A0A077ZJU8_TRITR Loading...

DUF939 C domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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	64.9	Low	85.9	Confident	172 Å²	172	104.3 Å²	104.3	85%	0.847	55%	0.545	S	S	*	.				0	123.3	0	-72.2	-93.2	-83.2	0	0	107.7	V3 L5 I6	M1-V3 PolarHBondContact O-N 2.79Å; M1-L5 HydrophobicContact SD-CD2 4.46Å; M1-I6 HydrophobicContact CB-CD1 4.21Å; M1-I6 HydrophobicContact CE-CG1 4.27Å
2	P	82	Confident	85.7	Confident	80 Å²	80	104.5 Å²	104.5	52%	0.519	55%	0.547	S	S	.	.			trans	-65.5	125.3	178.1	3.5	7.4	0	0	0	108.7	P4 L5 I6	P2-P4 VanDerWaalsContact O-N 3.15Å; P2-L5 HydrophobicContact CB-CB 4.38Å; P2-L5 HydrophobicContact CG-CB 4.03Å; P2-L5 VanDerWaalsContact O-CB 3.25Å; P2-L5 WeakPolarHBondContact O-CB 3.43Å; P2-L5 PolarHBondContact O-N 2.87Å; P2-I6 PolarHBondContact O-N 3.41Å
3	V	85.6	Confident	85.8	Confident	100 Å²	100	104.5 Å²	104.5	61%	0.606	54%	0.544	S	S	*	.	H	α-helix	trans	-46.7	-39.6	174.1	176.4	0	0	0	0	112.6	M1 L5 I6 I7	M1-V3 PolarHBondContact O-N 2.79Å; V3-L5 VanDerWaalsContact C-N 3.27Å; V3-L5 PolarHBondContact O-N 3.01Å; V3-I6 PolarHBondContact O-N 3.06Å; V3-I7 HydrophobicContact CG1-CD1 4Å; V3-I7 PolarHBondContact O-N 2.96Å
4	P	88.2	Confident	86.1	Confident	98 Å²	98	104.6 Å²	104.6	64%	0.636	54%	0.544	S	S	*	.	H	α-helix	trans	-58.3	-33.5	174.5	-27.3	35.9	0	0	0	114.9	P2 N8	P2-P4 VanDerWaalsContact O-N 3.15Å; P4-N8 WeakPolarHBondContact O-CB 3.45Å; P4-N8 PolarHBondContact O-N 3.27Å; P4-N8 VanDerWaalsContact O-N 3.13Å
5	L	87	Confident	86.1	Confident	88 Å²	88	104.5 Å²	104.5	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-67.9	-42.6	179.6	-169.2	74	0	0	0	110.9	M1 P2 V3 N8 E9	M1-L5 HydrophobicContact SD-CD2 4.46Å; P2-L5 HydrophobicContact CB-CB 4.38Å; P2-L5 HydrophobicContact CG-CB 4.03Å; P2-L5 VanDerWaalsContact O-CB 3.25Å; P2-L5 WeakPolarHBondContact O-CB 3.43Å; P2-L5 PolarHBondContact O-N 2.87Å; V3-L5 VanDerWaalsContact C-N 3.27Å; V3-L5 PolarHBondContact O-N 3.01Å; L5-N8 PolarHBondContact O-N 3.33Å; L5-E9 PolarHBondContact O-N 3.42Å; L5-E9 VanDerWaalsContact O-N 3.07Å
6	I	87.7	Confident	85.8	Confident	63 Å²	63	100.8 Å²	100.8	32%	0.323	54%	0.538	S	S	.	.	H	α-helix	trans	-63.2	-48.1	178.9	-63.3	174.2	0	0	0	110.1	M1 P2 V3 N8 E9 Y10	M1-I6 HydrophobicContact CB-CD1 4.21Å; M1-I6 HydrophobicContact CE-CG1 4.27Å; P2-I6 PolarHBondContact O-N 3.41Å; V3-I6 PolarHBondContact O-N 3.06Å; I6-N8 VanDerWaalsContact C-N 3.3Å; I6-N8 PolarHBondContact O-N 3.27Å; I6-E9 PolarHBondContact O-N 3.08Å; I6-Y10 HydrophobicContact CG2-CD2 3.62Å; I6-Y10 HydrophobicContact CG2-CE2 3.6Å; I6-Y10 VanDerWaalsContact O-CD2 3.3Å; I6-Y10 WeakPolarHBondContact O-CD2 3.08Å; I6-Y10 PolarHBondContact O-N 2.92Å
7	I	90.4	Very high	85.9	Confident	96 Å²	96	99.6 Å²	99.6	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-59.8	-42.5	179.1	-65.9	171.3	0	0	0	111.1	V3 E9 Y10 L11	V3-I7 HydrophobicContact CG1-CD1 4Å; V3-I7 PolarHBondContact O-N 2.96Å; I7-E9 PolarHBondContact O-N 2.85Å; I7-Y10 PolarHBondContact O-N 3.36Å; I7-L11 HydrophobicContact CG2-CD1 4Å; I7-L11 HydrophobicContact CG2-CG 4.4Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 2.97Å
8	N	90.8	Very high	85.8	Confident	91 Å²	91	95.9 Å²	95.9	49%	0.487	53%	0.525	S	S	.	.	H	α-helix	trans	-62.6	-42.4	178.6	-174.8	67.4	0	0	0	112.3	P4 L5 I6 L11 L12	P4-N8 WeakPolarHBondContact O-CB 3.45Å; P4-N8 PolarHBondContact O-N 3.27Å; P4-N8 VanDerWaalsContact O-N 3.13Å; L5-N8 PolarHBondContact O-N 3.33Å; I6-N8 VanDerWaalsContact C-N 3.3Å; I6-N8 PolarHBondContact O-N 3.27Å; N8-L11 PolarHBondContact O-N 3.45Å; N8-L12 WeakPolarHBondContact O-CG 3.45Å; N8-L12 PolarHBondContact O-N 2.88Å
9	E	87.9	Confident	85.5	Confident	126 Å²	126	95.2 Å²	95.2	59%	0.589	53%	0.526	S	S	*	.	H	α-helix	trans	-66	-41.5	177.3	-168.5	166.8	-167.3	0	0	111.9	L5 I6 I7 L11 L12 M13	L5-E9 PolarHBondContact O-N 3.42Å; L5-E9 VanDerWaalsContact O-N 3.07Å; I6-E9 PolarHBondContact O-N 3.08Å; I7-E9 PolarHBondContact O-N 2.85Å; E9-L11 PolarHBondContact O-N 2.75Å; E9-L12 PolarHBondContact O-N 3.24Å; E9-M13 WeakPolarHBondContact O-CB 3.18Å; E9-M13 PolarHBondContact O-N 3.04Å
10	Y	91	Very high	85.1	Confident	139 Å²	139	93.1 Å²	93.1	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-60.9	-42.2	172.5	-89.6	-77.7	0	0	0	112.6	I6 I7 M13 I14	I6-Y10 HydrophobicContact CG2-CD2 3.62Å; I6-Y10 HydrophobicContact CG2-CE2 3.6Å; I6-Y10 VanDerWaalsContact O-CD2 3.3Å; I6-Y10 WeakPolarHBondContact O-CD2 3.08Å; I6-Y10 PolarHBondContact O-N 2.92Å; I7-Y10 PolarHBondContact O-N 3.36Å; Y10-M13 HydrophobicContact CD1-CE 3.66Å; Y10-M13 HydrophobicContact CE1-CE 3.95Å; Y10-M13 PolarHBondContact O-N 3.02Å; Y10-I14 VanDerWaalsContact O-CG1 3.3Å; Y10-I14 WeakPolarHBondContact O-CG1 3.48Å; Y10-I14 PolarHBondContact O-N 3.16Å
11	L	89.9	Confident	84.8	Confident	94 Å²	94	92.3 Å²	92.3	49%	0.492	52%	0.516	S	S	.	.	H	α-helix	trans	-65.8	-42.5	177.4	-72.9	171.6	0	0	0	111.9	I7 N8 E9 M13 I14 I15	I7-L11 HydrophobicContact CG2-CD1 4Å; I7-L11 HydrophobicContact CG2-CG 4.4Å; I7-L11 WeakPolarHBondContact O-CG 3.34Å; I7-L11 PolarHBondContact O-N 2.97Å; N8-L11 PolarHBondContact O-N 3.45Å; E9-L11 PolarHBondContact O-N 2.75Å; L11-M13 VanDerWaalsContact C-N 3.33Å; L11-M13 PolarHBondContact O-N 3.01Å; L11-I14 PolarHBondContact O-N 2.9Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.28Å; L11-I15 PolarHBondContact O-N 3.37Å
12	L	82.8	Confident	85.3	Confident	107 Å²	107	86.8 Å²	86.8	56%	0.56	50%	0.497	S	S	*	.	H	α-helix	trans	-61.1	-41.7	174.6	-80.3	166.4	0	0	0	111.8	N8 E9 I15 G16	N8-L12 WeakPolarHBondContact O-CG 3.45Å; N8-L12 PolarHBondContact O-N 2.88Å; E9-L12 PolarHBondContact O-N 3.24Å; L12-I15 PolarHBondContact O-N 3.05Å; L12-G16 PolarHBondContact O-N 3.46Å
13	M	87.3	Confident	84.7	Confident	105 Å²	105	85.8 Å²	85.8	52%	0.517	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-45.5	174.4	-177.2	-179.2	65.7	0	0	111.5	E9 Y10 L11 I15 G16 V17	E9-M13 WeakPolarHBondContact O-CB 3.18Å; E9-M13 PolarHBondContact O-N 3.04Å; Y10-M13 HydrophobicContact CD1-CE 3.66Å; Y10-M13 HydrophobicContact CE1-CE 3.95Å; Y10-M13 PolarHBondContact O-N 3.02Å; L11-M13 VanDerWaalsContact C-N 3.33Å; L11-M13 PolarHBondContact O-N 3.01Å; M13-I15 VanDerWaalsContact C-N 3.32Å; M13-I15 PolarHBondContact O-N 2.96Å; M13-G16 PolarHBondContact O-N 3.23Å; M13-V17 HydrophobicContact CG-CG2 4.28Å; M13-V17 WeakPolarHBondContact O-CB 3.46Å; M13-V17 VanDerWaalsContact O-CG2 3.27Å; M13-V17 WeakPolarHBondContact O-CG2 3.22Å; M13-V17 PolarHBondContact O-N 3.16Å
14	I	90.4	Very high	83.9	Confident	106 Å²	106	85.5 Å²	85.5	54%	0.544	49%	0.491	S	S	.	.	H	α-helix	trans	-61.7	-40.8	177.2	-71.5	167.1	0	0	0	111.1	Y10 L11 G18	Y10-I14 VanDerWaalsContact O-CG1 3.3Å; Y10-I14 WeakPolarHBondContact O-CG1 3.48Å; Y10-I14 PolarHBondContact O-N 3.16Å; L11-I14 PolarHBondContact O-N 2.9Å; I14-G18 WeakPolarHBondContact O-CA 3.44Å; I14-G18 PolarHBondContact O-N 3.05Å
15	I	85.4	Confident	82.8	Confident	103 Å²	103	84.5 Å²	84.5	53%	0.528	48%	0.48	S	S	.	.	H	α-helix	trans	-65.3	-47.5	176.4	-68.4	166	0	0	0	110.3	L11 L12 M13 G18 C19	L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.28Å; L11-I15 PolarHBondContact O-N 3.37Å; L12-I15 PolarHBondContact O-N 3.05Å; M13-I15 VanDerWaalsContact C-N 3.32Å; M13-I15 PolarHBondContact O-N 2.96Å; I15-G18 PolarHBondContact O-N 3.19Å; I15-C19 VanDerWaalsContact O-CB 3.32Å; I15-C19 WeakPolarHBondContact O-CB 3.49Å; I15-C19 PolarHBondContact O-N 3.09Å; I15-C19 PolarHBondContact O-SG 3.17Å
16	G	81.7	Confident	81.8	Confident	45 Å²	45	88.8 Å²	88.8	46%	0.464	49%	0.492	S	S	.	.	H	α-helix	trans	-60.7	-48.8	179.3	0	0	0	0	0	112.5	L12 M13 A20	L12-G16 PolarHBondContact O-N 3.46Å; M13-G16 PolarHBondContact O-N 3.23Å; G16-A20 WeakPolarHBondContact O-CB 3.34Å; G16-A20 PolarHBondContact O-N 3.4Å
17	V	86.8	Confident	80.9	Confident	80 Å²	80	89.4 Å²	89.4	49%	0.485	49%	0.494	S	S	.	.	H	α-helix	trans	-64.8	-43	176.2	173.8	0	0	0	0	110.8	M13 A20 L21	M13-V17 HydrophobicContact CG-CG2 4.28Å; M13-V17 WeakPolarHBondContact O-CB 3.46Å; M13-V17 VanDerWaalsContact O-CG2 3.27Å; M13-V17 WeakPolarHBondContact O-CG2 3.22Å; M13-V17 PolarHBondContact O-N 3.16Å; V17-A20 PolarHBondContact O-N 2.72Å; V17-L21 HydrophobicContact CG1-CD1 3.81Å; V17-L21 HydrophobicContact CG1-CG 4.26Å; V17-L21 WeakPolarHBondContact O-CB 3.26Å; V17-L21 VanDerWaalsContact O-CG 3.25Å; V17-L21 WeakPolarHBondContact O-CG 3.46Å; V17-L21 PolarHBondContact O-N 3.47Å
18	G	84.5	Confident	79.9	Confident	34 Å²	34	88 Å²	88	35%	0.351	49%	0.491	S	S	.	.	H	α-helix	trans	-64.1	-43	179.7	0	0	0	0	0	112.8	I14 I15 L21 A22	I14-G18 WeakPolarHBondContact O-CA 3.44Å; I14-G18 PolarHBondContact O-N 3.05Å; I15-G18 PolarHBondContact O-N 3.19Å; G18-L21 PolarHBondContact O-N 3.18Å; G18-A22 VanDerWaalsContact O-CB 3.29Å; G18-A22 WeakPolarHBondContact O-CB 3.42Å; G18-A22 PolarHBondContact O-N 3.28Å
19	C	80.1	Confident	79.3	Confident	81 Å²	81	89.9 Å²	89.9	55%	0.547	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-40.8	174.1	-72.3	0	0	0	0	111.8	I15 A22 A23	I15-C19 VanDerWaalsContact O-CB 3.32Å; I15-C19 WeakPolarHBondContact O-CB 3.49Å; I15-C19 PolarHBondContact O-N 3.09Å; I15-C19 PolarHBondContact O-SG 3.17Å; C19-A22 PolarHBondContact O-N 3.39Å; C19-A23 WeakPolarHBondContact O-CB 3.38Å; C19-A23 PolarHBondContact O-N 3.07Å
20	A	77.2	Confident	79.1	Confident	53 Å²	53	86.3 Å²	86.3	44%	0.438	49%	0.488	S	S	.	.	H	α-helix	trans	-64.1	-43	175.6	0	0	0	0	0	111.9	G16 V17 A23 N24	G16-A20 WeakPolarHBondContact O-CB 3.34Å; G16-A20 PolarHBondContact O-N 3.4Å; V17-A20 PolarHBondContact O-N 2.72Å; A20-A23 PolarHBondContact O-N 2.82Å; A20-N24 WeakPolarHBondContact O-CB 3.35Å; A20-N24 PolarHBondContact O-N 3.3Å
21	L	78.5	Confident	78.9	Confident	78 Å²	78	83 Å²	83	41%	0.408	48%	0.477	S	S	.	.	H	α-helix	trans	-62.4	-47	173.2	-72.1	171	0	0	0	111	V17 G18 A23 N24 L25	V17-L21 HydrophobicContact CG1-CD1 3.81Å; V17-L21 HydrophobicContact CG1-CG 4.26Å; V17-L21 WeakPolarHBondContact O-CB 3.26Å; V17-L21 VanDerWaalsContact O-CG 3.25Å; V17-L21 WeakPolarHBondContact O-CG 3.46Å; V17-L21 PolarHBondContact O-N 3.47Å; G18-L21 PolarHBondContact O-N 3.18Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-A23 PolarHBondContact O-N 3.31Å; L21-N24 PolarHBondContact O-N 3.48Å; L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 2.93Å
22	A	76.5	Confident	78.9	Confident	55 Å²	55	84.1 Å²	84.1	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-61.5	-40.4	178.5	0	0	0	0	0	112.6	G18 C19 L25 Y26	G18-A22 VanDerWaalsContact O-CB 3.29Å; G18-A22 WeakPolarHBondContact O-CB 3.42Å; G18-A22 PolarHBondContact O-N 3.28Å; C19-A22 PolarHBondContact O-N 3.39Å; A22-L25 PolarHBondContact O-N 3.5Å; A22-Y26 PolarHBondContact O-N 3.25Å; A22-Y26 VanDerWaalsContact O-N 3.1Å
23	A	68.6	Low	79.3	Confident	60 Å²	60	83.2 Å²	83.2	50%	0.496	47%	0.47	S	S	.	.	H	α-helix	trans	-65.5	-41.9	174.5	0	0	0	0	0	111.9	C19 A20 L21 L25 Y26	C19-A23 WeakPolarHBondContact O-CB 3.38Å; C19-A23 PolarHBondContact O-N 3.07Å; A20-A23 PolarHBondContact O-N 2.82Å; L21-A23 VanDerWaalsContact C-N 3.34Å; L21-A23 PolarHBondContact O-N 3.31Å; A23-L25 VanDerWaalsContact C-N 3.28Å; A23-L25 PolarHBondContact O-N 2.89Å; A23-Y26 CarbonylContact O-C 3.57Å; A23-Y26 PolarHBondContact O-N 3.49Å
24	N	68.8	Low	79.6	Confident	93 Å²	93	78.3 Å²	78.3	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-64.7	-32.8	175	-78.6	-14	0	0	0	112.5	A20 L21	A20-N24 WeakPolarHBondContact O-CB 3.35Å; A20-N24 PolarHBondContact O-N 3.3Å; L21-N24 PolarHBondContact O-N 3.48Å
25	L	66.2	Low	79.7	Confident	78 Å²	78	77.3 Å²	77.3	41%	0.408	44%	0.439	S	S	.	.	H	α-helix	trans	-75.3	-25.9	177.6	-69.2	172.9	0	0	0	113.5	L21 A22 A23 F91	L21-L25 WeakPolarHBondContact O-CB 3.44Å; L21-L25 WeakPolarHBondContact O-CG 3.46Å; L21-L25 PolarHBondContact O-N 2.93Å; A22-L25 PolarHBondContact O-N 3.5Å; A23-L25 VanDerWaalsContact C-N 3.28Å; A23-L25 PolarHBondContact O-N 2.89Å; L25-F91 HydrophobicContact CD2-CB 3.54Å; L25-F91 HydrophobicContact CD2-CD2 4.08Å; L25-F91 HydrophobicContact CD2-CG 4.23Å
26	Y	65.7	Low	80.2	Confident	178 Å²	178	76.5 Å²	76.5	70%	0.698	43%	0.433	S	S	*	.			trans	-109.9	84.2	-176.9	-164.5	-101.6	0	0	0	110.8	A22 A23 P28	A22-Y26 PolarHBondContact O-N 3.25Å; A22-Y26 VanDerWaalsContact O-N 3.1Å; A23-Y26 CarbonylContact O-C 3.57Å; A23-Y26 PolarHBondContact O-N 3.49Å; Y26-P28 HydrophobicContact CD1-CG 4.05Å; Y26-P28 HydrophobicContact CE1-CB 4.29Å; Y26-P28 HydrophobicContact CE1-CG 3.65Å; Y26-P28 WeakPolarHBondContact O-CD 3.37Å
27	M	68.4	Low	80.8	Confident	76 Å²	76	74.4 Å²	74.4	37%	0.374	41%	0.411	S	S	.	.			trans	-112.5	71.1	173.7	-65.4	-164.9	-167.9	0	0	112	N29 T30	M27-N29 PolarHBondContact O-N 2.89Å; M27-N29 VanDerWaalsContact O-N 3.13Å; M27-T30 PolarHBondContact O-N 2.86Å; M27-T30 VanDerWaalsContact O-N 3.11Å
28	P	69.5	Low	81.3	Confident	67 Å²	67	71 Å²	71	44%	0.435	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-24.9	-176.8	25.8	-36.3	0	0	0	113.5	Y26 K32	Y26-P28 HydrophobicContact CD1-CG 4.05Å; Y26-P28 HydrophobicContact CE1-CB 4.29Å; Y26-P28 HydrophobicContact CE1-CG 3.65Å; Y26-P28 WeakPolarHBondContact O-CD 3.37Å; P28-K32 WeakPolarHBondContact O-CB 3.49Å; P28-K32 PolarHBondContact O-N 3.36Å; P28-K32 VanDerWaalsContact O-N 3.15Å
29	N	78	Confident	81.8	Confident	130 Å²	130	71.9 Å²	71.9	70%	0.695	39%	0.394	S	S	*	.	H	α-helix	trans	-70.6	-33.3	179	-159.9	32.7	0	0	0	112.2	M27 K33	M27-N29 PolarHBondContact O-N 2.89Å; M27-N29 VanDerWaalsContact O-N 3.13Å; N29-K33 WeakPolarHBondContact O-CB 3.45Å; N29-K33 PolarHBondContact O-N 3.09Å
30	T	83.5	Confident	82.6	Confident	50 Å²	50	71.1 Å²	71.1	31%	0.307	39%	0.387	S	S	.	.	H	α-helix	trans	-72.2	-45.2	179.2	-51.6	0	0	0	0	111	M27 K32 K33 I34 Y86	M27-T30 PolarHBondContact O-N 2.86Å; M27-T30 VanDerWaalsContact O-N 3.11Å; T30-K32 PolarHBondContact O-N 2.77Å; T30-K33 WeakPolarHBondContact O-CB 3.03Å; T30-K33 PolarHBondContact O-N 3.48Å; T30-I34 HydrophobicContact CG2-CD1 4.19Å; T30-I34 WeakPolarHBondContact O-CG1 3.31Å; T30-I34 PolarHBondContact O-N 2.98Å; T30-Y86 HydrophobicContact CG2-CD2 3.8Å; T30-Y86 HydrophobicContact CG2-CG 4.39Å
31	E	87.6	Confident	83.5	Confident	70 Å²	70	68.6 Å²	68.6	33%	0.327	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-46.8	176.4	-170.9	176.5	165.6	0	0	111.6	K33 I34 Q35 Y86 Y98	E31-K33 VanDerWaalsContact C-N 3.27Å; E31-K33 PolarHBondContact O-N 3.22Å; E31-I34 WeakPolarHBondContact O-CB 2.95Å; E31-I34 PolarHBondContact O-N 3.38Å; E31-I34 VanDerWaalsContact O-N 3.12Å; E31-Q35 WeakPolarHBondContact O-CG 3.39Å; E31-Q35 PolarHBondContact O-N 2.91Å; E31-Y86 HydrophobicContact CB-CE2 3.64Å; E31-Y86 HydrophobicContact CG-CE2 4.27Å; E31-Y86 WeakPolarHBondContact CG-OH 3.41Å; E31-Y86 PolarHBondContact OE2-OH 3.49Å; E31-Y98 HydrophobicContact CG-CE2 4.04Å
32	K	88.7	Confident	84.4	Confident	117 Å²	117	66.8 Å²	66.8	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-57.3	-42.9	175.7	-173.7	-175.4	175.6	-170.3	0	111.4	P28 T30 I34 Q35 E36	P28-K32 WeakPolarHBondContact O-CB 3.49Å; P28-K32 PolarHBondContact O-N 3.36Å; P28-K32 VanDerWaalsContact O-N 3.15Å; T30-K32 PolarHBondContact O-N 2.77Å; K32-I34 VanDerWaalsContact C-N 3.33Å; K32-I34 PolarHBondContact O-N 3.49Å; K32-Q35 PolarHBondContact O-N 3.07Å; K32-E36 WeakPolarHBondContact CE-OE1 3.44Å; K32-E36 WeakPolarHBondContact O-CG 3.25Å; K32-E36 PolarHBondContact O-N 3.47Å
33	K	91.7	Very high	85.3	Confident	89 Å²	89	68.8 Å²	68.8	39%	0.387	36%	0.361	S	S	.	.	H	α-helix	trans	-63.2	-40.1	177.9	-179.1	57.4	-175.5	145.7	0	112	N29 T30 E31 E36 D37	N29-K33 WeakPolarHBondContact O-CB 3.45Å; N29-K33 PolarHBondContact O-N 3.09Å; T30-K33 WeakPolarHBondContact O-CB 3.03Å; T30-K33 PolarHBondContact O-N 3.48Å; E31-K33 VanDerWaalsContact C-N 3.27Å; E31-K33 PolarHBondContact O-N 3.22Å; K33-E36 WeakPolarHBondContact O-CB 3.44Å; K33-E36 PolarHBondContact O-N 2.99Å; K33-D37 WeakPolarHBondContact CE-OD1 3.5Å; K33-D37 IonicContact NZ-OD1 3.91Å; K33-D37 PolarHBondContact NZ-OD1 2.97Å; K33-D37 PolarHBondContact O-N 3.41Å
34	I	93.7	Very high	86.5	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-63.4	-43.2	175.5	-74.5	164.1	0	0	0	111.2	T30 E31 K32 E36 D37 Q38 Y86 Y98 F102	T30-I34 HydrophobicContact CG2-CD1 4.19Å; T30-I34 WeakPolarHBondContact O-CG1 3.31Å; T30-I34 PolarHBondContact O-N 2.98Å; E31-I34 WeakPolarHBondContact O-CB 2.95Å; E31-I34 PolarHBondContact O-N 3.38Å; E31-I34 VanDerWaalsContact O-N 3.12Å; K32-I34 VanDerWaalsContact C-N 3.33Å; K32-I34 PolarHBondContact O-N 3.49Å; I34-E36 PolarHBondContact O-N 3.29Å; I34-D37 WeakPolarHBondContact O-CB 3.48Å; I34-D37 PolarHBondContact O-N 2.78Å; I34-D37 VanDerWaalsContact O-N 3.13Å; I34-Q38 WeakPolarHBondContact O-CG 3.37Å; I34-Q38 PolarHBondContact O-N 3.22Å; I34-Y86 HydrophobicContact CD1-CD1 3.99Å; I34-Y86 HydrophobicContact CD1-CD2 4.07Å; I34-Y86 HydrophobicContact CD1-CG 3.54Å; I34-Y98 HydrophobicContact CG2-CD1 3.32Å; I34-Y98 HydrophobicContact CG2-CD2 3.84Å; I34-Y98 HydrophobicContact CG2-CE1 3.76Å; I34-Y98 HydrophobicContact CG2-CE2 4.2Å; I34-Y98 HydrophobicContact CG2-CG 3.37Å; I34-F102 HydrophobicContact CG2-CE2 3.95Å; I34-F102 HydrophobicContact CG2-CZ 4.43Å
35	Q	93.5	Very high	87.9	Confident	86 Å²	86	63.3 Å²	63.3	40%	0.402	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-40.4	176.1	-67.9	170.3	-5.3	0	0	112	E31 K32 D37 Q38 A39 Y98	E31-Q35 WeakPolarHBondContact O-CG 3.39Å; E31-Q35 PolarHBondContact O-N 2.91Å; K32-Q35 PolarHBondContact O-N 3.07Å; Q35-D37 VanDerWaalsContact C-N 3.3Å; Q35-D37 PolarHBondContact O-N 3.2Å; Q35-Q38 WeakPolarHBondContact O-CB 3.39Å; Q35-Q38 PolarHBondContact O-N 2.9Å; Q35-A39 PolarHBondContact O-N 2.9Å; Q35-Y98 HydrophobicContact CG-CE1 4.26Å; Q35-Y98 WeakPolarHBondContact CG-OH 3.35Å; Q35-Y98 PolarHBondContact NE2-OH 2.8Å; Q35-Y98 VanDerWaalsContact NE2-OH 3.08Å
36	E	94	Very high	89.3	Confident	86 Å²	86	62.2 Å²	62.2	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-41.9	171.6	-71.7	170	-174.6	0	0	111.3	K32 K33 I34 A39 V40	K32-E36 WeakPolarHBondContact CE-OE1 3.44Å; K32-E36 WeakPolarHBondContact O-CG 3.25Å; K32-E36 PolarHBondContact O-N 3.47Å; K33-E36 WeakPolarHBondContact O-CB 3.44Å; K33-E36 PolarHBondContact O-N 2.99Å; I34-E36 PolarHBondContact O-N 3.29Å; E36-A39 PolarHBondContact O-N 2.93Å; E36-V40 WeakPolarHBondContact O-CG2 3.4Å; E36-V40 PolarHBondContact O-N 2.95Å
37	D	95.9	Very high	90.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-39.4	176.8	-64.1	-19.7	0	0	0	111.6	K33 I34 Q35 A39 V40 V41 F75 A79 R82 F102	K33-D37 WeakPolarHBondContact CE-OD1 3.5Å; K33-D37 IonicContact NZ-OD1 3.91Å; K33-D37 PolarHBondContact NZ-OD1 2.97Å; K33-D37 PolarHBondContact O-N 3.41Å; I34-D37 WeakPolarHBondContact O-CB 3.48Å; I34-D37 PolarHBondContact O-N 2.78Å; I34-D37 VanDerWaalsContact O-N 3.13Å; Q35-D37 VanDerWaalsContact C-N 3.3Å; Q35-D37 PolarHBondContact O-N 3.2Å; D37-A39 PolarHBondContact O-N 3.5Å; D37-V40 PolarHBondContact O-N 3.11Å; D37-V41 VanDerWaalsContact O-CG2 3.27Å; D37-V41 WeakPolarHBondContact O-CG2 3.36Å; D37-V41 PolarHBondContact O-N 3.33Å; D37-F75 HydrophobicContact CB-CE1 3.96Å; D37-F75 HydrophobicContact CB-CZ 3.87Å; D37-F75 WeakPolarHBondContact OD1-CZ 3.49Å; D37-A79 HydrophobicContact CB-CB 4.01Å; D37-R82 IonicContact OD1-NH2 3.68Å; D37-R82 IonicContact OD2-CZ 2.77Å; D37-R82 IonicContact OD2-NE 2.83Å; D37-R82 PolarHBondContact OD2-NE 3.49Å; D37-R82 IonicContact OD2-NH2 3.69Å; D37-R82 PolarHBondContact OD2-NH2 2.98Å; D37-F102 HydrophobicContact CB-CE1 4.28Å; D37-F102 HydrophobicContact CB-CZ 3.84Å
38	Q	96.6	Very high	91.9	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-45	172.9	-64.8	-179	-74.5	0	0	111.8	I34 Q35 V40 V41 E42 Y98 Y101 F102 E145	I34-Q38 WeakPolarHBondContact O-CG 3.37Å; I34-Q38 PolarHBondContact O-N 3.22Å; Q35-Q38 WeakPolarHBondContact O-CB 3.39Å; Q35-Q38 PolarHBondContact O-N 2.9Å; Q38-V40 PolarHBondContact O-N 3.14Å; Q38-V41 PolarHBondContact O-N 2.91Å; Q38-E42 PolarHBondContact O-N 3.24Å; Q38-Y98 VanDerWaalsContact OE1-CE1 3.23Å; Q38-Y101 HydrophobicContact CB-CD1 4.48Å; Q38-Y101 HydrophobicContact CB-CE1 3.81Å; Q38-Y101 HydrophobicContact CG-CD1 3.73Å; Q38-Y101 HydrophobicContact CG-CE1 3.56Å; Q38-Y101 HydrophobicContact CG-CG 4.39Å; Q38-F102 HydrophobicContact CG-CE1 4.22Å; Q38-F102 HydrophobicContact CG-CE2 4.37Å; Q38-F102 HydrophobicContact CG-CZ 3.72Å; Q38-E145 PolarHBondContact NE2-OE1 3.36Å
39	A	95.3	Very high	93.2	Very high	53 Å²	53	51.9 Å²	51.9	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-62.5	-42.2	178.6	0	0	0	0	0	112	Q35 E36 D37 V41 E42 V43	Q35-A39 PolarHBondContact O-N 2.9Å; E36-A39 PolarHBondContact O-N 2.93Å; D37-A39 PolarHBondContact O-N 3.5Å; A39-V41 VanDerWaalsContact C-N 3.32Å; A39-V41 PolarHBondContact O-N 2.83Å; A39-E42 PolarHBondContact O-N 3Å; A39-V43 WeakPolarHBondContact O-CB 3.45Å; A39-V43 VanDerWaalsContact O-CG2 3.3Å; A39-V43 WeakPolarHBondContact O-CG2 3.39Å; A39-V43 PolarHBondContact O-N 2.83Å
40	V	95.8	Very high	94	Very high	66 Å²	66	46.7 Å²	46.7	40%	0.4	25%	0.246	S	C	.	.	H	α-helix	trans	-59.2	-44.8	174.6	169.8	0	0	0	0	110.8	E36 D37 Q38 S44 F75	E36-V40 WeakPolarHBondContact O-CG2 3.4Å; E36-V40 PolarHBondContact O-N 2.95Å; D37-V40 PolarHBondContact O-N 3.11Å; Q38-V40 PolarHBondContact O-N 3.14Å; V40-S44 VanDerWaalsContact O-CB 3.24Å; V40-S44 WeakPolarHBondContact O-CB 3.01Å; V40-S44 PolarHBondContact O-N 3.17Å; V40-S44 PolarHBondContact O-OG 2.94Å; V40-F75 HydrophobicContact CB-CE1 4.07Å; V40-F75 HydrophobicContact CB-CZ 4Å; V40-F75 HydrophobicContact CG1-CD1 4.37Å; V40-F75 HydrophobicContact CG1-CE1 3.85Å; V40-F75 HydrophobicContact CG1-CE2 4.33Å; V40-F75 HydrophobicContact CG1-CZ 3.81Å; V40-F75 HydrophobicContact CG2-CZ 4.48Å
41	V	97.3	Very high	94.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.6	-48.4	179.8	174.3	0	0	0	0	111.4	D37 Q38 A39 S44 M45 L72 F75 V76 F102 R105	D37-V41 VanDerWaalsContact O-CG2 3.27Å; D37-V41 WeakPolarHBondContact O-CG2 3.36Å; D37-V41 PolarHBondContact O-N 3.33Å; Q38-V41 PolarHBondContact O-N 2.91Å; A39-V41 VanDerWaalsContact C-N 3.32Å; A39-V41 PolarHBondContact O-N 2.83Å; V41-S44 PolarHBondContact O-N 3.45Å; V41-M45 HydrophobicContact CG1-CG 4.38Å; V41-M45 HydrophobicContact CG1-SD 3.78Å; V41-M45 WeakPolarHBondContact O-CB 3.37Å; V41-M45 VanDerWaalsContact O-CG 3.28Å; V41-M45 WeakPolarHBondContact O-CG 3.45Å; V41-M45 PolarHBondContact O-N 3.04Å; V41-L72 HydrophobicContact CG2-CD1 4.28Å; V41-F75 HydrophobicContact CG2-CD1 3.84Å; V41-F75 HydrophobicContact CG2-CE1 3.81Å; V41-V76 HydrophobicContact CB-CG2 4.34Å; V41-V76 HydrophobicContact CG1-CG2 3.88Å; V41-V76 HydrophobicContact CG2-CG2 3.43Å; V41-V76 VanDerWaalsContact CG2-CG2 3.43Å; V41-F102 HydrophobicContact CG2-CE1 4.14Å; V41-R105 HydrophobicContact CG1-CB 3.9Å; V41-R105 HydrophobicContact CG1-CG 3.75Å
42	E	96.4	Very high	94.8	Very high	40 Å²	40	42.3 Å²	42.3	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-52.1	179.4	-179.1	172.7	126.6	0	0	112.1	Q38 A39 S44 M45 K46 R105 A144 E145	Q38-E42 PolarHBondContact O-N 3.24Å; A39-E42 PolarHBondContact O-N 3Å; E42-S44 VanDerWaalsContact C-N 3.28Å; E42-S44 PolarHBondContact O-N 3.39Å; E42-M45 PolarHBondContact O-N 3.37Å; E42-K46 HydrophobicContact CG-CD 3.94Å; E42-K46 HydrophobicContact CG-CG 4.42Å; E42-K46 VanDerWaalsContact O-CG 3.29Å; E42-K46 WeakPolarHBondContact O-CG 3.43Å; E42-K46 PolarHBondContact O-N 3.13Å; E42-R105 IonicContact OE2-NH2 3.78Å; E42-A144 VanDerWaalsContact OE2-C 3.31Å; E42-A144 VanDerWaalsContact OE2-CA 3.27Å; E42-A144 WeakPolarHBondContact OE2-CA 3.27Å; E42-E145 PolarHBondContact OE2-N 2.92Å
43	V	95.2	Very high	95	Very high	96 Å²	96	37 Å²	37	58%	0.582	20%	0.2	S	C	*	.	H	α-helix	trans	-58.8	-42.9	179.6	170.3	0	0	0	0	110.9	A39 K46 K47	A39-V43 WeakPolarHBondContact O-CB 3.45Å; A39-V43 VanDerWaalsContact O-CG2 3.3Å; A39-V43 WeakPolarHBondContact O-CG2 3.39Å; A39-V43 PolarHBondContact O-N 2.83Å; V43-K46 PolarHBondContact O-N 2.9Å; V43-K47 WeakPolarHBondContact O-CB 3.35Å; V43-K47 PolarHBondContact O-N 3.16Å
44	S	95.3	Very high	94.9	Very high	38 Å²	38	35.1 Å²	35.1	27%	0.266	20%	0.2	S	C	.	.	H	α-helix	trans	-66.5	-41.3	-179.5	-57.3	0	0	0	0	112	V40 V41 E42 M48 L72	V40-S44 VanDerWaalsContact O-CB 3.24Å; V40-S44 WeakPolarHBondContact O-CB 3.01Å; V40-S44 PolarHBondContact O-N 3.17Å; V40-S44 PolarHBondContact O-OG 2.94Å; V41-S44 PolarHBondContact O-N 3.45Å; E42-S44 VanDerWaalsContact C-N 3.28Å; E42-S44 PolarHBondContact O-N 3.39Å; S44-M48 WeakPolarHBondContact O-CB 3.44Å; S44-M48 PolarHBondContact O-N 3.22Å; S44-L72 VanDerWaalsContact CB-CD2 3.47Å
45	M	97.1	Very high	94.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-42.2	176.5	-70.8	-179	67.7	0	0	112.3	V41 E42 M48 L49 L72 Q108 L109 L143 F191	V41-M45 HydrophobicContact CG1-CG 4.38Å; V41-M45 HydrophobicContact CG1-SD 3.78Å; V41-M45 WeakPolarHBondContact O-CB 3.37Å; V41-M45 VanDerWaalsContact O-CG 3.28Å; V41-M45 WeakPolarHBondContact O-CG 3.45Å; V41-M45 PolarHBondContact O-N 3.04Å; E42-M45 PolarHBondContact O-N 3.37Å; M45-M48 PolarHBondContact O-N 3.38Å; M45-L49 WeakPolarHBondContact O-CG 3.45Å; M45-L49 PolarHBondContact O-N 3.45Å; M45-L72 HydrophobicContact CG-CD2 3.88Å; M45-Q108 HydrophobicContact CE-CB 3.74Å; M45-Q108 HydrophobicContact CE-CG 4.49Å; M45-L109 HydrophobicContact CG-CD2 4.17Å; M45-L109 HydrophobicContact SD-CD2 4.44Å; M45-L109 HydrophobicContact SD-CG 4.39Å; M45-L143 HydrophobicContact CB-CD2 4.01Å; M45-F191 HydrophobicContact CE-CE2 3.4Å; M45-F191 VanDerWaalsContact CE-CE2 3.4Å; M45-F191 HydrophobicContact CE-CZ 3.42Å; M45-F191 VanDerWaalsContact CE-CZ 3.42Å
46	K	96.6	Very high	94.5	Very high	55 Å²	55	32.9 Å²	32.9	24%	0.239	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-47.6	174.6	-71.4	176.8	86.7	146.5	0	111.4	E42 V43 M48 L49 G50 A140 Q141 L143	E42-K46 HydrophobicContact CG-CD 3.94Å; E42-K46 HydrophobicContact CG-CG 4.42Å; E42-K46 VanDerWaalsContact O-CG 3.29Å; E42-K46 WeakPolarHBondContact O-CG 3.43Å; E42-K46 PolarHBondContact O-N 3.13Å; V43-K46 PolarHBondContact O-N 2.9Å; K46-M48 VanDerWaalsContact C-N 3.33Å; K46-M48 PolarHBondContact O-N 2.95Å; K46-L49 PolarHBondContact O-N 2.89Å; K46-G50 PolarHBondContact O-N 3.43Å; K46-A140 WeakPolarHBondContact CB-O 3.18Å; K46-A140 WeakPolarHBondContact CE-O 3.1Å; K46-A140 WeakPolarHBondContact CG-O 3.23Å; K46-A140 WeakPolarHBondContact O-CB 3.09Å; K46-Q141 PolarHBondContact NZ-O 3.16Å; K46-Q141 VanDerWaalsContact NZ-O 3.09Å; K46-L143 VanDerWaalsContact CD-O 3.23Å; K46-L143 WeakPolarHBondContact CD-O 3.38Å; K46-L143 VanDerWaalsContact CE-O 3.31Å; K46-L143 WeakPolarHBondContact CE-O 3.42Å; K46-L143 HydrophobicContact CG-CB 4.09Å; K46-L143 HydrophobicContact CG-CD2 4.35Å; K46-L143 PolarHBondContact NZ-O 3.02Å
47	K	93.9	Very high	94.1	Very high	103 Å²	103	30.8 Å²	30.8	45%	0.448	18%	0.18	S	C	.	.	H	α-helix	trans	-57	-47.3	175.9	-176	-158.2	168.6	-146.7	0	111	V43 L49 G50 Q51 E68	V43-K47 WeakPolarHBondContact O-CB 3.35Å; V43-K47 PolarHBondContact O-N 3.16Å; K47-L49 PolarHBondContact O-N 2.83Å; K47-G50 PolarHBondContact O-N 3.12Å; K47-Q51 WeakPolarHBondContact O-CG 3.39Å; K47-Q51 PolarHBondContact O-N 2.98Å; K47-Q51 PolarHBondContact O-OE1 3.21Å; K47-E68 IonicContact NZ-OE1 2.86Å; K47-E68 PolarHBondContact NZ-OE1 2.86Å; K47-E68 IonicContact NZ-OE2 3.64Å; K47-E68 PolarHBondContact NZ-OE2 3.47Å
48	M	94.7	Very high	93.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-43.6	-179	-164.3	166.7	-75.4	0	0	112.3	S44 M45 K46 Q51 M52 L65 E68 C69 L112	S44-M48 WeakPolarHBondContact O-CB 3.44Å; S44-M48 PolarHBondContact O-N 3.22Å; M45-M48 PolarHBondContact O-N 3.38Å; K46-M48 VanDerWaalsContact C-N 3.33Å; K46-M48 PolarHBondContact O-N 2.95Å; M48-Q51 PolarHBondContact O-N 3.42Å; M48-M52 VanDerWaalsContact O-CG 3.27Å; M48-M52 WeakPolarHBondContact O-CG 3.24Å; M48-M52 PolarHBondContact O-N 3.13Å; M48-L65 HydrophobicContact CG-CD2 4.43Å; M48-E68 HydrophobicContact CE-CB 3.57Å; M48-C69 HydrophobicContact CE-CB 3.86Å; M48-C69 VanDerWaalsContact CE-N 3.25Å; M48-C69 HydrophobicContact SD-CB 3.76Å; M48-L112 HydrophobicContact CB-CD1 4.45Å; M48-L112 HydrophobicContact CG-CD1 4.11Å; M48-L112 HydrophobicContact CG-CD2 3.84Å; M48-L112 HydrophobicContact SD-CD1 3.72Å; M48-L112 HydrophobicContact SD-CD2 3.19Å; M48-L112 WeakPolarHBondContact SD-CD2 3.28Å; M48-L112 HydrophobicContact SD-CG 4.12Å
49	L	96.5	Very high	92.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-43.2	174.3	-73	165.7	0	0	0	111.9	M45 K46 K47 Q51 M52 S53 T139 A140 L143 F188 F191	M45-L49 WeakPolarHBondContact O-CG 3.45Å; M45-L49 PolarHBondContact O-N 3.45Å; K46-L49 PolarHBondContact O-N 2.89Å; K47-L49 PolarHBondContact O-N 2.83Å; L49-Q51 VanDerWaalsContact C-N 3.32Å; L49-Q51 PolarHBondContact O-N 3.11Å; L49-M52 PolarHBondContact O-N 3.12Å; L49-S53 PolarHBondContact O-N 3.3Å; L49-T139 HydrophobicContact CD1-CG2 3.68Å; L49-A140 HydrophobicContact CB-CB 3.84Å; L49-L143 HydrophobicContact CD1-CD2 3.87Å; L49-F188 HydrophobicContact CD2-CE2 4.39Å; L49-F191 HydrophobicContact CD1-CE1 4.22Å; L49-F191 HydrophobicContact CD1-CZ 4.15Å
50	G	95	Very high	91.2	Very high	21 Å²	21	38.9 Å²	38.9	22%	0.216	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-37.2	175	0	0	0	0	0	112.6	K46 K47 S53 A54	K46-G50 PolarHBondContact O-N 3.43Å; K47-G50 PolarHBondContact O-N 3.12Å; G50-S53 WeakPolarHBondContact O-CB 3.45Å; G50-S53 PolarHBondContact O-N 3.49Å; G50-A54 PolarHBondContact O-N 3.23Å; G50-A54 VanDerWaalsContact O-N 3.13Å
51	Q	93.4	Very high	90.3	Very high	28 Å²	28	40.2 Å²	40.2	13%	0.131	23%	0.231	C	C	.	.	H	α-helix	trans	-69.9	-40.2	174	-70.1	170.5	-64.6	0	0	112.1	K47 M48 L49 S53 A54 Y55 L65 E68	K47-Q51 WeakPolarHBondContact O-CG 3.39Å; K47-Q51 PolarHBondContact O-N 2.98Å; K47-Q51 PolarHBondContact O-OE1 3.21Å; M48-Q51 PolarHBondContact O-N 3.42Å; L49-Q51 VanDerWaalsContact C-N 3.32Å; L49-Q51 PolarHBondContact O-N 3.11Å; Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-S53 PolarHBondContact O-N 3.29Å; Q51-A54 CarbonylContact O-C 3.55Å; Q51-A54 PolarHBondContact O-N 2.84Å; Q51-A54 VanDerWaalsContact O-N 3.12Å; Q51-Y55 HydrophobicContact CB-CD2 4.28Å; Q51-Y55 HydrophobicContact CB-CE2 3.87Å; Q51-Y55 HydrophobicContact CG-CE2 4.39Å; Q51-Y55 VanDerWaalsContact O-CB 3.29Å; Q51-Y55 WeakPolarHBondContact O-CB 3.34Å; Q51-Y55 WeakPolarHBondContact O-CD1 3.26Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.47Å; Q51-Y55 PolarHBondContact O-N 2.91Å; Q51-L65 HydrophobicContact CB-CD1 3.97Å; Q51-L65 HydrophobicContact CB-CD2 3.58Å; Q51-L65 HydrophobicContact CB-CG 4.37Å; Q51-L65 VanDerWaalsContact CD-CD2 3.44Å; Q51-L65 HydrophobicContact CG-CD2 4.12Å; Q51-E68 PolarHBondContact OE1-OE2 3.18Å
52	M	94.2	Very high	89.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.1	-44	173.2	-71.3	171.7	66.3	0	0	111.1	M48 L49 A54 Y55 L56 L65 L112 M115 L116 L119 F136	M48-M52 VanDerWaalsContact O-CG 3.27Å; M48-M52 WeakPolarHBondContact O-CG 3.24Å; M48-M52 PolarHBondContact O-N 3.13Å; L49-M52 PolarHBondContact O-N 3.12Å; M52-A54 VanDerWaalsContact C-N 3.29Å; M52-A54 PolarHBondContact O-N 3.26Å; M52-Y55 PolarHBondContact O-N 3.04Å; M52-L56 PolarHBondContact O-N 3.39Å; M52-L65 HydrophobicContact CG-CD1 3.96Å; M52-L112 HydrophobicContact SD-CD2 4.05Å; M52-L112 HydrophobicContact SD-CG 4.08Å; M52-M115 HydrophobicContact CE-CB 3.7Å; M52-M115 HydrophobicContact CE-CE 4.15Å; M52-M115 HydrophobicContact CE-SD 4.08Å; M52-L116 HydrophobicContact CG-CD2 3.86Å; M52-L116 HydrophobicContact SD-CD2 4.09Å; M52-L119 HydrophobicContact CB-CD2 3.99Å; M52-L119 HydrophobicContact CE-CD2 4.44Å; M52-L119 HydrophobicContact CG-CD2 3.98Å; M52-F136 HydrophobicContact CB-CD2 3.83Å; M52-F136 HydrophobicContact CB-CE2 4.04Å; M52-F136 HydrophobicContact CE-CE1 4.48Å; M52-F136 HydrophobicContact CE-CE2 3.93Å; M52-F136 HydrophobicContact CE-CZ 3.85Å
53	S	93.9	Very high	89	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-53.1	-46.2	172	170	0	0	0	0	111.8	L49 G50 Q51 R133 E137	L49-S53 PolarHBondContact O-N 3.3Å; G50-S53 WeakPolarHBondContact O-CB 3.45Å; G50-S53 PolarHBondContact O-N 3.49Å; Q51-S53 VanDerWaalsContact C-N 3.33Å; Q51-S53 PolarHBondContact O-N 3.29Å; S53-R133 PolarHBondContact O-NE 3.36Å; S53-R133 WeakPolarHBondContact OG-CG 3.27Å; S53-R133 PolarHBondContact OG-O 3.37Å; S53-E137 PolarHBondContact OG-OE2 2.96Å
54	A	89.5	Confident	88.6	Confident	48 Å²	48	42.9 Å²	42.9	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-74.5	-24.4	179.9	0	0	0	0	0	114.3	G50 Q51 M52 Q58	G50-A54 PolarHBondContact O-N 3.23Å; G50-A54 VanDerWaalsContact O-N 3.13Å; Q51-A54 CarbonylContact O-C 3.55Å; Q51-A54 PolarHBondContact O-N 2.84Å; Q51-A54 VanDerWaalsContact O-N 3.12Å; M52-A54 VanDerWaalsContact C-N 3.29Å; M52-A54 PolarHBondContact O-N 3.26Å; A54-Q58 PolarHBondContact O-NE2 3.42Å
55	Y	88.8	Confident	88.3	Confident	38 Å²	38	41 Å²	41	15%	0.149	23%	0.227	C	C	.	.	H	α-helix	trans	-103.4	4.9	-170.9	-60.2	-8.2	0	0	0	114.1	Q51 M52 N57 Q58 K61 L65	Q51-Y55 HydrophobicContact CB-CD2 4.28Å; Q51-Y55 HydrophobicContact CB-CE2 3.87Å; Q51-Y55 HydrophobicContact CG-CE2 4.39Å; Q51-Y55 VanDerWaalsContact O-CB 3.29Å; Q51-Y55 WeakPolarHBondContact O-CB 3.34Å; Q51-Y55 WeakPolarHBondContact O-CD1 3.26Å; Q51-Y55 WeakPolarHBondContact O-CD2 3.47Å; Q51-Y55 PolarHBondContact O-N 2.91Å; M52-Y55 PolarHBondContact O-N 3.04Å; Y55-N57 PolarHBondContact O-N 3.37Å; Y55-Q58 WeakPolarHBondContact O-CA 3.49Å; Y55-Q58 WeakPolarHBondContact O-CB 3.29Å; Y55-Q58 PolarHBondContact O-N 3.42Å; Y55-K61 HydrophobicContact CD1-CB 4.08Å; Y55-K61 HydrophobicContact CD1-CD 3.48Å; Y55-K61 VanDerWaalsContact CD1-CD 3.48Å; Y55-K61 HydrophobicContact CD1-CG 4.44Å; Y55-K61 HydrophobicContact CD2-CB 3.38Å; Y55-K61 HydrophobicContact CD2-CD 4.29Å; Y55-K61 HydrophobicContact CD2-CG 4.49Å; Y55-K61 HydrophobicContact CE1-CB 4.19Å; Y55-K61 HydrophobicContact CE1-CD 3.3Å; Y55-K61 HydrophobicContact CE1-CG 4.39Å; Y55-K61 HydrophobicContact CE2-CB 3.47Å; Y55-K61 VanDerWaalsContact CE2-CB 3.47Å; Y55-K61 HydrophobicContact CE2-CD 4.13Å; Y55-K61 HydrophobicContact CE2-CG 4.41Å; Y55-K61 HydrophobicContact CG-CB 3.73Å; Y55-K61 HydrophobicContact CG-CD 4.02Å; Y55-L65 HydrophobicContact CD2-CD1 3.52Å; Y55-L65 HydrophobicContact CD2-CG 4Å; Y55-L65 HydrophobicContact CE2-CD1 3.9Å; Y55-L65 HydrophobicContact CE2-CD2 4.14Å; Y55-L65 HydrophobicContact CE2-CG 3.93Å
56	L	88.5	Confident	88.1	Confident	2 Å²	2	43 Å²	43	1%	0.01	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	124.1	164.9	-71.5	161.1	0	0	0	110.1	M52 Q58 L119 L122 V129 L132 R133 F136 L184	M52-L56 PolarHBondContact O-N 3.39Å; L56-Q58 VanDerWaalsContact C-N 3.33Å; L56-Q58 PolarHBondContact O-N 3.17Å; L56-L119 HydrophobicContact CD2-CD1 3.67Å; L56-L119 HydrophobicContact CG-CD1 4.25Å; L56-L122 HydrophobicContact CD2-CD2 3.61Å; L56-V129 HydrophobicContact CB-CB 4.26Å; L56-V129 HydrophobicContact CB-CG2 4.3Å; L56-V129 HydrophobicContact CD1-CB 4.42Å; L56-V129 HydrophobicContact CD2-CB 4.48Å; L56-L132 HydrophobicContact CD1-CB 4.4Å; L56-R133 HydrophobicContact CD1-CB 3.57Å; L56-R133 HydrophobicContact CD1-CG 4.3Å; L56-F136 HydrophobicContact CD1-CD2 4.46Å; L56-F136 HydrophobicContact CD2-CE2 4.4Å; L56-L184 HydrophobicContact CD2-CD2 4.21Å
57	N	86	Confident	87.9	Confident	42 Å²	42	45.2 Å²	45.2	23%	0.225	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	24.1	-171.5	-57.6	-26.5	0	0	0	115.8	Y55 A124	Y55-N57 PolarHBondContact O-N 3.37Å; N57-A124 PolarHBondContact ND2-O 3.01Å; N57-A124 PolarHBondContact OD1-N 2.97Å; N57-A124 PolarHBondContact OD1-O 3.22Å
58	Q	83.1	Confident	87.8	Confident	73 Å²	73	42.7 Å²	42.7	34%	0.341	24%	0.235	S	C	.	.			trans	-127.6	69	176.7	-65.9	174.5	48.6	0	0	111.5	A54 Y55 L56 A60 K61	A54-Q58 PolarHBondContact O-NE2 3.42Å; Y55-Q58 WeakPolarHBondContact O-CA 3.49Å; Y55-Q58 WeakPolarHBondContact O-CB 3.29Å; Y55-Q58 PolarHBondContact O-N 3.42Å; L56-Q58 VanDerWaalsContact C-N 3.33Å; L56-Q58 PolarHBondContact O-N 3.17Å; Q58-A60 PolarHBondContact O-N 3.37Å; Q58-K61 PolarHBondContact O-N 2.99Å; Q58-K61 VanDerWaalsContact O-N 3.14Å
59	P	73.7	Confident	87.8	Confident	61 Å²	61	42.6 Å²	42.6	40%	0.396	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-59.2	-27.3	-170.9	23.2	-34.8	0	0	0	113.9	K61 E62 N120	P59-K61 PolarHBondContact O-N 2.98Å; P59-K61 VanDerWaalsContact O-N 3.09Å; P59-E62 WeakPolarHBondContact O-CB 3.4Å; P59-E62 PolarHBondContact O-N 3.48Å; P59-N120 WeakPolarHBondContact CB-O 3.44Å
60	A	70.2	Confident	87.7	Confident	98 Å²	98	46.6 Å²	46.6	81%	0.81	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-61.5	-21.3	179.9	0	0	0	0	0	114.6	Q58	Q58-A60 PolarHBondContact O-N 3.37Å
61	K	78.2	Confident	87.6	Confident	94 Å²	94	49.3 Å²	49.3	41%	0.409	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-96.6	-7	-177.9	-60.7	-177.3	-179	164	0	113.6	Y55 Q58 P59	Y55-K61 HydrophobicContact CD1-CB 4.08Å; Y55-K61 HydrophobicContact CD1-CD 3.48Å; Y55-K61 VanDerWaalsContact CD1-CD 3.48Å; Y55-K61 HydrophobicContact CD1-CG 4.44Å; Y55-K61 HydrophobicContact CD2-CB 3.38Å; Y55-K61 HydrophobicContact CD2-CD 4.29Å; Y55-K61 HydrophobicContact CD2-CG 4.49Å; Y55-K61 HydrophobicContact CE1-CB 4.19Å; Y55-K61 HydrophobicContact CE1-CD 3.3Å; Y55-K61 HydrophobicContact CE1-CG 4.39Å; Y55-K61 HydrophobicContact CE2-CB 3.47Å; Y55-K61 VanDerWaalsContact CE2-CB 3.47Å; Y55-K61 HydrophobicContact CE2-CD 4.13Å; Y55-K61 HydrophobicContact CE2-CG 4.41Å; Y55-K61 HydrophobicContact CG-CB 3.73Å; Y55-K61 HydrophobicContact CG-CD 4.02Å; Q58-K61 PolarHBondContact O-N 2.99Å; Q58-K61 VanDerWaalsContact O-N 3.14Å; P59-K61 PolarHBondContact O-N 2.98Å; P59-K61 VanDerWaalsContact O-N 3.09Å
62	E	80	Confident	87.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-40.4	-177.9	-81.1	-88.2	108.3	0	0	112.9	P59 L64 L65 R66 L116 L119 N120	P59-E62 WeakPolarHBondContact O-CB 3.4Å; P59-E62 PolarHBondContact O-N 3.48Å; E62-L64 PolarHBondContact O-N 2.82Å; E62-L65 WeakPolarHBondContact O-CA 3.42Å; E62-L65 WeakPolarHBondContact O-CB 3.43Å; E62-L65 PolarHBondContact O-N 3.36Å; E62-R66 WeakPolarHBondContact O-CG 3.45Å; E62-R66 PolarHBondContact O-N 2.96Å; E62-L116 VanDerWaalsContact OE1-CD2 3.31Å; E62-L116 WeakPolarHBondContact OE1-CD2 3.49Å; E62-L116 WeakPolarHBondContact OE2-CA 3.47Å; E62-L119 VanDerWaalsContact CD-CB 3.41Å; E62-L119 HydrophobicContact CG-CB 4.47Å; E62-L119 HydrophobicContact CG-CG 4.14Å; E62-L119 WeakPolarHBondContact OE1-CB 3.24Å; E62-L119 WeakPolarHBondContact OE1-CD2 3.45Å; E62-L119 WeakPolarHBondContact OE1-CG 3.36Å; E62-L119 VanDerWaalsContact OE2-C 3.28Å; E62-L119 VanDerWaalsContact OE2-CB 3.25Å; E62-L119 WeakPolarHBondContact OE2-CB 3.46Å; E62-N120 HydrophobicContact CB-CB 4.01Å; E62-N120 HydrophobicContact CG-CB 4.1Å; E62-N120 WeakPolarHBondContact OE2-CA 3.37Å; E62-N120 PolarHBondContact OE2-N 2.85Å
63	E	84.7	Confident	87.9	Confident	102 Å²	102	52.7 Å²	52.7	48%	0.477	28%	0.284	S	S	.	.	H	α-helix	trans	-59.8	-36.3	-176.2	-179.3	53.9	-153.6	0	0	112.1	R66 Q67	E63-R66 PolarHBondContact O-N 3.49Å; E63-Q67 WeakPolarHBondContact O-CG 3.49Å; E63-Q67 PolarHBondContact O-N 3.27Å; E63-Q67 VanDerWaalsContact O-N 3.11Å; E63-Q67 PolarHBondContact OE1-NE2 3.11Å
64	L	86.9	Confident	88	Confident	89 Å²	89	57.1 Å²	57.1	47%	0.466	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-45.2	173.7	-178.7	63.7	0	0	0	111.4	E62 R66 Q67 E68	E62-L64 PolarHBondContact O-N 2.82Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 3.43Å; L64-Q67 PolarHBondContact O-N 3.12Å; L64-E68 WeakPolarHBondContact O-CG 3.48Å; L64-E68 PolarHBondContact O-N 2.81Å
65	L	90.7	Very high	88.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-36.8	177.2	-64.4	-174.9	0	0	0	112.2	M48 Q51 M52 Y55 E62 Q67 E68 C69 L116	M48-L65 HydrophobicContact CG-CD2 4.43Å; Q51-L65 HydrophobicContact CB-CD1 3.97Å; Q51-L65 HydrophobicContact CB-CD2 3.58Å; Q51-L65 HydrophobicContact CB-CG 4.37Å; Q51-L65 VanDerWaalsContact CD-CD2 3.44Å; Q51-L65 HydrophobicContact CG-CD2 4.12Å; M52-L65 HydrophobicContact CG-CD1 3.96Å; Y55-L65 HydrophobicContact CD2-CD1 3.52Å; Y55-L65 HydrophobicContact CD2-CG 4Å; Y55-L65 HydrophobicContact CE2-CD1 3.9Å; Y55-L65 HydrophobicContact CE2-CD2 4.14Å; Y55-L65 HydrophobicContact CE2-CG 3.93Å; E62-L65 WeakPolarHBondContact O-CA 3.42Å; E62-L65 WeakPolarHBondContact O-CB 3.43Å; E62-L65 PolarHBondContact O-N 3.36Å; L65-Q67 VanDerWaalsContact C-N 3.34Å; L65-Q67 PolarHBondContact O-N 3.13Å; L65-E68 PolarHBondContact O-N 3.44Å; L65-C69 VanDerWaalsContact O-CB 3.24Å; L65-C69 WeakPolarHBondContact O-CB 3.39Å; L65-C69 PolarHBondContact O-N 3.42Å; L65-L116 HydrophobicContact CB-CD1 4.04Å; L65-L116 HydrophobicContact CB-CD2 3.74Å; L65-L116 HydrophobicContact CD1-CD2 3.87Å; L65-L116 HydrophobicContact CG-CD2 4.48Å
66	R	92	Very high	88.8	Confident	42 Å²	42	55.5 Å²	55.5	16%	0.158	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-43.9	176	-68.3	-175.5	124.3	-71.5	-33.4	111.2	E62 E63 L64 C69 L70 S113 L116	E62-R66 WeakPolarHBondContact O-CG 3.45Å; E62-R66 PolarHBondContact O-N 2.96Å; E63-R66 PolarHBondContact O-N 3.49Å; L64-R66 VanDerWaalsContact C-N 3.3Å; L64-R66 PolarHBondContact O-N 3.43Å; R66-C69 PolarHBondContact O-N 3.1Å; R66-L70 WeakPolarHBondContact O-CG 3.48Å; R66-L70 PolarHBondContact O-N 3.2Å; R66-S113 PolarHBondContact NH2-O 3.24Å; R66-L116 HydrophobicContact CG-CB 3.9Å; R66-L116 HydrophobicContact CG-CD1 4.23Å; R66-L116 PolarHBondContact NE-O 2.85Å
67	Q	91.3	Very high	89.2	Confident	101 Å²	101	62.5 Å²	62.5	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-67.4	-41.7	176.8	-68.2	175	11.2	0	0	112.3	E63 L64 L65 C69 L70 S71	E63-Q67 WeakPolarHBondContact O-CG 3.49Å; E63-Q67 PolarHBondContact O-N 3.27Å; E63-Q67 VanDerWaalsContact O-N 3.11Å; E63-Q67 PolarHBondContact OE1-NE2 3.11Å; L64-Q67 PolarHBondContact O-N 3.12Å; L65-Q67 VanDerWaalsContact C-N 3.34Å; L65-Q67 PolarHBondContact O-N 3.13Å; Q67-C69 VanDerWaalsContact C-N 3.33Å; Q67-C69 PolarHBondContact O-N 3.35Å; Q67-L70 PolarHBondContact O-N 2.96Å; Q67-S71 WeakPolarHBondContact O-CB 3.46Å; Q67-S71 PolarHBondContact O-N 3.27Å; Q67-S71 PolarHBondContact O-OG 3.43Å
68	E	92	Very high	89.7	Confident	50 Å²	50	65.9 Å²	65.9	23%	0.234	33%	0.333	C	S	.	.	H	α-helix	trans	-60.7	-42.2	173.2	-71.5	-173.2	-175.8	0	0	111.2	K47 M48 Q51 L64 L65 S71 L72	K47-E68 IonicContact NZ-OE1 2.86Å; K47-E68 PolarHBondContact NZ-OE1 2.86Å; K47-E68 IonicContact NZ-OE2 3.64Å; K47-E68 PolarHBondContact NZ-OE2 3.47Å; M48-E68 HydrophobicContact CE-CB 3.57Å; Q51-E68 PolarHBondContact OE1-OE2 3.18Å; L64-E68 WeakPolarHBondContact O-CG 3.48Å; L64-E68 PolarHBondContact O-N 2.81Å; L65-E68 PolarHBondContact O-N 3.44Å; E68-S71 PolarHBondContact O-N 3.33Å; E68-L72 WeakPolarHBondContact O-CB 3.26Å; E68-L72 PolarHBondContact O-N 2.96Å
69	C	95.5	Very high	90.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.2	-44.9	178.2	-177.9	0	0	0	0	111.9	M48 L65 R66 Q67 L72 R73 L112 L116	M48-C69 HydrophobicContact CE-CB 3.86Å; M48-C69 VanDerWaalsContact CE-N 3.25Å; M48-C69 HydrophobicContact SD-CB 3.76Å; L65-C69 VanDerWaalsContact O-CB 3.24Å; L65-C69 WeakPolarHBondContact O-CB 3.39Å; L65-C69 PolarHBondContact O-N 3.42Å; R66-C69 PolarHBondContact O-N 3.1Å; Q67-C69 VanDerWaalsContact C-N 3.33Å; Q67-C69 PolarHBondContact O-N 3.35Å; C69-L72 PolarHBondContact O-N 3.29Å; C69-R73 VanDerWaalsContact O-CG 3.28Å; C69-R73 WeakPolarHBondContact O-CG 3.38Å; C69-R73 PolarHBondContact O-N 3.34Å; C69-L112 HydrophobicContact CB-CD2 4.33Å; C69-L116 HydrophobicContact CB-CD1 3.83Å
70	L	93.8	Very high	91.4	Very high	83 Å²	83	60.5 Å²	60.5	44%	0.435	30%	0.302	S	S	.	.	H	α-helix	trans	-61.8	-46.7	175.9	-72.1	172.5	0	0	0	111.6	R66 Q67 L72 R73 D74	R66-L70 WeakPolarHBondContact O-CG 3.48Å; R66-L70 PolarHBondContact O-N 3.2Å; Q67-L70 PolarHBondContact O-N 2.96Å; L70-L72 VanDerWaalsContact C-N 3.3Å; L70-L72 PolarHBondContact O-N 3.36Å; L70-R73 WeakPolarHBondContact O-CB 3.47Å; L70-R73 PolarHBondContact O-N 2.84Å; L70-R73 VanDerWaalsContact O-N 3.16Å; L70-D74 PolarHBondContact O-N 2.92Å; L70-D74 VanDerWaalsContact O-N 3.13Å
71	S	94.1	Very high	92.5	Very high	78 Å²	78	59.2 Å²	59.2	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-59.7	-42.1	177.6	-55.9	0	0	0	0	111.7	Q67 E68 D74 F75	Q67-S71 WeakPolarHBondContact O-CB 3.46Å; Q67-S71 PolarHBondContact O-N 3.27Å; Q67-S71 PolarHBondContact O-OG 3.43Å; E68-S71 PolarHBondContact O-N 3.33Å; S71-D74 PolarHBondContact O-N 3.16Å; S71-F75 PolarHBondContact O-N 3.12Å
72	L	96.5	Very high	93.2	Very high	11 Å²	11	57.7 Å²	57.7	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-68.8	-34	178	-173.2	59.7	0	0	0	112.6	V41 S44 M45 E68 C69 L70 D74 F75 V76 L109	V41-L72 HydrophobicContact CG2-CD1 4.28Å; S44-L72 VanDerWaalsContact CB-CD2 3.47Å; M45-L72 HydrophobicContact CG-CD2 3.88Å; E68-L72 WeakPolarHBondContact O-CB 3.26Å; E68-L72 PolarHBondContact O-N 2.96Å; C69-L72 PolarHBondContact O-N 3.29Å; L70-L72 VanDerWaalsContact C-N 3.3Å; L70-L72 PolarHBondContact O-N 3.36Å; L72-D74 VanDerWaalsContact C-N 3.33Å; L72-F75 HydrophobicContact CD1-CB 4.47Å; L72-F75 HydrophobicContact CD1-CD1 4.28Å; L72-F75 PolarHBondContact O-N 3.08Å; L72-V76 WeakPolarHBondContact O-CB 3.4Å; L72-V76 WeakPolarHBondContact O-CG2 3.43Å; L72-V76 PolarHBondContact O-N 2.95Å; L72-L109 HydrophobicContact CB-CD1 4.48Å; L72-L109 HydrophobicContact CB-CD2 4.45Å; L72-L109 HydrophobicContact CD2-CD1 4.24Å; L72-L109 HydrophobicContact CD2-CD2 3.69Å; L72-L109 HydrophobicContact CG-CD1 3.89Å; L72-L109 HydrophobicContact CG-CD2 4.12Å
73	R	96.7	Very high	93.9	Very high	88 Å²	88	57.7 Å²	57.7	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-62.1	-41.6	173.8	-77.4	174.2	60	179.2	-2.8	112	C69 L70 V76 R77 L109	C69-R73 VanDerWaalsContact O-CG 3.28Å; C69-R73 WeakPolarHBondContact O-CG 3.38Å; C69-R73 PolarHBondContact O-N 3.34Å; L70-R73 WeakPolarHBondContact O-CB 3.47Å; L70-R73 PolarHBondContact O-N 2.84Å; L70-R73 VanDerWaalsContact O-N 3.16Å; R73-V76 PolarHBondContact O-N 3.03Å; R73-R77 WeakPolarHBondContact O-CB 3.42Å; R73-R77 PolarHBondContact O-N 3.2Å; R73-L109 HydrophobicContact CG-CB 3.5Å; R73-L109 HydrophobicContact CG-CD1 4.06Å; R73-L109 HydrophobicContact CG-CG 4.29Å
74	D	95.6	Very high	94.2	Very high	99 Å²	99	56.8 Å²	56.8	53%	0.529	27%	0.271	S	S	.	.	H	α-helix	trans	-66.9	-43.3	176.6	-69	-25.2	0	0	0	110.6	L70 S71 L72 V76 R77 E78	L70-D74 PolarHBondContact O-N 2.92Å; L70-D74 VanDerWaalsContact O-N 3.13Å; S71-D74 PolarHBondContact O-N 3.16Å; L72-D74 VanDerWaalsContact C-N 3.33Å; D74-V76 PolarHBondContact O-N 3.4Å; D74-R77 WeakPolarHBondContact O-CB 3.43Å; D74-R77 PolarHBondContact O-N 2.91Å; D74-E78 PolarHBondContact O-N 3.39Å
75	F	97.3	Very high	94.3	Very high	52 Å²	52	57.6 Å²	57.6	23%	0.228	27%	0.273	C	S	.	.	H	α-helix	trans	-56.9	-48.6	173	-179.4	-89	0	0	0	112.7	D37 V40 V41 S71 L72 R77 E78 A79	D37-F75 HydrophobicContact CB-CE1 3.96Å; D37-F75 HydrophobicContact CB-CZ 3.87Å; D37-F75 WeakPolarHBondContact OD1-CZ 3.49Å; V40-F75 HydrophobicContact CB-CE1 4.07Å; V40-F75 HydrophobicContact CB-CZ 4Å; V40-F75 HydrophobicContact CG1-CD1 4.37Å; V40-F75 HydrophobicContact CG1-CE1 3.85Å; V40-F75 HydrophobicContact CG1-CE2 4.33Å; V40-F75 HydrophobicContact CG1-CZ 3.81Å; V40-F75 HydrophobicContact CG2-CZ 4.48Å; V41-F75 HydrophobicContact CG2-CD1 3.84Å; V41-F75 HydrophobicContact CG2-CE1 3.81Å; S71-F75 PolarHBondContact O-N 3.12Å; L72-F75 HydrophobicContact CD1-CB 4.47Å; L72-F75 HydrophobicContact CD1-CD1 4.28Å; L72-F75 PolarHBondContact O-N 3.08Å; F75-R77 VanDerWaalsContact C-N 3.28Å; F75-R77 PolarHBondContact O-N 3.37Å; F75-E78 PolarHBondContact O-N 3.32Å; F75-A79 HydrophobicContact CE1-CB 4.48Å; F75-A79 WeakPolarHBondContact O-CB 3.33Å; F75-A79 PolarHBondContact O-N 3.5Å
76	V	98	Very high	94.1	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-36.8	178.3	169.2	0	0	0	0	111.3	V41 L72 R73 D74 A79 Q80 F102 R105 R106 L109	V41-V76 HydrophobicContact CB-CG2 4.34Å; V41-V76 HydrophobicContact CG1-CG2 3.88Å; V41-V76 HydrophobicContact CG2-CG2 3.43Å; V41-V76 VanDerWaalsContact CG2-CG2 3.43Å; L72-V76 WeakPolarHBondContact O-CB 3.4Å; L72-V76 WeakPolarHBondContact O-CG2 3.43Å; L72-V76 PolarHBondContact O-N 2.95Å; R73-V76 PolarHBondContact O-N 3.03Å; D74-V76 PolarHBondContact O-N 3.4Å; V76-A79 PolarHBondContact O-N 3.12Å; V76-Q80 WeakPolarHBondContact O-CB 3.46Å; V76-Q80 PolarHBondContact O-N 3.36Å; V76-F102 HydrophobicContact CG1-CB 4.23Å; V76-F102 HydrophobicContact CG1-CD1 4.3Å; V76-F102 WeakPolarHBondContact CG1-O 3.41Å; V76-R105 HydrophobicContact CG1-CB 4.22Å; V76-R105 HydrophobicContact CG2-CB 4.48Å; V76-R106 HydrophobicContact CG1-CB 3.82Å; V76-L109 HydrophobicContact CB-CD1 4.15Å; V76-L109 HydrophobicContact CG2-CD1 3.58Å
77	R	97.2	Very high	93.7	Very high	150 Å²	150	58.3 Å²	58.3	57%	0.566	28%	0.277	S	S	*	.	H	α-helix	trans	-62.4	-45.3	176.1	-179.8	-177	177.6	160.8	-0.2	111.3	R73 D74 F75 Q80 V81	R73-R77 WeakPolarHBondContact O-CB 3.42Å; R73-R77 PolarHBondContact O-N 3.2Å; D74-R77 WeakPolarHBondContact O-CB 3.43Å; D74-R77 PolarHBondContact O-N 2.91Å; F75-R77 VanDerWaalsContact C-N 3.28Å; F75-R77 PolarHBondContact O-N 3.37Å; R77-Q80 WeakPolarHBondContact O-CB 3.26Å; R77-Q80 PolarHBondContact O-N 2.94Å; R77-V81 WeakPolarHBondContact O-CG2 3.47Å; R77-V81 PolarHBondContact O-N 2.92Å
78	E	96	Very high	93.3	Very high	113 Å²	113	59.9 Å²	59.9	53%	0.528	28%	0.284	S	S	.	.	H	α-helix	trans	-67.2	-40	176.8	-65.9	179.6	-179	0	0	112.1	D74 F75 Q80 V81 R82	D74-E78 PolarHBondContact O-N 3.39Å; F75-E78 PolarHBondContact O-N 3.32Å; E78-Q80 VanDerWaalsContact C-N 3.31Å; E78-Q80 PolarHBondContact O-N 3.08Å; E78-V81 PolarHBondContact O-N 3.46Å; E78-R82 PolarHBondContact O-N 2.82Å; E78-R82 IonicContact OE2-NH1 2.95Å
79	A	96	Very high	92.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-37.6	175.6	0	0	0	0	0	111.9	D37 F75 V76 V81 R82 A83 F102	D37-A79 HydrophobicContact CB-CB 4.01Å; F75-A79 HydrophobicContact CE1-CB 4.48Å; F75-A79 WeakPolarHBondContact O-CB 3.33Å; F75-A79 PolarHBondContact O-N 3.5Å; V76-A79 PolarHBondContact O-N 3.12Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-V81 PolarHBondContact O-N 3.4Å; A79-R82 PolarHBondContact O-N 3Å; A79-A83 WeakPolarHBondContact O-CB 3.37Å; A79-A83 PolarHBondContact O-N 3.24Å; A79-F102 HydrophobicContact CB-CD1 3.77Å; A79-F102 HydrophobicContact CB-CD2 4.17Å; A79-F102 HydrophobicContact CB-CE1 3.52Å; A79-F102 HydrophobicContact CB-CE2 3.94Å; A79-F102 HydrophobicContact CB-CG 4.1Å; A79-F102 HydrophobicContact CB-CZ 3.63Å
80	Q	96.4	Very high	91.6	Very high	21 Å²	21	65.6 Å²	65.6	10%	0.098	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-40.7	173.2	-169	179.3	11.6	0	0	111.9	V76 R77 E78 A83 Q84 F99 F102	V76-Q80 WeakPolarHBondContact O-CB 3.46Å; V76-Q80 PolarHBondContact O-N 3.36Å; R77-Q80 WeakPolarHBondContact O-CB 3.26Å; R77-Q80 PolarHBondContact O-N 2.94Å; E78-Q80 VanDerWaalsContact C-N 3.31Å; E78-Q80 PolarHBondContact O-N 3.08Å; Q80-A83 PolarHBondContact O-N 3.28Å; Q80-Q84 PolarHBondContact O-N 3.36Å; Q80-F99 HydrophobicContact CG-CD2 3.88Å; Q80-F99 HydrophobicContact CG-CE2 3.87Å; Q80-F102 HydrophobicContact CB-CB 3.69Å; Q80-F102 HydrophobicContact CG-CB 4.06Å
81	V	94.6	Very high	90.1	Very high	70 Å²	70	69 Å²	69	42%	0.424	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-46.3	175.5	173.3	0	0	0	0	110.7	R77 E78 A79 A83 Q84 E85	R77-V81 WeakPolarHBondContact O-CG2 3.47Å; R77-V81 PolarHBondContact O-N 2.92Å; E78-V81 PolarHBondContact O-N 3.46Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-V81 PolarHBondContact O-N 3.4Å; V81-A83 VanDerWaalsContact C-N 3.29Å; V81-A83 PolarHBondContact O-N 3.45Å; V81-Q84 WeakPolarHBondContact O-CB 3.45Å; V81-Q84 PolarHBondContact O-N 3.49Å; V81-Q84 VanDerWaalsContact O-N 3.13Å; V81-E85 WeakPolarHBondContact O-CG 3.4Å; V81-E85 PolarHBondContact O-N 3.05Å
82	R	92.7	Very high	88.6	Confident	62 Å²	62	73.3 Å²	73.3	23%	0.234	33%	0.331	C	S	.	.	H	α-helix	trans	-58.6	-40.9	174.7	-72.6	-171.1	-70.1	-82.8	3.3	112.3	D37 E78 A79 E85 Y86	D37-R82 IonicContact OD1-NH2 3.68Å; D37-R82 IonicContact OD2-CZ 2.77Å; D37-R82 IonicContact OD2-NE 2.83Å; D37-R82 PolarHBondContact OD2-NE 3.49Å; D37-R82 IonicContact OD2-NH2 3.69Å; D37-R82 PolarHBondContact OD2-NH2 2.98Å; E78-R82 PolarHBondContact O-N 2.82Å; E78-R82 IonicContact OE2-NH1 2.95Å; A79-R82 PolarHBondContact O-N 3Å; R82-E85 PolarHBondContact O-N 3.33Å; R82-Y86 WeakPolarHBondContact O-CB 3.28Å; R82-Y86 PolarHBondContact O-N 3.41Å
83	A	93.1	Very high	86.7	Confident	0 Å²	0	78.2 Å²	78.2	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-64.1	-41.9	175.6	0	0	0	0	0	111.8	A79 Q80 V81 Y86 E87 F102	A79-A83 WeakPolarHBondContact O-CB 3.37Å; A79-A83 PolarHBondContact O-N 3.24Å; Q80-A83 PolarHBondContact O-N 3.28Å; V81-A83 VanDerWaalsContact C-N 3.29Å; V81-A83 PolarHBondContact O-N 3.45Å; A83-Y86 PolarHBondContact O-N 2.93Å; A83-E87 WeakPolarHBondContact O-CG 3.19Å; A83-E87 PolarHBondContact O-N 3.46Å; A83-F102 HydrophobicContact CB-CD2 3.78Å; A83-F102 HydrophobicContact CB-CE2 4.06Å
84	Q	91.5	Very high	84.8	Confident	84 Å²	84	77.3 Å²	77.3	39%	0.393	39%	0.385	S	S	.	.	H	α-helix	trans	-59.7	-48.8	174.4	-174.2	-179.6	-12.3	0	0	111.6	Q80 V81 Y86 E87 E88 F99	Q80-Q84 PolarHBondContact O-N 3.36Å; V81-Q84 WeakPolarHBondContact O-CB 3.45Å; V81-Q84 PolarHBondContact O-N 3.49Å; V81-Q84 VanDerWaalsContact O-N 3.13Å; Q84-Y86 VanDerWaalsContact C-N 3.29Å; Q84-Y86 PolarHBondContact O-N 2.95Å; Q84-E87 PolarHBondContact O-N 2.91Å; Q84-E88 HydrophobicContact CG-CG 4.5Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.33Å; Q84-E88 PolarHBondContact NE2-OE1 3.04Å; Q84-E88 WeakPolarHBondContact O-CG 3.38Å; Q84-E88 PolarHBondContact O-N 3.36Å; Q84-F99 HydrophobicContact CB-CD2 3.91Å; Q84-F99 HydrophobicContact CB-CE2 4.29Å; Q84-F99 HydrophobicContact CG-CD2 4.43Å
85	E	88.3	Confident	83.5	Confident	105 Å²	105	76.2 Å²	76.2	49%	0.491	38%	0.379	S	S	.	.	H	α-helix	trans	-60.4	-39	177.2	-69.2	172.7	177.1	0	0	111.8	V81 R82 N89	V81-E85 WeakPolarHBondContact O-CG 3.4Å; V81-E85 PolarHBondContact O-N 3.05Å; R82-E85 PolarHBondContact O-N 3.33Å; E85-N89 PolarHBondContact O-N 3.37Å; E85-N89 PolarHBondContact O-ND2 2.94Å
86	Y	87.2	Confident	83	Confident	29 Å²	29	76.3 Å²	76.3	11%	0.114	39%	0.386	C	S	.	.	H	α-helix	trans	-63.8	-43.5	175.3	174.3	-95.7	0	0	0	112.2	T30 E31 I34 R82 A83 Q84 N89 Y98	T30-Y86 HydrophobicContact CG2-CD2 3.8Å; T30-Y86 HydrophobicContact CG2-CG 4.39Å; E31-Y86 HydrophobicContact CB-CE2 3.64Å; E31-Y86 HydrophobicContact CG-CE2 4.27Å; E31-Y86 WeakPolarHBondContact CG-OH 3.41Å; E31-Y86 PolarHBondContact OE2-OH 3.49Å; I34-Y86 HydrophobicContact CD1-CD1 3.99Å; I34-Y86 HydrophobicContact CD1-CD2 4.07Å; I34-Y86 HydrophobicContact CD1-CG 3.54Å; R82-Y86 WeakPolarHBondContact O-CB 3.28Å; R82-Y86 PolarHBondContact O-N 3.41Å; A83-Y86 PolarHBondContact O-N 2.93Å; Q84-Y86 VanDerWaalsContact C-N 3.29Å; Q84-Y86 PolarHBondContact O-N 2.95Å; Y86-N89 PolarHBondContact O-N 3.13Å; Y86-Y98 AromaticContact CD1-CD2 3.92Å; Y86-Y98 HydrophobicContact CD1-CD2 3.92Å; Y86-Y98 HydrophobicContact CD1-CE2 4.35Å; Y86-Y98 AromaticContact CE1-CD2 3.81Å; Y86-Y98 HydrophobicContact CE1-CD2 3.81Å; Y86-Y98 AromaticContact CE1-CE2 3.82Å; Y86-Y98 HydrophobicContact CE1-CE2 3.82Å
87	E	84.2	Confident	82.7	Confident	28 Å²	28	77.7 Å²	77.7	13%	0.131	39%	0.391	C	S	.	.	H	α-helix	trans	-66.7	-40.7	177.2	-67.2	-56.7	149.9	0	0	112.3	A83 Q84 N89 R90 N95	A83-E87 WeakPolarHBondContact O-CG 3.19Å; A83-E87 PolarHBondContact O-N 3.46Å; Q84-E87 PolarHBondContact O-N 2.91Å; E87-N89 PolarHBondContact O-N 3.16Å; E87-R90 PolarHBondContact O-N 2.86Å; E87-R90 VanDerWaalsContact O-N 3.15Å; E87-R90 IonicContact OE2-CZ 2.83Å; E87-R90 IonicContact OE2-NH1 3.85Å; E87-N95 VanDerWaalsContact CD-O 3.31Å
88	E	82.8	Confident	82.6	Confident	135 Å²	135	71.5 Å²	71.5	63%	0.631	37%	0.368	S	S	*	.	H	α-helix	trans	-63	-29.4	177.4	-73.5	175.7	-170.8	0	0	112.7	Q84	Q84-E88 HydrophobicContact CG-CG 4.5Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.33Å; Q84-E88 PolarHBondContact NE2-OE1 3.04Å; Q84-E88 WeakPolarHBondContact O-CG 3.38Å; Q84-E88 PolarHBondContact O-N 3.36Å
89	N	77.1	Confident	82.5	Confident	89 Å²	89	68.9 Å²	68.9	48%	0.476	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.3	177.7	-74.3	-50.4	0	0	0	113.9	E85 Y86 E87	E85-N89 PolarHBondContact O-N 3.37Å; E85-N89 PolarHBondContact O-ND2 2.94Å; Y86-N89 PolarHBondContact O-N 3.13Å; E87-N89 PolarHBondContact O-N 3.16Å
90	R	74.4	Confident	82.4	Confident	81 Å²	81	73.1 Å²	73.1	31%	0.306	38%	0.375	S	S	.	.			trans	-91.3	112.7	-179.5	-156.5	174.8	85.2	-156.9	-4.1	110.6	E87 F92	E87-R90 PolarHBondContact O-N 2.86Å; E87-R90 VanDerWaalsContact O-N 3.15Å; E87-R90 IonicContact OE2-CZ 2.83Å; E87-R90 IonicContact OE2-NH1 3.85Å; R90-F92 PolarHBondContact NE-O 2.94Å; R90-F92 PolarHBondContact NH2-O 3.37Å; R90-F92 PolarHBondContact O-N 3.37Å
91	F	62	Low	82.4	Confident	154 Å²	154	72.1 Å²	72.1	68%	0.675	37%	0.37	S	S	*	.	S	Bend	trans	-55.4	-30	179.7	-126.3	-103.3	0	0	0	114.1	L25	L25-F91 HydrophobicContact CD2-CB 3.54Å; L25-F91 HydrophobicContact CD2-CD2 4.08Å; L25-F91 HydrophobicContact CD2-CG 4.23Å
92	F	62.5	Low	82.6	Confident	169 Å²	169	68.8 Å²	68.8	74%	0.741	35%	0.35	S	S	*	.	S	Bend	trans	-98.2	94.1	177.1	-65.8	-78.5	0	0	0	109.2	R90 G94	R90-F92 PolarHBondContact NE-O 2.94Å; R90-F92 PolarHBondContact NH2-O 3.37Å; R90-F92 PolarHBondContact O-N 3.37Å; F92-G94 PolarHBondContact O-N 3.42Å
93	S	57.8	Low	82.8	Confident	113 Å²	113	66.8 Å²	66.8	79%	0.79	35%	0.346	S	S	*	.			trans	-70	33.4	-175.1	64	0	0	0	0	115
94	G	56.8	Low	83	Confident	70 Å²	70	67.1 Å²	67.1	72%	0.722	35%	0.348	S	S	*	.			trans	-82.4	-14.1	-164	0	0	0	0	0	116.9	F92	F92-G94 PolarHBondContact O-N 3.42Å
95	N	68.5	Low	83.3	Confident	76 Å²	76	63.1 Å²	63.1	41%	0.406	33%	0.33	S	S	.	.			trans	-162.2	103.7	-175.9	-165.7	-4	0	0	0	111.1	E87 Y97	E87-N95 VanDerWaalsContact CD-O 3.31Å; N95-Y97 PolarHBondContact O-N 2.83Å; N95-Y97 WeakPolarHBondContact OD1-CB 3.36Å; N95-Y97 PolarHBondContact OD1-N 3.24Å
96	S	86.4	Confident	83.7	Confident	53 Å²	53	63.5 Å²	63.5	37%	0.371	33%	0.326	S	S	.	.			trans	-72.7	33.1	174.5	53.1	0	0	0	0	112.7	Y98 F99 E100	S96-Y98 PolarHBondContact O-N 3.43Å; S96-F99 WeakPolarHBondContact O-CB 3.38Å; S96-F99 PolarHBondContact O-N 3Å; S96-F99 VanDerWaalsContact O-N 3.1Å; S96-E100 WeakPolarHBondContact O-CG 3.44Å; S96-E100 PolarHBondContact O-N 3.43Å
97	Y	92	Very high	84.2	Confident	29 Å²	29	66.8 Å²	66.8	11%	0.114	35%	0.346	C	S	.	.	H	α-helix	trans	-53	-52.6	-165.7	176.6	-107.9	0	0	0	112.7	N95 F99 E100 Y101 E145 F198 K202	N95-Y97 PolarHBondContact O-N 2.83Å; N95-Y97 WeakPolarHBondContact OD1-CB 3.36Å; N95-Y97 PolarHBondContact OD1-N 3.24Å; Y97-F99 VanDerWaalsContact C-N 3.34Å; Y97-F99 PolarHBondContact O-N 3.45Å; Y97-E100 PolarHBondContact O-N 2.95Å; Y97-Y101 WeakPolarHBondContact O-CB 3.37Å; Y97-Y101 PolarHBondContact O-N 2.91Å; Y97-E145 VanDerWaalsContact CE1-OE1 3.26Å; Y97-E145 WeakPolarHBondContact CE1-OE1 3.35Å; Y97-E145 VanDerWaalsContact CZ-OE1 3.24Å; Y97-E145 VanDerWaalsContact OH-CD 3.23Å; Y97-E145 VanDerWaalsContact OH-CG 3.28Å; Y97-E145 WeakPolarHBondContact OH-CG 3.23Å; Y97-E145 PolarHBondContact OH-OE1 3.4Å; Y97-F198 HydrophobicContact CD2-CZ 4.33Å; Y97-F198 HydrophobicContact CE2-CE1 4.43Å; Y97-F198 AromaticContact CE2-CZ 3.71Å; Y97-F198 HydrophobicContact CE2-CZ 3.71Å; Y97-K202 HydrophobicContact CD2-CG 4.37Å; Y97-K202 HydrophobicContact CE2-CD 3.76Å; Y97-K202 VanDerWaalsContact CE2-CE 3.42Å; Y97-K202 HydrophobicContact CE2-CG 4.05Å; Y97-K202 PolarHBondContact OH-NZ 2.88Å
98	Y	93.3	Very high	84.9	Confident	20 Å²	20	65.5 Å²	65.5	8%	0.078	34%	0.339	C	S	.	.	H	α-helix	trans	-66.9	-38.5	-177.3	-66.7	-55.3	0	0	0	111.8	E31 I34 Q35 Q38 Y86 S96 Y101 F102	E31-Y98 HydrophobicContact CG-CE2 4.04Å; I34-Y98 HydrophobicContact CG2-CD1 3.32Å; I34-Y98 HydrophobicContact CG2-CD2 3.84Å; I34-Y98 HydrophobicContact CG2-CE1 3.76Å; I34-Y98 HydrophobicContact CG2-CE2 4.2Å; I34-Y98 HydrophobicContact CG2-CG 3.37Å; Q35-Y98 HydrophobicContact CG-CE1 4.26Å; Q35-Y98 WeakPolarHBondContact CG-OH 3.35Å; Q35-Y98 PolarHBondContact NE2-OH 2.8Å; Q35-Y98 VanDerWaalsContact NE2-OH 3.08Å; Q38-Y98 VanDerWaalsContact OE1-CE1 3.23Å; Y86-Y98 AromaticContact CD1-CD2 3.92Å; Y86-Y98 HydrophobicContact CD1-CD2 3.92Å; Y86-Y98 HydrophobicContact CD1-CE2 4.35Å; Y86-Y98 AromaticContact CE1-CD2 3.81Å; Y86-Y98 HydrophobicContact CE1-CD2 3.81Å; Y86-Y98 AromaticContact CE1-CE2 3.82Å; Y86-Y98 HydrophobicContact CE1-CE2 3.82Å; S96-Y98 PolarHBondContact O-N 3.43Å; Y98-Y101 PolarHBondContact O-N 2.83Å; Y98-F102 WeakPolarHBondContact O-CD2 3.39Å; Y98-F102 PolarHBondContact O-N 2.82Å
99	F	94.3	Very high	85.6	Confident	58 Å²	58	59 Å²	59	25%	0.254	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-48.9	176.3	176.4	-94.5	0	0	0	111.2	Q80 Q84 S96 Y97 Y101 F102 A103	Q80-F99 HydrophobicContact CG-CD2 3.88Å; Q80-F99 HydrophobicContact CG-CE2 3.87Å; Q84-F99 HydrophobicContact CB-CD2 3.91Å; Q84-F99 HydrophobicContact CB-CE2 4.29Å; Q84-F99 HydrophobicContact CG-CD2 4.43Å; S96-F99 WeakPolarHBondContact O-CB 3.38Å; S96-F99 PolarHBondContact O-N 3Å; S96-F99 VanDerWaalsContact O-N 3.1Å; Y97-F99 VanDerWaalsContact C-N 3.34Å; Y97-F99 PolarHBondContact O-N 3.45Å; F99-Y101 VanDerWaalsContact C-N 3.34Å; F99-Y101 PolarHBondContact O-N 3.36Å; F99-F102 PolarHBondContact O-N 3.21Å; F99-A103 WeakPolarHBondContact O-CB 3.36Å; F99-A103 PolarHBondContact O-N 2.72Å
100	E	94.8	Very high	86.6	Confident	89 Å²	89	60.5 Å²	60.5	42%	0.416	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-36.6	178.2	-66.5	-56.3	148.7	0	0	112	S96 Y97 A103 M104 F198	S96-E100 WeakPolarHBondContact O-CG 3.44Å; S96-E100 PolarHBondContact O-N 3.43Å; Y97-E100 PolarHBondContact O-N 2.95Å; E100-A103 PolarHBondContact O-N 3.44Å; E100-M104 WeakPolarHBondContact O-CB 3.42Å; E100-M104 PolarHBondContact O-N 3.35Å; E100-F198 HydrophobicContact CB-CD2 4.39Å; E100-F198 HydrophobicContact CB-CE2 4.02Å
101	Y	96.7	Very high	87.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-51.9	174.5	177.2	-84.3	0	0	0	111	Q38 Y97 Y98 F99 M104 R105 E145 F198	Q38-Y101 HydrophobicContact CB-CD1 4.48Å; Q38-Y101 HydrophobicContact CB-CE1 3.81Å; Q38-Y101 HydrophobicContact CG-CD1 3.73Å; Q38-Y101 HydrophobicContact CG-CE1 3.56Å; Q38-Y101 HydrophobicContact CG-CG 4.39Å; Y97-Y101 WeakPolarHBondContact O-CB 3.37Å; Y97-Y101 PolarHBondContact O-N 2.91Å; Y98-Y101 PolarHBondContact O-N 2.83Å; F99-Y101 VanDerWaalsContact C-N 3.34Å; F99-Y101 PolarHBondContact O-N 3.36Å; Y101-M104 HydrophobicContact CD2-CE 4.29Å; Y101-M104 HydrophobicContact CE2-CE 4.4Å; Y101-M104 WeakPolarHBondContact O-CB 3.5Å; Y101-M104 PolarHBondContact O-N 3.49Å; Y101-R105 HydrophobicContact CD1-CG 4.08Å; Y101-R105 HydrophobicContact CE1-CG 3.63Å; Y101-R105 WeakPolarHBondContact O-CG 3.38Å; Y101-R105 PolarHBondContact O-N 3.13Å; Y101-R105 PolarHBondContact OH-NE 2.99Å; Y101-R105 PolarHBondContact OH-NH2 3.3Å; Y101-E145 HydrophobicContact CD2-CG 4.41Å; Y101-E145 HydrophobicContact CE2-CB 4.24Å; Y101-E145 HydrophobicContact CE2-CG 3.95Å; Y101-F198 HydrophobicContact CD2-CE1 4.26Å; Y101-F198 HydrophobicContact CD2-CZ 4.03Å; Y101-F198 HydrophobicContact CG-CZ 4.49Å
102	F	97.6	Very high	89.4	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-71.4	-31.4	179.7	-68.1	-63.5	0	0	0	112.6	I34 D37 Q38 V41 V76 A79 Q80 A83 Y98 F99 M104 R105 R106	I34-F102 HydrophobicContact CG2-CE2 3.95Å; I34-F102 HydrophobicContact CG2-CZ 4.43Å; D37-F102 HydrophobicContact CB-CE1 4.28Å; D37-F102 HydrophobicContact CB-CZ 3.84Å; Q38-F102 HydrophobicContact CG-CE1 4.22Å; Q38-F102 HydrophobicContact CG-CE2 4.37Å; Q38-F102 HydrophobicContact CG-CZ 3.72Å; V41-F102 HydrophobicContact CG2-CE1 4.14Å; V76-F102 HydrophobicContact CG1-CB 4.23Å; V76-F102 HydrophobicContact CG1-CD1 4.3Å; V76-F102 WeakPolarHBondContact CG1-O 3.41Å; A79-F102 HydrophobicContact CB-CD1 3.77Å; A79-F102 HydrophobicContact CB-CD2 4.17Å; A79-F102 HydrophobicContact CB-CE1 3.52Å; A79-F102 HydrophobicContact CB-CE2 3.94Å; A79-F102 HydrophobicContact CB-CG 4.1Å; A79-F102 HydrophobicContact CB-CZ 3.63Å; Q80-F102 HydrophobicContact CB-CB 3.69Å; Q80-F102 HydrophobicContact CG-CB 4.06Å; A83-F102 HydrophobicContact CB-CD2 3.78Å; A83-F102 HydrophobicContact CB-CE2 4.06Å; Y98-F102 WeakPolarHBondContact O-CD2 3.39Å; Y98-F102 PolarHBondContact O-N 2.82Å; F99-F102 PolarHBondContact O-N 3.21Å; F102-M104 VanDerWaalsContact C-N 3.34Å; F102-R105 PolarHBondContact O-N 3.18Å; F102-R106 VanDerWaalsContact O-CB 3.26Å; F102-R106 WeakPolarHBondContact O-CB 3.32Å; F102-R106 PolarHBondContact O-N 3.37Å
103	A	96.7	Very high	91	Very high	20 Å²	20	42.3 Å²	42.3	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-59.1	-46.9	170.9	0	0	0	0	0	111.1	F99 E100 R106 L107	F99-A103 WeakPolarHBondContact O-CB 3.36Å; F99-A103 PolarHBondContact O-N 2.72Å; E100-A103 PolarHBondContact O-N 3.44Å; A103-R106 PolarHBondContact O-N 2.96Å; A103-L107 WeakPolarHBondContact O-CG 3.35Å; A103-L107 PolarHBondContact O-N 3.36Å; A103-L107 VanDerWaalsContact O-N 3.12Å
104	M	97.5	Very high	92.9	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.039	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-51.5	174.4	175.5	-80.8	-67.2	0	0	111.6	E100 Y101 F102 R106 L107 Q108 I194 K195 F198	E100-M104 WeakPolarHBondContact O-CB 3.42Å; E100-M104 PolarHBondContact O-N 3.35Å; Y101-M104 HydrophobicContact CD2-CE 4.29Å; Y101-M104 HydrophobicContact CE2-CE 4.4Å; Y101-M104 WeakPolarHBondContact O-CB 3.5Å; Y101-M104 PolarHBondContact O-N 3.49Å; F102-M104 VanDerWaalsContact C-N 3.34Å; M104-R106 VanDerWaalsContact C-N 3.26Å; M104-R106 PolarHBondContact O-N 3.03Å; M104-L107 WeakPolarHBondContact O-CB 3.49Å; M104-L107 PolarHBondContact O-N 2.89Å; M104-L107 VanDerWaalsContact O-N 3.08Å; M104-Q108 PolarHBondContact O-N 2.85Å; M104-Q108 HydrophobicContact SD-CG 3.79Å; M104-Q108 PolarHBondContact SD-OE1 3.28Å; M104-I194 HydrophobicContact CG-CG2 3.76Å; M104-I194 HydrophobicContact SD-CG2 4.36Å; M104-K195 HydrophobicContact CE-CD 4.06Å; M104-K195 HydrophobicContact SD-CD 4.37Å; M104-F198 HydrophobicContact CB-CB 4.03Å; M104-F198 HydrophobicContact CB-CD2 3.98Å; M104-F198 HydrophobicContact CB-CG 4.1Å; M104-F198 HydrophobicContact CE-CD1 4.01Å; M104-F198 HydrophobicContact CE-CE1 4.36Å; M104-F198 HydrophobicContact CE-CG 4.19Å; M104-F198 HydrophobicContact CG-CB 3.55Å; M104-F198 HydrophobicContact CG-CD2 4.34Å; M104-F198 HydrophobicContact CG-CG 3.94Å
105	R	98.3	Very high	94.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-35.2	179.7	-67.6	-59	-166.2	-172.9	4.4	112.4	V41 E42 V76 Y101 F102 Q108 L109	V41-R105 HydrophobicContact CG1-CB 3.9Å; V41-R105 HydrophobicContact CG1-CG 3.75Å; E42-R105 IonicContact OE2-NH2 3.78Å; V76-R105 HydrophobicContact CG1-CB 4.22Å; V76-R105 HydrophobicContact CG2-CB 4.48Å; Y101-R105 HydrophobicContact CD1-CG 4.08Å; Y101-R105 HydrophobicContact CE1-CG 3.63Å; Y101-R105 WeakPolarHBondContact O-CG 3.38Å; Y101-R105 PolarHBondContact O-N 3.13Å; Y101-R105 PolarHBondContact OH-NE 2.99Å; Y101-R105 PolarHBondContact OH-NH2 3.3Å; F102-R105 PolarHBondContact O-N 3.18Å; R105-Q108 PolarHBondContact O-N 2.93Å; R105-L109 WeakPolarHBondContact O-CB 3.5Å; R105-L109 VanDerWaalsContact O-CG 3.32Å; R105-L109 WeakPolarHBondContact O-CG 3.26Å; R105-L109 PolarHBondContact O-N 3.37Å
106	R	97.6	Very high	96	Very high	112 Å²	112	32.6 Å²	32.6	42%	0.423	16%	0.159	S	C	.	.	H	α-helix	trans	-65.1	-40.4	175.3	-175.3	175.9	164.9	-169.7	-5	112.2	V76 F102 A103 M104 K110	V76-R106 HydrophobicContact CG1-CB 3.82Å; F102-R106 VanDerWaalsContact O-CB 3.26Å; F102-R106 WeakPolarHBondContact O-CB 3.32Å; F102-R106 PolarHBondContact O-N 3.37Å; A103-R106 PolarHBondContact O-N 2.96Å; M104-R106 VanDerWaalsContact C-N 3.26Å; M104-R106 PolarHBondContact O-N 3.03Å; R106-K110 PolarHBondContact O-N 3.39Å; R106-K110 VanDerWaalsContact O-N 3.16Å
107	L	97.8	Very high	96.3	Very high	99 Å²	99	35 Å²	35	52%	0.518	16%	0.164	S	C	.	.	H	α-helix	trans	-65	-45.7	173.5	-68.3	174.9	0	0	0	110.9	A103 M104 L109 K110 V111 I194	A103-L107 WeakPolarHBondContact O-CG 3.35Å; A103-L107 PolarHBondContact O-N 3.36Å; A103-L107 VanDerWaalsContact O-N 3.12Å; M104-L107 WeakPolarHBondContact O-CB 3.49Å; M104-L107 PolarHBondContact O-N 2.89Å; M104-L107 VanDerWaalsContact O-N 3.08Å; L107-L109 VanDerWaalsContact C-N 3.31Å; L107-L109 PolarHBondContact O-N 2.89Å; L107-K110 WeakPolarHBondContact O-CB 3.47Å; L107-K110 PolarHBondContact O-N 2.95Å; L107-K110 VanDerWaalsContact O-N 3.12Å; L107-V111 PolarHBondContact O-N 3.24Å; L107-I194 HydrophobicContact CB-CD1 4.1Å; L107-I194 HydrophobicContact CB-CG2 4.07Å
108	Q	98.5	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.3	-43.5	175.5	-72.1	-162.8	-55.3	0	0	112.3	M45 M104 R105 K110 V111 L112 F191 I194	M45-Q108 HydrophobicContact CE-CB 3.74Å; M45-Q108 HydrophobicContact CE-CG 4.49Å; M104-Q108 PolarHBondContact O-N 2.85Å; M104-Q108 HydrophobicContact SD-CG 3.79Å; M104-Q108 PolarHBondContact SD-OE1 3.28Å; R105-Q108 PolarHBondContact O-N 2.93Å; Q108-K110 VanDerWaalsContact C-N 3.29Å; Q108-K110 PolarHBondContact O-N 3.33Å; Q108-V111 PolarHBondContact O-N 2.72Å; Q108-L112 WeakPolarHBondContact O-CB 3.48Å; Q108-L112 PolarHBondContact O-N 3.32Å; Q108-F191 HydrophobicContact CB-CD2 3.76Å; Q108-F191 HydrophobicContact CB-CE2 3.62Å; Q108-F191 HydrophobicContact CB-CZ 4.43Å; Q108-F191 HydrophobicContact CG-CD2 4.17Å; Q108-F191 HydrophobicContact CG-CE2 4.18Å; Q108-F191 PolarHBondContact NE2-O 3.48Å; Q108-F191 WeakPolarHBondContact O-CD2 3.28Å; Q108-I194 HydrophobicContact CG-CB 4.07Å; Q108-I194 HydrophobicContact CG-CG2 3.53Å
109	L	98.2	Very high	96.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.2	-27.6	178.7	-74.2	165.2	0	0	0	113.6	M45 L72 R73 V76 R105 L107 S113	M45-L109 HydrophobicContact CG-CD2 4.17Å; M45-L109 HydrophobicContact SD-CD2 4.44Å; M45-L109 HydrophobicContact SD-CG 4.39Å; L72-L109 HydrophobicContact CB-CD1 4.48Å; L72-L109 HydrophobicContact CB-CD2 4.45Å; L72-L109 HydrophobicContact CD2-CD1 4.24Å; L72-L109 HydrophobicContact CD2-CD2 3.69Å; L72-L109 HydrophobicContact CG-CD1 3.89Å; L72-L109 HydrophobicContact CG-CD2 4.12Å; R73-L109 HydrophobicContact CG-CB 3.5Å; R73-L109 HydrophobicContact CG-CD1 4.06Å; R73-L109 HydrophobicContact CG-CG 4.29Å; V76-L109 HydrophobicContact CB-CD1 4.15Å; V76-L109 HydrophobicContact CG2-CD1 3.58Å; R105-L109 WeakPolarHBondContact O-CB 3.5Å; R105-L109 VanDerWaalsContact O-CG 3.32Å; R105-L109 WeakPolarHBondContact O-CG 3.26Å; R105-L109 PolarHBondContact O-N 3.37Å; L107-L109 VanDerWaalsContact C-N 3.31Å; L107-L109 PolarHBondContact O-N 2.89Å; L109-S113 WeakPolarHBondContact O-CB 3.16Å; L109-S113 PolarHBondContact O-N 2.9Å
110	K	97.6	Very high	96	Very high	119 Å²	119	33.8 Å²	33.8	52%	0.517	16%	0.163	S	C	.	.	H	α-helix	trans	-63.2	-51	170.1	-178.3	-176.4	172.9	-173.9	0	110	R106 L107 Q108 L112 S113 D114	R106-K110 PolarHBondContact O-N 3.39Å; R106-K110 VanDerWaalsContact O-N 3.16Å; L107-K110 WeakPolarHBondContact O-CB 3.47Å; L107-K110 PolarHBondContact O-N 2.95Å; L107-K110 VanDerWaalsContact O-N 3.12Å; Q108-K110 VanDerWaalsContact C-N 3.29Å; Q108-K110 PolarHBondContact O-N 3.33Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 3.38Å; K110-S113 VanDerWaalsContact O-CB 3.26Å; K110-S113 WeakPolarHBondContact O-CB 3.5Å; K110-S113 PolarHBondContact O-N 3.18Å; K110-S113 VanDerWaalsContact O-N 3.12Å; K110-D114 PolarHBondContact O-N 3.18Å; K110-D114 VanDerWaalsContact O-N 3.12Å
111	V	98.2	Very high	95.8	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.097	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-40.7	178.5	-179.5	0	0	0	0	111.4	L107 Q108 S113 D114 M115 L187 D190 F191 I194	L107-V111 PolarHBondContact O-N 3.24Å; Q108-V111 PolarHBondContact O-N 2.72Å; V111-S113 VanDerWaalsContact C-N 3.32Å; V111-S113 PolarHBondContact O-N 3.42Å; V111-D114 WeakPolarHBondContact O-CB 3.46Å; V111-D114 PolarHBondContact O-N 2.84Å; V111-D114 VanDerWaalsContact O-N 3.11Å; V111-M115 WeakPolarHBondContact O-CG 3.33Å; V111-M115 PolarHBondContact O-N 3Å; V111-L187 HydrophobicContact CG1-CB 4.12Å; V111-L187 HydrophobicContact CG1-CD2 4.33Å; V111-L187 WeakPolarHBondContact CG1-O 3.33Å; V111-D190 HydrophobicContact CG1-CB 4.28Å; V111-F191 HydrophobicContact CB-CB 4.42Å; V111-F191 HydrophobicContact CG1-CB 3.91Å; V111-I194 HydrophobicContact CG2-CD1 3.62Å
112	L	97.1	Very high	95.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-43.1	174.5	-163.4	161.4	0	0	0	111.4	M48 M52 C69 Q108 K110 D114 M115 L116 F191	M48-L112 HydrophobicContact CB-CD1 4.45Å; M48-L112 HydrophobicContact CG-CD1 4.11Å; M48-L112 HydrophobicContact CG-CD2 3.84Å; M48-L112 HydrophobicContact SD-CD1 3.72Å; M48-L112 HydrophobicContact SD-CD2 3.19Å; M48-L112 WeakPolarHBondContact SD-CD2 3.28Å; M48-L112 HydrophobicContact SD-CG 4.12Å; M52-L112 HydrophobicContact SD-CD2 4.05Å; M52-L112 HydrophobicContact SD-CG 4.08Å; C69-L112 HydrophobicContact CB-CD2 4.33Å; Q108-L112 WeakPolarHBondContact O-CB 3.48Å; Q108-L112 PolarHBondContact O-N 3.32Å; K110-L112 VanDerWaalsContact C-N 3.31Å; K110-L112 PolarHBondContact O-N 3.38Å; L112-D114 PolarHBondContact O-N 3.4Å; L112-M115 HydrophobicContact CB-CE 4.03Å; L112-M115 HydrophobicContact CG-CE 4.07Å; L112-M115 WeakPolarHBondContact O-CB 3.39Å; L112-M115 PolarHBondContact O-N 2.91Å; L112-M115 VanDerWaalsContact O-N 3.13Å; L112-L116 HydrophobicContact CD2-CD1 3.49Å; L112-L116 VanDerWaalsContact CD2-CD1 3.49Å; L112-L116 HydrophobicContact CD2-CG 3.83Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.2Å; L112-F191 HydrophobicContact CB-CD2 4.45Å; L112-F191 HydrophobicContact CB-CE2 4.39Å; L112-F191 HydrophobicContact CD1-CE2 4.16Å
113	S	95.8	Very high	95.1	Very high	7 Å²	7	44.1 Å²	44.1	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-37.8	174.7	-158.4	0	0	0	0	112.5	R66 L109 K110 V111 L116 Q117	R66-S113 PolarHBondContact NH2-O 3.24Å; L109-S113 WeakPolarHBondContact O-CB 3.16Å; L109-S113 PolarHBondContact O-N 2.9Å; K110-S113 VanDerWaalsContact O-CB 3.26Å; K110-S113 WeakPolarHBondContact O-CB 3.5Å; K110-S113 PolarHBondContact O-N 3.18Å; K110-S113 VanDerWaalsContact O-N 3.12Å; V111-S113 VanDerWaalsContact C-N 3.32Å; V111-S113 PolarHBondContact O-N 3.42Å; S113-L116 PolarHBondContact O-N 3.06Å; S113-Q117 PolarHBondContact O-N 3.39Å
114	D	96.5	Very high	94.7	Very high	54 Å²	54	43.5 Å²	43.5	29%	0.289	20%	0.202	S	C	.	.	H	α-helix	trans	-69.7	-40.1	176.2	-60.6	-25.8	0	0	0	110.9	K110 V111 L112 L116 Q117 I118 L187	K110-D114 PolarHBondContact O-N 3.18Å; K110-D114 VanDerWaalsContact O-N 3.12Å; V111-D114 WeakPolarHBondContact O-CB 3.46Å; V111-D114 PolarHBondContact O-N 2.84Å; V111-D114 VanDerWaalsContact O-N 3.11Å; L112-D114 PolarHBondContact O-N 3.4Å; D114-L116 VanDerWaalsContact C-N 3.34Å; D114-L116 PolarHBondContact O-N 2.93Å; D114-Q117 WeakPolarHBondContact O-CB 3.39Å; D114-Q117 PolarHBondContact O-N 3.37Å; D114-I118 PolarHBondContact O-N 2.82Å; D114-L187 HydrophobicContact CB-CD1 3.94Å; D114-L187 HydrophobicContact CB-CD2 4.31Å
115	M	96.6	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-44.4	172.2	-68.9	-166.6	-76.9	0	0	112.1	M52 V111 L112 Q117 I118 L119 F136 L184 L187 F188 F191	M52-M115 HydrophobicContact CE-CB 3.7Å; M52-M115 HydrophobicContact CE-CE 4.15Å; M52-M115 HydrophobicContact CE-SD 4.08Å; V111-M115 WeakPolarHBondContact O-CG 3.33Å; V111-M115 PolarHBondContact O-N 3Å; L112-M115 HydrophobicContact CB-CE 4.03Å; L112-M115 HydrophobicContact CG-CE 4.07Å; L112-M115 WeakPolarHBondContact O-CB 3.39Å; L112-M115 PolarHBondContact O-N 2.91Å; L112-M115 VanDerWaalsContact O-N 3.13Å; M115-Q117 PolarHBondContact O-N 3.46Å; M115-I118 PolarHBondContact O-N 3.28Å; M115-I118 VanDerWaalsContact O-N 3.09Å; M115-L119 PolarHBondContact O-N 3.27Å; M115-F136 HydrophobicContact SD-CE1 4.38Å; M115-F136 HydrophobicContact SD-CZ 4.44Å; M115-L184 HydrophobicContact CB-CD1 3.53Å; M115-L184 HydrophobicContact CG-CD1 3.69Å; M115-L184 HydrophobicContact SD-CD1 4.11Å; M115-L187 HydrophobicContact CG-CB 3.55Å; M115-L187 HydrophobicContact CG-CD1 4.14Å; M115-L187 HydrophobicContact SD-CB 4.34Å; M115-F188 HydrophobicContact SD-CB 3.78Å; M115-F188 HydrophobicContact SD-CD2 4.26Å; M115-F191 HydrophobicContact CE-CB 4.17Å; M115-F191 HydrophobicContact CE-CD2 4.07Å; M115-F191 HydrophobicContact CE-CG 4.16Å
116	L	94.3	Very high	93.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.9	-7.5	174.7	-64.9	173	0	0	0	113.7	M52 E62 L65 R66 C69 L112 S113 D114	M52-L116 HydrophobicContact CG-CD2 3.86Å; M52-L116 HydrophobicContact SD-CD2 4.09Å; E62-L116 VanDerWaalsContact OE1-CD2 3.31Å; E62-L116 WeakPolarHBondContact OE1-CD2 3.49Å; E62-L116 WeakPolarHBondContact OE2-CA 3.47Å; L65-L116 HydrophobicContact CB-CD1 4.04Å; L65-L116 HydrophobicContact CB-CD2 3.74Å; L65-L116 HydrophobicContact CD1-CD2 3.87Å; L65-L116 HydrophobicContact CG-CD2 4.48Å; R66-L116 HydrophobicContact CG-CB 3.9Å; R66-L116 HydrophobicContact CG-CD1 4.23Å; R66-L116 PolarHBondContact NE-O 2.85Å; C69-L116 HydrophobicContact CB-CD1 3.83Å; L112-L116 HydrophobicContact CD2-CD1 3.49Å; L112-L116 VanDerWaalsContact CD2-CD1 3.49Å; L112-L116 HydrophobicContact CD2-CG 3.83Å; L112-L116 WeakPolarHBondContact O-CG 3.3Å; L112-L116 PolarHBondContact O-N 3.2Å; S113-L116 PolarHBondContact O-N 3.06Å; D114-L116 VanDerWaalsContact C-N 3.34Å; D114-L116 PolarHBondContact O-N 2.93Å
117	Q	93.2	Very high	93.2	Very high	104 Å²	104	55.6 Å²	55.6	49%	0.486	27%	0.271	S	S	.	.	H	α-helix	trans	-79.9	-36.9	167.5	-68.1	-173.4	-13.6	0	0	111.2	S113 D114 M115	S113-Q117 PolarHBondContact O-N 3.39Å; D114-Q117 WeakPolarHBondContact O-CB 3.39Å; D114-Q117 PolarHBondContact O-N 3.37Å; M115-Q117 PolarHBondContact O-N 3.46Å
118	I	93.2	Very high	92.8	Very high	15 Å²	15	51.7 Å²	51.7	8%	0.077	25%	0.25	C	S	.	.	H	α-helix	trans	-75.6	-46.7	-178.9	-57.8	177.5	0	0	0	109.7	D114 M115 N120 R121 L122 M180 Q183 L184 L187	D114-I118 PolarHBondContact O-N 2.82Å; M115-I118 PolarHBondContact O-N 3.28Å; M115-I118 VanDerWaalsContact O-N 3.09Å; I118-N120 PolarHBondContact O-N 3.22Å; I118-R121 PolarHBondContact O-N 2.8Å; I118-L122 PolarHBondContact O-N 3.12Å; I118-L122 VanDerWaalsContact O-N 3.16Å; I118-M180 HydrophobicContact CG2-CB 4.16Å; I118-Q183 HydrophobicContact CD1-CB 3.89Å; I118-Q183 VanDerWaalsContact CD1-CD 3.45Å; I118-Q183 HydrophobicContact CD1-CG 3.48Å; I118-Q183 VanDerWaalsContact CD1-CG 3.48Å; I118-L184 HydrophobicContact CD1-CB 4.41Å; I118-L184 HydrophobicContact CG2-CB 4.13Å; I118-L187 HydrophobicContact CD1-CD1 3.5Å; I118-L187 VanDerWaalsContact CD1-CD1 3.5Å; I118-L187 HydrophobicContact CG1-CD1 4.45Å
119	L	91.7	Very high	92.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60	-33.9	-176.2	-175.3	57.7	0	0	0	112.2	M52 L56 E62 M115 R121 L122 L184	M52-L119 HydrophobicContact CB-CD2 3.99Å; M52-L119 HydrophobicContact CE-CD2 4.44Å; M52-L119 HydrophobicContact CG-CD2 3.98Å; L56-L119 HydrophobicContact CD2-CD1 3.67Å; L56-L119 HydrophobicContact CG-CD1 4.25Å; E62-L119 VanDerWaalsContact CD-CB 3.41Å; E62-L119 HydrophobicContact CG-CB 4.47Å; E62-L119 HydrophobicContact CG-CG 4.14Å; E62-L119 WeakPolarHBondContact OE1-CB 3.24Å; E62-L119 WeakPolarHBondContact OE1-CD2 3.45Å; E62-L119 WeakPolarHBondContact OE1-CG 3.36Å; E62-L119 VanDerWaalsContact OE2-C 3.28Å; E62-L119 VanDerWaalsContact OE2-CB 3.25Å; E62-L119 WeakPolarHBondContact OE2-CB 3.46Å; M115-L119 PolarHBondContact O-N 3.27Å; L119-R121 PolarHBondContact O-N 2.9Å; L119-R121 VanDerWaalsContact O-N 3.16Å; L119-L122 HydrophobicContact CD1-CB 4.35Å; L119-L122 HydrophobicContact CD1-CD2 3.78Å; L119-L122 WeakPolarHBondContact O-CB 3.26Å; L119-L122 PolarHBondContact O-N 2.69Å; L119-L184 HydrophobicContact CD1-CD2 4.49Å
120	N	88.8	Confident	92.2	Very high	66 Å²	66	55 Å²	55	35%	0.353	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-62.8	-16.1	172.6	-172.6	48.1	0	0	0	115.2	P59 E62 I118	P59-N120 WeakPolarHBondContact CB-O 3.44Å; E62-N120 HydrophobicContact CB-CB 4.01Å; E62-N120 HydrophobicContact CG-CB 4.1Å; E62-N120 WeakPolarHBondContact OE2-CA 3.37Å; E62-N120 PolarHBondContact OE2-N 2.85Å; I118-N120 PolarHBondContact O-N 3.22Å
121	R	89.2	Confident	91.9	Very high	189 Å²	189	50.8 Å²	50.8	71%	0.713	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-115.6	0	178.5	-59.8	177.9	-177.9	168.3	2.4	112.5	I118 L119 D123	I118-R121 PolarHBondContact O-N 2.8Å; L119-R121 PolarHBondContact O-N 2.9Å; L119-R121 VanDerWaalsContact O-N 3.16Å; R121-D123 PolarHBondContact O-N 3.45Å
122	L	89.8	Confident	91.8	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	25%	0.245	C	C	.	.			trans	-76.5	121.1	-173.3	-175.8	71	0	0	0	110.3	L56 I118 L119 A124 V129 M180 L181 L184	L56-L122 HydrophobicContact CD2-CD2 3.61Å; I118-L122 PolarHBondContact O-N 3.12Å; I118-L122 VanDerWaalsContact O-N 3.16Å; L119-L122 HydrophobicContact CD1-CB 4.35Å; L119-L122 HydrophobicContact CD1-CD2 3.78Å; L119-L122 WeakPolarHBondContact O-CB 3.26Å; L119-L122 PolarHBondContact O-N 2.69Å; L122-A124 HydrophobicContact CD1-CB 4.1Å; L122-V129 HydrophobicContact CD2-CG1 4.32Å; L122-M180 HydrophobicContact CD1-CB 4.32Å; L122-L181 HydrophobicContact CD1-CD2 3.56Å; L122-L181 HydrophobicContact CD1-CG 3.79Å; L122-L181 HydrophobicContact CD2-CD2 3.8Å; L122-L181 HydrophobicContact CG-CD2 4.26Å; L122-L184 HydrophobicContact CD2-CD2 4.48Å
123	D	89.7	Confident	91.7	Very high	114 Å²	114	54.3 Å²	54.3	61%	0.61	26%	0.26	S	S	*	.			trans	-139	81.2	172.8	-171.7	21.6	0	0	0	107.5	R121 E177	R121-D123 PolarHBondContact O-N 3.45Å; D123-E177 WeakPolarHBondContact O-CG 3.47Å
124	A	90	Very high	91.6	Very high	7 Å²	7	58.9 Å²	58.9	6%	0.058	28%	0.281	C	S	.	.			trans	-118.4	160.4	-176.4	0	0	0	0	0	111.2	N57 L122 V129 E177 L181	N57-A124 PolarHBondContact ND2-O 3.01Å; N57-A124 PolarHBondContact OD1-N 2.97Å; N57-A124 PolarHBondContact OD1-O 3.22Å; L122-A124 HydrophobicContact CD1-CB 4.1Å; A124-V129 HydrophobicContact CB-CG1 3.88Å; A124-E177 HydrophobicContact CB-CB 4.1Å; A124-L181 HydrophobicContact CB-CD1 3.65Å; A124-L181 HydrophobicContact CB-CD2 4.49Å; A124-L181 HydrophobicContact CB-CG 4.16Å
125	E	88	Confident	91.7	Very high	122 Å²	122	56.5 Å²	56.5	57%	0.57	27%	0.268	S	S	*	.			trans	-56.5	140.3	175.8	-71.4	-63.8	158.9	0	0	111.9	E127 D128 V129	E125-E127 PolarHBondContact O-N 3.23Å; E125-E127 VanDerWaalsContact O-N 3.07Å; E125-D128 PolarHBondContact O-N 3.12Å; E125-V129 PolarHBondContact O-N 3.36Å
126	P	86.6	Confident	91.7	Very high	86 Å²	86	56.5 Å²	56.5	56%	0.558	27%	0.268	S	S	*	.	H	α-helix	trans	-54.9	-30.4	-177.6	-28.7	35.5	0	0	0	114.9	V129	P126-V129 WeakPolarHBondContact O-CG2 3.45Å
127	E	87.3	Confident	91.8	Very high	166 Å²	166	60 Å²	60	78%	0.776	29%	0.285	S	S	*	.	H	α-helix	trans	-69.8	-35.9	176.1	-174.6	176.1	-178.2	0	0	112	E125 V129	E125-E127 PolarHBondContact O-N 3.23Å; E125-E127 VanDerWaalsContact O-N 3.07Å; E127-V129 PolarHBondContact O-N 3.38Å
128	D	88	Confident	92	Very high	17 Å²	17	57 Å²	57	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-74.6	-25.8	-177	-81.3	-25.5	0	0	0	112.1	E125 K166 R178 L181	E125-D128 PolarHBondContact O-N 3.12Å; D128-K166 IonicContact OD1-NZ 3.58Å; D128-R178 IonicContact OD1-NE 2.96Å; D128-R178 IonicContact OD1-NH2 3.73Å; D128-R178 IonicContact OD2-CZ 3.22Å; D128-R178 IonicContact OD2-NE 3.72Å; D128-R178 PolarHBondContact OD2-NE 3.25Å; D128-R178 IonicContact OD2-NH2 3.84Å; D128-L181 HydrophobicContact CB-CD1 3.61Å
129	V	92.6	Very high	92.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-86	-13.9	178.3	-50.6	0	0	0	0	114.4	L56 L122 A124 E125 P126 E127 E131 L132 R133 L181	L56-V129 HydrophobicContact CB-CB 4.26Å; L56-V129 HydrophobicContact CB-CG2 4.3Å; L56-V129 HydrophobicContact CD1-CB 4.42Å; L56-V129 HydrophobicContact CD2-CB 4.48Å; L122-V129 HydrophobicContact CD2-CG1 4.32Å; A124-V129 HydrophobicContact CB-CG1 3.88Å; E125-V129 PolarHBondContact O-N 3.36Å; P126-V129 WeakPolarHBondContact O-CG2 3.45Å; E127-V129 PolarHBondContact O-N 3.38Å; V129-E131 PolarHBondContact O-N 3.41Å; V129-L132 PolarHBondContact O-N 3.31Å; V129-R133 PolarHBondContact O-N 2.84Å; V129-L181 HydrophobicContact CB-CD2 4.48Å; V129-L181 HydrophobicContact CG1-CD1 4.39Å; V129-L181 HydrophobicContact CG1-CD2 3.9Å
130	Q	92.2	Very high	92.5	Very high	71 Å²	71	56.8 Å²	56.8	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-63.2	-38.7	-169.2	-179.8	58.4	24	0	0	112.9	L132 R133 E134	Q130-L132 PolarHBondContact O-N 3.5Å; Q130-R133 WeakPolarHBondContact O-CB 3.48Å; Q130-R133 PolarHBondContact O-N 2.87Å; Q130-E134 PolarHBondContact NE2-OE1 3.06Å; Q130-E134 WeakPolarHBondContact O-CG 3.14Å; Q130-E134 PolarHBondContact O-N 3.05Å
131	E	91.9	Very high	92.8	Very high	29 Å²	29	59.4 Å²	59.4	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-40.7	-180	-62	-178.8	124.9	0	0	112	V129 E134 L135 T159 R162 K166	V129-E131 PolarHBondContact O-N 3.41Å; E131-E134 PolarHBondContact O-N 3.02Å; E131-L135 WeakPolarHBondContact O-CG 3.45Å; E131-L135 PolarHBondContact O-N 2.82Å; E131-L135 VanDerWaalsContact O-N 3.08Å; E131-T159 HydrophobicContact CB-CG2 3.77Å; E131-T159 HydrophobicContact CG-CG2 4.42Å; E131-R162 WeakPolarHBondContact OE1-CB 3.14Å; E131-R162 IonicContact OE1-CZ 3.93Å; E131-R162 IonicContact OE1-NE 2.71Å; E131-R162 PolarHBondContact OE1-NE 3.08Å; E131-R162 IonicContact OE1-NH2 3.2Å; E131-K166 VanDerWaalsContact OE2-CE 3.23Å; E131-K166 WeakPolarHBondContact OE2-CE 3.45Å; E131-K166 IonicContact OE2-NZ 3.81Å; E131-K166 PolarHBondContact OE2-NZ 2.77Å
132	L	94.8	Very high	93.1	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-66.9	-38	174.7	-85.4	170.3	0	0	0	112	L56 V129 Q130 E134 L135 F136 L181 L184 F185	L56-L132 HydrophobicContact CD1-CB 4.4Å; V129-L132 PolarHBondContact O-N 3.31Å; Q130-L132 PolarHBondContact O-N 3.5Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 3.42Å; L132-L135 PolarHBondContact O-N 3.08Å; L132-F136 HydrophobicContact CD2-CE1 4.25Å; L132-F136 HydrophobicContact CD2-CZ 4.22Å; L132-F136 WeakPolarHBondContact O-CB 3.33Å; L132-F136 WeakPolarHBondContact O-CG 3.37Å; L132-F136 PolarHBondContact O-N 3.3Å; L132-L181 HydrophobicContact CD1-CB 4.31Å; L132-L181 HydrophobicContact CD1-CD2 3.7Å; L132-L184 HydrophobicContact CD1-CB 4.27Å; L132-L184 HydrophobicContact CD1-CD2 3.97Å; L132-L184 HydrophobicContact CD1-CG 4.1Å; L132-F185 HydrophobicContact CD2-CB 4Å; L132-F185 HydrophobicContact CD2-CD2 4.21Å
133	R	95.1	Very high	93.3	Very high	82 Å²	82	52 Å²	52	31%	0.309	26%	0.257	S	S	.	.	H	α-helix	trans	-56.8	-48.7	174.3	-175.6	177.5	-72.5	159.3	0	111	S53 L56 V129 Q130 L135 F136 E137	S53-R133 PolarHBondContact O-NE 3.36Å; S53-R133 WeakPolarHBondContact OG-CG 3.27Å; S53-R133 PolarHBondContact OG-O 3.37Å; L56-R133 HydrophobicContact CD1-CB 3.57Å; L56-R133 HydrophobicContact CD1-CG 4.3Å; V129-R133 PolarHBondContact O-N 2.84Å; Q130-R133 WeakPolarHBondContact O-CB 3.48Å; Q130-R133 PolarHBondContact O-N 2.87Å; R133-L135 PolarHBondContact O-N 2.93Å; R133-F136 PolarHBondContact O-N 3.48Å; R133-E137 WeakPolarHBondContact O-CB 3.46Å; R133-E137 PolarHBondContact O-N 2.83Å
134	E	95	Very high	93.5	Very high	103 Å²	103	47.3 Å²	47.3	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-63.4	-41.1	179.6	-72	172.6	-166.8	0	0	112.2	Q130 E131 L132 F138	Q130-E134 PolarHBondContact NE2-OE1 3.06Å; Q130-E134 WeakPolarHBondContact O-CG 3.14Å; Q130-E134 PolarHBondContact O-N 3.05Å; E131-E134 PolarHBondContact O-N 3.02Å; L132-E134 VanDerWaalsContact C-N 3.32Å; L132-E134 PolarHBondContact O-N 3.42Å; E134-F138 WeakPolarHBondContact O-CB 3.42Å; E134-F138 PolarHBondContact O-N 2.89Å
135	L	97	Very high	93.6	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-46	175.9	-73.6	173.6	0	0	0	112.3	E131 L132 R133 T139 K155 I156 T159 F185 F188	E131-L135 WeakPolarHBondContact O-CG 3.45Å; E131-L135 PolarHBondContact O-N 2.82Å; E131-L135 VanDerWaalsContact O-N 3.08Å; L132-L135 PolarHBondContact O-N 3.08Å; R133-L135 PolarHBondContact O-N 2.93Å; L135-T139 VanDerWaalsContact O-CB 3.28Å; L135-T139 WeakPolarHBondContact O-CB 3.39Å; L135-T139 PolarHBondContact O-N 3.48Å; L135-T139 PolarHBondContact O-OG1 3.35Å; L135-K155 HydrophobicContact CD2-CB 3.72Å; L135-I156 HydrophobicContact CD1-CG1 4.49Å; L135-I156 HydrophobicContact CD2-CG1 4.22Å; L135-T159 HydrophobicContact CD1-CG2 4.02Å; L135-F185 HydrophobicContact CD1-CD2 3.93Å; L135-F185 HydrophobicContact CD1-CE2 3.78Å; L135-F188 HydrophobicContact CB-CD1 4.33Å; L135-F188 HydrophobicContact CB-CE1 3.77Å; L135-F188 HydrophobicContact CB-CZ 4.31Å; L135-F188 HydrophobicContact CD1-CD1 4.31Å; L135-F188 HydrophobicContact CD1-CE1 4.25Å; L135-F188 HydrophobicContact CD2-CE1 4.38Å; L135-F188 HydrophobicContact CG-CE1 4.37Å
136	F	97.2	Very high	93.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-45.1	177.8	-70.5	-10.9	0	0	0	111.9	M52 L56 M115 L132 R133 T139 A140 L184 F188	M52-F136 HydrophobicContact CB-CD2 3.83Å; M52-F136 HydrophobicContact CB-CE2 4.04Å; M52-F136 HydrophobicContact CE-CE1 4.48Å; M52-F136 HydrophobicContact CE-CE2 3.93Å; M52-F136 HydrophobicContact CE-CZ 3.85Å; L56-F136 HydrophobicContact CD1-CD2 4.46Å; L56-F136 HydrophobicContact CD2-CE2 4.4Å; M115-F136 HydrophobicContact SD-CE1 4.38Å; M115-F136 HydrophobicContact SD-CZ 4.44Å; L132-F136 HydrophobicContact CD2-CE1 4.25Å; L132-F136 HydrophobicContact CD2-CZ 4.22Å; L132-F136 WeakPolarHBondContact O-CB 3.33Å; L132-F136 WeakPolarHBondContact O-CG 3.37Å; L132-F136 PolarHBondContact O-N 3.3Å; R133-F136 PolarHBondContact O-N 3.48Å; F136-T139 PolarHBondContact O-N 3.07Å; F136-A140 VanDerWaalsContact O-CB 3.3Å; F136-A140 WeakPolarHBondContact O-CB 3.37Å; F136-A140 PolarHBondContact O-N 3.18Å; F136-L184 HydrophobicContact CE2-CD2 4.34Å; F136-L184 HydrophobicContact CZ-CD1 4.05Å; F136-L184 HydrophobicContact CZ-CD2 4.2Å; F136-L184 HydrophobicContact CZ-CG 4.05Å; F136-F188 AromaticContact CD1-CD2 3.7Å; F136-F188 HydrophobicContact CD1-CD2 3.7Å; F136-F188 AromaticContact CD1-CE2 3.85Å; F136-F188 HydrophobicContact CD1-CE2 3.85Å; F136-F188 HydrophobicContact CD1-CG 4.14Å; F136-F188 HydrophobicContact CD1-CZ 4.41Å; F136-F188 HydrophobicContact CE1-CB 3.92Å; F136-F188 HydrophobicContact CE1-CD1 4.4Å; F136-F188 AromaticContact CE1-CD2 3.44Å; F136-F188 HydrophobicContact CE1-CD2 3.44Å; F136-F188 VanDerWaalsContact CE1-CD2 3.44Å; F136-F188 HydrophobicContact CE1-CE2 4.09Å; F136-F188 AromaticContact CE1-CG 3.63Å; F136-F188 HydrophobicContact CE1-CG 3.63Å
137	E	96.6	Very high	94.2	Very high	75 Å²	75	47.6 Å²	47.6	35%	0.35	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-49.4	177.8	-174.6	59.2	-147.8	0	0	111.5	S53 R133 T139 A140 Q141	S53-E137 PolarHBondContact OG-OE2 2.96Å; R133-E137 WeakPolarHBondContact O-CB 3.46Å; R133-E137 PolarHBondContact O-N 2.83Å; E137-T139 VanDerWaalsContact C-N 3.27Å; E137-T139 PolarHBondContact O-N 3.41Å; E137-A140 WeakPolarHBondContact O-CB 3.33Å; E137-A140 PolarHBondContact O-N 3.47Å; E137-Q141 WeakPolarHBondContact O-CG 3.41Å; E137-Q141 PolarHBondContact O-N 2.88Å; E137-Q141 VanDerWaalsContact O-N 3.12Å; E137-Q141 PolarHBondContact OE1-NE2 3.14Å
138	F	97.5	Very high	94.6	Very high	39 Å²	39	44.1 Å²	44.1	17%	0.171	22%	0.218	C	C	.	.	H	α-helix	trans	-58.1	-42.9	178.2	177.9	-100.4	0	0	0	111.5	E134 Q141 T142 E151 I152 K155	E134-F138 WeakPolarHBondContact O-CB 3.42Å; E134-F138 PolarHBondContact O-N 2.89Å; F138-Q141 PolarHBondContact O-N 3.39Å; F138-T142 HydrophobicContact CD2-CG2 4.24Å; F138-T142 HydrophobicContact CE1-CG2 4.14Å; F138-T142 HydrophobicContact CE2-CG2 3.75Å; F138-T142 HydrophobicContact CZ-CG2 3.68Å; F138-T142 WeakPolarHBondContact O-CB 3.46Å; F138-T142 WeakPolarHBondContact O-CG2 3.41Å; F138-T142 PolarHBondContact O-N 3.37Å; F138-T142 PolarHBondContact O-OG1 2.81Å; F138-E151 HydrophobicContact CE1-CG 4.27Å; F138-E151 VanDerWaalsContact CZ-CD 3.47Å; F138-E151 HydrophobicContact CZ-CG 3.86Å; F138-E151 WeakPolarHBondContact CZ-OE1 3.42Å; F138-I152 HydrophobicContact CD1-CG1 4.06Å; F138-I152 HydrophobicContact CE1-CG1 3.7Å; F138-K155 HydrophobicContact CD1-CD 3.49Å; F138-K155 VanDerWaalsContact CD1-CD 3.49Å; F138-K155 HydrophobicContact CD2-CD 4.19Å; F138-K155 HydrophobicContact CE1-CD 3.6Å; F138-K155 HydrophobicContact CE2-CD 4.29Å; F138-K155 HydrophobicContact CG-CD 3.8Å; F138-K155 HydrophobicContact CZ-CD 4.01Å
139	T	97.7	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.1	-39.1	178.8	-56.5	0	0	0	0	111.6	L49 L135 F136 E137 Q141 T142 L143 I152 F188 I192	L49-T139 HydrophobicContact CD1-CG2 3.68Å; L135-T139 VanDerWaalsContact O-CB 3.28Å; L135-T139 WeakPolarHBondContact O-CB 3.39Å; L135-T139 PolarHBondContact O-N 3.48Å; L135-T139 PolarHBondContact O-OG1 3.35Å; F136-T139 PolarHBondContact O-N 3.07Å; E137-T139 VanDerWaalsContact C-N 3.27Å; E137-T139 PolarHBondContact O-N 3.41Å; T139-Q141 PolarHBondContact O-N 2.85Å; T139-T142 PolarHBondContact O-N 2.77Å; T139-L143 HydrophobicContact CG2-CB 4.33Å; T139-L143 WeakPolarHBondContact O-CB 3.46Å; T139-L143 PolarHBondContact O-N 2.74Å; T139-I152 HydrophobicContact CG2-CD1 4.06Å; T139-I152 WeakPolarHBondContact OG1-CG2 3.43Å; T139-F188 HydrophobicContact CG2-CE2 4.18Å; T139-F188 HydrophobicContact CG2-CZ 4.23Å; T139-F188 VanDerWaalsContact OG1-CZ 3.26Å; T139-F188 WeakPolarHBondContact OG1-CZ 3.35Å; T139-I192 HydrophobicContact CG2-CD1 3.8Å
140	A	96.7	Very high	95.2	Very high	11 Å²	11	45.4 Å²	45.4	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-58.9	-31	174.8	0	0	0	0	0	112.2	K46 L49 F136 E137	K46-A140 WeakPolarHBondContact CB-O 3.18Å; K46-A140 WeakPolarHBondContact CE-O 3.1Å; K46-A140 WeakPolarHBondContact CG-O 3.23Å; K46-A140 WeakPolarHBondContact O-CB 3.09Å; L49-A140 HydrophobicContact CB-CB 3.84Å; F136-A140 VanDerWaalsContact O-CB 3.3Å; F136-A140 WeakPolarHBondContact O-CB 3.37Å; F136-A140 PolarHBondContact O-N 3.18Å; E137-A140 WeakPolarHBondContact O-CB 3.33Å; E137-A140 PolarHBondContact O-N 3.47Å
141	Q	95.5	Very high	95.4	Very high	122 Å²	122	47.2 Å²	47.2	57%	0.57	24%	0.24	S	C	*	.	H	α-helix	trans	-82.7	-39.8	178	-65.6	175.4	9.3	0	0	112.4	K46 E137 F138 T139	K46-Q141 PolarHBondContact NZ-O 3.16Å; K46-Q141 VanDerWaalsContact NZ-O 3.09Å; E137-Q141 WeakPolarHBondContact O-CG 3.41Å; E137-Q141 PolarHBondContact O-N 2.88Å; E137-Q141 VanDerWaalsContact O-N 3.12Å; E137-Q141 PolarHBondContact OE1-NE2 3.14Å; F138-Q141 PolarHBondContact O-N 3.39Å; T139-Q141 PolarHBondContact O-N 2.85Å
142	T	95.9	Very high	95.7	Very high	37 Å²	37	45.9 Å²	45.9	23%	0.227	23%	0.233	C	C	.	.	H	α-helix	trans	-98.1	-18.3	-169.6	57.3	0	0	0	0	115.2	F138 T139 A144 N147	F138-T142 HydrophobicContact CD2-CG2 4.24Å; F138-T142 HydrophobicContact CE1-CG2 4.14Å; F138-T142 HydrophobicContact CE2-CG2 3.75Å; F138-T142 HydrophobicContact CZ-CG2 3.68Å; F138-T142 WeakPolarHBondContact O-CB 3.46Å; F138-T142 WeakPolarHBondContact O-CG2 3.41Å; F138-T142 PolarHBondContact O-N 3.37Å; F138-T142 PolarHBondContact O-OG1 2.81Å; T139-T142 PolarHBondContact O-N 2.77Å; T142-A144 PolarHBondContact O-N 3.31Å; T142-A144 VanDerWaalsContact O-N 3.16Å; T142-N147 PolarHBondContact O-ND2 2.98Å; T142-N147 VanDerWaalsContact O-ND2 3.14Å
143	L	94.1	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.			trans	-58.9	123.1	178.2	-175.4	71.7	0	0	0	109.3	M45 K46 L49 T139 F191	M45-L143 HydrophobicContact CB-CD2 4.01Å; K46-L143 VanDerWaalsContact CD-O 3.23Å; K46-L143 WeakPolarHBondContact CD-O 3.38Å; K46-L143 VanDerWaalsContact CE-O 3.31Å; K46-L143 WeakPolarHBondContact CE-O 3.42Å; K46-L143 HydrophobicContact CG-CB 4.09Å; K46-L143 HydrophobicContact CG-CD2 4.35Å; K46-L143 PolarHBondContact NZ-O 3.02Å; L49-L143 HydrophobicContact CD1-CD2 3.87Å; T139-L143 HydrophobicContact CG2-CB 4.33Å; T139-L143 WeakPolarHBondContact O-CB 3.46Å; T139-L143 PolarHBondContact O-N 2.74Å; L143-F191 HydrophobicContact CD2-CZ 4.44Å
144	A	94.1	Very high	95.9	Very high	14 Å²	14	47.1 Å²	47.1	12%	0.116	25%	0.249	C	C	.	.			trans	-152.6	166.9	179.2	0	0	0	0	0	110.5	E42 T142 D146 N147 K195	E42-A144 VanDerWaalsContact OE2-C 3.31Å; E42-A144 VanDerWaalsContact OE2-CA 3.27Å; E42-A144 WeakPolarHBondContact OE2-CA 3.27Å; T142-A144 PolarHBondContact O-N 3.31Å; T142-A144 VanDerWaalsContact O-N 3.16Å; A144-D146 VanDerWaalsContact C-N 3.32Å; A144-D146 WeakPolarHBondContact CB-OD1 3.31Å; A144-N147 HydrophobicContact CB-CB 4.08Å; A144-N147 PolarHBondContact O-N 3.13Å; A144-K195 WeakPolarHBondContact O-CE 3.3Å
145	E	92.6	Very high	96	Very high	60 Å²	60	45.3 Å²	45.3	28%	0.28	24%	0.24	S	C	.	.	S	Bend	trans	-57.9	-43.3	171.7	178.7	176.5	-155.8	0	0	112.2	Q38 E42 Y97 Y101 K195	Q38-E145 PolarHBondContact NE2-OE1 3.36Å; E42-E145 PolarHBondContact OE2-N 2.92Å; Y97-E145 VanDerWaalsContact CE1-OE1 3.26Å; Y97-E145 WeakPolarHBondContact CE1-OE1 3.35Å; Y97-E145 VanDerWaalsContact CZ-OE1 3.24Å; Y97-E145 VanDerWaalsContact OH-CD 3.23Å; Y97-E145 VanDerWaalsContact OH-CG 3.28Å; Y97-E145 WeakPolarHBondContact OH-CG 3.23Å; Y97-E145 PolarHBondContact OH-OE1 3.4Å; Y101-E145 HydrophobicContact CD2-CG 4.41Å; Y101-E145 HydrophobicContact CE2-CB 4.24Å; Y101-E145 HydrophobicContact CE2-CG 3.95Å; E145-K195 PolarHBondContact O-NZ 3.37Å
146	D	93.2	Very high	96	Very high	139 Å²	139	45.3 Å²	45.3	74%	0.743	24%	0.24	S	C	*	.	S	Bend	trans	-86.4	-10.3	-178.4	64.8	-22.3	0	0	0	114.1	A144 D148	A144-D146 VanDerWaalsContact C-N 3.32Å; A144-D146 WeakPolarHBondContact CB-OD1 3.31Å; D146-D148 PolarHBondContact O-N 3.34Å
147	N	94.3	Very high	96	Very high	23 Å²	23	47.8 Å²	47.8	12%	0.123	26%	0.26	C	S	.	.			trans	-64.5	125.4	172.8	-177.3	-81.3	0	0	0	110.5	T142 A144 G149 K195 N199	T142-N147 PolarHBondContact O-ND2 2.98Å; T142-N147 VanDerWaalsContact O-ND2 3.14Å; A144-N147 HydrophobicContact CB-CB 4.08Å; A144-N147 PolarHBondContact O-N 3.13Å; N147-G149 WeakPolarHBondContact OD1-CA 3.39Å; N147-G149 PolarHBondContact OD1-N 2.95Å; N147-K195 WeakPolarHBondContact O-CE 3.29Å; N147-K195 PolarHBondContact O-NZ 2.87Å; N147-N199 PolarHBondContact O-ND2 3.37Å
148	D	95.9	Very high	96	Very high	92 Å²	92	48.6 Å²	48.6	49%	0.492	26%	0.264	S	S	.	.			trans	-82.1	-14.3	-177.3	70.2	-0.9	0	0	0	114.1	D146 A150 A196 N199	D146-D148 PolarHBondContact O-N 3.34Å; D148-A150 VanDerWaalsContact C-N 3.34Å; D148-A150 VanDerWaalsContact OD1-CB 3.26Å; D148-A150 WeakPolarHBondContact OD1-CB 2.86Å; D148-A150 PolarHBondContact OD1-N 3.2Å; D148-A196 WeakPolarHBondContact O-CA 3.34Å; D148-N199 WeakPolarHBondContact CA-ND2 3.5Å; D148-N199 HydrophobicContact CB-CB 4.45Å; D148-N199 PolarHBondContact O-ND2 3.13Å
149	G	95.9	Very high	95.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	85.1	-7.2	-174.7	0	0	0	0	0	114.8	N147 E151 I152 L153	N147-G149 WeakPolarHBondContact OD1-CA 3.39Å; N147-G149 PolarHBondContact OD1-N 2.95Å; G149-E151 PolarHBondContact O-N 3.43Å; G149-I152 PolarHBondContact O-N 3.23Å; G149-L153 WeakPolarHBondContact O-CG 3.44Å; G149-L153 PolarHBondContact O-N 3.49Å
150	A	96.7	Very high	95.6	Very high	45 Å²	45	49 Å²	49	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-41.5	-171.2	0	0	0	0	0	112.9	D148 I152 L153 T154	D148-A150 VanDerWaalsContact C-N 3.34Å; D148-A150 VanDerWaalsContact OD1-CB 3.26Å; D148-A150 WeakPolarHBondContact OD1-CB 2.86Å; D148-A150 PolarHBondContact OD1-N 3.2Å; A150-I152 VanDerWaalsContact C-N 3.34Å; A150-I152 PolarHBondContact O-N 3.49Å; A150-L153 PolarHBondContact O-N 3.46Å; A150-T154 PolarHBondContact O-N 2.99Å; A150-T154 PolarHBondContact O-OG1 2.94Å
151	E	96.5	Very high	95.4	Very high	108 Å²	108	54.2 Å²	54.2	51%	0.505	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-39.7	177.2	-168.5	-180	177	0	0	111.5	F138 G149 T154 K155	F138-E151 HydrophobicContact CE1-CG 4.27Å; F138-E151 VanDerWaalsContact CZ-CD 3.47Å; F138-E151 HydrophobicContact CZ-CG 3.86Å; F138-E151 WeakPolarHBondContact CZ-OE1 3.42Å; G149-E151 PolarHBondContact O-N 3.43Å; E151-T154 WeakPolarHBondContact O-CB 3.41Å; E151-T154 PolarHBondContact O-N 3.24Å; E151-K155 PolarHBondContact O-N 2.71Å; E151-K155 VanDerWaalsContact O-N 3.13Å
152	I	97.2	Very high	95.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-43.3	178.3	-56.2	160.2	0	0	0	110.2	F138 T139 G149 A150 T154 K155 I156 F188 I192	F138-I152 HydrophobicContact CD1-CG1 4.06Å; F138-I152 HydrophobicContact CE1-CG1 3.7Å; T139-I152 HydrophobicContact CG2-CD1 4.06Å; T139-I152 WeakPolarHBondContact OG1-CG2 3.43Å; G149-I152 PolarHBondContact O-N 3.23Å; A150-I152 VanDerWaalsContact C-N 3.34Å; A150-I152 PolarHBondContact O-N 3.49Å; I152-T154 VanDerWaalsContact C-N 3.27Å; I152-T154 PolarHBondContact O-N 3.34Å; I152-K155 PolarHBondContact O-N 2.86Å; I152-I156 HydrophobicContact CG2-CD1 4.11Å; I152-I156 WeakPolarHBondContact O-CG1 2.93Å; I152-I156 PolarHBondContact O-N 2.94Å; I152-F188 HydrophobicContact CG2-CE1 4.31Å; I152-F188 HydrophobicContact CG2-CZ 4.05Å; I152-I192 HydrophobicContact CB-CD1 4.4Å; I152-I192 HydrophobicContact CB-CG2 4.04Å; I152-I192 HydrophobicContact CD1-CD1 4.05Å; I152-I192 HydrophobicContact CG2-CB 4.45Å; I152-I192 HydrophobicContact CG2-CD1 3.73Å; I152-I192 HydrophobicContact CG2-CG1 3.68Å; I152-I192 HydrophobicContact CG2-CG2 4.01Å
153	L	97.6	Very high	94.9	Very high	39 Å²	39	53.8 Å²	53.8	20%	0.204	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-35.4	174.3	-73.7	172	0	0	0	112.5	G149 A150 I156 A157 I192 E193 A196	G149-L153 WeakPolarHBondContact O-CG 3.44Å; G149-L153 PolarHBondContact O-N 3.49Å; A150-L153 PolarHBondContact O-N 3.46Å; L153-I156 HydrophobicContact CD2-CD1 4.23Å; L153-I156 PolarHBondContact O-N 3.49Å; L153-A157 PolarHBondContact O-N 2.98Å; L153-I192 HydrophobicContact CD2-CB 4.29Å; L153-I192 HydrophobicContact CD2-CG2 3.77Å; L153-I192 HydrophobicContact CG-CG2 3.67Å; L153-E193 HydrophobicContact CD2-CG 4.01Å; L153-A196 HydrophobicContact CD1-CB 3.76Å
154	T	97.4	Very high	94.5	Very high	77 Å²	77	60.6 Å²	60.6	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-62.9	-46.3	174.8	-57.5	0	0	0	0	110.6	A150 E151 I152 I156 A157 E158	A150-T154 PolarHBondContact O-N 2.99Å; A150-T154 PolarHBondContact O-OG1 2.94Å; E151-T154 WeakPolarHBondContact O-CB 3.41Å; E151-T154 PolarHBondContact O-N 3.24Å; I152-T154 VanDerWaalsContact C-N 3.27Å; I152-T154 PolarHBondContact O-N 3.34Å; T154-I156 VanDerWaalsContact C-N 3.34Å; T154-I156 PolarHBondContact O-N 3.05Å; T154-A157 PolarHBondContact O-N 2.98Å; T154-E158 WeakPolarHBondContact O-CG 3.3Å; T154-E158 PolarHBondContact O-N 3.09Å
155	K	96.6	Very high	94.4	Very high	66 Å²	66	67.4 Å²	67.4	29%	0.287	34%	0.341	S	S	.	.	H	α-helix	trans	-64.2	-36.1	175.6	-69.5	-176.9	-178.8	-62.4	0	113.2	L135 F138 E151 I152 E158 T159	L135-K155 HydrophobicContact CD2-CB 3.72Å; F138-K155 HydrophobicContact CD1-CD 3.49Å; F138-K155 VanDerWaalsContact CD1-CD 3.49Å; F138-K155 HydrophobicContact CD2-CD 4.19Å; F138-K155 HydrophobicContact CE1-CD 3.6Å; F138-K155 HydrophobicContact CE2-CD 4.29Å; F138-K155 HydrophobicContact CG-CD 3.8Å; F138-K155 HydrophobicContact CZ-CD 4.01Å; E151-K155 PolarHBondContact O-N 2.71Å; E151-K155 VanDerWaalsContact O-N 3.13Å; I152-K155 PolarHBondContact O-N 2.86Å; K155-E158 PolarHBondContact O-N 2.95Å; K155-T159 WeakPolarHBondContact O-CB 3.44Å; K155-T159 PolarHBondContact O-N 3.46Å; K155-T159 PolarHBondContact O-OG1 3.26Å
156	I	97.4	Very high	94.2	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-60.1	-49.5	172.7	-72.8	163.7	0	0	0	109.6	L135 I152 L153 T154 E158 T159 D160 F185 F188 Q189 I192	L135-I156 HydrophobicContact CD1-CG1 4.49Å; L135-I156 HydrophobicContact CD2-CG1 4.22Å; I152-I156 HydrophobicContact CG2-CD1 4.11Å; I152-I156 WeakPolarHBondContact O-CG1 2.93Å; I152-I156 PolarHBondContact O-N 2.94Å; L153-I156 HydrophobicContact CD2-CD1 4.23Å; L153-I156 PolarHBondContact O-N 3.49Å; T154-I156 VanDerWaalsContact C-N 3.34Å; T154-I156 PolarHBondContact O-N 3.05Å; I156-E158 PolarHBondContact O-N 3.37Å; I156-T159 WeakPolarHBondContact O-CB 3.45Å; I156-T159 PolarHBondContact O-N 3.45Å; I156-T159 VanDerWaalsContact O-N 3.1Å; I156-D160 PolarHBondContact O-N 3.37Å; I156-F185 HydrophobicContact CB-CE2 4.48Å; I156-F185 HydrophobicContact CG2-CE1 4.5Å; I156-F185 HydrophobicContact CG2-CE2 3.95Å; I156-F185 HydrophobicContact CG2-CZ 3.62Å; I156-F185 WeakPolarHBondContact O-CZ 3.47Å; I156-F188 HydrophobicContact CD1-CD1 4.07Å; I156-F188 HydrophobicContact CD1-CE1 3.76Å; I156-F188 HydrophobicContact CG1-CD1 4.17Å; I156-F188 HydrophobicContact CG1-CE1 3.86Å; I156-Q189 HydrophobicContact CD1-CB 4.45Å; I156-Q189 HydrophobicContact CG2-CB 4.07Å; I156-Q189 HydrophobicContact CG2-CG 4.02Å; I156-I192 HydrophobicContact CD1-CB 4.04Å; I156-I192 HydrophobicContact CD1-CG1 3.93Å; I156-I192 HydrophobicContact CD1-CG2 4.35Å
157	A	96.9	Very high	94.1	Very high	52 Å²	52	69.1 Å²	69.1	43%	0.43	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-40.9	179.1	0	0	0	0	0	112.9	L153 T154 T159 D160 Q161	L153-A157 PolarHBondContact O-N 2.98Å; T154-A157 PolarHBondContact O-N 2.98Å; A157-T159 VanDerWaalsContact C-N 3.31Å; A157-T159 PolarHBondContact O-N 3.08Å; A157-D160 PolarHBondContact O-N 3.32Å; A157-Q161 WeakPolarHBondContact O-CG 3.28Å; A157-Q161 PolarHBondContact O-N 3.28Å; A157-Q161 VanDerWaalsContact O-N 3.11Å
158	E	95.5	Very high	94	Very high	92 Å²	92	75.3 Å²	75.3	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-62.3	-38.4	173.4	-69.9	172.4	177.1	0	0	112.2	T154 K155 I156 R162	T154-E158 WeakPolarHBondContact O-CG 3.3Å; T154-E158 PolarHBondContact O-N 3.09Å; K155-E158 PolarHBondContact O-N 2.95Å; I156-E158 PolarHBondContact O-N 3.37Å; E158-R162 WeakPolarHBondContact O-CG 3.39Å; E158-R162 PolarHBondContact O-N 2.86Å; E158-R162 PolarHBondContact O-NH1 3.37Å
159	T	94	Very high	93.8	Very high	7 Å²	7	73 Å²	73	4%	0.043	36%	0.363	C	S	.	.	H	α-helix	trans	-69.8	-41.8	178.3	-55.7	0	0	0	0	111.5	E131 L135 K155 I156 A157 Q161 R162 Y163 F185	E131-T159 HydrophobicContact CB-CG2 3.77Å; E131-T159 HydrophobicContact CG-CG2 4.42Å; L135-T159 HydrophobicContact CD1-CG2 4.02Å; K155-T159 WeakPolarHBondContact O-CB 3.44Å; K155-T159 PolarHBondContact O-N 3.46Å; K155-T159 PolarHBondContact O-OG1 3.26Å; I156-T159 WeakPolarHBondContact O-CB 3.45Å; I156-T159 PolarHBondContact O-N 3.45Å; I156-T159 VanDerWaalsContact O-N 3.1Å; A157-T159 VanDerWaalsContact C-N 3.31Å; A157-T159 PolarHBondContact O-N 3.08Å; T159-Q161 VanDerWaalsContact C-N 3.32Å; T159-Q161 PolarHBondContact O-N 2.91Å; T159-R162 PolarHBondContact O-N 3.12Å; T159-R162 VanDerWaalsContact O-N 3.16Å; T159-R162 PolarHBondContact OG1-NH2 2.91Å; T159-Y163 PolarHBondContact O-N 2.93Å; T159-F185 HydrophobicContact CG2-CD2 4.4Å; T159-F185 HydrophobicContact CG2-CE2 3.89Å
160	D	93.5	Very high	93.6	Very high	41 Å²	41	82 Å²	82	22%	0.219	41%	0.405	C	S	.	.	H	α-helix	trans	-58.8	-44.3	174.6	-173.5	64.8	0	0	0	111.3	I156 A157 R162 Y163 Q164 F185	I156-D160 PolarHBondContact O-N 3.37Å; A157-D160 PolarHBondContact O-N 3.32Å; D160-R162 VanDerWaalsContact C-N 3.32Å; D160-R162 PolarHBondContact O-N 2.89Å; D160-Y163 WeakPolarHBondContact O-CB 3.35Å; D160-Y163 PolarHBondContact O-N 3.1Å; D160-Q164 WeakPolarHBondContact O-CG 3.43Å; D160-Q164 PolarHBondContact O-N 2.97Å; D160-Q164 PolarHBondContact OD2-NE2 3.48Å; D160-F185 HydrophobicContact CB-CE1 4.06Å; D160-F185 HydrophobicContact CB-CZ 3.94Å
161	Q	93.4	Very high	93.5	Very high	120 Å²	120	82.7 Å²	82.7	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-59.8	-40.1	175.5	-73.5	-176.4	-0.8	0	0	112.9	A157 T159 Q165	A157-Q161 WeakPolarHBondContact O-CG 3.28Å; A157-Q161 PolarHBondContact O-N 3.28Å; A157-Q161 VanDerWaalsContact O-N 3.11Å; T159-Q161 VanDerWaalsContact C-N 3.32Å; T159-Q161 PolarHBondContact O-N 2.91Å; Q161-Q165 WeakPolarHBondContact O-CG 3.26Å; Q161-Q165 PolarHBondContact O-N 2.47Å
162	R	91.2	Very high	93.3	Very high	92 Å²	92	86.9 Å²	86.9	35%	0.347	42%	0.419	S	S	.	.	H	α-helix	trans	-68	-40.4	175.5	-70.8	-170.1	-56.8	-89	3.8	111.7	E131 E158 T159 D160 Q164 Q165 K166	E131-R162 WeakPolarHBondContact OE1-CB 3.14Å; E131-R162 IonicContact OE1-CZ 3.93Å; E131-R162 IonicContact OE1-NE 2.71Å; E131-R162 PolarHBondContact OE1-NE 3.08Å; E131-R162 IonicContact OE1-NH2 3.2Å; E158-R162 WeakPolarHBondContact O-CG 3.39Å; E158-R162 PolarHBondContact O-N 2.86Å; E158-R162 PolarHBondContact O-NH1 3.37Å; T159-R162 PolarHBondContact O-N 3.12Å; T159-R162 VanDerWaalsContact O-N 3.16Å; T159-R162 PolarHBondContact OG1-NH2 2.91Å; D160-R162 VanDerWaalsContact C-N 3.32Å; D160-R162 PolarHBondContact O-N 2.89Å; R162-Q164 VanDerWaalsContact C-N 3.3Å; R162-Q164 PolarHBondContact O-N 3.3Å; R162-Q165 PolarHBondContact O-N 2.87Å; R162-K166 PolarHBondContact O-N 2.8Å
163	Y	88.4	Confident	93.1	Very high	58 Å²	58	92.7 Å²	92.7	23%	0.227	45%	0.446	C	S	.	.	H	α-helix	trans	-59	-42	176.4	-163.9	-87.8	0	0	0	111.5	T159 D160 Q165 K166 R178 F182	T159-Y163 PolarHBondContact O-N 2.93Å; D160-Y163 WeakPolarHBondContact O-CB 3.35Å; D160-Y163 PolarHBondContact O-N 3.1Å; Y163-Q165 PolarHBondContact O-N 3Å; Y163-K166 HydrophobicContact CD2-CD 4.37Å; Y163-K166 WeakPolarHBondContact O-CB 3.4Å; Y163-K166 PolarHBondContact O-N 3.38Å; Y163-R178 PolarHBondContact OH-O 3.2Å; Y163-F182 AromaticContact CD1-CD2 3.9Å; Y163-F182 HydrophobicContact CD1-CD2 3.9Å; Y163-F182 HydrophobicContact CD1-CE2 4.25Å; Y163-F182 HydrophobicContact CE1-CB 4.32Å; Y163-F182 AromaticContact CE1-CD2 3.65Å; Y163-F182 HydrophobicContact CE1-CD2 3.65Å; Y163-F182 HydrophobicContact CE1-CE2 4.33Å; Y163-F182 HydrophobicContact CE1-CG 4.22Å; Y163-F182 HydrophobicContact CG-CD2 4.45Å; Y163-F182 AromaticContact CZ-CD2 3.99Å
164	Q	87.3	Confident	92.9	Very high	143 Å²	143	91.9 Å²	91.9	67%	0.668	44%	0.443	S	S	*	.	H	α-helix	trans	-64.3	-21	175.9	-67.8	-178.4	29.6	0	0	114.1	D160 R162	D160-Q164 WeakPolarHBondContact O-CG 3.43Å; D160-Q164 PolarHBondContact O-N 2.97Å; D160-Q164 PolarHBondContact OD2-NE2 3.48Å; R162-Q164 VanDerWaalsContact C-N 3.3Å; R162-Q164 PolarHBondContact O-N 3.3Å
165	Q	90.5	Very high	92.7	Very high	157 Å²	157	94 Å²	94	73%	0.734	45%	0.446	S	S	*	.	H	α-helix	trans	-93.7	-7.3	178.9	-66.1	173.6	15.9	0	0	113.2	Q161 R162 Y163	Q161-Q165 WeakPolarHBondContact O-CG 3.26Å; Q161-Q165 PolarHBondContact O-N 2.47Å; R162-Q165 PolarHBondContact O-N 2.87Å; Y163-Q165 PolarHBondContact O-N 3Å
166	K	89.2	Confident	92.5	Very high	63 Å²	63	95.1 Å²	95.1	27%	0.274	45%	0.452	S	S	.	.	S	Bend	trans	-64.9	146.1	178.7	-71.5	-174.5	179.8	-178.9	0	110.7	D128 E131 R162 Y163	D128-K166 IonicContact OD1-NZ 3.58Å; E131-K166 VanDerWaalsContact OE2-CE 3.23Å; E131-K166 WeakPolarHBondContact OE2-CE 3.45Å; E131-K166 IonicContact OE2-NZ 3.81Å; E131-K166 PolarHBondContact OE2-NZ 2.77Å; R162-K166 PolarHBondContact O-N 2.8Å; Y163-K166 HydrophobicContact CD2-CD 4.37Å; Y163-K166 WeakPolarHBondContact O-CB 3.4Å; Y163-K166 PolarHBondContact O-N 3.38Å
167	K	91.4	Very high	92.3	Very high	171 Å²	171	95.8 Å²	95.8	74%	0.743	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-58.5	144.6	172.2	-67	179.8	-179.4	175.8	0	109.7	R178	K167-R178 PolarHBondContact O-NH1 3.15Å
168	L	91.5	Very high	92.1	Very high	154 Å²	154	95.5 Å²	95.5	81%	0.806	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-54.9	144.7	173.1	-67.7	171.5	0	0	0	110.7	E170	L168-E170 PolarHBondContact O-N 2.94Å
169	P	91.5	Very high	92	Very high	42 Å²	42	93.2 Å²	93.2	27%	0.273	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-62.6	132.4	175.7	24.4	-30.7	0	0	0	110.4	S171 F175	P169-S171 VanDerWaalsContact C-N 3.34Å; P169-F175 HydrophobicContact CB-CB 3.98Å; P169-F175 HydrophobicContact CG-CB 3.7Å; P169-F175 HydrophobicContact CG-CD2 3.87Å; P169-F175 HydrophobicContact CG-CG 4.29Å
170	E	91.9	Very high	92	Very high	189 Å²	189	95.3 Å²	95.3	88%	0.883	45%	0.45	S	S	*	.	S	Bend	trans	-82.4	-16.3	-177.4	-60.7	-175.7	172.9	0	0	112.5	L168	L168-E170 PolarHBondContact O-N 2.94Å
171	S	94.4	Very high	92	Very high	61 Å²	61	93.5 Å²	93.5	43%	0.427	44%	0.441	S	S	.	.	S	Bend	trans	-134.3	157.6	-179.8	78.3	0	0	0	0	111.5	P169 Q173 S174 F175	P169-S171 VanDerWaalsContact C-N 3.34Å; S171-Q173 VanDerWaalsContact C-N 3.27Å; S171-Q173 PolarHBondContact O-N 3.43Å; S171-S174 PolarHBondContact O-N 3.12Å; S171-S174 WeakPolarHBondContact OG-CB 3.49Å; S171-S174 PolarHBondContact OG-N 3.28Å; S171-S174 VanDerWaalsContact OG-N 3.08Å; S171-F175 PolarHBondContact O-N 2.97Å
172	R	93.4	Very high	92	Very high	196 Å²	196	90.7 Å²	90.7	74%	0.74	43%	0.427	S	S	*	.	H	α-helix	trans	-60.1	-39.1	173.7	179.4	174.4	174.1	-164.4	-5.3	112.1	F175 E176	R172-F175 WeakPolarHBondContact O-CB 3.27Å; R172-F175 PolarHBondContact O-N 3.47Å; R172-E176 HydrophobicContact CG-CG 4.48Å; R172-E176 IonicContact CZ-OE1 2.82Å; R172-E176 VanDerWaalsContact CZ-OE1 3.22Å; R172-E176 IonicContact NE-OE1 2.79Å; R172-E176 PolarHBondContact NE-OE1 2.97Å; R172-E176 IonicContact NH2-OE1 2.87Å; R172-E176 PolarHBondContact NH2-OE1 3.37Å; R172-E176 WeakPolarHBondContact O-CG 3.47Å; R172-E176 PolarHBondContact O-N 3.5Å
173	Q	92.4	Very high	92.3	Very high	123 Å²	123	91.2 Å²	91.2	58%	0.575	43%	0.433	S	S	*	.	H	α-helix	trans	-60.1	-51.1	176.8	175.4	176.3	-7.6	0	0	110.7	S171 F175 E176 E177	S171-Q173 VanDerWaalsContact C-N 3.27Å; S171-Q173 PolarHBondContact O-N 3.43Å; Q173-F175 VanDerWaalsContact C-N 3.25Å; Q173-F175 PolarHBondContact O-N 3.45Å; Q173-E176 PolarHBondContact O-N 2.96Å; Q173-E177 HydrophobicContact CG-CG 4.46Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.35Å; Q173-E177 PolarHBondContact NE2-OE1 3.29Å; Q173-E177 WeakPolarHBondContact O-CG 3.47Å; Q173-E177 PolarHBondContact O-N 3.13Å
174	S	92.1	Very high	92.6	Very high	21 Å²	21	88.4 Å²	88.4	15%	0.147	42%	0.422	C	S	.	.	H	α-helix	trans	-59.8	-35.9	176.7	177	0	0	0	0	112.3	S171 R178	S171-S174 PolarHBondContact O-N 3.12Å; S171-S174 WeakPolarHBondContact OG-CB 3.49Å; S171-S174 PolarHBondContact OG-N 3.28Å; S171-S174 VanDerWaalsContact OG-N 3.08Å; S174-R178 VanDerWaalsContact O-CB 3.26Å; S174-R178 WeakPolarHBondContact O-CB 3.38Å; S174-R178 WeakPolarHBondContact O-CG 3.47Å; S174-R178 PolarHBondContact O-N 2.95Å
175	F	93.6	Very high	93.1	Very high	123 Å²	123	82.1 Å²	82.1	54%	0.539	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-46.9	173	173.5	-92.2	0	0	0	112.3	P169 S171 R172 Q173 R178 A179	P169-F175 HydrophobicContact CB-CB 3.98Å; P169-F175 HydrophobicContact CG-CB 3.7Å; P169-F175 HydrophobicContact CG-CD2 3.87Å; P169-F175 HydrophobicContact CG-CG 4.29Å; S171-F175 PolarHBondContact O-N 2.97Å; R172-F175 WeakPolarHBondContact O-CB 3.27Å; R172-F175 PolarHBondContact O-N 3.47Å; Q173-F175 VanDerWaalsContact C-N 3.25Å; Q173-F175 PolarHBondContact O-N 3.45Å; F175-R178 PolarHBondContact O-N 2.85Å; F175-A179 VanDerWaalsContact O-CB 3.28Å; F175-A179 WeakPolarHBondContact O-CB 3.49Å; F175-A179 PolarHBondContact O-N 3.31Å
176	E	93.4	Very high	93.4	Very high	88 Å²	88	78.9 Å²	78.9	41%	0.411	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-42.3	-179.4	-72.1	179.6	-173.8	0	0	111.7	R172 Q173 A179 M180	R172-E176 HydrophobicContact CG-CG 4.48Å; R172-E176 IonicContact CZ-OE1 2.82Å; R172-E176 VanDerWaalsContact CZ-OE1 3.22Å; R172-E176 IonicContact NE-OE1 2.79Å; R172-E176 PolarHBondContact NE-OE1 2.97Å; R172-E176 IonicContact NH2-OE1 2.87Å; R172-E176 PolarHBondContact NH2-OE1 3.37Å; R172-E176 WeakPolarHBondContact O-CG 3.47Å; R172-E176 PolarHBondContact O-N 3.5Å; Q173-E176 PolarHBondContact O-N 2.96Å; E176-A179 PolarHBondContact O-N 3.2Å; E176-M180 WeakPolarHBondContact O-CG 3.4Å; E176-M180 PolarHBondContact O-N 3.11Å
177	E	92.4	Very high	93.8	Very high	18 Å²	18	77.3 Å²	77.3	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-62.7	-47.4	176.1	-66.5	168.6	-175.6	0	0	111.8	D123 A124 Q173 A179 M180 L181	D123-E177 WeakPolarHBondContact O-CG 3.47Å; A124-E177 HydrophobicContact CB-CB 4.1Å; Q173-E177 HydrophobicContact CG-CG 4.46Å; Q173-E177 WeakPolarHBondContact CG-OE1 3.35Å; Q173-E177 PolarHBondContact NE2-OE1 3.29Å; Q173-E177 WeakPolarHBondContact O-CG 3.47Å; Q173-E177 PolarHBondContact O-N 3.13Å; E177-A179 VanDerWaalsContact C-N 3.33Å; E177-A179 PolarHBondContact O-N 3.39Å; E177-M180 HydrophobicContact CG-CE 4.49Å; E177-M180 PolarHBondContact O-N 3.13Å; E177-L181 PolarHBondContact O-N 3.06Å
178	R	92.2	Very high	94.1	Very high	46 Å²	46	69.1 Å²	69.1	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-35.6	177	-74.7	178.1	178	-176	2	112.6	D128 Y163 K167 S174 F175 L181 F182	D128-R178 IonicContact OD1-NE 2.96Å; D128-R178 IonicContact OD1-NH2 3.73Å; D128-R178 IonicContact OD2-CZ 3.22Å; D128-R178 IonicContact OD2-NE 3.72Å; D128-R178 PolarHBondContact OD2-NE 3.25Å; D128-R178 IonicContact OD2-NH2 3.84Å; Y163-R178 PolarHBondContact OH-O 3.2Å; K167-R178 PolarHBondContact O-NH1 3.15Å; S174-R178 VanDerWaalsContact O-CB 3.26Å; S174-R178 WeakPolarHBondContact O-CB 3.38Å; S174-R178 WeakPolarHBondContact O-CG 3.47Å; S174-R178 PolarHBondContact O-N 2.95Å; F175-R178 PolarHBondContact O-N 2.85Å; R178-L181 PolarHBondContact O-N 3.2Å; R178-F182 WeakPolarHBondContact O-CB 3.38Å; R178-F182 PolarHBondContact O-N 3.5Å
179	A	93.4	Very high	94.4	Very high	45 Å²	45	64.6 Å²	64.6	37%	0.372	31%	0.311	S	S	.	.	H	α-helix	trans	-64.7	-40.5	174.4	0	0	0	0	0	111.7	F175 E176 E177 F182 Q183	F175-A179 VanDerWaalsContact O-CB 3.28Å; F175-A179 WeakPolarHBondContact O-CB 3.49Å; F175-A179 PolarHBondContact O-N 3.31Å; E176-A179 PolarHBondContact O-N 3.2Å; E177-A179 VanDerWaalsContact C-N 3.33Å; E177-A179 PolarHBondContact O-N 3.39Å; A179-F182 PolarHBondContact O-N 2.86Å; A179-Q183 WeakPolarHBondContact O-CB 3.46Å; A179-Q183 PolarHBondContact O-N 3.08Å
180	M	94.3	Very high	94.8	Very high	50 Å²	50	65.9 Å²	65.9	25%	0.246	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-42.9	173.3	-71.8	-172.3	-67.2	0	0	111.9	I118 L122 E176 E177 F182 Q183 L184	I118-M180 HydrophobicContact CG2-CB 4.16Å; L122-M180 HydrophobicContact CD1-CB 4.32Å; E176-M180 WeakPolarHBondContact O-CG 3.4Å; E176-M180 PolarHBondContact O-N 3.11Å; E177-M180 HydrophobicContact CG-CE 4.49Å; E177-M180 PolarHBondContact O-N 3.13Å; M180-F182 VanDerWaalsContact C-N 3.34Å; M180-F182 PolarHBondContact O-N 3.33Å; M180-Q183 PolarHBondContact O-N 2.94Å; M180-L184 PolarHBondContact O-N 3.1Å
181	L	94.2	Very high	95.1	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-61.4	-42.8	174.8	-72.3	170.3	0	0	0	112.2	L122 A124 D128 V129 L132 E177 R178 Q183 L184 F185	L122-L181 HydrophobicContact CD1-CD2 3.56Å; L122-L181 HydrophobicContact CD1-CG 3.79Å; L122-L181 HydrophobicContact CD2-CD2 3.8Å; L122-L181 HydrophobicContact CG-CD2 4.26Å; A124-L181 HydrophobicContact CB-CD1 3.65Å; A124-L181 HydrophobicContact CB-CD2 4.49Å; A124-L181 HydrophobicContact CB-CG 4.16Å; D128-L181 HydrophobicContact CB-CD1 3.61Å; V129-L181 HydrophobicContact CB-CD2 4.48Å; V129-L181 HydrophobicContact CG1-CD1 4.39Å; V129-L181 HydrophobicContact CG1-CD2 3.9Å; L132-L181 HydrophobicContact CD1-CB 4.31Å; L132-L181 HydrophobicContact CD1-CD2 3.7Å; E177-L181 PolarHBondContact O-N 3.06Å; R178-L181 PolarHBondContact O-N 3.2Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 3.41Å; L181-L184 PolarHBondContact O-N 3.31Å; L181-F185 WeakPolarHBondContact O-CB 3.36Å; L181-F185 PolarHBondContact O-N 3.06Å
182	F	94.2	Very high	95.3	Very high	61 Å²	61	54 Å²	54	27%	0.268	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-40.4	176.9	-171.6	-107.3	0	0	0	111.7	Y163 R178 A179 M180 L184 F185 Q186	Y163-F182 AromaticContact CD1-CD2 3.9Å; Y163-F182 HydrophobicContact CD1-CD2 3.9Å; Y163-F182 HydrophobicContact CD1-CE2 4.25Å; Y163-F182 HydrophobicContact CE1-CB 4.32Å; Y163-F182 AromaticContact CE1-CD2 3.65Å; Y163-F182 HydrophobicContact CE1-CD2 3.65Å; Y163-F182 HydrophobicContact CE1-CE2 4.33Å; Y163-F182 HydrophobicContact CE1-CG 4.22Å; Y163-F182 HydrophobicContact CG-CD2 4.45Å; Y163-F182 AromaticContact CZ-CD2 3.99Å; R178-F182 WeakPolarHBondContact O-CB 3.38Å; R178-F182 PolarHBondContact O-N 3.5Å; A179-F182 PolarHBondContact O-N 2.86Å; M180-F182 VanDerWaalsContact C-N 3.34Å; M180-F182 PolarHBondContact O-N 3.33Å; F182-L184 PolarHBondContact O-N 3.35Å; F182-F185 HydrophobicContact CD2-CD1 4.27Å; F182-F185 HydrophobicContact CE2-CD1 4.25Å; F182-F185 WeakPolarHBondContact O-CB 3.36Å; F182-F185 PolarHBondContact O-N 3.15Å; F182-Q186 HydrophobicContact CD1-CG 4.23Å; F182-Q186 HydrophobicContact CE1-CG 3.93Å; F182-Q186 HydrophobicContact CZ-CG 4.13Å; F182-Q186 WeakPolarHBondContact O-CG 3.18Å; F182-Q186 PolarHBondContact O-N 3.07Å
183	Q	96.1	Very high	95.5	Very high	102 Å²	102	49 Å²	49	48%	0.477	24%	0.238	S	C	.	.	H	α-helix	trans	-62.1	-42.5	174.3	-169	-172.8	13	0	0	111.8	I118 A179 M180 L181 F185 Q186 L187	I118-Q183 HydrophobicContact CD1-CB 3.89Å; I118-Q183 VanDerWaalsContact CD1-CD 3.45Å; I118-Q183 HydrophobicContact CD1-CG 3.48Å; I118-Q183 VanDerWaalsContact CD1-CG 3.48Å; A179-Q183 WeakPolarHBondContact O-CB 3.46Å; A179-Q183 PolarHBondContact O-N 3.08Å; M180-Q183 PolarHBondContact O-N 2.94Å; L181-Q183 VanDerWaalsContact C-N 3.34Å; L181-Q183 PolarHBondContact O-N 3.41Å; Q183-F185 VanDerWaalsContact C-N 3.34Å; Q183-Q186 PolarHBondContact O-N 3.2Å; Q183-L187 WeakPolarHBondContact O-CG 3.42Å; Q183-L187 PolarHBondContact O-N 2.88Å; Q183-L187 VanDerWaalsContact O-N 3.07Å
184	L	96	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-41.6	174.6	179.6	56.4	0	0	0	111.6	L56 M115 I118 L119 L122 L132 F136 M180 L181 F182 L187 F188	L56-L184 HydrophobicContact CD2-CD2 4.21Å; M115-L184 HydrophobicContact CB-CD1 3.53Å; M115-L184 HydrophobicContact CG-CD1 3.69Å; M115-L184 HydrophobicContact SD-CD1 4.11Å; I118-L184 HydrophobicContact CD1-CB 4.41Å; I118-L184 HydrophobicContact CG2-CB 4.13Å; L119-L184 HydrophobicContact CD1-CD2 4.49Å; L122-L184 HydrophobicContact CD2-CD2 4.48Å; L132-L184 HydrophobicContact CD1-CB 4.27Å; L132-L184 HydrophobicContact CD1-CD2 3.97Å; L132-L184 HydrophobicContact CD1-CG 4.1Å; F136-L184 HydrophobicContact CE2-CD2 4.34Å; F136-L184 HydrophobicContact CZ-CD1 4.05Å; F136-L184 HydrophobicContact CZ-CD2 4.2Å; F136-L184 HydrophobicContact CZ-CG 4.05Å; M180-L184 PolarHBondContact O-N 3.1Å; L181-L184 PolarHBondContact O-N 3.31Å; F182-L184 PolarHBondContact O-N 3.35Å; L184-L187 PolarHBondContact O-N 3.33Å; L184-F188 WeakPolarHBondContact O-CB 3.25Å; L184-F188 PolarHBondContact O-N 3.31Å
185	F	96.4	Very high	96	Very high	10 Å²	10	44.1 Å²	44.1	4%	0.044	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-44.3	175.1	172.9	-103.1	0	0	0	112.7	L132 L135 I156 T159 D160 L181 F182 Q183 F188 Q189	L132-F185 HydrophobicContact CD2-CB 4Å; L132-F185 HydrophobicContact CD2-CD2 4.21Å; L135-F185 HydrophobicContact CD1-CD2 3.93Å; L135-F185 HydrophobicContact CD1-CE2 3.78Å; I156-F185 HydrophobicContact CB-CE2 4.48Å; I156-F185 HydrophobicContact CG2-CE1 4.5Å; I156-F185 HydrophobicContact CG2-CE2 3.95Å; I156-F185 HydrophobicContact CG2-CZ 3.62Å; I156-F185 WeakPolarHBondContact O-CZ 3.47Å; T159-F185 HydrophobicContact CG2-CD2 4.4Å; T159-F185 HydrophobicContact CG2-CE2 3.89Å; D160-F185 HydrophobicContact CB-CE1 4.06Å; D160-F185 HydrophobicContact CB-CZ 3.94Å; L181-F185 WeakPolarHBondContact O-CB 3.36Å; L181-F185 PolarHBondContact O-N 3.06Å; F182-F185 HydrophobicContact CD2-CD1 4.27Å; F182-F185 HydrophobicContact CE2-CD1 4.25Å; F182-F185 WeakPolarHBondContact O-CB 3.36Å; F182-F185 PolarHBondContact O-N 3.15Å; Q183-F185 VanDerWaalsContact C-N 3.34Å; F185-F188 WeakPolarHBondContact O-CB 3.18Å; F185-F188 PolarHBondContact O-N 2.84Å; F185-Q189 PolarHBondContact O-N 3.43Å
186	Q	97.1	Very high	96.2	Very high	89 Å²	89	38.6 Å²	38.6	42%	0.416	19%	0.191	S	C	.	.	H	α-helix	trans	-63.6	-44.4	176.8	-72.3	-177.8	-44.4	0	0	112.2	F182 Q183 F188 Q189 D190	F182-Q186 HydrophobicContact CD1-CG 4.23Å; F182-Q186 HydrophobicContact CE1-CG 3.93Å; F182-Q186 HydrophobicContact CZ-CG 4.13Å; F182-Q186 WeakPolarHBondContact O-CG 3.18Å; F182-Q186 PolarHBondContact O-N 3.07Å; Q183-Q186 PolarHBondContact O-N 3.2Å; Q186-F188 VanDerWaalsContact C-N 3.27Å; Q186-F188 PolarHBondContact O-N 2.94Å; Q186-Q189 WeakPolarHBondContact O-CB 3.39Å; Q186-Q189 PolarHBondContact O-N 3.47Å; Q186-Q189 VanDerWaalsContact O-N 3.13Å; Q186-D190 PolarHBondContact O-N 2.75Å
187	L	98.2	Very high	96.3	Very high	30 Å²	30	35.6 Å²	35.6	16%	0.157	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-37.9	174.3	-71.1	175.2	0	0	0	111.7	V111 D114 M115 I118 Q183 L184 Q189 D190 F191	V111-L187 HydrophobicContact CG1-CB 4.12Å; V111-L187 HydrophobicContact CG1-CD2 4.33Å; V111-L187 WeakPolarHBondContact CG1-O 3.33Å; D114-L187 HydrophobicContact CB-CD1 3.94Å; D114-L187 HydrophobicContact CB-CD2 4.31Å; M115-L187 HydrophobicContact CG-CB 3.55Å; M115-L187 HydrophobicContact CG-CD1 4.14Å; M115-L187 HydrophobicContact SD-CB 4.34Å; I118-L187 HydrophobicContact CD1-CD1 3.5Å; I118-L187 VanDerWaalsContact CD1-CD1 3.5Å; I118-L187 HydrophobicContact CG1-CD1 4.45Å; Q183-L187 WeakPolarHBondContact O-CG 3.42Å; Q183-L187 PolarHBondContact O-N 2.88Å; Q183-L187 VanDerWaalsContact O-N 3.07Å; L184-L187 PolarHBondContact O-N 3.33Å; L187-Q189 VanDerWaalsContact C-N 3.33Å; L187-D190 PolarHBondContact O-N 3.46Å; L187-F191 WeakPolarHBondContact O-CB 3.36Å; L187-F191 PolarHBondContact O-N 3.38Å
188	F	98	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-38.3	174.7	177.9	-107.9	0	0	0	112.3	L49 M115 L135 F136 T139 I152 I156 L184 F185 Q186 F191 I192	L49-F188 HydrophobicContact CD2-CE2 4.39Å; M115-F188 HydrophobicContact SD-CB 3.78Å; M115-F188 HydrophobicContact SD-CD2 4.26Å; L135-F188 HydrophobicContact CB-CD1 4.33Å; L135-F188 HydrophobicContact CB-CE1 3.77Å; L135-F188 HydrophobicContact CB-CZ 4.31Å; L135-F188 HydrophobicContact CD1-CD1 4.31Å; L135-F188 HydrophobicContact CD1-CE1 4.25Å; L135-F188 HydrophobicContact CD2-CE1 4.38Å; L135-F188 HydrophobicContact CG-CE1 4.37Å; F136-F188 AromaticContact CD1-CD2 3.7Å; F136-F188 HydrophobicContact CD1-CD2 3.7Å; F136-F188 AromaticContact CD1-CE2 3.85Å; F136-F188 HydrophobicContact CD1-CE2 3.85Å; F136-F188 HydrophobicContact CD1-CG 4.14Å; F136-F188 HydrophobicContact CD1-CZ 4.41Å; F136-F188 HydrophobicContact CE1-CB 3.92Å; F136-F188 HydrophobicContact CE1-CD1 4.4Å; F136-F188 AromaticContact CE1-CD2 3.44Å; F136-F188 HydrophobicContact CE1-CD2 3.44Å; F136-F188 VanDerWaalsContact CE1-CD2 3.44Å; F136-F188 HydrophobicContact CE1-CE2 4.09Å; F136-F188 AromaticContact CE1-CG 3.63Å; F136-F188 HydrophobicContact CE1-CG 3.63Å; T139-F188 HydrophobicContact CG2-CE2 4.18Å; T139-F188 HydrophobicContact CG2-CZ 4.23Å; T139-F188 VanDerWaalsContact OG1-CZ 3.26Å; T139-F188 WeakPolarHBondContact OG1-CZ 3.35Å; I152-F188 HydrophobicContact CG2-CE1 4.31Å; I152-F188 HydrophobicContact CG2-CZ 4.05Å; I156-F188 HydrophobicContact CD1-CD1 4.07Å; I156-F188 HydrophobicContact CD1-CE1 3.76Å; I156-F188 HydrophobicContact CG1-CD1 4.17Å; I156-F188 HydrophobicContact CG1-CE1 3.86Å; L184-F188 WeakPolarHBondContact O-CB 3.25Å; L184-F188 PolarHBondContact O-N 3.31Å; F185-F188 WeakPolarHBondContact O-CB 3.18Å; F185-F188 PolarHBondContact O-N 2.84Å; Q186-F188 VanDerWaalsContact C-N 3.27Å; Q186-F188 PolarHBondContact O-N 2.94Å; F188-F191 HydrophobicContact CD2-CD1 4.49Å; F188-F191 HydrophobicContact CE2-CD1 4.36Å; F188-F191 WeakPolarHBondContact O-CB 3.29Å; F188-F191 PolarHBondContact O-N 2.97Å; F188-I192 HydrophobicContact CE1-CG1 4.21Å; F188-I192 HydrophobicContact CE2-CD1 4.17Å; F188-I192 HydrophobicContact CE2-CG1 4.09Å; F188-I192 HydrophobicContact CZ-CD1 4.07Å; F188-I192 HydrophobicContact CZ-CG1 3.81Å; F188-I192 WeakPolarHBondContact O-CG1 3.27Å; F188-I192 PolarHBondContact O-N 2.87Å
189	Q	98.2	Very high	96.5	Very high	58 Å²	58	35 Å²	35	27%	0.271	18%	0.183	S	C	.	.	H	α-helix	trans	-59.8	-49.7	171.3	177.9	177.5	-10.9	0	0	111.3	I156 F185 Q186 L187 F191 I192 E193	I156-Q189 HydrophobicContact CD1-CB 4.45Å; I156-Q189 HydrophobicContact CG2-CB 4.07Å; I156-Q189 HydrophobicContact CG2-CG 4.02Å; F185-Q189 PolarHBondContact O-N 3.43Å; Q186-Q189 WeakPolarHBondContact O-CB 3.39Å; Q186-Q189 PolarHBondContact O-N 3.47Å; Q186-Q189 VanDerWaalsContact O-N 3.13Å; L187-Q189 VanDerWaalsContact C-N 3.33Å; Q189-F191 VanDerWaalsContact C-N 3.25Å; Q189-F191 PolarHBondContact O-N 3.38Å; Q189-I192 PolarHBondContact O-N 2.83Å; Q189-E193 HydrophobicContact CG-CG 4.21Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.3Å; Q189-E193 PolarHBondContact NE2-OE1 3.44Å; Q189-E193 WeakPolarHBondContact O-CG 3.3Å; Q189-E193 PolarHBondContact O-N 3.38Å
190	D	98.3	Very high	96.4	Very high	70 Å²	70	42.4 Å²	42.4	37%	0.374	20%	0.202	S	C	.	.	H	α-helix	trans	-55.7	-41.6	176.8	-69.3	-16.2	0	0	0	111.7	V111 Q186 L187 I192 E193 I194	V111-D190 HydrophobicContact CG1-CB 4.28Å; Q186-D190 PolarHBondContact O-N 2.75Å; L187-D190 PolarHBondContact O-N 3.46Å; D190-I192 VanDerWaalsContact C-N 3.29Å; D190-I192 PolarHBondContact O-N 3.03Å; D190-E193 PolarHBondContact O-N 2.89Å; D190-I194 WeakPolarHBondContact O-CD1 3.47Å; D190-I194 VanDerWaalsContact O-CG1 3.26Å; D190-I194 WeakPolarHBondContact O-CG1 3.39Å; D190-I194 PolarHBondContact O-N 2.81Å
191	F	98.5	Very high	96	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-40.5	176.9	172.3	-85.7	0	0	0	112.3	M45 L49 Q108 V111 L112 M115 L143 L187 F188 Q189	M45-F191 HydrophobicContact CE-CE2 3.4Å; M45-F191 VanDerWaalsContact CE-CE2 3.4Å; M45-F191 HydrophobicContact CE-CZ 3.42Å; M45-F191 VanDerWaalsContact CE-CZ 3.42Å; L49-F191 HydrophobicContact CD1-CE1 4.22Å; L49-F191 HydrophobicContact CD1-CZ 4.15Å; Q108-F191 HydrophobicContact CB-CD2 3.76Å; Q108-F191 HydrophobicContact CB-CE2 3.62Å; Q108-F191 HydrophobicContact CB-CZ 4.43Å; Q108-F191 HydrophobicContact CG-CD2 4.17Å; Q108-F191 HydrophobicContact CG-CE2 4.18Å; Q108-F191 PolarHBondContact NE2-O 3.48Å; Q108-F191 WeakPolarHBondContact O-CD2 3.28Å; V111-F191 HydrophobicContact CB-CB 4.42Å; V111-F191 HydrophobicContact CG1-CB 3.91Å; L112-F191 HydrophobicContact CB-CD2 4.45Å; L112-F191 HydrophobicContact CB-CE2 4.39Å; L112-F191 HydrophobicContact CD1-CE2 4.16Å; M115-F191 HydrophobicContact CE-CB 4.17Å; M115-F191 HydrophobicContact CE-CD2 4.07Å; M115-F191 HydrophobicContact CE-CG 4.16Å; L143-F191 HydrophobicContact CD2-CZ 4.44Å; L187-F191 WeakPolarHBondContact O-CB 3.36Å; L187-F191 PolarHBondContact O-N 3.38Å; F188-F191 HydrophobicContact CD2-CD1 4.49Å; F188-F191 HydrophobicContact CE2-CD1 4.36Å; F188-F191 WeakPolarHBondContact O-CB 3.29Å; F188-F191 PolarHBondContact O-N 2.97Å; Q189-F191 VanDerWaalsContact C-N 3.25Å; Q189-F191 PolarHBondContact O-N 3.38Å
192	I	98.2	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-79.3	-36.6	177.9	-59.7	-61.1	0	0	0	111.5	T139 I152 L153 I156 F188 Q189 D190 I194 K195 A196	T139-I192 HydrophobicContact CG2-CD1 3.8Å; I152-I192 HydrophobicContact CB-CD1 4.4Å; I152-I192 HydrophobicContact CB-CG2 4.04Å; I152-I192 HydrophobicContact CD1-CD1 4.05Å; I152-I192 HydrophobicContact CG2-CB 4.45Å; I152-I192 HydrophobicContact CG2-CD1 3.73Å; I152-I192 HydrophobicContact CG2-CG1 3.68Å; I152-I192 HydrophobicContact CG2-CG2 4.01Å; L153-I192 HydrophobicContact CD2-CB 4.29Å; L153-I192 HydrophobicContact CD2-CG2 3.77Å; L153-I192 HydrophobicContact CG-CG2 3.67Å; I156-I192 HydrophobicContact CD1-CB 4.04Å; I156-I192 HydrophobicContact CD1-CG1 3.93Å; I156-I192 HydrophobicContact CD1-CG2 4.35Å; F188-I192 HydrophobicContact CE1-CG1 4.21Å; F188-I192 HydrophobicContact CE2-CD1 4.17Å; F188-I192 HydrophobicContact CE2-CG1 4.09Å; F188-I192 HydrophobicContact CZ-CD1 4.07Å; F188-I192 HydrophobicContact CZ-CG1 3.81Å; F188-I192 WeakPolarHBondContact O-CG1 3.27Å; F188-I192 PolarHBondContact O-N 2.87Å; Q189-I192 PolarHBondContact O-N 2.83Å; D190-I192 VanDerWaalsContact C-N 3.29Å; D190-I192 PolarHBondContact O-N 3.03Å; I192-I194 VanDerWaalsContact C-N 3.26Å; I192-I194 PolarHBondContact O-N 3.48Å; I192-K195 WeakPolarHBondContact O-CA 3.35Å; I192-K195 WeakPolarHBondContact O-CB 3.32Å; I192-K195 PolarHBondContact O-N 3.39Å; I192-A196 PolarHBondContact O-N 2.95Å
193	E	98	Very high	95.3	Very high	91 Å²	91	53.2 Å²	53.2	43%	0.425	26%	0.255	S	S	.	.	H	α-helix	trans	-60.9	-36.3	174.9	-73.9	-174.5	-178.5	0	0	112	L153 Q189 D190 K195 A196 G197	L153-E193 HydrophobicContact CD2-CG 4.01Å; Q189-E193 HydrophobicContact CG-CG 4.21Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.3Å; Q189-E193 PolarHBondContact NE2-OE1 3.44Å; Q189-E193 WeakPolarHBondContact O-CG 3.3Å; Q189-E193 PolarHBondContact O-N 3.38Å; D190-E193 PolarHBondContact O-N 2.89Å; E193-K195 VanDerWaalsContact C-N 3.33Å; E193-K195 PolarHBondContact O-N 3.27Å; E193-A196 PolarHBondContact O-N 2.95Å; E193-G197 PolarHBondContact O-N 3.3Å
194	I	98	Very high	95.2	Very high	41 Å²	41	50.6 Å²	50.6	21%	0.21	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-43.7	171.3	-71.3	161.4	0	0	0	111.2	M104 L107 Q108 V111 D190 I192 F198	M104-I194 HydrophobicContact CG-CG2 3.76Å; M104-I194 HydrophobicContact SD-CG2 4.36Å; L107-I194 HydrophobicContact CB-CD1 4.1Å; L107-I194 HydrophobicContact CB-CG2 4.07Å; Q108-I194 HydrophobicContact CG-CB 4.07Å; Q108-I194 HydrophobicContact CG-CG2 3.53Å; V111-I194 HydrophobicContact CG2-CD1 3.62Å; D190-I194 WeakPolarHBondContact O-CD1 3.47Å; D190-I194 VanDerWaalsContact O-CG1 3.26Å; D190-I194 WeakPolarHBondContact O-CG1 3.39Å; D190-I194 PolarHBondContact O-N 2.81Å; I192-I194 VanDerWaalsContact C-N 3.26Å; I192-I194 PolarHBondContact O-N 3.48Å; I194-F198 PolarHBondContact O-N 3.38Å; I194-F198 VanDerWaalsContact O-N 3.12Å
195	K	97.3	Very high	95.2	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-46.9	176.9	177.1	54.8	170.3	130.6	0	111.3	M104 A144 E145 N147 I192 E193 G197 F198 N199	M104-K195 HydrophobicContact CE-CD 4.06Å; M104-K195 HydrophobicContact SD-CD 4.37Å; A144-K195 WeakPolarHBondContact O-CE 3.3Å; E145-K195 PolarHBondContact O-NZ 3.37Å; N147-K195 WeakPolarHBondContact O-CE 3.29Å; N147-K195 PolarHBondContact O-NZ 2.87Å; I192-K195 WeakPolarHBondContact O-CA 3.35Å; I192-K195 WeakPolarHBondContact O-CB 3.32Å; I192-K195 PolarHBondContact O-N 3.39Å; E193-K195 VanDerWaalsContact C-N 3.33Å; E193-K195 PolarHBondContact O-N 3.27Å; K195-G197 VanDerWaalsContact C-N 3.3Å; K195-G197 PolarHBondContact O-N 3.25Å; K195-F198 PolarHBondContact O-N 3.49Å; K195-N199 WeakPolarHBondContact CE-ND2 3.25Å; K195-N199 PolarHBondContact NZ-ND2 2.95Å; K195-N199 PolarHBondContact NZ-OD1 3.19Å; K195-N199 PolarHBondContact O-N 3.23Å; K195-N199 PolarHBondContact O-ND2 2.91Å
196	A	97	Very high	95.1	Very high	6 Å²	6	56 Å²	56	5%	0.05	27%	0.27	C	S	.	.	H	α-helix	trans	-60.9	-40.2	177.9	0	0	0	0	0	111.8	D148 L153 I192 E193 N199 R200	D148-A196 WeakPolarHBondContact O-CA 3.34Å; L153-A196 HydrophobicContact CD1-CB 3.76Å; I192-A196 PolarHBondContact O-N 2.95Å; E193-A196 PolarHBondContact O-N 2.95Å; A196-N199 PolarHBondContact O-N 2.91Å; A196-R200 WeakPolarHBondContact O-CG 3.42Å; A196-R200 PolarHBondContact O-N 3.31Å; A196-R200 VanDerWaalsContact O-N 3.08Å
197	G	96.1	Very high	95	Very high	26 Å²	26	53.9 Å²	53.9	27%	0.268	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-44.2	174.8	0	0	0	0	0	112.7	E193 K195 R200 N201	E193-G197 PolarHBondContact O-N 3.3Å; K195-G197 VanDerWaalsContact C-N 3.3Å; K195-G197 PolarHBondContact O-N 3.25Å; G197-R200 PolarHBondContact O-N 3.5Å; G197-N201 PolarHBondContact O-N 3.07Å; G197-N201 PolarHBondContact O-ND2 3.28Å
198	F	95.4	Very high	94.8	Very high	18 Å²	18	55.5 Å²	55.5	8%	0.079	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-44.7	174.2	168.2	-97.3	0	0	0	112.5	Y97 E100 Y101 M104 I194 K195 R200 N201 K202	Y97-F198 HydrophobicContact CD2-CZ 4.33Å; Y97-F198 HydrophobicContact CE2-CE1 4.43Å; Y97-F198 AromaticContact CE2-CZ 3.71Å; Y97-F198 HydrophobicContact CE2-CZ 3.71Å; E100-F198 HydrophobicContact CB-CD2 4.39Å; E100-F198 HydrophobicContact CB-CE2 4.02Å; Y101-F198 HydrophobicContact CD2-CE1 4.26Å; Y101-F198 HydrophobicContact CD2-CZ 4.03Å; Y101-F198 HydrophobicContact CG-CZ 4.49Å; M104-F198 HydrophobicContact CB-CB 4.03Å; M104-F198 HydrophobicContact CB-CD2 3.98Å; M104-F198 HydrophobicContact CB-CG 4.1Å; M104-F198 HydrophobicContact CE-CD1 4.01Å; M104-F198 HydrophobicContact CE-CE1 4.36Å; M104-F198 HydrophobicContact CE-CG 4.19Å; M104-F198 HydrophobicContact CG-CB 3.55Å; M104-F198 HydrophobicContact CG-CD2 4.34Å; M104-F198 HydrophobicContact CG-CG 3.94Å; I194-F198 PolarHBondContact O-N 3.38Å; I194-F198 VanDerWaalsContact O-N 3.12Å; K195-F198 PolarHBondContact O-N 3.49Å; F198-R200 VanDerWaalsContact C-N 3.3Å; F198-R200 PolarHBondContact O-N 2.97Å; F198-N201 PolarHBondContact O-N 3.35Å; F198-N201 VanDerWaalsContact O-N 3.12Å; F198-K202 PolarHBondContact O-N 2.86Å; F198-K202 VanDerWaalsContact O-N 3.08Å
199	N	93.3	Very high	94.5	Very high	32 Å²	32	59.5 Å²	59.5	17%	0.171	29%	0.287	C	S	.	.	H	α-helix	trans	-65.2	-32.1	179.7	-70.3	-50.5	0	0	0	113.3	N147 D148 K195 A196 N201	N147-N199 PolarHBondContact O-ND2 3.37Å; D148-N199 WeakPolarHBondContact CA-ND2 3.5Å; D148-N199 HydrophobicContact CB-CB 4.45Å; D148-N199 PolarHBondContact O-ND2 3.13Å; K195-N199 WeakPolarHBondContact CE-ND2 3.25Å; K195-N199 PolarHBondContact NZ-ND2 2.95Å; K195-N199 PolarHBondContact NZ-OD1 3.19Å; K195-N199 PolarHBondContact O-N 3.23Å; K195-N199 PolarHBondContact O-ND2 2.91Å; A196-N199 PolarHBondContact O-N 2.91Å; N199-N201 VanDerWaalsContact C-N 3.26Å; N199-N201 PolarHBondContact O-N 3.32Å
200	R	91.9	Very high	94.3	Very high	201 Å²	201	59.6 Å²	59.6	76%	0.758	29%	0.288	S	S	*	.	H	α-helix	trans	-69.8	-23.9	175.1	-70.1	174.4	-169.9	175.2	5.2	113.3	A196 G197 F198	A196-R200 WeakPolarHBondContact O-CG 3.42Å; A196-R200 PolarHBondContact O-N 3.31Å; A196-R200 VanDerWaalsContact O-N 3.08Å; G197-R200 PolarHBondContact O-N 3.5Å; F198-R200 VanDerWaalsContact C-N 3.3Å; F198-R200 PolarHBondContact O-N 2.97Å
201	N	85.4	Confident	93.9	Very high	145 Å²	145	58.8 Å²	58.8	78%	0.775	28%	0.281	S	S	*	.	H	α-helix	trans	-100.7	-4.2	-177.9	-64.7	-26.1	0	0	0	113.2	G197 F198 N199	G197-N201 PolarHBondContact O-N 3.07Å; G197-N201 PolarHBondContact O-ND2 3.28Å; F198-N201 PolarHBondContact O-N 3.35Å; F198-N201 VanDerWaalsContact O-N 3.12Å; N199-N201 VanDerWaalsContact C-N 3.26Å; N199-N201 PolarHBondContact O-N 3.32Å
202	K	78	Confident	93.5	Very high	144 Å²	144	64.1 Å²	64.1	63%	0.626	31%	0.306	S	S	*	.			trans	-75.1	0	177.5	-179.7	177.7	177.5	165.9	0	111.2	Y97 F198	Y97-K202 HydrophobicContact CD2-CG 4.37Å; Y97-K202 HydrophobicContact CE2-CD 3.76Å; Y97-K202 VanDerWaalsContact CE2-CE 3.42Å; Y97-K202 HydrophobicContact CE2-CG 4.05Å; Y97-K202 PolarHBondContact OH-NZ 2.88Å; F198-K202 PolarHBondContact O-N 2.86Å; F198-K202 VanDerWaalsContact O-N 3.08Å

Retrieved 202 of 202 residues in 312.2 ms (Link to these results)

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