.28Å; Y160-V162 PolarHBondContact O-N 3.42Å; V162-C164 PolarHBondContact O-N 3.04Å; V162-T165 WeakPolarHBondContact O-CB 3.45Å; V162-T165 PolarHBondContact O-N 3.36Å; V162-T165 VanDerWaalsContact O-N 3.11Å; V162-I166 HydrophobicContact CG1-CD1 4.33Å; V162-I166 PolarHBondContact O-N 3.44Å
163	W	92.3	Very high	85	Confident	100 Å²	100	70.4 Å²	70.4	38%	0.379	36%	0.363	S	S	.	.	H	α-helix	trans	-61.2	-44.1	175	-84.8	109	0	0	0	112.6	F132 I135 Y159 Y160 T165 I166 L167	F132-W163 HydrophobicContact CE1-CH2 4.45Å; I135-W163 HydrophobicContact CD1-CH2 4.39Å; I135-W163 HydrophobicContact CD1-CZ2 3.95Å; Y159-W163 AromaticContact CE1-CD1 3.54Å; Y159-W163 AromaticContact CE1-NE1 3.6Å; Y159-W163 AromaticContact CE2-NE1 3.72Å; Y159-W163 AromaticContact CZ-CD1 3.63Å; Y159-W163 AromaticContact CZ-NE1 3.19Å; Y159-W163 PolarHBondContact O-N 3.08Å; Y159-W163 PolarHBondContact OH-NE1 3.42Å; Y159-W163 VanDerWaalsContact OH-NE1 3.07Å; Y160-W163 PolarHBondContact O-N 3.1Å; W163-T165 PolarHBondContact O-N 2.93Å; W163-I166 HydrophobicContact CE3-CD1 4.16Å; W163-I166 HydrophobicContact CZ3-CD1 4.39Å; W163-I166 PolarHBondContact O-N 2.9Å; W163-L167 WeakPolarHBondContact O-CG 3.15Å; W163-L167 PolarHBondContact O-N 2.96Å
164	C	92.2	Very high	86.5	Confident	72 Å²	72	67 Å²	67	49%	0.486	35%	0.348	S	S	.	.	H	α-helix	trans	-57.8	-39.2	173.1	-71.6	0	0	0	0	111.5	Y160 V161 V162 L167 L168	Y160-C164 WeakPolarHBondContact O-CB 3.22Å; Y160-C164 PolarHBondContact O-N 3.44Å; Y160-C164 PolarHBondContact O-SG 2.9Å; V161-C164 PolarHBondContact O-N 3.18Å; V162-C164 PolarHBondContact O-N 3.04Å; C164-L167 PolarHBondContact O-N 3.2Å; C164-L168 WeakPolarHBondContact O-CG 3.42Å; C164-L168 PolarHBondContact O-N 3.41Å
165	T	91.2	Very high	88	Confident	18 Å²	18	71.2 Å²	71.2	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-44.8	177.7	-55.6	0	0	0	0	111.5	F60 V161 V162 W163 L167 L168 Y169	F60-T165 HydrophobicContact CD1-CG2 3.78Å; F60-T165 HydrophobicContact CE1-CG2 3.65Å; F60-T165 HydrophobicContact CG-CG2 4.46Å; F60-T165 HydrophobicContact CZ-CG2 4.23Å; F60-T165 WeakPolarHBondContact CZ-OG1 3.37Å; V161-T165 PolarHBondContact O-N 2.81Å; V161-T165 PolarHBondContact O-OG1 2.98Å; V162-T165 WeakPolarHBondContact O-CB 3.45Å; V162-T165 PolarHBondContact O-N 3.36Å; V162-T165 VanDerWaalsContact O-N 3.11Å; W163-T165 PolarHBondContact O-N 2.93Å; T165-L167 VanDerWaalsContact C-N 3.28Å; T165-L167 PolarHBondContact O-N 3.34Å; T165-L168 WeakPolarHBondContact O-CB 3.44Å; T165-L168 PolarHBondContact O-N 3.42Å; T165-L168 VanDerWaalsContact O-N 3.08Å; T165-Y169 HydrophobicContact CG2-CD2 4.16Å; T165-Y169 HydrophobicContact CG2-CE2 3.8Å; T165-Y169 WeakPolarHBondContact O-CD2 2.95Å; T165-Y169 PolarHBondContact O-N 3.32Å; T165-Y169 VanDerWaalsContact O-N 3.1Å
166	I	93.9	Very high	89.5	Confident	22 Å²	22	68.8 Å²	68.8	11%	0.113	34%	0.344	C	S	.	.	H	α-helix	trans	-57.8	-43.6	174	-67.5	161.8	0	0	0	110.8	L128 I131 F132 I135 V162 W163 L168 Y169	L128-I166 HydrophobicContact CD2-CG1 4.34Å; L128-I166 HydrophobicContact CD2-CG2 4.34Å; I131-I166 HydrophobicContact CG2-CD1 3.81Å; I131-I166 HydrophobicContact CG2-CG1 3.8Å; F132-I166 HydrophobicContact CD1-CD1 4.15Å; F132-I166 HydrophobicContact CE1-CD1 3.73Å; F132-I166 HydrophobicContact CZ-CD1 4.1Å; F132-I166 HydrophobicContact CZ-CG2 4.04Å; I135-I166 HydrophobicContact CD1-CD1 3.79Å; V162-I166 HydrophobicContact CG1-CD1 4.33Å; V162-I166 PolarHBondContact O-N 3.44Å; W163-I166 HydrophobicContact CE3-CD1 4.16Å; W163-I166 HydrophobicContact CZ3-CD1 4.39Å; W163-I166 PolarHBondContact O-N 2.9Å; I166-L168 VanDerWaalsContact C-N 3.29Å; I166-L168 PolarHBondContact O-N 3.22Å; I166-Y169 WeakPolarHBondContact O-CB 3.27Å; I166-Y169 PolarHBondContact O-N 3.47Å
167	L	94.3	Very high	90.7	Very high	115 Å²	115	66.5 Å²	66.5	60%	0.602	33%	0.33	S	S	*	.	H	α-helix	trans	-64.3	-33.2	177.2	-67.9	176.3	0	0	0	112.5	W163 C164 T165 Y169 L170 P171	W163-L167 WeakPolarHBondContact O-CG 3.15Å; W163-L167 PolarHBondContact O-N 2.96Å; C164-L167 PolarHBondContact O-N 3.2Å; T165-L167 VanDerWaalsContact C-N 3.28Å; T165-L167 PolarHBondContact O-N 3.34Å; L167-Y169 VanDerWaalsContact C-N 3.35Å; L167-L170 PolarHBondContact O-N 2.82Å; L167-P171 WeakPolarHBondContact O-CD 3.38Å
168	L	92.6	Very high	91.5	Very high	97 Å²	97	69.6 Å²	69.6	51%	0.508	34%	0.34	S	S	.	.	H	α-helix	trans	-69.6	-30.5	174.9	-73.7	172.2	0	0	0	112.7	C164 T165 I166 L170 P171 L172	C164-L168 WeakPolarHBondContact O-CG 3.42Å; C164-L168 PolarHBondContact O-N 3.41Å; T165-L168 WeakPolarHBondContact O-CB 3.44Å; T165-L168 PolarHBondContact O-N 3.42Å; T165-L168 VanDerWaalsContact O-N 3.08Å; I166-L168 VanDerWaalsContact C-N 3.29Å; I166-L168 PolarHBondContact O-N 3.22Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.26Å; L168-P171 VanDerWaalsContact O-CD 3.27Å; L168-P171 WeakPolarHBondContact O-CD 3.34Å; L168-L172 VanDerWaalsContact O-CB 3.28Å; L168-L172 WeakPolarHBondContact O-CB 3.42Å; L168-L172 WeakPolarHBondContact O-CD1 3.26Å; L168-L172 PolarHBondContact O-N 2.99Å
169	Y	92.5	Very high	91.8	Very high	28 Å²	28	72.6 Å²	72.6	11%	0.11	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-37.9	175.6	-88.2	-123.4	0	0	0	111.5	V124 E127 L128 T165 I166 L167 L172 F173	V124-Y169 HydrophobicContact CG1-CD1 3.79Å; V124-Y169 HydrophobicContact CG1-CE1 4.14Å; E127-Y169 HydrophobicContact CB-CE1 4.01Å; E127-Y169 WeakPolarHBondContact OE2-CE1 3.07Å; E127-Y169 PolarHBondContact OE2-OH 3.35Å; L128-Y169 HydrophobicContact CD1-CD1 4.37Å; L128-Y169 HydrophobicContact CD2-CD1 3.81Å; L128-Y169 HydrophobicContact CD2-CE1 4.39Å; L128-Y169 HydrophobicContact CD2-CG 4Å; L128-Y169 HydrophobicContact CG-CD1 3.92Å; L128-Y169 HydrophobicContact CG-CE1 4.37Å; T165-Y169 HydrophobicContact CG2-CD2 4.16Å; T165-Y169 HydrophobicContact CG2-CE2 3.8Å; T165-Y169 WeakPolarHBondContact O-CD2 2.95Å; T165-Y169 PolarHBondContact O-N 3.32Å; T165-Y169 VanDerWaalsContact O-N 3.1Å; I166-Y169 WeakPolarHBondContact O-CB 3.27Å; I166-Y169 PolarHBondContact O-N 3.47Å; L167-Y169 VanDerWaalsContact C-N 3.35Å; Y169-L172 PolarHBondContact O-N 3.23Å; Y169-F173 WeakPolarHBondContact O-CB 3.3Å; Y169-F173 PolarHBondContact O-N 3.11Å
170	L	90.4	Very high	92	Very high	133 Å²	133	71.3 Å²	71.3	70%	0.696	35%	0.348	S	S	*	.	H	α-helix	trans	-57.3	-48.7	-176.1	-172.7	68.6	0	0	0	114	L167 L168 P174	L167-L170 PolarHBondContact O-N 2.82Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.26Å; L170-P174 WeakPolarHBondContact O-CD 3.45Å; L170-P174 VanDerWaalsContact O-CG 3.3Å; L170-P174 WeakPolarHBondContact O-CG 3.31Å
171	P	92	Very high	92.4	Very high	76 Å²	76	66 Å²	66	49%	0.494	33%	0.329	S	S	.	.	H	α-helix	trans	-83.2	-33.2	174.3	31.3	-35.5	0	0	0	114	L167 L168 K175	L167-P171 WeakPolarHBondContact O-CD 3.38Å; L168-P171 VanDerWaalsContact O-CD 3.27Å; L168-P171 WeakPolarHBondContact O-CD 3.34Å; P171-K175 WeakPolarHBondContact O-CB 3.5Å
172	L	91	Very high	92.5	Very high	64 Å²	64	70.6 Å²	70.6	34%	0.335	35%	0.345	S	S	.	.	H	α-helix	trans	-72.5	-40.8	-175.8	-90.9	55.5	0	0	0	112	I53 L168 Y169 K175 L176	I53-L172 HydrophobicContact CG2-CD2 3.79Å; L168-L172 VanDerWaalsContact O-CB 3.28Å; L168-L172 WeakPolarHBondContact O-CB 3.42Å; L168-L172 WeakPolarHBondContact O-CD1 3.26Å; L168-L172 PolarHBondContact O-N 2.99Å; Y169-L172 PolarHBondContact O-N 3.23Å; L172-K175 PolarHBondContact O-N 3Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3Å; L172-L176 PolarHBondContact O-N 3.19Å
173	F	91.9	Very high	92.4	Very high	55 Å²	55	72.1 Å²	72.1	24%	0.241	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-55.1	-176.1	167.4	-97.5	0	0	0	112.3	Y120 P121 V124 Y169 K175 L176 Y177	Y120-F173 AromaticContact CD1-CD2 3.84Å; Y120-F173 HydrophobicContact CD1-CD2 3.84Å; Y120-F173 AromaticContact CD1-CE2 3.43Å; Y120-F173 HydrophobicContact CD1-CE2 3.43Å; Y120-F173 VanDerWaalsContact CD1-CE2 3.43Å; Y120-F173 HydrophobicContact CD1-CZ 4.4Å; Y120-F173 AromaticContact CE1-CD2 3.45Å; Y120-F173 HydrophobicContact CE1-CD2 3.45Å; Y120-F173 VanDerWaalsContact CE1-CD2 3.45Å; Y120-F173 AromaticContact CE1-CE2 3.59Å; Y120-F173 HydrophobicContact CE1-CE2 3.59Å; P121-F173 HydrophobicContact CB-CZ 4.38Å; P121-F173 HydrophobicContact CG-CZ 4.3Å; V124-F173 HydrophobicContact CB-CD2 3.78Å; V124-F173 HydrophobicContact CB-CE2 3.79Å; V124-F173 HydrophobicContact CG1-CD2 3.65Å; V124-F173 HydrophobicContact CG1-CE2 4Å; V124-F173 HydrophobicContact CG1-CG 4.2Å; V124-F173 HydrophobicContact CG2-CD2 3.49Å; V124-F173 VanDerWaalsContact CG2-CD2 3.49Å; V124-F173 HydrophobicContact CG2-CE2 3.75Å; Y169-F173 WeakPolarHBondContact O-CB 3.3Å; Y169-F173 PolarHBondContact O-N 3.11Å; F173-K175 VanDerWaalsContact C-N 3.3Å; F173-K175 PolarHBondContact O-N 3.49Å; F173-L176 PolarHBondContact O-N 3.29Å; F173-Y177 VanDerWaalsContact O-CB 3.26Å; F173-Y177 WeakPolarHBondContact O-CB 3.32Å; F173-Y177 PolarHBondContact O-N 3.43Å
174	P	93.3	Very high	92.4	Very high	47 Å²	47	71 Å²	71	31%	0.305	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-41.3	179.2	-22.8	34.4	0	0	0	111.7	L170 L176 Y177 F178	L170-P174 WeakPolarHBondContact O-CD 3.45Å; L170-P174 VanDerWaalsContact O-CG 3.3Å; L170-P174 WeakPolarHBondContact O-CG 3.31Å; P174-L176 PolarHBondContact O-N 3.04Å; P174-Y177 PolarHBondContact O-N 3.4Å; P174-F178 HydrophobicContact CB-CD2 4.24Å; P174-F178 HydrophobicContact CB-CE2 4.18Å; P174-F178 WeakPolarHBondContact O-CB 3.41Å; P174-F178 WeakPolarHBondContact O-CD2 3.07Å; P174-F178 PolarHBondContact O-N 3.36Å
175	K	93.3	Very high	92.3	Very high	165 Å²	165	72.5 Å²	72.5	72%	0.717	35%	0.348	S	S	*	.	H	α-helix	trans	-59.1	-47.6	179.9	-173.5	177.3	-179.1	178.6	0	111.9	P171 L172 F173 Y179	P171-K175 WeakPolarHBondContact O-CB 3.5Å; L172-K175 PolarHBondContact O-N 3Å; F173-K175 VanDerWaalsContact C-N 3.3Å; F173-K175 PolarHBondContact O-N 3.49Å; K175-Y179 VanDerWaalsContact O-CB 3.29Å; K175-Y179 WeakPolarHBondContact O-CB 3.44Å; K175-Y179 PolarHBondContact O-N 3.39Å; K175-Y179 VanDerWaalsContact O-N 3.1Å
176	L	92.1	Very high	92.3	Very high	18 Å²	18	79.6 Å²	79.6	9%	0.094	38%	0.377	C	S	.	.	H	α-helix	trans	-71.3	-37	178.4	-68.2	175	0	0	0	112.1	T50 I53 Q54 Y120 L172 F173 P174 Y179 M180	T50-L176 HydrophobicContact CG2-CD2 3.95Å; I53-L176 HydrophobicContact CG2-CD1 3.94Å; Q54-L176 HydrophobicContact CG-CD1 4.5Å; Y120-L176 VanDerWaalsContact OH-CB 3.24Å; Y120-L176 WeakPolarHBondContact OH-CB 3.41Å; Y120-L176 WeakPolarHBondContact OH-CD1 3.5Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3Å; L172-L176 PolarHBondContact O-N 3.19Å; F173-L176 PolarHBondContact O-N 3.29Å; P174-L176 PolarHBondContact O-N 3.04Å; L176-Y179 WeakPolarHBondContact O-CB 3.49Å; L176-Y179 PolarHBondContact O-N 2.93Å; L176-M180 WeakPolarHBondContact O-CG 3.38Å; L176-M180 PolarHBondContact O-N 3.33Å
177	Y	93.5	Very high	91.9	Very high	46 Å²	46	80.9 Å²	80.9	18%	0.18	38%	0.383	C	S	.	.	H	α-helix	trans	-65.4	-49.2	178.5	-174.2	-105.3	0	0	0	111.9	F116 L117 Y120 P121 F173 P174 Y179 M180 I181	F116-Y177 HydrophobicContact CD2-CD2 4.38Å; F116-Y177 HydrophobicContact CD2-CE2 4.13Å; F116-Y177 HydrophobicContact CE2-CD2 4.3Å; F116-Y177 HydrophobicContact CE2-CE2 4Å; L117-Y177 WeakPolarHBondContact CD2-OH 3.11Å; L117-Y177 PolarHBondContact O-OH 3.31Å; Y120-Y177 AromaticContact CD1-CD2 3.88Å; Y120-Y177 HydrophobicContact CD1-CD2 3.88Å; Y120-Y177 HydrophobicContact CG-CD2 4.34Å; P121-Y177 HydrophobicContact CG-CE2 4.07Å; F173-Y177 VanDerWaalsContact O-CB 3.26Å; F173-Y177 WeakPolarHBondContact O-CB 3.32Å; F173-Y177 PolarHBondContact O-N 3.43Å; P174-Y177 PolarHBondContact O-N 3.4Å; Y177-Y179 VanDerWaalsContact C-N 3.27Å; Y177-Y179 PolarHBondContact O-N 3.14Å; Y177-M180 WeakPolarHBondContact O-CB 3.07Å; Y177-M180 PolarHBondContact O-N 2.91Å; Y177-M180 VanDerWaalsContact O-N 3.11Å; Y177-I181 HydrophobicContact CD1-CD1 3.86Å; Y177-I181 HydrophobicContact CE1-CD1 3.51Å; Y177-I181 HydrophobicContact CE1-CG1 4.35Å; Y177-I181 PolarHBondContact O-N 3.41Å
178	F	94.5	Very high	91.6	Very high	125 Å²	125	76.1 Å²	76.1	55%	0.548	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-31.2	175.5	-73.6	-62.1	0	0	0	112.5	P174 I181 K182	P174-F178 HydrophobicContact CB-CD2 4.24Å; P174-F178 HydrophobicContact CB-CE2 4.18Å; P174-F178 WeakPolarHBondContact O-CB 3.41Å; P174-F178 WeakPolarHBondContact O-CD2 3.07Å; P174-F178 PolarHBondContact O-N 3.36Å; F178-I181 HydrophobicContact CD1-CD1 3.98Å; F178-I181 HydrophobicContact CE1-CD1 4.34Å; F178-I181 PolarHBondContact O-N 2.87Å; F178-K182 WeakPolarHBondContact O-CG 3.4Å; F178-K182 PolarHBondContact O-N 3.24Å
179	Y	91.7	Very high	91.1	Very high	86 Å²	86	75.7 Å²	75.7	34%	0.337	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-45.1	170.6	177	-102.2	0	0	0	111.8	P47 T50 K175 L176 Y177 I181 K182 Q183	P47-Y179 HydrophobicContact CG-CE1 4.24Å; P47-Y179 WeakPolarHBondContact CG-OH 3.41Å; T50-Y179 HydrophobicContact CG2-CD1 4.33Å; T50-Y179 HydrophobicContact CG2-CE1 4.1Å; K175-Y179 VanDerWaalsContact O-CB 3.29Å; K175-Y179 WeakPolarHBondContact O-CB 3.44Å; K175-Y179 PolarHBondContact O-N 3.39Å; K175-Y179 VanDerWaalsContact O-N 3.1Å; L176-Y179 WeakPolarHBondContact O-CB 3.49Å; L176-Y179 PolarHBondContact O-N 2.93Å; Y177-Y179 VanDerWaalsContact C-N 3.27Å; Y177-Y179 PolarHBondContact O-N 3.14Å; Y179-I181 VanDerWaalsContact C-N 3.35Å; Y179-I181 PolarHBondContact O-N 3.24Å; Y179-K182 PolarHBondContact O-N 3.31Å; Y179-Q183 HydrophobicContact CD1-CG 4.45Å; Y179-Q183 HydrophobicContact CE1-CG 4.03Å; Y179-Q183 PolarHBondContact O-N 3.35Å; Y179-Q183 PolarHBondContact OH-NE2 3.44Å
180	M	92.1	Very high	90.4	Very high	24 Å²	24	75.5 Å²	75.5	12%	0.118	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-35	175.9	-70.7	-64.6	-66.2	0	0	112.8	F116 L176 Y177 Q183 R184	F116-M180 HydrophobicContact CB-CE 4.34Å; F116-M180 HydrophobicContact CD1-CE 4.29Å; F116-M180 HydrophobicContact CD2-CB 3.63Å; F116-M180 HydrophobicContact CD2-CG 4.37Å; F116-M180 HydrophobicContact CE1-CB 4.37Å; F116-M180 HydrophobicContact CE2-CB 3.4Å; F116-M180 VanDerWaalsContact CE2-CB 3.4Å; F116-M180 HydrophobicContact CG-CB 4.24Å; F116-M180 HydrophobicContact CG-CE 4.14Å; F116-M180 HydrophobicContact CZ-CB 3.82Å; L176-M180 WeakPolarHBondContact O-CG 3.38Å; L176-M180 PolarHBondContact O-N 3.33Å; Y177-M180 WeakPolarHBondContact O-CB 3.07Å; Y177-M180 PolarHBondContact O-N 2.91Å; Y177-M180 VanDerWaalsContact O-N 3.11Å; M180-Q183 PolarHBondContact O-N 3.08Å; M180-R184 WeakPolarHBondContact O-CB 3.38Å; M180-R184 PolarHBondContact O-N 3.27Å
181	I	93.7	Very high	89.5	Confident	42 Å²	42	72.5 Å²	72.5	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-62.2	-44.6	172.9	-67.7	173.2	0	0	0	111.3	F116 L117 Y177 F178 Y179 Q183 R184 Q185	F116-I181 HydrophobicContact CE2-CG1 4.04Å; F116-I181 HydrophobicContact CZ-CG1 3.93Å; L117-I181 HydrophobicContact CD2-CG1 4.22Å; Y177-I181 HydrophobicContact CD1-CD1 3.86Å; Y177-I181 HydrophobicContact CE1-CD1 3.51Å; Y177-I181 HydrophobicContact CE1-CG1 4.35Å; Y177-I181 PolarHBondContact O-N 3.41Å; F178-I181 HydrophobicContact CD1-CD1 3.98Å; F178-I181 HydrophobicContact CE1-CD1 4.34Å; F178-I181 PolarHBondContact O-N 2.87Å; Y179-I181 VanDerWaalsContact C-N 3.35Å; Y179-I181 PolarHBondContact O-N 3.24Å; I181-Q183 VanDerWaalsContact C-N 3.33Å; I181-Q183 PolarHBondContact O-N 2.68Å; I181-R184 WeakPolarHBondContact O-CB 3.33Å; I181-R184 PolarHBondContact O-N 2.91Å; I181-Q185 PolarHBondContact O-N 3.32Å; I181-Q185 VanDerWaalsContact O-N 3.08Å
182	K	91.9	Very high	88.4	Confident	148 Å²	148	71.5 Å²	71.5	64%	0.643	35%	0.345	S	S	*	.	H	α-helix	trans	-62.3	-42.1	175.2	-70.7	179.8	-179.7	-176.5	0	111.5	F178 Y179 R184 Q185 K186	F178-K182 WeakPolarHBondContact O-CG 3.4Å; F178-K182 PolarHBondContact O-N 3.24Å; Y179-K182 PolarHBondContact O-N 3.31Å; K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.45Å; K182-Q185 PolarHBondContact O-N 3.04Å; K182-K186 PolarHBondContact O-N 3.36Å; K182-K186 VanDerWaalsContact O-N 3.09Å
183	Q	90.7	Very high	87.3	Confident	34 Å²	34	74.4 Å²	74.4	16%	0.159	36%	0.357	C	S	.	.	H	α-helix	trans	-60.4	-44.1	174.3	-71.7	-165.5	-10.8	0	0	111.6	Y113 Y179 M180 I181 Q185 K186 M187	Y113-Q183 HydrophobicContact CD1-CB 4.31Å; Y113-Q183 HydrophobicContact CE1-CB 3.83Å; Y179-Q183 HydrophobicContact CD1-CG 4.45Å; Y179-Q183 HydrophobicContact CE1-CG 4.03Å; Y179-Q183 PolarHBondContact O-N 3.35Å; Y179-Q183 PolarHBondContact OH-NE2 3.44Å; M180-Q183 PolarHBondContact O-N 3.08Å; I181-Q183 VanDerWaalsContact C-N 3.33Å; I181-Q183 PolarHBondContact O-N 2.68Å; Q183-Q185 VanDerWaalsContact C-N 3.34Å; Q183-Q185 PolarHBondContact O-N 3.35Å; Q183-K186 PolarHBondContact O-N 2.91Å; Q183-K186 VanDerWaalsContact O-N 3.17Å; Q183-M187 WeakPolarHBondContact O-CB 3.41Å; Q183-M187 WeakPolarHBondContact O-CG 3.28Å; Q183-M187 PolarHBondContact O-N 2.95Å
184	R	92.2	Very high	85.7	Confident	77 Å²	77	79.5 Å²	79.5	29%	0.291	38%	0.379	S	S	.	.	H	α-helix	trans	-55.4	-48.4	176.7	177.2	-176.2	-171.8	-85.3	-3.1	112	Y113 F116 M180 I181 K182 K186 M187 L188	Y113-R184 HydrophobicContact CD1-CB 4.42Å; Y113-R184 WeakPolarHBondContact O-CD 3.18Å; Y113-R184 WeakPolarHBondContact O-CG 3.2Å; Y113-R184 PolarHBondContact O-NE 3.21Å; F116-R184 HydrophobicContact CE1-CB 3.98Å; F116-R184 HydrophobicContact CE1-CG 4.43Å; F116-R184 HydrophobicContact CZ-CB 4.33Å; M180-R184 WeakPolarHBondContact O-CB 3.38Å; M180-R184 PolarHBondContact O-N 3.27Å; I181-R184 WeakPolarHBondContact O-CB 3.33Å; I181-R184 PolarHBondContact O-N 2.91Å; K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.45Å; R184-K186 VanDerWaalsContact C-N 3.33Å; R184-K186 PolarHBondContact O-N 3.19Å; R184-M187 PolarHBondContact O-N 2.97Å; R184-L188 HydrophobicContact CG-CD1 3.78Å; R184-L188 HydrophobicContact CG-CG 4.36Å; R184-L188 WeakPolarHBondContact O-CB 3.49Å; R184-L188 PolarHBondContact O-N 3.4Å
185	Q	90.4	Very high	84.1	Confident	103 Å²	103	85.6 Å²	85.6	48%	0.481	40%	0.4	S	S	.	.	I	π-helix	trans	-58.8	-46.4	177.9	-69.4	172.7	-12	0	0	110.8	I181 K182 Q183 M187 I189 G190	I181-Q185 PolarHBondContact O-N 3.32Å; I181-Q185 VanDerWaalsContact O-N 3.08Å; K182-Q185 PolarHBondContact O-N 3.04Å; Q183-Q185 VanDerWaalsContact C-N 3.34Å; Q183-Q185 PolarHBondContact O-N 3.35Å; Q185-M187 PolarHBondContact O-N 3.07Å; Q185-I189 HydrophobicContact CB-CD1 4.27Å; Q185-I189 HydrophobicContact CG-CD1 4.19Å; Q185-I189 WeakPolarHBondContact O-CA 3.38Å; Q185-I189 VanDerWaalsContact O-CB 3.22Å; Q185-I189 WeakPolarHBondContact O-CB 3.45Å; Q185-I189 PolarHBondContact O-N 2.97Å; Q185-G190 PolarHBondContact O-N 2.98Å
186	K	89.3	Confident	82.6	Confident	166 Å²	166	83.4 Å²	83.4	72%	0.722	40%	0.401	S	S	*	.	I	π-helix	trans	-62	-44.9	178.1	-174.4	177.2	179.7	178.2	0	113.1	K182 Q183 R184 G190	K182-K186 PolarHBondContact O-N 3.36Å; K182-K186 VanDerWaalsContact O-N 3.09Å; Q183-K186 PolarHBondContact O-N 2.91Å; Q183-K186 VanDerWaalsContact O-N 3.17Å; R184-K186 VanDerWaalsContact C-N 3.33Å; R184-K186 PolarHBondContact O-N 3.19Å; K186-G190 WeakPolarHBondContact O-CA 3.23Å; K186-G190 PolarHBondContact O-N 3.13Å
187	M	87.1	Confident	80.7	Confident	50 Å²	50	90 Å²	90	25%	0.246	45%	0.449	C	S	.	.	I	π-helix	trans	-79.9	-36.3	-172.5	-56.2	-88.6	-40.5	0	0	112.8	F95 L109 Y113 Q183 R184 Q185 N191	F95-M187 HydrophobicContact CZ-CE 4.06Å; L109-M187 HydrophobicContact CD1-CB 4.34Å; L109-M187 HydrophobicContact CD1-CE 3.48Å; L109-M187 VanDerWaalsContact CD1-CE 3.48Å; Y113-M187 HydrophobicContact CD1-CG 4.15Å; Y113-M187 HydrophobicContact CD2-CB 4Å; Y113-M187 HydrophobicContact CD2-CE 4.37Å; Y113-M187 HydrophobicContact CD2-CG 4.11Å; Y113-M187 HydrophobicContact CE1-CG 3.72Å; Y113-M187 HydrophobicContact CE1-SD 4.38Å; Y113-M187 HydrophobicContact CE2-CB 4.04Å; Y113-M187 HydrophobicContact CE2-CE 3.45Å; Y113-M187 VanDerWaalsContact CE2-CE 3.45Å; Y113-M187 HydrophobicContact CE2-CG 3.72Å; Y113-M187 HydrophobicContact CE2-SD 3.98Å; Y113-M187 HydrophobicContact CG-CB 4.27Å; Y113-M187 HydrophobicContact CG-CG 4.33Å; Y113-M187 VanDerWaalsContact CZ-CG 3.48Å; Y113-M187 PolarHBondContact OH-SD 3.19Å; Y113-M187 VanDerWaalsContact OH-SD 3.39Å; Q183-M187 WeakPolarHBondContact O-CB 3.41Å; Q183-M187 WeakPolarHBondContact O-CG 3.28Å; Q183-M187 PolarHBondContact O-N 2.95Å; R184-M187 PolarHBondContact O-N 2.97Å; Q185-M187 PolarHBondContact O-N 3.07Å; M187-N191 VanDerWaalsContact O-CB 3.27Å; M187-N191 WeakPolarHBondContact O-CB 3.16Å; M187-N191 VanDerWaalsContact O-CG 3.24Å; M187-N191 PolarHBondContact O-ND2 3.21Å
188	L	87.3	Confident	80.1	Confident	15 Å²	15	92.3 Å²	92.3	8%	0.079	46%	0.462	C	S	.	.	I	π-helix	trans	-94.2	-48.3	-176.8	-61.4	-177.2	0	0	0	112	Y106 L109 R184 A192	Y106-L188 HydrophobicContact CE2-CD2 4.46Å; L109-L188 HydrophobicContact CD2-CD2 4.17Å; L109-L188 HydrophobicContact CG-CD2 4Å; R184-L188 HydrophobicContact CG-CD1 3.78Å; R184-L188 HydrophobicContact CG-CG 4.36Å; R184-L188 WeakPolarHBondContact O-CB 3.49Å; R184-L188 PolarHBondContact O-N 3.4Å; L188-A192 WeakPolarHBondContact O-CB 3.36Å; L188-A192 PolarHBondContact O-N 2.92Å
189	I	82.8	Confident	79.3	Confident	88 Å²	88	90.5 Å²	90.5	45%	0.451	46%	0.458	S	S	.	.	I	π-helix	trans	-78.8	-45.2	-177.4	-52.5	174.7	0	0	0	109.9	Q185 N191 A192 Q193	Q185-I189 HydrophobicContact CB-CD1 4.27Å; Q185-I189 HydrophobicContact CG-CD1 4.19Å; Q185-I189 WeakPolarHBondContact O-CA 3.38Å; Q185-I189 VanDerWaalsContact O-CB 3.22Å; Q185-I189 WeakPolarHBondContact O-CB 3.45Å; Q185-I189 PolarHBondContact O-N 2.97Å; I189-N191 VanDerWaalsContact C-N 3.3Å; I189-N191 PolarHBondContact O-N 3.31Å; I189-A192 WeakPolarHBondContact O-CB 3.28Å; I189-A192 PolarHBondContact O-N 3.23Å; I189-A192 VanDerWaalsContact O-N 3.12Å; I189-Q193 PolarHBondContact O-N 2.73Å
190	G	77.7	Confident	78.6	Confident	23 Å²	23	90.8 Å²	90.8	24%	0.237	46%	0.464	C	S	.	.	H	α-helix	trans	-62	-35.3	178.9	0	0	0	0	0	113.5	Q185 K186 K194	Q185-G190 PolarHBondContact O-N 2.98Å; K186-G190 WeakPolarHBondContact O-CA 3.23Å; K186-G190 PolarHBondContact O-N 3.13Å; G190-K194 WeakPolarHBondContact O-CG 3.43Å; G190-K194 PolarHBondContact O-N 2.89Å
191	N	71.7	Confident	77.8	Confident	70 Å²	70	94.7 Å²	94.7	37%	0.374	49%	0.485	S	S	.	.	H	α-helix	trans	-76.4	-28	175.2	-76.4	-18.9	0	0	0	113.1	M187 I189	M187-N191 VanDerWaalsContact O-CB 3.27Å; M187-N191 WeakPolarHBondContact O-CB 3.16Å; M187-N191 VanDerWaalsContact O-CG 3.24Å; M187-N191 PolarHBondContact O-ND2 3.21Å; I189-N191 VanDerWaalsContact C-N 3.3Å; I189-N191 PolarHBondContact O-N 3.31Å
192	A	68.3	Low	76.8	Confident	56 Å²	56	98 Å²	98	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-44.7	173.5	0	0	0	0	0	110.8	L188 I189 K194 K195 T196	L188-A192 WeakPolarHBondContact O-CB 3.36Å; L188-A192 PolarHBondContact O-N 2.92Å; I189-A192 WeakPolarHBondContact O-CB 3.28Å; I189-A192 PolarHBondContact O-N 3.23Å; I189-A192 VanDerWaalsContact O-N 3.12Å; A192-K194 PolarHBondContact O-N 3.27Å; A192-K195 PolarHBondContact O-N 2.81Å; A192-K195 VanDerWaalsContact O-N 3.14Å; A192-T196 PolarHBondContact O-N 2.78Å
193	Q	66.8	Low	75.8	Confident	125 Å²	125	94.7 Å²	94.7	58%	0.584	49%	0.492	S	S	*	.	H	α-helix	trans	-62.4	-39.9	178	-69.9	-179.9	-45.3	0	0	112.7	I189 K195 T196 S197	I189-Q193 PolarHBondContact O-N 2.73Å; Q193-K195 PolarHBondContact O-N 2.96Å; Q193-T196 WeakPolarHBondContact CA-OG1 3.16Å; Q193-T196 PolarHBondContact O-N 3.49Å; Q193-T196 VanDerWaalsContact O-N 3.17Å; Q193-T196 PolarHBondContact O-OG1 2.77Å; Q193-S197 PolarHBondContact O-N 3.33Å
194	K	60.3	Low	74.8	Confident	162 Å²	162	99 Å²	99	70%	0.704	52%	0.516	S	S	*	.	H	α-helix	trans	-65.4	-17.6	176.2	-78.2	-174.6	177.9	-171	0	114.8	G190 A192	G190-K194 WeakPolarHBondContact O-CG 3.43Å; G190-K194 PolarHBondContact O-N 2.89Å; A192-K194 PolarHBondContact O-N 3.27Å
195	K	59.3	Low	73.4	Confident	174 Å²	174	100.7 Å²	100.7	76%	0.757	53%	0.533	S	S	*	.	H	α-helix	trans	-90.1	-19.8	175.7	-73.5	-176.4	176.9	-172	0	112.8	A192 Q193	A192-K195 PolarHBondContact O-N 2.81Å; A192-K195 VanDerWaalsContact O-N 3.14Å; Q193-K195 PolarHBondContact O-N 2.96Å
196	T	62.2	Low	72	Confident	119 Å²	119	100.5 Å²	100.5	73%	0.73	54%	0.538	S	S	*	.	H	α-helix	trans	-93	-15.3	179.5	50.5	0	0	0	0	113.5	A192 Q193	A192-T196 PolarHBondContact O-N 2.78Å; Q193-T196 WeakPolarHBondContact CA-OG1 3.16Å; Q193-T196 PolarHBondContact O-N 3.49Å; Q193-T196 VanDerWaalsContact O-N 3.17Å; Q193-T196 PolarHBondContact O-OG1 2.77Å
197	S	51.5	Low	70.5	Confident	158 Å²	158	94.5 Å²	94.5	100%	1.105	52%	0.521	S	S	*	.			trans	-99.3	0	172.5	-59.8	0	0	0	0	110.4	Q193	Q193-S197 PolarHBondContact O-N 3.33Å

Retrieved 197 of 197 residues in 288.9 ms (Link to these results)

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