A0A077Z4S6_TRITR Loading...

CDK5 regulatory subunit associated protein

AlphaFold DB , UniProt , Accession A0A077Z4S6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 509 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	46.8	Very low	77.9	Confident	243 Å²	243	92.2 Å²	92.2	100%	1.197	49%	0.487	S	S	*	.				0	122.9	0	-75.8	172.1	171.8	0	0	106.6	D3	M1-D3 PolarHBondContact O-N 3.48Å
2	A	60	Low	79.2	Confident	82 Å²	82	91.3 Å²	91.3	68%	0.678	48%	0.478	S	S	*	.			trans	-59.4	132.4	170.7	0	0	0	0	0	108.1	Y4	A2-Y4 PolarHBondContact O-N 2.98Å
3	D	73.6	Confident	80.3	Confident	85 Å²	85	84.3 Å²	84.3	46%	0.455	44%	0.441	S	S	.	.			trans	-58.6	120.4	171.8	179.5	-0.8	0	0	0	107.3	M1 K5 T6	M1-D3 PolarHBondContact O-N 3.48Å; D3-K5 PolarHBondContact O-N 3.44Å; D3-K5 WeakPolarHBondContact OD1-CB 3.41Å; D3-K5 WeakPolarHBondContact OD1-CG 3.42Å; D3-K5 PolarHBondContact OD1-N 2.98Å; D3-K5 VanDerWaalsContact OD1-N 3.07Å; D3-T6 HydrophobicContact CB-CG2 4.26Å; D3-T6 PolarHBondContact O-N 2.85Å; D3-T6 PolarHBondContact O-OG1 3.17Å
4	Y	73.9	Confident	81.1	Confident	154 Å²	154	83.7 Å²	83.7	60%	0.604	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-58	-20.2	-178	71.1	-86.5	0	0	0	112.2	A2 T6 I7	A2-Y4 PolarHBondContact O-N 2.98Å; Y4-T6 PolarHBondContact O-N 3.2Å; Y4-I7 WeakPolarHBondContact O-CB 3.42Å; Y4-I7 PolarHBondContact O-N 3.5Å
5	K	72.7	Confident	82	Confident	103 Å²	103	86.3 Å²	86.3	45%	0.448	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-66.3	-18.9	172.8	-64.1	-178	177.7	-178.8	0	113.5	D3 I7 R498	D3-K5 PolarHBondContact O-N 3.44Å; D3-K5 WeakPolarHBondContact OD1-CB 3.41Å; D3-K5 WeakPolarHBondContact OD1-CG 3.42Å; D3-K5 PolarHBondContact OD1-N 2.98Å; D3-K5 VanDerWaalsContact OD1-N 3.07Å; K5-I7 VanDerWaalsContact C-N 3.32Å; K5-R498 WeakPolarHBondContact O-CG 3.01Å
6	T	77.2	Confident	82.9	Confident	99 Å²	99	80.9 Å²	80.9	61%	0.607	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-85	-6.6	174.3	66.9	0	0	0	0	113.1	D3 Y4 P8	D3-T6 HydrophobicContact CB-CG2 4.26Å; D3-T6 PolarHBondContact O-N 2.85Å; D3-T6 PolarHBondContact O-OG1 3.17Å; Y4-T6 PolarHBondContact O-N 3.2Å; T6-P8 WeakPolarHBondContact O-CD 3.16Å
7	I	84.4	Confident	83.6	Confident	92 Å²	92	77.8 Å²	77.8	47%	0.472	40%	0.397	S	S	.	.	S	Bend	trans	-80.2	120.3	-179.6	-56.1	175.2	0	0	0	109.4	Y4 K5 R498	Y4-I7 WeakPolarHBondContact O-CB 3.42Å; Y4-I7 PolarHBondContact O-N 3.5Å; K5-I7 VanDerWaalsContact C-N 3.32Å; I7-R498 PolarHBondContact O-NE 3.07Å; I7-R498 PolarHBondContact O-NH2 3.27Å
8	P	88.5	Confident	84.3	Confident	53 Å²	53	78.2 Å²	78.2	34%	0.344	40%	0.4	S	S	.	.			trans	-62.1	155.3	178.7	25.9	-33.6	0	0	0	112.2	T6 R498 Q499	T6-P8 WeakPolarHBondContact O-CD 3.16Å; P8-R498 PolarHBondContact O-NH2 3.41Å; P8-Q499 CarbonylContact C-O 3.56Å; P8-Q499 WeakPolarHBondContact CA-O 3.4Å; P8-Q499 HydrophobicContact CB-CB 4.37Å
9	I	91.8	Very high	84.9	Confident	12 Å²	12	75.7 Å²	75.7	6%	0.062	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	99.4	170.8	-58.4	175.1	0	0	0	107.2	I11 W19 Y495 R498 Q499 V500 N501	I9-I11 HydrophobicContact CG2-CD1 3.97Å; I9-I11 HydrophobicContact CG2-CG1 3.82Å; I9-W19 HydrophobicContact CG2-CH2 4.33Å; I9-W19 HydrophobicContact CG2-CZ2 3.71Å; I9-Y495 HydrophobicContact CD1-CD1 4.08Å; I9-Y495 HydrophobicContact CD1-CD2 3.73Å; I9-Y495 HydrophobicContact CD1-CE2 4.36Å; I9-Y495 HydrophobicContact CD1-CG 3.57Å; I9-R498 HydrophobicContact CD1-CB 4.23Å; I9-R498 HydrophobicContact CG1-CB 4.36Å; I9-R498 VanDerWaalsContact CG1-NH2 3.3Å; I9-Q499 PolarHBondContact N-O 3.12Å; I9-V500 HydrophobicContact CB-CG2 4.25Å; I9-V500 HydrophobicContact CD1-CG2 4.3Å; I9-V500 WeakPolarHBondContact O-CA 3.35Å; I9-N501 PolarHBondContact O-N 2.92Å
10	D	93.1	Very high	85.5	Confident	88 Å²	88	72 Å²	72	47%	0.471	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	125.8	174.5	-59.2	-30.8	0	0	0	109.7	N501 I503	D10-N501 WeakPolarHBondContact CA-O 3.45Å; D10-N501 WeakPolarHBondContact OD1-CB 3.46Å; D10-N501 PolarHBondContact OD1-ND2 3.27Å; D10-I503 HydrophobicContact CB-CD1 4.32Å
11	I	94.2	Very high	86	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.015	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.4	-177.6	-50.8	171.6	0	0	0	108.1	I9 C13 L16 W19 I491 V500 N501 I502 I503	I9-I11 HydrophobicContact CG2-CD1 3.97Å; I9-I11 HydrophobicContact CG2-CG1 3.82Å; I11-C13 PolarHBondContact O-N 3.27Å; I11-L16 HydrophobicContact CD1-CD1 4.28Å; I11-L16 HydrophobicContact CG2-CB 4.38Å; I11-L16 HydrophobicContact CG2-CD1 3.88Å; I11-W19 HydrophobicContact CD1-CD2 3.7Å; I11-W19 HydrophobicContact CD1-CE3 3.75Å; I11-W19 HydrophobicContact CD1-CG 4.37Å; I11-W19 HydrophobicContact CD1-CH2 3.83Å; I11-W19 HydrophobicContact CD1-CZ2 3.76Å; I11-W19 HydrophobicContact CD1-CZ3 3.81Å; I11-W19 HydrophobicContact CG1-CD2 4.16Å; I11-W19 HydrophobicContact CG1-CG 4.43Å; I11-W19 HydrophobicContact CG1-CZ2 4.26Å; I11-W19 HydrophobicContact CG2-CB 4.05Å; I11-W19 HydrophobicContact CG2-CD2 4.36Å; I11-W19 HydrophobicContact CG2-CG 3.94Å; I11-I491 HydrophobicContact CD1-CD1 3.77Å; I11-V500 HydrophobicContact CD1-CG1 4.29Å; I11-N501 PolarHBondContact N-O 3.14Å; I11-I502 CarbonylContact O-C 3.58Å; I11-I502 VanDerWaalsContact O-CA 3.31Å; I11-I502 WeakPolarHBondContact O-CA 3.45Å; I11-I503 PolarHBondContact O-N 3.01Å
12	H	94	Very high	88.3	Confident	82 Å²	82	62.4 Å²	62.4	38%	0.38	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	128.2	172.4	-166.5	-75.5	0	0	0	110.1	F14 K15 L16 I503	H12-F14 VanDerWaalsContact C-N 3.3Å; H12-F14 AromaticContact CE1-CD2 3.4Å; H12-F14 WeakPolarHBondContact CE1-CD2 3.35Å; H12-F14 AromaticContact CE1-CE2 3.86Å; H12-F14 AromaticContact CE1-CG 3.63Å; H12-F14 AromaticContact ND1-CG 3.84Å; H12-F14 PolarHBondContact ND1-N 2.8Å; H12-F14 PolarHBondContact O-N 2.82Å; H12-K15 HydrophobicContact CB-CB 4.46Å; H12-K15 CarbonylContact O-C 3.58Å; H12-K15 WeakPolarHBondContact O-CA 3.39Å; H12-K15 PolarHBondContact O-N 3.02Å; H12-L16 PolarHBondContact O-N 3.43Å; H12-I503 CarbonylContact C-O 3.53Å; H12-I503 WeakPolarHBondContact CA-O 3.45Å; H12-I503 HydrophobicContact CB-CG1 4.49Å
13	C	93	Very high	90	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-43.3	-53.4	179.9	173.3	0	0	0	0	112.1	I11 K15 L16 L119 T120 I502 I503	I11-C13 PolarHBondContact O-N 3.27Å; C13-K15 PolarHBondContact O-N 2.71Å; C13-L16 WeakPolarHBondContact O-CB 3.48Å; C13-L16 PolarHBondContact O-N 3.13Å; C13-L119 HydrophobicContact CB-CD2 4.4Å; C13-L119 WeakPolarHBondContact SG-CD2 3.43Å; C13-T120 PolarHBondContact O-OG1 3.12Å; C13-I502 HydrophobicContact CB-CG2 4Å; C13-I503 WeakPolarHBondContact CB-O 3.18Å; C13-I503 PolarHBondContact N-O 2.85Å
14	F	92.2	Very high	91	Very high	76 Å²	76	70.9 Å²	70.9	33%	0.333	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-70.3	-6	-177.5	-48	-20.4	0	0	0	115.2	H12 T120 A123 Q124	H12-F14 VanDerWaalsContact C-N 3.3Å; H12-F14 AromaticContact CE1-CD2 3.4Å; H12-F14 WeakPolarHBondContact CE1-CD2 3.35Å; H12-F14 AromaticContact CE1-CE2 3.86Å; H12-F14 AromaticContact CE1-CG 3.63Å; H12-F14 AromaticContact ND1-CG 3.84Å; H12-F14 PolarHBondContact ND1-N 2.8Å; H12-F14 PolarHBondContact O-N 2.82Å; F14-T120 HydrophobicContact CD1-CG2 4.35Å; F14-A123 HydrophobicContact CE1-CB 4.37Å; F14-Q124 HydrophobicContact CD1-CB 3.74Å; F14-Q124 HydrophobicContact CD1-CG 3.96Å; F14-Q124 HydrophobicContact CD2-CG 4.17Å; F14-Q124 HydrophobicContact CE1-CB 3.52Å; F14-Q124 HydrophobicContact CE1-CG 3.86Å; F14-Q124 HydrophobicContact CE2-CG 4.06Å; F14-Q124 HydrophobicContact CG-CB 4.42Å; F14-Q124 HydrophobicContact CG-CG 4.16Å; F14-Q124 HydrophobicContact CZ-CB 3.99Å; F14-Q124 HydrophobicContact CZ-CG 3.92Å
15	K	94.6	Very high	91.9	Very high	123 Å²	123	64.7 Å²	64.7	54%	0.535	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-114.4	6.6	175.2	-65.1	-59.9	-176.1	-171.2	0	112.2	H12 C13 D18 W19	H12-K15 HydrophobicContact CB-CB 4.46Å; H12-K15 CarbonylContact O-C 3.58Å; H12-K15 WeakPolarHBondContact O-CA 3.39Å; H12-K15 PolarHBondContact O-N 3.02Å; C13-K15 PolarHBondContact O-N 2.71Å; K15-D18 IonicContact NZ-OD2 2.55Å; K15-D18 PolarHBondContact O-N 3.28Å; K15-W19 WeakPolarHBondContact O-CB 3.25Å; K15-W19 PolarHBondContact O-N 2.93Å
16	L	95.4	Very high	92.9	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-49.6	-175	179	62.6	0	0	0	112.1	I11 H12 C13 W19 L20 A116 L119 I487 I491 I502	I11-L16 HydrophobicContact CD1-CD1 4.28Å; I11-L16 HydrophobicContact CG2-CB 4.38Å; I11-L16 HydrophobicContact CG2-CD1 3.88Å; H12-L16 PolarHBondContact O-N 3.43Å; C13-L16 WeakPolarHBondContact O-CB 3.48Å; C13-L16 PolarHBondContact O-N 3.13Å; L16-W19 WeakPolarHBondContact O-CB 3.45Å; L16-W19 PolarHBondContact O-N 3.12Å; L16-L20 HydrophobicContact CD1-CD1 4.37Å; L16-L20 HydrophobicContact CD1-CG 4.46Å; L16-L20 HydrophobicContact CG-CD1 4.23Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.45Å; L16-L20 PolarHBondContact O-N 3.18Å; L16-A116 HydrophobicContact CB-CB 4.46Å; L16-A116 HydrophobicContact CD2-CB 3.58Å; L16-A116 HydrophobicContact CG-CB 3.68Å; L16-L119 HydrophobicContact CD2-CD2 3.88Å; L16-I487 HydrophobicContact CD1-CG2 4.26Å; L16-I487 HydrophobicContact CD2-CD1 4.02Å; L16-I487 HydrophobicContact CD2-CG2 4.19Å; L16-I491 HydrophobicContact CD1-CD1 4.14Å; L16-I502 HydrophobicContact CD1-CD1 4.29Å; L16-I502 HydrophobicContact CD1-CG1 4.48Å; L16-I502 HydrophobicContact CD2-CD1 4.04Å
17	L	95.8	Very high	93.7	Very high	27 Å²	27	59.5 Å²	59.5	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-44.5	179.7	-176.5	59.6	0	0	0	112	W19 L20 Q21 W30 A113 A116 H117	L17-W19 VanDerWaalsContact C-N 3.29Å; L17-W19 PolarHBondContact O-N 2.85Å; L17-L20 PolarHBondContact O-N 3.25Å; L17-Q21 HydrophobicContact CD1-CG 4.41Å; L17-Q21 WeakPolarHBondContact O-CG 3.19Å; L17-Q21 PolarHBondContact O-N 3.31Å; L17-W30 HydrophobicContact CD2-CZ2 3.92Å; L17-A113 HydrophobicContact CD1-CB 3.9Å; L17-A116 HydrophobicContact CB-CB 4.45Å; L17-H117 HydrophobicContact CD2-CB 4.39Å
18	D	95.8	Very high	94.2	Very high	85 Å²	85	64.6 Å²	64.6	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-41.2	174.8	-70.1	-19.9	0	0	0	111.5	K15 Q21 S22	K15-D18 IonicContact NZ-OD2 2.55Å; K15-D18 PolarHBondContact O-N 3.28Å; D18-Q21 PolarHBondContact O-N 3.44Å; D18-S22 VanDerWaalsContact O-CB 3.27Å; D18-S22 WeakPolarHBondContact O-CB 3.4Å; D18-S22 PolarHBondContact O-N 3.01Å; D18-S22 PolarHBondContact O-OG 3.49Å
19	W	96.3	Very high	94.5	Very high	32 Å²	32	64.5 Å²	64.5	12%	0.121	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-41.7	178.4	-175.9	106.8	0	0	0	111.6	I9 I11 K15 L16 L17 S22 R23 H25 I491 Y495	I9-W19 HydrophobicContact CG2-CH2 4.33Å; I9-W19 HydrophobicContact CG2-CZ2 3.71Å; I11-W19 HydrophobicContact CD1-CD2 3.7Å; I11-W19 HydrophobicContact CD1-CE3 3.75Å; I11-W19 HydrophobicContact CD1-CG 4.37Å; I11-W19 HydrophobicContact CD1-CH2 3.83Å; I11-W19 HydrophobicContact CD1-CZ2 3.76Å; I11-W19 HydrophobicContact CD1-CZ3 3.81Å; I11-W19 HydrophobicContact CG1-CD2 4.16Å; I11-W19 HydrophobicContact CG1-CG 4.43Å; I11-W19 HydrophobicContact CG1-CZ2 4.26Å; I11-W19 HydrophobicContact CG2-CB 4.05Å; I11-W19 HydrophobicContact CG2-CD2 4.36Å; I11-W19 HydrophobicContact CG2-CG 3.94Å; K15-W19 WeakPolarHBondContact O-CB 3.25Å; K15-W19 PolarHBondContact O-N 2.93Å; L16-W19 WeakPolarHBondContact O-CB 3.45Å; L16-W19 PolarHBondContact O-N 3.12Å; L17-W19 VanDerWaalsContact C-N 3.29Å; L17-W19 PolarHBondContact O-N 2.85Å; W19-S22 WeakPolarHBondContact CA-OG 3.44Å; W19-S22 PolarHBondContact O-OG 3.19Å; W19-R23 VanDerWaalsContact CE2-NE 3.34Å; W19-R23 VanDerWaalsContact CZ2-CD 3.41Å; W19-R23 VanDerWaalsContact NE1-NH1 3.1Å; W19-R23 PolarHBondContact O-N 3.13Å; W19-H25 AromaticContact CZ3-CD2 3.6Å; W19-H25 AromaticContact CZ3-NE2 3.91Å; W19-I491 HydrophobicContact CH2-CG2 3.95Å; W19-I491 HydrophobicContact CZ3-CD1 4.19Å; W19-I491 HydrophobicContact CZ3-CG2 4.21Å; W19-Y495 AromaticContact CH2-CE2 3.84Å; W19-Y495 HydrophobicContact CH2-CE2 3.84Å
20	L	96.7	Very high	94.7	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-46.7	176.5	-71.1	168.5	0	0	0	111.3	L16 L17 R23 R24 H25 L112 A116 I491	L16-L20 HydrophobicContact CD1-CD1 4.37Å; L16-L20 HydrophobicContact CD1-CG 4.46Å; L16-L20 HydrophobicContact CG-CD1 4.23Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.45Å; L16-L20 PolarHBondContact O-N 3.18Å; L17-L20 PolarHBondContact O-N 3.25Å; L20-R23 PolarHBondContact O-N 3.22Å; L20-R24 PolarHBondContact O-N 3.3Å; L20-H25 HydrophobicContact CB-CB 4.37Å; L20-H25 HydrophobicContact CD2-CB 3.91Å; L20-H25 WeakPolarHBondContact O-CB 3.36Å; L20-H25 PolarHBondContact O-N 2.78Å; L20-L112 HydrophobicContact CD1-CD1 4.45Å; L20-L112 HydrophobicContact CD1-CD2 4.47Å; L20-L112 HydrophobicContact CD1-CG 3.88Å; L20-L112 HydrophobicContact CD2-CD2 3.6Å; L20-L112 HydrophobicContact CD2-CG 3.93Å; L20-A116 HydrophobicContact CD1-CB 3.63Å; L20-I491 HydrophobicContact CD2-CD1 4.21Å; L20-I491 HydrophobicContact CD2-CG1 4.41Å
21	Q	95.8	Very high	94.8	Very high	35 Å²	35	64 Å²	64	16%	0.164	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-42.4	-179.8	-69.7	178.2	1.9	0	0	112.5	L17 D18 R23 R24 R28	L17-Q21 HydrophobicContact CD1-CG 4.41Å; L17-Q21 WeakPolarHBondContact O-CG 3.19Å; L17-Q21 PolarHBondContact O-N 3.31Å; D18-Q21 PolarHBondContact O-N 3.44Å; Q21-R23 PolarHBondContact O-N 2.88Å; Q21-R24 PolarHBondContact O-N 3.19Å; Q21-R28 HydrophobicContact CB-CG 4.48Å; Q21-R28 HydrophobicContact CG-CG 4.45Å
22	S	95.7	Very high	94.9	Very high	80 Å²	80	69.4 Å²	69.4	56%	0.559	32%	0.315	S	S	*	.	H	α-helix	trans	-62.7	-30.2	179.3	57.5	0	0	0	0	113	D18 W19	D18-S22 VanDerWaalsContact O-CB 3.27Å; D18-S22 WeakPolarHBondContact O-CB 3.4Å; D18-S22 PolarHBondContact O-N 3.01Å; D18-S22 PolarHBondContact O-OG 3.49Å; W19-S22 WeakPolarHBondContact CA-OG 3.44Å; W19-S22 PolarHBondContact O-OG 3.19Å
23	R	94.6	Very high	95	Very high	119 Å²	119	68.2 Å²	68.2	45%	0.449	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	5	174.9	-72.8	171.2	177.2	71.7	-1.6	113.9	W19 L20 Q21 H25	W19-R23 VanDerWaalsContact CE2-NE 3.34Å; W19-R23 VanDerWaalsContact CZ2-CD 3.41Å; W19-R23 VanDerWaalsContact NE1-NH1 3.1Å; W19-R23 PolarHBondContact O-N 3.13Å; L20-R23 PolarHBondContact O-N 3.22Å; Q21-R23 PolarHBondContact O-N 2.88Å; R23-H25 PolarHBondContact O-N 2.9Å
24	R	94.5	Very high	95.1	Very high	225 Å²	225	69 Å²	69	85%	0.849	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	29.2	-178.9	-50.7	179.6	179.8	-172.8	-1	113.4	L20 Q21 C26	L20-R24 PolarHBondContact O-N 3.3Å; Q21-R24 PolarHBondContact O-N 3.19Å; R24-C26 VanDerWaalsContact C-N 3.29Å
25	H	94	Very high	95.3	Very high	24 Å²	24	68.6 Å²	68.6	11%	0.111	32%	0.323	C	S	.	.	S	Bend	trans	-71.8	-28.8	172.1	-71.8	-52.8	0	0	0	112	W19 L20 R23 S109 L112 R494 Y495	W19-H25 AromaticContact CZ3-CD2 3.6Å; W19-H25 AromaticContact CZ3-NE2 3.91Å; L20-H25 HydrophobicContact CB-CB 4.37Å; L20-H25 HydrophobicContact CD2-CB 3.91Å; L20-H25 WeakPolarHBondContact O-CB 3.36Å; L20-H25 PolarHBondContact O-N 2.78Å; R23-H25 PolarHBondContact O-N 2.9Å; H25-S109 WeakPolarHBondContact O-CB 3.41Å; H25-S109 PolarHBondContact O-OG 2.88Å; H25-L112 HydrophobicContact CB-CD2 4.49Å; H25-R494 PolarHBondContact O-NH1 3.4Å; H25-Y495 AromaticContact CE1-CE2 3.81Å; H25-Y495 AromaticContact CE1-CZ 3.86Å; H25-Y495 PolarHBondContact CE1-OH 3.17Å; H25-Y495 AromaticContact NE2-CE2 3.51Å; H25-Y495 AromaticContact NE2-CZ 3.58Å; H25-Y495 PolarHBondContact NE2-OH 3.46Å
26	C	94.1	Very high	95.3	Very high	6 Å²	6	68.7 Å²	68.7	4%	0.041	32%	0.323	C	S	.	.	S	Bend	trans	-141.6	161.7	169.4	62.8	0	0	0	0	109.8	R24 D108 A113	R24-C26 VanDerWaalsContact C-N 3.29Å; C26-D108 WeakPolarHBondContact CA-O 3.34Å; C26-A113 HydrophobicContact CB-CB 3.91Å
27	K	93.6	Very high	95.4	Very high	88 Å²	88	68.7 Å²	68.7	38%	0.383	32%	0.323	S	S	.	.			trans	-86	159.5	177.3	-62	178.1	172.6	163.2	0	111.9	D29 W30 D108	K27-D29 VanDerWaalsContact C-N 3.34Å; K27-D29 WeakPolarHBondContact CB-OD1 3.42Å; K27-W30 WeakPolarHBondContact O-CB 3.49Å; K27-W30 VanDerWaalsContact O-CD1 3.25Å; K27-W30 PolarHBondContact O-N 3.44Å; K27-D108 HydrophobicContact CD-CB 4.04Å; K27-D108 WeakPolarHBondContact CE-OD1 3.35Å; K27-D108 WeakPolarHBondContact CE-OD2 3.48Å; K27-D108 HydrophobicContact CG-CB 4.19Å; K27-D108 IonicContact NZ-OD1 2.62Å; K27-D108 PolarHBondContact NZ-OD1 2.94Å; K27-D108 VanDerWaalsContact NZ-OD1 3.09Å; K27-D108 IonicContact NZ-OD2 3.01Å; K27-D108 PolarHBondContact NZ-OD2 3.04Å
28	R	93.9	Very high	95.3	Very high	199 Å²	199	70.1 Å²	70.1	75%	0.751	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-28.6	178.8	-70	-171.6	172.1	-179.6	-1.8	113.4	Q21 W30	Q21-R28 HydrophobicContact CB-CG 4.48Å; Q21-R28 HydrophobicContact CG-CG 4.45Å; R28-W30 PolarHBondContact O-N 2.95Å
29	D	95	Very high	95.3	Very high	50 Å²	50	69.4 Å²	69.4	27%	0.267	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	14.9	177.4	61.8	-31.3	0	0	0	113.1	K27 S31 Q32 Y33	K27-D29 VanDerWaalsContact C-N 3.34Å; K27-D29 WeakPolarHBondContact CB-OD1 3.42Å; D29-S31 PolarHBondContact O-N 3.08Å; D29-S31 VanDerWaalsContact O-N 3.08Å; D29-Q32 WeakPolarHBondContact O-CB 3.43Å; D29-Q32 PolarHBondContact O-N 3.39Å; D29-Y33 HydrophobicContact CB-CE2 4.39Å; D29-Y33 VanDerWaalsContact O-CD2 3.27Å; D29-Y33 WeakPolarHBondContact O-CD2 3.46Å; D29-Y33 WeakPolarHBondContact O-CE2 3.46Å; D29-Y33 VanDerWaalsContact OD2-CE2 3.27Å; D29-Y33 WeakPolarHBondContact OD2-CE2 3.49Å; D29-Y33 PolarHBondContact OD2-OH 3.27Å
30	W	96.1	Very high	95.3	Very high	28 Å²	28	70.9 Å²	70.9	11%	0.106	34%	0.336	C	S	.	.	H	α-helix	trans	-48.9	-37.6	-179.8	66	-89.5	0	0	0	113.3	L17 K27 R28 Q32 Y33 I34 A113 E114 H117	L17-W30 HydrophobicContact CD2-CZ2 3.92Å; K27-W30 WeakPolarHBondContact O-CB 3.49Å; K27-W30 VanDerWaalsContact O-CD1 3.25Å; K27-W30 PolarHBondContact O-N 3.44Å; R28-W30 PolarHBondContact O-N 2.95Å; W30-Q32 VanDerWaalsContact C-N 3.28Å; W30-Q32 PolarHBondContact O-N 3.46Å; W30-Y33 WeakPolarHBondContact O-CB 3.22Å; W30-Y33 PolarHBondContact O-N 3.34Å; W30-Y33 VanDerWaalsContact O-N 3.07Å; W30-I34 HydrophobicContact CE3-CG1 3.8Å; W30-I34 HydrophobicContact CZ3-CG1 3.98Å; W30-I34 PolarHBondContact O-N 3.47Å; W30-I34 VanDerWaalsContact O-N 3.12Å; W30-A113 HydrophobicContact CB-CB 3.67Å; W30-A113 HydrophobicContact CD2-CB 3.66Å; W30-A113 HydrophobicContact CE3-CB 4.07Å; W30-A113 HydrophobicContact CG-CB 3.47Å; W30-A113 VanDerWaalsContact CG-CB 3.47Å; W30-E114 HydrophobicContact CZ3-CB 4.29Å; W30-H117 HydrophobicContact CH2-CB 3.78Å; W30-H117 AromaticContact CH2-CD2 3.76Å; W30-H117 AromaticContact CH2-CG 3.72Å; W30-H117 HydrophobicContact CZ2-CB 4.11Å
31	S	95.1	Very high	95.1	Very high	61 Å²	61	71.4 Å²	71.4	43%	0.427	34%	0.339	S	S	.	.	H	α-helix	trans	-63.2	-30.7	-178.6	57.3	0	0	0	0	113.3	D29 Y33 I34 A35	D29-S31 PolarHBondContact O-N 3.08Å; D29-S31 VanDerWaalsContact O-N 3.08Å; S31-Y33 VanDerWaalsContact C-N 3.29Å; S31-Y33 PolarHBondContact O-N 3.27Å; S31-I34 PolarHBondContact O-N 2.95Å; S31-A35 PolarHBondContact O-N 3.39Å
32	Q	96.3	Very high	95	Very high	118 Å²	118	73 Å²	73	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-68.5	-30.7	175.8	-60.2	-176.6	15.5	0	0	112	D29 W30 K36	D29-Q32 WeakPolarHBondContact O-CB 3.43Å; D29-Q32 PolarHBondContact O-N 3.39Å; W30-Q32 VanDerWaalsContact C-N 3.28Å; W30-Q32 PolarHBondContact O-N 3.46Å; Q32-K36 WeakPolarHBondContact O-CG 3.36Å
33	Y	96.1	Very high	94.9	Very high	57 Å²	57	73.2 Å²	73.2	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-76.4	-39.8	175.2	-57.3	-83.5	0	0	0	110.6	D29 W30 S31 A35 K36 I37 V110	D29-Y33 HydrophobicContact CB-CE2 4.39Å; D29-Y33 VanDerWaalsContact O-CD2 3.27Å; D29-Y33 WeakPolarHBondContact O-CD2 3.46Å; D29-Y33 WeakPolarHBondContact O-CE2 3.46Å; D29-Y33 VanDerWaalsContact OD2-CE2 3.27Å; D29-Y33 WeakPolarHBondContact OD2-CE2 3.49Å; D29-Y33 PolarHBondContact OD2-OH 3.27Å; W30-Y33 WeakPolarHBondContact O-CB 3.22Å; W30-Y33 PolarHBondContact O-N 3.34Å; W30-Y33 VanDerWaalsContact O-N 3.07Å; S31-Y33 VanDerWaalsContact C-N 3.29Å; S31-Y33 PolarHBondContact O-N 3.27Å; Y33-A35 VanDerWaalsContact C-N 3.31Å; Y33-A35 PolarHBondContact O-N 2.96Å; Y33-K36 WeakPolarHBondContact O-CB 3.43Å; Y33-K36 PolarHBondContact O-N 3.03Å; Y33-I37 VanDerWaalsContact O-CG1 3.28Å; Y33-I37 WeakPolarHBondContact O-CG1 3.4Å; Y33-I37 PolarHBondContact O-N 2.74Å; Y33-V110 HydrophobicContact CD2-CG2 4.04Å; Y33-V110 HydrophobicContact CG-CG2 4.03Å
34	I	95.6	Very high	94.8	Very high	17 Å²	17	67.8 Å²	67.8	9%	0.087	33%	0.329	C	S	.	.	H	α-helix	trans	-56.9	-45.2	172.1	-67.1	-54.8	0	0	0	111.5	W30 S31 K36 I37 R38 Y105 V110 E114	W30-I34 HydrophobicContact CE3-CG1 3.8Å; W30-I34 HydrophobicContact CZ3-CG1 3.98Å; W30-I34 PolarHBondContact O-N 3.47Å; W30-I34 VanDerWaalsContact O-N 3.12Å; S31-I34 PolarHBondContact O-N 2.95Å; I34-K36 PolarHBondContact O-N 2.77Å; I34-K36 VanDerWaalsContact O-N 3.1Å; I34-I37 HydrophobicContact CD1-CD1 4.42Å; I34-I37 PolarHBondContact O-N 2.98Å; I34-R38 HydrophobicContact CG2-CG 3.84Å; I34-R38 WeakPolarHBondContact O-CG 3.46Å; I34-R38 PolarHBondContact O-N 2.91Å; I34-Y105 HydrophobicContact CD1-CD1 4.13Å; I34-Y105 HydrophobicContact CD1-CE1 3.42Å; I34-Y105 VanDerWaalsContact CD1-CE1 3.42Å; I34-V110 HydrophobicContact CD1-CG1 3.36Å; I34-V110 HydrophobicContact CG1-CG1 3.71Å; I34-E114 HydrophobicContact CD1-CB 3.83Å; I34-E114 VanDerWaalsContact CD1-CD 3.45Å; I34-E114 HydrophobicContact CD1-CG 4.2Å; I34-E114 WeakPolarHBondContact CD1-OE1 3.35Å; I34-E114 HydrophobicContact CG1-CB 4.13Å; I34-E114 WeakPolarHBondContact CG2-OE1 3.21Å
35	A	95.2	Very high	94.5	Very high	67 Å²	67	59.5 Å²	59.5	55%	0.554	30%	0.301	S	S	*	.	H	α-helix	trans	-58.2	-26.1	177.1	0	0	0	0	0	113.7	S31 Y33 P39	S31-A35 PolarHBondContact O-N 3.39Å; Y33-A35 VanDerWaalsContact C-N 3.31Å; Y33-A35 PolarHBondContact O-N 2.96Å; A35-P39 WeakPolarHBondContact O-CD 3.33Å
36	K	95.9	Very high	94.3	Very high	125 Å²	125	65.8 Å²	65.8	54%	0.543	33%	0.328	S	S	.	.	H	α-helix	trans	-86.3	-34.4	175.2	-65.3	171.7	-175.1	175.3	0	112.7	Q32 Y33 I34	Q32-K36 WeakPolarHBondContact O-CG 3.36Å; Y33-K36 WeakPolarHBondContact O-CB 3.43Å; Y33-K36 PolarHBondContact O-N 3.03Å; I34-K36 PolarHBondContact O-N 2.77Å; I34-K36 VanDerWaalsContact O-N 3.1Å
37	I	96.5	Very high	93.9	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-73.7	-36.3	-179.2	-66.9	163.5	0	0	0	111	Y33 I34 L40 I41 I101 Q104 Y105 V110	Y33-I37 VanDerWaalsContact O-CG1 3.28Å; Y33-I37 WeakPolarHBondContact O-CG1 3.4Å; Y33-I37 PolarHBondContact O-N 2.74Å; I34-I37 HydrophobicContact CD1-CD1 4.42Å; I34-I37 PolarHBondContact O-N 2.98Å; I37-L40 WeakPolarHBondContact O-CB 3.46Å; I37-L40 PolarHBondContact O-N 2.87Å; I37-L40 VanDerWaalsContact O-N 3.08Å; I37-I41 HydrophobicContact CG2-CD1 3.89Å; I37-I41 HydrophobicContact CG2-CG1 4.11Å; I37-I41 PolarHBondContact O-N 3.49Å; I37-I101 HydrophobicContact CG2-CG2 4.16Å; I37-Q104 HydrophobicContact CD1-CB 3.97Å; I37-Q104 HydrophobicContact CG1-CB 3.82Å; I37-Y105 HydrophobicContact CD1-CD1 3.99Å; I37-Y105 HydrophobicContact CD1-CD2 4.49Å; I37-Y105 HydrophobicContact CD1-CE1 4.31Å; I37-Y105 HydrophobicContact CD1-CG 4.09Å; I37-Y105 HydrophobicContact CG2-CD2 3.81Å; I37-Y105 HydrophobicContact CG2-CE1 4.35Å; I37-Y105 HydrophobicContact CG2-CE2 3.4Å; I37-Y105 VanDerWaalsContact CG2-CE2 3.4Å; I37-Y105 HydrophobicContact CG2-CG 4.45Å; I37-V110 HydrophobicContact CD1-CG1 4.27Å
38	R	94.9	Very high	93.4	Very high	57 Å²	57	66.4 Å²	66.4	22%	0.215	33%	0.334	C	S	.	.	H	α-helix	trans	-57.7	-47.6	-176.2	-71	-73.8	173.6	-161.3	3.3	114.2	I34 L40 I41 S42 L63 V64 E114	I34-R38 HydrophobicContact CG2-CG 3.84Å; I34-R38 WeakPolarHBondContact O-CG 3.46Å; I34-R38 PolarHBondContact O-N 2.91Å; R38-L40 VanDerWaalsContact C-N 3.31Å; R38-L40 PolarHBondContact O-N 2.9Å; R38-I41 PolarHBondContact O-N 3.22Å; R38-S42 PolarHBondContact O-N 3.05Å; R38-S42 VanDerWaalsContact O-N 3.1Å; R38-L63 VanDerWaalsContact NH1-CD1 3.29Å; R38-V64 PolarHBondContact NH1-O 2.53Å; R38-E114 IonicContact CZ-OE1 2.74Å; R38-E114 IonicContact NE-OE1 3.98Å; R38-E114 PolarHBondContact NE-OE1 2.98Å; R38-E114 IonicContact NH2-OE1 2.82Å; R38-E114 PolarHBondContact NH2-OE1 2.96Å; R38-E114 IonicContact NH2-OE2 3.58Å; R38-E114 PolarHBondContact NH2-OE2 3.17Å
39	P	95.1	Very high	92.5	Very high	69 Å²	69	58.9 Å²	58.9	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-59.9	-38.7	173	-25.3	34.7	0	0	0	113.2	A35 I41 S42 D43	A35-P39 WeakPolarHBondContact O-CD 3.33Å; P39-I41 PolarHBondContact O-N 2.77Å; P39-S42 WeakPolarHBondContact O-CB 3.49Å; P39-S42 PolarHBondContact O-N 2.96Å; P39-S42 VanDerWaalsContact O-N 3.13Å; P39-D43 PolarHBondContact O-N 3.1Å
40	L	95.8	Very high	91.6	Very high	64 Å²	64	66.3 Å²	66.3	34%	0.335	34%	0.344	S	S	.	.	H	α-helix	trans	-64.3	-40.7	178.9	-60.5	174.8	0	0	0	111.9	I37 R38 S42 D43 A44 I101	I37-L40 WeakPolarHBondContact O-CB 3.46Å; I37-L40 PolarHBondContact O-N 2.87Å; I37-L40 VanDerWaalsContact O-N 3.08Å; R38-L40 VanDerWaalsContact C-N 3.31Å; R38-L40 PolarHBondContact O-N 2.9Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-D43 PolarHBondContact O-N 2.87Å; L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.47Å; L40-A44 PolarHBondContact O-N 3.17Å; L40-I101 HydrophobicContact CB-CD1 4.25Å; L40-I101 HydrophobicContact CB-CG1 3.92Å
41	I	94.3	Very high	90.7	Very high	10 Å²	10	66.3 Å²	66.3	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-60.3	-45.7	172.4	-63.6	170.2	0	0	0	110	I37 R38 P39 D43 A44 M45 V64 W98 I101 Y105	I37-I41 HydrophobicContact CG2-CD1 3.89Å; I37-I41 HydrophobicContact CG2-CG1 4.11Å; I37-I41 PolarHBondContact O-N 3.49Å; R38-I41 PolarHBondContact O-N 3.22Å; P39-I41 PolarHBondContact O-N 2.77Å; I41-D43 VanDerWaalsContact C-N 3.34Å; I41-D43 PolarHBondContact O-N 3.22Å; I41-A44 PolarHBondContact O-N 3.19Å; I41-M45 HydrophobicContact CG2-CE 3.56Å; I41-M45 WeakPolarHBondContact O-CB 3.43Å; I41-M45 PolarHBondContact O-N 3.43Å; I41-V64 HydrophobicContact CG2-CB 4.22Å; I41-V64 HydrophobicContact CG2-CG1 4.14Å; I41-W98 HydrophobicContact CG2-CH2 4.42Å; I41-I101 HydrophobicContact CG1-CD1 4.26Å; I41-I101 HydrophobicContact CG1-CG2 3.95Å; I41-Y105 HydrophobicContact CD1-CE2 3.88Å
42	S	92.8	Very high	90.2	Very high	68 Å²	68	70 Å²	70	48%	0.476	36%	0.361	S	S	.	.	H	α-helix	trans	-61.8	-41.1	179.9	-176.4	0	0	0	0	112.3	R38 P39 L40	R38-S42 PolarHBondContact O-N 3.05Å; R38-S42 VanDerWaalsContact O-N 3.1Å; P39-S42 WeakPolarHBondContact O-CB 3.49Å; P39-S42 PolarHBondContact O-N 2.96Å; P39-S42 VanDerWaalsContact O-N 3.13Å; L40-S42 VanDerWaalsContact C-N 3.32Å
43	D	93.7	Very high	89.7	Confident	86 Å²	86	67.7 Å²	67.7	46%	0.46	36%	0.358	S	S	.	.	H	α-helix	trans	-70.4	-44.2	177.4	-72.1	-27.2	0	0	0	111.9	P39 L40 I41 M45 K46	P39-D43 PolarHBondContact O-N 3.1Å; L40-D43 PolarHBondContact O-N 2.87Å; I41-D43 VanDerWaalsContact C-N 3.34Å; I41-D43 PolarHBondContact O-N 3.22Å; D43-M45 PolarHBondContact O-N 3.39Å; D43-K46 WeakPolarHBondContact O-CB 3.27Å; D43-K46 PolarHBondContact O-N 2.82Å; D43-K46 VanDerWaalsContact O-N 3.12Å; D43-K46 IonicContact OD1-NZ 3.99Å; D43-K46 PolarHBondContact OD1-NZ 3.33Å
44	A	91.6	Very high	89.1	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.033	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-29	176.3	0	0	0	0	0	112.7	L40 I41 K46 D47 D97 W98 I101	L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.47Å; L40-A44 PolarHBondContact O-N 3.17Å; I41-A44 PolarHBondContact O-N 3.19Å; A44-K46 VanDerWaalsContact C-N 3.29Å; A44-K46 PolarHBondContact O-N 3.29Å; A44-D47 PolarHBondContact O-N 3.34Å; A44-D97 HydrophobicContact CB-CB 4.32Å; A44-W98 HydrophobicContact CB-CD2 4.48Å; A44-W98 HydrophobicContact CB-CZ2 4.12Å; A44-I101 HydrophobicContact CB-CD1 3.71Å
45	M	89.1	Confident	88.6	Confident	51 Å²	51	67 Å²	67	25%	0.251	37%	0.366	S	S	.	.	H	α-helix	trans	-68.6	-27	176.3	-143.4	63	58.6	0	0	113.1	I41 D43 D47 M48 L58 V64 W98	I41-M45 HydrophobicContact CG2-CE 3.56Å; I41-M45 WeakPolarHBondContact O-CB 3.43Å; I41-M45 PolarHBondContact O-N 3.43Å; D43-M45 PolarHBondContact O-N 3.39Å; M45-D47 PolarHBondContact O-N 3.37Å; M45-M48 VanDerWaalsContact O-CB 3.25Å; M45-M48 WeakPolarHBondContact O-CB 3.44Å; M45-M48 PolarHBondContact O-N 3.02Å; M45-M48 HydrophobicContact SD-CE 3.42Å; M45-M48 WeakPolarHBondContact SD-CE 3.49Å; M45-L58 HydrophobicContact SD-CD1 4.19Å; M45-V64 HydrophobicContact CE-CB 4.5Å; M45-V64 HydrophobicContact CE-CG1 4.22Å; M45-V64 HydrophobicContact CE-CG2 4.13Å; M45-W98 HydrophobicContact CE-CH2 3.36Å; M45-W98 HydrophobicContact CE-CZ2 3.58Å; M45-W98 HydrophobicContact SD-CH2 4.17Å; M45-W98 HydrophobicContact SD-CZ2 3.88Å
46	K	88.9	Confident	88.3	Confident	156 Å²	156	68.1 Å²	68.1	68%	0.678	37%	0.366	S	S	*	.	H	α-helix	trans	-69.4	-25.6	177.9	-63.5	167	-170.9	161.7	0	112.3	D43 A44	D43-K46 WeakPolarHBondContact O-CB 3.27Å; D43-K46 PolarHBondContact O-N 2.82Å; D43-K46 VanDerWaalsContact O-N 3.12Å; D43-K46 IonicContact OD1-NZ 3.99Å; D43-K46 PolarHBondContact OD1-NZ 3.33Å; A44-K46 VanDerWaalsContact C-N 3.29Å; A44-K46 PolarHBondContact O-N 3.29Å
47	D	86.2	Confident	87.8	Confident	69 Å²	69	63.7 Å²	63.7	37%	0.369	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	13.7	177.1	-169.3	30.8	0	0	0	112.2	A44 M45 R94	A44-D47 PolarHBondContact O-N 3.34Å; M45-D47 PolarHBondContact O-N 3.37Å; D47-R94 VanDerWaalsContact O-CZ 3.24Å; D47-R94 PolarHBondContact O-NE 3.32Å; D47-R94 PolarHBondContact O-NH2 2.88Å; D47-R94 IonicContact OD1-NH2 3.57Å; D47-R94 WeakPolarHBondContact OD2-CB 3.49Å; D47-R94 IonicContact OD2-NE 3.55Å
48	M	82.8	Confident	87.2	Confident	39 Å²	39	65.9 Å²	65.9	19%	0.192	36%	0.36	C	S	.	.			trans	-70.8	129.9	180	-166.7	66.3	73.4	0	0	111	M45 I54 I72 W98	M45-M48 VanDerWaalsContact O-CB 3.25Å; M45-M48 WeakPolarHBondContact O-CB 3.44Å; M45-M48 PolarHBondContact O-N 3.02Å; M45-M48 HydrophobicContact SD-CE 3.42Å; M45-M48 WeakPolarHBondContact SD-CE 3.49Å; M48-I54 HydrophobicContact CE-CG2 4.26Å; M48-I54 HydrophobicContact CG-CG2 4.16Å; M48-I54 HydrophobicContact SD-CD1 3.65Å; M48-I54 HydrophobicContact SD-CG2 3.98Å; M48-I72 HydrophobicContact CE-CD1 4.07Å; M48-I72 HydrophobicContact CE-CG2 3.91Å; M48-I72 HydrophobicContact SD-CG2 4.37Å; M48-W98 HydrophobicContact CE-CH2 4.27Å; M48-W98 HydrophobicContact CE-CZ2 3.31Å
49	P	75.4	Confident	86.5	Confident	40 Å²	40	67.5 Å²	67.5	26%	0.26	38%	0.38	S	S	.	.			trans	-74.9	157.8	174.9	33.1	-32.2	0	0	0	110.8	N51	P49-N51 PolarHBondContact O-N 3.26Å; P49-N51 VanDerWaalsContact O-N 3.08Å
50	E	75.7	Confident	85.5	Confident	206 Å²	206	68.4 Å²	68.4	96%	0.963	38%	0.381	S	S	*	.			trans	-61.4	112.8	167.3	-68.9	179.9	-177	0	0	109.2
51	N	78.7	Confident	84.6	Confident	29 Å²	29	66.6 Å²	66.6	16%	0.155	37%	0.373	C	S	.	.			trans	-147.6	115.2	178.8	-179.5	-46.4	0	0	0	108.8	P49 S53 I54 A55	P49-N51 PolarHBondContact O-N 3.26Å; P49-N51 VanDerWaalsContact O-N 3.08Å; N51-S53 VanDerWaalsContact C-N 3.27Å; N51-S53 PolarHBondContact O-N 3.35Å; N51-S53 WeakPolarHBondContact OD1-CA 3.41Å; N51-S53 VanDerWaalsContact OD1-CB 3.25Å; N51-S53 WeakPolarHBondContact OD1-CB 3.32Å; N51-S53 PolarHBondContact OD1-N 2.84Å; N51-I54 HydrophobicContact CB-CB 4.07Å; N51-I54 HydrophobicContact CB-CD1 3.91Å; N51-I54 HydrophobicContact CB-CG1 3.94Å; N51-I54 PolarHBondContact O-N 3.05Å; N51-I54 VanDerWaalsContact O-N 3.08Å; N51-I54 PolarHBondContact OD1-N 3.06Å; N51-I54 VanDerWaalsContact OD1-N 3.11Å; N51-A55 PolarHBondContact O-N 2.92Å
52	D	84.1	Confident	83.8	Confident	138 Å²	138	70.5 Å²	70.5	74%	0.738	40%	0.398	S	S	*	.	H	α-helix	trans	-60	-35.5	-176.4	-64	-25.9	0	0	0	112.8	A55 T56	D52-A55 PolarHBondContact O-N 3.2Å; D52-T56 WeakPolarHBondContact O-CB 3.42Å; D52-T56 PolarHBondContact O-N 3.49Å; D52-T56 PolarHBondContact O-OG1 3.41Å
53	S	85.7	Confident	83.5	Confident	70 Å²	70	70.8 Å²	70.8	49%	0.49	40%	0.395	S	S	.	.	H	α-helix	trans	-67	-38.8	176.8	-56.9	0	0	0	0	111.7	N51 L57	N51-S53 VanDerWaalsContact C-N 3.27Å; N51-S53 PolarHBondContact O-N 3.35Å; N51-S53 WeakPolarHBondContact OD1-CA 3.41Å; N51-S53 VanDerWaalsContact OD1-CB 3.25Å; N51-S53 WeakPolarHBondContact OD1-CB 3.32Å; N51-S53 PolarHBondContact OD1-N 2.84Å; S53-L57 WeakPolarHBondContact O-CB 3.48Å; S53-L57 PolarHBondContact O-N 3.35Å
54	I	83.8	Confident	83.3	Confident	3 Å²	3	67.8 Å²	67.8	2%	0.015	38%	0.379	C	S	.	.	H	α-helix	trans	-70.6	-43.9	174.8	-61.3	179.9	0	0	0	110	M48 N51 T56 L57 L58 I72 L75	M48-I54 HydrophobicContact CE-CG2 4.26Å; M48-I54 HydrophobicContact CG-CG2 4.16Å; M48-I54 HydrophobicContact SD-CD1 3.65Å; M48-I54 HydrophobicContact SD-CG2 3.98Å; N51-I54 HydrophobicContact CB-CB 4.07Å; N51-I54 HydrophobicContact CB-CD1 3.91Å; N51-I54 HydrophobicContact CB-CG1 3.94Å; N51-I54 PolarHBondContact O-N 3.05Å; N51-I54 VanDerWaalsContact O-N 3.08Å; N51-I54 PolarHBondContact OD1-N 3.06Å; N51-I54 VanDerWaalsContact OD1-N 3.11Å; I54-T56 VanDerWaalsContact C-N 3.28Å; I54-T56 PolarHBondContact O-N 3.22Å; I54-L57 WeakPolarHBondContact O-CB 3.43Å; I54-L57 PolarHBondContact O-N 3.36Å; I54-L57 VanDerWaalsContact O-N 3.16Å; I54-L58 HydrophobicContact CG2-CD1 3.79Å; I54-L58 HydrophobicContact CG2-CG 4.21Å; I54-L58 WeakPolarHBondContact O-CB 3.36Å; I54-L58 VanDerWaalsContact O-CG 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 3.24Å; I54-I72 HydrophobicContact CG2-CG1 4.45Å; I54-L75 HydrophobicContact CG1-CB 4.41Å; I54-L75 HydrophobicContact CG1-CD1 3.72Å
55	A	85.2	Confident	83.3	Confident	56 Å²	56	67.9 Å²	67.9	46%	0.463	38%	0.379	S	S	.	.	H	α-helix	trans	-57.6	-43.2	176.6	0	0	0	0	0	111.4	N51 D52 L58 S59	N51-A55 PolarHBondContact O-N 2.92Å; D52-A55 PolarHBondContact O-N 3.2Å; A55-L58 PolarHBondContact O-N 3.47Å; A55-S59 WeakPolarHBondContact O-CB 3.48Å; A55-S59 PolarHBondContact O-N 3.03Å
56	T	87.3	Confident	83.6	Confident	90 Å²	90	66.8 Å²	66.8	55%	0.552	37%	0.373	S	S	*	.	H	α-helix	trans	-66.4	-39.4	176.3	-55.1	0	0	0	0	112.4	D52 I54 L58 S59	D52-T56 WeakPolarHBondContact O-CB 3.42Å; D52-T56 PolarHBondContact O-N 3.49Å; D52-T56 PolarHBondContact O-OG1 3.41Å; I54-T56 VanDerWaalsContact C-N 3.28Å; I54-T56 PolarHBondContact O-N 3.22Å; T56-L58 VanDerWaalsContact C-N 3.29Å; T56-L58 PolarHBondContact O-N 3.45Å; T56-S59 PolarHBondContact O-OG 2.94Å
57	L	85.4	Confident	83.8	Confident	32 Å²	32	60.4 Å²	60.4	17%	0.168	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-39.8	175.2	175.8	66.3	0	0	0	111.6	S53 I54 T61 K71 I72	S53-L57 WeakPolarHBondContact O-CB 3.48Å; S53-L57 PolarHBondContact O-N 3.35Å; I54-L57 WeakPolarHBondContact O-CB 3.43Å; I54-L57 PolarHBondContact O-N 3.36Å; I54-L57 VanDerWaalsContact O-N 3.16Å; L57-T61 PolarHBondContact O-OG1 2.91Å; L57-T61 VanDerWaalsContact O-OG1 3.04Å; L57-K71 HydrophobicContact CD1-CB 4.44Å; L57-K71 HydrophobicContact CD1-CD 3.83Å; L57-K71 HydrophobicContact CD2-CB 3.72Å; L57-I72 HydrophobicContact CD2-CG1 3.94Å
58	L	85.3	Confident	84	Confident	46 Å²	46	57.3 Å²	57.3	24%	0.241	33%	0.328	C	S	.	.	H	α-helix	trans	-82.5	-27.9	-176.6	-64.7	179.6	0	0	0	113	M45 I54 A55 T56 D60 T61 V64 I72	M45-L58 HydrophobicContact SD-CD1 4.19Å; I54-L58 HydrophobicContact CG2-CD1 3.79Å; I54-L58 HydrophobicContact CG2-CG 4.21Å; I54-L58 WeakPolarHBondContact O-CB 3.36Å; I54-L58 VanDerWaalsContact O-CG 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 3.24Å; A55-L58 PolarHBondContact O-N 3.47Å; T56-L58 VanDerWaalsContact C-N 3.29Å; T56-L58 PolarHBondContact O-N 3.45Å; L58-D60 PolarHBondContact O-N 3.33Å; L58-T61 PolarHBondContact O-N 2.84Å; L58-T61 VanDerWaalsContact O-N 3.16Å; L58-V64 HydrophobicContact CD2-CG2 3.57Å; L58-I72 HydrophobicContact CD2-CD1 4.46Å
59	S	80.6	Confident	84.5	Confident	92 Å²	92	55.5 Å²	55.5	64%	0.643	32%	0.319	S	S	*	.	H	α-helix	trans	-62.5	-29.2	-179	62.7	0	0	0	0	113.4	A55 T56	A55-S59 WeakPolarHBondContact O-CB 3.48Å; A55-S59 PolarHBondContact O-N 3.03Å; T56-S59 PolarHBondContact O-OG 2.94Å
60	D	73.4	Confident	85.4	Confident	87 Å²	87	54.8 Å²	54.8	47%	0.465	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-0	-179.4	-91.9	-21.9	0	0	0	114	L58 R478	L58-D60 PolarHBondContact O-N 3.33Å; D60-R478 VanDerWaalsContact CG-NH2 3.25Å; D60-R478 IonicContact OD1-CZ 2.61Å; D60-R478 IonicContact OD1-NH1 3.8Å; D60-R478 PolarHBondContact OD1-NH1 3.2Å; D60-R478 IonicContact OD1-NH2 3.95Å; D60-R478 PolarHBondContact OD1-NH2 3.45Å; D60-R478 IonicContact OD2-CZ 2.7Å; D60-R478 IonicContact OD2-NH1 2.83Å; D60-R478 PolarHBondContact OD2-NH1 2.99Å; D60-R478 IonicContact OD2-NH2 3.53Å
61	T	75.8	Confident	86.2	Confident	27 Å²	27	48.6 Å²	48.6	17%	0.166	29%	0.287	C	S	.	.			trans	-123.3	112.6	-169	-52.4	0	0	0	0	112	L57 L58 L63 E68	L57-T61 PolarHBondContact O-OG1 2.91Å; L57-T61 VanDerWaalsContact O-OG1 3.04Å; L58-T61 PolarHBondContact O-N 2.84Å; L58-T61 VanDerWaalsContact O-N 3.16Å; T61-L63 VanDerWaalsContact C-N 3.27Å; T61-L63 WeakPolarHBondContact CG2-O 3.47Å; T61-L63 PolarHBondContact O-N 3.4Å; T61-E68 HydrophobicContact CG2-CG 3.93Å
62	P	78.3	Confident	86.8	Confident	91 Å²	91	47.2 Å²	47.2	59%	0.591	28%	0.279	S	S	*	.	S	Bend	trans	-70.4	-23.5	-180	28	-34.4	0	0	0	113.3	I479	P62-I479 HydrophobicContact CG-CD1 3.7Å
63	L	85.5	Confident	87.1	Confident	75 Å²	75	40.9 Å²	40.9	39%	0.393	25%	0.246	S	C	.	.	S	Bend	trans	-141.8	117.7	-177	-176.4	63.9	0	0	0	110.5	R38 T61 T65 I118	R38-L63 VanDerWaalsContact NH1-CD1 3.29Å; T61-L63 VanDerWaalsContact C-N 3.27Å; T61-L63 WeakPolarHBondContact CG2-O 3.47Å; T61-L63 PolarHBondContact O-N 3.4Å; L63-T65 PolarHBondContact O-N 2.8Å; L63-T65 VanDerWaalsContact O-N 3.15Å; L63-I118 HydrophobicContact CD2-CD1 3.89Å
64	V	89.9	Confident	87.4	Confident	22 Å²	22	42.4 Å²	42.4	13%	0.133	25%	0.245	C	C	.	.			trans	-68.7	110.5	175.8	-177.8	0	0	0	0	109	R38 I41 M45 L58 E68 I72	R38-V64 PolarHBondContact NH1-O 2.53Å; I41-V64 HydrophobicContact CG2-CB 4.22Å; I41-V64 HydrophobicContact CG2-CG1 4.14Å; M45-V64 HydrophobicContact CE-CB 4.5Å; M45-V64 HydrophobicContact CE-CG1 4.22Å; M45-V64 HydrophobicContact CE-CG2 4.13Å; L58-V64 HydrophobicContact CD2-CG2 3.57Å; V64-E68 HydrophobicContact CG1-CB 3.78Å; V64-I72 HydrophobicContact CG1-CD1 4.47Å
65	T	91.8	Very high	87.6	Confident	6 Å²	6	44 Å²	44	4%	0.037	25%	0.253	C	S	.	.			trans	-102.8	-179.5	175.2	73.4	0	0	0	0	110.4	L63 F67 E68 C69 I118	L63-T65 PolarHBondContact O-N 2.8Å; L63-T65 VanDerWaalsContact O-N 3.15Å; T65-F67 PolarHBondContact O-N 2.97Å; T65-F67 VanDerWaalsContact O-N 3.16Å; T65-F67 PolarHBondContact OG1-N 3.33Å; T65-E68 WeakPolarHBondContact CA-OE2 3.17Å; T65-E68 WeakPolarHBondContact CB-OE2 3.09Å; T65-E68 PolarHBondContact N-OE2 2.74Å; T65-E68 PolarHBondContact O-N 3.01Å; T65-E68 VanDerWaalsContact O-N 3.12Å; T65-E68 PolarHBondContact OG1-OE2 2.86Å; T65-C69 PolarHBondContact O-N 3.02Å; T65-C69 PolarHBondContact O-SG 3.07Å; T65-I118 HydrophobicContact CG2-CD1 3.71Å
66	Y	95.3	Very high	87.6	Confident	29 Å²	29	41.3 Å²	41.3	11%	0.114	23%	0.231	C	C	.	.	H	α-helix	trans	-47.1	-41.1	173	168.2	-100.8	0	0	0	113.9	E68 C69 A70 L102 Y105 E106 Y111	Y66-E68 VanDerWaalsContact C-N 3.33Å; Y66-E68 PolarHBondContact O-N 2.95Å; Y66-C69 WeakPolarHBondContact O-CB 3.49Å; Y66-C69 PolarHBondContact O-N 3.16Å; Y66-A70 WeakPolarHBondContact O-CB 3.34Å; Y66-A70 PolarHBondContact O-N 3.47Å; Y66-L102 HydrophobicContact CD2-CD2 3.77Å; Y66-L102 HydrophobicContact CE2-CD2 3.73Å; Y66-Y105 HydrophobicContact CD2-CD2 4.23Å; Y66-Y105 AromaticContact CD2-CG 3.97Å; Y66-Y105 HydrophobicContact CD2-CG 3.97Å; Y66-Y105 HydrophobicContact CG-CG 4.39Å; Y66-E106 HydrophobicContact CE2-CG 3.85Å; Y66-Y111 AromaticContact CD1-CD2 3.46Å; Y66-Y111 HydrophobicContact CD1-CD2 3.46Å; Y66-Y111 VanDerWaalsContact CD1-CD2 3.46Å; Y66-Y111 HydrophobicContact CD1-CE2 4.19Å; Y66-Y111 AromaticContact CD1-CG 3.65Å; Y66-Y111 HydrophobicContact CD1-CG 3.65Å; Y66-Y111 HydrophobicContact CD2-CD1 4.5Å; Y66-Y111 HydrophobicContact CD2-CG 4.16Å; Y66-Y111 AromaticContact CE1-CD2 3.67Å; Y66-Y111 HydrophobicContact CE1-CD2 3.67Å; Y66-Y111 AromaticContact CE1-CE2 3.93Å; Y66-Y111 HydrophobicContact CE1-CE2 3.93Å; Y66-Y111 AromaticContact CE1-CG 3.98Å; Y66-Y111 HydrophobicContact CE1-CG 3.98Å; Y66-Y111 HydrophobicContact CE2-CD1 4.48Å; Y66-Y111 HydrophobicContact CE2-CG 4.44Å; Y66-Y111 HydrophobicContact CG-CD1 4.5Å; Y66-Y111 HydrophobicContact CG-CD2 4.05Å; Y66-Y111 AromaticContact CG-CG 3.74Å; Y66-Y111 HydrophobicContact CG-CG 3.74Å
67	F	92.6	Very high	87.6	Confident	22 Å²	22	40.5 Å²	40.5	10%	0.096	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-32.8	-176.2	-63.2	-66.9	0	0	0	112.5	T65 K71 Y111 S115 L483 E486	T65-F67 PolarHBondContact O-N 2.97Å; T65-F67 VanDerWaalsContact O-N 3.16Å; T65-F67 PolarHBondContact OG1-N 3.33Å; F67-K71 WeakPolarHBondContact O-CD 3.4Å; F67-K71 WeakPolarHBondContact O-CG 3.33Å; F67-K71 PolarHBondContact O-N 3.44Å; F67-Y111 HydrophobicContact CZ-CD2 4.29Å; F67-S115 VanDerWaalsContact CE2-OG 3.24Å; F67-S115 WeakPolarHBondContact CE2-OG 3.41Å; F67-L483 HydrophobicContact CD2-CD2 4.23Å; F67-L483 HydrophobicContact CE2-CD2 4.38Å; F67-E486 WeakPolarHBondContact CB-OE2 3.33Å; F67-E486 HydrophobicContact CD1-CB 4.13Å; F67-E486 HydrophobicContact CD1-CG 4.18Å; F67-E486 HydrophobicContact CD2-CB 4.16Å; F67-E486 HydrophobicContact CD2-CG 4.48Å; F67-E486 WeakPolarHBondContact CD2-OE2 3.26Å; F67-E486 HydrophobicContact CE1-CB 3.78Å; F67-E486 HydrophobicContact CE1-CG 4.3Å; F67-E486 HydrophobicContact CE2-CB 3.77Å; F67-E486 HydrophobicContact CG-CB 4.32Å; F67-E486 HydrophobicContact CG-CG 4.28Å; F67-E486 WeakPolarHBondContact CG-OE2 3.47Å; F67-E486 HydrophobicContact CZ-CB 3.59Å
68	E	91.5	Very high	87.4	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-43.8	170	-71.7	65.2	-120.1	0	0	110.7	T61 V64 T65 Y66 A70 K71 I72 K482	T61-E68 HydrophobicContact CG2-CG 3.93Å; V64-E68 HydrophobicContact CG1-CB 3.78Å; T65-E68 WeakPolarHBondContact CA-OE2 3.17Å; T65-E68 WeakPolarHBondContact CB-OE2 3.09Å; T65-E68 PolarHBondContact N-OE2 2.74Å; T65-E68 PolarHBondContact O-N 3.01Å; T65-E68 VanDerWaalsContact O-N 3.12Å; T65-E68 PolarHBondContact OG1-OE2 2.86Å; Y66-E68 VanDerWaalsContact C-N 3.33Å; Y66-E68 PolarHBondContact O-N 2.95Å; E68-A70 PolarHBondContact O-N 2.85Å; E68-K71 PolarHBondContact O-N 2.87Å; E68-K71 VanDerWaalsContact O-N 3.15Å; E68-I72 VanDerWaalsContact O-CG1 3.28Å; E68-I72 WeakPolarHBondContact O-CG1 3.44Å; E68-I72 PolarHBondContact O-N 3.15Å; E68-K482 WeakPolarHBondContact OE1-CE 3.5Å; E68-K482 IonicContact OE1-NZ 3.16Å; E68-K482 PolarHBondContact OE1-NZ 2.93Å
69	C	94.1	Very high	87.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.4	-42.5	175.9	-57.5	0	0	0	0	111	T65 Y66 I72 V73 W98 L102	T65-C69 PolarHBondContact O-N 3.02Å; T65-C69 PolarHBondContact O-SG 3.07Å; Y66-C69 WeakPolarHBondContact O-CB 3.49Å; Y66-C69 PolarHBondContact O-N 3.16Å; C69-I72 PolarHBondContact O-N 3.33Å; C69-V73 WeakPolarHBondContact O-CG2 3.44Å; C69-V73 PolarHBondContact O-N 2.86Å; C69-W98 HydrophobicContact CB-CE3 4.08Å; C69-W98 HydrophobicContact CB-CZ3 3.74Å; C69-L102 HydrophobicContact CB-CD2 3.63Å
70	A	93.8	Very high	86.9	Confident	25 Å²	25	44.7 Å²	44.7	21%	0.207	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-43.4	179.3	0	0	0	0	0	111.5	Y66 E68 V73 E74 L102	Y66-A70 WeakPolarHBondContact O-CB 3.34Å; Y66-A70 PolarHBondContact O-N 3.47Å; E68-A70 PolarHBondContact O-N 2.85Å; A70-V73 PolarHBondContact O-N 3.11Å; A70-E74 WeakPolarHBondContact O-CG 3.38Å; A70-E74 PolarHBondContact O-N 2.93Å; A70-L102 HydrophobicContact CB-CD2 4.24Å
71	K	91.9	Very high	86.6	Confident	77 Å²	77	43.3 Å²	43.3	34%	0.335	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-41.1	175.6	-71.6	165.4	-171.1	155.6	0	112	L57 F67 E68 V73 E74 L75 E486	L57-K71 HydrophobicContact CD1-CB 4.44Å; L57-K71 HydrophobicContact CD1-CD 3.83Å; L57-K71 HydrophobicContact CD2-CB 3.72Å; F67-K71 WeakPolarHBondContact O-CD 3.4Å; F67-K71 WeakPolarHBondContact O-CG 3.33Å; F67-K71 PolarHBondContact O-N 3.44Å; E68-K71 PolarHBondContact O-N 2.87Å; E68-K71 VanDerWaalsContact O-N 3.15Å; K71-V73 VanDerWaalsContact C-N 3.31Å; K71-V73 PolarHBondContact O-N 3.32Å; K71-E74 PolarHBondContact O-N 3.28Å; K71-L75 WeakPolarHBondContact O-CG 3.36Å; K71-L75 PolarHBondContact O-N 3.02Å; K71-E486 IonicContact NZ-OE1 2.71Å; K71-E486 PolarHBondContact NZ-OE1 3.11Å
72	I	91.1	Very high	86.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.7	-47.1	173.2	-71	166.2	0	0	0	109.9	M48 I54 L57 L58 V64 E68 C69 E74 L75 L76 W98	M48-I72 HydrophobicContact CE-CD1 4.07Å; M48-I72 HydrophobicContact CE-CG2 3.91Å; M48-I72 HydrophobicContact SD-CG2 4.37Å; I54-I72 HydrophobicContact CG2-CG1 4.45Å; L57-I72 HydrophobicContact CD2-CG1 3.94Å; L58-I72 HydrophobicContact CD2-CD1 4.46Å; V64-I72 HydrophobicContact CG1-CD1 4.47Å; E68-I72 VanDerWaalsContact O-CG1 3.28Å; E68-I72 WeakPolarHBondContact O-CG1 3.44Å; E68-I72 PolarHBondContact O-N 3.15Å; C69-I72 PolarHBondContact O-N 3.33Å; I72-E74 PolarHBondContact O-N 3.04Å; I72-L75 PolarHBondContact O-N 3.01Å; I72-L76 HydrophobicContact CG2-CD1 3.89Å; I72-L76 HydrophobicContact CG2-CG 4.26Å; I72-L76 WeakPolarHBondContact O-CB 3.34Å; I72-L76 VanDerWaalsContact O-CG 3.32Å; I72-L76 WeakPolarHBondContact O-CG 3.42Å; I72-L76 PolarHBondContact O-N 2.9Å; I72-W98 HydrophobicContact CD1-CH2 3.56Å; I72-W98 HydrophobicContact CD1-CZ2 4.02Å; I72-W98 HydrophobicContact CD1-CZ3 3.96Å; I72-W98 HydrophobicContact CG2-CD2 3.89Å; I72-W98 HydrophobicContact CG2-CE3 4.22Å; I72-W98 HydrophobicContact CG2-CG 4.34Å; I72-W98 HydrophobicContact CG2-CH2 4.43Å; I72-W98 HydrophobicContact CG2-CZ2 4.15Å; I72-W98 HydrophobicContact CG2-CZ3 4.47Å
73	V	91.3	Very high	85.9	Confident	5 Å²	5	44.3 Å²	44.3	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-41.9	178.8	170.3	0	0	0	0	111.3	C69 A70 K71 L76 K77 M95 W98 L102	C69-V73 WeakPolarHBondContact O-CG2 3.44Å; C69-V73 PolarHBondContact O-N 2.86Å; A70-V73 PolarHBondContact O-N 3.11Å; K71-V73 VanDerWaalsContact C-N 3.31Å; K71-V73 PolarHBondContact O-N 3.32Å; V73-L76 PolarHBondContact O-N 3.09Å; V73-K77 VanDerWaalsContact O-CG 3.32Å; V73-K77 WeakPolarHBondContact O-CG 3.19Å; V73-K77 PolarHBondContact O-N 3.19Å; V73-M95 HydrophobicContact CG1-CE 3.83Å; V73-M95 HydrophobicContact CG1-SD 4.39Å; V73-W98 HydrophobicContact CG2-CB 3.68Å; V73-W98 HydrophobicContact CG2-CG 4.48Å; V73-L102 HydrophobicContact CB-CD1 3.88Å; V73-L102 HydrophobicContact CG1-CD1 3.96Å; V73-L102 HydrophobicContact CG2-CD1 3.57Å; V73-L102 HydrophobicContact CG2-CG 4.06Å
74	E	90.8	Very high	85.3	Confident	101 Å²	101	45.7 Å²	45.7	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-59.6	-45.3	173.5	-66.2	-53.9	147.6	0	0	112.1	A70 K71 I72 L76 K77 E78	A70-E74 WeakPolarHBondContact O-CG 3.38Å; A70-E74 PolarHBondContact O-N 2.93Å; K71-E74 PolarHBondContact O-N 3.28Å; I72-E74 PolarHBondContact O-N 3.04Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.58Å; E74-K77 WeakPolarHBondContact O-CB 3.41Å; E74-K77 PolarHBondContact O-N 3.45Å; E74-K77 VanDerWaalsContact O-N 3.14Å; E74-K77 IonicContact OE1-NZ 3.25Å; E74-K77 PolarHBondContact OE1-NZ 2.86Å; E74-K77 WeakPolarHBondContact OE2-CD 3.36Å; E74-K77 IonicContact OE2-NZ 3.58Å; E74-K77 PolarHBondContact OE2-NZ 3.27Å; E74-E78 PolarHBondContact O-N 2.69Å
75	L	88.3	Confident	84.7	Confident	37 Å²	37	47.7 Å²	47.7	19%	0.194	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-36	176.3	-68	171.4	0	0	0	112.6	I54 K71 I72 K77 E78 T79	I54-L75 HydrophobicContact CG1-CB 4.41Å; I54-L75 HydrophobicContact CG1-CD1 3.72Å; K71-L75 WeakPolarHBondContact O-CG 3.36Å; K71-L75 PolarHBondContact O-N 3.02Å; I72-L75 PolarHBondContact O-N 3.01Å; L75-K77 VanDerWaalsContact C-N 3.34Å; L75-E78 PolarHBondContact O-N 2.85Å; L75-T79 PolarHBondContact O-N 3.31Å; L75-T79 VanDerWaalsContact O-N 3.12Å; L75-T79 PolarHBondContact O-OG1 2.8Å
76	L	86.5	Confident	83.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-31.6	174.5	-71.3	176.4	0	0	0	112.2	I72 V73 E74 E78 T79 E80 R94 M95 W98	I72-L76 HydrophobicContact CG2-CD1 3.89Å; I72-L76 HydrophobicContact CG2-CG 4.26Å; I72-L76 WeakPolarHBondContact O-CB 3.34Å; I72-L76 VanDerWaalsContact O-CG 3.32Å; I72-L76 WeakPolarHBondContact O-CG 3.42Å; I72-L76 PolarHBondContact O-N 2.9Å; V73-L76 PolarHBondContact O-N 3.09Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 2.58Å; L76-E78 VanDerWaalsContact C-N 3.28Å; L76-E78 PolarHBondContact O-N 3.3Å; L76-T79 WeakPolarHBondContact CA-OG1 3.41Å; L76-T79 PolarHBondContact O-N 3.14Å; L76-T79 PolarHBondContact O-OG1 2.88Å; L76-E80 WeakPolarHBondContact O-CA 3.43Å; L76-E80 WeakPolarHBondContact O-CB 3.28Å; L76-E80 PolarHBondContact O-N 3.34Å; L76-R94 HydrophobicContact CD1-CG 4.19Å; L76-M95 HydrophobicContact CB-SD 3.9Å; L76-M95 HydrophobicContact CD1-SD 4.36Å; L76-W98 HydrophobicContact CD1-CB 4.39Å; L76-W98 HydrophobicContact CD1-CG 4.05Å
77	K	85.8	Confident	82.5	Confident	72 Å²	72	61.7 Å²	61.7	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-35.6	174.1	-67.2	175	-167.6	165.5	0	112	V73 E74 L75 Y90 M95	V73-K77 VanDerWaalsContact O-CG 3.32Å; V73-K77 WeakPolarHBondContact O-CG 3.19Å; V73-K77 PolarHBondContact O-N 3.19Å; E74-K77 WeakPolarHBondContact O-CB 3.41Å; E74-K77 PolarHBondContact O-N 3.45Å; E74-K77 VanDerWaalsContact O-N 3.14Å; E74-K77 IonicContact OE1-NZ 3.25Å; E74-K77 PolarHBondContact OE1-NZ 2.86Å; E74-K77 WeakPolarHBondContact OE2-CD 3.36Å; E74-K77 IonicContact OE2-NZ 3.58Å; E74-K77 PolarHBondContact OE2-NZ 3.27Å; L75-K77 VanDerWaalsContact C-N 3.34Å; K77-Y90 HydrophobicContact CG-CE2 4.4Å; K77-Y90 WeakPolarHBondContact CG-OH 3.31Å; K77-M95 HydrophobicContact CG-CE 3.65Å
78	E	82.6	Confident	81.7	Confident	152 Å²	152	62.8 Å²	62.8	71%	0.71	34%	0.341	S	S	*	.	H	α-helix	trans	-72.9	-43.3	177.9	-65.2	-179.8	175.7	0	0	111.4	E74 L75 L76	E74-E78 PolarHBondContact O-N 2.69Å; L75-E78 PolarHBondContact O-N 2.85Å; L76-E78 VanDerWaalsContact C-N 3.28Å; L76-E78 PolarHBondContact O-N 3.3Å
79	T	79.6	Confident	80.9	Confident	81 Å²	81	65.7 Å²	65.7	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-82.1	-34	-174.9	50.3	0	0	0	0	113.9	L75 L76	L75-T79 PolarHBondContact O-N 3.31Å; L75-T79 VanDerWaalsContact O-N 3.12Å; L75-T79 PolarHBondContact O-OG1 2.8Å; L76-T79 WeakPolarHBondContact CA-OG1 3.41Å; L76-T79 PolarHBondContact O-N 3.14Å; L76-T79 PolarHBondContact O-OG1 2.88Å
80	E	75.1	Confident	80.1	Confident	25 Å²	25	66.9 Å²	66.9	12%	0.117	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	25.7	-179.2	-57	-166.1	172.6	0	0	113.2	L76 S82 S83 S92 R94	L76-E80 WeakPolarHBondContact O-CA 3.43Å; L76-E80 WeakPolarHBondContact O-CB 3.28Å; L76-E80 PolarHBondContact O-N 3.34Å; E80-S82 PolarHBondContact O-N 3.08Å; E80-S83 WeakPolarHBondContact O-CB 3.48Å; E80-S83 PolarHBondContact O-N 3.27Å; E80-S83 PolarHBondContact O-OG 3.46Å; E80-S92 WeakPolarHBondContact OE2-CB 3.49Å; E80-S92 PolarHBondContact OE2-OG 3.44Å; E80-R94 WeakPolarHBondContact OE1-CD 3.45Å; E80-R94 IonicContact OE1-CZ 3.73Å; E80-R94 IonicContact OE1-NE 3.1Å; E80-R94 IonicContact OE1-NH1 2.93Å; E80-R94 PolarHBondContact OE1-NH1 3.24Å
81	A	67.2	Low	79.4	Confident	58 Å²	58	69 Å²	69	48%	0.479	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-53	-30.3	-175.9	0	0	0	0	0	114.3	S83	A81-S83 VanDerWaalsContact C-N 3.34Å
82	S	67.3	Low	79.1	Confident	119 Å²	119	66.6 Å²	66.6	83%	0.832	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-77.6	-11.6	179	58.2	0	0	0	0	114.6	E80 K84	E80-S82 PolarHBondContact O-N 3.08Å; S82-K84 PolarHBondContact O-N 3.11Å
83	S	71.2	Confident	78.9	Confident	21 Å²	21	72 Å²	72	15%	0.147	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-82	11.1	-175	70.5	0	0	0	0	114.1	E80 A81 Y90 T91	E80-S83 WeakPolarHBondContact O-CB 3.48Å; E80-S83 PolarHBondContact O-N 3.27Å; E80-S83 PolarHBondContact O-OG 3.46Å; A81-S83 VanDerWaalsContact C-N 3.34Å; S83-Y90 CarbonylContact O-C 3.52Å; S83-Y90 WeakPolarHBondContact OG-CD1 3.35Å; S83-T91 VanDerWaalsContact O-CB 3.32Å; S83-T91 WeakPolarHBondContact O-CB 3.37Å; S83-T91 WeakPolarHBondContact O-CG2 3.37Å; S83-T91 PolarHBondContact O-N 2.92Å; S83-T91 PolarHBondContact O-OG1 3.39Å
84	K	74.1	Confident	78.7	Confident	103 Å²	103	74.1 Å²	74.1	45%	0.448	40%	0.403	S	S	.	.	B	Isolated β-bridge	trans	-81.4	137.4	179.6	-67.4	-179.2	-179.3	174.2	0	112.3	S82 S89 Y90	S82-K84 PolarHBondContact O-N 3.11Å; K84-S89 CarbonylContact C-O 3.14Å; K84-S89 VanDerWaalsContact CA-O 3.32Å; K84-S89 WeakPolarHBondContact CA-O 3.27Å; K84-Y90 HydrophobicContact CD-CE1 4.18Å; K84-Y90 WeakPolarHBondContact CE-OH 3.29Å; K84-Y90 HydrophobicContact CG-CD1 3.76Å; K84-Y90 HydrophobicContact CG-CE1 3.77Å; K84-Y90 HydrophobicContact CG-CG 4.29Å; K84-Y90 PolarHBondContact NZ-OH 3.35Å
85	N	77	Confident	78.6	Confident	65 Å²	65	69.3 Å²	69.3	35%	0.348	38%	0.381	S	S	.	.			trans	-76.3	174	168.2	67.7	17.5	0	0	0	111.5	F87 G88 S89 T91	N85-F87 PolarHBondContact O-N 3.21Å; N85-F87 WeakPolarHBondContact OD1-CA 3.44Å; N85-F87 PolarHBondContact OD1-N 3.46Å; N85-G88 PolarHBondContact O-N 3.39Å; N85-G88 PolarHBondContact OD1-N 2.96Å; N85-S89 VanDerWaalsContact CG-O 3.31Å; N85-S89 PolarHBondContact N-O 3.01Å; N85-S89 PolarHBondContact OD1-N 3.43Å; N85-S89 PolarHBondContact OD1-O 3.18Å; N85-T91 HydrophobicContact CB-CG2 3.73Å
86	I	69.4	Low	78.7	Confident	157 Å²	157	72 Å²	72	81%	0.805	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-16.7	178.6	62.4	173.1	0	0	0	114.4
87	F	72.5	Confident	79	Confident	171 Å²	171	74.5 Å²	74.5	75%	0.75	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	11.6	176.9	-60.1	-72.5	0	0	0	112.6	N85 S89	N85-F87 PolarHBondContact O-N 3.21Å; N85-F87 WeakPolarHBondContact OD1-CA 3.44Å; N85-F87 PolarHBondContact OD1-N 3.46Å; F87-S89 VanDerWaalsContact C-N 3.27Å; F87-S89 PolarHBondContact O-N 2.89Å
88	G	73.9	Confident	79.4	Confident	45 Å²	45	71 Å²	71	46%	0.464	39%	0.389	S	S	.	.	S	Bend	trans	77.6	3.5	177.1	0	0	0	0	0	115.3	N85	N85-G88 PolarHBondContact O-N 3.39Å; N85-G88 PolarHBondContact OD1-N 2.96Å
89	S	75.5	Confident	79.9	Confident	65 Å²	65	66.7 Å²	66.7	46%	0.455	37%	0.368	S	S	.	.			trans	-87.2	138	178.9	-55.4	0	0	0	0	111.1	K84 N85 F87	K84-S89 CarbonylContact C-O 3.14Å; K84-S89 VanDerWaalsContact CA-O 3.32Å; K84-S89 WeakPolarHBondContact CA-O 3.27Å; N85-S89 VanDerWaalsContact CG-O 3.31Å; N85-S89 PolarHBondContact N-O 3.01Å; N85-S89 PolarHBondContact OD1-N 3.43Å; N85-S89 PolarHBondContact OD1-O 3.18Å; F87-S89 VanDerWaalsContact C-N 3.27Å; F87-S89 PolarHBondContact O-N 2.89Å
90	Y	77.8	Confident	80.7	Confident	25 Å²	25	65.1 Å²	65.1	10%	0.098	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-66.1	139.3	174.5	-63.3	-83.3	0	0	0	111	K77 S83 K84 M95 K96	K77-Y90 HydrophobicContact CG-CE2 4.4Å; K77-Y90 WeakPolarHBondContact CG-OH 3.31Å; S83-Y90 CarbonylContact O-C 3.52Å; S83-Y90 WeakPolarHBondContact OG-CD1 3.35Å; K84-Y90 HydrophobicContact CD-CE1 4.18Å; K84-Y90 WeakPolarHBondContact CE-OH 3.29Å; K84-Y90 HydrophobicContact CG-CD1 3.76Å; K84-Y90 HydrophobicContact CG-CE1 3.77Å; K84-Y90 HydrophobicContact CG-CG 4.29Å; K84-Y90 PolarHBondContact NZ-OH 3.35Å; Y90-M95 VanDerWaalsContact CB-CG 3.49Å; Y90-M95 HydrophobicContact CD1-CE 4.48Å; Y90-M95 HydrophobicContact CD1-CG 4.05Å; Y90-M95 HydrophobicContact CD2-CE 3.65Å; Y90-M95 HydrophobicContact CD2-CG 3.8Å; Y90-M95 HydrophobicContact CE1-CE 4.36Å; Y90-M95 HydrophobicContact CE2-CE 3.49Å; Y90-M95 VanDerWaalsContact CE2-CE 3.49Å; Y90-M95 HydrophobicContact CG-CB 4.42Å; Y90-M95 HydrophobicContact CG-CE 4.16Å; Y90-M95 HydrophobicContact CG-CG 3.52Å; Y90-K96 WeakPolarHBondContact O-CE 3.3Å
91	T	78.7	Confident	81.7	Confident	71 Å²	71	64 Å²	64	44%	0.436	36%	0.356	S	S	.	.			trans	-101.2	-23.6	-175.1	58.1	0	0	0	0	113.3	S83 N85 K96	S83-T91 VanDerWaalsContact O-CB 3.32Å; S83-T91 WeakPolarHBondContact O-CB 3.37Å; S83-T91 WeakPolarHBondContact O-CG2 3.37Å; S83-T91 PolarHBondContact O-N 2.92Å; S83-T91 PolarHBondContact O-OG1 3.39Å; N85-T91 HydrophobicContact CB-CG2 3.73Å; T91-K96 WeakPolarHBondContact O-CE 3.38Å; T91-K96 PolarHBondContact O-NZ 2.84Å
92	S	85	Confident	83.1	Confident	26 Å²	26	62.2 Å²	62.2	18%	0.182	34%	0.338	C	S	.	.			trans	-62	140.6	179	56.1	0	0	0	0	111.5	E80 M95 K96	E80-S92 WeakPolarHBondContact OE2-CB 3.49Å; E80-S92 PolarHBondContact OE2-OG 3.44Å; S92-M95 PolarHBondContact O-N 2.65Å; S92-M95 WeakPolarHBondContact OG-CB 3.44Å; S92-K96 WeakPolarHBondContact O-CG 3.35Å; S92-K96 PolarHBondContact O-N 3.04Å; S92-K96 VanDerWaalsContact O-N 3.17Å
93	Q	87.1	Confident	84.5	Confident	114 Å²	114	62.5 Å²	62.5	53%	0.533	33%	0.326	S	S	.	.	H	α-helix	trans	-64.5	-46.8	179.7	-173.1	58.3	38.8	0	0	110.7	M95 K96 D97	Q93-M95 PolarHBondContact O-N 2.91Å; Q93-K96 WeakPolarHBondContact O-CA 3.37Å; Q93-K96 WeakPolarHBondContact O-CB 3.44Å; Q93-K96 PolarHBondContact O-N 3.19Å; Q93-D97 PolarHBondContact NE2-OD1 2.92Å; Q93-D97 VanDerWaalsContact O-CG 3.26Å; Q93-D97 PolarHBondContact O-N 2.6Å
94	R	87.2	Confident	85.7	Confident	49 Å²	49	64.6 Å²	64.6	19%	0.185	33%	0.334	C	S	.	.	H	α-helix	trans	-45.5	-55	171.9	-174.5	-175.6	-58.3	150.4	-7.3	113.7	D47 L76 E80 K96 D97 W98	D47-R94 VanDerWaalsContact O-CZ 3.24Å; D47-R94 PolarHBondContact O-NE 3.32Å; D47-R94 PolarHBondContact O-NH2 2.88Å; D47-R94 IonicContact OD1-NH2 3.57Å; D47-R94 WeakPolarHBondContact OD2-CB 3.49Å; D47-R94 IonicContact OD2-NE 3.55Å; L76-R94 HydrophobicContact CD1-CG 4.19Å; E80-R94 WeakPolarHBondContact OE1-CD 3.45Å; E80-R94 IonicContact OE1-CZ 3.73Å; E80-R94 IonicContact OE1-NE 3.1Å; E80-R94 IonicContact OE1-NH1 2.93Å; E80-R94 PolarHBondContact OE1-NH1 3.24Å; R94-K96 VanDerWaalsContact C-N 3.32Å; R94-K96 PolarHBondContact O-N 3.42Å; R94-D97 PolarHBondContact O-N 3.35Å; R94-W98 VanDerWaalsContact O-CD1 3.24Å; R94-W98 PolarHBondContact O-N 3.37Å
95	M	89.1	Confident	86.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-38.2	-178.4	-171.6	58	169.5	0	0	111.4	V73 L76 K77 Y90 S92 Q93 D97 Q99	V73-M95 HydrophobicContact CG1-CE 3.83Å; V73-M95 HydrophobicContact CG1-SD 4.39Å; L76-M95 HydrophobicContact CB-SD 3.9Å; L76-M95 HydrophobicContact CD1-SD 4.36Å; K77-M95 HydrophobicContact CG-CE 3.65Å; Y90-M95 VanDerWaalsContact CB-CG 3.49Å; Y90-M95 HydrophobicContact CD1-CE 4.48Å; Y90-M95 HydrophobicContact CD1-CG 4.05Å; Y90-M95 HydrophobicContact CD2-CE 3.65Å; Y90-M95 HydrophobicContact CD2-CG 3.8Å; Y90-M95 HydrophobicContact CE1-CE 4.36Å; Y90-M95 HydrophobicContact CE2-CE 3.49Å; Y90-M95 VanDerWaalsContact CE2-CE 3.49Å; Y90-M95 HydrophobicContact CG-CB 4.42Å; Y90-M95 HydrophobicContact CG-CE 4.16Å; Y90-M95 HydrophobicContact CG-CG 3.52Å; S92-M95 PolarHBondContact O-N 2.65Å; S92-M95 WeakPolarHBondContact OG-CB 3.44Å; Q93-M95 PolarHBondContact O-N 2.91Å; M95-D97 VanDerWaalsContact C-N 3.35Å; M95-Q99 HydrophobicContact CE-CG 4.2Å; M95-Q99 HydrophobicContact CG-CG 4.38Å; M95-Q99 VanDerWaalsContact O-CB 3.28Å; M95-Q99 WeakPolarHBondContact O-CB 3.41Å; M95-Q99 WeakPolarHBondContact O-CG 3.4Å; M95-Q99 PolarHBondContact O-N 2.94Å; M95-Q99 HydrophobicContact SD-CG 4.32Å
96	K	90.7	Very high	87.7	Confident	92 Å²	92	61 Å²	61	40%	0.4	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-41.5	174.4	-71.8	167.7	177.9	160.1	0	112.1	Y90 T91 S92 Q93 R94 Q99 S100	Y90-K96 WeakPolarHBondContact O-CE 3.3Å; T91-K96 WeakPolarHBondContact O-CE 3.38Å; T91-K96 PolarHBondContact O-NZ 2.84Å; S92-K96 WeakPolarHBondContact O-CG 3.35Å; S92-K96 PolarHBondContact O-N 3.04Å; S92-K96 VanDerWaalsContact O-N 3.17Å; Q93-K96 WeakPolarHBondContact O-CA 3.37Å; Q93-K96 WeakPolarHBondContact O-CB 3.44Å; Q93-K96 PolarHBondContact O-N 3.19Å; R94-K96 VanDerWaalsContact C-N 3.32Å; R94-K96 PolarHBondContact O-N 3.42Å; K96-Q99 PolarHBondContact O-N 2.64Å; K96-S100 VanDerWaalsContact O-CB 3.31Å; K96-S100 WeakPolarHBondContact O-CB 3.45Å; K96-S100 PolarHBondContact O-N 2.89Å
97	D	93.2	Very high	89	Confident	53 Å²	53	59.9 Å²	59.9	28%	0.283	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-49.1	179.8	-65.6	-22.1	0	0	0	110.6	A44 Q93 R94 M95 Q99 S100 I101	A44-D97 HydrophobicContact CB-CB 4.32Å; Q93-D97 PolarHBondContact NE2-OD1 2.92Å; Q93-D97 VanDerWaalsContact O-CG 3.26Å; Q93-D97 PolarHBondContact O-N 2.6Å; R94-D97 PolarHBondContact O-N 3.35Å; M95-D97 VanDerWaalsContact C-N 3.35Å; D97-Q99 PolarHBondContact O-N 3.49Å; D97-S100 WeakPolarHBondContact O-CB 3.45Å; D97-S100 PolarHBondContact O-N 3.13Å; D97-I101 WeakPolarHBondContact O-CG1 3.43Å; D97-I101 PolarHBondContact O-N 3.32Å
98	W	93.3	Very high	90	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-40.9	176.8	-80.6	107.4	0	0	0	113.3	I41 A44 M45 M48 C69 I72 V73 L76 R94 S100 I101 L102	I41-W98 HydrophobicContact CG2-CH2 4.42Å; A44-W98 HydrophobicContact CB-CD2 4.48Å; A44-W98 HydrophobicContact CB-CZ2 4.12Å; M45-W98 HydrophobicContact CE-CH2 3.36Å; M45-W98 HydrophobicContact CE-CZ2 3.58Å; M45-W98 HydrophobicContact SD-CH2 4.17Å; M45-W98 HydrophobicContact SD-CZ2 3.88Å; M48-W98 HydrophobicContact CE-CH2 4.27Å; M48-W98 HydrophobicContact CE-CZ2 3.31Å; C69-W98 HydrophobicContact CB-CE3 4.08Å; C69-W98 HydrophobicContact CB-CZ3 3.74Å; I72-W98 HydrophobicContact CD1-CH2 3.56Å; I72-W98 HydrophobicContact CD1-CZ2 4.02Å; I72-W98 HydrophobicContact CD1-CZ3 3.96Å; I72-W98 HydrophobicContact CG2-CD2 3.89Å; I72-W98 HydrophobicContact CG2-CE3 4.22Å; I72-W98 HydrophobicContact CG2-CG 4.34Å; I72-W98 HydrophobicContact CG2-CH2 4.43Å; I72-W98 HydrophobicContact CG2-CZ2 4.15Å; I72-W98 HydrophobicContact CG2-CZ3 4.47Å; V73-W98 HydrophobicContact CG2-CB 3.68Å; V73-W98 HydrophobicContact CG2-CG 4.48Å; L76-W98 HydrophobicContact CD1-CB 4.39Å; L76-W98 HydrophobicContact CD1-CG 4.05Å; R94-W98 VanDerWaalsContact O-CD1 3.24Å; R94-W98 PolarHBondContact O-N 3.37Å; W98-S100 VanDerWaalsContact C-N 3.34Å; W98-I101 HydrophobicContact CE3-CD1 4.22Å; W98-I101 HydrophobicContact CZ3-CD1 4.46Å; W98-I101 PolarHBondContact O-N 3.35Å; W98-L102 PolarHBondContact O-N 3.17Å
99	Q	93.5	Very high	91	Very high	60 Å²	60	52.9 Å²	52.9	28%	0.28	27%	0.267	S	S	.	.	H	α-helix	trans	-64.7	-38.2	173.3	-75	-175.5	-33.7	0	0	112.1	M95 K96 D97 L102 Q103	M95-Q99 HydrophobicContact CE-CG 4.2Å; M95-Q99 HydrophobicContact CG-CG 4.38Å; M95-Q99 VanDerWaalsContact O-CB 3.28Å; M95-Q99 WeakPolarHBondContact O-CB 3.41Å; M95-Q99 WeakPolarHBondContact O-CG 3.4Å; M95-Q99 PolarHBondContact O-N 2.94Å; M95-Q99 HydrophobicContact SD-CG 4.32Å; K96-Q99 PolarHBondContact O-N 2.64Å; D97-Q99 PolarHBondContact O-N 3.49Å; Q99-L102 PolarHBondContact O-N 2.95Å; Q99-Q103 VanDerWaalsContact O-CG 3.3Å; Q99-Q103 WeakPolarHBondContact O-CG 3.38Å; Q99-Q103 PolarHBondContact O-N 3.24Å
100	S	95.1	Very high	92	Very high	48 Å²	48	50 Å²	50	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-41.2	175.4	-172.1	0	0	0	0	111.7	K96 D97 W98 Q103 Q104	K96-S100 VanDerWaalsContact O-CB 3.31Å; K96-S100 WeakPolarHBondContact O-CB 3.45Å; K96-S100 PolarHBondContact O-N 2.89Å; D97-S100 WeakPolarHBondContact O-CB 3.45Å; D97-S100 PolarHBondContact O-N 3.13Å; W98-S100 VanDerWaalsContact C-N 3.34Å; S100-Q103 PolarHBondContact O-N 3.3Å; S100-Q104 WeakPolarHBondContact O-CG 3.34Å; S100-Q104 PolarHBondContact O-N 2.66Å
101	I	96.7	Very high	92.9	Very high	3 Å²	3	49 Å²	49	2%	0.015	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-48.3	174.5	-71.2	163.1	0	0	0	110.5	I37 L40 I41 A44 D97 W98 Q103 Q104 Y105	I37-I101 HydrophobicContact CG2-CG2 4.16Å; L40-I101 HydrophobicContact CB-CD1 4.25Å; L40-I101 HydrophobicContact CB-CG1 3.92Å; I41-I101 HydrophobicContact CG1-CD1 4.26Å; I41-I101 HydrophobicContact CG1-CG2 3.95Å; A44-I101 HydrophobicContact CB-CD1 3.71Å; D97-I101 WeakPolarHBondContact O-CG1 3.43Å; D97-I101 PolarHBondContact O-N 3.32Å; W98-I101 HydrophobicContact CE3-CD1 4.22Å; W98-I101 HydrophobicContact CZ3-CD1 4.46Å; W98-I101 PolarHBondContact O-N 3.35Å; I101-Q103 PolarHBondContact O-N 3.35Å; I101-Q104 PolarHBondContact O-N 3.22Å; I101-Y105 HydrophobicContact CG2-CD2 3.88Å; I101-Y105 HydrophobicContact CG2-CE2 4.03Å; I101-Y105 PolarHBondContact O-N 3.19Å
102	L	96.6	Very high	93.7	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-45.9	176.6	-70.1	-172.8	0	0	0	112.1	Y66 C69 A70 V73 W98 Q99 Q104 Y105 E106	Y66-L102 HydrophobicContact CD2-CD2 3.77Å; Y66-L102 HydrophobicContact CE2-CD2 3.73Å; C69-L102 HydrophobicContact CB-CD2 3.63Å; A70-L102 HydrophobicContact CB-CD2 4.24Å; V73-L102 HydrophobicContact CB-CD1 3.88Å; V73-L102 HydrophobicContact CG1-CD1 3.96Å; V73-L102 HydrophobicContact CG2-CD1 3.57Å; V73-L102 HydrophobicContact CG2-CG 4.06Å; W98-L102 PolarHBondContact O-N 3.17Å; Q99-L102 PolarHBondContact O-N 2.95Å; L102-Q104 VanDerWaalsContact C-N 3.27Å; L102-Q104 PolarHBondContact O-N 3Å; L102-Y105 WeakPolarHBondContact O-CB 3.35Å; L102-Y105 PolarHBondContact O-N 2.98Å; L102-Y105 VanDerWaalsContact O-N 3.14Å; L102-E106 WeakPolarHBondContact O-CB 3.47Å; L102-E106 VanDerWaalsContact O-CG 3.29Å; L102-E106 WeakPolarHBondContact O-CG 3.42Å; L102-E106 PolarHBondContact O-N 3.41Å
103	Q	96.6	Very high	94.3	Very high	125 Å²	125	44.4 Å²	44.4	58%	0.584	21%	0.213	S	C	*	.	H	α-helix	trans	-59.3	-38.5	177.8	-73.5	172.3	11.4	0	0	112.3	Q99 S100 I101 K107	Q99-Q103 VanDerWaalsContact O-CG 3.3Å; Q99-Q103 WeakPolarHBondContact O-CG 3.38Å; Q99-Q103 PolarHBondContact O-N 3.24Å; S100-Q103 PolarHBondContact O-N 3.3Å; I101-Q103 PolarHBondContact O-N 3.35Å; Q103-K107 WeakPolarHBondContact O-CB 3.47Å; Q103-K107 PolarHBondContact O-N 3.18Å
104	Q	96.7	Very high	94.7	Very high	65 Å²	65	39.3 Å²	39.3	30%	0.304	19%	0.189	S	C	.	.	H	α-helix	trans	-69.8	-37.4	176.8	-73.2	-175.5	63.1	0	0	112.6	I37 S100 I101 L102	I37-Q104 HydrophobicContact CD1-CB 3.97Å; I37-Q104 HydrophobicContact CG1-CB 3.82Å; S100-Q104 WeakPolarHBondContact O-CG 3.34Å; S100-Q104 PolarHBondContact O-N 2.66Å; I101-Q104 PolarHBondContact O-N 3.22Å; L102-Q104 VanDerWaalsContact C-N 3.27Å; L102-Q104 PolarHBondContact O-N 3Å
105	Y	97.4	Very high	95.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-46.1	173.1	-96.6	-59	0	0	0	112.4	I34 I37 I41 Y66 I101 L102 V110 Y111 E114	I34-Y105 HydrophobicContact CD1-CD1 4.13Å; I34-Y105 HydrophobicContact CD1-CE1 3.42Å; I34-Y105 VanDerWaalsContact CD1-CE1 3.42Å; I37-Y105 HydrophobicContact CD1-CD1 3.99Å; I37-Y105 HydrophobicContact CD1-CD2 4.49Å; I37-Y105 HydrophobicContact CD1-CE1 4.31Å; I37-Y105 HydrophobicContact CD1-CG 4.09Å; I37-Y105 HydrophobicContact CG2-CD2 3.81Å; I37-Y105 HydrophobicContact CG2-CE1 4.35Å; I37-Y105 HydrophobicContact CG2-CE2 3.4Å; I37-Y105 VanDerWaalsContact CG2-CE2 3.4Å; I37-Y105 HydrophobicContact CG2-CG 4.45Å; I41-Y105 HydrophobicContact CD1-CE2 3.88Å; Y66-Y105 HydrophobicContact CD2-CD2 4.23Å; Y66-Y105 AromaticContact CD2-CG 3.97Å; Y66-Y105 HydrophobicContact CD2-CG 3.97Å; Y66-Y105 HydrophobicContact CG-CG 4.39Å; I101-Y105 HydrophobicContact CG2-CD2 3.88Å; I101-Y105 HydrophobicContact CG2-CE2 4.03Å; I101-Y105 PolarHBondContact O-N 3.19Å; L102-Y105 WeakPolarHBondContact O-CB 3.35Å; L102-Y105 PolarHBondContact O-N 2.98Å; L102-Y105 VanDerWaalsContact O-N 3.14Å; Y105-V110 HydrophobicContact CD1-CG1 4.46Å; Y105-V110 WeakPolarHBondContact O-CB 3.45Å; Y105-V110 PolarHBondContact O-N 3.22Å; Y105-Y111 WeakPolarHBondContact O-CD1 3.33Å; Y105-Y111 PolarHBondContact O-N 3.07Å; Y105-E114 WeakPolarHBondContact CE1-OE2 3.35Å; Y105-E114 PolarHBondContact OH-OE2 3.04Å
106	E	96.4	Very high	95.3	Very high	93 Å²	93	37 Å²	37	44%	0.435	18%	0.18	S	C	.	.	H	α-helix	trans	-68.3	-34.4	-177.5	-73.4	173.4	-176	0	0	112.3	Y66 L102 D108 S109	Y66-E106 HydrophobicContact CE2-CG 3.85Å; L102-E106 WeakPolarHBondContact O-CB 3.47Å; L102-E106 VanDerWaalsContact O-CG 3.29Å; L102-E106 WeakPolarHBondContact O-CG 3.42Å; L102-E106 PolarHBondContact O-N 3.41Å; E106-D108 PolarHBondContact O-N 3.09Å; E106-S109 PolarHBondContact O-N 2.78Å
107	K	95.3	Very high	95.6	Very high	133 Å²	133	36.5 Å²	36.5	58%	0.578	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-55.5	124.2	174.4	-176.5	178.9	179.4	180	0	109.7	Q103 S109 V110	Q103-K107 WeakPolarHBondContact O-CB 3.47Å; Q103-K107 PolarHBondContact O-N 3.18Å; K107-S109 PolarHBondContact O-N 3.48Å; K107-V110 WeakPolarHBondContact O-CG2 3.31Å; K107-V110 PolarHBondContact O-N 3.24Å
108	D	93.9	Very high	95.6	Very high	53 Å²	53	34.7 Å²	34.7	28%	0.283	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	56	18.5	-177	-59.3	-54.4	0	0	0	114.2	C26 K27 E106 V110	C26-D108 WeakPolarHBondContact CA-O 3.34Å; K27-D108 HydrophobicContact CD-CB 4.04Å; K27-D108 WeakPolarHBondContact CE-OD1 3.35Å; K27-D108 WeakPolarHBondContact CE-OD2 3.48Å; K27-D108 HydrophobicContact CG-CB 4.19Å; K27-D108 IonicContact NZ-OD1 2.62Å; K27-D108 PolarHBondContact NZ-OD1 2.94Å; K27-D108 VanDerWaalsContact NZ-OD1 3.09Å; K27-D108 IonicContact NZ-OD2 3.01Å; K27-D108 PolarHBondContact NZ-OD2 3.04Å; E106-D108 PolarHBondContact O-N 3.09Å; D108-V110 VanDerWaalsContact C-N 3.3Å; D108-V110 PolarHBondContact O-N 3.36Å
109	S	95.3	Very high	95.6	Very high	17 Å²	17	34.7 Å²	34.7	12%	0.119	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	51.4	42.4	-179.1	-47.3	0	0	0	0	114.1	H25 E106 K107 Y111 L112 R494	H25-S109 WeakPolarHBondContact O-CB 3.41Å; H25-S109 PolarHBondContact O-OG 2.88Å; E106-S109 PolarHBondContact O-N 2.78Å; K107-S109 PolarHBondContact O-N 3.48Å; S109-Y111 PolarHBondContact O-N 3.34Å; S109-L112 WeakPolarHBondContact O-CB 3.48Å; S109-L112 PolarHBondContact O-N 2.89Å; S109-L112 VanDerWaalsContact O-N 3.11Å; S109-R494 PolarHBondContact OG-NH1 2.87Å; S109-R494 PolarHBondContact OG-NH2 3.05Å
110	V	96.4	Very high	95.6	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.018	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-36.4	179.6	171.2	0	0	0	0	111.5	Y33 I34 I37 Y105 K107 D108 L112 A113 E114	Y33-V110 HydrophobicContact CD2-CG2 4.04Å; Y33-V110 HydrophobicContact CG-CG2 4.03Å; I34-V110 HydrophobicContact CD1-CG1 3.36Å; I34-V110 HydrophobicContact CG1-CG1 3.71Å; I37-V110 HydrophobicContact CD1-CG1 4.27Å; Y105-V110 HydrophobicContact CD1-CG1 4.46Å; Y105-V110 WeakPolarHBondContact O-CB 3.45Å; Y105-V110 PolarHBondContact O-N 3.22Å; K107-V110 WeakPolarHBondContact O-CG2 3.31Å; K107-V110 PolarHBondContact O-N 3.24Å; D108-V110 VanDerWaalsContact C-N 3.3Å; D108-V110 PolarHBondContact O-N 3.36Å; V110-L112 VanDerWaalsContact C-N 3.26Å; V110-L112 PolarHBondContact O-N 3.46Å; V110-A113 WeakPolarHBondContact O-CB 3.19Å; V110-A113 PolarHBondContact O-N 2.82Å; V110-A113 VanDerWaalsContact O-N 3.15Å; V110-E114 PolarHBondContact O-N 2.89Å
111	Y	96.5	Very high	95.5	Very high	5 Å²	5	34.9 Å²	34.9	2%	0.02	17%	0.166	C	C	.	.	H	α-helix	trans	-56.2	-38.5	176.6	69	-85.6	0	0	0	113.7	Y66 F67 Y105 S109 A113 E114 S115 E490	Y66-Y111 AromaticContact CD1-CD2 3.46Å; Y66-Y111 HydrophobicContact CD1-CD2 3.46Å; Y66-Y111 VanDerWaalsContact CD1-CD2 3.46Å; Y66-Y111 HydrophobicContact CD1-CE2 4.19Å; Y66-Y111 AromaticContact CD1-CG 3.65Å; Y66-Y111 HydrophobicContact CD1-CG 3.65Å; Y66-Y111 HydrophobicContact CD2-CD1 4.5Å; Y66-Y111 HydrophobicContact CD2-CG 4.16Å; Y66-Y111 AromaticContact CE1-CD2 3.67Å; Y66-Y111 HydrophobicContact CE1-CD2 3.67Å; Y66-Y111 AromaticContact CE1-CE2 3.93Å; Y66-Y111 HydrophobicContact CE1-CE2 3.93Å; Y66-Y111 AromaticContact CE1-CG 3.98Å; Y66-Y111 HydrophobicContact CE1-CG 3.98Å; Y66-Y111 HydrophobicContact CE2-CD1 4.48Å; Y66-Y111 HydrophobicContact CE2-CG 4.44Å; Y66-Y111 HydrophobicContact CG-CD1 4.5Å; Y66-Y111 HydrophobicContact CG-CD2 4.05Å; Y66-Y111 AromaticContact CG-CG 3.74Å; Y66-Y111 HydrophobicContact CG-CG 3.74Å; F67-Y111 HydrophobicContact CZ-CD2 4.29Å; Y105-Y111 WeakPolarHBondContact O-CD1 3.33Å; Y105-Y111 PolarHBondContact O-N 3.07Å; S109-Y111 PolarHBondContact O-N 3.34Å; Y111-A113 VanDerWaalsContact C-N 3.33Å; Y111-E114 PolarHBondContact O-N 3.38Å; Y111-S115 WeakPolarHBondContact O-CB 3.35Å; Y111-S115 PolarHBondContact O-N 2.7Å; Y111-S115 PolarHBondContact O-OG 2.87Å; Y111-E490 HydrophobicContact CE2-CG 4.01Å; Y111-E490 PolarHBondContact OH-OE1 2.94Å; Y111-E490 PolarHBondContact OH-OE2 3.02Å
112	L	96	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-36.3	-177.7	-174	57.7	0	0	0	110.4	L20 H25 S109 V110 A116 I487 E490	L20-L112 HydrophobicContact CD1-CD1 4.45Å; L20-L112 HydrophobicContact CD1-CD2 4.47Å; L20-L112 HydrophobicContact CD1-CG 3.88Å; L20-L112 HydrophobicContact CD2-CD2 3.6Å; L20-L112 HydrophobicContact CD2-CG 3.93Å; H25-L112 HydrophobicContact CB-CD2 4.49Å; S109-L112 WeakPolarHBondContact O-CB 3.48Å; S109-L112 PolarHBondContact O-N 2.89Å; S109-L112 VanDerWaalsContact O-N 3.11Å; V110-L112 VanDerWaalsContact C-N 3.26Å; V110-L112 PolarHBondContact O-N 3.46Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.27Å; L112-A116 PolarHBondContact O-N 3.38Å; L112-I487 HydrophobicContact CD1-CB 4.44Å; L112-I487 HydrophobicContact CD1-CG1 4.25Å; L112-I487 HydrophobicContact CD1-CG2 3.88Å; L112-E490 HydrophobicContact CD1-CB 4.26Å; L112-E490 HydrophobicContact CD1-CG 3.92Å; L112-E490 HydrophobicContact CD2-CG 4.04Å
113	A	96.6	Very high	95.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-47	175.2	0	0	0	0	0	111.9	L17 C26 W30 V110 Y111 A116 H117	L17-A113 HydrophobicContact CD1-CB 3.9Å; C26-A113 HydrophobicContact CB-CB 3.91Å; W30-A113 HydrophobicContact CB-CB 3.67Å; W30-A113 HydrophobicContact CD2-CB 3.66Å; W30-A113 HydrophobicContact CE3-CB 4.07Å; W30-A113 HydrophobicContact CG-CB 3.47Å; W30-A113 VanDerWaalsContact CG-CB 3.47Å; V110-A113 WeakPolarHBondContact O-CB 3.19Å; V110-A113 PolarHBondContact O-N 2.82Å; V110-A113 VanDerWaalsContact O-N 3.15Å; Y111-A113 VanDerWaalsContact C-N 3.33Å; A113-A116 PolarHBondContact O-N 3.47Å; A113-H117 WeakPolarHBondContact O-CB 3.39Å; A113-H117 PolarHBondContact O-N 3.42Å
114	E	95.9	Very high	94.8	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.033	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-46.4	177.3	174	171.1	-108	0	0	111.8	W30 I34 R38 Y105 V110 Y111 A116 H117 I118	W30-E114 HydrophobicContact CZ3-CB 4.29Å; I34-E114 HydrophobicContact CD1-CB 3.83Å; I34-E114 VanDerWaalsContact CD1-CD 3.45Å; I34-E114 HydrophobicContact CD1-CG 4.2Å; I34-E114 WeakPolarHBondContact CD1-OE1 3.35Å; I34-E114 HydrophobicContact CG1-CB 4.13Å; I34-E114 WeakPolarHBondContact CG2-OE1 3.21Å; R38-E114 IonicContact CZ-OE1 2.74Å; R38-E114 IonicContact NE-OE1 3.98Å; R38-E114 PolarHBondContact NE-OE1 2.98Å; R38-E114 IonicContact NH2-OE1 2.82Å; R38-E114 PolarHBondContact NH2-OE1 2.96Å; R38-E114 IonicContact NH2-OE2 3.58Å; R38-E114 PolarHBondContact NH2-OE2 3.17Å; Y105-E114 WeakPolarHBondContact CE1-OE2 3.35Å; Y105-E114 PolarHBondContact OH-OE2 3.04Å; V110-E114 PolarHBondContact O-N 2.89Å; Y111-E114 PolarHBondContact O-N 3.38Å; E114-A116 VanDerWaalsContact C-N 3.33Å; E114-A116 PolarHBondContact O-N 2.92Å; E114-H117 WeakPolarHBondContact O-CB 3.32Å; E114-H117 PolarHBondContact O-N 3.39Å; E114-H117 VanDerWaalsContact O-N 3.12Å; E114-I118 HydrophobicContact CG-CD1 3.67Å; E114-I118 HydrophobicContact CG-CG1 4.33Å; E114-I118 WeakPolarHBondContact O-CG1 3.39Å; E114-I118 PolarHBondContact O-N 2.78Å
115	S	94.7	Very high	94.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.7	-41.6	-180	-55.4	0	0	0	0	111.6	F67 Y111 H117 L119	F67-S115 VanDerWaalsContact CE2-OG 3.24Å; F67-S115 WeakPolarHBondContact CE2-OG 3.41Å; Y111-S115 WeakPolarHBondContact O-CB 3.35Å; Y111-S115 PolarHBondContact O-N 2.7Å; Y111-S115 PolarHBondContact O-OG 2.87Å; S115-H117 VanDerWaalsContact C-N 3.33Å; S115-L119 VanDerWaalsContact O-CB 3.23Å; S115-L119 WeakPolarHBondContact O-CB 3.12Å; S115-L119 PolarHBondContact O-N 3.31Å
116	A	95.2	Very high	94.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-38.6	174.2	0	0	0	0	0	112.5	L16 L17 L20 L112 A113 E114 T120 I487	L16-A116 HydrophobicContact CB-CB 4.46Å; L16-A116 HydrophobicContact CD2-CB 3.58Å; L16-A116 HydrophobicContact CG-CB 3.68Å; L17-A116 HydrophobicContact CB-CB 4.45Å; L20-A116 HydrophobicContact CD1-CB 3.63Å; L112-A116 VanDerWaalsContact O-CB 3.26Å; L112-A116 WeakPolarHBondContact O-CB 3.27Å; L112-A116 PolarHBondContact O-N 3.38Å; A113-A116 PolarHBondContact O-N 3.47Å; E114-A116 VanDerWaalsContact C-N 3.33Å; E114-A116 PolarHBondContact O-N 2.92Å; A116-T120 WeakPolarHBondContact O-CB 3.33Å; A116-T120 PolarHBondContact O-N 2.92Å; A116-T120 PolarHBondContact O-OG1 3.31Å; A116-I487 HydrophobicContact CB-CD1 4.47Å
117	H	95.2	Very high	94.2	Very high	82 Å²	82	37 Å²	37	38%	0.38	17%	0.17	S	C	.	.	H	α-helix	trans	-64.4	-52.1	176	-178.5	59.7	0	0	0	111.4	L17 W30 A113 E114 S115 L119 T120 E121	L17-H117 HydrophobicContact CD2-CB 4.39Å; W30-H117 HydrophobicContact CH2-CB 3.78Å; W30-H117 AromaticContact CH2-CD2 3.76Å; W30-H117 AromaticContact CH2-CG 3.72Å; W30-H117 HydrophobicContact CZ2-CB 4.11Å; A113-H117 WeakPolarHBondContact O-CB 3.39Å; A113-H117 PolarHBondContact O-N 3.42Å; E114-H117 WeakPolarHBondContact O-CB 3.32Å; E114-H117 PolarHBondContact O-N 3.39Å; E114-H117 VanDerWaalsContact O-N 3.12Å; S115-H117 VanDerWaalsContact C-N 3.33Å; H117-L119 PolarHBondContact O-N 3.04Å; H117-T120 WeakPolarHBondContact O-CB 3.49Å; H117-T120 PolarHBondContact O-N 3.47Å; H117-T120 VanDerWaalsContact O-N 3.14Å; H117-E121 PolarHBondContact O-N 3.44Å
118	I	93.6	Very high	94	Very high	15 Å²	15	33.4 Å²	33.4	8%	0.077	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-47.5	178.1	-65.2	167.1	0	0	0	110.3	L63 T65 E114 T120 E121 Y122 L483	L63-I118 HydrophobicContact CD2-CD1 3.89Å; T65-I118 HydrophobicContact CG2-CD1 3.71Å; E114-I118 HydrophobicContact CG-CD1 3.67Å; E114-I118 HydrophobicContact CG-CG1 4.33Å; E114-I118 WeakPolarHBondContact O-CG1 3.39Å; E114-I118 PolarHBondContact O-N 2.78Å; I118-T120 VanDerWaalsContact C-N 3.27Å; I118-T120 PolarHBondContact O-N 3Å; I118-E121 WeakPolarHBondContact O-CB 3.47Å; I118-E121 PolarHBondContact O-N 3.47Å; I118-E121 VanDerWaalsContact O-N 3.15Å; I118-Y122 HydrophobicContact CG2-CD2 3.7Å; I118-Y122 HydrophobicContact CG2-CE2 3.77Å; I118-Y122 WeakPolarHBondContact O-CD2 3.5Å; I118-Y122 PolarHBondContact O-N 3.12Å; I118-L483 HydrophobicContact CB-CD1 4.1Å; I118-L483 HydrophobicContact CG2-CD1 3.61Å
119	L	93.7	Very high	94.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.6	-42.4	177.5	174.8	140.3	0	0	0	111.7	C13 L16 S115 H117 A123 L483 Q484 I487 I502	C13-L119 HydrophobicContact CB-CD2 4.4Å; C13-L119 WeakPolarHBondContact SG-CD2 3.43Å; L16-L119 HydrophobicContact CD2-CD2 3.88Å; S115-L119 VanDerWaalsContact O-CB 3.23Å; S115-L119 WeakPolarHBondContact O-CB 3.12Å; S115-L119 PolarHBondContact O-N 3.31Å; H117-L119 PolarHBondContact O-N 3.04Å; L119-A123 WeakPolarHBondContact O-CB 3.48Å; L119-A123 PolarHBondContact O-N 3.38Å; L119-L483 HydrophobicContact CB-CB 4.23Å; L119-L483 HydrophobicContact CB-CD1 4.26Å; L119-L483 HydrophobicContact CD1-CB 3.94Å; L119-Q484 HydrophobicContact CD1-CB 3.78Å; L119-I487 HydrophobicContact CB-CD1 4.35Å; L119-I487 HydrophobicContact CD1-CD1 4.22Å; L119-I502 HydrophobicContact CD2-CG2 4.45Å
120	T	93.4	Very high	94	Very high	18 Å²	18	33.4 Å²	33.4	11%	0.11	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-44.5	176.7	-56.3	0	0	0	0	111	C13 F14 A116 H117 I118 Y122 A123 Q124	C13-T120 PolarHBondContact O-OG1 3.12Å; F14-T120 HydrophobicContact CD1-CG2 4.35Å; A116-T120 WeakPolarHBondContact O-CB 3.33Å; A116-T120 PolarHBondContact O-N 2.92Å; A116-T120 PolarHBondContact O-OG1 3.31Å; H117-T120 WeakPolarHBondContact O-CB 3.49Å; H117-T120 PolarHBondContact O-N 3.47Å; H117-T120 VanDerWaalsContact O-N 3.14Å; I118-T120 VanDerWaalsContact C-N 3.27Å; I118-T120 PolarHBondContact O-N 3Å; T120-Y122 PolarHBondContact O-N 3.4Å; T120-A123 PolarHBondContact O-N 2.75Å; T120-Q124 HydrophobicContact CG2-CB 4.4Å; T120-Q124 WeakPolarHBondContact O-CB 3.35Å; T120-Q124 PolarHBondContact O-N 3.27Å
121	E	92.8	Very high	93.9	Very high	94 Å²	94	36.6 Å²	36.6	44%	0.439	18%	0.181	S	C	.	.	H	α-helix	trans	-57.6	-50.1	179.8	-172.4	177	-176	0	0	111.8	H117 I118 Y125 E126	H117-E121 PolarHBondContact O-N 3.44Å; I118-E121 WeakPolarHBondContact O-CB 3.47Å; I118-E121 PolarHBondContact O-N 3.47Å; I118-E121 VanDerWaalsContact O-N 3.15Å; E121-Y125 WeakPolarHBondContact O-CB 3.37Å; E121-Y125 PolarHBondContact O-N 2.87Å; E121-E126 PolarHBondContact O-N 3.19Å; E121-E126 VanDerWaalsContact O-N 3.13Å
122	Y	92.5	Very high	93.7	Very high	50 Å²	50	44.2 Å²	44.2	20%	0.196	21%	0.214	C	C	.	.	I	π-helix	trans	-68.7	-43.5	179.6	-83.8	-91.2	0	0	0	113	I118 T120 E126 I127 C476 V480	I118-Y122 HydrophobicContact CG2-CD2 3.7Å; I118-Y122 HydrophobicContact CG2-CE2 3.77Å; I118-Y122 WeakPolarHBondContact O-CD2 3.5Å; I118-Y122 PolarHBondContact O-N 3.12Å; T120-Y122 PolarHBondContact O-N 3.4Å; Y122-E126 HydrophobicContact CD1-CB 4.05Å; Y122-E126 HydrophobicContact CD1-CG 4.05Å; Y122-E126 HydrophobicContact CE1-CG 4.16Å; Y122-E126 HydrophobicContact CG-CB 4.45Å; Y122-I127 WeakPolarHBondContact O-CB 3.46Å; Y122-I127 WeakPolarHBondContact O-CG1 3.24Å; Y122-I127 PolarHBondContact O-N 3.28Å; Y122-C476 HydrophobicContact CD1-CB 3.83Å; Y122-C476 HydrophobicContact CE1-CB 4.15Å; Y122-V480 HydrophobicContact CG-CG2 4.49Å
123	A	92.6	Very high	93.6	Very high	10 Å²	10	48.8 Å²	48.8	8%	0.083	24%	0.236	C	C	.	.	I	π-helix	trans	-72.7	-35.2	-177	0	0	0	0	0	112.8	F14 L119 T120 P128 V480	F14-A123 HydrophobicContact CE1-CB 4.37Å; L119-A123 WeakPolarHBondContact O-CB 3.48Å; L119-A123 PolarHBondContact O-N 3.38Å; T120-A123 PolarHBondContact O-N 2.75Å; A123-P128 WeakPolarHBondContact O-CG 3.4Å; A123-V480 HydrophobicContact CB-CG1 4.39Å
124	Q	90.7	Very high	93.3	Very high	59 Å²	59	49.2 Å²	49.2	28%	0.276	24%	0.238	S	C	.	.	I	π-helix	trans	-93.2	-32.3	-173.9	-167.6	174.3	-9.8	0	0	113.4	F14 T120 P128	F14-Q124 HydrophobicContact CD1-CB 3.74Å; F14-Q124 HydrophobicContact CD1-CG 3.96Å; F14-Q124 HydrophobicContact CD2-CG 4.17Å; F14-Q124 HydrophobicContact CE1-CB 3.52Å; F14-Q124 HydrophobicContact CE1-CG 3.86Å; F14-Q124 HydrophobicContact CE2-CG 4.06Å; F14-Q124 HydrophobicContact CG-CB 4.42Å; F14-Q124 HydrophobicContact CG-CG 4.16Å; F14-Q124 HydrophobicContact CZ-CB 3.99Å; F14-Q124 HydrophobicContact CZ-CG 3.92Å; T120-Q124 HydrophobicContact CG2-CB 4.4Å; T120-Q124 WeakPolarHBondContact O-CB 3.35Å; T120-Q124 PolarHBondContact O-N 3.27Å; Q124-P128 WeakPolarHBondContact O-CG 3.4Å
125	Y	92.6	Very high	93	Very high	143 Å²	143	51.3 Å²	51.3	56%	0.561	26%	0.256	S	S	*	.	I	π-helix	trans	-121.7	-58.2	-170.5	-55.6	-73.1	0	0	0	112.7	E121 A129	E121-Y125 WeakPolarHBondContact O-CB 3.37Å; E121-Y125 PolarHBondContact O-N 2.87Å; Y125-A129 WeakPolarHBondContact O-CB 3.48Å; Y125-A129 PolarHBondContact O-N 3.23Å
126	E	92.3	Very high	92.7	Very high	86 Å²	86	57.8 Å²	57.8	40%	0.402	29%	0.285	S	S	.	.	I	π-helix	trans	-63.9	-53.5	-170.5	-168.3	62.7	-160.6	0	0	112.3	E121 Y122 A129 L130	E121-E126 PolarHBondContact O-N 3.19Å; E121-E126 VanDerWaalsContact O-N 3.13Å; Y122-E126 HydrophobicContact CD1-CB 4.05Å; Y122-E126 HydrophobicContact CD1-CG 4.05Å; Y122-E126 HydrophobicContact CE1-CG 4.16Å; Y122-E126 HydrophobicContact CG-CB 4.45Å; E126-A129 PolarHBondContact O-N 3.05Å; E126-L130 HydrophobicContact CG-CD1 4.27Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.32Å
127	I	92.4	Very high	92.3	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-67.2	-44.8	-177.4	-64.5	165.7	0	0	0	111.6	Y122 A129 L130 K131 V473 C476 V480 L507	Y122-I127 WeakPolarHBondContact O-CB 3.46Å; Y122-I127 WeakPolarHBondContact O-CG1 3.24Å; Y122-I127 PolarHBondContact O-N 3.28Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 3.03Å; I127-L130 PolarHBondContact O-N 3.4Å; I127-K131 HydrophobicContact CG2-CD 4.08Å; I127-K131 HydrophobicContact CG2-CG 4.3Å; I127-K131 WeakPolarHBondContact O-CB 3.37Å; I127-K131 WeakPolarHBondContact O-CG 3.41Å; I127-K131 PolarHBondContact O-N 2.99Å; I127-V473 HydrophobicContact CG2-CG1 4.15Å; I127-C476 HydrophobicContact CD1-CB 3.71Å; I127-C476 HydrophobicContact CG1-CB 3.53Å; I127-V480 HydrophobicContact CD1-CG2 3.82Å; I127-L507 HydrophobicContact CB-CD2 3.95Å; I127-L507 HydrophobicContact CD1-CD1 3.93Å; I127-L507 HydrophobicContact CD1-CD2 3.33Å; I127-L507 HydrophobicContact CD1-CG 4.24Å; I127-L507 HydrophobicContact CG1-CD2 4.18Å; I127-L507 HydrophobicContact CG2-CD2 3.47Å; I127-L507 VanDerWaalsContact CG2-CD2 3.47Å
128	P	92.7	Very high	91.8	Very high	59 Å²	59	56.4 Å²	56.4	38%	0.383	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-38.5	172.5	-29	39.1	0	0	0	113.8	A123 Q124 K131 K132	A123-P128 WeakPolarHBondContact O-CG 3.4Å; Q124-P128 WeakPolarHBondContact O-CG 3.4Å; P128-K131 PolarHBondContact O-N 3.38Å; P128-K132 WeakPolarHBondContact O-CB 3.21Å; P128-K132 PolarHBondContact O-N 3.15Å
129	A	94.6	Very high	91.3	Very high	56 Å²	56	62.9 Å²	62.9	46%	0.463	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-47.5	176.9	0	0	0	0	0	111.7	Y125 E126 I127 K131 K132 Q133	Y125-A129 WeakPolarHBondContact O-CB 3.48Å; Y125-A129 PolarHBondContact O-N 3.23Å; E126-A129 PolarHBondContact O-N 3.05Å; I127-A129 VanDerWaalsContact C-N 3.31Å; I127-A129 PolarHBondContact O-N 3.03Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 2.85Å; A129-K132 WeakPolarHBondContact O-CB 3.35Å; A129-K132 PolarHBondContact O-N 2.99Å; A129-Q133 PolarHBondContact O-N 3.46Å
130	L	94.2	Very high	90.5	Very high	13 Å²	13	66.5 Å²	66.5	7%	0.068	33%	0.328	C	S	.	.	H	α-helix	trans	-60.4	-43	175.2	-69.5	171.2	0	0	0	111.7	E126 I127 K132 Q133 I134 L469 K472 V473	E126-L130 HydrophobicContact CG-CD1 4.27Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.32Å; I127-L130 PolarHBondContact O-N 3.4Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-K132 PolarHBondContact O-N 3.06Å; L130-Q133 WeakPolarHBondContact O-CB 3.48Å; L130-Q133 PolarHBondContact O-N 3.2Å; L130-I134 WeakPolarHBondContact O-CG1 3.2Å; L130-I134 PolarHBondContact O-N 3.21Å; L130-L469 HydrophobicContact CD2-CD2 3.8Å; L130-K472 HydrophobicContact CD1-CB 4.16Å; L130-V473 HydrophobicContact CB-CG2 3.55Å; L130-V473 HydrophobicContact CD1-CG2 4.09Å; L130-V473 HydrophobicContact CG-CG2 4.46Å
131	K	92.7	Very high	89.4	Confident	70 Å²	70	65.9 Å²	65.9	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-40.1	175.4	-77	-179.2	172.3	-170.1	0	112.4	I127 P128 A129 Q133 I134 A135 V473 A508	I127-K131 HydrophobicContact CG2-CD 4.08Å; I127-K131 HydrophobicContact CG2-CG 4.3Å; I127-K131 WeakPolarHBondContact O-CB 3.37Å; I127-K131 WeakPolarHBondContact O-CG 3.41Å; I127-K131 PolarHBondContact O-N 2.99Å; P128-K131 PolarHBondContact O-N 3.38Å; A129-K131 VanDerWaalsContact C-N 3.34Å; A129-K131 PolarHBondContact O-N 2.85Å; K131-Q133 VanDerWaalsContact C-N 3.33Å; K131-I134 PolarHBondContact O-N 3.15Å; K131-A135 WeakPolarHBondContact O-CB 3.26Å; K131-A135 PolarHBondContact O-N 2.97Å; K131-V473 HydrophobicContact CG-CG2 4.46Å; K131-A508 PolarHBondContact NZ-O 2.83Å
132	K	93.7	Very high	88.2	Confident	166 Å²	166	64.1 Å²	64.1	72%	0.722	32%	0.316	S	S	*	.	H	α-helix	trans	-64.7	-39.5	175.1	-172.9	178.7	-179	-178.8	0	111.3	P128 A129 L130 A135 K136	P128-K132 WeakPolarHBondContact O-CB 3.21Å; P128-K132 PolarHBondContact O-N 3.15Å; A129-K132 WeakPolarHBondContact O-CB 3.35Å; A129-K132 PolarHBondContact O-N 2.99Å; L130-K132 VanDerWaalsContact C-N 3.34Å; L130-K132 PolarHBondContact O-N 3.06Å; K132-A135 PolarHBondContact O-N 3.38Å; K132-K136 PolarHBondContact O-N 3.2Å
133	Q	93.2	Very high	86.8	Confident	96 Å²	96	62 Å²	62	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-44.3	175.3	-170.6	178.1	3.5	0	0	111.6	A129 L130 K131 K136 L137 L469	A129-Q133 PolarHBondContact O-N 3.46Å; L130-Q133 WeakPolarHBondContact O-CB 3.48Å; L130-Q133 PolarHBondContact O-N 3.2Å; K131-Q133 VanDerWaalsContact C-N 3.33Å; Q133-K136 PolarHBondContact O-N 3.34Å; Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.36Å; Q133-L469 HydrophobicContact CB-CD1 4.28Å; Q133-L469 HydrophobicContact CG-CD1 3.71Å
134	I	91.2	Very high	85.3	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.041	32%	0.32	C	S	.	.	H	α-helix	trans	-57.6	-51.4	173.7	-69.5	162.7	0	0	0	109.9	L130 K131 K136 L137 E138 I466 L469 R470 V473	L130-I134 WeakPolarHBondContact O-CG1 3.2Å; L130-I134 PolarHBondContact O-N 3.21Å; K131-I134 PolarHBondContact O-N 3.15Å; I134-K136 VanDerWaalsContact C-N 3.27Å; I134-K136 PolarHBondContact O-N 3.47Å; I134-L137 PolarHBondContact O-N 3.14Å; I134-E138 HydrophobicContact CG2-CG 3.98Å; I134-E138 WeakPolarHBondContact O-CB 3.42Å; I134-E138 VanDerWaalsContact O-CG 3.3Å; I134-E138 WeakPolarHBondContact O-CG 3.38Å; I134-E138 PolarHBondContact O-N 2.72Å; I134-I466 HydrophobicContact CG2-CG2 4.29Å; I134-L469 HydrophobicContact CD1-CB 3.93Å; I134-L469 HydrophobicContact CG1-CB 3.55Å; I134-L469 HydrophobicContact CG1-CD1 4.1Å; I134-L469 HydrophobicContact CG1-CG 4.48Å; I134-R470 HydrophobicContact CD1-CG 3.83Å; I134-R470 HydrophobicContact CG1-CG 4.48Å; I134-V473 HydrophobicContact CD1-CG2 3.75Å
135	A	89	Confident	84	Confident	51 Å²	51	62 Å²	62	42%	0.421	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-39.8	-179.6	0	0	0	0	0	112.5	K131 K132 E138 E139	K131-A135 WeakPolarHBondContact O-CB 3.26Å; K131-A135 PolarHBondContact O-N 2.97Å; K132-A135 PolarHBondContact O-N 3.38Å; A135-E138 PolarHBondContact O-N 3.45Å; A135-E139 WeakPolarHBondContact O-CB 3.3Å; A135-E139 PolarHBondContact O-N 3.09Å
136	K	89.5	Confident	82.2	Confident	137 Å²	137	61.1 Å²	61.1	60%	0.596	31%	0.31	S	S	*	.	H	α-helix	trans	-65.1	-43.7	175.5	-174.6	178.3	-179.2	-178.9	0	112.2	K132 Q133 I134 E138 E139 L140	K132-K136 PolarHBondContact O-N 3.2Å; Q133-K136 PolarHBondContact O-N 3.34Å; I134-K136 VanDerWaalsContact C-N 3.27Å; I134-K136 PolarHBondContact O-N 3.47Å; K136-E138 VanDerWaalsContact C-N 3.35Å; K136-E139 PolarHBondContact O-N 3.12Å; K136-L140 HydrophobicContact CG-CD1 4.4Å; K136-L140 WeakPolarHBondContact O-CG 3.45Å; K136-L140 PolarHBondContact O-N 3.3Å
137	L	86.6	Confident	80.4	Confident	17 Å²	17	62.5 Å²	62.5	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-68.5	-36.6	177.2	-67.5	178	0	0	0	111.7	Q133 I134 L140 C141 L462 Q465 I466 L469	Q133-L137 WeakPolarHBondContact O-CG 3.43Å; Q133-L137 PolarHBondContact O-N 3.36Å; I134-L137 PolarHBondContact O-N 3.14Å; L137-L140 HydrophobicContact CD2-CD1 4.45Å; L137-L140 PolarHBondContact O-N 3.18Å; L137-C141 WeakPolarHBondContact O-CB 3.4Å; L137-C141 PolarHBondContact O-N 2.94Å; L137-L462 HydrophobicContact CD2-CD2 3.9Å; L137-Q465 HydrophobicContact CD1-CB 3.98Å; L137-I466 HydrophobicContact CB-CD1 4.01Å; L137-I466 HydrophobicContact CB-CG1 3.64Å; L137-I466 HydrophobicContact CD1-CG1 4.19Å; L137-L469 HydrophobicContact CD1-CD1 3.55Å
138	E	84.9	Confident	78.5	Confident	36 Å²	36	69 Å²	69	17%	0.168	34%	0.344	C	S	.	.	H	α-helix	trans	-65	-39.8	174.9	-74.3	-174.6	141.4	0	0	112.1	I134 A135 K136 C141 Q142 V143 F145 I466 R470	I134-E138 HydrophobicContact CG2-CG 3.98Å; I134-E138 WeakPolarHBondContact O-CB 3.42Å; I134-E138 VanDerWaalsContact O-CG 3.3Å; I134-E138 WeakPolarHBondContact O-CG 3.38Å; I134-E138 PolarHBondContact O-N 2.72Å; A135-E138 PolarHBondContact O-N 3.45Å; K136-E138 VanDerWaalsContact C-N 3.35Å; E138-C141 PolarHBondContact O-N 3.17Å; E138-Q142 CarbonylContact O-C 3.59Å; E138-Q142 WeakPolarHBondContact O-CA 3.04Å; E138-Q142 PolarHBondContact O-N 3.38Å; E138-V143 HydrophobicContact CB-CG2 4.44Å; E138-V143 HydrophobicContact CG-CG2 4.18Å; E138-V143 PolarHBondContact O-N 3.1Å; E138-V143 VanDerWaalsContact O-N 3.08Å; E138-F145 HydrophobicContact CG-CD2 4.45Å; E138-F145 VanDerWaalsContact OE1-CD2 3.29Å; E138-F145 WeakPolarHBondContact OE1-CD2 3.34Å; E138-I466 HydrophobicContact CG-CD1 3.97Å; E138-I466 HydrophobicContact CG-CG1 4.47Å; E138-I466 HydrophobicContact CG-CG2 4.43Å; E138-R470 IonicContact OE1-CZ 2.91Å; E138-R470 IonicContact OE1-NE 2.64Å; E138-R470 IonicContact OE1-NH2 3.21Å; E138-R470 PolarHBondContact OE1-NH2 2.73Å; E138-R470 IonicContact OE2-NH2 3.81Å
139	E	82.3	Confident	76.9	Confident	151 Å²	151	71.4 Å²	71.4	71%	0.706	36%	0.362	S	S	*	.	H	α-helix	trans	-62.4	-48.2	172	-177.3	178.9	-171	0	0	111.3	A135 K136 C141 Q142	A135-E139 WeakPolarHBondContact O-CB 3.3Å; A135-E139 PolarHBondContact O-N 3.09Å; K136-E139 PolarHBondContact O-N 3.12Å; E139-C141 VanDerWaalsContact C-N 3.33Å; E139-C141 PolarHBondContact O-N 3.28Å; E139-Q142 PolarHBondContact O-N 3.36Å
140	L	77.3	Confident	75	Confident	76 Å²	76	71.4 Å²	71.4	40%	0.398	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-37.9	177.7	-74.6	170.7	0	0	0	113	K136 L137	K136-L140 HydrophobicContact CG-CD1 4.4Å; K136-L140 WeakPolarHBondContact O-CG 3.45Å; K136-L140 PolarHBondContact O-N 3.3Å; L137-L140 HydrophobicContact CD2-CD1 4.45Å; L137-L140 PolarHBondContact O-N 3.18Å
141	C	70.5	Confident	73.1	Confident	4 Å²	4	74.1 Å²	74.1	3%	0.027	39%	0.387	C	S	.	.	H	α-helix	trans	-87.3	-10.8	-179.3	-169.1	0	0	0	0	112.1	L137 E138 E139 V143 H459 L462 I466	L137-C141 WeakPolarHBondContact O-CB 3.4Å; L137-C141 PolarHBondContact O-N 2.94Å; E138-C141 PolarHBondContact O-N 3.17Å; E139-C141 VanDerWaalsContact C-N 3.33Å; E139-C141 PolarHBondContact O-N 3.28Å; C141-V143 HydrophobicContact CB-CG1 4.25Å; C141-V143 HydrophobicContact CB-CG2 3.77Å; C141-V143 PolarHBondContact O-N 3.12Å; C141-V143 WeakPolarHBondContact SG-CG1 3.37Å; C141-H459 VanDerWaalsContact SG-CD2 3.57Å; C141-L462 HydrophobicContact CB-CB 4.08Å; C141-L462 HydrophobicContact CB-CD1 4.01Å; C141-I466 HydrophobicContact CB-CD1 4.32Å
142	Q	66.3	Low	71.3	Confident	58 Å²	58	74.4 Å²	74.4	27%	0.271	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	38.2	-169.2	-56.8	-171.4	-23.1	0	0	112.8	E138 E139 I157 D160	E138-Q142 CarbonylContact O-C 3.59Å; E138-Q142 WeakPolarHBondContact O-CA 3.04Å; E138-Q142 PolarHBondContact O-N 3.38Å; E139-Q142 PolarHBondContact O-N 3.36Å; Q142-I157 VanDerWaalsContact CB-O 3.3Å; Q142-I157 WeakPolarHBondContact CB-O 3.26Å; Q142-I157 CarbonylContact O-C 3.56Å; Q142-I157 WeakPolarHBondContact O-CA 3.46Å; Q142-I157 WeakPolarHBondContact O-CB 3.21Å; Q142-I157 PolarHBondContact O-N 3.42Å; Q142-D160 VanDerWaalsContact NE2-CG 3.31Å; Q142-D160 PolarHBondContact NE2-OD2 3.41Å
143	V	63.8	Low	69.3	Low	6 Å²	6	71.9 Å²	71.9	4%	0.036	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.9	178	-68.9	0	0	0	0	109.5	E138 C141 F145 I154 I466	E138-V143 HydrophobicContact CB-CG2 4.44Å; E138-V143 HydrophobicContact CG-CG2 4.18Å; E138-V143 PolarHBondContact O-N 3.1Å; E138-V143 VanDerWaalsContact O-N 3.08Å; C141-V143 HydrophobicContact CB-CG1 4.25Å; C141-V143 HydrophobicContact CB-CG2 3.77Å; C141-V143 PolarHBondContact O-N 3.12Å; C141-V143 WeakPolarHBondContact SG-CG1 3.37Å; V143-F145 HydrophobicContact CB-CD2 4.42Å; V143-F145 HydrophobicContact CB-CE2 4.22Å; V143-F145 HydrophobicContact CG2-CD2 4.01Å; V143-F145 HydrophobicContact CG2-CE2 3.66Å; V143-I154 HydrophobicContact CG1-CG2 4.45Å; V143-I466 HydrophobicContact CG2-CD1 3.57Å
144	S	61.1	Low	67.4	Low	47 Å²	47	71.5 Å²	71.5	33%	0.329	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	109.6	169.6	-151.9	0	0	0	0	108.1	F146 K155	S144-F146 PolarHBondContact O-N 3.06Å; S144-K155 CarbonylContact C-O 3.53Å; S144-K155 PolarHBondContact N-O 3.31Å; S144-K155 CarbonylContact O-C 3.52Å; S144-K155 WeakPolarHBondContact O-CA 3.36Å; S144-K155 WeakPolarHBondContact O-CB 3.3Å; S144-K155 PolarHBondContact O-N 3.34Å
145	F	62.5	Low	65.7	Low	20 Å²	20	78 Å²	78	9%	0.088	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.9	173.2	-80.5	-106.1	0	0	0	109	E138 V143 F152 I154 I466 V467	E138-F145 HydrophobicContact CG-CD2 4.45Å; E138-F145 VanDerWaalsContact OE1-CD2 3.29Å; E138-F145 WeakPolarHBondContact OE1-CD2 3.34Å; V143-F145 HydrophobicContact CB-CD2 4.42Å; V143-F145 HydrophobicContact CB-CE2 4.22Å; V143-F145 HydrophobicContact CG2-CD2 4.01Å; V143-F145 HydrophobicContact CG2-CE2 3.66Å; F145-F152 HydrophobicContact CB-CD1 4.27Å; F145-F152 HydrophobicContact CD1-CB 4.23Å; F145-F152 HydrophobicContact CD1-CD1 4.11Å; F145-F152 HydrophobicContact CD1-CG 4.49Å; F145-I154 HydrophobicContact CD1-CG1 3.87Å; F145-I154 HydrophobicContact CE1-CD1 3.88Å; F145-I154 HydrophobicContact CE1-CG1 3.31Å; F145-I154 HydrophobicContact CE2-CG1 4.31Å; F145-I154 HydrophobicContact CZ-CD1 3.83Å; F145-I154 HydrophobicContact CZ-CG1 3.55Å; F145-I466 HydrophobicContact CD2-CG2 3.86Å; F145-I466 HydrophobicContact CE1-CG2 4.29Å; F145-I466 HydrophobicContact CE2-CB 4.07Å; F145-I466 HydrophobicContact CE2-CD1 4.05Å; F145-I466 HydrophobicContact CE2-CG2 3.36Å; F145-I466 HydrophobicContact CZ-CB 4.17Å; F145-I466 HydrophobicContact CZ-CG2 3.6Å; F145-V467 HydrophobicContact CE1-CG2 4.22Å; F145-V467 HydrophobicContact CZ-CG2 4.38Å
146	F	54.7	Low	64	Low	126 Å²	126	76.6 Å²	76.6	55%	0.553	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.1	171.4	-118.6	-94	0	0	0	109	S144 F148 F153	S144-F146 PolarHBondContact O-N 3.06Å; F146-F148 PolarHBondContact O-N 3.38Å; F146-F153 PolarHBondContact N-O 2.91Å; F146-F153 PolarHBondContact O-N 3.49Å
147	F	54.4	Low	62.1	Low	115 Å²	115	74.4 Å²	74.4	50%	0.504	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	110.1	165.6	-171.4	-102	0	0	0	108.2	G150 F152	F147-G150 VanDerWaalsContact CZ-CA 3.48Å; F147-F152 HydrophobicContact CD2-CD1 4.47Å; F147-F152 HydrophobicContact CD2-CE1 4.26Å; F147-F152 HydrophobicContact CD2-CE2 4.4Å; F147-F152 HydrophobicContact CD2-CZ 4.24Å
148	F	53.5	Low	60.6	Low	137 Å²	137	77.4 Å²	77.4	60%	0.601	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.8	125.5	175.4	-176	-98.1	0	0	0	109.7	F146 G150 C151 F153	F146-F148 PolarHBondContact O-N 3.38Å; F148-G150 VanDerWaalsContact C-N 3.3Å; F148-G150 PolarHBondContact O-N 3Å; F148-C151 PolarHBondContact N-O 3.32Å; F148-C151 PolarHBondContact O-N 3.45Å; F148-F153 HydrophobicContact CB-CD2 3.82Å; F148-F153 HydrophobicContact CB-CE2 4.05Å; F148-F153 HydrophobicContact CD1-CE2 4.13Å; F148-F153 WeakPolarHBondContact O-CE2 3.47Å
149	S	58.9	Low	59.5	Low	109 Å²	109	83.1 Å²	83.1	76%	0.762	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.8	175.2	-167.7	0	0	0	0	115.4	C151	S149-C151 VanDerWaalsContact C-N 3.32Å; S149-C151 PolarHBondContact O-N 2.88Å
150	G	54.8	Low	58.8	Low	57 Å²	57	78.8 Å²	78.8	59%	0.588	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-5.5	178.2	0	0	0	0	0	115	F147 F148	F147-G150 VanDerWaalsContact CZ-CA 3.48Å; F148-G150 VanDerWaalsContact C-N 3.3Å; F148-G150 PolarHBondContact O-N 3Å
151	C	53.3	Low	58.5	Low	70 Å²	70	77.2 Å²	77.2	47%	0.473	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.8	178.6	-65.5	0	0	0	0	111.2	F148 S149 F153	F148-C151 PolarHBondContact N-O 3.32Å; F148-C151 PolarHBondContact O-N 3.45Å; S149-C151 VanDerWaalsContact C-N 3.32Å; S149-C151 PolarHBondContact O-N 2.88Å; C151-F153 HydrophobicContact CB-CD2 4.11Å; C151-F153 HydrophobicContact CB-CE2 3.65Å; C151-F153 HydrophobicContact CB-CZ 4.22Å; C151-F153 PolarHBondContact O-N 3.49Å
152	F	56.7	Low	58.7	Low	76 Å²	76	80.8 Å²	80.8	33%	0.333	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	109.9	164.7	-81.7	-72.1	0	0	0	108.8	F145 F147 R470	F145-F152 HydrophobicContact CB-CD1 4.27Å; F145-F152 HydrophobicContact CD1-CB 4.23Å; F145-F152 HydrophobicContact CD1-CD1 4.11Å; F145-F152 HydrophobicContact CD1-CG 4.49Å; F147-F152 HydrophobicContact CD2-CD1 4.47Å; F147-F152 HydrophobicContact CD2-CE1 4.26Å; F147-F152 HydrophobicContact CD2-CE2 4.4Å; F147-F152 HydrophobicContact CD2-CZ 4.24Å; F152-R470 HydrophobicContact CE2-CB 4.42Å; F152-R470 HydrophobicContact CZ-CB 4.37Å; F152-R470 HydrophobicContact CZ-CG 4.45Å
153	F	51	Low	59.5	Low	112 Å²	112	83.6 Å²	83.6	49%	0.491	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120	168.4	-72.1	-87.7	0	0	0	108.7	F146 F148 C151 K155	F146-F153 PolarHBondContact N-O 2.91Å; F146-F153 PolarHBondContact O-N 3.49Å; F148-F153 HydrophobicContact CB-CD2 3.82Å; F148-F153 HydrophobicContact CB-CE2 4.05Å; F148-F153 HydrophobicContact CD1-CE2 4.13Å; F148-F153 WeakPolarHBondContact O-CE2 3.47Å; C151-F153 HydrophobicContact CB-CD2 4.11Å; C151-F153 HydrophobicContact CB-CE2 3.65Å; C151-F153 HydrophobicContact CB-CZ 4.22Å; C151-F153 PolarHBondContact O-N 3.49Å; F153-K155 PolarHBondContact O-N 2.87Å; F153-K155 VanDerWaalsContact O-N 3.14Å
154	I	53.4	Low	60.4	Low	89 Å²	89	87 Å²	87	46%	0.456	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	105.1	170.2	-60.4	174	0	0	0	106.9	V143 F145	V143-I154 HydrophobicContact CG1-CG2 4.45Å; F145-I154 HydrophobicContact CD1-CG1 3.87Å; F145-I154 HydrophobicContact CE1-CD1 3.88Å; F145-I154 HydrophobicContact CE1-CG1 3.31Å; F145-I154 HydrophobicContact CE2-CG1 4.31Å; F145-I154 HydrophobicContact CZ-CD1 3.83Å; F145-I154 HydrophobicContact CZ-CG1 3.55Å
155	K	55	Low	61.7	Low	144 Å²	144	86.8 Å²	86.8	63%	0.626	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	87.2	164.3	-169.8	177.4	-178.4	177.9	0	107	S144 F153 I157	S144-K155 CarbonylContact C-O 3.53Å; S144-K155 PolarHBondContact N-O 3.31Å; S144-K155 CarbonylContact O-C 3.52Å; S144-K155 WeakPolarHBondContact O-CA 3.36Å; S144-K155 WeakPolarHBondContact O-CB 3.3Å; S144-K155 PolarHBondContact O-N 3.34Å; F153-K155 PolarHBondContact O-N 2.87Å; F153-K155 VanDerWaalsContact O-N 3.14Å; K155-I157 PolarHBondContact O-N 2.97Å
156	S	53.1	Low	62.9	Low	22 Å²	22	91.4 Å²	91.4	15%	0.154	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	125	175.7	174.7	0	0	0	0	110	F158	S156-F158 PolarHBondContact O-N 3.32Å; S156-F158 VanDerWaalsContact O-N 3.12Å; S156-F158 WeakPolarHBondContact OG-CD1 3.28Å; S156-F158 WeakPolarHBondContact OG-CD2 3.26Å; S156-F158 WeakPolarHBondContact OG-CE1 3.45Å; S156-F158 VanDerWaalsContact OG-CE2 3.25Å; S156-F158 WeakPolarHBondContact OG-CE2 3.33Å; S156-F158 WeakPolarHBondContact OG-CG 3.24Å; S156-F158 WeakPolarHBondContact OG-CZ 3.36Å; S156-F158 PolarHBondContact OG-N 3.45Å
157	I	50.2	Low	64.6	Low	91 Å²	91	89.2 Å²	89.2	47%	0.467	44%	0.443	S	S	.	.			trans	-86.4	68.9	166.8	-57	177.4	0	0	0	104.8	Q142 K155 K159	Q142-I157 VanDerWaalsContact CB-O 3.3Å; Q142-I157 WeakPolarHBondContact CB-O 3.26Å; Q142-I157 CarbonylContact O-C 3.56Å; Q142-I157 WeakPolarHBondContact O-CA 3.46Å; Q142-I157 WeakPolarHBondContact O-CB 3.21Å; Q142-I157 PolarHBondContact O-N 3.42Å; K155-I157 PolarHBondContact O-N 2.97Å; I157-K159 PolarHBondContact O-N 2.88Å
158	F	55.1	Low	66.4	Low	80 Å²	80	84.3 Å²	84.3	35%	0.351	42%	0.423	S	S	.	.			trans	-60.8	10.5	-168.9	-100	-56.8	0	0	0	116.8	S156 D160 E162	S156-F158 PolarHBondContact O-N 3.32Å; S156-F158 VanDerWaalsContact O-N 3.12Å; S156-F158 WeakPolarHBondContact OG-CD1 3.28Å; S156-F158 WeakPolarHBondContact OG-CD2 3.26Å; S156-F158 WeakPolarHBondContact OG-CE1 3.45Å; S156-F158 VanDerWaalsContact OG-CE2 3.25Å; S156-F158 WeakPolarHBondContact OG-CE2 3.33Å; S156-F158 WeakPolarHBondContact OG-CG 3.24Å; S156-F158 WeakPolarHBondContact OG-CZ 3.36Å; S156-F158 PolarHBondContact OG-N 3.45Å; F158-D160 PolarHBondContact O-N 3.37Å; F158-E162 HydrophobicContact CB-CB 4.3Å; F158-E162 HydrophobicContact CB-CG 3.57Å; F158-E162 VanDerWaalsContact CB-OE1 3.31Å; F158-E162 WeakPolarHBondContact CB-OE1 3.29Å; F158-E162 HydrophobicContact CD1-CG 3.6Å; F158-E162 VanDerWaalsContact CD2-OE1 3.32Å; F158-E162 WeakPolarHBondContact CD2-OE1 3.5Å; F158-E162 HydrophobicContact CE1-CG 4.46Å; F158-E162 HydrophobicContact CG-CG 3.67Å; F158-E162 WeakPolarHBondContact CG-OE1 3.21Å; F158-E162 WeakPolarHBondContact O-CB 3.33Å; F158-E162 PolarHBondContact O-N 2.93Å
159	K	61.4	Low	68.4	Low	155 Å²	155	82.3 Å²	82.3	67%	0.674	42%	0.416	S	S	*	.	H	α-helix	trans	-64.1	-43.1	-159.7	-76.9	-172.9	179.2	180	0	114.3	I157 R163	I157-K159 PolarHBondContact O-N 2.88Å; K159-R163 WeakPolarHBondContact O-CB 3.4Å; K159-R163 PolarHBondContact O-N 3.48Å; K159-R163 VanDerWaalsContact O-N 3.14Å
160	D	67.1	Low	70.1	Confident	61 Å²	61	81.1 Å²	81.1	33%	0.326	40%	0.4	S	S	.	.	H	α-helix	trans	-89.1	-38.2	-174.5	-63.1	-16.8	0	0	0	112.9	Q142 F158 R163 K164	Q142-D160 VanDerWaalsContact NE2-CG 3.31Å; Q142-D160 PolarHBondContact NE2-OD2 3.41Å; F158-D160 PolarHBondContact O-N 3.37Å; D160-R163 PolarHBondContact O-N 3.44Å; D160-R163 IonicContact OD1-CZ 3.59Å; D160-R163 IonicContact OD1-NH1 3.72Å; D160-R163 PolarHBondContact OD1-NH1 2.96Å; D160-R163 IonicContact OD1-NH2 2.7Å; D160-R163 PolarHBondContact OD1-NH2 3.33Å; D160-R163 IonicContact OD2-NH2 3.18Å; D160-K164 WeakPolarHBondContact O-CB 3.24Å; D160-K164 PolarHBondContact O-N 3.23Å
161	C	72.2	Confident	72	Confident	42 Å²	42	82.6 Å²	82.6	28%	0.284	39%	0.392	S	S	.	.	H	α-helix	trans	-67.3	-45.7	174.2	-76.1	0	0	0	0	112	R163 K164 E165	C161-R163 VanDerWaalsContact C-N 3.27Å; C161-R163 PolarHBondContact O-N 3.28Å; C161-K164 PolarHBondContact O-N 3.5Å; C161-E165 WeakPolarHBondContact O-CB 3.48Å; C161-E165 PolarHBondContact O-N 3.48Å
162	E	73.4	Confident	74	Confident	80 Å²	80	80.5 Å²	80.5	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-65.8	-32.5	172.9	-78.7	177.2	177.4	0	0	111.4	F158 R166	F158-E162 HydrophobicContact CB-CB 4.3Å; F158-E162 HydrophobicContact CB-CG 3.57Å; F158-E162 VanDerWaalsContact CB-OE1 3.31Å; F158-E162 WeakPolarHBondContact CB-OE1 3.29Å; F158-E162 HydrophobicContact CD1-CG 3.6Å; F158-E162 VanDerWaalsContact CD2-OE1 3.32Å; F158-E162 WeakPolarHBondContact CD2-OE1 3.5Å; F158-E162 HydrophobicContact CE1-CG 4.46Å; F158-E162 HydrophobicContact CG-CG 3.67Å; F158-E162 WeakPolarHBondContact CG-OE1 3.21Å; F158-E162 WeakPolarHBondContact O-CB 3.33Å; F158-E162 PolarHBondContact O-N 2.93Å; E162-R166 WeakPolarHBondContact O-CB 3.17Å; E162-R166 WeakPolarHBondContact O-CG 3.17Å; E162-R166 PolarHBondContact O-N 3.49Å; E162-R166 PolarHBondContact O-NE 2.62Å
163	R	83.3	Confident	75.9	Confident	116 Å²	116	84.9 Å²	84.9	44%	0.438	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-51.1	173.3	179.3	178.9	69.4	-131.7	-4.2	110	K159 D160 C161 E165 R166 D167	K159-R163 WeakPolarHBondContact O-CB 3.4Å; K159-R163 PolarHBondContact O-N 3.48Å; K159-R163 VanDerWaalsContact O-N 3.14Å; D160-R163 PolarHBondContact O-N 3.44Å; D160-R163 IonicContact OD1-CZ 3.59Å; D160-R163 IonicContact OD1-NH1 3.72Å; D160-R163 PolarHBondContact OD1-NH1 2.96Å; D160-R163 IonicContact OD1-NH2 2.7Å; D160-R163 PolarHBondContact OD1-NH2 3.33Å; D160-R163 IonicContact OD2-NH2 3.18Å; C161-R163 VanDerWaalsContact C-N 3.27Å; C161-R163 PolarHBondContact O-N 3.28Å; R163-E165 VanDerWaalsContact C-N 3.32Å; R163-E165 PolarHBondContact O-N 3.35Å; R163-R166 PolarHBondContact O-N 3.28Å; R163-D167 WeakPolarHBondContact CG-OD2 3.41Å; R163-D167 WeakPolarHBondContact O-CB 3.25Å; R163-D167 PolarHBondContact O-N 2.85Å
164	K	84.2	Confident	78	Confident	79 Å²	79	84 Å²	84	34%	0.343	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-39.6	179.1	-166.9	168.9	-179.8	171.1	0	111.9	D160 C161 D167 C168 L455	D160-K164 WeakPolarHBondContact O-CB 3.24Å; D160-K164 PolarHBondContact O-N 3.23Å; C161-K164 PolarHBondContact O-N 3.5Å; K164-D167 PolarHBondContact O-N 3.03Å; K164-C168 WeakPolarHBondContact O-CB 3.5Å; K164-C168 PolarHBondContact O-N 2.64Å; K164-C168 PolarHBondContact O-SG 3.3Å; K164-L455 HydrophobicContact CB-CD1 4.17Å; K164-L455 HydrophobicContact CD-CD1 3.81Å; K164-L455 HydrophobicContact CD-CD2 4.26Å; K164-L455 HydrophobicContact CG-CD1 3.77Å
165	E	86.5	Confident	80.1	Confident	42 Å²	42	80.2 Å²	80.2	20%	0.196	37%	0.372	C	S	.	.	H	α-helix	trans	-62.3	-50.4	173.1	-179.1	170.2	-177.9	0	0	111.3	C161 R163 D167 C168 E169 I452 K456	C161-E165 WeakPolarHBondContact O-CB 3.48Å; C161-E165 PolarHBondContact O-N 3.48Å; R163-E165 VanDerWaalsContact C-N 3.32Å; R163-E165 PolarHBondContact O-N 3.35Å; E165-D167 VanDerWaalsContact C-N 3.31Å; E165-D167 PolarHBondContact O-N 3.35Å; E165-C168 CarbonylContact O-C 3.5Å; E165-C168 WeakPolarHBondContact O-CB 3.34Å; E165-C168 PolarHBondContact O-N 2.96Å; E165-C168 VanDerWaalsContact O-N 3.15Å; E165-E169 HydrophobicContact CG-CG 4.45Å; E165-E169 WeakPolarHBondContact O-CG 3.34Å; E165-E169 PolarHBondContact O-N 2.86Å; E165-I452 HydrophobicContact CG-CG1 4.3Å; E165-I452 HydrophobicContact CG-CG2 4.15Å; E165-K456 VanDerWaalsContact CD-CE 3.48Å; E165-K456 WeakPolarHBondContact OE1-CE 3.29Å; E165-K456 IonicContact OE1-NZ 3.95Å; E165-K456 PolarHBondContact OE1-NZ 3.15Å
166	R	88.6	Confident	82	Confident	116 Å²	116	75.1 Å²	75.1	44%	0.438	36%	0.355	S	S	.	.	H	α-helix	trans	-59.6	-40.9	177.3	-78.2	-175.3	-73.8	101.9	-4	112.2	E162 R163 C168 E169 L170	E162-R166 WeakPolarHBondContact O-CB 3.17Å; E162-R166 WeakPolarHBondContact O-CG 3.17Å; E162-R166 PolarHBondContact O-N 3.49Å; E162-R166 PolarHBondContact O-NE 2.62Å; R163-R166 PolarHBondContact O-N 3.28Å; R166-C168 VanDerWaalsContact C-N 3.35Å; R166-E169 PolarHBondContact O-N 2.94Å; R166-L170 WeakPolarHBondContact O-CB 3.34Å; R166-L170 VanDerWaalsContact O-CG 3.28Å; R166-L170 WeakPolarHBondContact O-CG 3.15Å; R166-L170 PolarHBondContact O-N 2.55Å
167	D	91.1	Very high	84	Confident	81 Å²	81	78 Å²	78	43%	0.433	37%	0.371	S	S	.	.	H	α-helix	trans	-65.2	-41.5	177.7	-64.3	-17.2	0	0	0	110.4	R163 K164 E165 L170 Q171	R163-D167 WeakPolarHBondContact CG-OD2 3.41Å; R163-D167 WeakPolarHBondContact O-CB 3.25Å; R163-D167 PolarHBondContact O-N 2.85Å; K164-D167 PolarHBondContact O-N 3.03Å; E165-D167 VanDerWaalsContact C-N 3.31Å; E165-D167 PolarHBondContact O-N 3.35Å; D167-L170 PolarHBondContact O-N 3.04Å; D167-Q171 WeakPolarHBondContact O-CB 3.34Å; D167-Q171 PolarHBondContact O-N 2.9Å
168	C	92.2	Very high	86.2	Confident	11 Å²	11	77.6 Å²	77.6	7%	0.074	37%	0.369	C	S	.	.	H	α-helix	trans	-64.6	-40.4	172.9	-67.3	0	0	0	0	112	K164 E165 R166 Q171 I172 A448 I452	K164-C168 WeakPolarHBondContact O-CB 3.5Å; K164-C168 PolarHBondContact O-N 2.64Å; K164-C168 PolarHBondContact O-SG 3.3Å; E165-C168 CarbonylContact O-C 3.5Å; E165-C168 WeakPolarHBondContact O-CB 3.34Å; E165-C168 PolarHBondContact O-N 2.96Å; E165-C168 VanDerWaalsContact O-N 3.15Å; R166-C168 VanDerWaalsContact C-N 3.35Å; C168-Q171 WeakPolarHBondContact O-CB 3.29Å; C168-Q171 PolarHBondContact O-N 2.97Å; C168-I172 WeakPolarHBondContact O-CD1 3.5Å; C168-I172 VanDerWaalsContact O-CG1 3.23Å; C168-I172 WeakPolarHBondContact O-CG1 3.32Å; C168-I172 PolarHBondContact O-N 2.81Å; C168-A448 HydrophobicContact CB-CB 4.25Å; C168-I452 HydrophobicContact CB-CD1 3.67Å; C168-I452 HydrophobicContact CB-CG1 3.54Å
169	E	93.9	Very high	88.2	Confident	96 Å²	96	75 Å²	75	45%	0.449	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-40.8	176.3	-73.8	-179.8	157	0	0	112.3	E165 R166 I172 R173 I452	E165-E169 HydrophobicContact CG-CG 4.45Å; E165-E169 WeakPolarHBondContact O-CG 3.34Å; E165-E169 PolarHBondContact O-N 2.86Å; R166-E169 PolarHBondContact O-N 2.94Å; E169-I172 PolarHBondContact O-N 3.3Å; E169-R173 PolarHBondContact O-N 3.11Å; E169-I452 HydrophobicContact CG-CD1 3.87Å
170	L	95.3	Very high	89.8	Confident	84 Å²	84	75.8 Å²	75.8	44%	0.44	36%	0.356	S	S	.	.	H	α-helix	trans	-61.6	-47.4	172.2	-72.4	172.3	0	0	0	110.4	R166 D167 I172 R173 D174	R166-L170 WeakPolarHBondContact O-CB 3.34Å; R166-L170 VanDerWaalsContact O-CG 3.28Å; R166-L170 WeakPolarHBondContact O-CG 3.15Å; R166-L170 PolarHBondContact O-N 2.55Å; D167-L170 PolarHBondContact O-N 3.04Å; L170-I172 VanDerWaalsContact C-N 3.31Å; L170-I172 PolarHBondContact O-N 2.7Å; L170-R173 WeakPolarHBondContact O-CB 3.26Å; L170-R173 PolarHBondContact O-N 3.49Å; L170-R173 VanDerWaalsContact O-N 3.13Å; L170-D174 WeakPolarHBondContact O-CB 3.47Å; L170-D174 PolarHBondContact O-N 3.36Å
171	Q	94.4	Very high	91.2	Very high	87 Å²	87	79.3 Å²	79.3	41%	0.407	37%	0.369	S	S	.	.	H	α-helix	trans	-58.5	-40.3	176.1	-179.4	178.6	-21.6	0	0	112.6	D167 C168 S175 R444 A448	D167-Q171 WeakPolarHBondContact O-CB 3.34Å; D167-Q171 PolarHBondContact O-N 2.9Å; C168-Q171 WeakPolarHBondContact O-CB 3.29Å; C168-Q171 PolarHBondContact O-N 2.97Å; Q171-S175 WeakPolarHBondContact O-CB 3.24Å; Q171-S175 PolarHBondContact O-N 3.11Å; Q171-S175 PolarHBondContact O-OG 3.12Å; Q171-R444 PolarHBondContact NE2-O 3.3Å; Q171-A448 HydrophobicContact CG-CB 4.43Å
172	I	95.7	Very high	92.2	Very high	27 Å²	27	79 Å²	79	14%	0.138	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-47.1	175.6	-70.3	161.2	0	0	0	110.5	C168 E169 L170 S176 A445 A448 R449 I452	C168-I172 WeakPolarHBondContact O-CD1 3.5Å; C168-I172 VanDerWaalsContact O-CG1 3.23Å; C168-I172 WeakPolarHBondContact O-CG1 3.32Å; C168-I172 PolarHBondContact O-N 2.81Å; E169-I172 PolarHBondContact O-N 3.3Å; L170-I172 VanDerWaalsContact C-N 3.31Å; L170-I172 PolarHBondContact O-N 2.7Å; I172-S176 WeakPolarHBondContact O-CB 3.16Å; I172-S176 PolarHBondContact O-N 3.33Å; I172-S176 PolarHBondContact O-OG 3.44Å; I172-A445 HydrophobicContact CG2-CB 4.46Å; I172-A448 HydrophobicContact CD1-CB 4.08Å; I172-A448 HydrophobicContact CG1-CB 3.62Å; I172-R449 HydrophobicContact CD1-CB 4.45Å; I172-R449 HydrophobicContact CD1-CG 3.57Å; I172-R449 HydrophobicContact CG1-CG 4.14Å; I172-I452 HydrophobicContact CD1-CD1 3.64Å
173	R	96.3	Very high	93.3	Very high	168 Å²	168	75.3 Å²	75.3	63%	0.634	35%	0.347	S	S	*	.	H	α-helix	trans	-62.4	-50.5	179.7	-176.4	-172.5	-65	-180	1	110.9	E169 L170 S175 S176 V177	E169-R173 PolarHBondContact O-N 3.11Å; L170-R173 WeakPolarHBondContact O-CB 3.26Å; L170-R173 PolarHBondContact O-N 3.49Å; L170-R173 VanDerWaalsContact O-N 3.13Å; R173-S175 PolarHBondContact O-N 2.98Å; R173-S176 WeakPolarHBondContact O-CB 3.33Å; R173-S176 PolarHBondContact O-N 3.35Å; R173-V177 WeakPolarHBondContact O-CG2 3.41Å; R173-V177 PolarHBondContact O-N 2.94Å
174	D	96.3	Very high	93.8	Very high	93 Å²	93	77 Å²	77	50%	0.497	36%	0.359	S	S	.	.	H	α-helix	trans	-64.2	-43.3	-177.2	-69.3	-10.1	0	0	0	110.9	L170 S176 V177 L178	L170-D174 WeakPolarHBondContact O-CB 3.47Å; L170-D174 PolarHBondContact O-N 3.36Å; D174-S176 VanDerWaalsContact C-N 3.31Å; D174-S176 PolarHBondContact O-N 3.05Å; D174-V177 PolarHBondContact O-N 3.05Å; D174-L178 WeakPolarHBondContact O-CG 3.15Å; D174-L178 PolarHBondContact O-N 3.4Å
175	S	95.9	Very high	94.2	Very high	9 Å²	9	76.7 Å²	76.7	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-61.9	-39.5	175.6	-60.3	0	0	0	0	111.9	Q171 R173 L178 F179 H441	Q171-S175 WeakPolarHBondContact O-CB 3.24Å; Q171-S175 PolarHBondContact O-N 3.11Å; Q171-S175 PolarHBondContact O-OG 3.12Å; R173-S175 PolarHBondContact O-N 2.98Å; S175-L178 PolarHBondContact O-N 3.29Å; S175-F179 WeakPolarHBondContact O-CB 3.4Å; S175-F179 PolarHBondContact O-N 2.61Å; S175-H441 WeakPolarHBondContact CB-O 3.42Å
176	S	95.5	Very high	94.4	Very high	38 Å²	38	75.1 Å²	75.1	27%	0.266	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-37.4	176.9	-57.3	0	0	0	0	112.4	I172 R173 D174 R180	I172-S176 WeakPolarHBondContact O-CB 3.16Å; I172-S176 PolarHBondContact O-N 3.33Å; I172-S176 PolarHBondContact O-OG 3.44Å; R173-S176 WeakPolarHBondContact O-CB 3.33Å; R173-S176 PolarHBondContact O-N 3.35Å; D174-S176 VanDerWaalsContact C-N 3.31Å; D174-S176 PolarHBondContact O-N 3.05Å; S176-R180 WeakPolarHBondContact O-CB 3.47Å; S176-R180 PolarHBondContact O-N 3.44Å; S176-R180 VanDerWaalsContact O-N 3.11Å
177	V	96.2	Very high	94.5	Very high	81 Å²	81	72.5 Å²	72.5	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-67.4	-44.2	175.3	171.7	0	0	0	0	110.8	R173 D174 R180 K181	R173-V177 WeakPolarHBondContact O-CG2 3.41Å; R173-V177 PolarHBondContact O-N 2.94Å; D174-V177 PolarHBondContact O-N 3.05Å; V177-R180 PolarHBondContact O-N 3.36Å; V177-K181 WeakPolarHBondContact O-CB 3.13Å; V177-K181 PolarHBondContact O-N 2.89Å
178	L	96.3	Very high	94.7	Very high	83 Å²	83	69.3 Å²	69.3	44%	0.435	35%	0.348	S	S	.	.	H	α-helix	trans	-64.1	-43.9	177.4	-70.2	173.2	0	0	0	111.9	D174 S175 R180 K181 E182	D174-L178 WeakPolarHBondContact O-CG 3.15Å; D174-L178 PolarHBondContact O-N 3.4Å; S175-L178 PolarHBondContact O-N 3.29Å; L178-R180 VanDerWaalsContact C-N 3.34Å; L178-R180 PolarHBondContact O-N 3.46Å; L178-K181 PolarHBondContact O-N 3.39Å; L178-E182 PolarHBondContact O-N 2.92Å
179	F	96.7	Very high	94.7	Very high	25 Å²	25	76.4 Å²	76.4	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-55.9	-48.8	174.1	177.9	-107.2	0	0	0	111.5	S175 K181 E182 C183 V193 I438 H441 N442	S175-F179 WeakPolarHBondContact O-CB 3.4Å; S175-F179 PolarHBondContact O-N 2.61Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.18Å; F179-E182 PolarHBondContact O-N 3.03Å; F179-C183 WeakPolarHBondContact CZ-SG 3.48Å; F179-C183 PolarHBondContact O-N 3.07Å; F179-C183 PolarHBondContact O-SG 3.3Å; F179-V193 HydrophobicContact CE2-CG2 4.3Å; F179-V193 HydrophobicContact CZ-CG2 4.27Å; F179-I438 HydrophobicContact CD2-CG2 4.13Å; F179-I438 WeakPolarHBondContact CD2-O 3.27Å; F179-I438 HydrophobicContact CE2-CG2 3.77Å; F179-H441 HydrophobicContact CB-CB 3.74Å; F179-H441 HydrophobicContact CD2-CB 4.44Å; F179-N442 WeakPolarHBondContact CD2-ND2 3.32Å; F179-N442 WeakPolarHBondContact CE1-ND2 3.43Å; F179-N442 WeakPolarHBondContact CE2-ND2 3.37Å; F179-N442 WeakPolarHBondContact CG-OD1 3.48Å; F179-N442 WeakPolarHBondContact CZ-ND2 3.48Å
180	R	95.8	Very high	94.6	Very high	172 Å²	172	72.6 Å²	72.6	65%	0.649	37%	0.367	S	S	*	.	H	α-helix	trans	-62	-41.5	178.4	-173.1	-176.3	-59.6	156.7	3.6	112	S176 V177 L178 C183 Q184	S176-R180 WeakPolarHBondContact O-CB 3.47Å; S176-R180 PolarHBondContact O-N 3.44Å; S176-R180 VanDerWaalsContact O-N 3.11Å; V177-R180 PolarHBondContact O-N 3.36Å; L178-R180 VanDerWaalsContact C-N 3.34Å; L178-R180 PolarHBondContact O-N 3.46Å; R180-C183 PolarHBondContact O-N 3.17Å; R180-Q184 WeakPolarHBondContact O-CB 3.16Å; R180-Q184 PolarHBondContact O-N 2.82Å
181	K	95.5	Very high	94.5	Very high	135 Å²	135	74 Å²	74	59%	0.587	38%	0.379	S	S	*	.	H	α-helix	trans	-63.7	-42.4	177.4	-173.7	-178.8	177.8	-175.6	0	111.4	V177 L178 F179 Q184 T185	V177-K181 WeakPolarHBondContact O-CB 3.13Å; V177-K181 PolarHBondContact O-N 2.89Å; L178-K181 PolarHBondContact O-N 3.39Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.18Å; K181-Q184 PolarHBondContact O-N 3.5Å; K181-T185 PolarHBondContact O-N 2.84Å; K181-T185 PolarHBondContact O-OG1 3.21Å
182	E	93.9	Very high	94.3	Very high	35 Å²	35	73.6 Å²	73.6	16%	0.164	38%	0.38	C	S	.	.	H	α-helix	trans	-64.9	-45.1	176.8	-160.9	74.6	-179.5	0	0	110.3	L178 F179 Q184 T185 Y186 K437 I438	L178-E182 PolarHBondContact O-N 2.92Å; F179-E182 PolarHBondContact O-N 3.03Å; E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 3.19Å; E182-T185 WeakPolarHBondContact O-CB 3.49Å; E182-T185 PolarHBondContact O-N 3.33Å; E182-T185 VanDerWaalsContact O-N 3.15Å; E182-Y186 HydrophobicContact CG-CE2 4.12Å; E182-Y186 WeakPolarHBondContact O-CD2 3.35Å; E182-Y186 PolarHBondContact O-N 3.1Å; E182-K437 IonicContact OE1-NZ 3.09Å; E182-K437 PolarHBondContact OE1-NZ 3.37Å; E182-I438 HydrophobicContact CG-CB 4.38Å; E182-I438 HydrophobicContact CG-CG1 3.73Å; E182-I438 HydrophobicContact CG-CG2 4.41Å
183	C	95.3	Very high	94.1	Very high	4 Å²	4	72.6 Å²	72.6	3%	0.027	38%	0.375	C	S	.	.	H	α-helix	trans	-59.5	-41.4	174.8	-66.1	0	0	0	0	112.5	F179 R180 T185 Y186 G187 I188	F179-C183 WeakPolarHBondContact CZ-SG 3.48Å; F179-C183 PolarHBondContact O-N 3.07Å; F179-C183 PolarHBondContact O-SG 3.3Å; R180-C183 PolarHBondContact O-N 3.17Å; C183-T185 VanDerWaalsContact C-N 3.31Å; C183-T185 PolarHBondContact O-N 3Å; C183-Y186 PolarHBondContact O-N 3.33Å; C183-G187 PolarHBondContact O-N 2.94Å; C183-I188 HydrophobicContact CB-CD1 4.49Å; C183-I188 HydrophobicContact CB-CG1 3.81Å; C183-I188 WeakPolarHBondContact O-CG1 3.34Å; C183-I188 PolarHBondContact O-N 3.39Å
184	Q	94.4	Very high	93.9	Very high	151 Å²	151	65.8 Å²	65.8	71%	0.706	35%	0.352	S	S	*	.	H	α-helix	trans	-63.9	-35.3	177.1	-173.2	177.5	9.9	0	0	112.4	R180 K181 E182 Y186 G187	R180-Q184 WeakPolarHBondContact O-CB 3.16Å; R180-Q184 PolarHBondContact O-N 2.82Å; K181-Q184 PolarHBondContact O-N 3.5Å; E182-Q184 VanDerWaalsContact C-N 3.32Å; E182-Q184 PolarHBondContact O-N 3.19Å; Q184-Y186 PolarHBondContact O-N 3.26Å; Q184-G187 PolarHBondContact O-N 2.69Å; Q184-G187 VanDerWaalsContact O-N 3.07Å
185	T	92.1	Very high	93.6	Very high	72 Å²	72	64.5 Å²	64.5	44%	0.442	35%	0.35	S	S	.	.	H	α-helix	trans	-57.7	-37.9	175.3	-57.5	0	0	0	0	111.7	K181 E182 C183 V417	K181-T185 PolarHBondContact O-N 2.84Å; K181-T185 PolarHBondContact O-OG1 3.21Å; E182-T185 WeakPolarHBondContact O-CB 3.49Å; E182-T185 PolarHBondContact O-N 3.33Å; E182-T185 VanDerWaalsContact O-N 3.15Å; C183-T185 VanDerWaalsContact C-N 3.31Å; C183-T185 PolarHBondContact O-N 3Å; T185-V417 WeakPolarHBondContact O-CG2 3.41Å
186	Y	91.5	Very high	93.4	Very high	9 Å²	9	65 Å²	65	4%	0.035	35%	0.352	C	S	.	.	H	α-helix	trans	-90.7	-6.6	176.5	-59.6	-80.3	0	0	0	113.7	E182 C183 Q184 I188 L197 L200 V417 H420 L434 I438	E182-Y186 HydrophobicContact CG-CE2 4.12Å; E182-Y186 WeakPolarHBondContact O-CD2 3.35Å; E182-Y186 PolarHBondContact O-N 3.1Å; C183-Y186 PolarHBondContact O-N 3.33Å; Q184-Y186 PolarHBondContact O-N 3.26Å; Y186-I188 VanDerWaalsContact C-N 3.3Å; Y186-I188 PolarHBondContact O-N 3.4Å; Y186-L197 HydrophobicContact CD1-CD2 4.13Å; Y186-L197 HydrophobicContact CG-CD2 4.17Å; Y186-L200 VanDerWaalsContact O-CD1 3.24Å; Y186-L200 WeakPolarHBondContact O-CD1 3.15Å; Y186-V417 HydrophobicContact CD1-CG1 4.39Å; Y186-V417 HydrophobicContact CD1-CG2 4.32Å; Y186-H420 HydrophobicContact CE1-CB 4.01Å; Y186-H420 AromaticContact CE1-CD2 3.66Å; Y186-H420 AromaticContact CE1-CG 3.91Å; Y186-H420 AromaticContact CZ-CD2 3.96Å; Y186-H420 PolarHBondContact OH-CD2 3.01Å; Y186-H420 PolarHBondContact OH-NE2 3.07Å; Y186-L434 HydrophobicContact CE1-CD1 4.44Å; Y186-L434 HydrophobicContact CE1-CD2 4.26Å; Y186-L434 HydrophobicContact CE2-CD1 4.4Å; Y186-L434 WeakPolarHBondContact OH-CD1 3.26Å; Y186-I438 HydrophobicContact CD2-CD1 3.92Å; Y186-I438 HydrophobicContact CE2-CD1 3.77Å; Y186-I438 HydrophobicContact CE2-CG1 4.18Å
187	G	91.1	Very high	93.3	Very high	62 Å²	62	63.2 Å²	63.2	64%	0.639	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	28.6	-173.9	0	0	0	0	0	113.9	C183 Q184	C183-G187 PolarHBondContact O-N 2.94Å; Q184-G187 PolarHBondContact O-N 2.69Å; Q184-G187 VanDerWaalsContact O-N 3.07Å
188	I	94.5	Very high	92.9	Very high	13 Å²	13	60.8 Å²	60.8	7%	0.067	32%	0.323	C	S	.	.			trans	-100.6	155.5	177.5	65.5	176.9	0	0	0	111.2	C183 Y186 V193 E196 L200	C183-I188 HydrophobicContact CB-CD1 4.49Å; C183-I188 HydrophobicContact CB-CG1 3.81Å; C183-I188 WeakPolarHBondContact O-CG1 3.34Å; C183-I188 PolarHBondContact O-N 3.39Å; Y186-I188 VanDerWaalsContact C-N 3.3Å; Y186-I188 PolarHBondContact O-N 3.4Å; I188-V193 HydrophobicContact CD1-CB 4.46Å; I188-V193 HydrophobicContact CD1-CG1 4.12Å; I188-V193 HydrophobicContact CD1-CG2 4.18Å; I188-E196 HydrophobicContact CB-CB 3.99Å; I188-E196 HydrophobicContact CG2-CB 3.75Å; I188-L200 HydrophobicContact CG2-CD1 3.56Å; I188-L200 HydrophobicContact CG2-CG 4.47Å
189	E	92.3	Very high	92.6	Very high	161 Å²	161	63.9 Å²	63.9	75%	0.752	33%	0.329	S	S	*	.			trans	-77.4	-28.6	177.2	-164	177.7	174.2	0	0	111.1	V191 E196	E189-V191 HydrophobicContact CB-CG2 4.09Å; E189-V191 HydrophobicContact CG-CG2 3.79Å; E189-E196 VanDerWaalsContact CB-OE1 3.26Å; E189-E196 WeakPolarHBondContact CB-OE1 3.34Å; E189-E196 PolarHBondContact N-OE1 3.24Å
190	G	92.4	Very high	92.3	Very high	16 Å²	16	64.4 Å²	64.4	17%	0.165	33%	0.333	C	S	.	.	S	Bend	trans	86.4	18	-179	0	0	0	0	0	113.1	E196	G190-E196 WeakPolarHBondContact CA-OE2 3.38Å; G190-E196 PolarHBondContact N-OE1 3.5Å; G190-E196 PolarHBondContact N-OE2 3.14Å
191	V	91.6	Very high	91.9	Very high	113 Å²	113	56.3 Å²	56.3	69%	0.685	30%	0.303	S	S	*	.	S	Bend	trans	-77.8	-47.3	178.7	177.6	0	0	0	0	110.5	E189 E196	E189-V191 HydrophobicContact CB-CG2 4.09Å; E189-V191 HydrophobicContact CG-CG2 3.79Å; V191-E196 PolarHBondContact N-OE2 3.03Å; V191-E196 VanDerWaalsContact N-OE2 3.13Å
192	N	91.7	Very high	91.6	Very high	79 Å²	79	54.6 Å²	54.6	42%	0.422	30%	0.3	S	S	.	.	S	Bend	trans	-139.2	82.5	173.7	-173.7	-44.1	0	0	0	107.6	P194 S195 E196	N192-P194 VanDerWaalsContact C-CD 3.49Å; N192-P194 VanDerWaalsContact C-N 3.31Å; N192-P194 WeakPolarHBondContact OD1-CD 3.34Å; N192-S195 PolarHBondContact ND2-OG 3.1Å; N192-S195 PolarHBondContact O-N 3.01Å; N192-S195 WeakPolarHBondContact OD1-CB 3.39Å; N192-S195 PolarHBondContact OD1-N 3.17Å; N192-S195 PolarHBondContact OD1-OG 3.05Å; N192-E196 PolarHBondContact N-OE2 3.47Å; N192-E196 WeakPolarHBondContact O-CB 3.44Å; N192-E196 VanDerWaalsContact O-CG 3.32Å; N192-E196 WeakPolarHBondContact O-CG 3.32Å; N192-E196 PolarHBondContact O-N 3.48Å
193	V	91.9	Very high	91.3	Very high	5 Å²	5	56 Å²	56	3%	0.03	31%	0.309	C	S	.	.	H	α-helix	trans	-48.5	-47.7	-175.4	173.5	0	0	0	0	112.1	F179 I188 S195 E196 L197 T435 I438	F179-V193 HydrophobicContact CE2-CG2 4.3Å; F179-V193 HydrophobicContact CZ-CG2 4.27Å; I188-V193 HydrophobicContact CD1-CB 4.46Å; I188-V193 HydrophobicContact CD1-CG1 4.12Å; I188-V193 HydrophobicContact CD1-CG2 4.18Å; V193-S195 PolarHBondContact O-N 3.11Å; V193-E196 PolarHBondContact O-N 3.38Å; V193-L197 HydrophobicContact CG1-CD1 3.71Å; V193-L197 HydrophobicContact CG1-CG 4.23Å; V193-L197 WeakPolarHBondContact O-CB 3.44Å; V193-L197 WeakPolarHBondContact O-CG 3.38Å; V193-L197 PolarHBondContact O-N 3.06Å; V193-T435 HydrophobicContact CG1-CG2 4.36Å; V193-I438 HydrophobicContact CG1-CB 4.12Å; V193-I438 HydrophobicContact CG1-CD1 3.75Å; V193-I438 HydrophobicContact CG1-CG2 4.03Å; V193-I438 HydrophobicContact CG2-CG2 3.97Å
194	P	90.8	Very high	91.1	Very high	25 Å²	25	55.9 Å²	55.9	16%	0.162	31%	0.308	C	S	.	.	H	α-helix	trans	-56.4	-52.4	176.6	-26.3	34.3	0	0	0	113.6	N192 E196 L197 L198 L283 T435	N192-P194 VanDerWaalsContact C-CD 3.49Å; N192-P194 VanDerWaalsContact C-N 3.31Å; N192-P194 WeakPolarHBondContact OD1-CD 3.34Å; P194-E196 VanDerWaalsContact C-N 3.33Å; P194-E196 PolarHBondContact O-N 3.12Å; P194-L197 PolarHBondContact O-N 2.98Å; P194-L198 WeakPolarHBondContact O-CG 3.36Å; P194-L198 PolarHBondContact O-N 3.33Å; P194-L283 HydrophobicContact CB-CD1 3.63Å; P194-L283 HydrophobicContact CB-CG 4.5Å; P194-L283 HydrophobicContact CG-CD1 3.53Å; P194-T435 HydrophobicContact CG-CG2 3.67Å
195	S	90.2	Very high	90.9	Very high	66 Å²	66	51.3 Å²	51.3	46%	0.462	29%	0.291	S	S	.	.	H	α-helix	trans	-66.9	-36.9	-175.5	-56.7	0	0	0	0	111.8	N192 V193 R199	N192-S195 PolarHBondContact ND2-OG 3.1Å; N192-S195 PolarHBondContact O-N 3.01Å; N192-S195 WeakPolarHBondContact OD1-CB 3.39Å; N192-S195 PolarHBondContact OD1-N 3.17Å; N192-S195 PolarHBondContact OD1-OG 3.05Å; V193-S195 PolarHBondContact O-N 3.11Å; S195-R199 PolarHBondContact O-N 3.42Å
196	E	92.7	Very high	90.9	Very high	20 Å²	20	54.1 Å²	54.1	9%	0.093	30%	0.297	C	S	.	.	H	α-helix	trans	-67.7	-41.2	177.2	-67.4	178.8	111.6	0	0	111.9	I188 E189 G190 V191 N192 V193 P194 R199 L200	I188-E196 HydrophobicContact CB-CB 3.99Å; I188-E196 HydrophobicContact CG2-CB 3.75Å; E189-E196 VanDerWaalsContact CB-OE1 3.26Å; E189-E196 WeakPolarHBondContact CB-OE1 3.34Å; E189-E196 PolarHBondContact N-OE1 3.24Å; G190-E196 WeakPolarHBondContact CA-OE2 3.38Å; G190-E196 PolarHBondContact N-OE1 3.5Å; G190-E196 PolarHBondContact N-OE2 3.14Å; V191-E196 PolarHBondContact N-OE2 3.03Å; V191-E196 VanDerWaalsContact N-OE2 3.13Å; N192-E196 PolarHBondContact N-OE2 3.47Å; N192-E196 WeakPolarHBondContact O-CB 3.44Å; N192-E196 VanDerWaalsContact O-CG 3.32Å; N192-E196 WeakPolarHBondContact O-CG 3.32Å; N192-E196 PolarHBondContact O-N 3.48Å; V193-E196 PolarHBondContact O-N 3.38Å; P194-E196 VanDerWaalsContact C-N 3.33Å; P194-E196 PolarHBondContact O-N 3.12Å; E196-R199 PolarHBondContact O-N 2.85Å; E196-L200 WeakPolarHBondContact O-CG 3.47Å; E196-L200 PolarHBondContact O-N 3.33Å; E196-L200 VanDerWaalsContact O-N 3.12Å
197	L	92	Very high	90.8	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-65.2	-41.2	174.9	-71.1	173.1	0	0	0	112	Y186 V193 P194 R199 L200 A201 L431 L434 I438	Y186-L197 HydrophobicContact CD1-CD2 4.13Å; Y186-L197 HydrophobicContact CG-CD2 4.17Å; V193-L197 HydrophobicContact CG1-CD1 3.71Å; V193-L197 HydrophobicContact CG1-CG 4.23Å; V193-L197 WeakPolarHBondContact O-CB 3.44Å; V193-L197 WeakPolarHBondContact O-CG 3.38Å; V193-L197 PolarHBondContact O-N 3.06Å; P194-L197 PolarHBondContact O-N 2.98Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.41Å; L197-L200 WeakPolarHBondContact O-CB 3.48Å; L197-L200 PolarHBondContact O-N 2.78Å; L197-A201 PolarHBondContact O-N 3.06Å; L197-L431 HydrophobicContact CB-CD1 4.04Å; L197-L431 HydrophobicContact CD1-CD1 4.15Å; L197-L434 HydrophobicContact CD1-CD2 3.9Å; L197-L434 HydrophobicContact CD1-CG 3.99Å; L197-L434 HydrophobicContact CD2-CD2 4.16Å; L197-I438 HydrophobicContact CD1-CD1 4.06Å
198	L	89.2	Confident	91	Very high	29 Å²	29	52.9 Å²	52.9	15%	0.152	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-40.9	175.6	-68.9	176.3	0	0	0	111.5	P194 L200 A201 D202 I278 L281 L424 L431	P194-L198 WeakPolarHBondContact O-CG 3.36Å; P194-L198 PolarHBondContact O-N 3.33Å; L198-L200 VanDerWaalsContact C-N 3.31Å; L198-L200 PolarHBondContact O-N 2.97Å; L198-A201 WeakPolarHBondContact O-CB 3.47Å; L198-A201 PolarHBondContact O-N 2.71Å; L198-A201 VanDerWaalsContact O-N 3.11Å; L198-D202 PolarHBondContact O-N 2.84Å; L198-I278 HydrophobicContact CB-CG2 4.31Å; L198-I278 HydrophobicContact CD2-CG2 3.68Å; L198-I278 HydrophobicContact CG-CG2 4.36Å; L198-L281 HydrophobicContact CD2-CB 4.49Å; L198-L281 HydrophobicContact CD2-CD1 3.88Å; L198-L424 HydrophobicContact CD2-CD2 3.94Å; L198-L431 HydrophobicContact CD1-CD2 4.08Å; L198-L431 HydrophobicContact CD2-CD1 4.24Å; L198-L431 HydrophobicContact CD2-CD2 3.79Å; L198-L431 HydrophobicContact CG-CD1 4.37Å; L198-L431 HydrophobicContact CG-CD2 3.99Å
199	R	89.4	Confident	90.9	Very high	148 Å²	148	55.8 Å²	55.8	56%	0.558	30%	0.296	S	S	*	.	H	α-helix	trans	-61	-39.9	175.1	-171.1	-177.8	70.3	-172.3	-1.7	112.2	S195 E196 L197 A201 D202 D203	S195-R199 PolarHBondContact O-N 3.42Å; E196-R199 PolarHBondContact O-N 2.85Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 3.41Å; R199-A201 VanDerWaalsContact C-N 3.31Å; R199-A201 PolarHBondContact O-N 3.32Å; R199-D202 PolarHBondContact O-N 3.37Å; R199-D203 PolarHBondContact O-N 2.85Å; R199-D203 VanDerWaalsContact O-N 3.12Å
200	L	90.5	Very high	91.1	Very high	37 Å²	37	55 Å²	55	19%	0.194	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-36.9	175.1	-71.6	173.4	0	0	0	112	Y186 I188 E196 L197 L198 D203 L204 L421	Y186-L200 VanDerWaalsContact O-CD1 3.24Å; Y186-L200 WeakPolarHBondContact O-CD1 3.15Å; I188-L200 HydrophobicContact CG2-CD1 3.56Å; I188-L200 HydrophobicContact CG2-CG 4.47Å; E196-L200 WeakPolarHBondContact O-CG 3.47Å; E196-L200 PolarHBondContact O-N 3.33Å; E196-L200 VanDerWaalsContact O-N 3.12Å; L197-L200 WeakPolarHBondContact O-CB 3.48Å; L197-L200 PolarHBondContact O-N 2.78Å; L198-L200 VanDerWaalsContact C-N 3.31Å; L198-L200 PolarHBondContact O-N 2.97Å; L200-D203 PolarHBondContact O-N 3.44Å; L200-L204 PolarHBondContact O-N 2.98Å; L200-L421 HydrophobicContact CB-CD1 3.93Å; L200-L421 HydrophobicContact CB-CD2 3.74Å; L200-L421 HydrophobicContact CB-CG 4.49Å
201	A	87.8	Confident	91.2	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-69.3	-32.5	176.3	0	0	0	0	0	113	L197 L198 R199 D203 L204 I278 L421 L424	L197-A201 PolarHBondContact O-N 3.06Å; L198-A201 WeakPolarHBondContact O-CB 3.47Å; L198-A201 PolarHBondContact O-N 2.71Å; L198-A201 VanDerWaalsContact O-N 3.11Å; R199-A201 VanDerWaalsContact C-N 3.31Å; R199-A201 PolarHBondContact O-N 3.32Å; A201-D203 VanDerWaalsContact C-N 3.34Å; A201-L204 WeakPolarHBondContact O-CB 3.45Å; A201-L204 PolarHBondContact O-N 3.41Å; A201-I278 HydrophobicContact CB-CD1 4.36Å; A201-L421 HydrophobicContact CB-CD2 4.2Å; A201-L424 HydrophobicContact CB-CD2 3.5Å
202	D	87.5	Confident	91.4	Very high	100 Å²	100	49.7 Å²	49.7	54%	0.535	25%	0.254	S	S	.	.	H	α-helix	trans	-67.7	-33.7	171.8	-77.4	-14.2	0	0	0	112.3	L198 R199 L204 P205	L198-D202 PolarHBondContact O-N 2.84Å; R199-D202 PolarHBondContact O-N 3.37Å; D202-L204 VanDerWaalsContact C-N 3.35Å; D202-P205 WeakPolarHBondContact O-CD 3.4Å
203	D	89.2	Confident	91.6	Very high	65 Å²	65	52.5 Å²	52.5	35%	0.348	27%	0.265	S	S	.	.	H	α-helix	trans	-81.9	-11.3	175.7	-79	-32.6	0	0	0	113.6	R199 L200 A201 P205 K206 S207	R199-D203 PolarHBondContact O-N 2.85Å; R199-D203 VanDerWaalsContact O-N 3.12Å; L200-D203 PolarHBondContact O-N 3.44Å; A201-D203 VanDerWaalsContact C-N 3.34Å; D203-P205 VanDerWaalsContact C-CD 3.47Å; D203-K206 WeakPolarHBondContact O-CB 3.38Å; D203-K206 PolarHBondContact O-N 3.5Å; D203-K206 IonicContact OD1-NZ 2.64Å; D203-K206 PolarHBondContact OD1-NZ 3.48Å; D203-S207 PolarHBondContact O-N 2.92Å
204	L	90.4	Very high	91.8	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-53.4	-42.5	-178	-176.2	63.7	0	0	0	114.3	L200 A201 D202 K206 S207 Q208 L418 L421 K425	L200-L204 PolarHBondContact O-N 2.98Å; A201-L204 WeakPolarHBondContact O-CB 3.45Å; A201-L204 PolarHBondContact O-N 3.41Å; D202-L204 VanDerWaalsContact C-N 3.35Å; L204-K206 PolarHBondContact O-N 3.02Å; L204-S207 PolarHBondContact O-N 3.43Å; L204-S207 VanDerWaalsContact O-N 3.15Å; L204-S207 PolarHBondContact O-OG 3.37Å; L204-Q208 HydrophobicContact CD1-CG 4.34Å; L204-Q208 HydrophobicContact CG-CG 4.34Å; L204-Q208 WeakPolarHBondContact O-CB 3.42Å; L204-Q208 WeakPolarHBondContact O-CG 3.5Å; L204-Q208 PolarHBondContact O-N 3.13Å; L204-L418 HydrophobicContact CD1-CD1 3.34Å; L204-L418 HydrophobicContact CD1-CG 4.09Å; L204-L421 HydrophobicContact CD1-CB 4.1Å; L204-L421 HydrophobicContact CD1-CD1 4.14Å; L204-L421 HydrophobicContact CD2-CB 3.82Å; L204-L421 HydrophobicContact CG-CB 4.44Å; L204-K425 HydrophobicContact CD2-CD 4.14Å
205	P	91.1	Very high	92.1	Very high	56 Å²	56	54.9 Å²	54.9	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-57.5	-34.7	176.2	-25.2	36.3	0	0	0	112.9	D202 D203 Q208 D209	D202-P205 WeakPolarHBondContact O-CD 3.4Å; D203-P205 VanDerWaalsContact C-CD 3.47Å; P205-Q208 PolarHBondContact O-N 2.95Å; P205-D209 WeakPolarHBondContact O-CB 3.14Å; P205-D209 VanDerWaalsContact O-CG 3.23Å; P205-D209 PolarHBondContact O-N 2.89Å
206	K	91.7	Very high	92.3	Very high	130 Å²	130	53.5 Å²	53.5	57%	0.565	27%	0.265	S	S	*	.	H	α-helix	trans	-70	-34.9	179.4	-58.1	171.9	-174.1	158.5	0	112.2	D203 L204 K210	D203-K206 WeakPolarHBondContact O-CB 3.38Å; D203-K206 PolarHBondContact O-N 3.5Å; D203-K206 IonicContact OD1-NZ 2.64Å; D203-K206 PolarHBondContact OD1-NZ 3.48Å; L204-K206 PolarHBondContact O-N 3.02Å; K206-K210 WeakPolarHBondContact O-CG 3.38Å; K206-K210 PolarHBondContact O-N 3.42Å
207	S	90	Very high	92.4	Very high	44 Å²	44	56.7 Å²	56.7	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-73.2	-39.2	174.8	59.5	0	0	0	0	111	D203 L204 D209 K210 I211	D203-S207 PolarHBondContact O-N 2.92Å; L204-S207 PolarHBondContact O-N 3.43Å; L204-S207 VanDerWaalsContact O-N 3.15Å; L204-S207 PolarHBondContact O-OG 3.37Å; S207-D209 VanDerWaalsContact C-N 3.35Å; S207-D209 PolarHBondContact O-N 3.42Å; S207-K210 WeakPolarHBondContact O-CB 3.41Å; S207-K210 PolarHBondContact O-N 3.41Å; S207-K210 VanDerWaalsContact O-N 3.15Å; S207-I211 PolarHBondContact O-N 2.88Å
208	Q	93.7	Very high	92.6	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-40.2	173.3	-75.8	176.1	-19.4	0	0	112.7	L204 P205 K210 I211 V212 N257 L346 D347 L418	L204-Q208 HydrophobicContact CD1-CG 4.34Å; L204-Q208 HydrophobicContact CG-CG 4.34Å; L204-Q208 WeakPolarHBondContact O-CB 3.42Å; L204-Q208 WeakPolarHBondContact O-CG 3.5Å; L204-Q208 PolarHBondContact O-N 3.13Å; P205-Q208 PolarHBondContact O-N 2.95Å; Q208-K210 VanDerWaalsContact C-N 3.27Å; Q208-K210 PolarHBondContact O-N 2.92Å; Q208-I211 WeakPolarHBondContact O-CB 3.42Å; Q208-I211 PolarHBondContact O-N 2.81Å; Q208-I211 VanDerWaalsContact O-N 3.09Å; Q208-V212 PolarHBondContact O-N 3.5Å; Q208-V212 VanDerWaalsContact O-N 3.09Å; Q208-N257 PolarHBondContact OE1-ND2 2.97Å; Q208-L346 HydrophobicContact CB-CD1 3.78Å; Q208-L346 HydrophobicContact CG-CB 4.17Å; Q208-L346 HydrophobicContact CG-CD1 3.89Å; Q208-D347 PolarHBondContact NE2-OD1 3.44Å; Q208-L418 HydrophobicContact CG-CD1 4.13Å
209	D	94	Very high	92.7	Very high	75 Å²	75	59.6 Å²	59.6	40%	0.401	30%	0.304	S	S	.	.	H	α-helix	trans	-60	-38	174.7	-75.5	-21.8	0	0	0	111.5	P205 S207 I211 V212 H213	P205-D209 WeakPolarHBondContact O-CB 3.14Å; P205-D209 VanDerWaalsContact O-CG 3.23Å; P205-D209 PolarHBondContact O-N 2.89Å; S207-D209 VanDerWaalsContact C-N 3.35Å; S207-D209 PolarHBondContact O-N 3.42Å; D209-I211 VanDerWaalsContact C-N 3.29Å; D209-I211 PolarHBondContact O-N 3Å; D209-V212 PolarHBondContact O-N 3.21Å; D209-H213 PolarHBondContact O-N 3.06Å; D209-H213 PolarHBondContact O-ND1 3.47Å
210	K	94.7	Very high	92.8	Very high	143 Å²	143	55 Å²	55	62%	0.622	30%	0.297	S	S	*	.	H	α-helix	trans	-61.4	-38.5	175.6	-64.9	171.2	-174.8	175.4	0	111.9	K206 S207 Q208 H213 K214	K206-K210 WeakPolarHBondContact O-CG 3.38Å; K206-K210 PolarHBondContact O-N 3.42Å; S207-K210 WeakPolarHBondContact O-CB 3.41Å; S207-K210 PolarHBondContact O-N 3.41Å; S207-K210 VanDerWaalsContact O-N 3.15Å; Q208-K210 VanDerWaalsContact C-N 3.27Å; Q208-K210 PolarHBondContact O-N 2.92Å; K210-H213 PolarHBondContact O-N 2.98Å; K210-K214 WeakPolarHBondContact O-CG 3.36Å; K210-K214 PolarHBondContact O-N 3.38Å
211	I	95.3	Very high	93	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-47.1	175.6	-61.1	173.4	0	0	0	109.7	S207 Q208 D209 H213 K214 L215 L346 D412 V413 L418	S207-I211 PolarHBondContact O-N 2.88Å; Q208-I211 WeakPolarHBondContact O-CB 3.42Å; Q208-I211 PolarHBondContact O-N 2.81Å; Q208-I211 VanDerWaalsContact O-N 3.09Å; D209-I211 VanDerWaalsContact C-N 3.29Å; D209-I211 PolarHBondContact O-N 3Å; I211-H213 VanDerWaalsContact C-N 3.31Å; I211-H213 PolarHBondContact O-N 2.79Å; I211-K214 WeakPolarHBondContact O-CB 3.48Å; I211-K214 PolarHBondContact O-N 2.79Å; I211-K214 VanDerWaalsContact O-N 3.12Å; I211-L215 HydrophobicContact CG2-CD1 4.41Å; I211-L215 WeakPolarHBondContact O-CG 3.23Å; I211-L215 PolarHBondContact O-N 3.47Å; I211-L346 HydrophobicContact CB-CD1 4.41Å; I211-L346 HydrophobicContact CG2-CD1 4.47Å; I211-D412 HydrophobicContact CD1-CB 4.3Å; I211-D412 HydrophobicContact CG1-CB 4.09Å; I211-V413 HydrophobicContact CD1-CG2 4.14Å; I211-V413 HydrophobicContact CG2-CG2 3.58Å; I211-L418 HydrophobicContact CD1-CD1 4.5Å; I211-L418 HydrophobicContact CD1-CD2 4.19Å
212	V	96.1	Very high	93.2	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-41.8	176.9	175.4	0	0	0	0	111.8	Q208 D209 K214 L215 A216 L252 N257 L346	Q208-V212 PolarHBondContact O-N 3.5Å; Q208-V212 VanDerWaalsContact O-N 3.09Å; D209-V212 PolarHBondContact O-N 3.21Å; V212-K214 PolarHBondContact O-N 3.15Å; V212-L215 WeakPolarHBondContact O-CB 3.45Å; V212-L215 PolarHBondContact O-N 3.07Å; V212-A216 PolarHBondContact O-N 3.33Å; V212-L252 WeakPolarHBondContact CG1-O 3.46Å; V212-L252 HydrophobicContact CG2-CD2 4.34Å; V212-N257 HydrophobicContact CG2-CB 3.99Å; V212-L346 HydrophobicContact CG2-CD1 4.42Å
213	H	96	Very high	93.4	Very high	138 Å²	138	54.2 Å²	54.2	64%	0.639	29%	0.289	S	S	*	.	H	α-helix	trans	-64.4	-38.6	175.7	-74.1	81	0	0	0	112.3	D209 K210 I211 A216 S217	D209-H213 PolarHBondContact O-N 3.06Å; D209-H213 PolarHBondContact O-ND1 3.47Å; K210-H213 PolarHBondContact O-N 2.98Å; I211-H213 VanDerWaalsContact C-N 3.31Å; I211-H213 PolarHBondContact O-N 2.79Å; H213-A216 PolarHBondContact O-N 3.27Å; H213-S217 PolarHBondContact O-N 3.35Å; H213-S217 VanDerWaalsContact O-N 3.13Å
214	K	95.7	Very high	93.5	Very high	80 Å²	80	51.7 Å²	51.7	35%	0.348	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-39.3	172.6	-73.6	-176.3	176.2	-171.5	0	111.9	K210 I211 V212 A216 S217 H218 I409 D412	K210-K214 WeakPolarHBondContact O-CG 3.36Å; K210-K214 PolarHBondContact O-N 3.38Å; I211-K214 WeakPolarHBondContact O-CB 3.48Å; I211-K214 PolarHBondContact O-N 2.79Å; I211-K214 VanDerWaalsContact O-N 3.12Å; V212-K214 PolarHBondContact O-N 3.15Å; K214-A216 VanDerWaalsContact C-N 3.32Å; K214-A216 PolarHBondContact O-N 2.83Å; K214-S217 PolarHBondContact O-N 3.46Å; K214-S217 PolarHBondContact O-OG 3.26Å; K214-H218 PolarHBondContact O-ND1 3.22Å; K214-I409 HydrophobicContact CB-CD1 4.08Å; K214-I409 HydrophobicContact CB-CG1 3.81Å; K214-I409 HydrophobicContact CD-CG1 4.32Å; K214-D412 VanDerWaalsContact CD-OD2 3.24Å; K214-D412 WeakPolarHBondContact CD-OD2 3.49Å; K214-D412 VanDerWaalsContact CE-OD2 3.28Å; K214-D412 WeakPolarHBondContact CE-OD2 3.42Å; K214-D412 IonicContact NZ-OD1 3.86Å; K214-D412 IonicContact NZ-OD2 2.6Å; K214-D412 PolarHBondContact NZ-OD2 2.87Å
215	L	96.5	Very high	93.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-44.2	173	-66.8	169.8	0	0	0	110.7	I211 V212 S217 H218 F249 L252 V253 L355 L359 I409	I211-L215 HydrophobicContact CG2-CD1 4.41Å; I211-L215 WeakPolarHBondContact O-CG 3.23Å; I211-L215 PolarHBondContact O-N 3.47Å; V212-L215 WeakPolarHBondContact O-CB 3.45Å; V212-L215 PolarHBondContact O-N 3.07Å; L215-S217 VanDerWaalsContact C-N 3.28Å; L215-S217 PolarHBondContact O-N 3.46Å; L215-H218 PolarHBondContact O-N 2.66Å; L215-F249 HydrophobicContact CB-CE1 4.06Å; L215-F249 HydrophobicContact CB-CZ 4Å; L215-F249 HydrophobicContact CD2-CD2 3.64Å; L215-F249 HydrophobicContact CD2-CE1 4.22Å; L215-F249 HydrophobicContact CD2-CE2 3.27Å; L215-F249 HydrophobicContact CD2-CG 4.26Å; L215-F249 HydrophobicContact CD2-CZ 3.59Å; L215-F249 HydrophobicContact CG-CE2 4.49Å; L215-F249 HydrophobicContact CG-CZ 4.42Å; L215-F249 WeakPolarHBondContact O-CE1 3.16Å; L215-F249 WeakPolarHBondContact O-CZ 3.32Å; L215-L252 HydrophobicContact CD1-CB 4.09Å; L215-L252 HydrophobicContact CD1-CD1 4.01Å; L215-V253 HydrophobicContact CB-CG2 3.71Å; L215-L355 HydrophobicContact CD1-CD1 4.23Å; L215-L355 HydrophobicContact CD2-CD1 4.31Å; L215-L359 HydrophobicContact CD2-CD2 3.94Å; L215-I409 HydrophobicContact CD2-CD1 4.28Å; L215-I409 HydrophobicContact CD2-CG2 3.81Å; L215-I409 HydrophobicContact CG-CG2 4.45Å
216	A	95	Very high	93.6	Very high	38 Å²	38	51.1 Å²	51.1	31%	0.314	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-31.2	-179.6	0	0	0	0	0	113.2	V212 H213 K214 H218 L219 V253	V212-A216 PolarHBondContact O-N 3.33Å; H213-A216 PolarHBondContact O-N 3.27Å; K214-A216 VanDerWaalsContact C-N 3.32Å; K214-A216 PolarHBondContact O-N 2.83Å; A216-H218 PolarHBondContact O-N 3.02Å; A216-L219 WeakPolarHBondContact O-CG 3.5Å; A216-L219 PolarHBondContact O-N 2.83Å; A216-V253 HydrophobicContact CB-CG1 3.86Å; A216-V253 HydrophobicContact CB-CG2 4.47Å
217	S	95	Very high	93.6	Very high	87 Å²	87	50.4 Å²	50.4	61%	0.608	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.9	175.3	74.7	0	0	0	0	114.1	H213 K214 L215	H213-S217 PolarHBondContact O-N 3.35Å; H213-S217 VanDerWaalsContact O-N 3.13Å; K214-S217 PolarHBondContact O-N 3.46Å; K214-S217 PolarHBondContact O-OG 3.26Å; L215-S217 VanDerWaalsContact C-N 3.28Å; L215-S217 PolarHBondContact O-N 3.46Å
218	H	94.9	Very high	93.6	Very high	19 Å²	19	50.4 Å²	50.4	9%	0.088	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	18.2	-179.6	-67.1	81.3	0	0	0	112.9	K214 L215 A216 A220 L221 F249 W402	K214-H218 PolarHBondContact O-ND1 3.22Å; L215-H218 PolarHBondContact O-N 2.66Å; A216-H218 PolarHBondContact O-N 3.02Å; H218-A220 VanDerWaalsContact C-N 3.28Å; H218-A220 PolarHBondContact O-N 3.37Å; H218-L221 VanDerWaalsContact O-CB 3.28Å; H218-L221 WeakPolarHBondContact O-CB 3.48Å; H218-L221 PolarHBondContact O-N 3.05Å; H218-F249 HydrophobicContact CB-CZ 4.09Å; H218-W402 AromaticContact CD2-CD1 3.74Å
219	L	92	Very high	93.4	Very high	71 Å²	71	51.9 Å²	51.9	37%	0.372	27%	0.272	S	S	.	.	H	α-helix	trans	-56.4	-38.2	177.3	-81.6	173.1	0	0	0	114	A216 L221 L222 E223 V253	A216-L219 WeakPolarHBondContact O-CG 3.5Å; A216-L219 PolarHBondContact O-N 2.83Å; L219-L221 PolarHBondContact O-N 2.94Å; L219-L222 WeakPolarHBondContact O-CB 3.45Å; L219-L222 PolarHBondContact O-N 2.88Å; L219-E223 PolarHBondContact O-N 3.09Å; L219-V253 HydrophobicContact CD1-CG1 3.85Å; L219-V253 HydrophobicContact CD2-CB 4.35Å; L219-V253 HydrophobicContact CD2-CG1 3.59Å; L219-V253 HydrophobicContact CG-CG1 3.8Å
220	A	92.5	Very high	93.3	Very high	51 Å²	51	51 Å²	51	42%	0.421	27%	0.265	S	S	.	.	H	α-helix	trans	-62.2	-29.6	177.2	0	0	0	0	0	112.9	H218 L222 E223 F224 W402	H218-A220 VanDerWaalsContact C-N 3.28Å; H218-A220 PolarHBondContact O-N 3.37Å; A220-L222 VanDerWaalsContact C-N 3.33Å; A220-E223 PolarHBondContact O-N 3.38Å; A220-F224 WeakPolarHBondContact O-CB 3.44Å; A220-F224 PolarHBondContact O-N 3.44Å; A220-W402 HydrophobicContact CB-CZ2 3.88Å
221	L	93.6	Very high	92.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-37.7	173.5	169.9	62.4	0	0	0	111.2	H218 L219 E223 F224 Y225 L362 F365 L366 W402 I406	H218-L221 VanDerWaalsContact O-CB 3.28Å; H218-L221 WeakPolarHBondContact O-CB 3.48Å; H218-L221 PolarHBondContact O-N 3.05Å; L219-L221 PolarHBondContact O-N 2.94Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.09Å; L221-F224 HydrophobicContact CD1-CD1 4.34Å; L221-F224 PolarHBondContact O-N 2.87Å; L221-Y225 WeakPolarHBondContact O-CB 3.47Å; L221-Y225 PolarHBondContact O-N 2.89Å; L221-L362 HydrophobicContact CD1-CD2 4.49Å; L221-L362 HydrophobicContact CD2-CD1 4.12Å; L221-L362 HydrophobicContact CD2-CD2 4.13Å; L221-L362 HydrophobicContact CG-CD2 4.08Å; L221-F365 HydrophobicContact CD1-CE1 4.49Å; L221-L366 HydrophobicContact CD1-CD1 4.16Å; L221-L366 HydrophobicContact CD1-CD2 3.68Å; L221-L366 HydrophobicContact CD1-CG 4.13Å; L221-L366 HydrophobicContact CD2-CD1 3.86Å; L221-W402 HydrophobicContact CB-CD2 3.95Å; L221-W402 HydrophobicContact CB-CE3 4.38Å; L221-W402 HydrophobicContact CB-CG 4.15Å; L221-W402 HydrophobicContact CB-CZ2 4.45Å; L221-W402 HydrophobicContact CD1-CB 4.44Å; L221-W402 HydrophobicContact CD1-CD2 4.06Å; L221-W402 HydrophobicContact CD1-CE3 3.78Å; L221-W402 HydrophobicContact CD1-CG 4.38Å; L221-W402 HydrophobicContact CD1-CZ3 4.32Å; L221-W402 HydrophobicContact CD2-CB 4.3Å; L221-W402 HydrophobicContact CD2-CG 4.47Å; L221-I406 HydrophobicContact CD2-CD1 3.93Å; L221-I406 HydrophobicContact CD2-CG1 3.82Å
222	L	92.1	Very high	92.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-29.7	179.1	-87.3	63.6	0	0	0	112.2	L219 A220 G226 L246 F249 R250 L362	L219-L222 WeakPolarHBondContact O-CB 3.45Å; L219-L222 PolarHBondContact O-N 2.88Å; A220-L222 VanDerWaalsContact C-N 3.33Å; L222-G226 PolarHBondContact O-N 2.93Å; L222-L246 HydrophobicContact CD1-CD1 4.49Å; L222-L246 HydrophobicContact CG-CD1 4.03Å; L222-F249 HydrophobicContact CD1-CD1 3.79Å; L222-F249 HydrophobicContact CD1-CE1 3.45Å; L222-F249 VanDerWaalsContact CD1-CE1 3.45Å; L222-F249 HydrophobicContact CD1-CE2 4.25Å; L222-F249 HydrophobicContact CD1-CG 4.34Å; L222-F249 HydrophobicContact CD1-CZ 3.72Å; L222-F249 HydrophobicContact CD2-CD1 3.42Å; L222-F249 VanDerWaalsContact CD2-CD1 3.42Å; L222-F249 HydrophobicContact CD2-CE1 3.74Å; L222-F249 HydrophobicContact CD2-CG 4.24Å; L222-F249 HydrophobicContact CG-CD1 4.19Å; L222-F249 HydrophobicContact CG-CE1 4.25Å; L222-R250 HydrophobicContact CD2-CG 3.56Å; L222-R250 PolarHBondContact O-NH2 2.97Å; L222-L362 HydrophobicContact CD1-CD1 4.07Å
223	E	91.2	Very high	92.2	Very high	122 Å²	122	53.3 Å²	53.3	57%	0.57	29%	0.29	S	S	*	.	H	α-helix	trans	-69.9	-50.7	171.6	-67.7	173	170	0	0	109.8	L219 A220 L221 Y225 G226 E227	L219-E223 PolarHBondContact O-N 3.09Å; A220-E223 PolarHBondContact O-N 3.38Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.09Å; E223-Y225 VanDerWaalsContact C-N 3.33Å; E223-Y225 PolarHBondContact O-N 3.44Å; E223-G226 WeakPolarHBondContact O-CA 3.46Å; E223-G226 PolarHBondContact O-N 3.42Å; E223-E227 WeakPolarHBondContact O-CG 3.44Å; E223-E227 PolarHBondContact O-N 3.47Å
224	F	91.8	Very high	91.9	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	29%	0.294	C	S	.	.	H	α-helix	trans	-56.2	-43.4	175.8	176.1	-119.4	0	0	0	113.1	A220 L221 G226 E227 F228 F365 I394 I399 W402	A220-F224 WeakPolarHBondContact O-CB 3.44Å; A220-F224 PolarHBondContact O-N 3.44Å; L221-F224 HydrophobicContact CD1-CD1 4.34Å; L221-F224 PolarHBondContact O-N 2.87Å; F224-G226 VanDerWaalsContact C-N 3.33Å; F224-G226 PolarHBondContact O-N 3.37Å; F224-E227 PolarHBondContact O-N 3Å; F224-F228 WeakPolarHBondContact O-CB 3.43Å; F224-F228 PolarHBondContact O-N 3.27Å; F224-F365 AromaticContact CD1-CE1 3.78Å; F224-F365 HydrophobicContact CD1-CE1 3.78Å; F224-F365 HydrophobicContact CD1-CZ 4Å; F224-F365 AromaticContact CE1-CE1 3.66Å; F224-F365 HydrophobicContact CE1-CE1 3.66Å; F224-F365 AromaticContact CE1-CZ 3.59Å; F224-F365 HydrophobicContact CE1-CZ 3.59Å; F224-F365 HydrophobicContact CZ-CZ 4.27Å; F224-I394 HydrophobicContact CB-CD1 4.11Å; F224-I394 HydrophobicContact CD2-CD1 3.23Å; F224-I394 HydrophobicContact CE2-CD1 3.67Å; F224-I394 HydrophobicContact CG-CD1 3.72Å; F224-I394 HydrophobicContact CZ-CD1 4.47Å; F224-I399 HydrophobicContact CE1-CD1 4.46Å; F224-I399 HydrophobicContact CZ-CD1 4.41Å; F224-W402 HydrophobicContact CB-CH2 4.09Å; F224-W402 HydrophobicContact CB-CZ3 4.12Å; F224-W402 HydrophobicContact CD1-CE3 4.38Å; F224-W402 HydrophobicContact CD1-CH2 4.48Å; F224-W402 AromaticContact CD1-CZ3 3.68Å; F224-W402 HydrophobicContact CD1-CZ3 3.68Å; F224-W402 HydrophobicContact CE1-CZ3 4.32Å; F224-W402 HydrophobicContact CG-CH2 4.37Å; F224-W402 AromaticContact CG-CZ3 3.99Å; F224-W402 HydrophobicContact CG-CZ3 3.99Å
225	Y	93	Very high	91.7	Very high	34 Å²	34	51.3 Å²	51.3	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-40	175.7	-177.6	-110.6	0	0	0	112.4	L221 E223 T229 L246 E361 L362 F365	L221-Y225 WeakPolarHBondContact O-CB 3.47Å; L221-Y225 PolarHBondContact O-N 2.89Å; E223-Y225 VanDerWaalsContact C-N 3.33Å; E223-Y225 PolarHBondContact O-N 3.44Å; Y225-T229 WeakPolarHBondContact O-CB 3.36Å; Y225-T229 PolarHBondContact O-N 3.21Å; Y225-T229 PolarHBondContact O-OG1 3.35Å; Y225-L246 HydrophobicContact CD1-CD1 3.54Å; Y225-L246 HydrophobicContact CD1-CG 4.21Å; Y225-L246 HydrophobicContact CE1-CD1 3.96Å; Y225-L246 HydrophobicContact CE1-CG 4.15Å; Y225-L246 HydrophobicContact CG-CD1 4.25Å; Y225-E361 WeakPolarHBondContact CE1-OE1 3.41Å; Y225-E361 VanDerWaalsContact CZ-OE1 3.27Å; Y225-E361 PolarHBondContact OH-OE1 2.91Å; Y225-L362 HydrophobicContact CD2-CD2 4.44Å; Y225-L362 HydrophobicContact CG-CD2 4.19Å; Y225-F365 HydrophobicContact CD2-CB 4.28Å; Y225-F365 AromaticContact CD2-CD1 3.62Å; Y225-F365 HydrophobicContact CD2-CD1 3.62Å; Y225-F365 AromaticContact CD2-CD2 3.92Å; Y225-F365 HydrophobicContact CD2-CD2 3.92Å; Y225-F365 AromaticContact CD2-CE1 3.84Å; Y225-F365 HydrophobicContact CD2-CE1 3.84Å; Y225-F365 HydrophobicContact CD2-CE2 4.14Å; Y225-F365 AromaticContact CD2-CG 3.65Å; Y225-F365 HydrophobicContact CD2-CG 3.65Å; Y225-F365 HydrophobicContact CD2-CZ 4.09Å; Y225-F365 HydrophobicContact CE2-CB 4.1Å; Y225-F365 HydrophobicContact CE2-CD1 4.28Å; Y225-F365 AromaticContact CE2-CD2 3.98Å; Y225-F365 HydrophobicContact CE2-CD2 3.98Å; Y225-F365 AromaticContact CE2-CG 3.85Å; Y225-F365 HydrophobicContact CE2-CG 3.85Å
226	G	91.5	Very high	91.4	Very high	10 Å²	10	55.8 Å²	55.8	10%	0.103	33%	0.325	C	S	.	.	H	α-helix	trans	-64.5	-48.4	176.6	0	0	0	0	0	112.1	L222 E223 F224 F228 T229 E230	L222-G226 PolarHBondContact O-N 2.93Å; E223-G226 WeakPolarHBondContact O-CA 3.46Å; E223-G226 PolarHBondContact O-N 3.42Å; F224-G226 VanDerWaalsContact C-N 3.33Å; F224-G226 PolarHBondContact O-N 3.37Å; G226-F228 VanDerWaalsContact C-N 3.34Å; G226-F228 PolarHBondContact O-N 3.11Å; G226-T229 WeakPolarHBondContact O-CB 3.4Å; G226-T229 PolarHBondContact O-N 3.03Å; G226-E230 WeakPolarHBondContact O-CG 3.45Å; G226-E230 PolarHBondContact O-N 3.17Å
227	E	90.1	Very high	91.1	Very high	115 Å²	115	55.1 Å²	55.1	54%	0.537	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-43.6	177.2	-70.7	174	-177.3	0	0	111.8	E223 F224 T229 E230 S231	E223-E227 WeakPolarHBondContact O-CG 3.44Å; E223-E227 PolarHBondContact O-N 3.47Å; F224-E227 PolarHBondContact O-N 3Å; E227-T229 VanDerWaalsContact C-N 3.34Å; E227-T229 PolarHBondContact O-N 3.06Å; E227-E230 PolarHBondContact O-N 2.82Å; E227-S231 WeakPolarHBondContact O-CB 3.07Å; E227-S231 PolarHBondContact O-N 3.2Å
228	F	90.2	Very high	91	Very high	44 Å²	44	54.1 Å²	54.1	19%	0.193	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-44.7	174.6	178.6	-95.1	0	0	0	111.7	F224 G226 E230 S231 V232 F365 R369	F224-F228 WeakPolarHBondContact O-CB 3.43Å; F224-F228 PolarHBondContact O-N 3.27Å; G226-F228 VanDerWaalsContact C-N 3.34Å; G226-F228 PolarHBondContact O-N 3.11Å; F228-E230 VanDerWaalsContact C-N 3.34Å; F228-E230 PolarHBondContact O-N 2.99Å; F228-S231 WeakPolarHBondContact O-CB 3.43Å; F228-S231 PolarHBondContact O-N 2.99Å; F228-V232 HydrophobicContact CD1-CG2 4.13Å; F228-V232 HydrophobicContact CD2-CG2 4.49Å; F228-V232 HydrophobicContact CE1-CG2 3.58Å; F228-V232 HydrophobicContact CE2-CG2 3.96Å; F228-V232 HydrophobicContact CZ-CG2 3.48Å; F228-V232 VanDerWaalsContact CZ-CG2 3.48Å; F228-V232 WeakPolarHBondContact O-CG2 3.36Å; F228-V232 PolarHBondContact O-N 3.38Å; F228-F365 HydrophobicContact CB-CE2 4.23Å; F228-F365 HydrophobicContact CB-CZ 4.08Å; F228-F365 HydrophobicContact CD1-CD2 4.21Å; F228-F365 AromaticContact CD1-CE2 3.38Å; F228-F365 HydrophobicContact CD1-CE2 3.38Å; F228-F365 HydrophobicContact CD1-CZ 4.1Å; F228-F365 HydrophobicContact CD2-CE2 4.25Å; F228-F365 HydrophobicContact CE1-CD2 4.31Å; F228-F365 AromaticContact CE1-CE2 3.73Å; F228-F365 HydrophobicContact CE1-CE2 3.73Å; F228-F365 AromaticContact CG-CE2 3.66Å; F228-F365 HydrophobicContact CG-CE2 3.66Å; F228-F365 AromaticContact CG-CZ 3.98Å; F228-F365 HydrophobicContact CG-CZ 3.98Å; F228-F365 HydrophobicContact CZ-CE2 4.32Å; F228-R369 VanDerWaalsContact CZ-NH2 3.3Å
229	T	90.7	Very high	90.6	Very high	31 Å²	31	59.4 Å²	59.4	19%	0.19	34%	0.336	C	S	.	.	H	α-helix	trans	-62.6	-42.2	178.8	-55.7	0	0	0	0	111.4	Y225 G226 E227 V232 L233 L237	Y225-T229 WeakPolarHBondContact O-CB 3.36Å; Y225-T229 PolarHBondContact O-N 3.21Å; Y225-T229 PolarHBondContact O-OG1 3.35Å; G226-T229 WeakPolarHBondContact O-CB 3.4Å; G226-T229 PolarHBondContact O-N 3.03Å; E227-T229 VanDerWaalsContact C-N 3.34Å; E227-T229 PolarHBondContact O-N 3.06Å; T229-V232 PolarHBondContact O-N 3Å; T229-L233 HydrophobicContact CG2-CD1 3.92Å; T229-L233 HydrophobicContact CG2-CG 4.4Å; T229-L233 WeakPolarHBondContact O-CB 3.39Å; T229-L233 VanDerWaalsContact O-CG 3.22Å; T229-L233 WeakPolarHBondContact O-CG 3.24Å; T229-L233 PolarHBondContact O-N 2.62Å; T229-L237 HydrophobicContact CG2-CD1 4.32Å; T229-L237 HydrophobicContact CG2-CD2 4.03Å
230	E	91.4	Very high	90.5	Very high	57 Å²	57	64 Å²	64	27%	0.266	36%	0.355	S	S	.	.	H	α-helix	trans	-63.2	-40.7	175.8	-71.6	-177.3	171.8	0	0	112.4	G226 E227 F228 L233 G234 R235 L237	G226-E230 WeakPolarHBondContact O-CG 3.45Å; G226-E230 PolarHBondContact O-N 3.17Å; E227-E230 PolarHBondContact O-N 2.82Å; F228-E230 VanDerWaalsContact C-N 3.34Å; F228-E230 PolarHBondContact O-N 2.99Å; E230-L233 PolarHBondContact O-N 3.31Å; E230-G234 PolarHBondContact O-N 3.22Å; E230-R235 WeakPolarHBondContact CA-O 3.28Å; E230-R235 PolarHBondContact O-N 3.3Å; E230-L237 HydrophobicContact CG-CB 4.18Å; E230-L237 HydrophobicContact CG-CD1 3.97Å; E230-L237 HydrophobicContact CG-CG 3.65Å; E230-L237 PolarHBondContact OE1-N 2.97Å
231	S	86.8	Confident	90.4	Very high	47 Å²	47	64.9 Å²	64.9	33%	0.329	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-49.4	175.4	179.2	0	0	0	0	111.7	E227 F228 L233 G234	E227-S231 WeakPolarHBondContact O-CB 3.07Å; E227-S231 PolarHBondContact O-N 3.2Å; F228-S231 WeakPolarHBondContact O-CB 3.43Å; F228-S231 PolarHBondContact O-N 2.99Å; S231-L233 VanDerWaalsContact C-N 3.31Å; S231-L233 PolarHBondContact O-N 3.4Å; S231-G234 PolarHBondContact O-N 3.07Å; S231-G234 VanDerWaalsContact O-N 3.12Å
232	V	87.7	Confident	90	Very high	76 Å²	76	70 Å²	70	46%	0.461	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-36.1	178	173.5	0	0	0	0	112	F228 T229 G234	F228-V232 HydrophobicContact CD1-CG2 4.13Å; F228-V232 HydrophobicContact CD2-CG2 4.49Å; F228-V232 HydrophobicContact CE1-CG2 3.58Å; F228-V232 HydrophobicContact CE2-CG2 3.96Å; F228-V232 HydrophobicContact CZ-CG2 3.48Å; F228-V232 VanDerWaalsContact CZ-CG2 3.48Å; F228-V232 WeakPolarHBondContact O-CG2 3.36Å; F228-V232 PolarHBondContact O-N 3.38Å; T229-V232 PolarHBondContact O-N 3Å; V232-G234 VanDerWaalsContact C-N 3.32Å
233	L	89.3	Confident	89.7	Confident	86 Å²	86	77.6 Å²	77.6	45%	0.45	41%	0.406	S	S	.	.	H	α-helix	trans	-77.3	-16.3	176.8	-70	175.4	0	0	0	113.5	T229 E230 S231 R235 L237	T229-L233 HydrophobicContact CG2-CD1 3.92Å; T229-L233 HydrophobicContact CG2-CG 4.4Å; T229-L233 WeakPolarHBondContact O-CB 3.39Å; T229-L233 VanDerWaalsContact O-CG 3.22Å; T229-L233 WeakPolarHBondContact O-CG 3.24Å; T229-L233 PolarHBondContact O-N 2.62Å; E230-L233 PolarHBondContact O-N 3.31Å; S231-L233 VanDerWaalsContact C-N 3.31Å; S231-L233 PolarHBondContact O-N 3.4Å; L233-R235 HydrophobicContact CB-CG 4.15Å; L233-R235 PolarHBondContact O-N 3.19Å; L233-L237 HydrophobicContact CD1-CD2 3.72Å
234	G	89	Confident	89.5	Confident	71 Å²	71	74 Å²	74	73%	0.732	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	18.3	-174.3	0	0	0	0	0	114	E230 S231 V232	E230-G234 PolarHBondContact O-N 3.22Å; S231-G234 PolarHBondContact O-N 3.07Å; S231-G234 VanDerWaalsContact O-N 3.12Å; V232-G234 VanDerWaalsContact C-N 3.32Å
235	R	92	Very high	89.5	Confident	105 Å²	105	74.7 Å²	74.7	40%	0.396	41%	0.408	S	S	.	.	S	Bend	trans	-153.2	154.1	179.6	66.4	167.7	-179.9	88	-3.7	111	E230 L233 E241	E230-R235 WeakPolarHBondContact CA-O 3.28Å; E230-R235 PolarHBondContact O-N 3.3Å; L233-R235 HydrophobicContact CB-CG 4.15Å; L233-R235 PolarHBondContact O-N 3.19Å; R235-E241 IonicContact CZ-OE1 3.64Å; R235-E241 IonicContact CZ-OE2 3.61Å; R235-E241 IonicContact NH1-OE1 3.37Å; R235-E241 IonicContact NH1-OE2 3.89Å; R235-E241 PolarHBondContact NH1-OE2 3.28Å; R235-E241 IonicContact NH2-OE1 2.63Å; R235-E241 PolarHBondContact NH2-OE1 2.86Å; R235-E241 IonicContact NH2-OE2 3.6Å; R235-E241 PolarHBondContact NH2-OE2 3.04Å
236	P	90.1	Very high	89.5	Confident	94 Å²	94	73.1 Å²	73.1	61%	0.61	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-61.7	146	170.3	26.5	-34.3	0	0	0	111.1
237	L	89	Confident	89.6	Confident	25 Å²	25	77.9 Å²	77.9	13%	0.131	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-67.1	138.8	173.6	-73.7	165	0	0	0	108.7	T229 E230 L233 E241 K242	T229-L237 HydrophobicContact CG2-CD1 4.32Å; T229-L237 HydrophobicContact CG2-CD2 4.03Å; E230-L237 HydrophobicContact CG-CB 4.18Å; E230-L237 HydrophobicContact CG-CD1 3.97Å; E230-L237 HydrophobicContact CG-CG 3.65Å; E230-L237 PolarHBondContact OE1-N 2.97Å; L233-L237 HydrophobicContact CD1-CD2 3.72Å; L237-E241 HydrophobicContact CB-CB 4.32Å; L237-E241 HydrophobicContact CD2-CB 3.82Å; L237-K242 HydrophobicContact CB-CB 4.31Å
238	T	91.4	Very high	89.9	Confident	66 Å²	66	72.5 Å²	72.5	41%	0.405	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-64.6	157.1	168.7	62.6	0	0	0	0	109.9	E240 E241 K242	T238-E240 PolarHBondContact O-N 2.9Å; T238-E240 VanDerWaalsContact O-N 3.13Å; T238-E241 WeakPolarHBondContact CB-OE2 3.19Å; T238-E241 WeakPolarHBondContact CG2-OE2 3.46Å; T238-E241 PolarHBondContact N-OE2 3.47Å; T238-E241 PolarHBondContact O-N 2.91Å; T238-E241 VanDerWaalsContact O-N 3.14Å; T238-E241 WeakPolarHBondContact OG1-CB 3.02Å; T238-E241 WeakPolarHBondContact OG1-CG 3.38Å; T238-E241 PolarHBondContact OG1-N 3.08Å; T238-E241 PolarHBondContact OG1-OE2 3.46Å; T238-K242 PolarHBondContact O-N 2.89Å
239	N	87.8	Confident	90.1	Very high	130 Å²	130	70.4 Å²	70.4	70%	0.695	39%	0.386	S	S	*	.	H	α-helix	trans	-56.9	-30.1	177	-74.6	-35	0	0	0	112.9	K243	N239-K243 WeakPolarHBondContact O-CB 3.48Å; N239-K243 WeakPolarHBondContact O-CD 2.88Å; N239-K243 WeakPolarHBondContact O-CG 3.44Å; N239-K243 PolarHBondContact O-N 2.72Å
240	E	89	Confident	90.3	Very high	166 Å²	166	71.6 Å²	71.6	78%	0.776	39%	0.387	S	S	*	.	H	α-helix	trans	-74.7	-44.4	176.9	-65.2	-172.8	169.4	0	0	111.7	T238 K242 K243 G244	T238-E240 PolarHBondContact O-N 2.9Å; T238-E240 VanDerWaalsContact O-N 3.13Å; E240-K242 PolarHBondContact O-N 3.09Å; E240-K243 PolarHBondContact O-N 3.49Å; E240-G244 PolarHBondContact O-N 2.9Å
241	E	90.1	Very high	90.4	Very high	71 Å²	71	70.6 Å²	70.6	33%	0.332	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-44.2	175.9	-69.5	163.7	147.1	0	0	111.3	R235 L237 T238 K243 G244 S245	R235-E241 IonicContact CZ-OE1 3.64Å; R235-E241 IonicContact CZ-OE2 3.61Å; R235-E241 IonicContact NH1-OE1 3.37Å; R235-E241 IonicContact NH1-OE2 3.89Å; R235-E241 PolarHBondContact NH1-OE2 3.28Å; R235-E241 IonicContact NH2-OE1 2.63Å; R235-E241 PolarHBondContact NH2-OE1 2.86Å; R235-E241 IonicContact NH2-OE2 3.6Å; R235-E241 PolarHBondContact NH2-OE2 3.04Å; L237-E241 HydrophobicContact CB-CB 4.32Å; L237-E241 HydrophobicContact CD2-CB 3.82Å; T238-E241 WeakPolarHBondContact CB-OE2 3.19Å; T238-E241 WeakPolarHBondContact CG2-OE2 3.46Å; T238-E241 PolarHBondContact N-OE2 3.47Å; T238-E241 PolarHBondContact O-N 2.91Å; T238-E241 VanDerWaalsContact O-N 3.14Å; T238-E241 WeakPolarHBondContact OG1-CB 3.02Å; T238-E241 WeakPolarHBondContact OG1-CG 3.38Å; T238-E241 PolarHBondContact OG1-N 3.08Å; T238-E241 PolarHBondContact OG1-OE2 3.46Å; E241-K243 VanDerWaalsContact C-N 3.31Å; E241-K243 PolarHBondContact O-N 3.36Å; E241-G244 PolarHBondContact O-N 2.73Å; E241-S245 WeakPolarHBondContact O-CB 3.49Å; E241-S245 PolarHBondContact O-N 3.35Å
242	K	86.6	Confident	90.9	Very high	107 Å²	107	68.4 Å²	68.4	47%	0.465	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-34.7	177.3	-169.7	168.6	-174.5	164.4	0	112.8	L237 T238 E240	L237-K242 HydrophobicContact CB-CB 4.31Å; T238-K242 PolarHBondContact O-N 2.89Å; E240-K242 PolarHBondContact O-N 3.09Å
243	K	84.6	Confident	91.2	Very high	159 Å²	159	66 Å²	66	69%	0.691	35%	0.351	S	S	*	.	H	α-helix	trans	-76	-29.3	174.6	-76.7	175.1	-177.1	-178.7	0	113	N239 E240 E241	N239-K243 WeakPolarHBondContact O-CB 3.48Å; N239-K243 WeakPolarHBondContact O-CD 2.88Å; N239-K243 WeakPolarHBondContact O-CG 3.44Å; N239-K243 PolarHBondContact O-N 2.72Å; E240-K243 PolarHBondContact O-N 3.49Å; E241-K243 VanDerWaalsContact C-N 3.31Å; E241-K243 PolarHBondContact O-N 3.36Å
244	G	88.2	Confident	91.3	Very high	48 Å²	48	67.4 Å²	67.4	50%	0.495	36%	0.36	S	S	.	.	H	α-helix	trans	-81.3	-30.1	179	0	0	0	0	0	113.7	E240 E241 L246	E240-G244 PolarHBondContact O-N 2.9Å; E241-G244 PolarHBondContact O-N 2.73Å; G244-L246 PolarHBondContact O-N 3.45Å
245	S	90.7	Very high	91.5	Very high	26 Å²	26	69 Å²	69	18%	0.182	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	127	177.3	178.9	0	0	0	0	111.6	E241 K247	E241-S245 WeakPolarHBondContact O-CB 3.49Å; E241-S245 PolarHBondContact O-N 3.35Å; S245-K247 PolarHBondContact O-N 2.95Å
246	L	94.1	Very high	91.6	Very high	2 Å²	2	65 Å²	65	1%	0.01	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	44	179.6	-54.4	171.4	0	0	0	112	L222 Y225 G244 M248 F249 R250 D358 E361 L362	L222-L246 HydrophobicContact CD1-CD1 4.49Å; L222-L246 HydrophobicContact CG-CD1 4.03Å; Y225-L246 HydrophobicContact CD1-CD1 3.54Å; Y225-L246 HydrophobicContact CD1-CG 4.21Å; Y225-L246 HydrophobicContact CE1-CD1 3.96Å; Y225-L246 HydrophobicContact CE1-CG 4.15Å; Y225-L246 HydrophobicContact CG-CD1 4.25Å; G244-L246 PolarHBondContact O-N 3.45Å; L246-M248 PolarHBondContact O-N 3.49Å; L246-F249 HydrophobicContact CB-CB 4.3Å; L246-F249 PolarHBondContact O-N 2.92Å; L246-R250 WeakPolarHBondContact O-CB 3.31Å; L246-R250 WeakPolarHBondContact O-CG 3.48Å; L246-R250 PolarHBondContact O-N 3.25Å; L246-D358 HydrophobicContact CB-CB 4.43Å; L246-D358 HydrophobicContact CD2-CB 3.8Å; L246-D358 WeakPolarHBondContact CD2-O 3.46Å; L246-E361 HydrophobicContact CD2-CB 4.42Å; L246-E361 HydrophobicContact CD2-CG 4.42Å; L246-L362 HydrophobicContact CD1-CD1 4.07Å; L246-L362 HydrophobicContact CD1-CD2 3.57Å; L246-L362 HydrophobicContact CD1-CG 3.87Å; L246-L362 HydrophobicContact CD2-CD1 4.41Å; L246-L362 HydrophobicContact CD2-CD2 4.4Å; L246-L362 HydrophobicContact CD2-CG 3.94Å
247	K	93.1	Very high	91.8	Very high	110 Å²	110	61.9 Å²	61.9	48%	0.478	32%	0.318	S	S	.	.	H	α-helix	trans	-59.9	-42.1	-165.7	-179.4	-179.5	176.8	-175.3	0	112.6	S245 F251 D358	S245-K247 PolarHBondContact O-N 2.95Å; K247-F251 VanDerWaalsContact O-CB 3.27Å; K247-F251 WeakPolarHBondContact O-CB 3.45Å; K247-F251 PolarHBondContact O-N 2.95Å; K247-D358 PolarHBondContact N-OD2 3.29Å
248	M	95.6	Very high	92.1	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-75.9	-41	-177.3	-174.6	56.9	62.1	0	0	110.9	L246 F251 L252 W263 L345 S351 L354 L355 D358	L246-M248 PolarHBondContact O-N 3.49Å; M248-F251 PolarHBondContact O-N 2.99Å; M248-L252 HydrophobicContact CG-CD1 4.1Å; M248-L252 PolarHBondContact O-N 3.28Å; M248-L252 HydrophobicContact SD-CD1 4.36Å; M248-L252 HydrophobicContact SD-CG 4.32Å; M248-W263 HydrophobicContact CE-CD2 3.87Å; M248-W263 HydrophobicContact CE-CG 4.24Å; M248-W263 HydrophobicContact CE-CH2 4.29Å; M248-W263 HydrophobicContact CE-CZ2 3.56Å; M248-L345 HydrophobicContact CE-CD2 4.29Å; M248-L345 HydrophobicContact SD-CD1 4.29Å; M248-L345 HydrophobicContact SD-CD2 4.13Å; M248-S351 VanDerWaalsContact CE-CB 3.47Å; M248-L354 HydrophobicContact CB-CB 3.88Å; M248-L354 HydrophobicContact CE-CB 4.17Å; M248-L354 HydrophobicContact CE-CD1 3.9Å; M248-L354 HydrophobicContact CG-CB 4.25Å; M248-L355 HydrophobicContact CB-CB 4.41Å; M248-L355 HydrophobicContact CG-CB 3.74Å; M248-D358 WeakPolarHBondContact CA-OD2 3.26Å; M248-D358 WeakPolarHBondContact CB-OD2 3.38Å; M248-D358 PolarHBondContact N-OD2 3.4Å
249	F	95.8	Very high	92.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-55.2	-54.6	172.7	-167.1	-60.4	0	0	0	110.5	L215 H218 L222 L246 F251 L252 V253 L355 D358 L359 L362 I406	L215-F249 HydrophobicContact CB-CE1 4.06Å; L215-F249 HydrophobicContact CB-CZ 4Å; L215-F249 HydrophobicContact CD2-CD2 3.64Å; L215-F249 HydrophobicContact CD2-CE1 4.22Å; L215-F249 HydrophobicContact CD2-CE2 3.27Å; L215-F249 HydrophobicContact CD2-CG 4.26Å; L215-F249 HydrophobicContact CD2-CZ 3.59Å; L215-F249 HydrophobicContact CG-CE2 4.49Å; L215-F249 HydrophobicContact CG-CZ 4.42Å; L215-F249 WeakPolarHBondContact O-CE1 3.16Å; L215-F249 WeakPolarHBondContact O-CZ 3.32Å; H218-F249 HydrophobicContact CB-CZ 4.09Å; L222-F249 HydrophobicContact CD1-CD1 3.79Å; L222-F249 HydrophobicContact CD1-CE1 3.45Å; L222-F249 VanDerWaalsContact CD1-CE1 3.45Å; L222-F249 HydrophobicContact CD1-CE2 4.25Å; L222-F249 HydrophobicContact CD1-CG 4.34Å; L222-F249 HydrophobicContact CD1-CZ 3.72Å; L222-F249 HydrophobicContact CD2-CD1 3.42Å; L222-F249 VanDerWaalsContact CD2-CD1 3.42Å; L222-F249 HydrophobicContact CD2-CE1 3.74Å; L222-F249 HydrophobicContact CD2-CG 4.24Å; L222-F249 HydrophobicContact CG-CD1 4.19Å; L222-F249 HydrophobicContact CG-CE1 4.25Å; L246-F249 HydrophobicContact CB-CB 4.3Å; L246-F249 PolarHBondContact O-N 2.92Å; F249-F251 VanDerWaalsContact C-N 3.27Å; F249-F251 PolarHBondContact O-N 2.8Å; F249-L252 PolarHBondContact O-N 2.86Å; F249-V253 HydrophobicContact CD1-CG2 3.86Å; F249-V253 HydrophobicContact CE1-CG2 3.7Å; F249-V253 WeakPolarHBondContact O-CG2 3.19Å; F249-V253 PolarHBondContact O-N 3.13Å; F249-V253 VanDerWaalsContact O-N 3.11Å; F249-L355 HydrophobicContact CB-CD1 4.44Å; F249-D358 HydrophobicContact CB-CB 4.1Å; F249-D358 PolarHBondContact N-OD2 3.34Å; F249-L359 HydrophobicContact CD2-CD2 3.85Å; F249-L359 HydrophobicContact CE2-CD2 3.75Å; F249-L362 HydrophobicContact CD2-CD1 3.9Å; F249-L362 HydrophobicContact CE2-CD1 3.82Å; F249-I406 HydrophobicContact CE2-CD1 4.17Å
250	R	93.6	Very high	92.4	Very high	56 Å²	56	54.4 Å²	54.4	21%	0.211	28%	0.277	C	S	.	.	H	α-helix	trans	-59.1	-39.6	179.3	-76.3	-174	-178.3	-77.9	-0.3	112	L222 L246 N254	L222-R250 HydrophobicContact CD2-CG 3.56Å; L222-R250 PolarHBondContact O-NH2 2.97Å; L246-R250 WeakPolarHBondContact O-CB 3.31Å; L246-R250 WeakPolarHBondContact O-CG 3.48Å; L246-R250 PolarHBondContact O-N 3.25Å; R250-N254 WeakPolarHBondContact O-CB 3.25Å; R250-N254 VanDerWaalsContact O-CG 3.28Å; R250-N254 PolarHBondContact O-N 3.03Å; R250-N254 VanDerWaalsContact O-N 3.16Å; R250-N254 PolarHBondContact O-ND2 3.11Å; R250-N254 VanDerWaalsContact O-ND2 3.1Å
251	F	94.7	Very high	92.6	Very high	36 Å²	36	47.5 Å²	47.5	16%	0.158	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-48	179.6	-169.3	-85.6	0	0	0	111.8	K247 M248 F249 V253 N254 H255 V258 W263 L345	K247-F251 VanDerWaalsContact O-CB 3.27Å; K247-F251 WeakPolarHBondContact O-CB 3.45Å; K247-F251 PolarHBondContact O-N 2.95Å; M248-F251 PolarHBondContact O-N 2.99Å; F249-F251 VanDerWaalsContact C-N 3.27Å; F249-F251 PolarHBondContact O-N 2.8Å; F251-V253 VanDerWaalsContact C-N 3.32Å; F251-V253 PolarHBondContact O-N 2.88Å; F251-N254 PolarHBondContact O-N 3.34Å; F251-H255 HydrophobicContact CD1-CB 4.19Å; F251-H255 AromaticContact CD2-CD2 3.61Å; F251-H255 HydrophobicContact CE1-CB 3.8Å; F251-H255 AromaticContact CE2-CD2 3.52Å; F251-H255 AromaticContact CE2-NE2 3.92Å; F251-H255 AromaticContact CG-CD2 3.99Å; F251-H255 HydrophobicContact CZ-CB 4.05Å; F251-H255 AromaticContact CZ-CD2 3.8Å; F251-H255 AromaticContact CZ-CG 3.87Å; F251-H255 WeakPolarHBondContact O-CB 3.44Å; F251-H255 PolarHBondContact O-N 3.38Å; F251-V258 HydrophobicContact CE1-CG2 3.66Å; F251-V258 HydrophobicContact CZ-CG2 4.27Å; F251-W263 HydrophobicContact CD1-CB 4.42Å; F251-W263 AromaticContact CD1-CD1 3.6Å; F251-W263 HydrophobicContact CD1-CG 4.4Å; F251-W263 AromaticContact CD2-CD1 3.65Å; F251-W263 HydrophobicContact CE1-CB 3.85Å; F251-W263 AromaticContact CE1-CD1 3.8Å; F251-W263 HydrophobicContact CE1-CG 4.26Å; F251-W263 AromaticContact CE2-CD1 3.85Å; F251-W263 AromaticContact CG-CD1 3.52Å; F251-W263 HydrophobicContact CZ-CB 3.9Å; F251-W263 AromaticContact CZ-CD1 3.93Å; F251-W263 HydrophobicContact CZ-CG 4.35Å; F251-L345 HydrophobicContact CD1-CD1 3.6Å; F251-L345 HydrophobicContact CE1-CD1 3.67Å
252	L	95.7	Very high	92.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.6	-39.8	178.8	-79.8	165.8	0	0	0	112.4	V212 L215 M248 F249 G256 L345 L346 L355	V212-L252 WeakPolarHBondContact CG1-O 3.46Å; V212-L252 HydrophobicContact CG2-CD2 4.34Å; L215-L252 HydrophobicContact CD1-CB 4.09Å; L215-L252 HydrophobicContact CD1-CD1 4.01Å; M248-L252 HydrophobicContact CG-CD1 4.1Å; M248-L252 PolarHBondContact O-N 3.28Å; M248-L252 HydrophobicContact SD-CD1 4.36Å; M248-L252 HydrophobicContact SD-CG 4.32Å; F249-L252 PolarHBondContact O-N 2.86Å; L252-G256 WeakPolarHBondContact O-CA 3.32Å; L252-G256 PolarHBondContact O-N 3.15Å; L252-L345 HydrophobicContact CD2-CB 3.89Å; L252-L345 HydrophobicContact CD2-CD1 3.72Å; L252-L345 HydrophobicContact CD2-CG 4.48Å; L252-L345 HydrophobicContact CG-CD1 4.28Å; L252-L346 HydrophobicContact CD1-CD2 4.19Å; L252-L355 HydrophobicContact CD1-CB 4.47Å; L252-L355 HydrophobicContact CD1-CD1 3.88Å; L252-L355 HydrophobicContact CD1-CD2 3.67Å; L252-L355 HydrophobicContact CD1-CG 4.21Å
253	V	94.3	Very high	93.1	Very high	25 Å²	25	43.2 Å²	43.2	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-39.4	177.5	175.7	0	0	0	0	112.2	L215 A216 L219 F249 F251	L215-V253 HydrophobicContact CB-CG2 3.71Å; A216-V253 HydrophobicContact CB-CG1 3.86Å; A216-V253 HydrophobicContact CB-CG2 4.47Å; L219-V253 HydrophobicContact CD1-CG1 3.85Å; L219-V253 HydrophobicContact CD2-CB 4.35Å; L219-V253 HydrophobicContact CD2-CG1 3.59Å; L219-V253 HydrophobicContact CG-CG1 3.8Å; F249-V253 HydrophobicContact CD1-CG2 3.86Å; F249-V253 HydrophobicContact CE1-CG2 3.7Å; F249-V253 WeakPolarHBondContact O-CG2 3.19Å; F249-V253 PolarHBondContact O-N 3.13Å; F249-V253 VanDerWaalsContact O-N 3.11Å; F251-V253 VanDerWaalsContact C-N 3.32Å; F251-V253 PolarHBondContact O-N 2.88Å
254	N	92.6	Very high	93.4	Very high	116 Å²	116	40.9 Å²	40.9	62%	0.62	21%	0.214	S	C	*	.	H	α-helix	trans	-82.5	-32	-175.7	-69.9	-28.5	0	0	0	113.8	R250 F251	R250-N254 WeakPolarHBondContact O-CB 3.25Å; R250-N254 VanDerWaalsContact O-CG 3.28Å; R250-N254 PolarHBondContact O-N 3.03Å; R250-N254 VanDerWaalsContact O-N 3.16Å; R250-N254 PolarHBondContact O-ND2 3.11Å; R250-N254 VanDerWaalsContact O-ND2 3.1Å; F251-N254 PolarHBondContact O-N 3.34Å
255	H	93.2	Very high	93.4	Very high	106 Å²	106	43.2 Å²	43.2	49%	0.491	21%	0.211	S	C	.	.	H	α-helix	trans	-114.7	-16.1	-172.4	-66	-81.3	0	0	0	113.9	F251 V258	F251-H255 HydrophobicContact CD1-CB 4.19Å; F251-H255 AromaticContact CD2-CD2 3.61Å; F251-H255 HydrophobicContact CE1-CB 3.8Å; F251-H255 AromaticContact CE2-CD2 3.52Å; F251-H255 AromaticContact CE2-NE2 3.92Å; F251-H255 AromaticContact CG-CD2 3.99Å; F251-H255 HydrophobicContact CZ-CB 4.05Å; F251-H255 AromaticContact CZ-CD2 3.8Å; F251-H255 AromaticContact CZ-CG 3.87Å; F251-H255 WeakPolarHBondContact O-CB 3.44Å; F251-H255 PolarHBondContact O-N 3.38Å; H255-V258 WeakPolarHBondContact O-CG1 3.28Å
256	G	94	Very high	93.3	Very high	21 Å²	21	44.9 Å²	44.9	22%	0.216	23%	0.232	C	C	.	.			trans	79.9	-174.9	-172.3	0	0	0	0	0	113.6	L252 V258	L252-G256 WeakPolarHBondContact O-CA 3.32Å; L252-G256 PolarHBondContact O-N 3.15Å; G256-V258 PolarHBondContact O-N 2.93Å
257	N	94.4	Very high	93.1	Very high	28 Å²	28	52.1 Å²	52.1	15%	0.15	26%	0.264	C	S	.	.	S	Bend	trans	-79.9	65.3	179	-171.3	31.7	0	0	0	111.8	Q208 V212 S344 L345 L346	Q208-N257 PolarHBondContact OE1-ND2 2.97Å; V212-N257 HydrophobicContact CG2-CB 3.99Å; N257-S344 WeakPolarHBondContact ND2-CB 3.48Å; N257-S344 PolarHBondContact ND2-OG 2.95Å; N257-L345 PolarHBondContact OD1-N 3.47Å; N257-L345 VanDerWaalsContact OD1-N 3.11Å; N257-L346 PolarHBondContact OD1-N 3.27Å
258	V	93.8	Very high	92.8	Very high	30 Å²	30	51.1 Å²	51.1	18%	0.182	27%	0.268	C	S	.	.			trans	-76.3	178.3	178.5	-62.9	0	0	0	0	112.3	F251 H255 G256 E262 S344 L345	F251-V258 HydrophobicContact CE1-CG2 3.66Å; F251-V258 HydrophobicContact CZ-CG2 4.27Å; H255-V258 WeakPolarHBondContact O-CG1 3.28Å; G256-V258 PolarHBondContact O-N 2.93Å; V258-E262 HydrophobicContact CB-CB 4.37Å; V258-E262 HydrophobicContact CB-CG 4.48Å; V258-E262 WeakPolarHBondContact CB-OE2 3.2Å; V258-E262 HydrophobicContact CG2-CB 4.12Å; V258-E262 HydrophobicContact CG2-CG 4.16Å; V258-S344 CarbonylContact O-C 3.53Å; V258-S344 WeakPolarHBondContact O-CA 3.19Å; V258-L345 HydrophobicContact CG2-CD1 3.92Å; V258-L345 WeakPolarHBondContact O-CG 3.31Å; V258-L345 PolarHBondContact O-N 3.42Å
259	S	93.4	Very high	92.5	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.133	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-63.8	147.8	174.2	67.5	0	0	0	0	112.3	Y261 E262 W263 L343	S259-Y261 PolarHBondContact O-N 2.88Å; S259-E262 WeakPolarHBondContact O-CB 3.2Å; S259-E262 PolarHBondContact O-N 2.71Å; S259-E262 WeakPolarHBondContact OG-CB 3.43Å; S259-E262 PolarHBondContact OG-N 2.9Å; S259-W263 PolarHBondContact O-N 3.42Å; S259-L343 WeakPolarHBondContact CA-O 3.45Å
260	F	93.7	Very high	92.2	Very high	15 Å²	15	57.7 Å²	57.7	7%	0.066	31%	0.309	C	S	.	.	H	α-helix	trans	-59.7	-33.8	173.5	-174.8	-98.7	0	0	0	112.1	E262 W263 K264 D341 L343 L345 N348 T350 S351	F260-E262 VanDerWaalsContact C-N 3.32Å; F260-E262 PolarHBondContact O-N 3.44Å; F260-W263 AromaticContact CD2-CE3 3.92Å; F260-W263 HydrophobicContact CD2-CE3 3.92Å; F260-W263 HydrophobicContact CD2-CZ3 4.32Å; F260-W263 HydrophobicContact CE1-CE3 4.49Å; F260-W263 HydrophobicContact CE1-CZ3 4.44Å; F260-W263 AromaticContact CE2-CE3 3.48Å; F260-W263 HydrophobicContact CE2-CE3 3.48Å; F260-W263 VanDerWaalsContact CE2-CE3 3.48Å; F260-W263 HydrophobicContact CE2-CH2 4.47Å; F260-W263 AromaticContact CE2-CZ3 3.43Å; F260-W263 HydrophobicContact CE2-CZ3 3.43Å; F260-W263 VanDerWaalsContact CE2-CZ3 3.43Å; F260-W263 AromaticContact CZ-CE3 3.82Å; F260-W263 HydrophobicContact CZ-CE3 3.82Å; F260-W263 AromaticContact CZ-CZ3 3.51Å; F260-W263 HydrophobicContact CZ-CZ3 3.51Å; F260-W263 PolarHBondContact O-N 2.96Å; F260-K264 HydrophobicContact CE1-CD 4.23Å; F260-K264 WeakPolarHBondContact O-CB 3.18Å; F260-K264 PolarHBondContact O-N 3.31Å; F260-D341 WeakPolarHBondContact CD1-OD1 3.44Å; F260-L343 PolarHBondContact N-O 3.44Å; F260-L345 HydrophobicContact CD2-CD2 4.09Å; F260-N348 HydrophobicContact CB-CB 4.06Å; F260-N348 HydrophobicContact CD2-CB 3.95Å; F260-N348 WeakPolarHBondContact CD2-OD1 2.98Å; F260-N348 WeakPolarHBondContact CE2-OD1 2.91Å; F260-N348 HydrophobicContact CG-CB 4.16Å; F260-N348 VanDerWaalsContact CG-ND2 3.32Å; F260-N348 WeakPolarHBondContact CG-ND2 3.13Å; F260-T350 HydrophobicContact CE2-CG2 4.24Å; F260-T350 HydrophobicContact CZ-CG2 4.11Å; F260-S351 WeakPolarHBondContact CD2-OG 3.17Å
261	Y	93.3	Very high	91.9	Very high	21 Å²	21	57.2 Å²	57.2	8%	0.082	32%	0.317	C	S	.	.	H	α-helix	trans	-53.4	-48.1	171	-178.6	-81.7	0	0	0	112.1	S259 W263 K264 H265 P269 D334 A337 D341	S259-Y261 PolarHBondContact O-N 2.88Å; Y261-W263 VanDerWaalsContact C-N 3.34Å; Y261-W263 PolarHBondContact O-N 3.09Å; Y261-K264 PolarHBondContact O-N 3.09Å; Y261-H265 HydrophobicContact CD1-CB 4.44Å; Y261-H265 AromaticContact CD1-CD2 3.96Å; Y261-H265 AromaticContact CD2-CD2 3.46Å; Y261-H265 VanDerWaalsContact CD2-CD2 3.46Å; Y261-H265 WeakPolarHBondContact CD2-CD2 3.3Å; Y261-H265 AromaticContact CD2-NE2 3.94Å; Y261-H265 HydrophobicContact CE1-CB 4.05Å; Y261-H265 AromaticContact CE1-CD2 3.87Å; Y261-H265 AromaticContact CE2-CD2 3.36Å; Y261-H265 WeakPolarHBondContact CE2-CD2 3.41Å; Y261-H265 AromaticContact CE2-NE2 3.74Å; Y261-H265 AromaticContact CG-CD2 3.76Å; Y261-H265 AromaticContact CZ-CD2 3.56Å; Y261-H265 AromaticContact CZ-CG 3.99Å; Y261-H265 WeakPolarHBondContact O-CB 3.3Å; Y261-H265 PolarHBondContact O-CD2 3.5Å; Y261-H265 VanDerWaalsContact O-CD2 3.31Å; Y261-H265 PolarHBondContact O-N 2.82Å; Y261-P269 HydrophobicContact CD1-CB 3.61Å; Y261-P269 HydrophobicContact CD1-CG 4Å; Y261-P269 HydrophobicContact CE1-CB 3.84Å; Y261-P269 HydrophobicContact CG-CB 4.06Å; Y261-P269 HydrophobicContact CG-CG 4.41Å; Y261-D334 WeakPolarHBondContact CE2-O 3.36Å; Y261-D334 PolarHBondContact OH-O 3.49Å; Y261-A337 HydrophobicContact CD2-CB 4.07Å; Y261-A337 HydrophobicContact CG-CB 3.93Å; Y261-D341 WeakPolarHBondContact CB-O 3.47Å; Y261-D341 HydrophobicContact CD2-CB 4.49Å; Y261-D341 PolarHBondContact N-O 2.79Å
262	E	93.3	Very high	91.5	Very high	42 Å²	42	59.1 Å²	59.1	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-38.5	-177.7	-178.7	168.4	177.9	0	0	112.1	V258 S259 F260 G266	V258-E262 HydrophobicContact CB-CB 4.37Å; V258-E262 HydrophobicContact CB-CG 4.48Å; V258-E262 WeakPolarHBondContact CB-OE2 3.2Å; V258-E262 HydrophobicContact CG2-CB 4.12Å; V258-E262 HydrophobicContact CG2-CG 4.16Å; S259-E262 WeakPolarHBondContact O-CB 3.2Å; S259-E262 PolarHBondContact O-N 2.71Å; S259-E262 WeakPolarHBondContact OG-CB 3.43Å; S259-E262 PolarHBondContact OG-N 2.9Å; F260-E262 VanDerWaalsContact C-N 3.32Å; F260-E262 PolarHBondContact O-N 3.44Å; E262-G266 WeakPolarHBondContact O-CA 3.48Å; E262-G266 PolarHBondContact O-N 2.99Å
263	W	92.6	Very high	91.1	Very high	46 Å²	46	62.6 Å²	62.6	17%	0.174	35%	0.353	C	S	.	.	H	α-helix	trans	-64.2	-41.4	173	172.7	79.2	0	0	0	112.9	M248 F251 S259 F260 Y261 L345 L354	M248-W263 HydrophobicContact CE-CD2 3.87Å; M248-W263 HydrophobicContact CE-CG 4.24Å; M248-W263 HydrophobicContact CE-CH2 4.29Å; M248-W263 HydrophobicContact CE-CZ2 3.56Å; F251-W263 HydrophobicContact CD1-CB 4.42Å; F251-W263 AromaticContact CD1-CD1 3.6Å; F251-W263 HydrophobicContact CD1-CG 4.4Å; F251-W263 AromaticContact CD2-CD1 3.65Å; F251-W263 HydrophobicContact CE1-CB 3.85Å; F251-W263 AromaticContact CE1-CD1 3.8Å; F251-W263 HydrophobicContact CE1-CG 4.26Å; F251-W263 AromaticContact CE2-CD1 3.85Å; F251-W263 AromaticContact CG-CD1 3.52Å; F251-W263 HydrophobicContact CZ-CB 3.9Å; F251-W263 AromaticContact CZ-CD1 3.93Å; F251-W263 HydrophobicContact CZ-CG 4.35Å; S259-W263 PolarHBondContact O-N 3.42Å; F260-W263 AromaticContact CD2-CE3 3.92Å; F260-W263 HydrophobicContact CD2-CE3 3.92Å; F260-W263 HydrophobicContact CD2-CZ3 4.32Å; F260-W263 HydrophobicContact CE1-CE3 4.49Å; F260-W263 HydrophobicContact CE1-CZ3 4.44Å; F260-W263 AromaticContact CE2-CE3 3.48Å; F260-W263 HydrophobicContact CE2-CE3 3.48Å; F260-W263 VanDerWaalsContact CE2-CE3 3.48Å; F260-W263 HydrophobicContact CE2-CH2 4.47Å; F260-W263 AromaticContact CE2-CZ3 3.43Å; F260-W263 HydrophobicContact CE2-CZ3 3.43Å; F260-W263 VanDerWaalsContact CE2-CZ3 3.43Å; F260-W263 AromaticContact CZ-CE3 3.82Å; F260-W263 HydrophobicContact CZ-CE3 3.82Å; F260-W263 AromaticContact CZ-CZ3 3.51Å; F260-W263 HydrophobicContact CZ-CZ3 3.51Å; F260-W263 PolarHBondContact O-N 2.96Å; Y261-W263 VanDerWaalsContact C-N 3.34Å; Y261-W263 PolarHBondContact O-N 3.09Å; W263-L345 HydrophobicContact CB-CD1 4.44Å; W263-L345 HydrophobicContact CB-CD2 3.6Å; W263-L345 HydrophobicContact CD2-CD2 4.4Å; W263-L345 HydrophobicContact CG-CD2 3.89Å; W263-L354 HydrophobicContact CH2-CD1 3.49Å; W263-L354 VanDerWaalsContact CH2-CD1 3.49Å; W263-L354 HydrophobicContact CZ2-CD1 3.6Å
264	K	90.6	Very high	90.5	Very high	110 Å²	110	65 Å²	65	48%	0.478	37%	0.369	S	S	.	.	H	α-helix	trans	-71.3	-37.4	-178.5	-178.2	178.6	171	-171.7	0	112.7	F260 Y261 D341	F260-K264 HydrophobicContact CE1-CD 4.23Å; F260-K264 WeakPolarHBondContact O-CB 3.18Å; F260-K264 PolarHBondContact O-N 3.31Å; Y261-K264 PolarHBondContact O-N 3.09Å; K264-D341 IonicContact NZ-OD1 2.71Å; K264-D341 IonicContact NZ-OD2 3.43Å; K264-D341 PolarHBondContact NZ-OD2 3.31Å
265	H	89.5	Confident	89.8	Confident	97 Å²	97	61.9 Å²	61.9	45%	0.449	36%	0.355	S	S	.	.	H	α-helix	trans	-106.6	-10.7	-173.3	-65.2	-68.3	0	0	0	114.5	Y261 K267	Y261-H265 HydrophobicContact CD1-CB 4.44Å; Y261-H265 AromaticContact CD1-CD2 3.96Å; Y261-H265 AromaticContact CD2-CD2 3.46Å; Y261-H265 VanDerWaalsContact CD2-CD2 3.46Å; Y261-H265 WeakPolarHBondContact CD2-CD2 3.3Å; Y261-H265 AromaticContact CD2-NE2 3.94Å; Y261-H265 HydrophobicContact CE1-CB 4.05Å; Y261-H265 AromaticContact CE1-CD2 3.87Å; Y261-H265 AromaticContact CE2-CD2 3.36Å; Y261-H265 WeakPolarHBondContact CE2-CD2 3.41Å; Y261-H265 AromaticContact CE2-NE2 3.74Å; Y261-H265 AromaticContact CG-CD2 3.76Å; Y261-H265 AromaticContact CZ-CD2 3.56Å; Y261-H265 AromaticContact CZ-CG 3.99Å; Y261-H265 WeakPolarHBondContact O-CB 3.3Å; Y261-H265 PolarHBondContact O-CD2 3.5Å; Y261-H265 VanDerWaalsContact O-CD2 3.31Å; Y261-H265 PolarHBondContact O-N 2.82Å; H265-K267 PolarHBondContact O-N 3.34Å
266	G	87.6	Confident	88.9	Confident	60 Å²	60	57.4 Å²	57.4	62%	0.619	34%	0.335	S	S	*	.	S	Bend	trans	71	8.8	-179.5	0	0	0	0	0	114.9	E262	E262-G266 WeakPolarHBondContact O-CA 3.48Å; E262-G266 PolarHBondContact O-N 2.99Å
267	K	89.5	Confident	87.5	Confident	155 Å²	155	58.6 Å²	58.6	67%	0.674	34%	0.34	S	S	*	.	S	Bend	trans	-142.3	145.3	178	-65.5	-175.9	-177.9	179.5	0	109.9	H265	H265-K267 PolarHBondContact O-N 3.34Å
268	P	88.4	Confident	85.9	Confident	88 Å²	88	59.1 Å²	59.1	57%	0.571	34%	0.343	S	S	*	.			trans	-64	146.2	177.8	26.4	-34.7	0	0	0	111.3
269	P	89.4	Confident	84	Confident	24 Å²	24	62.8 Å²	62.8	16%	0.156	37%	0.365	C	S	.	.			trans	-69.4	152.9	174.9	29	-32.7	0	0	0	111.5	Y261 A271 V272 T335 A337	Y261-P269 HydrophobicContact CD1-CB 3.61Å; Y261-P269 HydrophobicContact CD1-CG 4Å; Y261-P269 HydrophobicContact CE1-CB 3.84Å; Y261-P269 HydrophobicContact CG-CB 4.06Å; Y261-P269 HydrophobicContact CG-CG 4.41Å; P269-A271 VanDerWaalsContact C-N 3.34Å; P269-V272 HydrophobicContact CB-CG2 4.49Å; P269-V272 HydrophobicContact CG-CG2 3.6Å; P269-T335 CarbonylContact C-O 3.57Å; P269-T335 WeakPolarHBondContact CA-O 3.39Å; P269-A337 HydrophobicContact CB-CB 3.83Å; P269-A337 HydrophobicContact CG-CB 3.91Å
270	T	88.9	Confident	82.1	Confident	115 Å²	115	68.1 Å²	68.1	71%	0.706	39%	0.392	S	S	*	.	S	Bend	trans	-71.1	-31.5	173.8	-51.4	0	0	0	0	112	T335	T270-T335 PolarHBondContact N-O 2.92Å; T270-T335 VanDerWaalsContact OG1-CB 3.25Å; T270-T335 WeakPolarHBondContact OG1-CB 3.34Å; T270-T335 PolarHBondContact OG1-OG1 3.4Å; T270-T335 VanDerWaalsContact OG1-OG1 3.13Å
271	A	87.3	Confident	80.3	Confident	46 Å²	46	68.4 Å²	68.4	38%	0.38	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.6	174.4	0	0	0	0	0	110	P269 V336 A337	P269-A271 VanDerWaalsContact C-N 3.34Å; A271-V336 HydrophobicContact CB-CG1 4.17Å; A271-V336 HydrophobicContact CB-CG2 4.32Å; A271-V336 CarbonylContact O-C 3.19Å; A271-V336 WeakPolarHBondContact O-CA 3.17Å; A271-A337 PolarHBondContact O-N 3.41Å
272	V	86.9	Confident	78.2	Confident	77 Å²	77	75.8 Å²	75.8	47%	0.467	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.7	175.7	-177.9	0	0	0	0	107.6	P269 A337 A342	P269-V272 HydrophobicContact CB-CG2 4.49Å; P269-V272 HydrophobicContact CG-CG2 3.6Å; V272-A337 HydrophobicContact CG2-CB 4.37Å; V272-A342 HydrophobicContact CG1-CB 3.76Å
273	V	86.5	Confident	76.1	Confident	73 Å²	73	76.4 Å²	76.4	44%	0.442	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	104.3	173.3	-177.3	0	0	0	0	107.3	V336 A337 R338 A342	V273-V336 HydrophobicContact CG2-CG1 3.83Å; V273-A337 PolarHBondContact N-O 3.12Å; V273-R338 HydrophobicContact CB-CG 4.25Å; V273-R338 HydrophobicContact CG2-CG 4.46Å; V273-A342 WeakPolarHBondContact O-CB 3.39Å
274	P	81.3	Confident	73.7	Confident	76 Å²	76	78.4 Å²	78.4	49%	0.494	46%	0.46	S	S	.	.			trans	-63.6	149.2	-178.4	27.8	-34.3	0	0	0	110.8	V276	P274-V276 PolarHBondContact O-N 2.94Å
275	P	77.6	Confident	71.3	Confident	50 Å²	50	82 Å²	82	33%	0.325	48%	0.479	S	S	.	.	S	Bend	trans	-60.7	-34.8	177.3	-21.1	32.5	0	0	0	112.8	G339 L343	P275-G339 WeakPolarHBondContact CG-O 3.41Å; P275-L343 HydrophobicContact CG-CD2 3.83Å; P275-L343 HydrophobicContact CG-CG 4.06Å
276	V	74.4	Confident	69	Low	12 Å²	12	82.6 Å²	82.6	7%	0.073	49%	0.485	C	S	.	.	S	Bend	trans	-131.8	130.5	179.7	-174.3	0	0	0	0	108.2	P274 L281 S427 S428	P274-V276 PolarHBondContact O-N 2.94Å; V276-L281 HydrophobicContact CG1-CD1 3.95Å; V276-L281 HydrophobicContact CG1-CD2 4.2Å; V276-L281 HydrophobicContact CG1-CG 4.21Å; V276-S427 VanDerWaalsContact CG2-C 3.46Å; V276-S428 VanDerWaalsContact CG2-N 3.3Å
277	S	65.6	Low	66.7	Low	46 Å²	46	86.7 Å²	86.7	32%	0.322	49%	0.493	S	S	.	.			trans	-87.3	113.1	168.8	179	0	0	0	0	108.4	T279 D280	S277-T279 PolarHBondContact O-N 2.83Å; S277-D280 WeakPolarHBondContact CB-OD2 3.37Å; S277-D280 PolarHBondContact O-N 3.41Å; S277-D280 PolarHBondContact OG-OD2 3.29Å
278	I	59.6	Low	64.5	Low	40 Å²	40	82.4 Å²	82.4	21%	0.205	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-57.3	-31.7	177.9	-69.7	170.5	0	0	0	111.2	L198 A201 D280 L281	L198-I278 HydrophobicContact CB-CG2 4.31Å; L198-I278 HydrophobicContact CD2-CG2 3.68Å; L198-I278 HydrophobicContact CG-CG2 4.36Å; A201-I278 HydrophobicContact CB-CD1 4.36Å; I278-D280 VanDerWaalsContact C-N 3.29Å; I278-D280 PolarHBondContact O-N 3.5Å; I278-L281 PolarHBondContact O-N 2.81Å
279	T	54.7	Low	62.1	Low	107 Å²	107	83.5 Å²	83.5	66%	0.656	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-66.7	-28.5	178.6	-46.9	0	0	0	0	113.2	S277 L281	S277-T279 PolarHBondContact O-N 2.83Å; T279-L281 VanDerWaalsContact C-N 3.3Å; T279-L281 PolarHBondContact O-N 3.38Å
280	D	53.7	Low	59.9	Low	131 Å²	131	87.7 Å²	87.7	70%	0.701	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-83.8	-6.5	-177.6	-61.8	-26.2	0	0	0	112.6	S277 I278 Q282	S277-D280 WeakPolarHBondContact CB-OD2 3.37Å; S277-D280 PolarHBondContact O-N 3.41Å; S277-D280 PolarHBondContact OG-OD2 3.29Å; I278-D280 VanDerWaalsContact C-N 3.29Å; I278-D280 PolarHBondContact O-N 3.5Å; D280-Q282 PolarHBondContact O-N 2.81Å; D280-Q282 VanDerWaalsContact O-N 3.11Å
281	L	54.5	Low	57.8	Low	20 Å²	20	87.6 Å²	87.6	11%	0.105	50%	0.503	C	S	.	.			trans	-82.4	30.1	-179.7	-63.5	174.7	0	0	0	113.4	L198 V276 I278 T279 L283 S428 L431	L198-L281 HydrophobicContact CD2-CB 4.49Å; L198-L281 HydrophobicContact CD2-CD1 3.88Å; V276-L281 HydrophobicContact CG1-CD1 3.95Å; V276-L281 HydrophobicContact CG1-CD2 4.2Å; V276-L281 HydrophobicContact CG1-CG 4.21Å; I278-L281 PolarHBondContact O-N 2.81Å; T279-L281 VanDerWaalsContact C-N 3.3Å; T279-L281 PolarHBondContact O-N 3.38Å; L281-L283 PolarHBondContact O-N 2.81Å; L281-S428 VanDerWaalsContact CD2-O 3.3Å; L281-S428 WeakPolarHBondContact CD2-O 3.31Å; L281-L431 HydrophobicContact CB-CD2 3.75Å; L281-L431 HydrophobicContact CD1-CB 4.29Å; L281-L431 HydrophobicContact CD1-CD2 4.04Å; L281-L431 HydrophobicContact CG-CD2 4.4Å
282	Q	49.1	Very low	55.7	Low	177 Å²	177	90.8 Å²	90.8	83%	0.827	52%	0.518	S	S	*	.			trans	-67.8	97.1	173	-74.4	178.4	-22.7	0	0	109.4	D280	D280-Q282 PolarHBondContact O-N 2.81Å; D280-Q282 VanDerWaalsContact O-N 3.11Å
283	L	50.7	Low	54.1	Low	55 Å²	55	89.9 Å²	89.9	29%	0.288	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-68.2	132.5	-178.8	-60.8	-178.2	0	0	0	111	P194 L281 L431 E432	P194-L283 HydrophobicContact CB-CD1 3.63Å; P194-L283 HydrophobicContact CB-CG 4.5Å; P194-L283 HydrophobicContact CG-CD1 3.53Å; L281-L283 PolarHBondContact O-N 2.81Å; L283-L431 HydrophobicContact CD1-CD2 4.21Å; L283-L431 HydrophobicContact CD1-CG 4.37Å; L283-L431 HydrophobicContact CG-CD2 4.31Å; L283-E432 HydrophobicContact CD2-CG 3.42Å; L283-E432 VanDerWaalsContact CD2-CG 3.42Å
284	A	41.7	Very low	52.2	Low	87 Å²	87	92.7 Å²	92.7	72%	0.719	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-61.2	137.2	160.8	0	0	0	0	0	108.8	N286	A284-N286 PolarHBondContact O-N 3.22Å; A284-N286 VanDerWaalsContact O-N 3.14Å
285	E	39.5	Very low	50.7	Low	187 Å²	187	92.4 Å²	92.4	87%	0.874	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-51.9	122.6	172.5	-67.8	179.3	168.7	0	0	108.3	D287	E285-D287 PolarHBondContact O-N 3.27Å
286	N	42.9	Very low	48.8	Very low	109 Å²	109	91.7 Å²	91.7	58%	0.583	52%	0.516	S	S	*	.			trans	-60	102.5	178.4	-76.9	-51.4	0	0	0	108.5	A284 A288	A284-N286 PolarHBondContact O-N 3.22Å; A284-N286 VanDerWaalsContact O-N 3.14Å; N286-A288 PolarHBondContact O-N 2.85Å
287	D	38.1	Very low	46.9	Very low	146 Å²	146	97.2 Å²	97.2	78%	0.781	55%	0.545	S	S	*	.			trans	-64.5	80.1	157.3	-89	-30.1	0	0	0	107.4	E285 N289	E285-D287 PolarHBondContact O-N 3.27Å; D287-N289 PolarHBondContact O-N 3.34Å
288	A	43.5	Very low	45.6	Very low	64 Å²	64	102.4 Å²	102.4	53%	0.529	57%	0.569	S	S	.	*			trans	-77.1	47.9	167.5	0	0	0	0	0	110.1	N286 D290	N286-A288 PolarHBondContact O-N 2.85Å; A288-D290 PolarHBondContact O-N 3.44Å
289	N	37.9	Very low	44.5	Very low	112 Å²	112	106.1 Å²	106.1	60%	0.599	59%	0.588	S	S	*	*			trans	-97.1	69.2	172.1	-71.4	-5.1	0	0	0	108.7	D287 D291	D287-N289 PolarHBondContact O-N 3.34Å; N289-D291 VanDerWaalsContact C-N 3.33Å
290	D	42.9	Very low	43.5	Very low	112 Å²	112	105.2 Å²	105.2	60%	0.599	58%	0.582	S	S	*	*			trans	-95.9	81.4	148.6	-174	14.3	0	0	0	105.8	A288 T292	A288-D290 PolarHBondContact O-N 3.44Å; D290-T292 PolarHBondContact O-N 2.93Å
291	D	44.4	Very low	42.3	Very low	113 Å²	113	107.5 Å²	107.5	60%	0.604	59%	0.594	S	S	*	*			trans	-72.2	12.4	-170.5	-72.1	-30.1	0	0	0	113.6	N289 I293	N289-D291 VanDerWaalsContact C-N 3.33Å; D291-I293 PolarHBondContact O-N 2.71Å; D291-I293 VanDerWaalsContact O-N 3.07Å
292	T	44.4	Very low	41.2	Very low	113 Å²	113	109.9 Å²	109.9	69%	0.693	62%	0.616	S	S	*	*			trans	-84.6	88.6	177.7	-44.1	0	0	0	0	109.2	D290 D294	D290-T292 PolarHBondContact O-N 2.93Å; T292-D294 VanDerWaalsContact C-N 3.26Å; T292-D294 PolarHBondContact O-N 3.05Å
293	I	52.1	Low	40.2	Very low	57 Å²	57	109.6 Å²	109.6	29%	0.292	62%	0.62	S	S	.	*			trans	-67.1	92.9	162.6	-54.6	174.7	0	0	0	106.8	D291 F295 Q450	D291-I293 PolarHBondContact O-N 2.71Å; D291-I293 VanDerWaalsContact O-N 3.07Å; I293-F295 HydrophobicContact CB-CD2 4.35Å; I293-F295 HydrophobicContact CB-CE2 3.7Å; I293-F295 HydrophobicContact CB-CZ 4.12Å; I293-F295 HydrophobicContact CG2-CD2 3.95Å; I293-F295 HydrophobicContact CG2-CE1 4.01Å; I293-F295 HydrophobicContact CG2-CE2 3.36Å; I293-F295 HydrophobicContact CG2-CG 4.48Å; I293-F295 HydrophobicContact CG2-CZ 3.36Å; I293-F295 WeakPolarHBondContact O-CD2 3.42Å; I293-F295 WeakPolarHBondContact O-CE2 3.3Å; I293-F295 PolarHBondContact O-N 2.98Å; I293-F295 VanDerWaalsContact O-N 3.08Å; I293-Q450 HydrophobicContact CD1-CB 3.89Å
294	D	48.2	Very low	39.2	Very low	132 Å²	132	112.2 Å²	112.2	71%	0.706	64%	0.644	S	S	*	*			trans	-66.4	104.2	171.3	179.1	13.6	0	0	0	108.7	T292 G296	T292-D294 VanDerWaalsContact C-N 3.26Å; T292-D294 PolarHBondContact O-N 3.05Å; D294-G296 PolarHBondContact O-N 3.41Å; D294-G296 WeakPolarHBondContact OD1-CA 3.46Å; D294-G296 PolarHBondContact OD1-N 3.28Å
295	F	49.6	Very low	38.7	Very low	71 Å²	71	112.9 Å²	112.9	31%	0.311	65%	0.649	S	S	.	*			trans	-76.1	0.7	176.9	-78.4	-82.3	0	0	0	113.2	I293 A454 L455	I293-F295 HydrophobicContact CB-CD2 4.35Å; I293-F295 HydrophobicContact CB-CE2 3.7Å; I293-F295 HydrophobicContact CB-CZ 4.12Å; I293-F295 HydrophobicContact CG2-CD2 3.95Å; I293-F295 HydrophobicContact CG2-CE1 4.01Å; I293-F295 HydrophobicContact CG2-CE2 3.36Å; I293-F295 HydrophobicContact CG2-CG 4.48Å; I293-F295 HydrophobicContact CG2-CZ 3.36Å; I293-F295 WeakPolarHBondContact O-CD2 3.42Å; I293-F295 WeakPolarHBondContact O-CE2 3.3Å; I293-F295 PolarHBondContact O-N 2.98Å; I293-F295 VanDerWaalsContact O-N 3.08Å; F295-A454 HydrophobicContact CE1-CB 4.11Å; F295-A454 HydrophobicContact CE2-CB 4.47Å; F295-A454 HydrophobicContact CZ-CB 3.46Å; F295-A454 VanDerWaalsContact CZ-CB 3.46Å; F295-L455 HydrophobicContact CE1-CD2 4.35Å; F295-L455 HydrophobicContact CE1-CG 4.47Å
296	G	38.1	Very low	38.3	Very low	35 Å²	35	111.1 Å²	111.1	36%	0.361	65%	0.646	S	S	.	*			trans	63.8	108.5	-162.6	0	0	0	0	0	108.1	D294 D298	D294-G296 PolarHBondContact O-N 3.41Å; D294-G296 WeakPolarHBondContact OD1-CA 3.46Å; D294-G296 PolarHBondContact OD1-N 3.28Å; G296-D298 PolarHBondContact O-N 3.01Å
297	D	33.7	Very low	37.8	Very low	128 Å²	128	112.5 Å²	112.5	68%	0.684	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-64.3	15.3	172.8	-159.4	21.1	0	0	0	113.4	L299 V300	D297-L299 PolarHBondContact O-N 3.4Å; D297-L299 VanDerWaalsContact O-N 3.09Å; D297-V300 PolarHBondContact O-N 2.96Å; D297-V300 VanDerWaalsContact O-N 3.09Å; D297-V300 WeakPolarHBondContact OD1-CB 3.29Å; D297-V300 WeakPolarHBondContact OD1-CG2 3.41Å
298	D	37.7	Very low	37.6	Very low	154 Å²	154	111 Å²	111	82%	0.824	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-73.9	3	179.8	-137	24.2	0	0	0	113.3	G296	G296-D298 PolarHBondContact O-N 3.01Å
299	L	37.5	Very low	37	Very low	118 Å²	118	114.6 Å²	114.6	62%	0.618	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-102.8	-3.6	169.9	-73.1	174.9	0	0	0	113.4	D297 L301	D297-L299 PolarHBondContact O-N 3.4Å; D297-L299 VanDerWaalsContact O-N 3.09Å; L299-L301 PolarHBondContact O-N 2.68Å
300	V	32.5	Very low	36.9	Very low	88 Å²	88	118.2 Å²	118.2	53%	0.533	68%	0.675	S	S	.	*	S	Bend	trans	-91.7	96.3	162.3	-174.6	0	0	0	0	106.3	D297 A302	D297-V300 PolarHBondContact O-N 2.96Å; D297-V300 VanDerWaalsContact O-N 3.09Å; D297-V300 WeakPolarHBondContact OD1-CB 3.29Å; D297-V300 WeakPolarHBondContact OD1-CG2 3.41Å; V300-A302 HydrophobicContact CG1-CB 4.04Å; V300-A302 PolarHBondContact O-N 3.02Å
301	L	29.6	Very low	36.3	Very low	179 Å²	179	115.3 Å²	115.3	94%	0.937	67%	0.671	S	S	*	*			trans	-60.3	80.7	163.9	-66.7	171.7	0	0	0	108.7	L299	L299-L301 PolarHBondContact O-N 2.68Å
302	A	31	Very low	35.6	Very low	70 Å²	70	117.9 Å²	117.9	58%	0.579	68%	0.683	S	S	*	*			trans	-122.9	107.5	165.8	0	0	0	0	0	106.5	V300 S304	V300-A302 HydrophobicContact CG1-CB 4.04Å; V300-A302 PolarHBondContact O-N 3.02Å; A302-S304 PolarHBondContact O-N 3.49Å
303	D	28.5	Very low	35	Very low	171 Å²	171	121.3 Å²	121.3	91%	0.914	69%	0.691	S	S	*	*			trans	-40	110.3	171.1	-86.9	-38.8	0	0	0	111.2
304	S	30.2	Very low	34.1	Very low	111 Å²	111	127.2 Å²	127.2	78%	0.776	72%	0.718	S	S	*	*			trans	-158.4	88	158.3	-69.6	0	0	0	0	107.7	A302 D306	A302-S304 PolarHBondContact O-N 3.49Å; S304-D306 PolarHBondContact O-N 3.47Å
305	A	30.4	Very low	33.2	Very low	100 Å²	100	128.3 Å²	128.3	83%	0.826	72%	0.722	S	S	*	*			trans	-59	104.8	159.5	0	0	0	0	0	107.9
306	D	32.3	Very low	32.2	Very low	151 Å²	151	130.2 Å²	130.2	81%	0.807	74%	0.744	S	S	*	*			trans	-145.5	136	154.5	-97	-32.6	0	0	0	111.5	S304 V308	S304-D306 PolarHBondContact O-N 3.47Å; D306-V308 PolarHBondContact O-N 2.94Å
307	T	30.5	Very low	31.8	Very low	137 Å²	137	133.4 Å²	133.4	84%	0.84	76%	0.761	S	S	*	*			trans	-90	105.5	-160.7	-42.9	0	0	0	0	107.6	N309	T307-N309 PolarHBondContact O-N 3.3Å
308	V	34	Very low	31.5	Very low	115 Å²	115	131 Å²	131	70%	0.697	77%	0.766	S	S	*	*			trans	-91.1	99.9	177.8	-172.2	0	0	0	0	109.8	D306 F310	D306-V308 PolarHBondContact O-N 2.94Å; V308-F310 HydrophobicContact CG1-CE2 4.22Å; V308-F310 HydrophobicContact CG1-CZ 4.28Å; V308-F310 PolarHBondContact O-N 3.42Å
309	N	31.8	Very low	30.9	Very low	140 Å²	140	131.8 Å²	131.8	75%	0.749	77%	0.765	S	S	*	*			trans	-71.6	109.9	172	176.2	20.1	0	0	0	110.2	T307 G311	T307-N309 PolarHBondContact O-N 3.3Å; N309-G311 PolarHBondContact O-N 3.34Å; N309-G311 PolarHBondContact OD1-N 3.14Å
310	F	35.3	Very low	30.4	Very low	188 Å²	188	134 Å²	134	83%	0.825	77%	0.772	S	S	*	*			trans	-82.2	73.8	167.4	-68.6	-85.1	0	0	0	109.6	V308	V308-F310 HydrophobicContact CG1-CE2 4.22Å; V308-F310 HydrophobicContact CG1-CZ 4.28Å; V308-F310 PolarHBondContact O-N 3.42Å
311	G	31.3	Very low	30.2	Very low	50 Å²	50	133.6 Å²	133.6	52%	0.515	79%	0.786	S	S	.	*			trans	-65.3	127.5	165.6	0	0	0	0	0	109.6	N309 E313	N309-G311 PolarHBondContact O-N 3.34Å; N309-G311 PolarHBondContact OD1-N 3.14Å; G311-E313 PolarHBondContact O-N 3.5Å; G311-E313 VanDerWaalsContact O-N 3.1Å
312	I	29.3	Very low	30	Very low	167 Å²	167	134 Å²	134	86%	0.856	78%	0.78	S	S	*	*			trans	-57.7	108.9	173	-67.3	160.9	0	0	0	108	E314	I312-E314 PolarHBondContact O-N 2.84Å; I312-E314 VanDerWaalsContact O-N 3.11Å
313	E	32.2	Very low	29.9	Very low	185 Å²	185	136.3 Å²	136.3	86%	0.864	79%	0.792	S	S	*	*			trans	-71.9	104	167.7	-77.1	-167.5	163.1	0	0	108.6	G311 I315	G311-E313 PolarHBondContact O-N 3.5Å; G311-E313 VanDerWaalsContact O-N 3.1Å; E313-I315 PolarHBondContact O-N 3.42Å
314	E	31.7	Very low	29.9	Very low	181 Å²	181	133 Å²	133	85%	0.846	78%	0.782	S	S	*	*			trans	-56.1	118.7	167.3	-155.9	173.7	-157.1	0	0	108.6	I312 S316	I312-E314 PolarHBondContact O-N 2.84Å; I312-E314 VanDerWaalsContact O-N 3.11Å; E314-S316 VanDerWaalsContact C-N 3.3Å; E314-S316 PolarHBondContact O-N 3.02Å
315	I	30.8	Very low	29.9	Very low	156 Å²	156	133.7 Å²	133.7	80%	0.8	78%	0.784	S	S	*	*			trans	-64	93.5	177.9	-58.4	163.8	0	0	0	107.3	E313 S317	E313-I315 PolarHBondContact O-N 3.42Å; I315-S317 PolarHBondContact O-N 3.37Å
316	S	28.9	Very low	30.1	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	78%	0.784	S	S	*	*			trans	-63.4	108.9	167.4	-166.9	0	0	0	0	107	E314 G318	E314-S316 VanDerWaalsContact C-N 3.3Å; E314-S316 PolarHBondContact O-N 3.02Å; S316-G318 VanDerWaalsContact C-N 3.29Å; S316-G318 PolarHBondContact O-N 3.47Å
317	S	29.1	Very low	30.1	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	79%	0.785	S	S	*	*			trans	-60.8	95.9	168.8	-64.7	0	0	0	0	107.5	I315 E319	I315-S317 PolarHBondContact O-N 3.37Å; S317-E319 VanDerWaalsContact C-N 3.31Å; S317-E319 PolarHBondContact O-N 2.73Å
318	G	27	Very low	30	Very low	76 Å²	76	137.8 Å²	137.8	78%	0.784	79%	0.789	S	S	*	*			trans	-65.5	90.4	175.2	0	0	0	0	0	110.2	S316	S316-G318 VanDerWaalsContact C-N 3.29Å; S316-G318 PolarHBondContact O-N 3.47Å
319	E	25.3	Very low	30	Very low	171 Å²	171	139.6 Å²	139.6	80%	0.799	79%	0.793	S	S	*	*			trans	-63.4	157.8	157.3	-67.4	-175.7	152.1	0	0	110.6	S317	S317-E319 VanDerWaalsContact C-N 3.31Å; S317-E319 PolarHBondContact O-N 2.73Å
320	Q	26.1	Very low	30.2	Very low	164 Å²	164	138.3 Å²	138.3	77%	0.766	79%	0.792	S	S	*	*			trans	95	58.9	163.1	-50	-166	-2.3	0	0	118.2	K322	Q320-K322 PolarHBondContact O-N 3.23Å
321	G	29	Very low	30.5	Very low	80 Å²	80	139 Å²	139	83%	0.825	80%	0.795	S	S	*	*			trans	-72.2	100.1	138.4	0	0	0	0	0	109.8	S323	G321-S323 PolarHBondContact O-N 3.03Å
322	K	26.2	Very low	31	Very low	188 Å²	188	145.2 Å²	145.2	82%	0.817	81%	0.81	S	S	*	*			trans	-54	102	177.3	-68.1	169.7	178.6	171.3	0	111.6	Q320 S324	Q320-K322 PolarHBondContact O-N 3.23Å; K322-S324 PolarHBondContact O-N 3.5Å
323	S	27	Very low	32.1	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	80%	0.802	S	S	*	*			trans	-74.5	105.4	158.6	45.3	0	0	0	0	108.5	G321	G321-S323 PolarHBondContact O-N 3.03Å
324	S	30	Very low	33.7	Very low	102 Å²	102	137.8 Å²	137.8	71%	0.713	78%	0.784	S	S	*	*			trans	-68	141.1	163	-66.2	0	0	0	0	108.7	K322 A326	K322-S324 PolarHBondContact O-N 3.5Å; S324-A326 PolarHBondContact O-N 3.38Å; S324-A326 VanDerWaalsContact O-N 3.08Å
325	P	29.7	Very low	36.2	Very low	125 Å²	125	132 Å²	132	81%	0.812	76%	0.761	S	S	*	*			trans	-74.1	106.9	-168.2	28.6	-32.1	0	0	0	110.1	Q327	P325-Q327 PolarHBondContact O-N 3.43Å
326	A	35	Very low	38.9	Very low	101 Å²	101	126 Å²	126	84%	0.835	73%	0.732	S	S	*	*			trans	-67.1	112.3	165.7	0	0	0	0	0	108	S324 E328	S324-A326 PolarHBondContact O-N 3.38Å; S324-A326 VanDerWaalsContact O-N 3.08Å; A326-E328 PolarHBondContact O-N 2.97Å
327	Q	31	Very low	41.7	Very low	175 Å²	175	120.8 Å²	120.8	82%	0.818	70%	0.696	S	S	*	*			trans	-48.4	132	173.7	-75.5	170.5	-42.8	0	0	111.1	P325 I329	P325-Q327 PolarHBondContact O-N 3.43Å; Q327-I329 PolarHBondContact O-N 3.27Å
328	E	28.8	Very low	44.5	Very low	198 Å²	198	122.5 Å²	122.5	93%	0.925	69%	0.686	S	S	*	*			trans	-60	98.4	169.9	-69.5	179.9	151	0	0	110.1	A326	A326-E328 PolarHBondContact O-N 2.97Å
329	I	35.7	Very low	47.3	Very low	153 Å²	153	120.6 Å²	120.6	79%	0.785	67%	0.666	S	S	*	*			trans	-93.9	125.8	163	-57.8	177.4	0	0	0	107.5	Q327 K331	Q327-I329 PolarHBondContact O-N 3.27Å; I329-K331 PolarHBondContact O-N 3.35Å
330	P	35.3	Very low	50.2	Low	113 Å²	113	115.8 Å²	115.8	73%	0.734	65%	0.652	S	S	*	*			trans	-75.2	126.8	-169.5	-12.5	27.8	0	0	0	114.3
331	K	40.8	Very low	53.3	Low	202 Å²	202	109.3 Å²	109.3	88%	0.878	62%	0.623	S	S	*	*			trans	45.4	78.8	140.5	-59.8	-178	-178.3	177.8	0	117.9	I329	I329-K331 PolarHBondContact O-N 3.35Å
332	Q	41.6	Very low	56.2	Low	181 Å²	181	106.1 Å²	106.1	85%	0.846	59%	0.588	S	S	*	*				-98.7	137.6	124.3	-82.2	-177.1	-29	0	0	107	D334	Q332-D334 PolarHBondContact O-N 3.27Å
333	P	53.2	Low	59.3	Low	105 Å²	105	98 Å²	98	68%	0.682	55%	0.554	S	S	*	*			trans	-61.9	112.5	173.3	26.1	-29.4	0	0	0	106.3	T335	P333-T335 VanDerWaalsContact C-N 3.33Å; P333-T335 WeakPolarHBondContact O-CG2 3.43Å; P333-T335 PolarHBondContact O-N 2.95Å
334	D	64.8	Low	62.5	Low	91 Å²	91	93.2 Å²	93.2	49%	0.487	52%	0.52	S	S	.	.			trans	-61	101.6	174.8	-159	1.9	0	0	0	105.8	Y261 Q332 V336 R338	Y261-D334 WeakPolarHBondContact CE2-O 3.36Å; Y261-D334 PolarHBondContact OH-O 3.49Å; Q332-D334 PolarHBondContact O-N 3.27Å; D334-V336 PolarHBondContact O-N 2.99Å; D334-R338 IonicContact OD1-NH1 3.62Å; D334-R338 IonicContact OD2-NH1 3.64Å; D334-R338 PolarHBondContact OD2-NH1 2.84Å
335	T	84.2	Confident	65.5	Low	60 Å²	60	88.4 Å²	88.4	37%	0.368	49%	0.487	S	S	.	.			trans	-78	6.5	-175.7	60.6	0	0	0	0	112	P269 T270 P333	P269-T335 CarbonylContact C-O 3.57Å; P269-T335 WeakPolarHBondContact CA-O 3.39Å; T270-T335 PolarHBondContact N-O 2.92Å; T270-T335 VanDerWaalsContact OG1-CB 3.25Å; T270-T335 WeakPolarHBondContact OG1-CB 3.34Å; T270-T335 PolarHBondContact OG1-OG1 3.4Å; T270-T335 VanDerWaalsContact OG1-OG1 3.13Å; P333-T335 VanDerWaalsContact C-N 3.33Å; P333-T335 WeakPolarHBondContact O-CG2 3.43Å; P333-T335 PolarHBondContact O-N 2.95Å
336	V	87.6	Confident	68.6	Low	31 Å²	31	82.7 Å²	82.7	19%	0.188	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.6	-176.9	-176.1	0	0	0	0	109.1	A271 V273 D334 R338	A271-V336 HydrophobicContact CB-CG1 4.17Å; A271-V336 HydrophobicContact CB-CG2 4.32Å; A271-V336 CarbonylContact O-C 3.19Å; A271-V336 WeakPolarHBondContact O-CA 3.17Å; V273-V336 HydrophobicContact CG2-CG1 3.83Å; D334-V336 PolarHBondContact O-N 2.99Å; V336-R338 HydrophobicContact CG1-CG 3.94Å; V336-R338 PolarHBondContact O-N 3.26Å
337	A	87.5	Confident	71.3	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	122	172.5	0	0	0	0	0	109.4	Y261 P269 A271 V272 V273 A342	Y261-A337 HydrophobicContact CD2-CB 4.07Å; Y261-A337 HydrophobicContact CG-CB 3.93Å; P269-A337 HydrophobicContact CB-CB 3.83Å; P269-A337 HydrophobicContact CG-CB 3.91Å; A271-A337 PolarHBondContact O-N 3.41Å; V272-A337 HydrophobicContact CG2-CB 4.37Å; V273-A337 PolarHBondContact N-O 3.12Å; A337-A342 HydrophobicContact CB-CB 4.31Å
338	R	88.4	Confident	74.2	Confident	138 Å²	138	70.4 Å²	70.4	52%	0.521	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.4	179.6	-61.9	-173.8	174.2	125	-4	110.9	V273 D334 V336 S340 D341	V273-R338 HydrophobicContact CB-CG 4.25Å; V273-R338 HydrophobicContact CG2-CG 4.46Å; D334-R338 IonicContact OD1-NH1 3.62Å; D334-R338 IonicContact OD2-NH1 3.64Å; D334-R338 PolarHBondContact OD2-NH1 2.84Å; V336-R338 HydrophobicContact CG1-CG 3.94Å; V336-R338 PolarHBondContact O-N 3.26Å; R338-S340 PolarHBondContact O-N 3.22Å; R338-D341 PolarHBondContact O-N 3.02Å
339	G	86.6	Confident	77.2	Confident	36 Å²	36	69.6 Å²	69.6	37%	0.371	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	58	-130.7	176.2	0	0	0	0	0	111.6	P275 D341 A342	P275-G339 WeakPolarHBondContact CG-O 3.41Å; G339-D341 PolarHBondContact O-N 3.25Å; G339-A342 WeakPolarHBondContact O-CB 3.42Å; G339-A342 PolarHBondContact O-N 2.91Å
340	S	86.4	Confident	79.9	Confident	71 Å²	71	65.5 Å²	65.5	50%	0.497	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-59.5	-29.3	179.6	59.7	0	0	0	0	114.1	R338 A342 L343 N348	R338-S340 PolarHBondContact O-N 3.22Å; S340-A342 VanDerWaalsContact C-N 3.26Å; S340-A342 PolarHBondContact O-N 3.08Å; S340-L343 PolarHBondContact O-N 2.8Å; S340-N348 PolarHBondContact O-ND2 3.06Å
341	D	89.6	Confident	82.7	Confident	28 Å²	28	60.1 Å²	60.1	15%	0.15	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-75.3	-19.8	-178.8	-72.7	9	0	0	0	111.4	F260 Y261 K264 R338 G339	F260-D341 WeakPolarHBondContact CD1-OD1 3.44Å; Y261-D341 WeakPolarHBondContact CB-O 3.47Å; Y261-D341 HydrophobicContact CD2-CB 4.49Å; Y261-D341 PolarHBondContact N-O 2.79Å; K264-D341 IonicContact NZ-OD1 2.71Å; K264-D341 IonicContact NZ-OD2 3.43Å; K264-D341 PolarHBondContact NZ-OD2 3.31Å; R338-D341 PolarHBondContact O-N 3.02Å; G339-D341 PolarHBondContact O-N 3.25Å
342	A	90.4	Very high	85.2	Confident	13 Å²	13	53.1 Å²	53.1	11%	0.107	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-80.4	-19.1	175.6	0	0	0	0	0	114.1	V272 V273 A337 G339 S340	V272-A342 HydrophobicContact CG1-CB 3.76Å; V273-A342 WeakPolarHBondContact O-CB 3.39Å; A337-A342 HydrophobicContact CB-CB 4.31Å; G339-A342 WeakPolarHBondContact O-CB 3.42Å; G339-A342 PolarHBondContact O-N 2.91Å; S340-A342 VanDerWaalsContact C-N 3.26Å; S340-A342 PolarHBondContact O-N 3.08Å
343	L	92.3	Very high	87.7	Confident	17 Å²	17	53 Å²	53	9%	0.089	27%	0.272	C	S	.	.	S	Bend	trans	-70.6	152.5	178.9	-65.4	176	0	0	0	111.2	S259 F260 P275 S340 D347 N348 K425	S259-L343 WeakPolarHBondContact CA-O 3.45Å; F260-L343 PolarHBondContact N-O 3.44Å; P275-L343 HydrophobicContact CG-CD2 3.83Å; P275-L343 HydrophobicContact CG-CG 4.06Å; S340-L343 PolarHBondContact O-N 2.8Å; L343-D347 HydrophobicContact CB-CB 4.08Å; L343-D347 HydrophobicContact CD2-CB 4.34Å; L343-N348 HydrophobicContact CB-CB 4.15Å; L343-K425 HydrophobicContact CD2-CB 4.21Å
344	S	93.2	Very high	89.7	Confident	18 Å²	18	50.9 Å²	50.9	13%	0.126	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-66.1	163.6	170.4	77.8	0	0	0	0	111	N257 V258 L346 D347 N348	N257-S344 WeakPolarHBondContact ND2-CB 3.48Å; N257-S344 PolarHBondContact ND2-OG 2.95Å; V258-S344 CarbonylContact O-C 3.53Å; V258-S344 WeakPolarHBondContact O-CA 3.19Å; S344-L346 VanDerWaalsContact C-N 3.26Å; S344-L346 PolarHBondContact O-N 2.78Å; S344-D347 PolarHBondContact O-N 2.93Å; S344-D347 VanDerWaalsContact O-N 3.15Å; S344-D347 WeakPolarHBondContact OG-CB 3.43Å; S344-D347 PolarHBondContact OG-N 2.99Å; S344-D347 PolarHBondContact OG-OD2 3.34Å; S344-N348 WeakPolarHBondContact O-CB 3.16Å; S344-N348 PolarHBondContact O-N 3.05Å
345	L	94.6	Very high	91.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-34.8	178.9	-72.4	171.3	0	0	0	113.4	M248 F251 L252 N257 V258 F260 W263 S351	M248-L345 HydrophobicContact CE-CD2 4.29Å; M248-L345 HydrophobicContact SD-CD1 4.29Å; M248-L345 HydrophobicContact SD-CD2 4.13Å; F251-L345 HydrophobicContact CD1-CD1 3.6Å; F251-L345 HydrophobicContact CE1-CD1 3.67Å; L252-L345 HydrophobicContact CD2-CB 3.89Å; L252-L345 HydrophobicContact CD2-CD1 3.72Å; L252-L345 HydrophobicContact CD2-CG 4.48Å; L252-L345 HydrophobicContact CG-CD1 4.28Å; N257-L345 PolarHBondContact OD1-N 3.47Å; N257-L345 VanDerWaalsContact OD1-N 3.11Å; V258-L345 HydrophobicContact CG2-CD1 3.92Å; V258-L345 WeakPolarHBondContact O-CG 3.31Å; V258-L345 PolarHBondContact O-N 3.42Å; F260-L345 HydrophobicContact CD2-CD2 4.09Å; W263-L345 HydrophobicContact CB-CD1 4.44Å; W263-L345 HydrophobicContact CB-CD2 3.6Å; W263-L345 HydrophobicContact CD2-CD2 4.4Å; W263-L345 HydrophobicContact CG-CD2 3.89Å; L345-S351 WeakPolarHBondContact CA-OG 3.39Å; L345-S351 VanDerWaalsContact O-CB 3.31Å; L345-S351 WeakPolarHBondContact O-CB 3.49Å; L345-S351 PolarHBondContact O-OG 2.96Å
346	L	93.7	Very high	91.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-22.4	176.7	-65.5	178	0	0	0	113	Q208 I211 V212 L252 N257 S344 L355	Q208-L346 HydrophobicContact CB-CD1 3.78Å; Q208-L346 HydrophobicContact CG-CB 4.17Å; Q208-L346 HydrophobicContact CG-CD1 3.89Å; I211-L346 HydrophobicContact CB-CD1 4.41Å; I211-L346 HydrophobicContact CG2-CD1 4.47Å; V212-L346 HydrophobicContact CG2-CD1 4.42Å; L252-L346 HydrophobicContact CD1-CD2 4.19Å; N257-L346 PolarHBondContact OD1-N 3.27Å; S344-L346 VanDerWaalsContact C-N 3.26Å; S344-L346 PolarHBondContact O-N 2.78Å; L346-L355 HydrophobicContact CD2-CD2 3.46Å; L346-L355 VanDerWaalsContact CD2-CD2 3.46Å
347	D	91.7	Very high	92.2	Very high	14 Å²	14	46.6 Å²	46.6	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-26.9	173.9	-63.2	-37.9	0	0	0	112.4	Q208 L343 S344 S422 K425	Q208-D347 PolarHBondContact NE2-OD1 3.44Å; L343-D347 HydrophobicContact CB-CB 4.08Å; L343-D347 HydrophobicContact CD2-CB 4.34Å; S344-D347 PolarHBondContact O-N 2.93Å; S344-D347 VanDerWaalsContact O-N 3.15Å; S344-D347 WeakPolarHBondContact OG-CB 3.43Å; S344-D347 PolarHBondContact OG-N 2.99Å; S344-D347 PolarHBondContact OG-OD2 3.34Å; D347-S422 PolarHBondContact OD1-OG 3.28Å; D347-S422 VanDerWaalsContact OD1-OG 3.1Å; D347-K425 IonicContact OD1-NZ 3.82Å; D347-K425 IonicContact OD2-NZ 2.77Å; D347-K425 PolarHBondContact OD2-NZ 3.01Å
348	N	92.5	Very high	92.7	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.027	24%	0.238	C	C	.	.	S	Bend	trans	-81.2	122.8	-178.7	178.9	-64.3	0	0	0	111.6	F260 S340 L343 S344 T350 S351 F352	F260-N348 HydrophobicContact CB-CB 4.06Å; F260-N348 HydrophobicContact CD2-CB 3.95Å; F260-N348 WeakPolarHBondContact CD2-OD1 2.98Å; F260-N348 WeakPolarHBondContact CE2-OD1 2.91Å; F260-N348 HydrophobicContact CG-CB 4.16Å; F260-N348 VanDerWaalsContact CG-ND2 3.32Å; F260-N348 WeakPolarHBondContact CG-ND2 3.13Å; S340-N348 PolarHBondContact O-ND2 3.06Å; L343-N348 HydrophobicContact CB-CB 4.15Å; S344-N348 WeakPolarHBondContact O-CB 3.16Å; S344-N348 PolarHBondContact O-N 3.05Å; N348-T350 PolarHBondContact O-N 3.14Å; N348-T350 VanDerWaalsContact O-N 3.14Å; N348-T350 WeakPolarHBondContact OD1-CA 3.49Å; N348-T350 VanDerWaalsContact OD1-CB 3.27Å; N348-T350 WeakPolarHBondContact OD1-CB 3.4Å; N348-T350 PolarHBondContact OD1-N 2.93Å; N348-S351 WeakPolarHBondContact CB-OG 3.41Å; N348-S351 PolarHBondContact O-N 3.46Å; N348-S351 PolarHBondContact O-OG 2.9Å; N348-S351 VanDerWaalsContact O-OG 3.09Å; N348-S351 PolarHBondContact OD1-N 3.14Å; N348-F352 VanDerWaalsContact O-CB 3.29Å; N348-F352 WeakPolarHBondContact O-CB 3.44Å; N348-F352 PolarHBondContact O-N 3.45Å
349	R	90.9	Very high	93.2	Very high	181 Å²	181	40.8 Å²	40.8	68%	0.683	21%	0.213	S	C	*	.	H	α-helix	trans	-55.9	-32.9	-177.6	-63.7	-175.5	180	-174	2	114.2	R353 E423	R349-R353 WeakPolarHBondContact O-CB 3.33Å; R349-R353 PolarHBondContact O-N 3.4Å; R349-R353 VanDerWaalsContact O-N 3.08Å; R349-E423 IonicContact CZ-OE2 2.65Å; R349-E423 IonicContact NE-OE2 2.91Å; R349-E423 IonicContact NH2-OE1 2.91Å; R349-E423 IonicContact NH2-OE2 3.34Å; R349-E423 PolarHBondContact NH2-OE2 2.97Å
350	T	92.8	Very high	93.7	Very high	66 Å²	66	43.4 Å²	43.4	41%	0.405	22%	0.218	S	C	.	.	H	α-helix	trans	-73.4	-49.9	-178.3	-57.1	0	0	0	0	111.1	F260 N348 R353 L354	F260-T350 HydrophobicContact CE2-CG2 4.24Å; F260-T350 HydrophobicContact CZ-CG2 4.11Å; N348-T350 PolarHBondContact O-N 3.14Å; N348-T350 VanDerWaalsContact O-N 3.14Å; N348-T350 WeakPolarHBondContact OD1-CA 3.49Å; N348-T350 VanDerWaalsContact OD1-CB 3.27Å; N348-T350 WeakPolarHBondContact OD1-CB 3.4Å; N348-T350 PolarHBondContact OD1-N 2.93Å; T350-R353 PolarHBondContact O-N 2.62Å; T350-L354 WeakPolarHBondContact O-CG 3.06Å; T350-L354 PolarHBondContact O-N 3.04Å; T350-L354 VanDerWaalsContact O-N 3.11Å
351	S	93.4	Very high	94.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-68.3	-37	177.5	40	0	0	0	0	112	M248 F260 L345 N348 R353 L354 L355	M248-S351 VanDerWaalsContact CE-CB 3.47Å; F260-S351 WeakPolarHBondContact CD2-OG 3.17Å; L345-S351 WeakPolarHBondContact CA-OG 3.39Å; L345-S351 VanDerWaalsContact O-CB 3.31Å; L345-S351 WeakPolarHBondContact O-CB 3.49Å; L345-S351 PolarHBondContact O-OG 2.96Å; N348-S351 WeakPolarHBondContact CB-OG 3.41Å; N348-S351 PolarHBondContact O-N 3.46Å; N348-S351 PolarHBondContact O-OG 2.9Å; N348-S351 VanDerWaalsContact O-OG 3.09Å; N348-S351 PolarHBondContact OD1-N 3.14Å; S351-R353 VanDerWaalsContact C-N 3.34Å; S351-R353 PolarHBondContact O-N 3.21Å; S351-L354 PolarHBondContact O-N 2.88Å; S351-L355 PolarHBondContact O-N 3.39Å
352	F	93.2	Very high	94.6	Very high	55 Å²	55	42.1 Å²	42.1	24%	0.241	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-47.7	171.1	-175.8	-86	0	0	0	111.6	N348 L354 L355 M356 V413	N348-F352 VanDerWaalsContact O-CB 3.29Å; N348-F352 WeakPolarHBondContact O-CB 3.44Å; N348-F352 PolarHBondContact O-N 3.45Å; F352-L354 VanDerWaalsContact C-N 3.32Å; F352-L354 PolarHBondContact O-N 2.91Å; F352-L355 PolarHBondContact O-N 3.45Å; F352-M356 HydrophobicContact CD1-CG 3.91Å; F352-M356 HydrophobicContact CE1-CG 3.53Å; F352-M356 HydrophobicContact CE1-SD 4.4Å; F352-M356 HydrophobicContact CZ-CG 4.03Å; F352-M356 HydrophobicContact CZ-SD 4.36Å; F352-M356 WeakPolarHBondContact O-CB 3.49Å; F352-M356 WeakPolarHBondContact O-CG 3.41Å; F352-M356 PolarHBondContact O-N 3.44Å; F352-V413 HydrophobicContact CD2-CG1 4.06Å; F352-V413 HydrophobicContact CE2-CG1 3.24Å; F352-V413 WeakPolarHBondContact CE2-O 3.43Å; F352-V413 HydrophobicContact CZ-CG1 3.54Å; F352-V413 WeakPolarHBondContact CZ-O 3.29Å
353	R	94.3	Very high	94.9	Very high	178 Å²	178	45.2 Å²	45.2	67%	0.672	21%	0.214	S	C	*	.	H	α-helix	trans	-61.3	-39.1	176.9	-173.5	-179.3	68.3	150.8	1.2	112.5	R349 T350 S351 M356 S357	R349-R353 WeakPolarHBondContact O-CB 3.33Å; R349-R353 PolarHBondContact O-N 3.4Å; R349-R353 VanDerWaalsContact O-N 3.08Å; T350-R353 PolarHBondContact O-N 2.62Å; S351-R353 VanDerWaalsContact C-N 3.34Å; S351-R353 PolarHBondContact O-N 3.21Å; R353-M356 PolarHBondContact O-N 3.42Å; R353-S357 PolarHBondContact O-N 3.27Å
354	L	96	Very high	95.1	Very high	61 Å²	61	47.2 Å²	47.2	32%	0.319	23%	0.233	S	C	.	.	H	α-helix	trans	-66.1	-44.6	176.5	-68.9	170.9	0	0	0	111.4	M248 W263 T350 S351 F352 M356 S357 D358	M248-L354 HydrophobicContact CB-CB 3.88Å; M248-L354 HydrophobicContact CE-CB 4.17Å; M248-L354 HydrophobicContact CE-CD1 3.9Å; M248-L354 HydrophobicContact CG-CB 4.25Å; W263-L354 HydrophobicContact CH2-CD1 3.49Å; W263-L354 VanDerWaalsContact CH2-CD1 3.49Å; W263-L354 HydrophobicContact CZ2-CD1 3.6Å; T350-L354 WeakPolarHBondContact O-CG 3.06Å; T350-L354 PolarHBondContact O-N 3.04Å; T350-L354 VanDerWaalsContact O-N 3.11Å; S351-L354 PolarHBondContact O-N 2.88Å; F352-L354 VanDerWaalsContact C-N 3.32Å; F352-L354 PolarHBondContact O-N 2.91Å; L354-M356 VanDerWaalsContact C-N 3.33Å; L354-M356 PolarHBondContact O-N 3.42Å; L354-S357 WeakPolarHBondContact O-CB 3.43Å; L354-S357 PolarHBondContact O-N 3.2Å; L354-D358 PolarHBondContact O-N 2.91Å
355	L	96.6	Very high	95.2	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-45.4	174.2	177.1	60.8	0	0	0	111.2	L215 M248 F249 L252 L346 S351 F352 S357 D358 L359 V413	L215-L355 HydrophobicContact CD1-CD1 4.23Å; L215-L355 HydrophobicContact CD2-CD1 4.31Å; M248-L355 HydrophobicContact CB-CB 4.41Å; M248-L355 HydrophobicContact CG-CB 3.74Å; F249-L355 HydrophobicContact CB-CD1 4.44Å; L252-L355 HydrophobicContact CD1-CB 4.47Å; L252-L355 HydrophobicContact CD1-CD1 3.88Å; L252-L355 HydrophobicContact CD1-CD2 3.67Å; L252-L355 HydrophobicContact CD1-CG 4.21Å; L346-L355 HydrophobicContact CD2-CD2 3.46Å; L346-L355 VanDerWaalsContact CD2-CD2 3.46Å; S351-L355 PolarHBondContact O-N 3.39Å; F352-L355 PolarHBondContact O-N 3.45Å; L355-S357 VanDerWaalsContact C-N 3.29Å; L355-S357 PolarHBondContact O-N 2.9Å; L355-D358 WeakPolarHBondContact O-CB 3.39Å; L355-D358 PolarHBondContact O-N 2.96Å; L355-L359 HydrophobicContact CD1-CD1 4.12Å; L355-L359 HydrophobicContact CD1-CG 4.07Å; L355-L359 HydrophobicContact CD2-CD1 4.45Å; L355-L359 HydrophobicContact CG-CD1 3.89Å; L355-L359 HydrophobicContact CG-CG 4.29Å; L355-L359 WeakPolarHBondContact O-CG 3.13Å; L355-L359 PolarHBondContact O-N 2.9Å; L355-V413 HydrophobicContact CD2-CG2 4.42Å
356	M	96.5	Very high	95.3	Very high	23 Å²	23	46.9 Å²	46.9	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-37.1	177.5	-76.1	-53.9	-52	0	0	112.3	F352 R353 L354 L359 L360 I410 V413 N414	F352-M356 HydrophobicContact CD1-CG 3.91Å; F352-M356 HydrophobicContact CE1-CG 3.53Å; F352-M356 HydrophobicContact CE1-SD 4.4Å; F352-M356 HydrophobicContact CZ-CG 4.03Å; F352-M356 HydrophobicContact CZ-SD 4.36Å; F352-M356 WeakPolarHBondContact O-CB 3.49Å; F352-M356 WeakPolarHBondContact O-CG 3.41Å; F352-M356 PolarHBondContact O-N 3.44Å; R353-M356 PolarHBondContact O-N 3.42Å; L354-M356 VanDerWaalsContact C-N 3.33Å; L354-M356 PolarHBondContact O-N 3.42Å; M356-L359 HydrophobicContact SD-CD1 4.26Å; M356-L360 HydrophobicContact CE-CD1 4.43Å; M356-L360 HydrophobicContact CE-CG 4.31Å; M356-L360 VanDerWaalsContact O-CB 3.31Å; M356-L360 WeakPolarHBondContact O-CB 3.49Å; M356-L360 WeakPolarHBondContact O-CG 3.4Å; M356-L360 PolarHBondContact O-N 3.31Å; M356-I410 HydrophobicContact CE-CG2 4.27Å; M356-V413 HydrophobicContact CG-CG1 4.46Å; M356-V413 HydrophobicContact SD-CB 4.36Å; M356-V413 HydrophobicContact SD-CG1 3.62Å; M356-N414 WeakPolarHBondContact CE-ND2 3.25Å
357	S	96.9	Very high	95.4	Very high	68 Å²	68	53.5 Å²	53.5	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-49.4	172.1	-167.9	0	0	0	0	111.2	R353 L354 L355 L359 L360 E361	R353-S357 PolarHBondContact O-N 3.27Å; L354-S357 WeakPolarHBondContact O-CB 3.43Å; L354-S357 PolarHBondContact O-N 3.2Å; L355-S357 VanDerWaalsContact C-N 3.29Å; L355-S357 PolarHBondContact O-N 2.9Å; S357-L359 VanDerWaalsContact C-N 3.34Å; S357-L359 PolarHBondContact O-N 3.13Å; S357-L360 PolarHBondContact O-N 2.73Å; S357-E361 WeakPolarHBondContact O-CB 3.27Å; S357-E361 PolarHBondContact O-N 3.1Å
358	D	97.2	Very high	95.4	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.08	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-43.5	179.1	-66.1	-10.9	0	0	0	111.5	L246 K247 M248 F249 L354 L355 L362	L246-D358 HydrophobicContact CB-CB 4.43Å; L246-D358 HydrophobicContact CD2-CB 3.8Å; L246-D358 WeakPolarHBondContact CD2-O 3.46Å; K247-D358 PolarHBondContact N-OD2 3.29Å; M248-D358 WeakPolarHBondContact CA-OD2 3.26Å; M248-D358 WeakPolarHBondContact CB-OD2 3.38Å; M248-D358 PolarHBondContact N-OD2 3.4Å; F249-D358 HydrophobicContact CB-CB 4.1Å; F249-D358 PolarHBondContact N-OD2 3.34Å; L354-D358 PolarHBondContact O-N 2.91Å; L355-D358 WeakPolarHBondContact O-CB 3.39Å; L355-D358 PolarHBondContact O-N 2.96Å; D358-L362 WeakPolarHBondContact O-CG 3.46Å; D358-L362 PolarHBondContact O-N 3.24Å
359	L	97.8	Very high	95.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-67.6	-41.7	179.1	-70.1	173.5	0	0	0	112.5	L215 F249 L355 M356 S357 L362 K363 I406 I409 I410 V413	L215-L359 HydrophobicContact CD2-CD2 3.94Å; F249-L359 HydrophobicContact CD2-CD2 3.85Å; F249-L359 HydrophobicContact CE2-CD2 3.75Å; L355-L359 HydrophobicContact CD1-CD1 4.12Å; L355-L359 HydrophobicContact CD1-CG 4.07Å; L355-L359 HydrophobicContact CD2-CD1 4.45Å; L355-L359 HydrophobicContact CG-CD1 3.89Å; L355-L359 HydrophobicContact CG-CG 4.29Å; L355-L359 WeakPolarHBondContact O-CG 3.13Å; L355-L359 PolarHBondContact O-N 2.9Å; M356-L359 HydrophobicContact SD-CD1 4.26Å; S357-L359 VanDerWaalsContact C-N 3.34Å; S357-L359 PolarHBondContact O-N 3.13Å; L359-L362 PolarHBondContact O-N 2.89Å; L359-K363 WeakPolarHBondContact O-CB 3.38Å; L359-K363 PolarHBondContact O-N 2.9Å; L359-I406 HydrophobicContact CD2-CD1 4.07Å; L359-I409 HydrophobicContact CD1-CG2 3.89Å; L359-I409 HydrophobicContact CD2-CG2 3.89Å; L359-I410 HydrophobicContact CB-CD1 4.15Å; L359-I410 HydrophobicContact CB-CG1 3.86Å; L359-I410 HydrophobicContact CD1-CG1 4.14Å; L359-V413 HydrophobicContact CD1-CG2 4.44Å
360	L	97.7	Very high	95.3	Very high	91 Å²	91	50.8 Å²	50.8	48%	0.476	25%	0.253	S	S	.	.	H	α-helix	trans	-69.6	-34.7	178	-71.3	172.8	0	0	0	111.9	M356 S357 K363 A364 I410	M356-L360 HydrophobicContact CE-CD1 4.43Å; M356-L360 HydrophobicContact CE-CG 4.31Å; M356-L360 VanDerWaalsContact O-CB 3.31Å; M356-L360 WeakPolarHBondContact O-CB 3.49Å; M356-L360 WeakPolarHBondContact O-CG 3.4Å; M356-L360 PolarHBondContact O-N 3.31Å; S357-L360 PolarHBondContact O-N 2.73Å; L360-K363 PolarHBondContact O-N 2.95Å; L360-A364 WeakPolarHBondContact O-CB 3.46Å; L360-A364 PolarHBondContact O-N 3.43Å; L360-I410 HydrophobicContact CD2-CD1 4.31Å
361	E	97	Very high	95.1	Very high	73 Å²	73	51.9 Å²	51.9	34%	0.341	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-50.8	171.4	-178	176.6	145.5	0	0	110.8	Y225 L246 S357 K363 A364 F365	Y225-E361 WeakPolarHBondContact CE1-OE1 3.41Å; Y225-E361 VanDerWaalsContact CZ-OE1 3.27Å; Y225-E361 PolarHBondContact OH-OE1 2.91Å; L246-E361 HydrophobicContact CD2-CB 4.42Å; L246-E361 HydrophobicContact CD2-CG 4.42Å; S357-E361 WeakPolarHBondContact O-CB 3.27Å; S357-E361 PolarHBondContact O-N 3.1Å; E361-K363 VanDerWaalsContact C-N 3.35Å; E361-K363 PolarHBondContact O-N 2.84Å; E361-A364 PolarHBondContact O-N 3.46Å; E361-F365 WeakPolarHBondContact O-CB 3.28Å; E361-F365 PolarHBondContact O-N 3.35Å
362	L	97.4	Very high	94.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-42.2	175.8	-76.3	175.8	0	0	0	112.5	L221 L222 Y225 L246 F249 D358 L359 F365 L366 I406	L221-L362 HydrophobicContact CD1-CD2 4.49Å; L221-L362 HydrophobicContact CD2-CD1 4.12Å; L221-L362 HydrophobicContact CD2-CD2 4.13Å; L221-L362 HydrophobicContact CG-CD2 4.08Å; L222-L362 HydrophobicContact CD1-CD1 4.07Å; Y225-L362 HydrophobicContact CD2-CD2 4.44Å; Y225-L362 HydrophobicContact CG-CD2 4.19Å; L246-L362 HydrophobicContact CD1-CD1 4.07Å; L246-L362 HydrophobicContact CD1-CD2 3.57Å; L246-L362 HydrophobicContact CD1-CG 3.87Å; L246-L362 HydrophobicContact CD2-CD1 4.41Å; L246-L362 HydrophobicContact CD2-CD2 4.4Å; L246-L362 HydrophobicContact CD2-CG 3.94Å; F249-L362 HydrophobicContact CD2-CD1 3.9Å; F249-L362 HydrophobicContact CE2-CD1 3.82Å; D358-L362 WeakPolarHBondContact O-CG 3.46Å; D358-L362 PolarHBondContact O-N 3.24Å; L359-L362 PolarHBondContact O-N 2.89Å; L362-F365 PolarHBondContact O-N 3.18Å; L362-L366 WeakPolarHBondContact O-CB 3.22Å; L362-L366 VanDerWaalsContact O-CG 3.27Å; L362-L366 WeakPolarHBondContact O-CG 3.17Å; L362-L366 PolarHBondContact O-N 2.99Å; L362-I406 HydrophobicContact CB-CD1 4.48Å; L362-I406 HydrophobicContact CD1-CD1 4.07Å
363	K	97.4	Very high	94.3	Very high	78 Å²	78	56.5 Å²	56.5	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-46.5	175.8	177	172.2	178.8	156.2	0	111.6	L359 L360 E361 K367 I406 D407 I410	L359-K363 WeakPolarHBondContact O-CB 3.38Å; L359-K363 PolarHBondContact O-N 2.9Å; L360-K363 PolarHBondContact O-N 2.95Å; E361-K363 VanDerWaalsContact C-N 3.35Å; E361-K363 PolarHBondContact O-N 2.84Å; K363-K367 VanDerWaalsContact O-CB 3.32Å; K363-K367 WeakPolarHBondContact O-CB 3.33Å; K363-K367 PolarHBondContact O-N 3.47Å; K363-I406 HydrophobicContact CB-CG2 4Å; K363-D407 VanDerWaalsContact CD-OD1 3.3Å; K363-D407 WeakPolarHBondContact CD-OD1 3.35Å; K363-D407 WeakPolarHBondContact CE-OD1 3.45Å; K363-D407 IonicContact NZ-OD1 3.01Å; K363-D407 PolarHBondContact NZ-OD1 2.74Å; K363-I410 HydrophobicContact CB-CD1 4.2Å; K363-I410 HydrophobicContact CD-CD1 3.74Å
364	A	97	Very high	93.8	Very high	59 Å²	59	52.6 Å²	52.6	49%	0.488	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-44.5	178.1	0	0	0	0	0	111.3	L360 E361 K367 M368	L360-A364 WeakPolarHBondContact O-CB 3.46Å; L360-A364 PolarHBondContact O-N 3.43Å; E361-A364 PolarHBondContact O-N 3.46Å; A364-K367 PolarHBondContact O-N 2.98Å; A364-M368 WeakPolarHBondContact O-CB 3.47Å; A364-M368 PolarHBondContact O-N 3.37Å
365	F	95.7	Very high	92.8	Very high	11 Å²	11	52.2 Å²	52.2	5%	0.048	28%	0.279	C	S	.	.	H	α-helix	trans	-57.2	-52.4	175.3	168.1	-109.9	0	0	0	111.9	L221 F224 Y225 F228 E361 L362 K367 M368 R369	L221-F365 HydrophobicContact CD1-CE1 4.49Å; F224-F365 AromaticContact CD1-CE1 3.78Å; F224-F365 HydrophobicContact CD1-CE1 3.78Å; F224-F365 HydrophobicContact CD1-CZ 4Å; F224-F365 AromaticContact CE1-CE1 3.66Å; F224-F365 HydrophobicContact CE1-CE1 3.66Å; F224-F365 AromaticContact CE1-CZ 3.59Å; F224-F365 HydrophobicContact CE1-CZ 3.59Å; F224-F365 HydrophobicContact CZ-CZ 4.27Å; Y225-F365 HydrophobicContact CD2-CB 4.28Å; Y225-F365 AromaticContact CD2-CD1 3.62Å; Y225-F365 HydrophobicContact CD2-CD1 3.62Å; Y225-F365 AromaticContact CD2-CD2 3.92Å; Y225-F365 HydrophobicContact CD2-CD2 3.92Å; Y225-F365 AromaticContact CD2-CE1 3.84Å; Y225-F365 HydrophobicContact CD2-CE1 3.84Å; Y225-F365 HydrophobicContact CD2-CE2 4.14Å; Y225-F365 AromaticContact CD2-CG 3.65Å; Y225-F365 HydrophobicContact CD2-CG 3.65Å; Y225-F365 HydrophobicContact CD2-CZ 4.09Å; Y225-F365 HydrophobicContact CE2-CB 4.1Å; Y225-F365 HydrophobicContact CE2-CD1 4.28Å; Y225-F365 AromaticContact CE2-CD2 3.98Å; Y225-F365 HydrophobicContact CE2-CD2 3.98Å; Y225-F365 AromaticContact CE2-CG 3.85Å; Y225-F365 HydrophobicContact CE2-CG 3.85Å; F228-F365 HydrophobicContact CB-CE2 4.23Å; F228-F365 HydrophobicContact CB-CZ 4.08Å; F228-F365 HydrophobicContact CD1-CD2 4.21Å; F228-F365 AromaticContact CD1-CE2 3.38Å; F228-F365 HydrophobicContact CD1-CE2 3.38Å; F228-F365 HydrophobicContact CD1-CZ 4.1Å; F228-F365 HydrophobicContact CD2-CE2 4.25Å; F228-F365 HydrophobicContact CE1-CD2 4.31Å; F228-F365 AromaticContact CE1-CE2 3.73Å; F228-F365 HydrophobicContact CE1-CE2 3.73Å; F228-F365 AromaticContact CG-CE2 3.66Å; F228-F365 HydrophobicContact CG-CE2 3.66Å; F228-F365 AromaticContact CG-CZ 3.98Å; F228-F365 HydrophobicContact CG-CZ 3.98Å; F228-F365 HydrophobicContact CZ-CE2 4.32Å; E361-F365 WeakPolarHBondContact O-CB 3.28Å; E361-F365 PolarHBondContact O-N 3.35Å; L362-F365 PolarHBondContact O-N 3.18Å; F365-K367 VanDerWaalsContact C-N 3.34Å; F365-K367 PolarHBondContact O-N 2.82Å; F365-M368 HydrophobicContact CD2-CE 4.21Å; F365-M368 WeakPolarHBondContact O-CB 3.36Å; F365-M368 PolarHBondContact O-N 3.37Å; F365-R369 HydrophobicContact CD2-CG 4.11Å; F365-R369 HydrophobicContact CE1-CG 4.18Å; F365-R369 HydrophobicContact CE2-CG 3.61Å; F365-R369 HydrophobicContact CZ-CG 3.67Å; F365-R369 WeakPolarHBondContact O-CG 3.49Å; F365-R369 PolarHBondContact O-N 3.46Å
366	L	95.9	Very high	91.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-41.4	180	-73.3	168.7	0	0	0	112.2	L221 L362 M368 R369 L370 I399 W402 A403 I406	L221-L366 HydrophobicContact CD1-CD1 4.16Å; L221-L366 HydrophobicContact CD1-CD2 3.68Å; L221-L366 HydrophobicContact CD1-CG 4.13Å; L221-L366 HydrophobicContact CD2-CD1 3.86Å; L362-L366 WeakPolarHBondContact O-CB 3.22Å; L362-L366 VanDerWaalsContact O-CG 3.27Å; L362-L366 WeakPolarHBondContact O-CG 3.17Å; L362-L366 PolarHBondContact O-N 2.99Å; L366-M368 VanDerWaalsContact C-N 3.34Å; L366-M368 PolarHBondContact O-N 3.15Å; L366-R369 PolarHBondContact O-N 3.02Å; L366-L370 WeakPolarHBondContact O-CG 3.19Å; L366-L370 PolarHBondContact O-N 3.12Å; L366-I399 HydrophobicContact CD2-CG2 3.69Å; L366-W402 HydrophobicContact CD1-CB 3.98Å; L366-W402 HydrophobicContact CD2-CB 4.05Å; L366-W402 HydrophobicContact CD2-CE3 4.33Å; L366-A403 HydrophobicContact CB-CB 4.2Å; L366-A403 HydrophobicContact CD1-CB 4.4Å; L366-I406 HydrophobicContact CD1-CB 4.49Å; L366-I406 HydrophobicContact CD1-CG1 3.96Å
367	K	94.9	Very high	89.4	Confident	144 Å²	144	63.6 Å²	63.6	63%	0.626	34%	0.341	S	S	*	.	H	α-helix	trans	-62.1	-41.4	175.9	-175.3	177.3	179	-179.2	0	112.1	K363 A364 F365 L370 T371	K363-K367 VanDerWaalsContact O-CB 3.32Å; K363-K367 WeakPolarHBondContact O-CB 3.33Å; K363-K367 PolarHBondContact O-N 3.47Å; A364-K367 PolarHBondContact O-N 2.98Å; F365-K367 VanDerWaalsContact C-N 3.34Å; F365-K367 PolarHBondContact O-N 2.82Å; K367-L370 PolarHBondContact O-N 3.45Å; K367-T371 PolarHBondContact O-N 2.88Å; K367-T371 PolarHBondContact O-OG1 3.13Å
368	M	91.9	Very high	87.3	Confident	83 Å²	83	65.3 Å²	65.3	41%	0.409	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-48	175	-179.4	178.4	64.6	0	0	110.8	A364 F365 L366 L370 T371 E372	A364-M368 WeakPolarHBondContact O-CB 3.47Å; A364-M368 PolarHBondContact O-N 3.37Å; F365-M368 HydrophobicContact CD2-CE 4.21Å; F365-M368 WeakPolarHBondContact O-CB 3.36Å; F365-M368 PolarHBondContact O-N 3.37Å; L366-M368 VanDerWaalsContact C-N 3.34Å; L366-M368 PolarHBondContact O-N 3.15Å; M368-L370 VanDerWaalsContact C-N 3.33Å; M368-L370 PolarHBondContact O-N 3.26Å; M368-T371 PolarHBondContact O-N 3.41Å; M368-T371 VanDerWaalsContact O-N 3.17Å; M368-E372 VanDerWaalsContact CG-OE1 3.3Å; M368-E372 WeakPolarHBondContact CG-OE1 3.26Å; M368-E372 PolarHBondContact O-N 2.86Å
369	R	90	Very high	85.1	Confident	32 Å²	32	68.6 Å²	68.6	12%	0.121	38%	0.377	C	S	.	.	H	α-helix	trans	-58.5	-42.3	176.9	-67.1	-58.4	97.5	-166.3	5.4	112.6	F228 F365 L366 E372 L373 I399	F228-R369 VanDerWaalsContact CZ-NH2 3.3Å; F365-R369 HydrophobicContact CD2-CG 4.11Å; F365-R369 HydrophobicContact CE1-CG 4.18Å; F365-R369 HydrophobicContact CE2-CG 3.61Å; F365-R369 HydrophobicContact CZ-CG 3.67Å; F365-R369 WeakPolarHBondContact O-CG 3.49Å; F365-R369 PolarHBondContact O-N 3.46Å; L366-R369 PolarHBondContact O-N 3.02Å; R369-E372 VanDerWaalsContact CZ-CD 3.44Å; R369-E372 IonicContact CZ-OE1 3.43Å; R369-E372 IonicContact CZ-OE2 2.85Å; R369-E372 IonicContact NE-OE2 2.96Å; R369-E372 IonicContact NH1-OE1 2.82Å; R369-E372 IonicContact NH1-OE2 3.7Å; R369-E372 PolarHBondContact NH1-OE2 2.88Å; R369-E372 IonicContact NH2-OE1 3.61Å; R369-E372 PolarHBondContact NH2-OE1 2.84Å; R369-E372 IonicContact NH2-OE2 3.69Å; R369-E372 PolarHBondContact NH2-OE2 3.3Å; R369-E372 PolarHBondContact O-N 2.65Å; R369-L373 WeakPolarHBondContact O-CG 3.5Å; R369-L373 PolarHBondContact O-N 3.45Å; R369-L373 VanDerWaalsContact O-N 3.12Å; R369-I399 HydrophobicContact CB-CD1 4.16Å; R369-I399 HydrophobicContact CB-CG2 4.22Å
370	L	90.8	Very high	82.7	Confident	28 Å²	28	71.3 Å²	71.3	15%	0.147	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-42.7	176.3	-72.4	172.2	0	0	0	112.2	L366 K367 M368 E372 L373 D374 K396 I399 Q400 A403	L366-L370 WeakPolarHBondContact O-CG 3.19Å; L366-L370 PolarHBondContact O-N 3.12Å; K367-L370 PolarHBondContact O-N 3.45Å; M368-L370 VanDerWaalsContact C-N 3.33Å; M368-L370 PolarHBondContact O-N 3.26Å; L370-E372 VanDerWaalsContact C-N 3.32Å; L370-E372 PolarHBondContact O-N 3.43Å; L370-L373 PolarHBondContact O-N 3.47Å; L370-D374 PolarHBondContact O-N 3.13Å; L370-K396 HydrophobicContact CD2-CG 4.28Å; L370-I399 HydrophobicContact CD1-CG2 4.44Å; L370-I399 HydrophobicContact CD2-CB 3.96Å; L370-I399 HydrophobicContact CD2-CG2 3.67Å; L370-I399 HydrophobicContact CG-CG2 3.69Å; L370-Q400 HydrophobicContact CD1-CG 4.34Å; L370-Q400 HydrophobicContact CD2-CB 4.49Å; L370-Q400 HydrophobicContact CD2-CG 3.49Å; L370-Q400 VanDerWaalsContact CD2-CG 3.49Å; L370-A403 HydrophobicContact CD1-CB 3.95Å
371	T	89.8	Confident	80.4	Confident	88 Å²	88	75.4 Å²	75.4	54%	0.54	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-40.6	179.4	-53.4	0	0	0	0	111.5	K367 M368 D374 S375	K367-T371 PolarHBondContact O-N 2.88Å; K367-T371 PolarHBondContact O-OG1 3.13Å; M368-T371 PolarHBondContact O-N 3.41Å; M368-T371 VanDerWaalsContact O-N 3.17Å; T371-D374 PolarHBondContact O-N 3.1Å; T371-S375 PolarHBondContact O-N 3.4Å
372	E	86.1	Confident	78.2	Confident	65 Å²	65	75.7 Å²	75.7	30%	0.304	42%	0.415	S	S	.	.	H	α-helix	trans	-66.7	-40.2	176.8	-71.1	171.8	-151.2	0	0	112.1	M368 R369 L370 D374 S375	M368-E372 VanDerWaalsContact CG-OE1 3.3Å; M368-E372 WeakPolarHBondContact CG-OE1 3.26Å; M368-E372 PolarHBondContact O-N 2.86Å; R369-E372 VanDerWaalsContact CZ-CD 3.44Å; R369-E372 IonicContact CZ-OE1 3.43Å; R369-E372 IonicContact CZ-OE2 2.85Å; R369-E372 IonicContact NE-OE2 2.96Å; R369-E372 IonicContact NH1-OE1 2.82Å; R369-E372 IonicContact NH1-OE2 3.7Å; R369-E372 PolarHBondContact NH1-OE2 2.88Å; R369-E372 IonicContact NH2-OE1 3.61Å; R369-E372 PolarHBondContact NH2-OE1 2.84Å; R369-E372 IonicContact NH2-OE2 3.69Å; R369-E372 PolarHBondContact NH2-OE2 3.3Å; R369-E372 PolarHBondContact O-N 2.65Å; L370-E372 VanDerWaalsContact C-N 3.32Å; L370-E372 PolarHBondContact O-N 3.43Å; E372-D374 VanDerWaalsContact C-N 3.25Å; E372-D374 PolarHBondContact O-N 2.92Å; E372-S375 PolarHBondContact O-N 3.24Å; E372-S375 PolarHBondContact O-OG 3.42Å
373	L	84.2	Confident	75.9	Confident	88 Å²	88	80.5 Å²	80.5	46%	0.461	45%	0.445	S	S	.	.	H	α-helix	trans	-70.6	-18.1	175.4	-69.8	173.8	0	0	0	114	R369 L370 K396 I399	R369-L373 WeakPolarHBondContact O-CG 3.5Å; R369-L373 PolarHBondContact O-N 3.45Å; R369-L373 VanDerWaalsContact O-N 3.12Å; L370-L373 PolarHBondContact O-N 3.47Å; L373-K396 HydrophobicContact CB-CD 4.43Å; L373-K396 HydrophobicContact CD1-CB 4.08Å; L373-K396 HydrophobicContact CD1-CG 4.24Å; L373-I399 HydrophobicContact CD1-CD1 3.66Å
374	D	82.5	Confident	73.6	Confident	96 Å²	96	85.2 Å²	85.2	51%	0.513	47%	0.473	S	S	.	.	H	α-helix	trans	-87.4	-17.8	173.4	-82	-41.9	0	0	0	112.7	L370 T371 E372 D376 K396	L370-D374 PolarHBondContact O-N 3.13Å; T371-D374 PolarHBondContact O-N 3.1Å; E372-D374 VanDerWaalsContact C-N 3.25Å; E372-D374 PolarHBondContact O-N 2.92Å; D374-D376 PolarHBondContact O-N 3.08Å; D374-K396 VanDerWaalsContact OD1-CE 3.26Å; D374-K396 WeakPolarHBondContact OD1-CE 3.27Å; D374-K396 IonicContact OD1-NZ 3.25Å; D374-K396 PolarHBondContact OD1-NZ 3.34Å
375	S	76.7	Confident	71.4	Confident	54 Å²	54	85.1 Å²	85.1	38%	0.378	46%	0.463	S	S	.	.			trans	-77.9	117.8	-179.5	65.5	0	0	0	0	111.6	T371 E372 D377 S378	T371-S375 PolarHBondContact O-N 3.4Å; E372-S375 PolarHBondContact O-N 3.24Å; E372-S375 PolarHBondContact O-OG 3.42Å; S375-D377 PolarHBondContact O-N 3.34Å; S375-D377 VanDerWaalsContact O-N 3.12Å; S375-S378 PolarHBondContact O-OG 3.16Å
376	D	63.3	Low	68.9	Low	170 Å²	170	90.6 Å²	90.6	91%	0.909	49%	0.493	S	S	*	.	S	Bend	trans	-60.4	-17.7	173.5	-74.8	-29.5	0	0	0	112.6	D374 S378	D374-D376 PolarHBondContact O-N 3.08Å; D376-S378 PolarHBondContact O-N 2.71Å
377	D	56.4	Low	66.5	Low	93 Å²	93	98.7 Å²	98.7	50%	0.497	54%	0.536	S	S	.	.			trans	-85	55.3	175.9	-159.9	23.6	0	0	0	111.4	S375 S379 S380	S375-D377 PolarHBondContact O-N 3.34Å; S375-D377 VanDerWaalsContact O-N 3.12Å; D377-S379 PolarHBondContact O-N 3Å; D377-S380 VanDerWaalsContact CG-OG 3.31Å; D377-S380 WeakPolarHBondContact OD2-CB 3.34Å; D377-S380 PolarHBondContact OD2-OG 3.15Å
378	S	53.1	Low	64.1	Low	104 Å²	104	94.4 Å²	94.4	73%	0.727	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	13.3	179.4	-63.2	0	0	0	0	114.2	S375 D376	S375-S378 PolarHBondContact O-OG 3.16Å; D376-S378 PolarHBondContact O-N 2.71Å
379	S	50.6	Low	62.1	Low	84 Å²	84	94.7 Å²	94.7	59%	0.587	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.9	-10.2	-172.7	72.8	0	0	0	0	116.5	D377 V383	D377-S379 PolarHBondContact O-N 3Å; S379-V383 WeakPolarHBondContact O-CG2 3.47Å
380	S	48.2	Very low	60	Low	57 Å²	57	99.8 Å²	99.8	40%	0.399	57%	0.565	S	S	.	*	S	Bend	trans	-109.4	-19.2	-162.4	67.2	0	0	0	0	117.8	D377	D377-S380 VanDerWaalsContact CG-OG 3.31Å; D377-S380 WeakPolarHBondContact OD2-CB 3.34Å; D377-S380 PolarHBondContact OD2-OG 3.15Å
381	H	50.6	Low	57.9	Low	177 Å²	177	106.7 Å²	106.7	82%	0.819	60%	0.597	S	S	*	*	S	Bend	trans	-118	-12.7	-169.1	-81.8	-67.1	0	0	0	118.6
382	L	50.7	Low	56.1	Low	78 Å²	78	105.7 Å²	105.7	41%	0.408	59%	0.593	S	S	.	*	S	Bend	trans	-128.4	0.7	176.3	-94.4	162.8	0	0	0	115.4	L384 I385	L382-L384 PolarHBondContact O-N 3.17Å; L382-I385 HydrophobicContact CD2-CD1 3.57Å; L382-I385 HydrophobicContact CD2-CG1 4.11Å; L382-I385 PolarHBondContact O-N 3.23Å
383	V	47.9	Very low	55	Low	102 Å²	102	108.2 Å²	108.2	62%	0.618	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-6	177.4	179.2	0	0	0	0	113.6	S379 I385	S379-V383 WeakPolarHBondContact O-CG2 3.47Å; V383-I385 VanDerWaalsContact C-N 3.33Å
384	L	48.6	Very low	54.4	Low	177 Å²	177	106.3 Å²	106.3	93%	0.927	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-8.4	172.1	-66.8	174.9	0	0	0	113.9	L382	L382-L384 PolarHBondContact O-N 3.17Å
385	I	50.9	Low	54.3	Low	56 Å²	56	106.6 Å²	106.6	29%	0.287	61%	0.609	S	S	.	*	S	Bend	trans	-101.9	100.9	170.5	-51.5	-176.6	0	0	0	106.8	L382 V383 I389	L382-I385 HydrophobicContact CD2-CD1 3.57Å; L382-I385 HydrophobicContact CD2-CG1 4.11Å; L382-I385 PolarHBondContact O-N 3.23Å; V383-I385 VanDerWaalsContact C-N 3.33Å; I385-I389 HydrophobicContact CB-CD1 3.83Å; I385-I389 HydrophobicContact CG2-CD1 3.78Å; I385-I389 HydrophobicContact CG2-CG1 4.43Å; I385-I389 WeakPolarHBondContact O-CD1 3.16Å
386	D	43.5	Very low	54.8	Low	127 Å²	127	107 Å²	107	68%	0.679	60%	0.604	S	S	*	*			trans	23.3	125.4	164.6	-158.8	39.9	0	0	0	118.2	G388 I389	D386-G388 PolarHBondContact O-N 3.41Å; D386-I389 WeakPolarHBondContact O-CG1 3.41Å; D386-I389 PolarHBondContact O-N 3.27Å
387	D	45.2	Very low	56.2	Low	170 Å²	170	102 Å²	102	91%	0.909	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.2	-4.5	173.4	-114.4	4.1	0	0	0	114.2
388	G	45.4	Very low	57.9	Low	54 Å²	54	100.9 Å²	100.9	56%	0.557	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-1	172.3	0	0	0	0	0	115.6	D386 N390	D386-G388 PolarHBondContact O-N 3.41Å; G388-N390 PolarHBondContact O-N 3.01Å
389	I	49.7	Very low	59.8	Low	89 Å²	89	96.2 Å²	96.2	46%	0.456	54%	0.538	S	S	.	.			trans	-72.3	64.4	165.1	-49.5	173.8	0	0	0	108.2	I385 D386 E391	I385-I389 HydrophobicContact CB-CD1 3.83Å; I385-I389 HydrophobicContact CG2-CD1 3.78Å; I385-I389 HydrophobicContact CG2-CG1 4.43Å; I385-I389 WeakPolarHBondContact O-CD1 3.16Å; D386-I389 WeakPolarHBondContact O-CG1 3.41Å; D386-I389 PolarHBondContact O-N 3.27Å; I389-E391 PolarHBondContact O-N 3.47Å
390	N	45.6	Very low	61.9	Low	138 Å²	138	96.6 Å²	96.6	74%	0.738	53%	0.531	S	S	*	.			trans	-45	116.8	153.2	-96.8	-24.7	0	0	0	105.9	G388 S392	G388-N390 PolarHBondContact O-N 3.01Å; N390-S392 VanDerWaalsContact C-N 3.34Å; N390-S392 PolarHBondContact O-N 3.04Å
391	E	46.1	Very low	64.2	Low	174 Å²	174	100 Å²	100	81%	0.813	54%	0.538	S	S	*	.			trans	-2.9	90.5	147.1	-66.8	173.5	145.2	0	0	110.6	I389 S393	I389-E391 PolarHBondContact O-N 3.47Å; E391-S393 PolarHBondContact O-N 2.95Å
392	S	52.5	Low	66.4	Low	67 Å²	67	92.4 Å²	92.4	47%	0.469	50%	0.502	S	S	.	.			trans	-56.9	107.2	157.1	56	0	0	0	0	102.5	N390 I394	N390-S392 VanDerWaalsContact C-N 3.34Å; N390-S392 PolarHBondContact O-N 3.04Å; S392-I394 PolarHBondContact O-N 3.06Å
393	S	63.6	Low	68.5	Low	118 Å²	118	89.5 Å²	89.5	83%	0.825	49%	0.49	S	S	*	.			trans	-65.7	21.8	-162.7	58.8	0	0	0	0	114.2	E391 D395	E391-S393 PolarHBondContact O-N 2.95Å; S393-D395 PolarHBondContact O-N 3.03Å
394	I	70.5	Confident	70.9	Confident	48 Å²	48	89.8 Å²	89.8	25%	0.246	48%	0.484	C	S	.	.			trans	-83.7	105.1	-178.4	-63.9	167	0	0	0	106.8	F224 S392 Q398 I399 W402	F224-I394 HydrophobicContact CB-CD1 4.11Å; F224-I394 HydrophobicContact CD2-CD1 3.23Å; F224-I394 HydrophobicContact CE2-CD1 3.67Å; F224-I394 HydrophobicContact CG-CD1 3.72Å; F224-I394 HydrophobicContact CZ-CD1 4.47Å; S392-I394 PolarHBondContact O-N 3.06Å; I394-Q398 HydrophobicContact CG2-CB 3.81Å; I394-Q398 HydrophobicContact CG2-CG 3.93Å; I394-I399 HydrophobicContact CG2-CG1 3.93Å; I394-W402 HydrophobicContact CD1-CH2 3.97Å; I394-W402 HydrophobicContact CD1-CZ3 4.2Å; I394-W402 HydrophobicContact CG2-CH2 4.13Å; I394-W402 HydrophobicContact CG2-CZ3 3.83Å
395	D	82.1	Confident	73.2	Confident	101 Å²	101	81.8 Å²	81.8	54%	0.54	45%	0.445	S	S	.	.			trans	-54.6	143.7	174.6	-176.4	2.5	0	0	0	110.9	S393 V397 Q398 I399	S393-D395 PolarHBondContact O-N 3.03Å; D395-V397 PolarHBondContact O-N 3.1Å; D395-V397 PolarHBondContact OD1-N 2.93Å; D395-V397 WeakPolarHBondContact OD2-CG2 3.49Å; D395-Q398 WeakPolarHBondContact O-CA 3.3Å; D395-Q398 WeakPolarHBondContact O-CB 3.27Å; D395-Q398 PolarHBondContact O-N 3.39Å; D395-I399 PolarHBondContact O-N 2.63Å
396	K	87.5	Confident	75.4	Confident	64 Å²	64	79.1 Å²	79.1	28%	0.278	43%	0.431	S	S	.	.	H	α-helix	trans	-46.6	-36.9	171.1	-178.4	178.8	179.4	176.7	0	111.9	L370 L373 D374 Q398 I399 Q400	L370-K396 HydrophobicContact CD2-CG 4.28Å; L373-K396 HydrophobicContact CB-CD 4.43Å; L373-K396 HydrophobicContact CD1-CB 4.08Å; L373-K396 HydrophobicContact CD1-CG 4.24Å; D374-K396 VanDerWaalsContact OD1-CE 3.26Å; D374-K396 WeakPolarHBondContact OD1-CE 3.27Å; D374-K396 IonicContact OD1-NZ 3.25Å; D374-K396 PolarHBondContact OD1-NZ 3.34Å; K396-Q398 VanDerWaalsContact C-N 3.28Å; K396-Q398 PolarHBondContact O-N 3.25Å; K396-I399 PolarHBondContact O-N 3.37Å; K396-Q400 WeakPolarHBondContact O-CG 3Å; K396-Q400 PolarHBondContact O-N 2.87Å
397	V	90.9	Very high	78	Confident	65 Å²	65	75.7 Å²	75.7	39%	0.394	41%	0.413	S	S	.	.	H	α-helix	trans	-58.3	-38.6	176	177.8	0	0	0	0	112.1	D395 Q400 K401	D395-V397 PolarHBondContact O-N 3.1Å; D395-V397 PolarHBondContact OD1-N 2.93Å; D395-V397 WeakPolarHBondContact OD2-CG2 3.49Å; V397-Q400 PolarHBondContact O-N 3Å; V397-K401 WeakPolarHBondContact O-CG 3.43Å; V397-K401 PolarHBondContact O-N 2.98Å
398	Q	92.8	Very high	80.5	Confident	68 Å²	68	70.9 Å²	70.9	32%	0.318	39%	0.387	S	S	.	.	H	α-helix	trans	-71.6	-39.7	179	-174.8	58.3	33.6	0	0	111.6	I394 D395 K396 Q400 K401 W402	I394-Q398 HydrophobicContact CG2-CB 3.81Å; I394-Q398 HydrophobicContact CG2-CG 3.93Å; D395-Q398 WeakPolarHBondContact O-CA 3.3Å; D395-Q398 WeakPolarHBondContact O-CB 3.27Å; D395-Q398 PolarHBondContact O-N 3.39Å; K396-Q398 VanDerWaalsContact C-N 3.28Å; K396-Q398 PolarHBondContact O-N 3.25Å; Q398-Q400 VanDerWaalsContact C-N 3.31Å; Q398-Q400 PolarHBondContact O-N 2.7Å; Q398-K401 WeakPolarHBondContact O-CB 3.42Å; Q398-K401 PolarHBondContact O-N 3.19Å; Q398-W402 HydrophobicContact CG-CD2 4.25Å; Q398-W402 HydrophobicContact CG-CE3 4.35Å; Q398-W402 HydrophobicContact CG-CH2 4.11Å; Q398-W402 HydrophobicContact CG-CZ2 3.97Å; Q398-W402 HydrophobicContact CG-CZ3 4.3Å; Q398-W402 VanDerWaalsContact NE2-CE2 3.29Å; Q398-W402 VanDerWaalsContact NE2-NE1 3.11Å; Q398-W402 PolarHBondContact O-N 2.72Å
399	I	92.9	Very high	82.9	Confident	6 Å²	6	68.4 Å²	68.4	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-62.8	-41.1	174.5	-56.2	-171.5	0	0	0	110.4	F224 L366 R369 L370 L373 I394 D395 K396 K401 W402 A403	F224-I399 HydrophobicContact CE1-CD1 4.46Å; F224-I399 HydrophobicContact CZ-CD1 4.41Å; L366-I399 HydrophobicContact CD2-CG2 3.69Å; R369-I399 HydrophobicContact CB-CD1 4.16Å; R369-I399 HydrophobicContact CB-CG2 4.22Å; L370-I399 HydrophobicContact CD1-CG2 4.44Å; L370-I399 HydrophobicContact CD2-CB 3.96Å; L370-I399 HydrophobicContact CD2-CG2 3.67Å; L370-I399 HydrophobicContact CG-CG2 3.69Å; L373-I399 HydrophobicContact CD1-CD1 3.66Å; I394-I399 HydrophobicContact CG2-CG1 3.93Å; D395-I399 PolarHBondContact O-N 2.63Å; K396-I399 PolarHBondContact O-N 3.37Å; I399-K401 PolarHBondContact O-N 3.41Å; I399-W402 PolarHBondContact O-N 3.07Å; I399-A403 WeakPolarHBondContact O-CB 3.4Å; I399-A403 PolarHBondContact O-N 3Å
400	Q	94.9	Very high	85.2	Confident	93 Å²	93	65 Å²	65	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-42.8	174.1	-72	177.6	-23.3	0	0	112.1	L370 K396 V397 Q398 A403 Q404	L370-Q400 HydrophobicContact CD1-CG 4.34Å; L370-Q400 HydrophobicContact CD2-CB 4.49Å; L370-Q400 HydrophobicContact CD2-CG 3.49Å; L370-Q400 VanDerWaalsContact CD2-CG 3.49Å; K396-Q400 WeakPolarHBondContact O-CG 3Å; K396-Q400 PolarHBondContact O-N 2.87Å; V397-Q400 PolarHBondContact O-N 3Å; Q398-Q400 VanDerWaalsContact C-N 3.31Å; Q398-Q400 PolarHBondContact O-N 2.7Å; Q400-A403 PolarHBondContact O-N 3.31Å; Q400-Q404 PolarHBondContact O-N 3.12Å
401	K	95.8	Very high	87.5	Confident	127 Å²	127	61.4 Å²	61.4	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-61.2	-44.4	175.3	-74.9	173.8	-177.3	174	0	112.1	V397 Q398 I399 G405	V397-K401 WeakPolarHBondContact O-CG 3.43Å; V397-K401 PolarHBondContact O-N 2.98Å; Q398-K401 WeakPolarHBondContact O-CB 3.42Å; Q398-K401 PolarHBondContact O-N 3.19Å; I399-K401 PolarHBondContact O-N 3.41Å; K401-G405 PolarHBondContact O-N 3.14Å
402	W	96.7	Very high	89.8	Confident	19 Å²	19	55.7 Å²	55.7	7%	0.072	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-40.3	175.3	-73.9	-29.6	0	0	0	112.3	H218 A220 L221 F224 L366 I394 Q398 I399 G405 I406	H218-W402 AromaticContact CD2-CD1 3.74Å; A220-W402 HydrophobicContact CB-CZ2 3.88Å; L221-W402 HydrophobicContact CB-CD2 3.95Å; L221-W402 HydrophobicContact CB-CE3 4.38Å; L221-W402 HydrophobicContact CB-CG 4.15Å; L221-W402 HydrophobicContact CB-CZ2 4.45Å; L221-W402 HydrophobicContact CD1-CB 4.44Å; L221-W402 HydrophobicContact CD1-CD2 4.06Å; L221-W402 HydrophobicContact CD1-CE3 3.78Å; L221-W402 HydrophobicContact CD1-CG 4.38Å; L221-W402 HydrophobicContact CD1-CZ3 4.32Å; L221-W402 HydrophobicContact CD2-CB 4.3Å; L221-W402 HydrophobicContact CD2-CG 4.47Å; F224-W402 HydrophobicContact CB-CH2 4.09Å; F224-W402 HydrophobicContact CB-CZ3 4.12Å; F224-W402 HydrophobicContact CD1-CE3 4.38Å; F224-W402 HydrophobicContact CD1-CH2 4.48Å; F224-W402 AromaticContact CD1-CZ3 3.68Å; F224-W402 HydrophobicContact CD1-CZ3 3.68Å; F224-W402 HydrophobicContact CE1-CZ3 4.32Å; F224-W402 HydrophobicContact CG-CH2 4.37Å; F224-W402 AromaticContact CG-CZ3 3.99Å; F224-W402 HydrophobicContact CG-CZ3 3.99Å; L366-W402 HydrophobicContact CD1-CB 3.98Å; L366-W402 HydrophobicContact CD2-CB 4.05Å; L366-W402 HydrophobicContact CD2-CE3 4.33Å; I394-W402 HydrophobicContact CD1-CH2 3.97Å; I394-W402 HydrophobicContact CD1-CZ3 4.2Å; I394-W402 HydrophobicContact CG2-CH2 4.13Å; I394-W402 HydrophobicContact CG2-CZ3 3.83Å; Q398-W402 HydrophobicContact CG-CD2 4.25Å; Q398-W402 HydrophobicContact CG-CE3 4.35Å; Q398-W402 HydrophobicContact CG-CH2 4.11Å; Q398-W402 HydrophobicContact CG-CZ2 3.97Å; Q398-W402 HydrophobicContact CG-CZ3 4.3Å; Q398-W402 VanDerWaalsContact NE2-CE2 3.29Å; Q398-W402 VanDerWaalsContact NE2-NE1 3.11Å; Q398-W402 PolarHBondContact O-N 2.72Å; I399-W402 PolarHBondContact O-N 3.07Å; W402-G405 PolarHBondContact O-N 3.44Å; W402-I406 WeakPolarHBondContact O-CG1 3.29Å; W402-I406 PolarHBondContact O-N 3Å
403	A	96.1	Very high	91.8	Very high	17 Å²	17	52.6 Å²	52.6	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-48.2	177.9	0	0	0	0	0	111.1	L366 L370 I399 Q400 G405 I406 D407	L366-A403 HydrophobicContact CB-CB 4.2Å; L366-A403 HydrophobicContact CD1-CB 4.4Å; L370-A403 HydrophobicContact CD1-CB 3.95Å; I399-A403 WeakPolarHBondContact O-CB 3.4Å; I399-A403 PolarHBondContact O-N 3Å; Q400-A403 PolarHBondContact O-N 3.31Å; A403-G405 PolarHBondContact O-N 3.41Å; A403-I406 PolarHBondContact O-N 2.9Å; A403-D407 PolarHBondContact O-N 3.44Å
404	Q	97	Very high	93.1	Very high	107 Å²	107	50.9 Å²	50.9	50%	0.5	27%	0.268	S	S	.	.	H	α-helix	trans	-61.5	-43.4	175.1	-173.5	61.1	56	0	0	111.7	Q400 I406 D407 D408	Q400-Q404 PolarHBondContact O-N 3.12Å; Q404-I406 PolarHBondContact O-N 3.32Å; Q404-D407 PolarHBondContact O-N 2.88Å; Q404-D408 PolarHBondContact NE2-OD1 3.08Å; Q404-D408 PolarHBondContact O-N 3.02Å
405	G	97.2	Very high	94.1	Very high	10 Å²	10	51.7 Å²	51.7	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-38.4	178.9	0	0	0	0	0	113.5	K401 W402 A403 D408 I409	K401-G405 PolarHBondContact O-N 3.14Å; W402-G405 PolarHBondContact O-N 3.44Å; A403-G405 PolarHBondContact O-N 3.41Å; G405-D408 PolarHBondContact O-N 3.12Å; G405-I409 WeakPolarHBondContact O-CD1 3.49Å; G405-I409 WeakPolarHBondContact O-CG1 3.1Å; G405-I409 PolarHBondContact O-N 3.36Å
406	I	97.8	Very high	94.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.8	-40.3	173	-68	-63.3	0	0	0	111.1	L221 F249 L359 L362 K363 L366 W402 A403 Q404 D408 I409 I410	L221-I406 HydrophobicContact CD2-CD1 3.93Å; L221-I406 HydrophobicContact CD2-CG1 3.82Å; F249-I406 HydrophobicContact CE2-CD1 4.17Å; L359-I406 HydrophobicContact CD2-CD1 4.07Å; L362-I406 HydrophobicContact CB-CD1 4.48Å; L362-I406 HydrophobicContact CD1-CD1 4.07Å; K363-I406 HydrophobicContact CB-CG2 4Å; L366-I406 HydrophobicContact CD1-CB 4.49Å; L366-I406 HydrophobicContact CD1-CG1 3.96Å; W402-I406 WeakPolarHBondContact O-CG1 3.29Å; W402-I406 PolarHBondContact O-N 3Å; A403-I406 PolarHBondContact O-N 2.9Å; Q404-I406 PolarHBondContact O-N 3.32Å; I406-D408 VanDerWaalsContact C-N 3.33Å; I406-D408 PolarHBondContact O-N 3.11Å; I406-I409 HydrophobicContact CD1-CD1 4.4Å; I406-I409 PolarHBondContact O-N 3.42Å; I406-I410 HydrophobicContact CG2-CD1 3.79Å; I406-I410 HydrophobicContact CG2-CG1 4.39Å; I406-I410 WeakPolarHBondContact O-CB 3.42Å; I406-I410 VanDerWaalsContact O-CG1 3.26Å; I406-I410 WeakPolarHBondContact O-CG1 3.48Å; I406-I410 PolarHBondContact O-N 3.03Å
407	D	97.5	Very high	94.5	Very high	55 Å²	55	48.7 Å²	48.7	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-41.4	173.9	-81.9	-27.9	0	0	0	112	K363 A403 Q404 I410 A411	K363-D407 VanDerWaalsContact CD-OD1 3.3Å; K363-D407 WeakPolarHBondContact CD-OD1 3.35Å; K363-D407 WeakPolarHBondContact CE-OD1 3.45Å; K363-D407 IonicContact NZ-OD1 3.01Å; K363-D407 PolarHBondContact NZ-OD1 2.74Å; A403-D407 PolarHBondContact O-N 3.44Å; Q404-D407 PolarHBondContact O-N 2.88Å; D407-I410 PolarHBondContact O-N 3.41Å; D407-A411 WeakPolarHBondContact O-CB 3.43Å; D407-A411 PolarHBondContact O-N 3.46Å
408	D	97.2	Very high	94.4	Very high	69 Å²	69	46 Å²	46	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-64.3	-41.7	175.6	-65.5	-15	0	0	0	111.5	Q404 G405 I406 A411 D412	Q404-D408 PolarHBondContact NE2-OD1 3.08Å; Q404-D408 PolarHBondContact O-N 3.02Å; G405-D408 PolarHBondContact O-N 3.12Å; I406-D408 VanDerWaalsContact C-N 3.33Å; I406-D408 PolarHBondContact O-N 3.11Å; D408-A411 PolarHBondContact O-N 2.93Å; D408-D412 PolarHBondContact O-N 3.43Å
409	I	96.8	Very high	94.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-43.2	175.7	-69.5	162.3	0	0	0	110.7	K214 L215 L359 G405 I406 A411 D412 V413	K214-I409 HydrophobicContact CB-CD1 4.08Å; K214-I409 HydrophobicContact CB-CG1 3.81Å; K214-I409 HydrophobicContact CD-CG1 4.32Å; L215-I409 HydrophobicContact CD2-CD1 4.28Å; L215-I409 HydrophobicContact CD2-CG2 3.81Å; L215-I409 HydrophobicContact CG-CG2 4.45Å; L359-I409 HydrophobicContact CD1-CG2 3.89Å; L359-I409 HydrophobicContact CD2-CG2 3.89Å; G405-I409 WeakPolarHBondContact O-CD1 3.49Å; G405-I409 WeakPolarHBondContact O-CG1 3.1Å; G405-I409 PolarHBondContact O-N 3.36Å; I406-I409 HydrophobicContact CD1-CD1 4.4Å; I406-I409 PolarHBondContact O-N 3.42Å; I409-A411 VanDerWaalsContact C-N 3.27Å; I409-A411 PolarHBondContact O-N 2.96Å; I409-D412 PolarHBondContact O-N 2.74Å; I409-V413 HydrophobicContact CG2-CG2 4.18Å; I409-V413 WeakPolarHBondContact O-CB 3.46Å; I409-V413 WeakPolarHBondContact O-CG2 3.33Å; I409-V413 PolarHBondContact O-N 3.2Å
410	I	97	Very high	94.1	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.097	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-39.3	175.8	-73.8	167.9	0	0	0	110.5	M356 L359 L360 K363 I406 D407 N414	M356-I410 HydrophobicContact CE-CG2 4.27Å; L359-I410 HydrophobicContact CB-CD1 4.15Å; L359-I410 HydrophobicContact CB-CG1 3.86Å; L359-I410 HydrophobicContact CD1-CG1 4.14Å; L360-I410 HydrophobicContact CD2-CD1 4.31Å; K363-I410 HydrophobicContact CB-CD1 4.2Å; K363-I410 HydrophobicContact CD-CD1 3.74Å; I406-I410 HydrophobicContact CG2-CD1 3.79Å; I406-I410 HydrophobicContact CG2-CG1 4.39Å; I406-I410 WeakPolarHBondContact O-CB 3.42Å; I406-I410 VanDerWaalsContact O-CG1 3.26Å; I406-I410 WeakPolarHBondContact O-CG1 3.48Å; I406-I410 PolarHBondContact O-N 3.03Å; D407-I410 PolarHBondContact O-N 3.41Å; I410-N414 WeakPolarHBondContact O-CB 3.4Å; I410-N414 PolarHBondContact O-N 3.02Å; I410-N414 PolarHBondContact O-ND2 2.74Å
411	A	95.8	Very high	93.8	Very high	61 Å²	61	43.6 Å²	43.6	50%	0.504	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-45.5	176.3	0	0	0	0	0	111.8	D407 D408 I409 V413 N414 D415	D407-A411 WeakPolarHBondContact O-CB 3.43Å; D407-A411 PolarHBondContact O-N 3.46Å; D408-A411 PolarHBondContact O-N 2.93Å; I409-A411 VanDerWaalsContact C-N 3.27Å; I409-A411 PolarHBondContact O-N 2.96Å; A411-V413 PolarHBondContact O-N 3.22Å; A411-N414 CarbonylContact O-C 3.55Å; A411-N414 PolarHBondContact O-N 3.08Å; A411-D415 PolarHBondContact O-N 3.36Å
412	D	94.2	Very high	93.4	Very high	54 Å²	54	38.2 Å²	38.2	29%	0.289	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-42.2	176.7	-71.2	-11.1	0	0	0	112.4	I211 K214 D408 I409 N414 D415	I211-D412 HydrophobicContact CD1-CB 4.3Å; I211-D412 HydrophobicContact CG1-CB 4.09Å; K214-D412 VanDerWaalsContact CD-OD2 3.24Å; K214-D412 WeakPolarHBondContact CD-OD2 3.49Å; K214-D412 VanDerWaalsContact CE-OD2 3.28Å; K214-D412 WeakPolarHBondContact CE-OD2 3.42Å; K214-D412 IonicContact NZ-OD1 3.86Å; K214-D412 IonicContact NZ-OD2 2.6Å; K214-D412 PolarHBondContact NZ-OD2 2.87Å; D408-D412 PolarHBondContact O-N 3.43Å; I409-D412 PolarHBondContact O-N 2.74Å; D412-N414 VanDerWaalsContact C-N 3.32Å; D412-D415 WeakPolarHBondContact O-CB 3.47Å; D412-D415 PolarHBondContact O-N 3.05Å
413	V	92.7	Very high	93.1	Very high	3 Å²	3	39 Å²	39	2%	0.018	23%	0.23	C	C	.	.	H	α-helix	trans	-70.1	-30.1	-179.2	173.1	0	0	0	0	111.4	I211 F352 L355 M356 L359 I409 A411	I211-V413 HydrophobicContact CD1-CG2 4.14Å; I211-V413 HydrophobicContact CG2-CG2 3.58Å; F352-V413 HydrophobicContact CD2-CG1 4.06Å; F352-V413 HydrophobicContact CE2-CG1 3.24Å; F352-V413 WeakPolarHBondContact CE2-O 3.43Å; F352-V413 HydrophobicContact CZ-CG1 3.54Å; F352-V413 WeakPolarHBondContact CZ-O 3.29Å; L355-V413 HydrophobicContact CD2-CG2 4.42Å; M356-V413 HydrophobicContact CG-CG1 4.46Å; M356-V413 HydrophobicContact SD-CB 4.36Å; M356-V413 HydrophobicContact SD-CG1 3.62Å; L359-V413 HydrophobicContact CD1-CG2 4.44Å; I409-V413 HydrophobicContact CG2-CG2 4.18Å; I409-V413 WeakPolarHBondContact O-CB 3.46Å; I409-V413 WeakPolarHBondContact O-CG2 3.33Å; I409-V413 PolarHBondContact O-N 3.2Å; A411-V413 PolarHBondContact O-N 3.22Å
414	N	92.2	Very high	92.7	Very high	82 Å²	82	38.4 Å²	38.4	44%	0.439	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	15.5	175.5	-70.5	-65.4	0	0	0	113.8	M356 I410 A411 D412 P416	M356-N414 WeakPolarHBondContact CE-ND2 3.25Å; I410-N414 WeakPolarHBondContact O-CB 3.4Å; I410-N414 PolarHBondContact O-N 3.02Å; I410-N414 PolarHBondContact O-ND2 2.74Å; A411-N414 CarbonylContact O-C 3.55Å; A411-N414 PolarHBondContact O-N 3.08Å; D412-N414 VanDerWaalsContact C-N 3.32Å; N414-P416 VanDerWaalsContact O-CD 3.29Å; N414-P416 WeakPolarHBondContact O-CD 3.47Å; N414-P416 VanDerWaalsContact O-N 3.15Å
415	D	91.1	Very high	92.1	Very high	65 Å²	65	35 Å²	35	35%	0.348	21%	0.208	S	C	.	.			trans	-55.8	120.3	173.7	175.5	11.8	0	0	0	109.7	A411 D412 V417 L418 A419	A411-D415 PolarHBondContact O-N 3.36Å; D412-D415 WeakPolarHBondContact O-CB 3.47Å; D412-D415 PolarHBondContact O-N 3.05Å; D415-V417 PolarHBondContact O-N 3.33Å; D415-V417 VanDerWaalsContact O-N 3.17Å; D415-V417 PolarHBondContact OD1-N 2.87Å; D415-L418 HydrophobicContact CB-CB 3.92Å; D415-L418 WeakPolarHBondContact O-CB 3.4Å; D415-L418 PolarHBondContact O-N 2.96Å; D415-A419 PolarHBondContact O-N 2.95Å; D415-A419 VanDerWaalsContact O-N 3.1Å
416	P	88.1	Confident	91.6	Very high	80 Å²	80	36.1 Å²	36.1	52%	0.519	22%	0.215	S	C	.	.	H	α-helix	trans	-54.9	-34.1	178.2	-26.2	34.9	0	0	0	112.7	N414 A419 H420	N414-P416 VanDerWaalsContact O-CD 3.29Å; N414-P416 WeakPolarHBondContact O-CD 3.47Å; N414-P416 VanDerWaalsContact O-N 3.15Å; P416-A419 PolarHBondContact O-N 3.45Å; P416-H420 PolarHBondContact O-CD2 3.25Å; P416-H420 PolarHBondContact O-N 3.04Å
417	V	89.5	Confident	91.1	Very high	22 Å²	22	38.2 Å²	38.2	13%	0.133	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-46.3	178.2	-179.6	0	0	0	0	110.1	T185 Y186 D415 A419 H420 L421	T185-V417 WeakPolarHBondContact O-CG2 3.41Å; Y186-V417 HydrophobicContact CD1-CG1 4.39Å; Y186-V417 HydrophobicContact CD1-CG2 4.32Å; D415-V417 PolarHBondContact O-N 3.33Å; D415-V417 VanDerWaalsContact O-N 3.17Å; D415-V417 PolarHBondContact OD1-N 2.87Å; V417-A419 VanDerWaalsContact C-N 3.28Å; V417-A419 PolarHBondContact O-N 2.76Å; V417-H420 PolarHBondContact O-N 2.77Å; V417-L421 HydrophobicContact CG1-CD1 3.76Å; V417-L421 HydrophobicContact CG1-CG 4.14Å; V417-L421 VanDerWaalsContact O-CG 3.24Å; V417-L421 WeakPolarHBondContact O-CG 3.37Å; V417-L421 PolarHBondContact O-N 2.97Å
418	L	89.4	Confident	90.3	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-54	-46.6	174.7	-165.1	90.8	0	0	0	110.9	L204 Q208 I211 D415 H420 L421 S422	L204-L418 HydrophobicContact CD1-CD1 3.34Å; L204-L418 HydrophobicContact CD1-CG 4.09Å; Q208-L418 HydrophobicContact CG-CD1 4.13Å; I211-L418 HydrophobicContact CD1-CD1 4.5Å; I211-L418 HydrophobicContact CD1-CD2 4.19Å; D415-L418 HydrophobicContact CB-CB 3.92Å; D415-L418 WeakPolarHBondContact O-CB 3.4Å; D415-L418 PolarHBondContact O-N 2.96Å; L418-H420 PolarHBondContact O-N 3.16Å; L418-L421 PolarHBondContact O-N 3.36Å; L418-S422 WeakPolarHBondContact O-CB 3.5Å; L418-S422 PolarHBondContact O-N 3.12Å; L418-S422 PolarHBondContact O-OG 2.61Å
419	A	88.6	Confident	89.7	Confident	62 Å²	62	38.1 Å²	38.1	51%	0.512	25%	0.245	S	C	.	.	H	α-helix	trans	-61.5	-44.5	178.6	0	0	0	0	0	112.9	D415 P416 V417 S422 E423	D415-A419 PolarHBondContact O-N 2.95Å; D415-A419 VanDerWaalsContact O-N 3.1Å; P416-A419 PolarHBondContact O-N 3.45Å; V417-A419 VanDerWaalsContact C-N 3.28Å; V417-A419 PolarHBondContact O-N 2.76Å; A419-S422 PolarHBondContact O-N 2.88Å; A419-E423 PolarHBondContact O-N 2.6Å
420	H	90.1	Very high	89.3	Confident	44 Å²	44	40.9 Å²	40.9	20%	0.204	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-41	176.3	-76.2	-59.2	0	0	0	112.5	Y186 P416 V417 L418 E423 L424 Y430 L434	Y186-H420 HydrophobicContact CE1-CB 4.01Å; Y186-H420 AromaticContact CE1-CD2 3.66Å; Y186-H420 AromaticContact CE1-CG 3.91Å; Y186-H420 AromaticContact CZ-CD2 3.96Å; Y186-H420 PolarHBondContact OH-CD2 3.01Å; Y186-H420 PolarHBondContact OH-NE2 3.07Å; P416-H420 PolarHBondContact O-CD2 3.25Å; P416-H420 PolarHBondContact O-N 3.04Å; V417-H420 PolarHBondContact O-N 2.77Å; L418-H420 PolarHBondContact O-N 3.16Å; H420-E423 PolarHBondContact O-N 3.49Å; H420-L424 PolarHBondContact O-N 3.06Å; H420-L424 VanDerWaalsContact O-N 3.12Å; H420-Y430 HydrophobicContact CB-CE1 4.41Å; H420-Y430 PolarHBondContact CE1-OH 3.06Å; H420-Y430 VanDerWaalsContact CE1-OH 3.26Å; H420-Y430 AromaticContact ND1-CE1 3.91Å; H420-Y430 AromaticContact ND1-CZ 3.69Å; H420-Y430 PolarHBondContact ND1-OH 3.48Å; H420-Y430 WeakPolarHBondContact O-CE1 3.49Å; H420-L434 HydrophobicContact CB-CD2 4.4Å
421	L	89.1	Confident	88.9	Confident	10 Å²	10	40 Å²	40	5%	0.052	25%	0.251	C	S	.	.	H	α-helix	trans	-72.4	-33.8	179.2	-62.4	174.7	0	0	0	112.3	L200 A201 L204 V417 L418 E423 L424 K425	L200-L421 HydrophobicContact CB-CD1 3.93Å; L200-L421 HydrophobicContact CB-CD2 3.74Å; L200-L421 HydrophobicContact CB-CG 4.49Å; A201-L421 HydrophobicContact CB-CD2 4.2Å; L204-L421 HydrophobicContact CD1-CB 4.1Å; L204-L421 HydrophobicContact CD1-CD1 4.14Å; L204-L421 HydrophobicContact CD2-CB 3.82Å; L204-L421 HydrophobicContact CG-CB 4.44Å; V417-L421 HydrophobicContact CG1-CD1 3.76Å; V417-L421 HydrophobicContact CG1-CG 4.14Å; V417-L421 VanDerWaalsContact O-CG 3.24Å; V417-L421 WeakPolarHBondContact O-CG 3.37Å; V417-L421 PolarHBondContact O-N 2.97Å; L418-L421 PolarHBondContact O-N 3.36Å; L421-E423 VanDerWaalsContact C-N 3.34Å; L421-L424 WeakPolarHBondContact O-CB 3.32Å; L421-L424 PolarHBondContact O-N 3.16Å; L421-K425 PolarHBondContact O-N 3.45Å
422	S	88	Confident	88.6	Confident	14 Å²	14	41.1 Å²	41.1	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-64.1	-40.8	171.1	-61.9	0	0	0	0	111.3	D347 L418 A419 L424 K425 S426	D347-S422 PolarHBondContact OD1-OG 3.28Å; D347-S422 VanDerWaalsContact OD1-OG 3.1Å; L418-S422 WeakPolarHBondContact O-CB 3.5Å; L418-S422 PolarHBondContact O-N 3.12Å; L418-S422 PolarHBondContact O-OG 2.61Å; A419-S422 PolarHBondContact O-N 2.88Å; S422-L424 VanDerWaalsContact C-N 3.28Å; S422-L424 PolarHBondContact O-N 3.19Å; S422-K425 WeakPolarHBondContact O-CB 3.32Å; S422-K425 PolarHBondContact O-N 2.92Å; S422-K425 VanDerWaalsContact O-N 3.14Å; S422-S426 PolarHBondContact O-N 3.23Å
423	E	89.4	Confident	88.4	Confident	37 Å²	37	44.1 Å²	44.1	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-31.9	177.7	-167.7	61.7	-136.7	0	0	112.4	R349 A419 H420 L421 K425 S426 S427 Y430	R349-E423 IonicContact CZ-OE2 2.65Å; R349-E423 IonicContact NE-OE2 2.91Å; R349-E423 IonicContact NH2-OE1 2.91Å; R349-E423 IonicContact NH2-OE2 3.34Å; R349-E423 PolarHBondContact NH2-OE2 2.97Å; A419-E423 PolarHBondContact O-N 2.6Å; H420-E423 PolarHBondContact O-N 3.49Å; L421-E423 VanDerWaalsContact C-N 3.34Å; E423-K425 VanDerWaalsContact C-N 3.25Å; E423-K425 PolarHBondContact O-N 3.43Å; E423-S426 WeakPolarHBondContact CA-OG 3.45Å; E423-S426 PolarHBondContact O-N 3.42Å; E423-S426 VanDerWaalsContact O-N 3.17Å; E423-S426 PolarHBondContact O-OG 3.04Å; E423-S426 VanDerWaalsContact O-OG 3.05Å; E423-S426 PolarHBondContact OE1-OG 3.44Å; E423-S427 PolarHBondContact O-N 3.48Å; E423-S427 WeakPolarHBondContact OE1-CB 3.44Å; E423-S427 PolarHBondContact OE1-OG 3.24Å; E423-Y430 HydrophobicContact CB-CD1 3.84Å; E423-Y430 HydrophobicContact CB-CD2 4.48Å; E423-Y430 HydrophobicContact CB-CE1 3.76Å; E423-Y430 HydrophobicContact CB-CE2 4.41Å; E423-Y430 HydrophobicContact CB-CG 4.2Å; E423-Y430 HydrophobicContact CG-CD1 3.83Å; E423-Y430 HydrophobicContact CG-CD2 3.6Å; E423-Y430 HydrophobicContact CG-CE1 3.93Å; E423-Y430 HydrophobicContact CG-CE2 3.7Å; E423-Y430 HydrophobicContact CG-CG 3.65Å
424	L	88	Confident	88.3	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-35.4	173.1	-168.4	69.9	0	0	0	112.6	L198 A201 H420 L421 S422 L431	L198-L424 HydrophobicContact CD2-CD2 3.94Å; A201-L424 HydrophobicContact CB-CD2 3.5Å; H420-L424 PolarHBondContact O-N 3.06Å; H420-L424 VanDerWaalsContact O-N 3.12Å; L421-L424 WeakPolarHBondContact O-CB 3.32Å; L421-L424 PolarHBondContact O-N 3.16Å; S422-L424 VanDerWaalsContact C-N 3.28Å; S422-L424 PolarHBondContact O-N 3.19Å; L424-L431 HydrophobicContact CD1-CB 3.47Å; L424-L431 VanDerWaalsContact CD1-CB 3.47Å; L424-L431 HydrophobicContact CD1-CD1 3.79Å; L424-L431 HydrophobicContact CD1-CG 4.15Å
425	K	84.9	Confident	88.3	Confident	34 Å²	34	40.7 Å²	40.7	15%	0.148	24%	0.24	C	C	.	.	H	α-helix	trans	-77.2	-25.5	177.1	-68.5	179.8	174.2	176.5	0	113	L204 L343 D347 L421 S422 E423	L204-K425 HydrophobicContact CD2-CD 4.14Å; L343-K425 HydrophobicContact CD2-CB 4.21Å; D347-K425 IonicContact OD1-NZ 3.82Å; D347-K425 IonicContact OD2-NZ 2.77Å; D347-K425 PolarHBondContact OD2-NZ 3.01Å; L421-K425 PolarHBondContact O-N 3.45Å; S422-K425 WeakPolarHBondContact O-CB 3.32Å; S422-K425 PolarHBondContact O-N 2.92Å; S422-K425 VanDerWaalsContact O-N 3.14Å; E423-K425 VanDerWaalsContact C-N 3.25Å; E423-K425 PolarHBondContact O-N 3.43Å
426	S	86.1	Confident	88.3	Confident	35 Å²	35	42.2 Å²	42.2	25%	0.245	24%	0.243	C	C	.	.	H	α-helix	trans	-90.9	-30.9	-178.1	57.6	0	0	0	0	114.1	S422 E423	S422-S426 PolarHBondContact O-N 3.23Å; E423-S426 WeakPolarHBondContact CA-OG 3.45Å; E423-S426 PolarHBondContact O-N 3.42Å; E423-S426 VanDerWaalsContact O-N 3.17Å; E423-S426 PolarHBondContact O-OG 3.04Å; E423-S426 VanDerWaalsContact O-OG 3.05Å; E423-S426 PolarHBondContact OE1-OG 3.44Å
427	S	87	Confident	88.5	Confident	43 Å²	43	43.2 Å²	43.2	30%	0.301	24%	0.239	S	C	.	.			trans	-128.7	117.6	-167.6	-67.1	0	0	0	0	112.5	V276 E423 G429 Y430	V276-S427 VanDerWaalsContact CG2-C 3.46Å; E423-S427 PolarHBondContact O-N 3.48Å; E423-S427 WeakPolarHBondContact OE1-CB 3.44Å; E423-S427 PolarHBondContact OE1-OG 3.24Å; S427-G429 VanDerWaalsContact C-N 3.33Å; S427-G429 PolarHBondContact O-N 3.27Å; S427-Y430 WeakPolarHBondContact O-CB 3.23Å; S427-Y430 PolarHBondContact O-N 3.04Å
428	S	81	Confident	88.7	Confident	82 Å²	82	42.1 Å²	42.1	57%	0.573	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-27	-171.7	59.7	0	0	0	0	114.6	V276 L281	V276-S428 VanDerWaalsContact CG2-N 3.3Å; L281-S428 VanDerWaalsContact CD2-O 3.3Å; L281-S428 WeakPolarHBondContact CD2-O 3.31Å
429	G	83.9	Confident	88.9	Confident	41 Å²	41	43.2 Å²	43.2	42%	0.423	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.8	177.5	0	0	0	0	0	114.5	S427 L431 E432 E433	S427-G429 VanDerWaalsContact C-N 3.33Å; S427-G429 PolarHBondContact O-N 3.27Å; G429-L431 PolarHBondContact O-N 3.27Å; G429-E432 PolarHBondContact O-N 3.11Å; G429-E433 PolarHBondContact O-N 2.95Å
430	Y	89.4	Confident	89.1	Confident	59 Å²	59	41.6 Å²	41.6	23%	0.231	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-33	-171.9	-164.8	-107.8	0	0	0	112.9	H420 E423 S427 E432 E433 L434	H420-Y430 HydrophobicContact CB-CE1 4.41Å; H420-Y430 PolarHBondContact CE1-OH 3.06Å; H420-Y430 VanDerWaalsContact CE1-OH 3.26Å; H420-Y430 AromaticContact ND1-CE1 3.91Å; H420-Y430 AromaticContact ND1-CZ 3.69Å; H420-Y430 PolarHBondContact ND1-OH 3.48Å; H420-Y430 WeakPolarHBondContact O-CE1 3.49Å; E423-Y430 HydrophobicContact CB-CD1 3.84Å; E423-Y430 HydrophobicContact CB-CD2 4.48Å; E423-Y430 HydrophobicContact CB-CE1 3.76Å; E423-Y430 HydrophobicContact CB-CE2 4.41Å; E423-Y430 HydrophobicContact CB-CG 4.2Å; E423-Y430 HydrophobicContact CG-CD1 3.83Å; E423-Y430 HydrophobicContact CG-CD2 3.6Å; E423-Y430 HydrophobicContact CG-CE1 3.93Å; E423-Y430 HydrophobicContact CG-CE2 3.7Å; E423-Y430 HydrophobicContact CG-CG 3.65Å; S427-Y430 WeakPolarHBondContact O-CB 3.23Å; S427-Y430 PolarHBondContact O-N 3.04Å; Y430-E432 VanDerWaalsContact C-N 3.31Å; Y430-E432 PolarHBondContact O-N 2.72Å; Y430-E433 PolarHBondContact O-N 3.33Å; Y430-L434 HydrophobicContact CE1-CB 4.41Å; Y430-L434 HydrophobicContact CE1-CD2 4.18Å; Y430-L434 VanDerWaalsContact O-CB 3.26Å; Y430-L434 WeakPolarHBondContact O-CB 3.23Å; Y430-L434 PolarHBondContact O-N 3.49Å
431	L	89.3	Confident	89.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58	-47.5	175.2	-173.4	58.9	0	0	0	111.1	L197 L198 L281 L283 L424 G429 T435	L197-L431 HydrophobicContact CB-CD1 4.04Å; L197-L431 HydrophobicContact CD1-CD1 4.15Å; L198-L431 HydrophobicContact CD1-CD2 4.08Å; L198-L431 HydrophobicContact CD2-CD1 4.24Å; L198-L431 HydrophobicContact CD2-CD2 3.79Å; L198-L431 HydrophobicContact CG-CD1 4.37Å; L198-L431 HydrophobicContact CG-CD2 3.99Å; L281-L431 HydrophobicContact CB-CD2 3.75Å; L281-L431 HydrophobicContact CD1-CB 4.29Å; L281-L431 HydrophobicContact CD1-CD2 4.04Å; L281-L431 HydrophobicContact CG-CD2 4.4Å; L283-L431 HydrophobicContact CD1-CD2 4.21Å; L283-L431 HydrophobicContact CD1-CG 4.37Å; L283-L431 HydrophobicContact CG-CD2 4.31Å; L424-L431 HydrophobicContact CD1-CB 3.47Å; L424-L431 VanDerWaalsContact CD1-CB 3.47Å; L424-L431 HydrophobicContact CD1-CD1 3.79Å; L424-L431 HydrophobicContact CD1-CG 4.15Å; G429-L431 PolarHBondContact O-N 3.27Å; L431-T435 WeakPolarHBondContact O-CB 3.5Å; L431-T435 PolarHBondContact O-N 3.15Å; L431-T435 PolarHBondContact O-OG1 2.86Å
432	E	88.4	Confident	89.4	Confident	85 Å²	85	42.9 Å²	42.9	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-64	-46.4	-178.5	-70.9	179.3	-160.8	0	0	110.8	L283 G429 Y430 T435 K436	L283-E432 HydrophobicContact CD2-CG 3.42Å; L283-E432 VanDerWaalsContact CD2-CG 3.42Å; G429-E432 PolarHBondContact O-N 3.11Å; Y430-E432 VanDerWaalsContact C-N 3.31Å; Y430-E432 PolarHBondContact O-N 2.72Å; E432-T435 PolarHBondContact O-N 3.06Å; E432-K436 VanDerWaalsContact O-CB 3.25Å; E432-K436 WeakPolarHBondContact O-CB 3.27Å; E432-K436 WeakPolarHBondContact O-CG 3.16Å; E432-K436 PolarHBondContact O-N 2.61Å; E432-K436 IonicContact OE2-NZ 2.73Å
433	E	90.3	Very high	89.5	Confident	116 Å²	116	44.5 Å²	44.5	54%	0.542	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-45.3	180	-174.1	55	-147.6	0	0	111.5	G429 Y430 K436 K437	G429-E433 PolarHBondContact O-N 2.95Å; Y430-E433 PolarHBondContact O-N 3.33Å; E433-K436 PolarHBondContact O-N 2.73Å; E433-K437 WeakPolarHBondContact O-CB 3.4Å; E433-K437 PolarHBondContact O-N 3.09Å
434	L	91.1	Very high	89.6	Confident	9 Å²	9	48 Å²	48	5%	0.047	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-42.9	177.8	-178.4	56.3	0	0	0	111.5	Y186 L197 H420 Y430 K437 I438	Y186-L434 HydrophobicContact CE1-CD1 4.44Å; Y186-L434 HydrophobicContact CE1-CD2 4.26Å; Y186-L434 HydrophobicContact CE2-CD1 4.4Å; Y186-L434 WeakPolarHBondContact OH-CD1 3.26Å; L197-L434 HydrophobicContact CD1-CD2 3.9Å; L197-L434 HydrophobicContact CD1-CG 3.99Å; L197-L434 HydrophobicContact CD2-CD2 4.16Å; H420-L434 HydrophobicContact CB-CD2 4.4Å; Y430-L434 HydrophobicContact CE1-CB 4.41Å; Y430-L434 HydrophobicContact CE1-CD2 4.18Å; Y430-L434 VanDerWaalsContact O-CB 3.26Å; Y430-L434 WeakPolarHBondContact O-CB 3.23Å; Y430-L434 PolarHBondContact O-N 3.49Å; L434-K437 WeakPolarHBondContact O-CB 3.46Å; L434-K437 PolarHBondContact O-N 3.38Å; L434-I438 HydrophobicContact CD1-CD1 4.03Å; L434-I438 HydrophobicContact CD1-CG1 4.31Å; L434-I438 HydrophobicContact CG-CD1 4.01Å; L434-I438 VanDerWaalsContact O-CG1 3.29Å; L434-I438 WeakPolarHBondContact O-CG1 3.43Å; L434-I438 PolarHBondContact O-N 2.94Å
435	T	91.6	Very high	89.8	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-48.3	174.3	-62	0	0	0	0	110.5	V193 P194 L431 E432 K437 I438 C439	V193-T435 HydrophobicContact CG1-CG2 4.36Å; P194-T435 HydrophobicContact CG-CG2 3.67Å; L431-T435 WeakPolarHBondContact O-CB 3.5Å; L431-T435 PolarHBondContact O-N 3.15Å; L431-T435 PolarHBondContact O-OG1 2.86Å; E432-T435 PolarHBondContact O-N 3.06Å; T435-K437 VanDerWaalsContact C-N 3.31Å; T435-K437 PolarHBondContact O-N 3.47Å; T435-I438 PolarHBondContact O-N 3.44Å; T435-C439 VanDerWaalsContact O-CB 3.24Å; T435-C439 WeakPolarHBondContact O-CB 3.33Å; T435-C439 PolarHBondContact O-N 2.97Å; T435-C439 PolarHBondContact O-SG 3.46Å; T435-C439 VanDerWaalsContact O-SG 3.42Å
436	K	91.9	Very high	90.2	Very high	98 Å²	98	49.5 Å²	49.5	43%	0.426	26%	0.264	S	S	.	.	H	α-helix	trans	-57.9	-45.3	177.3	-78.5	168.8	-176.2	167.4	0	110.6	E432 E433 S440	E432-K436 VanDerWaalsContact O-CB 3.25Å; E432-K436 WeakPolarHBondContact O-CB 3.27Å; E432-K436 WeakPolarHBondContact O-CG 3.16Å; E432-K436 PolarHBondContact O-N 2.61Å; E432-K436 IonicContact OE2-NZ 2.73Å; E433-K436 PolarHBondContact O-N 2.73Å; K436-S440 WeakPolarHBondContact O-CA 3.25Å; K436-S440 WeakPolarHBondContact O-CB 3.43Å; K436-S440 PolarHBondContact O-N 3.46Å
437	K	92.2	Very high	90.4	Very high	100 Å²	100	54.1 Å²	54.1	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-57.4	-52.5	176.2	-175.2	-170.2	175	-142.4	0	111.4	E182 E433 L434 T435 S440	E182-K437 IonicContact OE1-NZ 3.09Å; E182-K437 PolarHBondContact OE1-NZ 3.37Å; E433-K437 WeakPolarHBondContact O-CB 3.4Å; E433-K437 PolarHBondContact O-N 3.09Å; L434-K437 WeakPolarHBondContact O-CB 3.46Å; L434-K437 PolarHBondContact O-N 3.38Å; T435-K437 VanDerWaalsContact C-N 3.31Å; T435-K437 PolarHBondContact O-N 3.47Å; K437-S440 WeakPolarHBondContact O-CB 3.47Å; K437-S440 PolarHBondContact O-N 2.89Å; K437-S440 PolarHBondContact O-OG 3.33Å
438	I	92.5	Very high	90.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-53.8	-178.8	-63.3	167	0	0	0	110.3	F179 E182 Y186 V193 L197 L434 T435 S440 H441	F179-I438 HydrophobicContact CD2-CG2 4.13Å; F179-I438 WeakPolarHBondContact CD2-O 3.27Å; F179-I438 HydrophobicContact CE2-CG2 3.77Å; E182-I438 HydrophobicContact CG-CB 4.38Å; E182-I438 HydrophobicContact CG-CG1 3.73Å; E182-I438 HydrophobicContact CG-CG2 4.41Å; Y186-I438 HydrophobicContact CD2-CD1 3.92Å; Y186-I438 HydrophobicContact CE2-CD1 3.77Å; Y186-I438 HydrophobicContact CE2-CG1 4.18Å; V193-I438 HydrophobicContact CG1-CB 4.12Å; V193-I438 HydrophobicContact CG1-CD1 3.75Å; V193-I438 HydrophobicContact CG1-CG2 4.03Å; V193-I438 HydrophobicContact CG2-CG2 3.97Å; L197-I438 HydrophobicContact CD1-CD1 4.06Å; L434-I438 HydrophobicContact CD1-CD1 4.03Å; L434-I438 HydrophobicContact CD1-CG1 4.31Å; L434-I438 HydrophobicContact CG-CD1 4.01Å; L434-I438 VanDerWaalsContact O-CG1 3.29Å; L434-I438 WeakPolarHBondContact O-CG1 3.43Å; L434-I438 PolarHBondContact O-N 2.94Å; T435-I438 PolarHBondContact O-N 3.44Å; I438-S440 VanDerWaalsContact C-N 3.25Å; I438-S440 PolarHBondContact O-N 3.24Å; I438-H441 PolarHBondContact O-N 2.86Å
439	C	93.4	Very high	91.2	Very high	30 Å²	30	53.6 Å²	53.6	20%	0.203	26%	0.255	C	S	.	.	H	α-helix	trans	-69.8	-17.5	-177.4	-65.2	0	0	0	0	113.6	T435 H441 N442 V443	T435-C439 VanDerWaalsContact O-CB 3.24Å; T435-C439 WeakPolarHBondContact O-CB 3.33Å; T435-C439 PolarHBondContact O-N 2.97Å; T435-C439 PolarHBondContact O-SG 3.46Å; T435-C439 VanDerWaalsContact O-SG 3.42Å; C439-H441 PolarHBondContact O-N 3.4Å; C439-H441 VanDerWaalsContact O-N 3.09Å; C439-N442 PolarHBondContact O-N 2.84Å; C439-V443 PolarHBondContact O-N 3.36Å
440	S	93.5	Very high	91.7	Very high	29 Å²	29	56 Å²	56	20%	0.203	26%	0.256	C	S	.	.	H	α-helix	trans	-55.8	-30	177	71.6	0	0	0	0	112.3	K436 K437 I438 R444	K436-S440 WeakPolarHBondContact O-CA 3.25Å; K436-S440 WeakPolarHBondContact O-CB 3.43Å; K436-S440 PolarHBondContact O-N 3.46Å; K437-S440 WeakPolarHBondContact O-CB 3.47Å; K437-S440 PolarHBondContact O-N 2.89Å; K437-S440 PolarHBondContact O-OG 3.33Å; I438-S440 VanDerWaalsContact C-N 3.25Å; I438-S440 PolarHBondContact O-N 3.24Å; S440-R444 VanDerWaalsContact O-CG 3.32Å; S440-R444 WeakPolarHBondContact O-CG 3.21Å; S440-R444 PolarHBondContact O-N 3Å; S440-R444 PolarHBondContact O-NH1 2.98Å; S440-R444 PolarHBondContact OG-NH1 3.26Å
441	H	92.9	Very high	91.6	Very high	31 Å²	31	54.4 Å²	54.4	14%	0.144	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-42.2	175.1	-68.3	-63.6	0	0	0	112	S175 F179 I438 C439 R444 A445	S175-H441 WeakPolarHBondContact CB-O 3.42Å; F179-H441 HydrophobicContact CB-CB 3.74Å; F179-H441 HydrophobicContact CD2-CB 4.44Å; I438-H441 PolarHBondContact O-N 2.86Å; C439-H441 PolarHBondContact O-N 3.4Å; C439-H441 VanDerWaalsContact O-N 3.09Å; H441-R444 PolarHBondContact ND1-NH1 2.88Å; H441-R444 PolarHBondContact O-N 2.93Å; H441-A445 PolarHBondContact O-N 3.23Å; H441-A445 VanDerWaalsContact O-N 3.09Å
442	N	92	Very high	91.6	Very high	49 Å²	49	55.2 Å²	55.2	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-65.8	-43.4	174.5	-71.9	-20.7	0	0	0	111.2	F179 C439 R444 A445 D446	F179-N442 WeakPolarHBondContact CD2-ND2 3.32Å; F179-N442 WeakPolarHBondContact CE1-ND2 3.43Å; F179-N442 WeakPolarHBondContact CE2-ND2 3.37Å; F179-N442 WeakPolarHBondContact CG-OD1 3.48Å; F179-N442 WeakPolarHBondContact CZ-ND2 3.48Å; C439-N442 PolarHBondContact O-N 2.84Å; N442-R444 VanDerWaalsContact C-N 3.29Å; N442-R444 PolarHBondContact O-N 3.18Å; N442-A445 CarbonylContact O-C 3.36Å; N442-A445 WeakPolarHBondContact O-CA 3.4Å; N442-A445 WeakPolarHBondContact O-CB 3.28Å; N442-A445 PolarHBondContact O-N 2.8Å; N442-D446 PolarHBondContact O-N 2.87Å
443	V	91.8	Very high	91.7	Very high	48 Å²	48	54 Å²	54	29%	0.291	26%	0.26	S	S	.	.	H	α-helix	trans	-57.4	-42.3	176.2	176.6	0	0	0	0	111.4	C439 A445 D446 R447	C439-V443 PolarHBondContact O-N 3.36Å; V443-A445 VanDerWaalsContact C-N 3.34Å; V443-A445 PolarHBondContact O-N 2.84Å; V443-D446 PolarHBondContact O-N 3.33Å; V443-R447 WeakPolarHBondContact O-CG 3.28Å; V443-R447 PolarHBondContact O-N 3.41Å
444	R	90.2	Very high	91.6	Very high	112 Å²	112	49.5 Å²	49.5	42%	0.423	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-38.4	174.6	-73	-179.1	-160.7	94.7	-1.8	112.5	Q171 S440 H441 N442 A448	Q171-R444 PolarHBondContact NE2-O 3.3Å; S440-R444 VanDerWaalsContact O-CG 3.32Å; S440-R444 WeakPolarHBondContact O-CG 3.21Å; S440-R444 PolarHBondContact O-N 3Å; S440-R444 PolarHBondContact O-NH1 2.98Å; S440-R444 PolarHBondContact OG-NH1 3.26Å; H441-R444 PolarHBondContact ND1-NH1 2.88Å; H441-R444 PolarHBondContact O-N 2.93Å; N442-R444 VanDerWaalsContact C-N 3.29Å; N442-R444 PolarHBondContact O-N 3.18Å; R444-A448 WeakPolarHBondContact O-CB 3.31Å; R444-A448 PolarHBondContact O-N 2.87Å
445	A	93	Very high	91.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-42	175.8	0	0	0	0	0	111.7	I172 H441 N442 V443 A448 R449	I172-A445 HydrophobicContact CG2-CB 4.46Å; H441-A445 PolarHBondContact O-N 3.23Å; H441-A445 VanDerWaalsContact O-N 3.09Å; N442-A445 CarbonylContact O-C 3.36Å; N442-A445 WeakPolarHBondContact O-CA 3.4Å; N442-A445 WeakPolarHBondContact O-CB 3.28Å; N442-A445 PolarHBondContact O-N 2.8Å; V443-A445 VanDerWaalsContact C-N 3.34Å; V443-A445 PolarHBondContact O-N 2.84Å; A445-A448 PolarHBondContact O-N 3.11Å; A445-R449 WeakPolarHBondContact O-CG 3.42Å; A445-R449 PolarHBondContact O-N 2.85Å
446	D	92.6	Very high	90.9	Very high	69 Å²	69	55.1 Å²	55.1	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-44.6	178.6	-71.6	-35.7	0	0	0	112.1	N442 V443 A448 R449 Q450	N442-D446 PolarHBondContact O-N 2.87Å; V443-D446 PolarHBondContact O-N 3.33Å; D446-A448 VanDerWaalsContact C-N 3.29Å; D446-A448 PolarHBondContact O-N 2.97Å; D446-R449 WeakPolarHBondContact O-CB 3.37Å; D446-R449 PolarHBondContact O-N 2.77Å; D446-R449 VanDerWaalsContact O-N 3.09Å; D446-R449 IonicContact OD1-CZ 3.63Å; D446-R449 IonicContact OD1-NH1 2.77Å; D446-R449 PolarHBondContact OD1-NH1 3.28Å; D446-Q450 WeakPolarHBondContact O-CG 3.33Å; D446-Q450 PolarHBondContact O-N 2.91Å
447	R	91.4	Very high	90.7	Very high	131 Å²	131	56.1 Å²	56.1	49%	0.494	27%	0.274	S	S	.	.	H	α-helix	trans	-58.4	-41.3	173.6	-73.1	178.4	179.1	-174.2	-3.1	112.1	V443 Q450 T451	V443-R447 WeakPolarHBondContact O-CG 3.28Å; V443-R447 PolarHBondContact O-N 3.41Å; R447-Q450 PolarHBondContact O-N 3.03Å; R447-T451 WeakPolarHBondContact O-CB 3.2Å; R447-T451 PolarHBondContact O-N 2.86Å; R447-T451 PolarHBondContact O-OG1 2.73Å
448	A	91.5	Very high	90.3	Very high	3 Å²	3	56.3 Å²	56.3	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-38.7	175.6	0	0	0	0	0	112	C168 Q171 I172 R444 A445 D446 T451 I452	C168-A448 HydrophobicContact CB-CB 4.25Å; Q171-A448 HydrophobicContact CG-CB 4.43Å; I172-A448 HydrophobicContact CD1-CB 4.08Å; I172-A448 HydrophobicContact CG1-CB 3.62Å; R444-A448 WeakPolarHBondContact O-CB 3.31Å; R444-A448 PolarHBondContact O-N 2.87Å; A445-A448 PolarHBondContact O-N 3.11Å; D446-A448 VanDerWaalsContact C-N 3.29Å; D446-A448 PolarHBondContact O-N 2.97Å; A448-T451 WeakPolarHBondContact O-CB 3.42Å; A448-T451 PolarHBondContact O-N 3.5Å; A448-I452 WeakPolarHBondContact O-CG1 3.3Å; A448-I452 PolarHBondContact O-N 3.08Å
449	R	93.4	Very high	89.8	Confident	112 Å²	112	58.3 Å²	58.3	42%	0.423	28%	0.281	S	S	.	.	H	α-helix	trans	-63.3	-45.2	173.6	-70.2	172.7	-170.1	127.6	3.6	112.1	I172 A445 D446 T451 I452 A453	I172-R449 HydrophobicContact CD1-CB 4.45Å; I172-R449 HydrophobicContact CD1-CG 3.57Å; I172-R449 HydrophobicContact CG1-CG 4.14Å; A445-R449 WeakPolarHBondContact O-CG 3.42Å; A445-R449 PolarHBondContact O-N 2.85Å; D446-R449 WeakPolarHBondContact O-CB 3.37Å; D446-R449 PolarHBondContact O-N 2.77Å; D446-R449 VanDerWaalsContact O-N 3.09Å; D446-R449 IonicContact OD1-CZ 3.63Å; D446-R449 IonicContact OD1-NH1 2.77Å; D446-R449 PolarHBondContact OD1-NH1 3.28Å; R449-T451 VanDerWaalsContact C-N 3.29Å; R449-T451 PolarHBondContact O-N 3.44Å; R449-I452 PolarHBondContact O-N 3.32Å; R449-A453 PolarHBondContact O-N 3.5Å
450	Q	92.7	Very high	89.3	Confident	92 Å²	92	59.6 Å²	59.6	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-41.7	176.2	-70	172.7	-1.6	0	0	111	I293 D446 R447 I452 A453 A454	I293-Q450 HydrophobicContact CD1-CB 3.89Å; D446-Q450 WeakPolarHBondContact O-CG 3.33Å; D446-Q450 PolarHBondContact O-N 2.91Å; R447-Q450 PolarHBondContact O-N 3.03Å; Q450-I452 PolarHBondContact O-N 3.03Å; Q450-A453 PolarHBondContact O-N 3.24Å; Q450-A454 WeakPolarHBondContact O-CB 3.47Å; Q450-A454 PolarHBondContact O-N 2.86Å
451	T	89.1	Confident	89	Confident	25 Å²	25	62.2 Å²	62.2	15%	0.153	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-45.8	175.5	-57.3	0	0	0	0	111.4	R447 A448 R449 A453 A454 L455	R447-T451 WeakPolarHBondContact O-CB 3.2Å; R447-T451 PolarHBondContact O-N 2.86Å; R447-T451 PolarHBondContact O-OG1 2.73Å; A448-T451 WeakPolarHBondContact O-CB 3.42Å; A448-T451 PolarHBondContact O-N 3.5Å; R449-T451 VanDerWaalsContact C-N 3.29Å; R449-T451 PolarHBondContact O-N 3.44Å; T451-A453 PolarHBondContact O-N 3.42Å; T451-A454 PolarHBondContact O-N 3.36Å; T451-L455 HydrophobicContact CG2-CD1 4.07Å; T451-L455 HydrophobicContact CG2-CG 4.44Å; T451-L455 WeakPolarHBondContact O-CB 3.35Å; T451-L455 VanDerWaalsContact O-CG 3.24Å; T451-L455 WeakPolarHBondContact O-CG 3.46Å; T451-L455 PolarHBondContact O-N 3.38Å
452	I	89	Confident	88.6	Confident	17 Å²	17	61.8 Å²	61.8	9%	0.087	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-47.2	175.9	-68.2	168.7	0	0	0	111	E165 C168 E169 I172 A448 R449 Q450 A454 L455 K456	E165-I452 HydrophobicContact CG-CG1 4.3Å; E165-I452 HydrophobicContact CG-CG2 4.15Å; C168-I452 HydrophobicContact CB-CD1 3.67Å; C168-I452 HydrophobicContact CB-CG1 3.54Å; E169-I452 HydrophobicContact CG-CD1 3.87Å; I172-I452 HydrophobicContact CD1-CD1 3.64Å; A448-I452 WeakPolarHBondContact O-CG1 3.3Å; A448-I452 PolarHBondContact O-N 3.08Å; R449-I452 PolarHBondContact O-N 3.32Å; Q450-I452 PolarHBondContact O-N 3.03Å; I452-A454 VanDerWaalsContact C-N 3.34Å; I452-A454 PolarHBondContact O-N 3.18Å; I452-L455 PolarHBondContact O-N 3.05Å; I452-K456 HydrophobicContact CG2-CD 4.12Å; I452-K456 WeakPolarHBondContact O-CG 3.32Å; I452-K456 PolarHBondContact O-N 2.9Å
453	A	90.2	Very high	88.3	Confident	58 Å²	58	60.2 Å²	60.2	48%	0.479	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-45.4	-179.4	0	0	0	0	0	111.6	R449 Q450 T451 K456 Q457	R449-A453 PolarHBondContact O-N 3.5Å; Q450-A453 PolarHBondContact O-N 3.24Å; T451-A453 PolarHBondContact O-N 3.42Å; A453-K456 PolarHBondContact O-N 2.84Å; A453-Q457 PolarHBondContact O-N 2.91Å
454	A	87.5	Confident	88	Confident	23 Å²	23	64.9 Å²	64.9	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-37	179	0	0	0	0	0	113	F295 Q450 T451 I452 K456 Q457 R458	F295-A454 HydrophobicContact CE1-CB 4.11Å; F295-A454 HydrophobicContact CE2-CB 4.47Å; F295-A454 HydrophobicContact CZ-CB 3.46Å; F295-A454 VanDerWaalsContact CZ-CB 3.46Å; Q450-A454 WeakPolarHBondContact O-CB 3.47Å; Q450-A454 PolarHBondContact O-N 2.86Å; T451-A454 PolarHBondContact O-N 3.36Å; I452-A454 VanDerWaalsContact C-N 3.34Å; I452-A454 PolarHBondContact O-N 3.18Å; A454-K456 VanDerWaalsContact C-N 3.34Å; A454-Q457 PolarHBondContact O-N 3.22Å; A454-R458 WeakPolarHBondContact O-CB 3.05Å; A454-R458 PolarHBondContact O-N 2.98Å
455	L	84.7	Confident	88	Confident	23 Å²	23	63.9 Å²	63.9	12%	0.12	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-43.2	172.2	-73.4	171.3	0	0	0	111.5	K164 F295 T451 I452 R458 H459	K164-L455 HydrophobicContact CB-CD1 4.17Å; K164-L455 HydrophobicContact CD-CD1 3.81Å; K164-L455 HydrophobicContact CD-CD2 4.26Å; K164-L455 HydrophobicContact CG-CD1 3.77Å; F295-L455 HydrophobicContact CE1-CD2 4.35Å; F295-L455 HydrophobicContact CE1-CG 4.47Å; T451-L455 HydrophobicContact CG2-CD1 4.07Å; T451-L455 HydrophobicContact CG2-CG 4.44Å; T451-L455 WeakPolarHBondContact O-CB 3.35Å; T451-L455 VanDerWaalsContact O-CG 3.24Å; T451-L455 WeakPolarHBondContact O-CG 3.46Å; T451-L455 PolarHBondContact O-N 3.38Å; I452-L455 PolarHBondContact O-N 3.05Å; L455-R458 PolarHBondContact O-N 2.91Å; L455-H459 WeakPolarHBondContact O-CB 3.24Å; L455-H459 PolarHBondContact O-N 3.24Å
456	K	84.6	Confident	87.7	Confident	107 Å²	107	63.9 Å²	63.9	47%	0.465	31%	0.313	S	S	.	.	H	α-helix	trans	-63.5	-44.2	176.8	-76	179.1	176.6	170.3	0	112.2	E165 I452 A453 A454 H459 A460	E165-K456 VanDerWaalsContact CD-CE 3.48Å; E165-K456 WeakPolarHBondContact OE1-CE 3.29Å; E165-K456 IonicContact OE1-NZ 3.95Å; E165-K456 PolarHBondContact OE1-NZ 3.15Å; I452-K456 HydrophobicContact CG2-CD 4.12Å; I452-K456 WeakPolarHBondContact O-CG 3.32Å; I452-K456 PolarHBondContact O-N 2.9Å; A453-K456 PolarHBondContact O-N 2.84Å; A454-K456 VanDerWaalsContact C-N 3.34Å; K456-H459 PolarHBondContact O-N 3.48Å; K456-A460 PolarHBondContact O-N 3.04Å
457	Q	86.8	Confident	87.5	Confident	120 Å²	120	63.4 Å²	63.4	56%	0.561	31%	0.313	S	S	*	.	H	α-helix	trans	-61	-51.4	176.2	-179.3	-178.3	-13	0	0	111.1	A453 A454 H459 A460 E461	A453-Q457 PolarHBondContact O-N 2.91Å; A454-Q457 PolarHBondContact O-N 3.22Å; Q457-H459 VanDerWaalsContact C-N 3.26Å; Q457-H459 PolarHBondContact O-N 3.29Å; Q457-A460 WeakPolarHBondContact O-CB 3.4Å; Q457-A460 PolarHBondContact O-N 2.83Å; Q457-E461 WeakPolarHBondContact CG-OE1 3.39Å; Q457-E461 PolarHBondContact NE2-OE1 3.44Å; Q457-E461 WeakPolarHBondContact O-CG 3.43Å; Q457-E461 PolarHBondContact O-N 3.2Å
458	R	83.6	Confident	87.5	Confident	103 Å²	103	59.2 Å²	59.2	39%	0.389	31%	0.306	S	S	.	.	H	α-helix	trans	-57.7	-40.1	178.6	-176.9	176	176.8	173.8	-1.1	111.9	A454 L455 E461 L462	A454-R458 WeakPolarHBondContact O-CB 3.05Å; A454-R458 PolarHBondContact O-N 2.98Å; L455-R458 PolarHBondContact O-N 2.91Å; R458-E461 PolarHBondContact O-N 3Å; R458-L462 HydrophobicContact CG-CD1 4.19Å; R458-L462 WeakPolarHBondContact O-CB 3.2Å; R458-L462 VanDerWaalsContact O-CG 3.26Å; R458-L462 WeakPolarHBondContact O-CG 3.48Å; R458-L462 PolarHBondContact O-N 3.31Å
459	H	81.6	Confident	87.5	Confident	43 Å²	43	59.6 Å²	59.6	20%	0.199	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-43.4	175.5	174.7	-83.2	0	0	0	112.2	C141 L455 K456 Q457 L462 C463	C141-H459 VanDerWaalsContact SG-CD2 3.57Å; L455-H459 WeakPolarHBondContact O-CB 3.24Å; L455-H459 PolarHBondContact O-N 3.24Å; K456-H459 PolarHBondContact O-N 3.48Å; Q457-H459 VanDerWaalsContact C-N 3.26Å; Q457-H459 PolarHBondContact O-N 3.29Å; H459-L462 PolarHBondContact O-N 3Å; H459-C463 PolarHBondContact CE1-SG 3.23Å; H459-C463 WeakPolarHBondContact O-CB 3.14Å; H459-C463 PolarHBondContact O-N 3.14Å; H459-C463 PolarHBondContact O-SG 2.98Å
460	A	84	Confident	87.3	Confident	56 Å²	56	55.9 Å²	55.9	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-61.3	-45.3	177.1	0	0	0	0	0	111.7	K456 Q457 L462 C463 E464	K456-A460 PolarHBondContact O-N 3.04Å; Q457-A460 WeakPolarHBondContact O-CB 3.4Å; Q457-A460 PolarHBondContact O-N 2.83Å; A460-L462 PolarHBondContact O-N 3.33Å; A460-C463 WeakPolarHBondContact O-CB 3.36Å; A460-C463 PolarHBondContact O-N 3Å; A460-E464 PolarHBondContact O-N 3.38Å
461	E	87.1	Confident	87.2	Confident	84 Å²	84	57.7 Å²	57.7	39%	0.393	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-42.6	177.2	-69.5	171	-172.7	0	0	112.3	Q457 R458 E464 Q465	Q457-E461 WeakPolarHBondContact CG-OE1 3.39Å; Q457-E461 PolarHBondContact NE2-OE1 3.44Å; Q457-E461 WeakPolarHBondContact O-CG 3.43Å; Q457-E461 PolarHBondContact O-N 3.2Å; R458-E461 PolarHBondContact O-N 3Å; E461-E464 PolarHBondContact O-N 3.03Å; E461-Q465 VanDerWaalsContact O-CG 3.31Å; E461-Q465 WeakPolarHBondContact O-CG 3.29Å; E461-Q465 PolarHBondContact O-N 3.2Å
462	L	84.8	Confident	87.3	Confident	22 Å²	22	62.3 Å²	62.3	12%	0.115	32%	0.32	C	S	.	.	H	α-helix	trans	-64.8	-41.6	176	-71.5	171.8	0	0	0	111.7	L137 C141 R458 H459 A460 Q465 I466	L137-L462 HydrophobicContact CD2-CD2 3.9Å; C141-L462 HydrophobicContact CB-CB 4.08Å; C141-L462 HydrophobicContact CB-CD1 4.01Å; R458-L462 HydrophobicContact CG-CD1 4.19Å; R458-L462 WeakPolarHBondContact O-CB 3.2Å; R458-L462 VanDerWaalsContact O-CG 3.26Å; R458-L462 WeakPolarHBondContact O-CG 3.48Å; R458-L462 PolarHBondContact O-N 3.31Å; H459-L462 PolarHBondContact O-N 3Å; A460-L462 PolarHBondContact O-N 3.33Å; L462-Q465 PolarHBondContact O-N 3.14Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.22Å; L462-I466 PolarHBondContact O-N 3.47Å
463	C	84.2	Confident	87.4	Confident	17 Å²	17	61.9 Å²	61.9	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-45.7	175.5	-75.1	0	0	0	0	111.9	H459 A460 Q465 I466 V467	H459-C463 PolarHBondContact CE1-SG 3.23Å; H459-C463 WeakPolarHBondContact O-CB 3.14Å; H459-C463 PolarHBondContact O-N 3.14Å; H459-C463 PolarHBondContact O-SG 2.98Å; A460-C463 WeakPolarHBondContact O-CB 3.36Å; A460-C463 PolarHBondContact O-N 3Å; C463-Q465 PolarHBondContact O-N 3.36Å; C463-I466 PolarHBondContact O-N 2.84Å; C463-V467 WeakPolarHBondContact O-CG2 3.38Å; C463-V467 PolarHBondContact O-N 3.47Å
464	E	86.9	Confident	87.4	Confident	145 Å²	145	62.4 Å²	62.4	68%	0.678	32%	0.315	S	S	*	.	H	α-helix	trans	-61.3	-44.3	177.9	-172.9	178.9	176	0	0	111.6	A460 E461 I466 V467 A468	A460-E464 PolarHBondContact O-N 3.38Å; E461-E464 PolarHBondContact O-N 3.03Å; E464-I466 PolarHBondContact O-N 2.91Å; E464-V467 PolarHBondContact O-N 3.39Å; E464-A468 PolarHBondContact O-N 2.82Å
465	Q	89.2	Confident	87.4	Confident	92 Å²	92	63.1 Å²	63.1	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-42	175.9	-72.9	176.7	52.9	0	0	112.5	L137 E461 L462 C463 A468 L469	L137-Q465 HydrophobicContact CD1-CB 3.98Å; E461-Q465 VanDerWaalsContact O-CG 3.31Å; E461-Q465 WeakPolarHBondContact O-CG 3.29Å; E461-Q465 PolarHBondContact O-N 3.2Å; L462-Q465 PolarHBondContact O-N 3.14Å; C463-Q465 PolarHBondContact O-N 3.36Å; Q465-A468 PolarHBondContact O-N 3.46Å; Q465-L469 VanDerWaalsContact O-CG 3.31Å; Q465-L469 WeakPolarHBondContact O-CG 3.38Å; Q465-L469 PolarHBondContact O-N 2.92Å
466	I	87.7	Confident	87.7	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-45.1	176.9	-68.6	163.4	0	0	0	110.6	I134 L137 E138 C141 V143 F145 L462 C463 E464 L469 R470	I134-I466 HydrophobicContact CG2-CG2 4.29Å; L137-I466 HydrophobicContact CB-CD1 4.01Å; L137-I466 HydrophobicContact CB-CG1 3.64Å; L137-I466 HydrophobicContact CD1-CG1 4.19Å; E138-I466 HydrophobicContact CG-CD1 3.97Å; E138-I466 HydrophobicContact CG-CG1 4.47Å; E138-I466 HydrophobicContact CG-CG2 4.43Å; C141-I466 HydrophobicContact CB-CD1 4.32Å; V143-I466 HydrophobicContact CG2-CD1 3.57Å; F145-I466 HydrophobicContact CD2-CG2 3.86Å; F145-I466 HydrophobicContact CE1-CG2 4.29Å; F145-I466 HydrophobicContact CE2-CB 4.07Å; F145-I466 HydrophobicContact CE2-CD1 4.05Å; F145-I466 HydrophobicContact CE2-CG2 3.36Å; F145-I466 HydrophobicContact CZ-CB 4.17Å; F145-I466 HydrophobicContact CZ-CG2 3.6Å; L462-I466 VanDerWaalsContact O-CG1 3.28Å; L462-I466 WeakPolarHBondContact O-CG1 3.22Å; L462-I466 PolarHBondContact O-N 3.47Å; C463-I466 PolarHBondContact O-N 2.84Å; E464-I466 PolarHBondContact O-N 2.91Å; I466-L469 PolarHBondContact O-N 2.77Å; I466-R470 HydrophobicContact CG2-CG 4.31Å; I466-R470 WeakPolarHBondContact O-CB 3.32Å; I466-R470 VanDerWaalsContact O-CG 3.3Å; I466-R470 WeakPolarHBondContact O-CG 3.14Å; I466-R470 PolarHBondContact O-N 2.91Å
467	V	87.7	Confident	88	Confident	59 Å²	59	57.8 Å²	57.8	36%	0.358	30%	0.299	S	S	.	.	H	α-helix	trans	-59.3	-49.8	177.6	171.3	0	0	0	0	110.6	F145 C463 E464 L469 R470 E471	F145-V467 HydrophobicContact CE1-CG2 4.22Å; F145-V467 HydrophobicContact CZ-CG2 4.38Å; C463-V467 WeakPolarHBondContact O-CG2 3.38Å; C463-V467 PolarHBondContact O-N 3.47Å; E464-V467 PolarHBondContact O-N 3.39Å; V467-L469 VanDerWaalsContact C-N 3.33Å; V467-L469 PolarHBondContact O-N 3.13Å; V467-R470 WeakPolarHBondContact O-CB 3.45Å; V467-R470 PolarHBondContact O-N 2.88Å; V467-R470 VanDerWaalsContact O-N 3.1Å; V467-E471 PolarHBondContact O-N 3.41Å
468	A	90.5	Very high	88	Confident	42 Å²	42	57.9 Å²	57.9	35%	0.347	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-39.7	179.3	0	0	0	0	0	112.8	E464 Q465 K472	E464-A468 PolarHBondContact O-N 2.82Å; Q465-A468 PolarHBondContact O-N 3.46Å; A468-K472 WeakPolarHBondContact O-CG 3.35Å; A468-K472 PolarHBondContact O-N 3.46Å; A468-K472 VanDerWaalsContact O-N 3.14Å
469	L	91.8	Very high	88.3	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.058	28%	0.284	C	S	.	.	H	α-helix	trans	-68.4	-37.8	175.3	-71.3	170.8	0	0	0	112.2	L130 Q133 I134 L137 Q465 I466 V467 E471 K472 V473	L130-L469 HydrophobicContact CD2-CD2 3.8Å; Q133-L469 HydrophobicContact CB-CD1 4.28Å; Q133-L469 HydrophobicContact CG-CD1 3.71Å; I134-L469 HydrophobicContact CD1-CB 3.93Å; I134-L469 HydrophobicContact CG1-CB 3.55Å; I134-L469 HydrophobicContact CG1-CD1 4.1Å; I134-L469 HydrophobicContact CG1-CG 4.48Å; L137-L469 HydrophobicContact CD1-CD1 3.55Å; Q465-L469 VanDerWaalsContact O-CG 3.31Å; Q465-L469 WeakPolarHBondContact O-CG 3.38Å; Q465-L469 PolarHBondContact O-N 2.92Å; I466-L469 PolarHBondContact O-N 2.77Å; V467-L469 VanDerWaalsContact C-N 3.33Å; V467-L469 PolarHBondContact O-N 3.13Å; L469-E471 VanDerWaalsContact C-N 3.34Å; L469-K472 HydrophobicContact CD2-CD 4.46Å; L469-K472 WeakPolarHBondContact O-CB 3.45Å; L469-K472 PolarHBondContact O-N 2.93Å; L469-V473 WeakPolarHBondContact O-CG2 3.31Å; L469-V473 PolarHBondContact O-N 2.52Å
470	R	90.4	Very high	88.7	Confident	35 Å²	35	52.5 Å²	52.5	13%	0.132	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-37.8	176.1	-75.9	-179.5	171	-68.6	-3.3	112.1	I134 E138 F152 I466 V467 V473 T474	I134-R470 HydrophobicContact CD1-CG 3.83Å; I134-R470 HydrophobicContact CG1-CG 4.48Å; E138-R470 IonicContact OE1-CZ 2.91Å; E138-R470 IonicContact OE1-NE 2.64Å; E138-R470 IonicContact OE1-NH2 3.21Å; E138-R470 PolarHBondContact OE1-NH2 2.73Å; E138-R470 IonicContact OE2-NH2 3.81Å; F152-R470 HydrophobicContact CE2-CB 4.42Å; F152-R470 HydrophobicContact CZ-CB 4.37Å; F152-R470 HydrophobicContact CZ-CG 4.45Å; I466-R470 HydrophobicContact CG2-CG 4.31Å; I466-R470 WeakPolarHBondContact O-CB 3.32Å; I466-R470 VanDerWaalsContact O-CG 3.3Å; I466-R470 WeakPolarHBondContact O-CG 3.14Å; I466-R470 PolarHBondContact O-N 2.91Å; V467-R470 WeakPolarHBondContact O-CB 3.45Å; V467-R470 PolarHBondContact O-N 2.88Å; V467-R470 VanDerWaalsContact O-N 3.1Å; R470-V473 PolarHBondContact O-N 2.83Å; R470-T474 PolarHBondContact O-N 2.84Å; R470-T474 PolarHBondContact O-OG1 3.3Å
471	E	90.2	Very high	89	Confident	130 Å²	130	55.8 Å²	55.8	61%	0.607	28%	0.278	S	S	*	.	H	α-helix	trans	-62.1	-44.2	171.9	-71.5	179.6	171.3	0	0	111.3	V467 L469 V473 T474 A475	V467-E471 PolarHBondContact O-N 3.41Å; L469-E471 VanDerWaalsContact C-N 3.34Å; E471-V473 PolarHBondContact O-N 2.97Å; E471-T474 WeakPolarHBondContact O-CB 3.39Å; E471-T474 PolarHBondContact O-N 2.84Å; E471-A475 PolarHBondContact O-N 2.9Å
472	K	91	Very high	89.2	Confident	121 Å²	121	54.8 Å²	54.8	53%	0.526	27%	0.273	S	S	.	.	H	α-helix	trans	-59.8	-44.4	173.8	-70.8	175.9	-177.4	179.5	0	112.3	L130 A468 L469 T474 A475 C476	L130-K472 HydrophobicContact CD1-CB 4.16Å; A468-K472 WeakPolarHBondContact O-CG 3.35Å; A468-K472 PolarHBondContact O-N 3.46Å; A468-K472 VanDerWaalsContact O-N 3.14Å; L469-K472 HydrophobicContact CD2-CD 4.46Å; L469-K472 WeakPolarHBondContact O-CB 3.45Å; L469-K472 PolarHBondContact O-N 2.93Å; K472-T474 VanDerWaalsContact C-N 3.31Å; K472-T474 PolarHBondContact O-N 2.83Å; K472-A475 PolarHBondContact O-N 2.88Å; K472-C476 WeakPolarHBondContact O-CB 3.35Å; K472-C476 PolarHBondContact O-N 3.17Å; K472-C476 PolarHBondContact O-SG 2.74Å
473	V	91.4	Very high	89.5	Confident	8 Å²	8	54.1 Å²	54.1	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-60.3	-42.3	175.6	170.3	0	0	0	0	111	I127 L130 K131 I134 L469 R470 E471 S477	I127-V473 HydrophobicContact CG2-CG1 4.15Å; L130-V473 HydrophobicContact CB-CG2 3.55Å; L130-V473 HydrophobicContact CD1-CG2 4.09Å; L130-V473 HydrophobicContact CG-CG2 4.46Å; K131-V473 HydrophobicContact CG-CG2 4.46Å; I134-V473 HydrophobicContact CD1-CG2 3.75Å; L469-V473 WeakPolarHBondContact O-CG2 3.31Å; L469-V473 PolarHBondContact O-N 2.52Å; R470-V473 PolarHBondContact O-N 2.83Å; E471-V473 PolarHBondContact O-N 2.97Å; V473-S477 VanDerWaalsContact O-CB 3.26Å; V473-S477 WeakPolarHBondContact O-CB 3.09Å; V473-S477 PolarHBondContact O-N 3.12Å; V473-S477 PolarHBondContact O-OG 3.35Å
474	T	89.8	Confident	89.9	Confident	69 Å²	69	55.1 Å²	55.1	42%	0.423	27%	0.272	S	S	.	.	H	α-helix	trans	-61.8	-47.4	176.7	-58.3	0	0	0	0	111.5	R470 E471 K472 S477 R478	R470-T474 PolarHBondContact O-N 2.84Å; R470-T474 PolarHBondContact O-OG1 3.3Å; E471-T474 WeakPolarHBondContact O-CB 3.39Å; E471-T474 PolarHBondContact O-N 2.84Å; K472-T474 VanDerWaalsContact C-N 3.31Å; K472-T474 PolarHBondContact O-N 2.83Å; T474-S477 PolarHBondContact O-N 3.14Å; T474-R478 PolarHBondContact O-N 3.44Å
475	A	88.3	Confident	90.2	Very high	38 Å²	38	50.8 Å²	50.8	31%	0.314	26%	0.261	S	S	.	.	H	α-helix	trans	-61.8	-47.2	178	0	0	0	0	0	111.9	E471 K472 S477 R478 I479	E471-A475 PolarHBondContact O-N 2.9Å; K472-A475 PolarHBondContact O-N 2.88Å; A475-S477 VanDerWaalsContact C-N 3.31Å; A475-S477 PolarHBondContact O-N 3.43Å; A475-R478 WeakPolarHBondContact O-CB 3.41Å; A475-R478 PolarHBondContact O-N 3.47Å; A475-I479 PolarHBondContact O-N 2.91Å; A475-I479 VanDerWaalsContact O-N 3.17Å
476	C	89.8	Confident	90.4	Very high	15 Å²	15	48 Å²	48	10%	0.101	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-40.9	175.3	-66.5	0	0	0	0	111.8	Y122 I127 K472 R478 I479 V480	Y122-C476 HydrophobicContact CD1-CB 3.83Å; Y122-C476 HydrophobicContact CE1-CB 4.15Å; I127-C476 HydrophobicContact CD1-CB 3.71Å; I127-C476 HydrophobicContact CG1-CB 3.53Å; K472-C476 WeakPolarHBondContact O-CB 3.35Å; K472-C476 PolarHBondContact O-N 3.17Å; K472-C476 PolarHBondContact O-SG 2.74Å; C476-R478 VanDerWaalsContact C-N 3.31Å; C476-R478 PolarHBondContact O-N 3.42Å; C476-I479 WeakPolarHBondContact O-CB 3.35Å; C476-I479 PolarHBondContact O-N 2.84Å; C476-V480 WeakPolarHBondContact O-CG2 3.32Å; C476-V480 PolarHBondContact O-N 3.29Å
477	S	90.4	Very high	90.7	Very high	4 Å²	4	48 Å²	48	3%	0.028	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-34.6	178.9	-62.1	0	0	0	0	112.6	V473 T474 A475 K481	V473-S477 VanDerWaalsContact O-CB 3.26Å; V473-S477 WeakPolarHBondContact O-CB 3.09Å; V473-S477 PolarHBondContact O-N 3.12Å; V473-S477 PolarHBondContact O-OG 3.35Å; T474-S477 PolarHBondContact O-N 3.14Å; A475-S477 VanDerWaalsContact C-N 3.31Å; A475-S477 PolarHBondContact O-N 3.43Å; S477-K481 WeakPolarHBondContact O-CB 3.49Å; S477-K481 VanDerWaalsContact O-CG 3.32Å; S477-K481 WeakPolarHBondContact O-CG 3.19Å; S477-K481 PolarHBondContact O-N 3.46Å
478	R	88.4	Confident	91	Very high	122 Å²	122	47.3 Å²	47.3	46%	0.46	24%	0.241	S	C	.	.	H	α-helix	trans	-64.2	-42.4	172.9	-178.3	173.5	59.4	165.9	2.9	111.4	D60 T474 A475 C476 K481 K482	D60-R478 VanDerWaalsContact CG-NH2 3.25Å; D60-R478 IonicContact OD1-CZ 2.61Å; D60-R478 IonicContact OD1-NH1 3.8Å; D60-R478 PolarHBondContact OD1-NH1 3.2Å; D60-R478 IonicContact OD1-NH2 3.95Å; D60-R478 PolarHBondContact OD1-NH2 3.45Å; D60-R478 IonicContact OD2-CZ 2.7Å; D60-R478 IonicContact OD2-NH1 2.83Å; D60-R478 PolarHBondContact OD2-NH1 2.99Å; D60-R478 IonicContact OD2-NH2 3.53Å; T474-R478 PolarHBondContact O-N 3.44Å; A475-R478 WeakPolarHBondContact O-CB 3.41Å; A475-R478 PolarHBondContact O-N 3.47Å; C476-R478 VanDerWaalsContact C-N 3.31Å; C476-R478 PolarHBondContact O-N 3.42Å; R478-K481 PolarHBondContact O-N 3.27Å; R478-K482 WeakPolarHBondContact O-CB 3.48Å; R478-K482 PolarHBondContact O-N 2.96Å
479	I	88.1	Confident	91.1	Very high	31 Å²	31	48.3 Å²	48.3	16%	0.159	25%	0.249	C	C	.	.	H	α-helix	trans	-61.7	-49.2	175.6	-64.6	167.7	0	0	0	110.7	P62 A475 C476 K481 K482 L483	P62-I479 HydrophobicContact CG-CD1 3.7Å; A475-I479 PolarHBondContact O-N 2.91Å; A475-I479 VanDerWaalsContact O-N 3.17Å; C476-I479 WeakPolarHBondContact O-CB 3.35Å; C476-I479 PolarHBondContact O-N 2.84Å; I479-K481 PolarHBondContact O-N 3.27Å; I479-K482 PolarHBondContact O-N 2.98Å; I479-L483 HydrophobicContact CG2-CD1 3.93Å; I479-L483 HydrophobicContact CG2-CG 4.37Å; I479-L483 PolarHBondContact O-N 3.21Å
480	V	90.9	Very high	91.2	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-59.7	-45.6	179.4	171.7	0	0	0	0	111.5	Y122 A123 I127 C476 K482 L483 Q484 L507	Y122-V480 HydrophobicContact CG-CG2 4.49Å; A123-V480 HydrophobicContact CB-CG1 4.39Å; I127-V480 HydrophobicContact CD1-CG2 3.82Å; C476-V480 WeakPolarHBondContact O-CG2 3.32Å; C476-V480 PolarHBondContact O-N 3.29Å; V480-K482 VanDerWaalsContact C-N 3.33Å; V480-K482 PolarHBondContact O-N 2.74Å; V480-L483 PolarHBondContact O-N 3.02Å; V480-Q484 VanDerWaalsContact O-CB 3.23Å; V480-Q484 WeakPolarHBondContact O-CB 3.38Å; V480-Q484 PolarHBondContact O-N 3.43Å; V480-L507 HydrophobicContact CB-CD1 3.55Å; V480-L507 HydrophobicContact CG1-CD1 3.51Å; V480-L507 HydrophobicContact CG2-CD1 4.1Å
481	K	91	Very high	91.3	Very high	125 Å²	125	46.9 Å²	46.9	54%	0.543	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-41.3	178	-75	176.2	-178.8	179.1	0	112.3	S477 R478 I479 A485	S477-K481 WeakPolarHBondContact O-CB 3.49Å; S477-K481 VanDerWaalsContact O-CG 3.32Å; S477-K481 WeakPolarHBondContact O-CG 3.19Å; S477-K481 PolarHBondContact O-N 3.46Å; R478-K481 PolarHBondContact O-N 3.27Å; I479-K481 PolarHBondContact O-N 3.27Å; K481-A485 PolarHBondContact O-N 3.39Å; K481-A485 VanDerWaalsContact O-N 3.13Å
482	K	89.9	Confident	91.4	Very high	63 Å²	63	42.8 Å²	42.8	27%	0.274	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-52.6	177	177.2	-176.1	168.1	-170.5	0	111.3	E68 R478 I479 V480 Q484 A485 E486	E68-K482 WeakPolarHBondContact OE1-CE 3.5Å; E68-K482 IonicContact OE1-NZ 3.16Å; E68-K482 PolarHBondContact OE1-NZ 2.93Å; R478-K482 WeakPolarHBondContact O-CB 3.48Å; R478-K482 PolarHBondContact O-N 2.96Å; I479-K482 PolarHBondContact O-N 2.98Å; V480-K482 VanDerWaalsContact C-N 3.33Å; V480-K482 PolarHBondContact O-N 2.74Å; K482-Q484 VanDerWaalsContact C-N 3.29Å; K482-Q484 PolarHBondContact O-N 2.82Å; K482-A485 PolarHBondContact O-N 2.93Å; K482-E486 VanDerWaalsContact CE-OE1 3.32Å; K482-E486 WeakPolarHBondContact CE-OE1 3.37Å; K482-E486 WeakPolarHBondContact O-CG 3.5Å; K482-E486 PolarHBondContact O-N 2.96Å
483	L	91.7	Very high	91.5	Very high	8 Å²	8	44.9 Å²	44.9	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-38.6	179.1	-72.4	176.8	0	0	0	111.8	F67 I118 L119 I479 V480 E486 I487	F67-L483 HydrophobicContact CD2-CD2 4.23Å; F67-L483 HydrophobicContact CE2-CD2 4.38Å; I118-L483 HydrophobicContact CB-CD1 4.1Å; I118-L483 HydrophobicContact CG2-CD1 3.61Å; L119-L483 HydrophobicContact CB-CB 4.23Å; L119-L483 HydrophobicContact CB-CD1 4.26Å; L119-L483 HydrophobicContact CD1-CB 3.94Å; I479-L483 HydrophobicContact CG2-CD1 3.93Å; I479-L483 HydrophobicContact CG2-CG 4.37Å; I479-L483 PolarHBondContact O-N 3.21Å; V480-L483 PolarHBondContact O-N 3.02Å; L483-E486 PolarHBondContact O-N 2.86Å; L483-I487 WeakPolarHBondContact O-CB 3.43Å; L483-I487 WeakPolarHBondContact O-CD1 3.49Å; L483-I487 WeakPolarHBondContact O-CG1 3.37Å; L483-I487 PolarHBondContact O-N 3.45Å
484	Q	93.6	Very high	91.5	Very high	38 Å²	38	48.1 Å²	48.1	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-51.7	175.5	173.3	165.2	-1.4	0	0	111	L119 V480 K482 E486 I487 E488 I502 S505	L119-Q484 HydrophobicContact CD1-CB 3.78Å; V480-Q484 VanDerWaalsContact O-CB 3.23Å; V480-Q484 WeakPolarHBondContact O-CB 3.38Å; V480-Q484 PolarHBondContact O-N 3.43Å; K482-Q484 VanDerWaalsContact C-N 3.29Å; K482-Q484 PolarHBondContact O-N 2.82Å; Q484-E486 PolarHBondContact O-N 3.43Å; Q484-I487 PolarHBondContact O-N 3.01Å; Q484-E488 HydrophobicContact CG-CG 4.36Å; Q484-E488 WeakPolarHBondContact CG-OE1 3.4Å; Q484-E488 PolarHBondContact NE2-OE1 3.13Å; Q484-E488 WeakPolarHBondContact O-CB 3.48Å; Q484-E488 VanDerWaalsContact O-CG 3.29Å; Q484-E488 WeakPolarHBondContact O-CG 3.32Å; Q484-E488 PolarHBondContact O-N 3.16Å; Q484-I502 HydrophobicContact CG-CB 4.15Å; Q484-I502 HydrophobicContact CG-CD1 4.37Å; Q484-I502 PolarHBondContact NE2-O 2.9Å; Q484-S505 PolarHBondContact NE2-OG 3.07Å; Q484-S505 PolarHBondContact OE1-OG 3.01Å
485	A	93	Very high	91.6	Very high	54 Å²	54	47.7 Å²	47.7	45%	0.446	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-42.1	179.9	0	0	0	0	0	112.2	K481 K482 A489	K481-A485 PolarHBondContact O-N 3.39Å; K481-A485 VanDerWaalsContact O-N 3.13Å; K482-A485 PolarHBondContact O-N 2.93Å; A485-A489 WeakPolarHBondContact O-CB 3.47Å; A485-A489 PolarHBondContact O-N 2.78Å
486	E	92.6	Very high	91.4	Very high	35 Å²	35	50.8 Å²	50.8	16%	0.164	25%	0.254	C	S	.	.	H	α-helix	trans	-65.3	-39.4	179.1	-72.9	173.3	162.7	0	0	111.7	F67 K71 K482 L483 Q484 E490	F67-E486 WeakPolarHBondContact CB-OE2 3.33Å; F67-E486 HydrophobicContact CD1-CB 4.13Å; F67-E486 HydrophobicContact CD1-CG 4.18Å; F67-E486 HydrophobicContact CD2-CB 4.16Å; F67-E486 HydrophobicContact CD2-CG 4.48Å; F67-E486 WeakPolarHBondContact CD2-OE2 3.26Å; F67-E486 HydrophobicContact CE1-CB 3.78Å; F67-E486 HydrophobicContact CE1-CG 4.3Å; F67-E486 HydrophobicContact CE2-CB 3.77Å; F67-E486 HydrophobicContact CG-CB 4.32Å; F67-E486 HydrophobicContact CG-CG 4.28Å; F67-E486 WeakPolarHBondContact CG-OE2 3.47Å; F67-E486 HydrophobicContact CZ-CB 3.59Å; K71-E486 IonicContact NZ-OE1 2.71Å; K71-E486 PolarHBondContact NZ-OE1 3.11Å; K482-E486 VanDerWaalsContact CE-OE1 3.32Å; K482-E486 WeakPolarHBondContact CE-OE1 3.37Å; K482-E486 WeakPolarHBondContact O-CG 3.5Å; K482-E486 PolarHBondContact O-N 2.96Å; L483-E486 PolarHBondContact O-N 2.86Å; Q484-E486 PolarHBondContact O-N 3.43Å; E486-E490 PolarHBondContact O-N 3.45Å; E486-E490 VanDerWaalsContact O-N 3.14Å
487	I	94.1	Very high	91.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73	-43.2	176.8	-64.6	167.8	0	0	0	111.6	L16 L112 A116 L119 L483 Q484 A489 E490 I491 I502	L16-I487 HydrophobicContact CD1-CG2 4.26Å; L16-I487 HydrophobicContact CD2-CD1 4.02Å; L16-I487 HydrophobicContact CD2-CG2 4.19Å; L112-I487 HydrophobicContact CD1-CB 4.44Å; L112-I487 HydrophobicContact CD1-CG1 4.25Å; L112-I487 HydrophobicContact CD1-CG2 3.88Å; A116-I487 HydrophobicContact CB-CD1 4.47Å; L119-I487 HydrophobicContact CB-CD1 4.35Å; L119-I487 HydrophobicContact CD1-CD1 4.22Å; L483-I487 WeakPolarHBondContact O-CB 3.43Å; L483-I487 WeakPolarHBondContact O-CD1 3.49Å; L483-I487 WeakPolarHBondContact O-CG1 3.37Å; L483-I487 PolarHBondContact O-N 3.45Å; Q484-I487 PolarHBondContact O-N 3.01Å; I487-A489 VanDerWaalsContact C-N 3.3Å; I487-A489 PolarHBondContact O-N 2.88Å; I487-E490 PolarHBondContact O-N 3.41Å; I487-I491 HydrophobicContact CG2-CD1 3.75Å; I487-I491 HydrophobicContact CG2-CG1 4.28Å; I487-I491 WeakPolarHBondContact O-CG1 3.45Å; I487-I491 PolarHBondContact O-N 3.33Å; I487-I502 HydrophobicContact CB-CD1 3.89Å; I487-I502 HydrophobicContact CG2-CD1 3.64Å
488	E	94.4	Very high	91.1	Very high	43 Å²	43	56.1 Å²	56.1	20%	0.201	29%	0.293	C	S	.	.	H	α-helix	trans	-58.8	-43.6	176.7	-77.2	172.5	178.6	0	0	111.2	Q484 I491 S492 V500 I502	Q484-E488 HydrophobicContact CG-CG 4.36Å; Q484-E488 WeakPolarHBondContact CG-OE1 3.4Å; Q484-E488 PolarHBondContact NE2-OE1 3.13Å; Q484-E488 WeakPolarHBondContact O-CB 3.48Å; Q484-E488 VanDerWaalsContact O-CG 3.29Å; Q484-E488 WeakPolarHBondContact O-CG 3.32Å; Q484-E488 PolarHBondContact O-N 3.16Å; E488-I491 PolarHBondContact O-N 2.64Å; E488-S492 VanDerWaalsContact O-CB 3.26Å; E488-S492 WeakPolarHBondContact O-CB 3.33Å; E488-S492 PolarHBondContact O-N 2.74Å; E488-V500 HydrophobicContact CG-CG1 4.43Å; E488-I502 HydrophobicContact CG-CB 4.36Å; E488-I502 HydrophobicContact CG-CD1 3.82Å; E488-I502 HydrophobicContact CG-CG1 3.75Å; E488-I502 PolarHBondContact OE1-N 3.19Å
489	A	93.3	Very high	91.1	Very high	63 Å²	63	56.4 Å²	56.4	52%	0.521	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-43.8	175.3	0	0	0	0	0	112	A485 I487 S492 R493	A485-A489 WeakPolarHBondContact O-CB 3.47Å; A485-A489 PolarHBondContact O-N 2.78Å; I487-A489 VanDerWaalsContact C-N 3.3Å; I487-A489 PolarHBondContact O-N 2.88Å; A489-S492 PolarHBondContact O-N 3.37Å; A489-R493 PolarHBondContact O-N 2.88Å
490	E	92.4	Very high	91.4	Very high	16 Å²	16	55.3 Å²	55.3	8%	0.075	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-44.2	177.9	178.1	56.4	-141.6	0	0	112.3	Y111 L112 E486 I487 R493 R494	Y111-E490 HydrophobicContact CE2-CG 4.01Å; Y111-E490 PolarHBondContact OH-OE1 2.94Å; Y111-E490 PolarHBondContact OH-OE2 3.02Å; L112-E490 HydrophobicContact CD1-CB 4.26Å; L112-E490 HydrophobicContact CD1-CG 3.92Å; L112-E490 HydrophobicContact CD2-CG 4.04Å; E486-E490 PolarHBondContact O-N 3.45Å; E486-E490 VanDerWaalsContact O-N 3.14Å; I487-E490 PolarHBondContact O-N 3.41Å; E490-R493 WeakPolarHBondContact O-CB 3.41Å; E490-R493 PolarHBondContact O-N 2.92Å; E490-R493 IonicContact OE1-CZ 3.61Å; E490-R493 IonicContact OE1-NE 3.33Å; E490-R493 IonicContact OE1-NH2 2.62Å; E490-R493 PolarHBondContact OE1-NH2 3.19Å; E490-R493 IonicContact OE2-CZ 2.68Å; E490-R493 IonicContact OE2-NE 2.63Å; E490-R493 IonicContact OE2-NH1 2.94Å; E490-R493 IonicContact OE2-NH2 3.57Å; E490-R493 PolarHBondContact OE2-NH2 3.04Å; E490-R494 PolarHBondContact O-N 3.23Å; E490-R494 IonicContact OE1-CZ 2.73Å; E490-R494 IonicContact OE1-NE 3.69Å; E490-R494 PolarHBondContact OE1-NE 2.63Å; E490-R494 IonicContact OE1-NH2 3.74Å; E490-R494 PolarHBondContact OE1-NH2 3.27Å; E490-R494 VanDerWaalsContact OE1-NH2 3.16Å
491	I	93.5	Very high	91.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-69	-40.6	178.4	-62.9	172.9	0	0	0	109.8	I11 L16 W19 L20 I487 E488 R493 R494 Y495 V500	I11-I491 HydrophobicContact CD1-CD1 3.77Å; L16-I491 HydrophobicContact CD1-CD1 4.14Å; W19-I491 HydrophobicContact CH2-CG2 3.95Å; W19-I491 HydrophobicContact CZ3-CD1 4.19Å; W19-I491 HydrophobicContact CZ3-CG2 4.21Å; L20-I491 HydrophobicContact CD2-CD1 4.21Å; L20-I491 HydrophobicContact CD2-CG1 4.41Å; I487-I491 HydrophobicContact CG2-CD1 3.75Å; I487-I491 HydrophobicContact CG2-CG1 4.28Å; I487-I491 WeakPolarHBondContact O-CG1 3.45Å; I487-I491 PolarHBondContact O-N 3.33Å; E488-I491 PolarHBondContact O-N 2.64Å; I491-R493 VanDerWaalsContact C-N 3.27Å; I491-R493 PolarHBondContact O-N 3.35Å; I491-R494 WeakPolarHBondContact O-CA 3.32Å; I491-R494 WeakPolarHBondContact O-CB 3.41Å; I491-R494 PolarHBondContact O-N 3.22Å; I491-Y495 HydrophobicContact CG2-CD2 3.85Å; I491-Y495 HydrophobicContact CG2-CE2 4.12Å; I491-Y495 WeakPolarHBondContact O-CD2 3.36Å; I491-Y495 PolarHBondContact O-N 2.8Å; I491-Y495 VanDerWaalsContact O-N 3.13Å; I491-V500 HydrophobicContact CB-CG1 4.02Å; I491-V500 HydrophobicContact CB-CG2 4.17Å; I491-V500 HydrophobicContact CD1-CG1 4.42Å; I491-V500 HydrophobicContact CG2-CB 4.42Å; I491-V500 HydrophobicContact CG2-CG1 3.83Å; I491-V500 HydrophobicContact CG2-CG2 3.75Å
492	S	92.6	Very high	91.5	Very high	45 Å²	45	51.6 Å²	51.6	32%	0.315	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-37.1	178.2	-172	0	0	0	0	111.6	E488 A489 R494 Y495 R498	E488-S492 VanDerWaalsContact O-CB 3.26Å; E488-S492 WeakPolarHBondContact O-CB 3.33Å; E488-S492 PolarHBondContact O-N 2.74Å; A489-S492 PolarHBondContact O-N 3.37Å; S492-R494 PolarHBondContact O-N 2.94Å; S492-Y495 CarbonylContact O-C 3.58Å; S492-Y495 PolarHBondContact O-N 3.26Å; S492-R498 PolarHBondContact OG-O 2.89Å
493	R	91.7	Very high	91.6	Very high	164 Å²	164	52.4 Å²	52.4	62%	0.619	29%	0.287	S	S	*	.	H	α-helix	trans	-58.9	-33.2	172.6	-172	175.8	68.3	168.1	6.3	113.1	A489 E490 I491	A489-R493 PolarHBondContact O-N 2.88Å; E490-R493 WeakPolarHBondContact O-CB 3.41Å; E490-R493 PolarHBondContact O-N 2.92Å; E490-R493 IonicContact OE1-CZ 3.61Å; E490-R493 IonicContact OE1-NE 3.33Å; E490-R493 IonicContact OE1-NH2 2.62Å; E490-R493 PolarHBondContact OE1-NH2 3.19Å; E490-R493 IonicContact OE2-CZ 2.68Å; E490-R493 IonicContact OE2-NE 2.63Å; E490-R493 IonicContact OE2-NH1 2.94Å; E490-R493 IonicContact OE2-NH2 3.57Å; E490-R493 PolarHBondContact OE2-NH2 3.04Å; I491-R493 VanDerWaalsContact C-N 3.27Å; I491-R493 PolarHBondContact O-N 3.35Å
494	R	91.8	Very high	91.2	Very high	77 Å²	77	53.7 Å²	53.7	29%	0.291	30%	0.302	S	S	.	.	H	α-helix	trans	-81.5	-18.6	177.7	-63	175.5	-174.6	-129	-3.7	113.2	H25 S109 E490 I491 S492	H25-R494 PolarHBondContact O-NH1 3.4Å; S109-R494 PolarHBondContact OG-NH1 2.87Å; S109-R494 PolarHBondContact OG-NH2 3.05Å; E490-R494 PolarHBondContact O-N 3.23Å; E490-R494 IonicContact OE1-CZ 2.73Å; E490-R494 IonicContact OE1-NE 3.69Å; E490-R494 PolarHBondContact OE1-NE 2.63Å; E490-R494 IonicContact OE1-NH2 3.74Å; E490-R494 PolarHBondContact OE1-NH2 3.27Å; E490-R494 VanDerWaalsContact OE1-NH2 3.16Å; I491-R494 WeakPolarHBondContact O-CA 3.32Å; I491-R494 WeakPolarHBondContact O-CB 3.41Å; I491-R494 PolarHBondContact O-N 3.22Å; S492-R494 PolarHBondContact O-N 2.94Å
495	Y	91.4	Very high	90.4	Very high	60 Å²	60	52.3 Å²	52.3	24%	0.235	30%	0.297	C	S	.	.	S	Bend	trans	-127.2	71.3	178.9	-64.3	-80.6	0	0	0	111.2	I9 W19 H25 I491 S492 G497 R498	I9-Y495 HydrophobicContact CD1-CD1 4.08Å; I9-Y495 HydrophobicContact CD1-CD2 3.73Å; I9-Y495 HydrophobicContact CD1-CE2 4.36Å; I9-Y495 HydrophobicContact CD1-CG 3.57Å; W19-Y495 AromaticContact CH2-CE2 3.84Å; W19-Y495 HydrophobicContact CH2-CE2 3.84Å; H25-Y495 AromaticContact CE1-CE2 3.81Å; H25-Y495 AromaticContact CE1-CZ 3.86Å; H25-Y495 PolarHBondContact CE1-OH 3.17Å; H25-Y495 AromaticContact NE2-CE2 3.51Å; H25-Y495 AromaticContact NE2-CZ 3.58Å; H25-Y495 PolarHBondContact NE2-OH 3.46Å; I491-Y495 HydrophobicContact CG2-CD2 3.85Å; I491-Y495 HydrophobicContact CG2-CE2 4.12Å; I491-Y495 WeakPolarHBondContact O-CD2 3.36Å; I491-Y495 PolarHBondContact O-N 2.8Å; I491-Y495 VanDerWaalsContact O-N 3.13Å; S492-Y495 CarbonylContact O-C 3.58Å; S492-Y495 PolarHBondContact O-N 3.26Å; Y495-G497 PolarHBondContact O-N 2.98Å; Y495-R498 WeakPolarHBondContact O-CB 3.43Å; Y495-R498 PolarHBondContact O-N 3.34Å; Y495-R498 VanDerWaalsContact O-N 3.12Å
496	P	85.3	Confident	88.7	Confident	103 Å²	103	55.7 Å²	55.7	67%	0.669	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	135.6	-175	-25	34	0	0	0	113	R498	P496-R498 VanDerWaalsContact C-N 3.29Å
497	G	84.8	Confident	87.1	Confident	71 Å²	71	55.1 Å²	55.1	73%	0.732	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-3.5	-179.3	0	0	0	0	0	114.7	Y495	Y495-G497 PolarHBondContact O-N 2.98Å
498	R	88.8	Confident	84.8	Confident	60 Å²	60	58.6 Å²	58.6	23%	0.226	34%	0.338	C	S	.	.			trans	-105.9	129.5	178.2	-56.9	-170.8	67.3	-167.6	-1.4	111.1	K5 I7 P8 I9 S492 Y495 P496	K5-R498 WeakPolarHBondContact O-CG 3.01Å; I7-R498 PolarHBondContact O-NE 3.07Å; I7-R498 PolarHBondContact O-NH2 3.27Å; P8-R498 PolarHBondContact O-NH2 3.41Å; I9-R498 HydrophobicContact CD1-CB 4.23Å; I9-R498 HydrophobicContact CG1-CB 4.36Å; I9-R498 VanDerWaalsContact CG1-NH2 3.3Å; S492-R498 PolarHBondContact OG-O 2.89Å; Y495-R498 WeakPolarHBondContact O-CB 3.43Å; Y495-R498 PolarHBondContact O-N 3.34Å; Y495-R498 VanDerWaalsContact O-N 3.12Å; P496-R498 VanDerWaalsContact C-N 3.29Å
499	Q	89.1	Confident	82.4	Confident	127 Å²	127	61 Å²	61	59%	0.593	36%	0.355	S	S	*	.			trans	-69.7	135.2	167.5	-177.2	176.8	-16.6	0	0	109.4	P8 I9 N501	P8-Q499 CarbonylContact C-O 3.56Å; P8-Q499 WeakPolarHBondContact CA-O 3.4Å; P8-Q499 HydrophobicContact CB-CB 4.37Å; I9-Q499 PolarHBondContact N-O 3.12Å; Q499-N501 PolarHBondContact NE2-OD1 2.94Å
500	V	92.6	Very high	81.8	Confident	9 Å²	9	60.9 Å²	60.9	6%	0.055	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.7	176.5	-176.7	0	0	0	0	107.9	I9 I11 E488 I491	I9-V500 HydrophobicContact CB-CG2 4.25Å; I9-V500 HydrophobicContact CD1-CG2 4.3Å; I9-V500 WeakPolarHBondContact O-CA 3.35Å; I11-V500 HydrophobicContact CD1-CG1 4.29Å; E488-V500 HydrophobicContact CG-CG1 4.43Å; I491-V500 HydrophobicContact CB-CG1 4.02Å; I491-V500 HydrophobicContact CB-CG2 4.17Å; I491-V500 HydrophobicContact CD1-CG1 4.42Å; I491-V500 HydrophobicContact CG2-CB 4.42Å; I491-V500 HydrophobicContact CG2-CG1 3.83Å; I491-V500 HydrophobicContact CG2-CG2 3.75Å
501	N	92.7	Very high	81.3	Confident	43 Å²	43	63.2 Å²	63.2	23%	0.23	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.5	175.8	-48.9	-61.7	0	0	0	109.5	I9 D10 I11 Q499 I503	I9-N501 PolarHBondContact O-N 2.92Å; D10-N501 WeakPolarHBondContact CA-O 3.45Å; D10-N501 WeakPolarHBondContact OD1-CB 3.46Å; D10-N501 PolarHBondContact OD1-ND2 3.27Å; I11-N501 PolarHBondContact N-O 3.14Å; Q499-N501 PolarHBondContact NE2-OD1 2.94Å; N501-I503 HydrophobicContact CB-CG2 4.27Å
502	I	93.1	Very high	80.6	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	107.8	168.3	-61.2	170.7	0	0	0	107.5	I11 C13 L16 L119 Q484 I487 E488 S505	I11-I502 CarbonylContact O-C 3.58Å; I11-I502 VanDerWaalsContact O-CA 3.31Å; I11-I502 WeakPolarHBondContact O-CA 3.45Å; C13-I502 HydrophobicContact CB-CG2 4Å; L16-I502 HydrophobicContact CD1-CD1 4.29Å; L16-I502 HydrophobicContact CD1-CG1 4.48Å; L16-I502 HydrophobicContact CD2-CD1 4.04Å; L119-I502 HydrophobicContact CD2-CG2 4.45Å; Q484-I502 HydrophobicContact CG-CB 4.15Å; Q484-I502 HydrophobicContact CG-CD1 4.37Å; Q484-I502 PolarHBondContact NE2-O 2.9Å; I487-I502 HydrophobicContact CB-CD1 3.89Å; I487-I502 HydrophobicContact CG2-CD1 3.64Å; E488-I502 HydrophobicContact CG-CB 4.36Å; E488-I502 HydrophobicContact CG-CD1 3.82Å; E488-I502 HydrophobicContact CG-CG1 3.75Å; E488-I502 PolarHBondContact OE1-N 3.19Å; I502-S505 PolarHBondContact O-OG 2.97Å
503	I	90.2	Very high	79.9	Confident	80 Å²	80	68 Å²	68	41%	0.41	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	156.6	-176.8	63	171.1	0	0	0	111.1	D10 I11 H12 C13 N501 S505	D10-I503 HydrophobicContact CB-CD1 4.32Å; I11-I503 PolarHBondContact O-N 3.01Å; H12-I503 CarbonylContact C-O 3.53Å; H12-I503 WeakPolarHBondContact CA-O 3.45Å; H12-I503 HydrophobicContact CB-CG1 4.49Å; C13-I503 WeakPolarHBondContact CB-O 3.18Å; C13-I503 PolarHBondContact N-O 2.85Å; N501-I503 HydrophobicContact CB-CG2 4.27Å; I503-S505 PolarHBondContact O-N 2.84Å
504	G	83.9	Confident	79.2	Confident	36 Å²	36	62 Å²	62	37%	0.371	37%	0.371	S	S	.	.	S	Bend	trans	78.9	-0.3	179.7	0	0	0	0	0	114.5	V506	G504-V506 PolarHBondContact O-N 3.37Å
505	S	76.4	Confident	78.3	Confident	8 Å²	8	61 Å²	61	6%	0.056	38%	0.376	C	S	.	.			trans	-76.5	-2.3	164.1	58.9	0	0	0	0	112.4	Q484 I502 I503 L507	Q484-S505 PolarHBondContact NE2-OG 3.07Å; Q484-S505 PolarHBondContact OE1-OG 3.01Å; I502-S505 PolarHBondContact O-OG 2.97Å; I503-S505 PolarHBondContact O-N 2.84Å; S505-L507 VanDerWaalsContact C-N 3.32Å; S505-L507 VanDerWaalsContact O-CG 3.3Å; S505-L507 WeakPolarHBondContact O-CG 3.42Å; S505-L507 PolarHBondContact O-N 2.84Å
506	V	57.4	Low	77.4	Confident	126 Å²	126	61.1 Å²	61.1	76%	0.764	39%	0.386	S	S	*	.			trans	-65.4	92	-166.6	-174.4	0	0	0	0	111.3	G504 A508	G504-V506 PolarHBondContact O-N 3.37Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 3.17Å; V506-A508 VanDerWaalsContact O-N 3.11Å
507	L	58.6	Low	76.8	Confident	23 Å²	23	57.8 Å²	57.8	12%	0.12	36%	0.364	C	S	.	.			trans	-69.2	83.2	162.6	-65.6	160	0	0	0	108.6	I127 V480 S505 V509	I127-L507 HydrophobicContact CB-CD2 3.95Å; I127-L507 HydrophobicContact CD1-CD1 3.93Å; I127-L507 HydrophobicContact CD1-CD2 3.33Å; I127-L507 HydrophobicContact CD1-CG 4.24Å; I127-L507 HydrophobicContact CG1-CD2 4.18Å; I127-L507 HydrophobicContact CG2-CD2 3.47Å; I127-L507 VanDerWaalsContact CG2-CD2 3.47Å; V480-L507 HydrophobicContact CB-CD1 3.55Å; V480-L507 HydrophobicContact CG1-CD1 3.51Å; V480-L507 HydrophobicContact CG2-CD1 4.1Å; S505-L507 VanDerWaalsContact C-N 3.32Å; S505-L507 VanDerWaalsContact O-CG 3.3Å; S505-L507 WeakPolarHBondContact O-CG 3.42Å; S505-L507 PolarHBondContact O-N 2.84Å; L507-V509 VanDerWaalsContact C-N 3.33Å; L507-V509 PolarHBondContact O-N 3.39Å
508	A	47.4	Very low	76.1	Confident	72 Å²	72	56.8 Å²	56.8	60%	0.595	33%	0.334	S	S	*	.			trans	-62.4	104.8	154.6	0	0	0	0	0	106	K131 V506	K131-A508 PolarHBondContact NZ-O 2.83Å; V506-A508 VanDerWaalsContact C-N 3.33Å; V506-A508 PolarHBondContact O-N 3.17Å; V506-A508 VanDerWaalsContact O-N 3.11Å
509	V	42.9	Very low	74.9	Confident	93 Å²	93	56.5 Å²	56.5	56%	0.564	34%	0.344	S	S	*	.			trans	-66.2	0	169	174.9	0	0	0	0	108.2	L507	L507-V509 VanDerWaalsContact C-N 3.33Å; L507-V509 PolarHBondContact O-N 3.39Å

Retrieved 509 of 509 residues in 447.1 ms (Link to these results)

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