A0A075B7B4_HUMAN Loading...

Inhibitor of nuclear factor kappa-B kinase subunit epsilon

AlphaFold DB , UniProt , Accession A0A075B7B4, Species HUMAN (Homo sapiens, Human), Gene IKBKE, Length 657 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	85.9	Confident	93.7	Very high	156 Å²	156	58 Å²	58	77%	0.768	32%	0.322	S	S	*	.				0	134.8	0	-166.1	174.5	83.7	0	0	110	L8 W9	M1-L8 HydrophobicContact SD-CD1 4.26Å; M1-W9 WeakPolarHBondContact CA-O 3.47Å
2	Q	92	Very high	93.6	Very high	77 Å²	77	63.8 Å²	63.8	36%	0.36	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.1	176.5	-69	-175.9	-1.7	0	0	110.1	L8 W9 T11	Q2-L8 WeakPolarHBondContact O-CA 3.28Å; Q2-W9 HydrophobicContact CB-CD2 4.15Å; Q2-W9 VanDerWaalsContact CB-CE2 3.48Å; Q2-W9 HydrophobicContact CB-CH2 4.38Å; Q2-W9 HydrophobicContact CB-CZ2 3.62Å; Q2-W9 PolarHBondContact N-O 3.45Å; Q2-W9 PolarHBondContact O-N 3.26Å; Q2-W9 VanDerWaalsContact OE1-NE1 3.13Å; Q2-T11 HydrophobicContact CG-CG2 4.33Å
3	S	94.3	Very high	93.6	Very high	48 Å²	48	64.9 Å²	64.9	34%	0.336	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	158	178.9	71.2	0	0	0	0	113.8	Y7 G77	S3-Y7 CarbonylContact C-O 3.53Å; S3-Y7 VanDerWaalsContact CA-O 3.25Å; S3-Y7 WeakPolarHBondContact CA-O 3.09Å; S3-Y7 VanDerWaalsContact CB-O 3.25Å; S3-Y7 WeakPolarHBondContact CB-O 3.42Å; S3-G77 PolarHBondContact O-N 2.77Å
4	T	95.1	Very high	93.6	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.031	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-107.7	-166.1	163.8	62.9	0	0	0	0	109.8	Y7 W9 K29 E74 E75 V83	T4-Y7 PolarHBondContact N-O 3.13Å; T4-Y7 PolarHBondContact OG1-N 2.89Å; T4-Y7 VanDerWaalsContact OG1-N 3.13Å; T4-W9 HydrophobicContact CG2-CH2 3.8Å; T4-W9 HydrophobicContact CG2-CZ3 3.86Å; T4-K29 WeakPolarHBondContact O-CE 3.19Å; T4-K29 PolarHBondContact O-NZ 3Å; T4-E74 WeakPolarHBondContact CB-OE2 3.35Å; T4-E74 HydrophobicContact CG2-CB 3.94Å; T4-E74 PolarHBondContact OG1-OE2 3.2Å; T4-E75 WeakPolarHBondContact CB-O 3.48Å; T4-E75 WeakPolarHBondContact CG2-O 3.41Å; T4-V83 HydrophobicContact CG2-CG2 3.49Å; T4-V83 VanDerWaalsContact CG2-CG2 3.49Å
5	A	93.8	Very high	93.5	Very high	74 Å²	74	66.7 Å²	66.7	61%	0.612	36%	0.364	S	S	*	.	S	Bend	trans	-55.7	-52.2	173.3	0	0	0	0	0	111.2	K29 E74	A5-K29 WeakPolarHBondContact O-CD 3.44Å; A5-K29 PolarHBondContact O-NZ 3.09Å; A5-K29 VanDerWaalsContact O-NZ 3.11Å; A5-E74 PolarHBondContact N-OE2 3.2Å
6	N	95.9	Very high	93.1	Very high	60 Å²	60	64.4 Å²	64.4	32%	0.321	36%	0.361	S	S	.	.	S	Bend	trans	-109.1	-8.8	-170.4	-60.2	-61.6	0	0	0	115.2	K29 E74	N6-K29 WeakPolarHBondContact O-CB 3.5Å; N6-K29 WeakPolarHBondContact O-CG 3.33Å; N6-K29 PolarHBondContact O-N 3.13Å; N6-E74 WeakPolarHBondContact CB-OE1 3.38Å; N6-E74 PolarHBondContact N-OE2 2.9Å; N6-E74 VanDerWaalsContact N-OE2 3.14Å; N6-E74 PolarHBondContact ND2-OE1 2.86Å
7	Y	96.8	Very high	92.7	Very high	22 Å²	22	69.6 Å²	69.6	9%	0.086	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	151.6	-173.9	-57.3	-88.6	0	0	0	112.4	S3 T4 R27 N28 K29 V35 E74 V85	S3-Y7 CarbonylContact C-O 3.53Å; S3-Y7 VanDerWaalsContact CA-O 3.25Å; S3-Y7 WeakPolarHBondContact CA-O 3.09Å; S3-Y7 VanDerWaalsContact CB-O 3.25Å; S3-Y7 WeakPolarHBondContact CB-O 3.42Å; T4-Y7 PolarHBondContact N-O 3.13Å; T4-Y7 PolarHBondContact OG1-N 2.89Å; T4-Y7 VanDerWaalsContact OG1-N 3.13Å; Y7-R27 WeakPolarHBondContact CA-O 3.37Å; Y7-N28 HydrophobicContact CD1-CB 4.01Å; Y7-N28 HydrophobicContact CE1-CB 3.75Å; Y7-K29 WeakPolarHBondContact O-CE 3.41Å; Y7-V35 HydrophobicContact CD1-CG2 3.6Å; Y7-V35 HydrophobicContact CE1-CG1 4.07Å; Y7-V35 HydrophobicContact CE1-CG2 3.92Å; Y7-E74 WeakPolarHBondContact CD2-OE2 3.38Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.48Å; Y7-V85 HydrophobicContact CD1-CG1 3.95Å; Y7-V85 HydrophobicContact CD2-CG1 4.2Å; Y7-V85 HydrophobicContact CD2-CG2 3.76Å; Y7-V85 HydrophobicContact CE1-CG1 3.63Å; Y7-V85 HydrophobicContact CE2-CB 4.31Å; Y7-V85 HydrophobicContact CE2-CG1 3.92Å; Y7-V85 HydrophobicContact CE2-CG2 3.85Å; Y7-V85 HydrophobicContact CG-CG1 4.22Å; Y7-V85 HydrophobicContact CG-CG2 4.29Å
8	L	95.8	Very high	91.9	Very high	62 Å²	62	68.1 Å²	68.1	33%	0.325	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.6	175.8	78.3	90.7	0	0	0	111.2	M1 Q2 A26 R27 K29	M1-L8 HydrophobicContact SD-CD1 4.26Å; Q2-L8 WeakPolarHBondContact O-CA 3.28Å; L8-A26 VanDerWaalsContact O-CA 3.32Å; L8-A26 WeakPolarHBondContact O-CA 3.42Å; L8-A26 WeakPolarHBondContact O-CB 3.47Å; L8-R27 PolarHBondContact N-O 3.42Å; L8-R27 PolarHBondContact O-N 2.96Å; L8-K29 HydrophobicContact CD2-CG 4.06Å
9	W	96.1	Very high	91.1	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.008	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.1	175.8	60.1	101	0	0	0	112.8	M1 Q2 T4 Y24 K25 A26 V37 V39 T76 V83	M1-W9 WeakPolarHBondContact CA-O 3.47Å; Q2-W9 HydrophobicContact CB-CD2 4.15Å; Q2-W9 VanDerWaalsContact CB-CE2 3.48Å; Q2-W9 HydrophobicContact CB-CH2 4.38Å; Q2-W9 HydrophobicContact CB-CZ2 3.62Å; Q2-W9 PolarHBondContact N-O 3.45Å; Q2-W9 PolarHBondContact O-N 3.26Å; Q2-W9 VanDerWaalsContact OE1-NE1 3.13Å; T4-W9 HydrophobicContact CG2-CH2 3.8Å; T4-W9 HydrophobicContact CG2-CZ3 3.86Å; W9-Y24 AromaticContact CD1-CD2 3.82Å; W9-Y24 AromaticContact CD1-CG 3.51Å; W9-Y24 HydrophobicContact CG-CG 4.37Å; W9-Y24 AromaticContact NE1-CD2 3.71Å; W9-Y24 AromaticContact NE1-CG 3.91Å; W9-K25 VanDerWaalsContact CB-O 3.32Å; W9-K25 WeakPolarHBondContact CB-O 3.39Å; W9-A26 HydrophobicContact CB-CB 3.79Å; W9-A26 HydrophobicContact CE3-CB 4.36Å; W9-V37 HydrophobicContact CD2-CG1 4.43Å; W9-V37 HydrophobicContact CE3-CB 4.35Å; W9-V37 HydrophobicContact CE3-CG1 4.17Å; W9-V37 HydrophobicContact CE3-CG2 4.25Å; W9-V37 HydrophobicContact CH2-CG1 4Å; W9-V37 HydrophobicContact CZ2-CG1 4.24Å; W9-V37 HydrophobicContact CZ3-CG1 3.96Å; W9-V37 HydrophobicContact CZ3-CG2 4.46Å; W9-V39 HydrophobicContact CZ2-CG2 3.72Å; W9-T76 HydrophobicContact CH2-CG2 4.13Å; W9-T76 HydrophobicContact CZ2-CG2 4.34Å; W9-V83 HydrophobicContact CH2-CG1 4.47Å
10	H	94.6	Very high	90.6	Very high	74 Å²	74	67.9 Å²	67.9	34%	0.343	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	147.9	167.5	-150	-98.7	0	0	0	110.5	D12 D13	H10-D12 IonicContact CE1-OD2 3.22Å; H10-D12 PolarHBondContact CE1-OD2 3.05Å; H10-D12 WeakPolarHBondContact ND1-CB 3.47Å; H10-D12 VanDerWaalsContact ND1-CG 3.27Å; H10-D12 PolarHBondContact ND1-N 3.21Å; H10-D12 IonicContact ND1-OD1 2.97Å; H10-D12 IonicContact ND1-OD2 2.7Å; H10-D12 PolarHBondContact ND1-OD2 3.36Å; H10-D12 PolarHBondContact O-N 3.49Å; H10-D13 HydrophobicContact CB-CB 4.39Å; H10-D13 VanDerWaalsContact CB-OD2 3.31Å; H10-D13 WeakPolarHBondContact CB-OD2 3.38Å; H10-D13 PolarHBondContact O-N 3.17Å
11	T	90.8	Very high	90.5	Very high	58 Å²	58	64.8 Å²	64.8	36%	0.356	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-19.7	176.7	43.8	0	0	0	0	112.5	Q2 D13 Y24	Q2-T11 HydrophobicContact CG-CG2 4.33Å; T11-D13 VanDerWaalsContact C-N 3.34Å; T11-Y24 WeakPolarHBondContact O-CE1 3.37Å
12	D	92.1	Very high	90.8	Very high	127 Å²	127	58.2 Å²	58.2	68%	0.679	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	-17.3	177.6	-54.5	-21.9	0	0	0	112.1	H10 L14	H10-D12 IonicContact CE1-OD2 3.22Å; H10-D12 PolarHBondContact CE1-OD2 3.05Å; H10-D12 WeakPolarHBondContact ND1-CB 3.47Å; H10-D12 VanDerWaalsContact ND1-CG 3.27Å; H10-D12 PolarHBondContact ND1-N 3.21Å; H10-D12 IonicContact ND1-OD1 2.97Å; H10-D12 IonicContact ND1-OD2 2.7Å; H10-D12 PolarHBondContact ND1-OD2 3.36Å; H10-D12 PolarHBondContact O-N 3.49Å; D12-L14 PolarHBondContact O-N 3Å
13	D	93.9	Very high	90.9	Very high	79 Å²	79	56.1 Å²	56.1	42%	0.422	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	41.3	177.5	-72	-40	0	0	0	111.7	H10 T11 L15 Y24 K25	H10-D13 HydrophobicContact CB-CB 4.39Å; H10-D13 VanDerWaalsContact CB-OD2 3.31Å; H10-D13 WeakPolarHBondContact CB-OD2 3.38Å; H10-D13 PolarHBondContact O-N 3.17Å; T11-D13 VanDerWaalsContact C-N 3.34Å; D13-L15 PolarHBondContact O-N 3.43Å; D13-Y24 CarbonylContact O-C 3.57Å; D13-Y24 WeakPolarHBondContact O-CA 3.5Å; D13-K25 HydrophobicContact CB-CB 4.12Å; D13-K25 PolarHBondContact O-N 3.15Å
14	L	93.9	Very high	91	Very high	76 Å²	76	55.3 Å²	55.3	40%	0.398	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.9	-179.7	-177.3	69.1	0	0	0	110.2	D12 G16 Q17 Y24	D12-L14 PolarHBondContact O-N 3Å; L14-G16 WeakPolarHBondContact CD1-O 3.47Å; L14-Q17 HydrophobicContact CD2-CB 4.34Å; L14-Y24 HydrophobicContact CB-CD1 4.33Å; L14-Y24 HydrophobicContact CB-CE1 4.21Å; L14-Y24 HydrophobicContact CD1-CD1 4.13Å; L14-Y24 HydrophobicContact CD1-CE1 3.69Å
15	L	91.9	Very high	91.1	Very high	80 Å²	80	58.3 Å²	58.3	42%	0.419	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-35.6	175.8	-63.8	176.4	0	0	0	112.1	D13 V23 K25 A36 Y88	D13-L15 PolarHBondContact O-N 3.43Å; L15-V23 HydrophobicContact CB-CG1 4.35Å; L15-V23 WeakPolarHBondContact CB-O 3.45Å; L15-V23 HydrophobicContact CD1-CG1 4.35Å; L15-V23 PolarHBondContact N-O 3Å; L15-K25 HydrophobicContact CD1-CB 3.97Å; L15-K25 HydrophobicContact CD2-CB 4.01Å; L15-K25 HydrophobicContact CG-CB 4Å; L15-A36 HydrophobicContact CD1-CB 4.23Å; L15-Y88 HydrophobicContact CD1-CD2 3.76Å; L15-Y88 HydrophobicContact CD1-CE2 3.64Å; L15-Y88 HydrophobicContact CD2-CE2 3.84Å; L15-Y88 HydrophobicContact CG-CE2 4.41Å
16	G	86.9	Confident	91.3	Very high	31 Å²	31	55 Å²	55	32%	0.32	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	151.7	-179.9	0	0	0	0	0	112.2	L14 V23	L14-G16 WeakPolarHBondContact CD1-O 3.47Å; G16-V23 PolarHBondContact N-O 3.38Å; G16-V23 PolarHBondContact O-N 3.37Å
17	Q	85.9	Confident	91.4	Very high	153 Å²	153	57.9 Å²	57.9	72%	0.715	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	126.4	179	-174.3	175.5	12.4	0	0	109.6	L14	L14-Q17 HydrophobicContact CD2-CB 4.34Å
18	G	78.7	Confident	91.4	Very high	42 Å²	42	58 Å²	58	43%	0.433	32%	0.324	S	S	.	.			trans	-118.3	-179.7	175	0	0	0	0	0	111.9	T20 A21	G18-T20 PolarHBondContact O-N 3.04Å; G18-A21 PolarHBondContact N-O 2.95Å
19	A	77.4	Confident	91.4	Very high	92 Å²	92	59.7 Å²	59.7	76%	0.76	33%	0.329	S	S	*	.	S	Bend	trans	-65.2	-24.2	178.7	0	0	0	0	0	113.3	N41	A19-N41 PolarHBondContact O-ND2 2.94Å
20	T	80.3	Confident	91.4	Very high	39 Å²	39	68.2 Å²	68.2	24%	0.239	37%	0.366	C	S	.	.	S	Bend	trans	-112.3	-22	-172.2	53.1	0	0	0	0	113.6	G18 N41 S44	G18-T20 PolarHBondContact O-N 3.04Å; T20-N41 VanDerWaalsContact O-CG 3.29Å; T20-N41 PolarHBondContact O-N 3.07Å; T20-N41 PolarHBondContact O-OD1 3.42Å; T20-S44 VanDerWaalsContact CA-OG 3.3Å; T20-S44 WeakPolarHBondContact CA-OG 3.47Å; T20-S44 VanDerWaalsContact CB-OG 3.26Å; T20-S44 WeakPolarHBondContact CB-OG 3.19Å; T20-S44 PolarHBondContact O-OG 3.01Å
21	A	88.1	Confident	91.5	Very high	4 Å²	4	68.3 Å²	68.3	3%	0.033	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	161.7	-173.5	0	0	0	0	0	112.5	G18 K38 V39 F40	G18-A21 PolarHBondContact N-O 2.95Å; A21-K38 HydrophobicContact CB-CD 4.13Å; A21-K38 VanDerWaalsContact CB-CE 3.5Å; A21-K38 HydrophobicContact CB-CG 3.61Å; A21-V39 CarbonylContact C-O 3.55Å; A21-V39 VanDerWaalsContact CA-O 3.23Å; A21-V39 WeakPolarHBondContact CA-O 3.43Å; A21-V39 WeakPolarHBondContact CB-O 3.32Å; A21-F40 HydrophobicContact CB-CD1 4.04Å; A21-F40 HydrophobicContact CB-CE1 4.48Å
22	S	91.9	Very high	91.8	Very high	18 Å²	18	66.9 Å²	66.9	13%	0.126	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	140.2	166.9	-62.1	0	0	0	0	109.3	Y24 V39	S22-Y24 VanDerWaalsContact CB-CE2 3.48Å; S22-Y24 WeakPolarHBondContact CB-OH 3.36Å; S22-V39 PolarHBondContact N-O 3.41Å; S22-V39 PolarHBondContact O-N 2.86Å
23	V	94.9	Very high	92	Very high	32 Å²	32	65.9 Å²	65.9	19%	0.194	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126.7	178.9	-174.2	0	0	0	0	108.7	L15 G16 A36 V37 K38 M86	L15-V23 HydrophobicContact CB-CG1 4.35Å; L15-V23 WeakPolarHBondContact CB-O 3.45Å; L15-V23 HydrophobicContact CD1-CG1 4.35Å; L15-V23 PolarHBondContact N-O 3Å; G16-V23 PolarHBondContact N-O 3.38Å; G16-V23 PolarHBondContact O-N 3.37Å; V23-A36 HydrophobicContact CG1-CB 4.11Å; V23-V37 CarbonylContact C-O 3.52Å; V23-V37 WeakPolarHBondContact CA-O 3.35Å; V23-K38 HydrophobicContact CG2-CB 4.17Å; V23-K38 HydrophobicContact CG2-CG 4.01Å; V23-M86 HydrophobicContact CG1-CE 4.46Å
24	Y	96.5	Very high	92.1	Very high	31 Å²	31	65 Å²	65	12%	0.122	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.5	-178.1	-60	-86.4	0	0	0	111.2	W9 T11 D13 L14 S22 A36 V37 V39	W9-Y24 AromaticContact CD1-CD2 3.82Å; W9-Y24 AromaticContact CD1-CG 3.51Å; W9-Y24 HydrophobicContact CG-CG 4.37Å; W9-Y24 AromaticContact NE1-CD2 3.71Å; W9-Y24 AromaticContact NE1-CG 3.91Å; T11-Y24 WeakPolarHBondContact O-CE1 3.37Å; D13-Y24 CarbonylContact O-C 3.57Å; D13-Y24 WeakPolarHBondContact O-CA 3.5Å; L14-Y24 HydrophobicContact CB-CD1 4.33Å; L14-Y24 HydrophobicContact CB-CE1 4.21Å; L14-Y24 HydrophobicContact CD1-CD1 4.13Å; L14-Y24 HydrophobicContact CD1-CE1 3.69Å; S22-Y24 VanDerWaalsContact CB-CE2 3.48Å; S22-Y24 WeakPolarHBondContact CB-OH 3.36Å; Y24-A36 CarbonylContact O-C 3.58Å; Y24-A36 WeakPolarHBondContact O-CA 3.05Å; Y24-V37 PolarHBondContact N-O 2.9Å; Y24-V37 PolarHBondContact O-N 2.8Å; Y24-V39 HydrophobicContact CD2-CB 4.48Å; Y24-V39 HydrophobicContact CD2-CG2 3.83Å; Y24-V39 HydrophobicContact CE2-CB 4.18Å; Y24-V39 HydrophobicContact CE2-CG2 3.95Å
25	K	97.4	Very high	92.3	Very high	68 Å²	68	61.4 Å²	61.4	30%	0.296	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.3	164.3	-173.2	-178	179	174.4	0	107.7	W9 D13 L15 L34 Y88	W9-K25 VanDerWaalsContact CB-O 3.32Å; W9-K25 WeakPolarHBondContact CB-O 3.39Å; D13-K25 HydrophobicContact CB-CB 4.12Å; D13-K25 PolarHBondContact O-N 3.15Å; L15-K25 HydrophobicContact CD1-CB 3.97Å; L15-K25 HydrophobicContact CD2-CB 4.01Å; L15-K25 HydrophobicContact CG-CB 4Å; K25-L34 HydrophobicContact CG-CD2 4.49Å; K25-Y88 HydrophobicContact CD-CE1 4.31Å; K25-Y88 HydrophobicContact CD-CE2 4.41Å; K25-Y88 HydrophobicContact CG-CE1 4.47Å; K25-Y88 HydrophobicContact CG-CE2 4.21Å
26	A	97.4	Very high	92.6	Very high	4 Å²	4	58 Å²	58	3%	0.033	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	173.2	-175	0	0	0	0	0	110.3	L8 W9 L34 V35 V37	L8-A26 VanDerWaalsContact O-CA 3.32Å; L8-A26 WeakPolarHBondContact O-CA 3.42Å; L8-A26 WeakPolarHBondContact O-CB 3.47Å; W9-A26 HydrophobicContact CB-CB 3.79Å; W9-A26 HydrophobicContact CE3-CB 4.36Å; A26-L34 WeakPolarHBondContact O-CA 3.36Å; A26-V35 HydrophobicContact CB-CG2 3.79Å; A26-V35 PolarHBondContact N-O 3.24Å; A26-V35 PolarHBondContact O-N 2.7Å; A26-V37 HydrophobicContact CB-CB 4.11Å; A26-V37 HydrophobicContact CB-CG2 3.41Å; A26-V37 VanDerWaalsContact CB-CG2 3.41Å
27	R	97.5	Very high	93	Very high	122 Å²	122	56.5 Å²	56.5	46%	0.46	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.3	177.2	-159.7	179.7	-69.5	-92.4	7.8	110.8	Y7 L8 K29 G32 E33	Y7-R27 WeakPolarHBondContact CA-O 3.37Å; L8-R27 PolarHBondContact N-O 3.42Å; L8-R27 PolarHBondContact O-N 2.96Å; R27-K29 PolarHBondContact O-N 3.36Å; R27-G32 VanDerWaalsContact CD-O 3.31Å; R27-G32 WeakPolarHBondContact CD-O 3.34Å; R27-G32 VanDerWaalsContact CG-C 3.41Å; R27-G32 WeakPolarHBondContact CG-O 3.38Å; R27-G32 PolarHBondContact NH1-O 2.95Å; R27-E33 CarbonylContact C-O 3.6Å; R27-E33 VanDerWaalsContact CA-O 3.31Å; R27-E33 WeakPolarHBondContact CA-O 3.3Å; R27-E33 WeakPolarHBondContact CG-O 3.48Å
28	N	97.8	Very high	93.5	Very high	24 Å²	24	49.6 Å²	49.6	13%	0.128	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.9	165.6	-174.9	-59.8	0	0	0	109.2	Y7 K30 S31 G32 E33	Y7-N28 HydrophobicContact CD1-CB 4.01Å; Y7-N28 HydrophobicContact CE1-CB 3.75Å; N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 3.01Å; N28-K30 WeakPolarHBondContact OD1-CA 3.32Å; N28-K30 PolarHBondContact OD1-N 2.87Å; N28-S31 VanDerWaalsContact CB-OG 3.27Å; N28-S31 WeakPolarHBondContact CB-OG 3.46Å; N28-S31 VanDerWaalsContact CG-OG 3.25Å; N28-S31 PolarHBondContact OD1-N 3.32Å; N28-S31 PolarHBondContact OD1-OG 3Å; N28-G32 VanDerWaalsContact O-CA 3.28Å; N28-G32 WeakPolarHBondContact O-CA 3.45Å; N28-G32 PolarHBondContact O-N 2.85Å; N28-E33 HydrophobicContact CB-CB 4.35Å; N28-E33 PolarHBondContact N-O 3.42Å
29	K	96.4	Very high	94.1	Very high	97 Å²	97	48.2 Å²	48.2	42%	0.422	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.7	-176.7	-72.1	178	-174.5	177.7	0	113.3	T4 A5 N6 Y7 L8 R27	T4-K29 WeakPolarHBondContact O-CE 3.19Å; T4-K29 PolarHBondContact O-NZ 3Å; A5-K29 WeakPolarHBondContact O-CD 3.44Å; A5-K29 PolarHBondContact O-NZ 3.09Å; A5-K29 VanDerWaalsContact O-NZ 3.11Å; N6-K29 WeakPolarHBondContact O-CB 3.5Å; N6-K29 WeakPolarHBondContact O-CG 3.33Å; N6-K29 PolarHBondContact O-N 3.13Å; Y7-K29 WeakPolarHBondContact O-CE 3.41Å; L8-K29 HydrophobicContact CD2-CG 4.06Å; R27-K29 PolarHBondContact O-N 3.36Å
30	K	95.7	Very high	94.6	Very high	182 Å²	182	44.8 Å²	44.8	79%	0.791	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-55.2	-176.9	-66	-177.5	179.1	179	0	111.8	N28	N28-K30 VanDerWaalsContact C-N 3.26Å; N28-K30 PolarHBondContact O-N 3.01Å; N28-K30 WeakPolarHBondContact OD1-CA 3.32Å; N28-K30 PolarHBondContact OD1-N 2.87Å
31	S	96.6	Very high	94.8	Very high	76 Å²	76	45.1 Å²	45.1	53%	0.531	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-19.1	-174.6	64.2	0	0	0	0	113.4	N28 E33	N28-S31 VanDerWaalsContact CB-OG 3.27Å; N28-S31 WeakPolarHBondContact CB-OG 3.46Å; N28-S31 VanDerWaalsContact CG-OG 3.25Å; N28-S31 PolarHBondContact OD1-N 3.32Å; N28-S31 PolarHBondContact OD1-OG 3Å; S31-E33 PolarHBondContact O-N 2.97Å; S31-E33 VanDerWaalsContact OG-CB 3.28Å; S31-E33 WeakPolarHBondContact OG-CB 3.44Å; S31-E33 PolarHBondContact OG-N 3.27Å
32	G	95.8	Very high	94.5	Very high	28 Å²	28	49.9 Å²	49.9	29%	0.289	26%	0.255	S	S	.	.			trans	72.4	3.8	-171.2	0	0	0	0	0	113.8	R27 N28	R27-G32 VanDerWaalsContact CD-O 3.31Å; R27-G32 WeakPolarHBondContact CD-O 3.34Å; R27-G32 VanDerWaalsContact CG-C 3.41Å; R27-G32 WeakPolarHBondContact CG-O 3.38Å; R27-G32 PolarHBondContact NH1-O 2.95Å; N28-G32 VanDerWaalsContact O-CA 3.28Å; N28-G32 WeakPolarHBondContact O-CA 3.45Å; N28-G32 PolarHBondContact O-N 2.85Å
33	E	96.4	Very high	93.7	Very high	106 Å²	106	53.4 Å²	53.4	50%	0.495	28%	0.276	S	S	.	.			trans	-62.9	138.8	179.1	-174.2	-179.3	-170.7	0	0	111.6	R27 N28 S31	R27-E33 CarbonylContact C-O 3.6Å; R27-E33 VanDerWaalsContact CA-O 3.31Å; R27-E33 WeakPolarHBondContact CA-O 3.3Å; R27-E33 WeakPolarHBondContact CG-O 3.48Å; N28-E33 HydrophobicContact CB-CB 4.35Å; N28-E33 PolarHBondContact N-O 3.42Å; S31-E33 PolarHBondContact O-N 2.97Å; S31-E33 VanDerWaalsContact OG-CB 3.28Å; S31-E33 WeakPolarHBondContact OG-CB 3.44Å; S31-E33 PolarHBondContact OG-N 3.27Å
34	L	97.4	Very high	92.9	Very high	60 Å²	60	52.1 Å²	52.1	31%	0.314	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.7	176.7	-69.6	176.1	0	0	0	110.8	K25 A26 Y88	K25-L34 HydrophobicContact CG-CD2 4.49Å; A26-L34 WeakPolarHBondContact O-CA 3.36Å; L34-Y88 HydrophobicContact CB-CD1 3.85Å; L34-Y88 HydrophobicContact CD1-CD1 4.28Å; L34-Y88 HydrophobicContact CD1-CE1 4.17Å
35	V	97.6	Very high	92	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	165.5	178.9	-56.3	0	0	0	0	110.6	Y7 A26 V37 F71 V85	Y7-V35 HydrophobicContact CD1-CG2 3.6Å; Y7-V35 HydrophobicContact CE1-CG1 4.07Å; Y7-V35 HydrophobicContact CE1-CG2 3.92Å; A26-V35 HydrophobicContact CB-CG2 3.79Å; A26-V35 PolarHBondContact N-O 3.24Å; A26-V35 PolarHBondContact O-N 2.7Å; V35-V37 HydrophobicContact CG2-CG2 4.2Å; V35-F71 HydrophobicContact CG1-CD2 4.02Å; V35-F71 HydrophobicContact CG1-CE2 4.01Å; V35-V85 HydrophobicContact CB-CG1 4.03Å; V35-V85 HydrophobicContact CG1-CG1 4.38Å; V35-V85 HydrophobicContact CG2-CG1 3.77Å
36	A	97.6	Very high	91.1	Very high	7 Å²	7	57.9 Å²	57.9	6%	0.058	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.9	169.9	0	0	0	0	0	109.3	L15 V23 Y24 M86	L15-A36 HydrophobicContact CD1-CB 4.23Å; V23-A36 HydrophobicContact CG1-CB 4.11Å; Y24-A36 CarbonylContact O-C 3.58Å; Y24-A36 WeakPolarHBondContact O-CA 3.05Å; A36-M86 HydrophobicContact CB-CB 4.48Å; A36-M86 PolarHBondContact N-O 3.2Å; A36-M86 PolarHBondContact O-N 3.01Å
37	V	96.4	Very high	90.2	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.6	177.9	175.7	0	0	0	0	109.6	W9 V23 Y24 A26 V35 V39 V83 L84 V85	W9-V37 HydrophobicContact CD2-CG1 4.43Å; W9-V37 HydrophobicContact CE3-CB 4.35Å; W9-V37 HydrophobicContact CE3-CG1 4.17Å; W9-V37 HydrophobicContact CE3-CG2 4.25Å; W9-V37 HydrophobicContact CH2-CG1 4Å; W9-V37 HydrophobicContact CZ2-CG1 4.24Å; W9-V37 HydrophobicContact CZ3-CG1 3.96Å; W9-V37 HydrophobicContact CZ3-CG2 4.46Å; V23-V37 CarbonylContact C-O 3.52Å; V23-V37 WeakPolarHBondContact CA-O 3.35Å; Y24-V37 PolarHBondContact N-O 2.9Å; Y24-V37 PolarHBondContact O-N 2.8Å; A26-V37 HydrophobicContact CB-CB 4.11Å; A26-V37 HydrophobicContact CB-CG2 3.41Å; A26-V37 VanDerWaalsContact CB-CG2 3.41Å; V35-V37 HydrophobicContact CG2-CG2 4.2Å; V37-V39 HydrophobicContact CG1-CG2 3.95Å; V37-V83 HydrophobicContact CG1-CB 3.8Å; V37-V83 HydrophobicContact CG1-CG1 4.29Å; V37-V83 HydrophobicContact CG1-CG2 3.96Å; V37-L84 CarbonylContact C-O 3.57Å; V37-L84 WeakPolarHBondContact CA-O 3.45Å; V37-V85 HydrophobicContact CG2-CG1 4.46Å; V37-V85 HydrophobicContact CG2-CG2 4.36Å
38	K	94.9	Very high	89.4	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.035	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	116.3	173.4	-171.4	176.6	-165.1	-177.9	0	109.5	A21 V23 F40 E55 V83 L84 M86 D157	A21-K38 HydrophobicContact CB-CD 4.13Å; A21-K38 VanDerWaalsContact CB-CE 3.5Å; A21-K38 HydrophobicContact CB-CG 3.61Å; V23-K38 HydrophobicContact CG2-CB 4.17Å; V23-K38 HydrophobicContact CG2-CG 4.01Å; K38-F40 HydrophobicContact CD-CE1 4.44Å; K38-F40 HydrophobicContact CD-CZ 4.44Å; K38-E55 IonicContact NZ-OE1 2.7Å; K38-E55 PolarHBondContact NZ-OE1 3.36Å; K38-E55 IonicContact NZ-OE2 2.93Å; K38-E55 PolarHBondContact NZ-OE2 3.4Å; K38-V83 VanDerWaalsContact O-CA 3.27Å; K38-V83 WeakPolarHBondContact O-CA 3.4Å; K38-V83 WeakPolarHBondContact O-CB 3.5Å; K38-L84 HydrophobicContact CB-CB 4.15Å; K38-L84 HydrophobicContact CD-CD1 4.23Å; K38-L84 PolarHBondContact N-O 3.16Å; K38-L84 PolarHBondContact O-N 3.48Å; K38-M86 HydrophobicContact CB-CE 3.91Å; K38-D157 IonicContact NZ-OD1 2.82Å; K38-D157 PolarHBondContact NZ-OD1 3.24Å
39	V	91.9	Very high	88.5	Confident	14 Å²	14	67 Å²	67	9%	0.085	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.7	179.3	-173.1	0	0	0	0	109	W9 A21 S22 Y24 V37 V83	W9-V39 HydrophobicContact CZ2-CG2 3.72Å; A21-V39 CarbonylContact C-O 3.55Å; A21-V39 VanDerWaalsContact CA-O 3.23Å; A21-V39 WeakPolarHBondContact CA-O 3.43Å; A21-V39 WeakPolarHBondContact CB-O 3.32Å; S22-V39 PolarHBondContact N-O 3.41Å; S22-V39 PolarHBondContact O-N 2.86Å; Y24-V39 HydrophobicContact CD2-CB 4.48Å; Y24-V39 HydrophobicContact CD2-CG2 3.83Å; Y24-V39 HydrophobicContact CE2-CB 4.18Å; Y24-V39 HydrophobicContact CE2-CG2 3.95Å; V37-V39 HydrophobicContact CG1-CG2 3.95Å; V39-V83 HydrophobicContact CB-CG1 4.38Å; V39-V83 HydrophobicContact CG1-CG1 4.3Å; V39-V83 HydrophobicContact CG2-CG1 3.97Å
40	F	88.9	Confident	87.6	Confident	19 Å²	19	69.8 Å²	69.8	8%	0.083	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.5	178.7	-62.5	-78.8	0	0	0	111.5	A21 K38 Y45 K82 L84	A21-F40 HydrophobicContact CB-CD1 4.04Å; A21-F40 HydrophobicContact CB-CE1 4.48Å; K38-F40 HydrophobicContact CD-CE1 4.44Å; K38-F40 HydrophobicContact CD-CZ 4.44Å; F40-Y45 HydrophobicContact CB-CE2 4.07Å; F40-K82 WeakPolarHBondContact CD2-O 3.5Å; F40-L84 HydrophobicContact CE2-CD1 4.4Å; F40-L84 HydrophobicContact CE2-CD2 4.4Å; F40-L84 HydrophobicContact CE2-CG 3.98Å; F40-L84 HydrophobicContact CZ-CD1 3.96Å; F40-L84 HydrophobicContact CZ-CG 4.05Å
41	N	84.4	Confident	86.6	Confident	47 Å²	47	62.2 Å²	62.2	25%	0.251	33%	0.325	S	S	.	.			trans	-79.9	169.8	177.6	66.5	19.4	0	0	0	112.4	A19 T20 T43 S44 Y45	A19-N41 PolarHBondContact O-ND2 2.94Å; T20-N41 VanDerWaalsContact O-CG 3.29Å; T20-N41 PolarHBondContact O-N 3.07Å; T20-N41 PolarHBondContact O-OD1 3.42Å; N41-T43 VanDerWaalsContact C-N 3.26Å; N41-T43 PolarHBondContact O-N 3.44Å; N41-T43 PolarHBondContact OD1-N 3.39Å; N41-S44 WeakPolarHBondContact O-CB 3.47Å; N41-S44 PolarHBondContact O-N 3.18Å; N41-S44 PolarHBondContact OD1-N 3.04Å; N41-S44 PolarHBondContact OD1-OG 2.99Å; N41-Y45 VanDerWaalsContact O-CD2 3.28Å; N41-Y45 WeakPolarHBondContact O-CD2 3.32Å
42	T	81.1	Confident	85.7	Confident	104 Å²	104	61.5 Å²	61.5	64%	0.638	31%	0.314	S	S	*	.	H	α-helix	trans	-56.7	-39.1	-179.5	-45.4	0	0	0	0	112.6	S44 Y45	T42-S44 PolarHBondContact O-N 3.37Å; T42-Y45 WeakPolarHBondContact O-CB 3.35Å; T42-Y45 PolarHBondContact O-N 3.33Å
43	T	75.8	Confident	85	Confident	92 Å²	92	62.1 Å²	62.1	56%	0.564	31%	0.311	S	S	*	.	H	α-helix	trans	-60.1	-34.9	178	-46.2	0	0	0	0	112.2	N41 Y45 L46	N41-T43 VanDerWaalsContact C-N 3.26Å; N41-T43 PolarHBondContact O-N 3.44Å; N41-T43 PolarHBondContact OD1-N 3.39Å; T43-Y45 VanDerWaalsContact C-N 3.29Å; T43-Y45 PolarHBondContact O-N 2.77Å; T43-L46 WeakPolarHBondContact O-CB 3.37Å; T43-L46 PolarHBondContact O-N 3.08Å
44	S	77.4	Confident	84.4	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.028	30%	0.298	C	S	.	.	H	α-helix	trans	-63.9	-33.1	175.8	-76.5	0	0	0	0	113.2	T20 N41 T42 L46 R47	T20-S44 VanDerWaalsContact CA-OG 3.3Å; T20-S44 WeakPolarHBondContact CA-OG 3.47Å; T20-S44 VanDerWaalsContact CB-OG 3.26Å; T20-S44 WeakPolarHBondContact CB-OG 3.19Å; T20-S44 PolarHBondContact O-OG 3.01Å; N41-S44 WeakPolarHBondContact O-CB 3.47Å; N41-S44 PolarHBondContact O-N 3.18Å; N41-S44 PolarHBondContact OD1-N 3.04Å; N41-S44 PolarHBondContact OD1-OG 2.99Å; T42-S44 PolarHBondContact O-N 3.37Å; S44-L46 VanDerWaalsContact C-N 3.26Å; S44-L46 PolarHBondContact O-N 2.69Å; S44-R47 WeakPolarHBondContact O-CB 3.14Å; S44-R47 PolarHBondContact O-N 3.43Å
45	Y	77.3	Confident	83.8	Confident	76 Å²	76	57.2 Å²	57.2	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-74.3	-14.7	177.1	-70.5	-80.3	0	0	0	113.5	F40 N41 T42 T43 R47 Q52 Q81 K82	F40-Y45 HydrophobicContact CB-CE2 4.07Å; N41-Y45 VanDerWaalsContact O-CD2 3.28Å; N41-Y45 WeakPolarHBondContact O-CD2 3.32Å; T42-Y45 WeakPolarHBondContact O-CB 3.35Å; T42-Y45 PolarHBondContact O-N 3.33Å; T43-Y45 VanDerWaalsContact C-N 3.29Å; T43-Y45 PolarHBondContact O-N 2.77Å; Y45-R47 VanDerWaalsContact C-N 3.29Å; Y45-Q52 PolarHBondContact O-NE2 2.99Å; Y45-Q81 HydrophobicContact CE2-CB 4.34Å; Y45-Q81 HydrophobicContact CE2-CG 3.86Å; Y45-Q81 WeakPolarHBondContact OH-CA 3.43Å; Y45-Q81 WeakPolarHBondContact OH-CB 3.5Å; Y45-K82 PolarHBondContact OH-N 3.44Å
46	L	79	Confident	83.3	Confident	144 Å²	144	59.3 Å²	59.3	75%	0.754	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-12.5	172.7	-58.9	176.7	0	0	0	112.7	T43 S44	T43-L46 WeakPolarHBondContact O-CB 3.37Å; T43-L46 PolarHBondContact O-N 3.08Å; S44-L46 VanDerWaalsContact C-N 3.26Å; S44-L46 PolarHBondContact O-N 2.69Å
47	R	78.8	Confident	82.8	Confident	49 Å²	49	62.7 Å²	62.7	19%	0.185	31%	0.308	C	S	.	.	S	Bend	trans	-76	156.4	178.7	-61.4	-171.6	-66.4	168.9	-1.3	110.8	S44 Y45 V51 Q52	S44-R47 WeakPolarHBondContact O-CB 3.14Å; S44-R47 PolarHBondContact O-N 3.43Å; Y45-R47 VanDerWaalsContact C-N 3.29Å; R47-V51 HydrophobicContact CB-CB 4.28Å; R47-V51 HydrophobicContact CB-CG1 4.27Å; R47-Q52 HydrophobicContact CB-CG 4.42Å; R47-Q52 PolarHBondContact O-NE2 2.97Å
48	P	80.6	Confident	82.6	Confident	89 Å²	89	62.8 Å²	62.8	58%	0.578	31%	0.309	S	S	*	.			trans	-53.3	144.2	173.4	-26	34.8	0	0	0	112.1	E50 V51 Q52	P48-E50 PolarHBondContact O-N 3.15Å; P48-E50 VanDerWaalsContact O-N 3.16Å; P48-V51 HydrophobicContact CB-CG2 4.31Å; P48-V51 HydrophobicContact CG-CG2 4.46Å; P48-V51 WeakPolarHBondContact O-CA 3.31Å; P48-V51 WeakPolarHBondContact O-CB 3.43Å; P48-V51 PolarHBondContact O-N 3.32Å; P48-Q52 PolarHBondContact O-N 3.33Å; P48-Q52 VanDerWaalsContact O-N 3.13Å
49	R	78.6	Confident	82.4	Confident	204 Å²	204	62.7 Å²	62.7	77%	0.77	31%	0.309	S	S	*	.	H	α-helix	trans	-52.7	-40.8	-176	-175.3	179.9	178.7	-158.1	-0.7	112.7	V51 Q52 V53	R49-V51 VanDerWaalsContact C-N 3.25Å; R49-V51 PolarHBondContact O-N 3.43Å; R49-Q52 WeakPolarHBondContact O-CB 3.4Å; R49-Q52 PolarHBondContact O-N 3.17Å; R49-Q52 VanDerWaalsContact O-N 3.08Å; R49-V53 WeakPolarHBondContact O-CG2 3.48Å; R49-V53 PolarHBondContact O-N 2.85Å; R49-V53 VanDerWaalsContact O-N 3.09Å
50	E	76.9	Confident	82.3	Confident	156 Å²	156	69.8 Å²	69.8	73%	0.729	33%	0.334	S	S	*	.	H	α-helix	trans	-57	-37.3	176.3	-64.7	168.3	-163.1	0	0	112.7	P48 R54	P48-E50 PolarHBondContact O-N 3.15Å; P48-E50 VanDerWaalsContact O-N 3.16Å; E50-R54 WeakPolarHBondContact O-CB 3.38Å; E50-R54 PolarHBondContact O-N 3.4Å
51	V	76.3	Confident	82.4	Confident	23 Å²	23	73.8 Å²	73.8	14%	0.139	35%	0.351	C	S	.	.	H	α-helix	trans	-76.1	-33.4	177.1	-178.4	0	0	0	0	111.1	R47 P48 R49	R47-V51 HydrophobicContact CB-CB 4.28Å; R47-V51 HydrophobicContact CB-CG1 4.27Å; P48-V51 HydrophobicContact CB-CG2 4.31Å; P48-V51 HydrophobicContact CG-CG2 4.46Å; P48-V51 WeakPolarHBondContact O-CA 3.31Å; P48-V51 WeakPolarHBondContact O-CB 3.43Å; P48-V51 PolarHBondContact O-N 3.32Å; R49-V51 VanDerWaalsContact C-N 3.25Å; R49-V51 PolarHBondContact O-N 3.43Å
52	Q	76.1	Confident	83	Confident	61 Å²	61	72.1 Å²	72.1	29%	0.285	34%	0.343	S	S	.	.	H	α-helix	trans	-66.8	-39	178.4	-61.7	-177.4	31.6	0	0	112.4	Y45 R47 P48 R49	Y45-Q52 PolarHBondContact O-NE2 2.99Å; R47-Q52 HydrophobicContact CB-CG 4.42Å; R47-Q52 PolarHBondContact O-NE2 2.97Å; P48-Q52 PolarHBondContact O-N 3.33Å; P48-Q52 VanDerWaalsContact O-N 3.13Å; R49-Q52 WeakPolarHBondContact O-CB 3.4Å; R49-Q52 PolarHBondContact O-N 3.17Å; R49-Q52 VanDerWaalsContact O-N 3.08Å
53	V	81.7	Confident	83.6	Confident	40 Å²	40	73.2 Å²	73.2	24%	0.242	34%	0.344	C	S	.	.	H	α-helix	trans	-89	-13	-177.5	-58	0	0	0	0	113.6	R49 E55 F56 E57	R49-V53 WeakPolarHBondContact O-CG2 3.48Å; R49-V53 PolarHBondContact O-N 2.85Å; R49-V53 VanDerWaalsContact O-N 3.09Å; V53-E55 PolarHBondContact O-N 3.07Å; V53-F56 WeakPolarHBondContact O-CB 3.38Å; V53-F56 PolarHBondContact O-N 2.9Å; V53-F56 VanDerWaalsContact O-N 3.12Å; V53-E57 PolarHBondContact O-N 3.3Å
54	R	83.5	Confident	84.6	Confident	55 Å²	55	71.9 Å²	71.9	21%	0.208	33%	0.331	C	S	.	.	H	α-helix	trans	-53.9	-50.1	-174	-172.3	-178.6	-61.5	160.8	-5.6	113.7	E50 F56 E57 V58 A161	E50-R54 WeakPolarHBondContact O-CB 3.38Å; E50-R54 PolarHBondContact O-N 3.4Å; R54-F56 PolarHBondContact O-N 3.01Å; R54-E57 PolarHBondContact O-N 3.47Å; R54-V58 HydrophobicContact CG-CG2 4.37Å; R54-V58 WeakPolarHBondContact O-CG2 3.46Å; R54-V58 PolarHBondContact O-N 3.33Å; R54-A161 WeakPolarHBondContact CD-O 3.47Å
55	E	85.8	Confident	85.5	Confident	8 Å²	8	77.6 Å²	77.6	4%	0.037	36%	0.358	C	S	.	.	H	α-helix	trans	-59.9	-37.6	-177.5	-177.9	169	-171.7	0	0	111.5	K38 V53 L59 L84 F158 G159	K38-E55 IonicContact NZ-OE1 2.7Å; K38-E55 PolarHBondContact NZ-OE1 3.36Å; K38-E55 IonicContact NZ-OE2 2.93Å; K38-E55 PolarHBondContact NZ-OE2 3.4Å; V53-E55 PolarHBondContact O-N 3.07Å; E55-L59 HydrophobicContact CG-CD1 4.05Å; E55-L59 WeakPolarHBondContact O-CB 3.45Å; E55-L59 WeakPolarHBondContact O-CG 3.39Å; E55-L59 PolarHBondContact O-N 2.9Å; E55-L84 HydrophobicContact CG-CD1 3.92Å; E55-F158 HydrophobicContact CG-CB 4.07Å; E55-F158 PolarHBondContact OE1-N 2.99Å; E55-G159 VanDerWaalsContact CD-N 3.33Å; E55-G159 PolarHBondContact OE1-N 3.4Å; E55-G159 WeakPolarHBondContact OE2-CA 3.48Å
56	F	85.5	Confident	86.5	Confident	45 Å²	45	74.4 Å²	74.4	20%	0.197	35%	0.346	C	S	.	.	H	α-helix	trans	-67.2	-48.1	176.3	160.5	-110.7	0	0	0	112.4	V53 R54 V58 L59 R60 L70 V73 L84	V53-F56 WeakPolarHBondContact O-CB 3.38Å; V53-F56 PolarHBondContact O-N 2.9Å; V53-F56 VanDerWaalsContact O-N 3.12Å; R54-F56 PolarHBondContact O-N 3.01Å; F56-V58 VanDerWaalsContact C-N 3.32Å; F56-V58 PolarHBondContact O-N 3.29Å; F56-L59 PolarHBondContact O-N 3.42Å; F56-R60 HydrophobicContact CD2-CG 4.04Å; F56-R60 HydrophobicContact CE2-CG 3.77Å; F56-R60 HydrophobicContact CZ-CG 4.2Å; F56-R60 WeakPolarHBondContact O-CG 3.42Å; F56-R60 PolarHBondContact O-N 3.45Å; F56-L70 HydrophobicContact CD2-CD2 4.19Å; F56-V73 HydrophobicContact CD2-CB 4.09Å; F56-V73 HydrophobicContact CD2-CG2 3.17Å; F56-V73 HydrophobicContact CE2-CB 3.86Å; F56-V73 HydrophobicContact CE2-CG1 4.48Å; F56-V73 HydrophobicContact CE2-CG2 3.34Å; F56-V73 HydrophobicContact CG-CG2 4.19Å; F56-L84 HydrophobicContact CB-CD2 4.3Å
57	E	88.6	Confident	87.4	Confident	78 Å²	78	67.8 Å²	67.8	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-39.7	-179.5	-64.2	-56.7	155.1	0	0	111.6	V53 R54 R60	V53-E57 PolarHBondContact O-N 3.3Å; R54-E57 PolarHBondContact O-N 3.47Å; E57-R60 PolarHBondContact O-N 3.02Å
58	V	90.9	Very high	88.3	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.012	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-55.1	173.1	167.8	0	0	0	0	110.3	R54 F56 R60 K61 L62 I131 F158 A161	R54-V58 HydrophobicContact CG-CG2 4.37Å; R54-V58 WeakPolarHBondContact O-CG2 3.46Å; R54-V58 PolarHBondContact O-N 3.33Å; F56-V58 VanDerWaalsContact C-N 3.32Å; F56-V58 PolarHBondContact O-N 3.29Å; V58-R60 PolarHBondContact O-N 3.28Å; V58-K61 PolarHBondContact O-N 3.03Å; V58-L62 HydrophobicContact CG1-CD1 3.95Å; V58-L62 WeakPolarHBondContact O-CG 3.44Å; V58-I131 HydrophobicContact CG1-CD1 3.99Å; V58-I131 HydrophobicContact CG1-CG1 4.37Å; V58-I131 HydrophobicContact CG1-CG2 3.93Å; V58-F158 HydrophobicContact CG1-CB 4.07Å; V58-F158 HydrophobicContact CG1-CD1 3.98Å; V58-F158 HydrophobicContact CG1-CG 4.17Å; V58-A161 HydrophobicContact CG1-CB 4.04Å; V58-A161 HydrophobicContact CG2-CB 4.36Å
59	L	91.1	Very high	89	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-28.4	-177.3	-82.9	169.8	0	0	0	113.5	E55 F56 K61 L62 L70 L84 F158	E55-L59 HydrophobicContact CG-CD1 4.05Å; E55-L59 WeakPolarHBondContact O-CB 3.45Å; E55-L59 WeakPolarHBondContact O-CG 3.39Å; E55-L59 PolarHBondContact O-N 2.9Å; F56-L59 PolarHBondContact O-N 3.42Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 3.29Å; L59-L62 PolarHBondContact O-N 3.01Å; L59-L70 HydrophobicContact CB-CB 4.16Å; L59-L70 HydrophobicContact CB-CD2 3.81Å; L59-L70 HydrophobicContact CB-CG 4.48Å; L59-L70 HydrophobicContact CD1-CD1 4.46Å; L59-L84 HydrophobicContact CD1-CD1 3.92Å; L59-F158 HydrophobicContact CD1-CD2 4.38Å; L59-F158 HydrophobicContact CD2-CD2 3.32Å; L59-F158 HydrophobicContact CD2-CE2 3.56Å; L59-F158 HydrophobicContact CD2-CG 4.21Å; L59-F158 HydrophobicContact CG-CB 4.41Å; L59-F158 HydrophobicContact CG-CD2 3.81Å; L59-F158 HydrophobicContact CG-CG 4.33Å
60	R	90.5	Very high	89.9	Confident	163 Å²	163	58.2 Å²	58.2	62%	0.615	27%	0.269	S	S	*	.	H	α-helix	trans	-67	-26.8	175.8	-82.5	-175.3	69.3	-177.3	10.1	114.1	F56 E57 V58 L62 L70	F56-R60 HydrophobicContact CD2-CG 4.04Å; F56-R60 HydrophobicContact CE2-CG 3.77Å; F56-R60 HydrophobicContact CZ-CG 4.2Å; F56-R60 WeakPolarHBondContact O-CG 3.42Å; F56-R60 PolarHBondContact O-N 3.45Å; E57-R60 PolarHBondContact O-N 3.02Å; V58-R60 PolarHBondContact O-N 3.28Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-L70 HydrophobicContact CG-CD2 4.23Å
61	K	91.4	Very high	90.7	Very high	102 Å²	102	54.5 Å²	54.5	44%	0.443	25%	0.251	S	S	.	.	H	α-helix	trans	-82.4	-17.3	177.2	-64.6	178.8	176	-175.9	0	112.2	V58 L59 E163	V58-K61 PolarHBondContact O-N 3.03Å; L59-K61 VanDerWaalsContact C-N 3.28Å; L59-K61 PolarHBondContact O-N 3.29Å; K61-E163 WeakPolarHBondContact CE-OE1 3.27Å; K61-E163 IonicContact NZ-OE1 3.58Å; K61-E163 PolarHBondContact NZ-OE1 3.46Å; K61-E163 IonicContact NZ-OE2 3.4Å; K61-E163 PolarHBondContact NZ-OE2 3Å
62	L	95.4	Very high	91.5	Very high	13 Å²	13	54.7 Å²	54.7	7%	0.068	25%	0.254	C	S	.	.			trans	-97.3	123.5	-172.5	-60.3	177.4	0	0	0	111.7	V58 L59 R60 I67 L126 N129 I131 F158	V58-L62 HydrophobicContact CG1-CD1 3.95Å; V58-L62 WeakPolarHBondContact O-CG 3.44Å; L59-L62 PolarHBondContact O-N 3.01Å; R60-L62 VanDerWaalsContact C-N 3.34Å; L62-I67 HydrophobicContact CB-CG2 4.07Å; L62-I67 HydrophobicContact CD1-CG2 4.18Å; L62-L126 HydrophobicContact CD1-CD2 3.54Å; L62-L126 HydrophobicContact CD2-CD2 3.7Å; L62-L126 HydrophobicContact CG-CD2 4.28Å; L62-N129 HydrophobicContact CD2-CB 4.29Å; L62-I131 HydrophobicContact CD1-CD1 4.28Å; L62-I131 HydrophobicContact CD2-CD1 3.55Å; L62-I131 HydrophobicContact CG-CD1 3.95Å; L62-F158 HydrophobicContact CD1-CD1 4.09Å; L62-F158 HydrophobicContact CD1-CE1 3.69Å; L62-F158 HydrophobicContact CD1-CE2 4.34Å; L62-F158 HydrophobicContact CD1-CZ 3.83Å
63	N	94.7	Very high	92.3	Very high	127 Å²	127	54 Å²	54	68%	0.679	25%	0.254	S	S	*	.			trans	-147	98.1	170.8	-178.1	31.8	0	0	0	109.7
64	H	97.6	Very high	92.9	Very high	63 Å²	63	53.4 Å²	53.4	29%	0.292	25%	0.249	S	C	.	.			trans	-154.6	153.4	-176.2	-174.8	-100.2	0	0	0	110.7	N66 I67 H125	H64-N66 PolarHBondContact CE1-OD1 2.9Å; H64-N66 PolarHBondContact ND1-N 3.34Å; H64-N66 VanDerWaalsContact ND1-N 3.13Å; H64-N66 PolarHBondContact O-N 2.92Å; H64-I67 HydrophobicContact CB-CB 4.5Å; H64-I67 HydrophobicContact CB-CG1 3.98Å; H64-I67 PolarHBondContact O-N 3.09Å; H64-I67 VanDerWaalsContact O-N 3.12Å; H64-H125 HydrophobicContact CB-CB 4.14Å; H64-H125 VanDerWaalsContact CB-CG 3.49Å; H64-H125 AromaticContact CD2-ND1 3.84Å; H64-H125 AromaticContact CG-CG 3.74Å; H64-H125 AromaticContact CG-ND1 3.88Å
65	Q	96.4	Very high	93.2	Very high	125 Å²	125	54.8 Å²	54.8	58%	0.584	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-35.4	-177.5	-171.3	-178.7	45	0	0	112.1	I152 K154	Q65-I152 HydrophobicContact CG-CG2 4.18Å; Q65-K154 WeakPolarHBondContact O-CE 3.38Å; Q65-K154 WeakPolarHBondContact O-CG 3.43Å; Q65-K154 PolarHBondContact O-NZ 3.31Å
66	N	98.1	Very high	93.3	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.048	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	18.6	-178.7	-54.4	107.5	0	0	0	114.5	H64 C118 A121 Y153 K154 L155	H64-N66 PolarHBondContact CE1-OD1 2.9Å; H64-N66 PolarHBondContact ND1-N 3.34Å; H64-N66 VanDerWaalsContact ND1-N 3.13Å; H64-N66 PolarHBondContact O-N 2.92Å; N66-C118 WeakPolarHBondContact CB-O 3.47Å; N66-C118 VanDerWaalsContact CG-O 3.23Å; N66-C118 WeakPolarHBondContact ND2-CA 3.42Å; N66-C118 WeakPolarHBondContact ND2-CB 3.19Å; N66-C118 PolarHBondContact ND2-SG 3.26Å; N66-C118 VanDerWaalsContact ND2-SG 3.37Å; N66-A121 WeakPolarHBondContact OD1-CB 3.37Å; N66-Y153 PolarHBondContact ND2-O 3.25Å; N66-K154 CarbonylContact O-C 3.05Å; N66-K154 VanDerWaalsContact O-CA 3.29Å; N66-K154 WeakPolarHBondContact O-CA 3.38Å; N66-L155 PolarHBondContact O-N 2.81Å
67	I	98.1	Very high	92.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-120.2	137.3	169.3	-54.6	-63.6	0	0	0	107.8	L62 H64 K69 L126 L155 F158	L62-I67 HydrophobicContact CB-CG2 4.07Å; L62-I67 HydrophobicContact CD1-CG2 4.18Å; H64-I67 HydrophobicContact CB-CB 4.5Å; H64-I67 HydrophobicContact CB-CG1 3.98Å; H64-I67 PolarHBondContact O-N 3.09Å; H64-I67 VanDerWaalsContact O-N 3.12Å; I67-K69 PolarHBondContact O-N 3.02Å; I67-L126 HydrophobicContact CD1-CD2 3.89Å; I67-L126 HydrophobicContact CD1-CG 4.2Å; I67-L155 HydrophobicContact CD1-CB 3.93Å; I67-L155 HydrophobicContact CD1-CD1 4.12Å; I67-L155 HydrophobicContact CD1-CG 4.33Å; I67-F158 HydrophobicContact CD1-CZ 4.18Å; I67-F158 HydrophobicContact CG2-CE2 3.92Å; I67-F158 HydrophobicContact CG2-CZ 3.78Å
68	V	97	Very high	92	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.03	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-63.8	122.7	173.9	168.7	0	0	0	0	109	L70 M86 E87 M142 K154 L155	V68-L70 PolarHBondContact O-N 3.41Å; V68-M86 HydrophobicContact CG1-CB 4.05Å; V68-E87 HydrophobicContact CG1-CB 4.17Å; V68-M142 HydrophobicContact CG2-CB 4.13Å; V68-M142 HydrophobicContact CG2-CG 3.9Å; V68-K154 HydrophobicContact CG2-CB 3.74Å; V68-K154 HydrophobicContact CG2-CD 4.39Å; V68-L155 PolarHBondContact N-O 3.36Å
69	K	95.7	Very high	91	Very high	105 Å²	105	59.3 Å²	59.3	46%	0.457	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-70.6	131.9	-174.3	-170.7	170.6	180	177.9	0	111.4	I67 F71 M86 E87	I67-K69 PolarHBondContact O-N 3.02Å; K69-F71 HydrophobicContact CD-CD1 4.2Å; K69-F71 HydrophobicContact CD-CE1 3.8Å; K69-F71 HydrophobicContact CG-CD1 4.23Å; K69-F71 HydrophobicContact CG-CE1 4.15Å; K69-M86 CarbonylContact O-C 3.5Å; K69-M86 VanDerWaalsContact O-CA 3.26Å; K69-M86 WeakPolarHBondContact O-CA 3.43Å; K69-E87 HydrophobicContact CB-CB 4.09Å; K69-E87 PolarHBondContact N-OE2 3.32Å; K69-E87 PolarHBondContact O-N 3.38Å
70	L	95.8	Very high	90.5	Very high	31 Å²	31	67.6 Å²	67.6	16%	0.162	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	120.2	165.2	-179.7	70.7	0	0	0	108.8	F56 L59 R60 V68 V73 L84 M86	F56-L70 HydrophobicContact CD2-CD2 4.19Å; L59-L70 HydrophobicContact CB-CB 4.16Å; L59-L70 HydrophobicContact CB-CD2 3.81Å; L59-L70 HydrophobicContact CB-CG 4.48Å; L59-L70 HydrophobicContact CD1-CD1 4.46Å; R60-L70 HydrophobicContact CG-CD2 4.23Å; V68-L70 PolarHBondContact O-N 3.41Å; L70-V73 HydrophobicContact CD1-CG2 4.28Å; L70-V73 HydrophobicContact CD2-CG2 4.27Å; L70-L84 HydrophobicContact CD1-CB 3.99Å; L70-L84 HydrophobicContact CD1-CD2 4.34Å; L70-M86 HydrophobicContact CD1-CG 4.2Å
71	F	94.9	Very high	90.1	Very high	79 Å²	79	62.1 Å²	62.1	35%	0.346	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-46.3	176.1	-66.9	-47.8	0	0	0	112.3	V35 K69 V85 E87	V35-F71 HydrophobicContact CG1-CD2 4.02Å; V35-F71 HydrophobicContact CG1-CE2 4.01Å; K69-F71 HydrophobicContact CD-CD1 4.2Å; K69-F71 HydrophobicContact CD-CE1 3.8Å; K69-F71 HydrophobicContact CG-CD1 4.23Å; K69-F71 HydrophobicContact CG-CE1 4.15Å; F71-V85 HydrophobicContact CB-CG1 4.33Å; F71-V85 HydrophobicContact CD2-CG1 4.48Å; F71-V85 PolarHBondContact N-O 3.35Å; F71-E87 HydrophobicContact CE2-CB 4.24Å; F71-E87 HydrophobicContact CZ-CB 4.2Å
72	A	93.5	Very high	89.9	Confident	26 Å²	26	61.5 Å²	61.5	22%	0.215	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	161.9	-175.9	0	0	0	0	0	111.7	E74 V85	A72-E74 HydrophobicContact CB-CG 4.35Å; A72-V85 HydrophobicContact CB-CB 4.23Å; A72-V85 HydrophobicContact CB-CG2 4.35Å; A72-V85 PolarHBondContact N-O 2.99Å; A72-V85 PolarHBondContact O-N 3.05Å
73	V	92.6	Very high	89.7	Confident	47 Å²	47	60.9 Å²	60.9	29%	0.285	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.9	162.6	175.8	0	0	0	0	108.2	F56 L70 V83 L84	F56-V73 HydrophobicContact CD2-CB 4.09Å; F56-V73 HydrophobicContact CD2-CG2 3.17Å; F56-V73 HydrophobicContact CE2-CB 3.86Å; F56-V73 HydrophobicContact CE2-CG1 4.48Å; F56-V73 HydrophobicContact CE2-CG2 3.34Å; F56-V73 HydrophobicContact CG-CG2 4.19Å; L70-V73 HydrophobicContact CD1-CG2 4.28Å; L70-V73 HydrophobicContact CD2-CG2 4.27Å; V73-V83 WeakPolarHBondContact CA-O 3.48Å; V73-L84 HydrophobicContact CG1-CD2 4.43Å; V73-L84 HydrophobicContact CG2-CD2 3.47Å; V73-L84 VanDerWaalsContact CG2-CD2 3.47Å
74	E	92.9	Very high	89.7	Confident	28 Å²	28	55 Å²	55	13%	0.131	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	170.8	-177.4	-64.2	-160.3	172.5	0	0	111	T4 A5 N6 Y7 A72 K82 V83	T4-E74 WeakPolarHBondContact CB-OE2 3.35Å; T4-E74 HydrophobicContact CG2-CB 3.94Å; T4-E74 PolarHBondContact OG1-OE2 3.2Å; A5-E74 PolarHBondContact N-OE2 3.2Å; N6-E74 WeakPolarHBondContact CB-OE1 3.38Å; N6-E74 PolarHBondContact N-OE2 2.9Å; N6-E74 VanDerWaalsContact N-OE2 3.14Å; N6-E74 PolarHBondContact ND2-OE1 2.86Å; Y7-E74 WeakPolarHBondContact CD2-OE2 3.38Å; Y7-E74 WeakPolarHBondContact CE2-OE1 3.48Å; A72-E74 HydrophobicContact CB-CG 4.35Å; E74-K82 CarbonylContact O-C 3.54Å; E74-K82 WeakPolarHBondContact O-CA 3.44Å; E74-V83 HydrophobicContact CB-CG2 4.2Å; E74-V83 PolarHBondContact N-O 3.08Å; E74-V83 VanDerWaalsContact N-O 3.15Å; E74-V83 PolarHBondContact O-N 3.08Å
75	E	90.8	Very high	89.7	Confident	84 Å²	84	52 Å²	52	39%	0.393	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	142.8	173.1	-66.9	-178.3	179.3	0	0	110.1	T4 R80 Q81	T4-E75 WeakPolarHBondContact CB-O 3.48Å; T4-E75 WeakPolarHBondContact CG2-O 3.41Å; E75-R80 IonicContact OE2-CZ 2.69Å; E75-R80 IonicContact OE2-NE 2.81Å; E75-R80 PolarHBondContact OE2-NE 3.44Å; E75-R80 IonicContact OE2-NH2 3.85Å; E75-R80 PolarHBondContact OE2-NH2 2.84Å; E75-Q81 CarbonylContact C-O 3.53Å; E75-Q81 WeakPolarHBondContact CA-O 3.48Å
76	T	87.9	Confident	89.7	Confident	9 Å²	9	46.6 Å²	46.6	6%	0.055	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-67.3	141.1	167.2	56.4	0	0	0	0	110.2	W9 G78 S79 R80 Q81 V83	W9-T76 HydrophobicContact CH2-CG2 4.13Å; W9-T76 HydrophobicContact CZ2-CG2 4.34Å; T76-G78 PolarHBondContact O-N 3.4Å; T76-S79 PolarHBondContact OG1-OG 3.44Å; T76-R80 VanDerWaalsContact O-CA 3.3Å; T76-R80 WeakPolarHBondContact O-CA 3.44Å; T76-R80 PolarHBondContact O-N 3.03Å; T76-R80 VanDerWaalsContact O-N 3.07Å; T76-R80 PolarHBondContact OG1-N 3.38Å; T76-Q81 HydrophobicContact CG2-CB 4.34Å; T76-Q81 PolarHBondContact N-O 2.59Å; T76-Q81 WeakPolarHBondContact OG1-CB 3.2Å; T76-Q81 PolarHBondContact OG1-N 2.96Å; T76-V83 HydrophobicContact CG2-CG1 3.81Å
77	G	75.1	Confident	89.6	Confident	67 Å²	67	48 Å²	48	69%	0.691	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-44.7	-173.7	0	0	0	0	0	114.4	S3	S3-G77 PolarHBondContact O-N 2.77Å
78	G	71.1	Confident	89.5	Confident	84 Å²	84	50.1 Å²	50.1	87%	0.866	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-41	-174.4	0	0	0	0	0	115.2	T76	T76-G78 PolarHBondContact O-N 3.4Å
79	S	70.6	Confident	89.5	Confident	68 Å²	68	50.2 Å²	50.2	48%	0.476	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-3.6	-173.8	55.1	0	0	0	0	114	T76 Q81	T76-S79 PolarHBondContact OG1-OG 3.44Å; S79-Q81 PolarHBondContact O-N 3.13Å; S79-Q81 WeakPolarHBondContact OG-CG 3.44Å; S79-Q81 PolarHBondContact OG-OE1 3.49Å
80	R	79.8	Confident	89.3	Confident	181 Å²	181	48.9 Å²	48.9	68%	0.683	28%	0.283	S	S	*	.			trans	47.3	30.8	-173.5	-56.5	-169.5	75.2	162.4	5.1	113.3	E75 T76	E75-R80 IonicContact OE2-CZ 2.69Å; E75-R80 IonicContact OE2-NE 2.81Å; E75-R80 PolarHBondContact OE2-NE 3.44Å; E75-R80 IonicContact OE2-NH2 3.85Å; E75-R80 PolarHBondContact OE2-NH2 2.84Å; T76-R80 VanDerWaalsContact O-CA 3.3Å; T76-R80 WeakPolarHBondContact O-CA 3.44Å; T76-R80 PolarHBondContact O-N 3.03Å; T76-R80 VanDerWaalsContact O-N 3.07Å; T76-R80 PolarHBondContact OG1-N 3.38Å
81	Q	83	Confident	89.2	Confident	47 Å²	47	49.2 Å²	49.2	22%	0.22	29%	0.288	C	S	.	.			trans	-77.4	129.1	178.9	-73.9	175.9	-52.8	0	0	108.4	Y45 E75 T76 S79	Y45-Q81 HydrophobicContact CE2-CB 4.34Å; Y45-Q81 HydrophobicContact CE2-CG 3.86Å; Y45-Q81 WeakPolarHBondContact OH-CA 3.43Å; Y45-Q81 WeakPolarHBondContact OH-CB 3.5Å; E75-Q81 CarbonylContact C-O 3.53Å; E75-Q81 WeakPolarHBondContact CA-O 3.48Å; T76-Q81 HydrophobicContact CG2-CB 4.34Å; T76-Q81 PolarHBondContact N-O 2.59Å; T76-Q81 WeakPolarHBondContact OG1-CB 3.2Å; T76-Q81 PolarHBondContact OG1-N 2.96Å; S79-Q81 PolarHBondContact O-N 3.13Å; S79-Q81 WeakPolarHBondContact OG-CG 3.44Å; S79-Q81 PolarHBondContact OG-OE1 3.49Å
82	K	86.8	Confident	89.2	Confident	90 Å²	90	46.6 Å²	46.6	39%	0.391	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	139.2	172.7	-68.9	-170.9	177	-171.1	0	109.7	F40 Y45 E74	F40-K82 WeakPolarHBondContact CD2-O 3.5Å; Y45-K82 PolarHBondContact OH-N 3.44Å; E74-K82 CarbonylContact O-C 3.54Å; E74-K82 WeakPolarHBondContact O-CA 3.44Å
83	V	92	Very high	89.4	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.1	173.5	-55.2	0	0	0	0	109.9	T4 W9 V37 K38 V39 V73 E74 T76	T4-V83 HydrophobicContact CG2-CG2 3.49Å; T4-V83 VanDerWaalsContact CG2-CG2 3.49Å; W9-V83 HydrophobicContact CH2-CG1 4.47Å; V37-V83 HydrophobicContact CG1-CB 3.8Å; V37-V83 HydrophobicContact CG1-CG1 4.29Å; V37-V83 HydrophobicContact CG1-CG2 3.96Å; K38-V83 VanDerWaalsContact O-CA 3.27Å; K38-V83 WeakPolarHBondContact O-CA 3.4Å; K38-V83 WeakPolarHBondContact O-CB 3.5Å; V39-V83 HydrophobicContact CB-CG1 4.38Å; V39-V83 HydrophobicContact CG1-CG1 4.3Å; V39-V83 HydrophobicContact CG2-CG1 3.97Å; V73-V83 WeakPolarHBondContact CA-O 3.48Å; E74-V83 HydrophobicContact CB-CG2 4.2Å; E74-V83 PolarHBondContact N-O 3.08Å; E74-V83 VanDerWaalsContact N-O 3.15Å; E74-V83 PolarHBondContact O-N 3.08Å; T76-V83 HydrophobicContact CG2-CG1 3.81Å
84	L	94.6	Very high	89.6	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	124.8	171.8	-51.1	-178.2	0	0	0	108.7	V37 K38 F40 E55 F56 L59 L70 V73 M86	V37-L84 CarbonylContact C-O 3.57Å; V37-L84 WeakPolarHBondContact CA-O 3.45Å; K38-L84 HydrophobicContact CB-CB 4.15Å; K38-L84 HydrophobicContact CD-CD1 4.23Å; K38-L84 PolarHBondContact N-O 3.16Å; K38-L84 PolarHBondContact O-N 3.48Å; F40-L84 HydrophobicContact CE2-CD1 4.4Å; F40-L84 HydrophobicContact CE2-CD2 4.4Å; F40-L84 HydrophobicContact CE2-CG 3.98Å; F40-L84 HydrophobicContact CZ-CD1 3.96Å; F40-L84 HydrophobicContact CZ-CG 4.05Å; E55-L84 HydrophobicContact CG-CD1 3.92Å; F56-L84 HydrophobicContact CB-CD2 4.3Å; L59-L84 HydrophobicContact CD1-CD1 3.92Å; L70-L84 HydrophobicContact CD1-CB 3.99Å; L70-L84 HydrophobicContact CD1-CD2 4.34Å; V73-L84 HydrophobicContact CG1-CD2 4.43Å; V73-L84 HydrophobicContact CG2-CD2 3.47Å; V73-L84 VanDerWaalsContact CG2-CD2 3.47Å; L84-M86 HydrophobicContact CB-CG 4.17Å; L84-M86 HydrophobicContact CB-SD 4.3Å
85	V	96.5	Very high	89.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.2	173.4	-171.9	0	0	0	0	108.2	Y7 V35 V37 F71 A72	Y7-V85 HydrophobicContact CD1-CG1 3.95Å; Y7-V85 HydrophobicContact CD2-CG1 4.2Å; Y7-V85 HydrophobicContact CD2-CG2 3.76Å; Y7-V85 HydrophobicContact CE1-CG1 3.63Å; Y7-V85 HydrophobicContact CE2-CB 4.31Å; Y7-V85 HydrophobicContact CE2-CG1 3.92Å; Y7-V85 HydrophobicContact CE2-CG2 3.85Å; Y7-V85 HydrophobicContact CG-CG1 4.22Å; Y7-V85 HydrophobicContact CG-CG2 4.29Å; V35-V85 HydrophobicContact CB-CG1 4.03Å; V35-V85 HydrophobicContact CG1-CG1 4.38Å; V35-V85 HydrophobicContact CG2-CG1 3.77Å; V37-V85 HydrophobicContact CG2-CG1 4.46Å; V37-V85 HydrophobicContact CG2-CG2 4.36Å; F71-V85 HydrophobicContact CB-CG1 4.33Å; F71-V85 HydrophobicContact CD2-CG1 4.48Å; F71-V85 PolarHBondContact N-O 3.35Å; A72-V85 HydrophobicContact CB-CB 4.23Å; A72-V85 HydrophobicContact CB-CG2 4.35Å; A72-V85 PolarHBondContact N-O 2.99Å; A72-V85 PolarHBondContact O-N 3.05Å
86	M	96.6	Very high	89.9	Confident	11 Å²	11	44.2 Å²	44.2	5%	0.054	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.6	-168.5	-55.6	179.6	-58.3	0	0	111.5	V23 A36 K38 V68 K69 L70 L84 Y88	V23-M86 HydrophobicContact CG1-CE 4.46Å; A36-M86 HydrophobicContact CB-CB 4.48Å; A36-M86 PolarHBondContact N-O 3.2Å; A36-M86 PolarHBondContact O-N 3.01Å; K38-M86 HydrophobicContact CB-CE 3.91Å; V68-M86 HydrophobicContact CG1-CB 4.05Å; K69-M86 CarbonylContact O-C 3.5Å; K69-M86 VanDerWaalsContact O-CA 3.26Å; K69-M86 WeakPolarHBondContact O-CA 3.43Å; L70-M86 HydrophobicContact CD1-CG 4.2Å; L84-M86 HydrophobicContact CB-CG 4.17Å; L84-M86 HydrophobicContact CB-SD 4.3Å; M86-Y88 PolarHBondContact O-N 3.12Å
87	E	96.3	Very high	90.3	Very high	40 Å²	40	45 Å²	45	19%	0.187	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	129.6	169.6	179.1	179.4	-159	0	0	111.5	V68 K69 F71 L144 K154	V68-E87 HydrophobicContact CG1-CB 4.17Å; K69-E87 HydrophobicContact CB-CB 4.09Å; K69-E87 PolarHBondContact N-OE2 3.32Å; K69-E87 PolarHBondContact O-N 3.38Å; F71-E87 HydrophobicContact CE2-CB 4.24Å; F71-E87 HydrophobicContact CZ-CB 4.2Å; E87-L144 VanDerWaalsContact OE1-CD1 3.29Å; E87-L144 WeakPolarHBondContact OE1-CD1 3.38Å; E87-K154 VanDerWaalsContact OE1-CE 3.32Å; E87-K154 WeakPolarHBondContact OE1-CE 3.42Å; E87-K154 IonicContact OE1-NZ 3.86Å; E87-K154 PolarHBondContact OE1-NZ 3.03Å; E87-K154 VanDerWaalsContact OE1-NZ 3.13Å; E87-K154 WeakPolarHBondContact OE2-CD 3.19Å; E87-K154 WeakPolarHBondContact OE2-CE 3.45Å; E87-K154 IonicContact OE2-NZ 3.37Å; E87-K154 PolarHBondContact OE2-NZ 3.31Å
88	Y	96.6	Very high	91.3	Very high	48 Å²	48	42.2 Å²	42.2	19%	0.188	25%	0.248	C	C	.	.			trans	-88.1	110.4	176.5	174.7	-123.1	0	0	0	111.2	L15 K25 L34 M86 S90	L15-Y88 HydrophobicContact CD1-CD2 3.76Å; L15-Y88 HydrophobicContact CD1-CE2 3.64Å; L15-Y88 HydrophobicContact CD2-CE2 3.84Å; L15-Y88 HydrophobicContact CG-CE2 4.41Å; K25-Y88 HydrophobicContact CD-CE1 4.31Å; K25-Y88 HydrophobicContact CD-CE2 4.41Å; K25-Y88 HydrophobicContact CG-CE1 4.47Å; K25-Y88 HydrophobicContact CG-CE2 4.21Å; L34-Y88 HydrophobicContact CB-CD1 3.85Å; L34-Y88 HydrophobicContact CD1-CD1 4.28Å; L34-Y88 HydrophobicContact CD1-CE1 4.17Å; M86-Y88 PolarHBondContact O-N 3.12Å; Y88-S90 PolarHBondContact O-N 3.37Å
89	C	95.7	Very high	92.4	Very high	7 Å²	7	41.9 Å²	41.9	5%	0.047	22%	0.224	C	C	.	.			trans	-86.3	96.9	174.5	-63.3	0	0	0	0	111	S91 G92 M142 L144	C89-S91 PolarHBondContact O-N 3.22Å; C89-G92 PolarHBondContact O-N 3.44Å; C89-M142 HydrophobicContact CB-CB 3.67Å; C89-M142 HydrophobicContact CB-CE 3.82Å; C89-M142 HydrophobicContact CB-CG 4.32Å; C89-M142 VanDerWaalsContact SG-CB 3.54Å; C89-L144 HydrophobicContact CB-CD2 4.22Å; C89-L144 HydrophobicContact CB-CG 4.23Å
90	S	92.4	Very high	93.5	Very high	76 Å²	76	40.3 Å²	40.3	53%	0.531	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.9	-172.7	61	0	0	0	0	114.9	Y88 G92	Y88-S90 PolarHBondContact O-N 3.37Å; S90-G92 VanDerWaalsContact C-N 3.34Å
91	S	94.4	Very high	94.2	Very high	38 Å²	38	32 Å²	32	27%	0.266	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	14.4	-176.1	-58	0	0	0	0	114.1	C89 R143 V145	C89-S91 PolarHBondContact O-N 3.22Å; S91-R143 WeakPolarHBondContact CB-O 3.19Å; S91-R143 PolarHBondContact N-O 2.89Å; S91-V145 WeakPolarHBondContact OG-CG2 3.24Å
92	G	94.3	Very high	94.8	Very high	24 Å²	24	33.9 Å²	33.9	25%	0.247	19%	0.192	C	C	.	.			trans	73	-153.9	178.6	0	0	0	0	0	112.8	C89 S90 R143	C89-G92 PolarHBondContact O-N 3.44Å; S90-G92 VanDerWaalsContact C-N 3.34Å; G92-R143 PolarHBondContact O-N 3.5Å
93	S	96.5	Very high	95.3	Very high	14 Å²	14	30.6 Å²	30.6	10%	0.098	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-109.5	165.8	179.9	61.9	0	0	0	0	112.2	L95 S96 V97 I141	S93-L95 PolarHBondContact O-N 2.92Å; S93-S96 PolarHBondContact N-OG 2.96Å; S93-S96 WeakPolarHBondContact O-CA 3.4Å; S93-S96 WeakPolarHBondContact O-CB 3.37Å; S93-S96 PolarHBondContact O-N 3.46Å; S93-S96 PolarHBondContact OG-N 2.97Å; S93-S96 PolarHBondContact OG-OG 3.32Å; S93-V97 PolarHBondContact O-N 3.45Å; S93-V97 VanDerWaalsContact O-N 3.16Å; S93-I141 CarbonylContact C-O 3.59Å; S93-I141 VanDerWaalsContact CA-O 3.26Å; S93-I141 WeakPolarHBondContact CA-O 3.38Å; S93-I141 WeakPolarHBondContact CB-O 3.33Å
94	L	98	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-55.2	-34.7	170.5	178.4	61.4	0	0	0	111.1	S96 V97 L98 L107 V115 P138 I141 Y153 T210	L94-S96 VanDerWaalsContact C-N 3.29Å; L94-S96 PolarHBondContact O-N 3.2Å; L94-V97 WeakPolarHBondContact O-CB 3.36Å; L94-V97 PolarHBondContact O-N 2.72Å; L94-V97 VanDerWaalsContact O-N 3.15Å; L94-L98 HydrophobicContact CD1-CG 4.33Å; L94-L98 HydrophobicContact CG-CD1 4.19Å; L94-L98 HydrophobicContact CG-CG 4.41Å; L94-L98 WeakPolarHBondContact O-CG 3.34Å; L94-L98 PolarHBondContact O-N 3.38Å; L94-L107 HydrophobicContact CD1-CD1 4.08Å; L94-V115 HydrophobicContact CD1-CG2 3.85Å; L94-V115 HydrophobicContact CD2-CG1 3.91Å; L94-V115 HydrophobicContact CD2-CG2 4.46Å; L94-P138 HydrophobicContact CB-CB 4.2Å; L94-P138 WeakPolarHBondContact CB-O 3.33Å; L94-P138 HydrophobicContact CD2-CB 4.27Å; L94-P138 HydrophobicContact CG-CB 4.07Å; L94-P138 PolarHBondContact N-O 3.45Å; L94-I141 HydrophobicContact CB-CB 4.02Å; L94-I141 HydrophobicContact CB-CG2 4.18Å; L94-I141 HydrophobicContact CD2-CB 4.43Å; L94-I141 HydrophobicContact CD2-CD1 3.96Å; L94-I141 HydrophobicContact CD2-CG2 4.4Å; L94-I141 PolarHBondContact N-O 3.19Å; L94-Y153 HydrophobicContact CB-CD1 4.39Å; L94-Y153 HydrophobicContact CB-CE1 4.03Å; L94-Y153 HydrophobicContact CD1-CE1 3.87Å; L94-Y153 HydrophobicContact CG-CE1 4.49Å; L94-T210 HydrophobicContact CD2-CG2 4.32Å
95	L	95.6	Very high	95.5	Very high	59 Å²	59	33.9 Å²	33.9	31%	0.309	20%	0.197	S	C	.	.	H	α-helix	trans	-58.6	-42.4	171.7	-176.7	62.7	0	0	0	111.8	S93 V97 L98 E99 P138	S93-L95 PolarHBondContact O-N 2.92Å; L95-V97 VanDerWaalsContact C-N 3.26Å; L95-V97 PolarHBondContact O-N 2.89Å; L95-L98 PolarHBondContact O-N 3Å; L95-E99 HydrophobicContact CD1-CG 4.41Å; L95-E99 HydrophobicContact CG-CG 4.41Å; L95-E99 WeakPolarHBondContact O-CB 3.45Å; L95-E99 WeakPolarHBondContact O-CG 3.41Å; L95-E99 PolarHBondContact O-N 3.46Å; L95-P138 HydrophobicContact CB-CB 3.88Å; L95-P138 HydrophobicContact CD1-CB 4.4Å; L95-P138 PolarHBondContact N-O 3.33Å
96	S	94	Very high	95.5	Very high	63 Å²	63	33.9 Å²	33.9	44%	0.441	20%	0.197	S	C	.	.	H	α-helix	trans	-63.3	-35.8	177.9	-53	0	0	0	0	111.5	S93 L94	S93-S96 PolarHBondContact N-OG 2.96Å; S93-S96 WeakPolarHBondContact O-CA 3.4Å; S93-S96 WeakPolarHBondContact O-CB 3.37Å; S93-S96 PolarHBondContact O-N 3.46Å; S93-S96 PolarHBondContact OG-N 2.97Å; S93-S96 PolarHBondContact OG-OG 3.32Å; L94-S96 VanDerWaalsContact C-N 3.29Å; L94-S96 PolarHBondContact O-N 3.2Å
97	V	96.6	Very high	95.6	Very high	25 Å²	25	33.4 Å²	33.4	15%	0.152	20%	0.195	C	C	.	.	H	α-helix	trans	-67.1	-47.6	174.9	-179.6	0	0	0	0	110.9	S93 L94 L95 E99 S100 N103 L107	S93-V97 PolarHBondContact O-N 3.45Å; S93-V97 VanDerWaalsContact O-N 3.16Å; L94-V97 WeakPolarHBondContact O-CB 3.36Å; L94-V97 PolarHBondContact O-N 2.72Å; L94-V97 VanDerWaalsContact O-N 3.15Å; L95-V97 VanDerWaalsContact C-N 3.26Å; L95-V97 PolarHBondContact O-N 2.89Å; V97-E99 VanDerWaalsContact C-N 3.27Å; V97-E99 PolarHBondContact O-N 2.96Å; V97-S100 WeakPolarHBondContact O-CB 3.49Å; V97-S100 PolarHBondContact O-N 2.82Å; V97-N103 WeakPolarHBondContact CG1-ND2 3.42Å; V97-N103 PolarHBondContact O-ND2 2.89Å; V97-L107 HydrophobicContact CG1-CD2 3.72Å
98	L	96.4	Very high	95.7	Very high	8 Å²	8	33.8 Å²	33.8	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-68.7	-25.5	178.2	-64	175.1	0	0	0	112.8	L94 L95 S100 L107 P138	L94-L98 HydrophobicContact CD1-CG 4.33Å; L94-L98 HydrophobicContact CG-CD1 4.19Å; L94-L98 HydrophobicContact CG-CG 4.41Å; L94-L98 WeakPolarHBondContact O-CG 3.34Å; L94-L98 PolarHBondContact O-N 3.38Å; L95-L98 PolarHBondContact O-N 3Å; L98-S100 PolarHBondContact O-N 2.94Å; L98-L107 HydrophobicContact CD2-CD1 4.48Å; L98-L107 HydrophobicContact CD2-CD2 3.85Å; L98-L107 HydrophobicContact CD2-CG 3.89Å; L98-P138 HydrophobicContact CD1-CB 4.01Å; L98-P138 HydrophobicContact CD1-CG 3.96Å
99	E	92.8	Very high	95.7	Very high	78 Å²	78	32.7 Å²	32.7	36%	0.364	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.9	174.4	-82.3	-173.2	174.5	0	0	113.7	L95 V97 K416	L95-E99 HydrophobicContact CD1-CG 4.41Å; L95-E99 HydrophobicContact CG-CG 4.41Å; L95-E99 WeakPolarHBondContact O-CB 3.45Å; L95-E99 WeakPolarHBondContact O-CG 3.41Å; L95-E99 PolarHBondContact O-N 3.46Å; V97-E99 VanDerWaalsContact C-N 3.27Å; V97-E99 PolarHBondContact O-N 2.96Å; E99-K416 WeakPolarHBondContact O-CE 3.48Å; E99-K416 PolarHBondContact O-NZ 3.26Å
100	S	94.6	Very high	95.8	Very high	35 Å²	35	37.7 Å²	37.7	25%	0.245	22%	0.224	C	C	.	.	S	Bend	trans	-61.3	132.2	172.1	-175.5	0	0	0	0	110.1	V97 L98 E102 N103	V97-S100 WeakPolarHBondContact O-CB 3.49Å; V97-S100 PolarHBondContact O-N 2.82Å; L98-S100 PolarHBondContact O-N 2.94Å; S100-E102 PolarHBondContact O-N 3.22Å; S100-E102 VanDerWaalsContact O-N 3.11Å; S100-N103 PolarHBondContact O-N 3.41Å
101	P	94.9	Very high	96	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.045	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-55.8	-28.2	175.3	-22.5	30.9	0	0	0	113.6	N103 A104 K416 L419 G420 Y423 Y554	P101-N103 PolarHBondContact O-N 3.36Å; P101-A104 VanDerWaalsContact O-CB 3.25Å; P101-A104 WeakPolarHBondContact O-CB 3.44Å; P101-A104 PolarHBondContact O-N 3.44Å; P101-K416 HydrophobicContact CG-CG 4.31Å; P101-L419 HydrophobicContact CB-CB 3.62Å; P101-L419 HydrophobicContact CG-CB 4.13Å; P101-L419 HydrophobicContact CG-CD1 4.2Å; P101-G420 WeakPolarHBondContact O-CA 3.39Å; P101-Y423 HydrophobicContact CB-CD2 4.02Å; P101-Y423 HydrophobicContact CB-CE2 4.02Å; P101-Y554 HydrophobicContact CG-CD1 4.45Å; P101-Y554 HydrophobicContact CG-CE1 3.91Å; P101-Y554 HydrophobicContact CG-CE2 4.46Å
102	E	95.4	Very high	96.2	Very high	86 Å²	86	33.8 Å²	33.8	40%	0.402	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-59.8	-33.3	176.7	-70.3	170.1	-154.2	0	0	112.3	S100 Y423 R427	S100-E102 PolarHBondContact O-N 3.22Å; S100-E102 VanDerWaalsContact O-N 3.11Å; E102-Y423 HydrophobicContact CB-CD2 4.38Å; E102-Y423 HydrophobicContact CB-CG 4.39Å; E102-Y423 HydrophobicContact CG-CD1 3.61Å; E102-Y423 HydrophobicContact CG-CD2 3.63Å; E102-Y423 HydrophobicContact CG-CE1 3.42Å; E102-Y423 VanDerWaalsContact CG-CE1 3.42Å; E102-Y423 HydrophobicContact CG-CE2 3.47Å; E102-Y423 VanDerWaalsContact CG-CE2 3.47Å; E102-Y423 HydrophobicContact CG-CG 3.68Å; E102-Y423 VanDerWaalsContact OE1-CZ 3.26Å; E102-Y423 PolarHBondContact OE1-OH 2.91Å; E102-R427 PolarHBondContact O-NH1 3.01Å
103	N	96.9	Very high	96.4	Very high	20 Å²	20	34 Å²	34	11%	0.107	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-100.9	15.9	-177.6	-61.5	-38.2	0	0	0	112.9	V97 S100 P101 F105 G106 L107	V97-N103 WeakPolarHBondContact CG1-ND2 3.42Å; V97-N103 PolarHBondContact O-ND2 2.89Å; S100-N103 PolarHBondContact O-N 3.41Å; P101-N103 PolarHBondContact O-N 3.36Å; N103-F105 PolarHBondContact O-N 3.37Å; N103-G106 WeakPolarHBondContact CA-O 3.48Å; N103-G106 PolarHBondContact O-N 2.96Å; N103-L107 HydrophobicContact CB-CD2 4.34Å
104	A	94.9	Very high	96.5	Very high	26 Å²	26	35.2 Å²	35.2	22%	0.215	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21	180	0	0	0	0	0	113.8	P101	P101-A104 VanDerWaalsContact O-CB 3.25Å; P101-A104 WeakPolarHBondContact O-CB 3.44Å; P101-A104 PolarHBondContact O-N 3.44Å
105	F	95.9	Very high	96.5	Very high	47 Å²	47	35.2 Å²	35.2	21%	0.206	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118	27.9	178	-59.4	-76.6	0	0	0	112.8	N103 T216 T266 G420 Q424	N103-F105 PolarHBondContact O-N 3.37Å; F105-T216 VanDerWaalsContact C-C 3.41Å; F105-T216 CarbonylContact C-O 3.47Å; F105-T216 VanDerWaalsContact CA-O 3.3Å; F105-T216 WeakPolarHBondContact CA-O 3.46Å; F105-T266 WeakPolarHBondContact CB-O 3.33Å; F105-T266 HydrophobicContact CD1-CG2 4.13Å; F105-T266 HydrophobicContact CE1-CG2 4.24Å; F105-G420 WeakPolarHBondContact CE2-O 3.46Å; F105-Q424 HydrophobicContact CD2-CB 3.81Å; F105-Q424 HydrophobicContact CD2-CG 4.08Å; F105-Q424 HydrophobicContact CE2-CB 3.75Å; F105-Q424 HydrophobicContact CE2-CG 4.2Å
106	G	97.5	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.			trans	101.5	171.7	179.4	0	0	0	0	0	113.1	N103 A214 T216 G217 Q268	N103-G106 WeakPolarHBondContact CA-O 3.48Å; N103-G106 PolarHBondContact O-N 2.96Å; G106-A214 CarbonylContact C-O 3.38Å; G106-A214 WeakPolarHBondContact CA-O 3.39Å; G106-T216 PolarHBondContact N-O 2.81Å; G106-G217 VanDerWaalsContact CA-N 3.34Å; G106-Q268 PolarHBondContact O-NE2 2.95Å
107	L	98.4	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.			trans	-77.9	153.4	175.9	-63.1	175.2	0	0	0	111.5	L94 V97 L98 N103 E111 F112 V115 A214	L94-L107 HydrophobicContact CD1-CD1 4.08Å; V97-L107 HydrophobicContact CG1-CD2 3.72Å; L98-L107 HydrophobicContact CD2-CD1 4.48Å; L98-L107 HydrophobicContact CD2-CD2 3.85Å; L98-L107 HydrophobicContact CD2-CG 3.89Å; N103-L107 HydrophobicContact CB-CD2 4.34Å; L107-E111 HydrophobicContact CD1-CG 4.29Å; L107-E111 HydrophobicContact CD2-CG 4.37Å; L107-F112 HydrophobicContact CB-CB 4.28Å; L107-V115 HydrophobicContact CD1-CG2 3.78Å; L107-A214 HydrophobicContact CD1-CB 4.03Å; L107-A214 PolarHBondContact N-O 3.28Å
108	P	97.3	Very high	97	Very high	48 Å²	48	34.8 Å²	34.8	31%	0.312	18%	0.179	S	C	.	.			trans	-50.5	148.2	158.4	-26.8	37.6	0	0	0	111.9	D110 E111 F112	P108-D110 WeakPolarHBondContact CB-OD1 3.42Å; P108-D110 PolarHBondContact O-N 3.34Å; P108-E111 HydrophobicContact CB-CB 4.44Å; P108-E111 PolarHBondContact O-N 3.31Å; P108-F112 WeakPolarHBondContact O-CB 3.39Å; P108-F112 PolarHBondContact O-N 3.36Å
109	E	97.8	Very high	97	Very high	25 Å²	25	34.6 Å²	34.6	12%	0.117	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-41.9	-173.7	175.4	162.3	130	0	0	113.4	F112 L113 L269 S270 L273 H323 Y325	E109-F112 PolarHBondContact O-N 3.11Å; E109-L113 HydrophobicContact CG-CD1 4.48Å; E109-L113 WeakPolarHBondContact O-CG 3.39Å; E109-L113 PolarHBondContact O-N 3.48Å; E109-L269 HydrophobicContact CB-CD2 4.13Å; E109-L269 HydrophobicContact CG-CD2 4.5Å; E109-S270 PolarHBondContact OE1-OG 3Å; E109-S270 WeakPolarHBondContact OE2-CA 3.5Å; E109-S270 WeakPolarHBondContact OE2-CB 3.47Å; E109-S270 PolarHBondContact OE2-N 3.43Å; E109-S270 PolarHBondContact OE2-OG 3.46Å; E109-L273 HydrophobicContact CG-CD2 3.71Å; E109-H323 IonicContact OE1-CE1 2.86Å; E109-H323 IonicContact OE1-ND1 2.71Å; E109-H323 PolarHBondContact OE1-ND1 3.26Å; E109-H323 IonicContact OE2-ND1 3.76Å; E109-Y325 VanDerWaalsContact CD-OH 3.23Å; E109-Y325 PolarHBondContact OE1-OH 3.19Å
110	D	96.3	Very high	97.3	Very high	112 Å²	112	31.4 Å²	31.4	60%	0.599	16%	0.163	S	C	*	.	H	α-helix	trans	-60.6	-48.9	175.9	58.4	-34.8	0	0	0	111.8	P108 F112 L113 V114	P108-D110 WeakPolarHBondContact CB-OD1 3.42Å; P108-D110 PolarHBondContact O-N 3.34Å; D110-F112 VanDerWaalsContact C-N 3.34Å; D110-F112 PolarHBondContact O-N 3.41Å; D110-L113 PolarHBondContact O-N 3.05Å; D110-V114 WeakPolarHBondContact O-CG2 3.47Å; D110-V114 PolarHBondContact O-N 2.95Å; D110-V114 VanDerWaalsContact O-N 3.1Å
111	E	97.9	Very high	97.4	Very high	32 Å²	32	31.1 Å²	31.1	15%	0.15	16%	0.163	C	C	.	.	H	α-helix	trans	-66.9	-36.2	178.2	-174	64.3	-164.8	0	0	111.6	L107 P108 V114 V115 R143 S151 Y153	L107-E111 HydrophobicContact CD1-CG 4.29Å; L107-E111 HydrophobicContact CD2-CG 4.37Å; P108-E111 HydrophobicContact CB-CB 4.44Å; P108-E111 PolarHBondContact O-N 3.31Å; E111-V114 WeakPolarHBondContact O-CB 3.36Å; E111-V114 PolarHBondContact O-N 3.36Å; E111-V115 WeakPolarHBondContact O-CG2 3.23Å; E111-V115 PolarHBondContact O-N 2.89Å; E111-R143 IonicContact OE1-NE 3.35Å; E111-S151 WeakPolarHBondContact OE1-CB 3.46Å; E111-S151 PolarHBondContact OE1-OG 2.86Å; E111-S151 PolarHBondContact OE2-OG 3.45Å; E111-Y153 WeakPolarHBondContact OE1-CE2 3.38Å; E111-Y153 PolarHBondContact OE1-OH 3.07Å
112	F	98.7	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-44.1	173.7	178.7	-90	0	0	0	111.8	L107 P108 E109 D110 V114 V115 L116 L211 A214 A215 L269 L273 L277	L107-F112 HydrophobicContact CB-CB 4.28Å; P108-F112 WeakPolarHBondContact O-CB 3.39Å; P108-F112 PolarHBondContact O-N 3.36Å; E109-F112 PolarHBondContact O-N 3.11Å; D110-F112 VanDerWaalsContact C-N 3.34Å; D110-F112 PolarHBondContact O-N 3.41Å; F112-V114 VanDerWaalsContact C-N 3.28Å; F112-V114 PolarHBondContact O-N 3.43Å; F112-V115 WeakPolarHBondContact O-CB 3.48Å; F112-V115 PolarHBondContact O-N 2.87Å; F112-L116 PolarHBondContact O-N 3.4Å; F112-L211 HydrophobicContact CE2-CD2 4.44Å; F112-L211 WeakPolarHBondContact CE2-O 3.45Å; F112-L211 HydrophobicContact CZ-CD2 4.31Å; F112-A214 HydrophobicContact CD2-CB 4.05Å; F112-A214 HydrophobicContact CE2-CB 4.09Å; F112-A215 HydrophobicContact CD2-CB 4.23Å; F112-A215 HydrophobicContact CE2-CB 3.79Å; F112-A215 HydrophobicContact CZ-CB 4.43Å; F112-L269 HydrophobicContact CB-CD2 3.84Å; F112-L269 HydrophobicContact CD1-CD1 4.1Å; F112-L269 HydrophobicContact CD1-CD2 4.16Å; F112-L269 HydrophobicContact CD2-CD1 4.41Å; F112-L269 HydrophobicContact CE1-CD1 4.14Å; F112-L269 HydrophobicContact CE2-CD1 4.45Å; F112-L269 HydrophobicContact CG-CD1 4.24Å; F112-L269 HydrophobicContact CG-CD2 3.9Å; F112-L269 HydrophobicContact CZ-CD1 4.33Å; F112-L273 HydrophobicContact CD1-CD2 3.97Å; F112-L273 HydrophobicContact CE1-CD2 4.38Å; F112-L277 HydrophobicContact CE1-CD1 4.31Å; F112-L277 HydrophobicContact CE1-CD2 3.76Å; F112-L277 HydrophobicContact CE2-CD2 4.24Å; F112-L277 HydrophobicContact CZ-CD1 3.97Å; F112-L277 HydrophobicContact CZ-CD2 3.38Å; F112-L277 HydrophobicContact CZ-CG 4.33Å
113	L	98.5	Very high	97.6	Very high	30 Å²	30	26.9 Å²	26.9	16%	0.157	14%	0.143	C	C	.	.	H	α-helix	trans	-64.4	-33.5	176.3	-72.1	172.6	0	0	0	112.1	E109 D110 L116 R117 L273 I305 L306 Y325	E109-L113 HydrophobicContact CG-CD1 4.48Å; E109-L113 WeakPolarHBondContact O-CG 3.39Å; E109-L113 PolarHBondContact O-N 3.48Å; D110-L113 PolarHBondContact O-N 3.05Å; L113-L116 HydrophobicContact CD2-CD2 4.45Å; L113-L116 PolarHBondContact O-N 3.35Å; L113-R117 VanDerWaalsContact O-CB 3.32Å; L113-R117 WeakPolarHBondContact O-CB 3.45Å; L113-R117 PolarHBondContact O-N 2.91Å; L113-L273 HydrophobicContact CD2-CD1 4.02Å; L113-L273 HydrophobicContact CD2-CD2 4.09Å; L113-L273 HydrophobicContact CG-CD2 4.26Å; L113-I305 HydrophobicContact CD2-CG2 4.23Å; L113-L306 HydrophobicContact CD2-CD2 4.4Å; L113-Y325 HydrophobicContact CD1-CE1 4.5Å
114	V	98.1	Very high	97.6	Very high	38 Å²	38	28.5 Å²	28.5	23%	0.23	15%	0.152	C	C	.	.	H	α-helix	trans	-66.4	-43.6	173.2	174.3	0	0	0	0	111.3	D110 E111 F112 R117 C118 S151 Y153	D110-V114 WeakPolarHBondContact O-CG2 3.47Å; D110-V114 PolarHBondContact O-N 2.95Å; D110-V114 VanDerWaalsContact O-N 3.1Å; E111-V114 WeakPolarHBondContact O-CB 3.36Å; E111-V114 PolarHBondContact O-N 3.36Å; F112-V114 VanDerWaalsContact C-N 3.28Å; F112-V114 PolarHBondContact O-N 3.43Å; V114-R117 PolarHBondContact O-N 3.42Å; V114-C118 WeakPolarHBondContact O-CB 3.44Å; V114-C118 PolarHBondContact O-N 3.44Å; V114-C118 PolarHBondContact O-SG 3.42Å; V114-S151 WeakPolarHBondContact CG1-O 3.5Å; V114-Y153 HydrophobicContact CG1-CD2 4.06Å; V114-Y153 HydrophobicContact CG1-CE2 4.13Å
115	V	98.6	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-50.5	172.2	171.9	0	0	0	0	110.4	L94 L107 E111 F112 R117 C118 V119 Y153	L94-V115 HydrophobicContact CD1-CG2 3.85Å; L94-V115 HydrophobicContact CD2-CG1 3.91Å; L94-V115 HydrophobicContact CD2-CG2 4.46Å; L107-V115 HydrophobicContact CD1-CG2 3.78Å; E111-V115 WeakPolarHBondContact O-CG2 3.23Å; E111-V115 PolarHBondContact O-N 2.89Å; F112-V115 WeakPolarHBondContact O-CB 3.48Å; F112-V115 PolarHBondContact O-N 2.87Å; V115-R117 PolarHBondContact O-N 3.35Å; V115-C118 PolarHBondContact O-N 3.02Å; V115-V119 HydrophobicContact CG1-CG2 4.1Å; V115-V119 WeakPolarHBondContact O-CB 3.36Å; V115-V119 VanDerWaalsContact O-CG2 3.25Å; V115-V119 WeakPolarHBondContact O-CG2 3.27Å; V115-V119 PolarHBondContact O-N 2.97Å; V115-Y153 HydrophobicContact CB-CD2 4.41Å; V115-Y153 HydrophobicContact CB-CE2 4.36Å; V115-Y153 HydrophobicContact CG2-CD2 3.74Å; V115-Y153 HydrophobicContact CG2-CE1 4.17Å; V115-Y153 HydrophobicContact CG2-CE2 3.3Å; V115-Y153 HydrophobicContact CG2-CG 4.35Å
116	L	98.6	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-55.5	-52.7	179.8	-178.8	64.5	0	0	0	110.8	F112 L113 C118 V119 V120 L211 T302 I305 L306	F112-L116 PolarHBondContact O-N 3.4Å; L113-L116 HydrophobicContact CD2-CD2 4.45Å; L113-L116 PolarHBondContact O-N 3.35Å; L116-C118 PolarHBondContact O-N 3.05Å; L116-V119 PolarHBondContact O-N 3.46Å; L116-V120 HydrophobicContact CD1-CG2 3.87Å; L116-V120 HydrophobicContact CG-CG2 4.38Å; L116-V120 WeakPolarHBondContact O-CB 3.3Å; L116-V120 WeakPolarHBondContact O-CG2 3.35Å; L116-V120 PolarHBondContact O-N 2.85Å; L116-L211 HydrophobicContact CD1-CD1 3.98Å; L116-L211 HydrophobicContact CD1-CD2 4.02Å; L116-T302 HydrophobicContact CD1-CG2 4.04Å; L116-I305 HydrophobicContact CD2-CG2 4.3Å; L116-L306 HydrophobicContact CD2-CD2 4.12Å; L116-L306 HydrophobicContact CD2-CG 4.29Å; L116-L306 HydrophobicContact CG-CD1 4.47Å; L116-L306 HydrophobicContact CG-CD2 4.34Å
117	R	98.4	Very high	97.4	Very high	127 Å²	127	29.6 Å²	29.6	48%	0.479	15%	0.15	S	C	.	.	H	α-helix	trans	-56.8	-51.9	179.6	-170.9	-172.3	-50.5	-82.8	-3.5	112.4	L113 V114 V115 A121 L306	L113-R117 VanDerWaalsContact O-CB 3.32Å; L113-R117 WeakPolarHBondContact O-CB 3.45Å; L113-R117 PolarHBondContact O-N 2.91Å; V114-R117 PolarHBondContact O-N 3.42Å; V115-R117 PolarHBondContact O-N 3.35Å; R117-A121 VanDerWaalsContact O-CB 3.28Å; R117-A121 WeakPolarHBondContact O-CB 3.35Å; R117-A121 PolarHBondContact O-N 3.34Å; R117-L306 HydrophobicContact CB-CD1 4.08Å; R117-L306 HydrophobicContact CB-CD2 3.93Å; R117-L306 HydrophobicContact CG-CD1 4.29Å
118	C	98.4	Very high	97.2	Very high	12 Å²	12	36 Å²	36	8%	0.081	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-43.4	-175.5	-71.4	0	0	0	0	112.1	N66 V114 V115 L116 G122 Y153	N66-C118 WeakPolarHBondContact CB-O 3.47Å; N66-C118 VanDerWaalsContact CG-O 3.23Å; N66-C118 WeakPolarHBondContact ND2-CA 3.42Å; N66-C118 WeakPolarHBondContact ND2-CB 3.19Å; N66-C118 PolarHBondContact ND2-SG 3.26Å; N66-C118 VanDerWaalsContact ND2-SG 3.37Å; V114-C118 WeakPolarHBondContact O-CB 3.44Å; V114-C118 PolarHBondContact O-N 3.44Å; V114-C118 PolarHBondContact O-SG 3.42Å; V115-C118 PolarHBondContact O-N 3.02Å; L116-C118 PolarHBondContact O-N 3.05Å; C118-G122 PolarHBondContact O-N 3.48Å; C118-Y153 PolarHBondContact SG-N 3.48Å
119	V	97.9	Very high	97	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-72.1	-41.1	-177.8	-180	0	0	0	0	110.9	V115 L116 A121 G122 M123 I141 L155 I207	V115-V119 HydrophobicContact CG1-CG2 4.1Å; V115-V119 WeakPolarHBondContact O-CB 3.36Å; V115-V119 VanDerWaalsContact O-CG2 3.25Å; V115-V119 WeakPolarHBondContact O-CG2 3.27Å; V115-V119 PolarHBondContact O-N 2.97Å; L116-V119 PolarHBondContact O-N 3.46Å; V119-A121 PolarHBondContact O-N 3.03Å; V119-G122 PolarHBondContact O-N 3.34Å; V119-M123 HydrophobicContact CG1-CG 4.29Å; V119-M123 WeakPolarHBondContact O-CB 3.24Å; V119-M123 VanDerWaalsContact O-CG 3.25Å; V119-M123 WeakPolarHBondContact O-CG 3.35Å; V119-M123 PolarHBondContact O-N 3.49Å; V119-I141 HydrophobicContact CG2-CD1 3.96Å; V119-I141 HydrophobicContact CG2-CG1 4.49Å; V119-I141 HydrophobicContact CG2-CG2 4.03Å; V119-L155 HydrophobicContact CG1-CD2 4.33Å; V119-I207 HydrophobicContact CB-CD1 4.26Å; V119-I207 HydrophobicContact CG1-CD1 3.25Å; V119-I207 HydrophobicContact CG1-CG1 4.25Å
120	V	97.5	Very high	96.7	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-46.1	174.3	168.2	0	0	0	0	111	L116 M123 N124 F298 F299 T302	L116-V120 HydrophobicContact CD1-CG2 3.87Å; L116-V120 HydrophobicContact CG-CG2 4.38Å; L116-V120 WeakPolarHBondContact O-CB 3.3Å; L116-V120 WeakPolarHBondContact O-CG2 3.35Å; L116-V120 PolarHBondContact O-N 2.85Å; V120-M123 PolarHBondContact O-N 3.01Å; V120-N124 WeakPolarHBondContact O-CB 3.42Å; V120-N124 PolarHBondContact O-N 3.16Å; V120-F298 HydrophobicContact CG2-CE1 4.16Å; V120-F298 HydrophobicContact CG2-CZ 4Å; V120-F299 HydrophobicContact CG1-CD1 3.92Å; V120-F299 HydrophobicContact CG1-CE1 4.34Å; V120-T302 HydrophobicContact CG2-CG2 4.04Å
121	A	98.3	Very high	96.5	Very high	29 Å²	29	31.3 Å²	31.3	24%	0.24	16%	0.158	C	C	.	.	H	α-helix	trans	-64.4	-41.3	177.7	0	0	0	0	0	112.4	N66 R117 V119 N124 H125	N66-A121 WeakPolarHBondContact OD1-CB 3.37Å; R117-A121 VanDerWaalsContact O-CB 3.28Å; R117-A121 WeakPolarHBondContact O-CB 3.35Å; R117-A121 PolarHBondContact O-N 3.34Å; V119-A121 PolarHBondContact O-N 3.03Å; A121-N124 PolarHBondContact O-N 3.31Å; A121-H125 PolarHBondContact O-N 3.49Å; A121-H125 VanDerWaalsContact O-N 3.08Å
122	G	97.9	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.9	-43.6	173.2	0	0	0	0	0	112.4	C118 V119 H125 L126	C118-G122 PolarHBondContact O-N 3.48Å; V119-G122 PolarHBondContact O-N 3.34Å; G122-H125 PolarHBondContact O-N 2.89Å; G122-L126 WeakPolarHBondContact O-CG 3.38Å; G122-L126 PolarHBondContact O-N 3Å
123	M	96.6	Very high	95.8	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.02	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-43.2	177.3	-78.1	-59.5	-66.9	0	0	113	V119 V120 H125 L126 R127 I136 L155 D203 F295 F299	V119-M123 HydrophobicContact CG1-CG 4.29Å; V119-M123 WeakPolarHBondContact O-CB 3.24Å; V119-M123 VanDerWaalsContact O-CG 3.25Å; V119-M123 WeakPolarHBondContact O-CG 3.35Å; V119-M123 PolarHBondContact O-N 3.49Å; V120-M123 PolarHBondContact O-N 3.01Å; M123-H125 VanDerWaalsContact C-N 3.3Å; M123-H125 PolarHBondContact O-N 3.2Å; M123-L126 PolarHBondContact O-N 2.74Å; M123-L126 HydrophobicContact SD-CD1 4.13Å; M123-R127 WeakPolarHBondContact O-CB 3.37Å; M123-R127 PolarHBondContact O-N 2.95Å; M123-I136 HydrophobicContact CE-CD1 3.67Å; M123-I136 HydrophobicContact CG-CD1 4.46Å; M123-I136 HydrophobicContact SD-CD1 3.19Å; M123-I136 WeakPolarHBondContact SD-CD1 3.18Å; M123-I136 HydrophobicContact SD-CG1 4.36Å; M123-L155 HydrophobicContact CG-CD1 4.38Å; M123-L155 HydrophobicContact SD-CD1 4.11Å; M123-D203 HydrophobicContact CE-CB 3.71Å; M123-F295 HydrophobicContact CE-CE1 3.69Å; M123-F295 HydrophobicContact CE-CZ 4.24Å; M123-F299 HydrophobicContact CB-CE1 4Å; M123-F299 HydrophobicContact CB-CZ 4.18Å
124	N	96.2	Very high	95.4	Very high	55 Å²	55	28.8 Å²	28.8	29%	0.294	15%	0.146	S	C	.	.	H	α-helix	trans	-60.7	-42.6	175.8	-172.8	60.9	0	0	0	110.9	V120 A121 L126 R127 E128 F299	V120-N124 WeakPolarHBondContact O-CB 3.42Å; V120-N124 PolarHBondContact O-N 3.16Å; A121-N124 PolarHBondContact O-N 3.31Å; N124-L126 VanDerWaalsContact C-N 3.34Å; N124-L126 PolarHBondContact O-N 3.46Å; N124-R127 WeakPolarHBondContact O-CB 3.49Å; N124-R127 PolarHBondContact O-N 2.84Å; N124-R127 VanDerWaalsContact O-N 3.15Å; N124-E128 PolarHBondContact ND2-OE1 3.29Å; N124-E128 WeakPolarHBondContact O-CG 3.3Å; N124-E128 PolarHBondContact O-N 3.46Å; N124-F299 HydrophobicContact CB-CD1 4.37Å; N124-F299 HydrophobicContact CB-CE1 3.93Å; N124-F299 HydrophobicContact CB-CE2 4.38Å; N124-F299 HydrophobicContact CB-CZ 3.94Å
125	H	97.4	Very high	95	Very high	23 Å²	23	27.7 Å²	27.7	11%	0.106	14%	0.139	C	C	.	.	H	α-helix	trans	-62.7	-37.8	175.6	-174.4	80.1	0	0	0	112.9	H64 A121 G122 M123 N129	H64-H125 HydrophobicContact CB-CB 4.14Å; H64-H125 VanDerWaalsContact CB-CG 3.49Å; H64-H125 AromaticContact CD2-ND1 3.84Å; H64-H125 AromaticContact CG-CG 3.74Å; H64-H125 AromaticContact CG-ND1 3.88Å; A121-H125 PolarHBondContact O-N 3.49Å; A121-H125 VanDerWaalsContact O-N 3.08Å; G122-H125 PolarHBondContact O-N 2.89Å; M123-H125 VanDerWaalsContact C-N 3.3Å; M123-H125 PolarHBondContact O-N 3.2Å; H125-N129 PolarHBondContact CE1-ND2 3.38Å; H125-N129 PolarHBondContact NE2-ND2 2.84Å; H125-N129 PolarHBondContact O-N 3.4Å; H125-N129 PolarHBondContact O-ND2 3.01Å
126	L	95.4	Very high	94.9	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-44.4	173	-64.3	-176.6	0	0	0	111.4	L62 I67 G122 M123 N124 N129 G130 I131 H133 L155 F158	L62-L126 HydrophobicContact CD1-CD2 3.54Å; L62-L126 HydrophobicContact CD2-CD2 3.7Å; L62-L126 HydrophobicContact CG-CD2 4.28Å; I67-L126 HydrophobicContact CD1-CD2 3.89Å; I67-L126 HydrophobicContact CD1-CG 4.2Å; G122-L126 WeakPolarHBondContact O-CG 3.38Å; G122-L126 PolarHBondContact O-N 3Å; M123-L126 PolarHBondContact O-N 2.74Å; M123-L126 HydrophobicContact SD-CD1 4.13Å; N124-L126 VanDerWaalsContact C-N 3.34Å; N124-L126 PolarHBondContact O-N 3.46Å; L126-N129 CarbonylContact O-C 3.58Å; L126-N129 PolarHBondContact O-N 2.87Å; L126-N129 VanDerWaalsContact O-N 3.13Å; L126-G130 PolarHBondContact O-N 3.48Å; L126-I131 HydrophobicContact CB-CB 4.38Å; L126-I131 WeakPolarHBondContact CB-O 3.11Å; L126-I131 HydrophobicContact CD2-CB 4.46Å; L126-I131 HydrophobicContact CD2-CG2 4.1Å; L126-I131 PolarHBondContact O-N 3.48Å; L126-H133 HydrophobicContact CD1-CB 4Å; L126-L155 HydrophobicContact CD1-CD1 3.77Å; L126-L155 HydrophobicContact CG-CD1 4.42Å; L126-F158 HydrophobicContact CD1-CE1 4.18Å; L126-F158 HydrophobicContact CD2-CE1 3.65Å; L126-F158 HydrophobicContact CD2-CZ 4.26Å
127	R	91.9	Very high	94.7	Very high	72 Å²	72	29.5 Å²	29.5	27%	0.272	15%	0.146	S	C	.	.	H	α-helix	trans	-61.9	-45.8	179.6	174.1	60.9	177.4	120.7	6.1	112.4	M123 N124 N129 G130 D166 F299	M123-R127 WeakPolarHBondContact O-CB 3.37Å; M123-R127 PolarHBondContact O-N 2.95Å; N124-R127 WeakPolarHBondContact O-CB 3.49Å; N124-R127 PolarHBondContact O-N 2.84Å; N124-R127 VanDerWaalsContact O-N 3.15Å; R127-N129 PolarHBondContact O-N 3.48Å; R127-N129 VanDerWaalsContact O-N 3.13Å; R127-G130 PolarHBondContact O-N 3.12Å; R127-D166 IonicContact CZ-OD1 3.2Å; R127-D166 IonicContact CZ-OD2 2.8Å; R127-D166 IonicContact NE-OD1 3.86Å; R127-D166 IonicContact NH1-OD1 3.65Å; R127-D166 PolarHBondContact NH1-OD1 3.29Å; R127-D166 IonicContact NH1-OD2 2.73Å; R127-D166 PolarHBondContact NH1-OD2 3.48Å; R127-D166 IonicContact NH2-OD1 3.8Å; R127-D166 PolarHBondContact NH2-OD1 3.34Å; R127-D166 IonicContact NH2-OD2 2.97Å; R127-D166 PolarHBondContact NH2-OD2 2.9Å; R127-F299 HydrophobicContact CB-CE2 4.25Å; R127-F299 HydrophobicContact CB-CZ 4.42Å; R127-F299 HydrophobicContact CG-CE2 4.19Å
128	E	93.6	Very high	94.6	Very high	133 Å²	133	23.4 Å²	23.4	62%	0.621	12%	0.124	S	C	*	.	H	α-helix	trans	-58.8	-23.6	175.8	-73.6	170.8	177	0	0	112.9	N124	N124-E128 PolarHBondContact ND2-OE1 3.29Å; N124-E128 WeakPolarHBondContact O-CG 3.3Å; N124-E128 PolarHBondContact O-N 3.46Å
129	N	93.6	Very high	94.4	Very high	58 Å²	58	24 Å²	24	31%	0.31	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	8.7	177.2	-72.2	-89.1	0	0	0	113.4	L62 H125 L126 R127 I131	L62-N129 HydrophobicContact CD2-CB 4.29Å; H125-N129 PolarHBondContact CE1-ND2 3.38Å; H125-N129 PolarHBondContact NE2-ND2 2.84Å; H125-N129 PolarHBondContact O-N 3.4Å; H125-N129 PolarHBondContact O-ND2 3.01Å; L126-N129 CarbonylContact O-C 3.58Å; L126-N129 PolarHBondContact O-N 2.87Å; L126-N129 VanDerWaalsContact O-N 3.13Å; R127-N129 PolarHBondContact O-N 3.48Å; R127-N129 VanDerWaalsContact O-N 3.13Å; N129-I131 VanDerWaalsContact C-N 3.28Å; N129-I131 HydrophobicContact CB-CD1 3.8Å; N129-I131 HydrophobicContact CB-CG1 4.39Å; N129-I131 PolarHBondContact O-N 3.4Å
130	G	90.9	Very high	94.4	Very high	23 Å²	23	24.4 Å²	24.4	24%	0.237	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	26.4	180	0	0	0	0	0	114	L126 R127 E163 L164	L126-G130 PolarHBondContact O-N 3.48Å; R127-G130 PolarHBondContact O-N 3.12Å; G130-E163 CarbonylContact O-C 3.58Å; G130-E163 VanDerWaalsContact O-CA 3.23Å; G130-E163 WeakPolarHBondContact O-CA 3.36Å; G130-L164 PolarHBondContact O-N 2.97Å
131	I	91.8	Very high	94.4	Very high	7 Å²	7	24 Å²	24	4%	0.036	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.9	-174.8	-68.4	157.2	0	0	0	110.6	V58 L62 L126 N129 A161 E163	V58-I131 HydrophobicContact CG1-CD1 3.99Å; V58-I131 HydrophobicContact CG1-CG1 4.37Å; V58-I131 HydrophobicContact CG1-CG2 3.93Å; L62-I131 HydrophobicContact CD1-CD1 4.28Å; L62-I131 HydrophobicContact CD2-CD1 3.55Å; L62-I131 HydrophobicContact CG-CD1 3.95Å; L126-I131 HydrophobicContact CB-CB 4.38Å; L126-I131 WeakPolarHBondContact CB-O 3.11Å; L126-I131 HydrophobicContact CD2-CB 4.46Å; L126-I131 HydrophobicContact CD2-CG2 4.1Å; L126-I131 PolarHBondContact O-N 3.48Å; N129-I131 VanDerWaalsContact C-N 3.28Å; N129-I131 HydrophobicContact CB-CD1 3.8Å; N129-I131 HydrophobicContact CB-CG1 4.39Å; N129-I131 PolarHBondContact O-N 3.4Å; I131-A161 HydrophobicContact CG2-CB 4.25Å; I131-E163 HydrophobicContact CG1-CG 4.04Å
132	V	90.3	Very high	94.4	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.036	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	129.6	169.1	-172.3	0	0	0	0	109	R134 A161 R162 L164 V200 V202 D203	V132-R134 HydrophobicContact CB-CG 4.32Å; V132-R134 HydrophobicContact CG1-CG 3.64Å; V132-A161 CarbonylContact O-C 3.58Å; V132-A161 WeakPolarHBondContact O-CA 3.35Å; V132-R162 PolarHBondContact N-O 2.92Å; V132-R162 PolarHBondContact O-N 3.12Å; V132-L164 HydrophobicContact CB-CD1 4.16Å; V132-L164 HydrophobicContact CG2-CB 4.08Å; V132-L164 HydrophobicContact CG2-CD1 3.86Å; V132-L164 HydrophobicContact CG2-CG 4.4Å; V132-V200 HydrophobicContact CG2-CB 4.09Å; V132-V200 HydrophobicContact CG2-CG1 3.8Å; V132-V202 HydrophobicContact CG1-CG2 4.17Å; V132-D203 VanDerWaalsContact CG1-OD2 3.28Å; V132-D203 WeakPolarHBondContact CG1-OD2 3.45Å
133	H	92.4	Very high	94.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.			trans	-81.2	-45.8	-172.7	-171	-50.7	0	0	0	113.1	L126 D135 I136 T156 D157 F158 A160 A161 D203	L126-H133 HydrophobicContact CD1-CB 4Å; H133-D135 VanDerWaalsContact C-N 3.28Å; H133-D135 PolarHBondContact ND1-N 3Å; H133-D135 PolarHBondContact O-N 3.12Å; H133-I136 HydrophobicContact CB-CD1 4.23Å; H133-I136 HydrophobicContact CB-CG1 3.88Å; H133-T156 PolarHBondContact CE1-O 2.98Å; H133-T156 PolarHBondContact NE2-O 3.35Å; H133-D157 PolarHBondContact CE1-O 3.28Å; H133-D157 VanDerWaalsContact CE1-O 3.22Å; H133-F158 AromaticContact CD2-CD1 3.96Å; H133-F158 AromaticContact CD2-CE1 3.63Å; H133-A160 CarbonylContact O-C 3.59Å; H133-A161 PolarHBondContact O-N 2.77Å; H133-D203 PolarHBondContact N-OD2 3.37Å
134	R	89.8	Confident	94.3	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.011	14%	0.144	C	C	.	.	S	Bend	trans	66.2	8.5	176.7	-49	-175.7	-64.9	176.9	1.4	117.6	V132 A160 A161 F170 S172 V202 D203	V132-R134 HydrophobicContact CB-CG 4.32Å; V132-R134 HydrophobicContact CG1-CG 3.64Å; R134-A160 PolarHBondContact NE-O 3.02Å; R134-A160 PolarHBondContact NH2-O 3.35Å; R134-A161 PolarHBondContact NH2-O 2.99Å; R134-F170 HydrophobicContact CG-CZ 4.29Å; R134-S172 PolarHBondContact NH1-OG 3.11Å; R134-V202 HydrophobicContact CG-CG2 4.32Å; R134-D203 WeakPolarHBondContact CA-OD1 3.29Å; R134-D203 PolarHBondContact N-OD1 3.18Å
135	D	89.9	Confident	94.1	Very high	15 Å²	15	28.7 Å²	28.7	8%	0.08	15%	0.15	C	C	.	.			trans	-150.2	44.3	173.6	-167.1	36.1	0	0	0	110.8	H133 K137 N140 A160 G175 T176	H133-D135 VanDerWaalsContact C-N 3.28Å; H133-D135 PolarHBondContact ND1-N 3Å; H133-D135 PolarHBondContact O-N 3.12Å; D135-K137 PolarHBondContact O-N 3.46Å; D135-K137 IonicContact OD1-NZ 2.82Å; D135-K137 PolarHBondContact OD1-NZ 2.8Å; D135-K137 VanDerWaalsContact OD2-CE 3.26Å; D135-K137 WeakPolarHBondContact OD2-CE 3.33Å; D135-K137 IonicContact OD2-NZ 3.27Å; D135-K137 PolarHBondContact OD2-NZ 2.99Å; D135-N140 PolarHBondContact O-ND2 3.05Å; D135-N140 PolarHBondContact OD2-ND2 3.31Å; D135-A160 HydrophobicContact CB-CB 4.07Å; D135-G175 VanDerWaalsContact OD1-CA 3.26Å; D135-G175 WeakPolarHBondContact OD1-CA 3.44Å; D135-T176 PolarHBondContact OD1-N 3.14Å; D135-T176 VanDerWaalsContact OD1-N 3.14Å; D135-T176 PolarHBondContact OD1-OG1 3.22Å
136	I	95.3	Very high	93.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.154	C	C	.	.			trans	-72.1	123.2	174.5	-59.3	169.1	0	0	0	108.4	M123 H133 D203 S206 I207	M123-I136 HydrophobicContact CE-CD1 3.67Å; M123-I136 HydrophobicContact CG-CD1 4.46Å; M123-I136 HydrophobicContact SD-CD1 3.19Å; M123-I136 WeakPolarHBondContact SD-CD1 3.18Å; M123-I136 HydrophobicContact SD-CG1 4.36Å; H133-I136 HydrophobicContact CB-CD1 4.23Å; H133-I136 HydrophobicContact CB-CG1 3.88Å; I136-D203 HydrophobicContact CD1-CB 3.73Å; I136-S206 WeakPolarHBondContact O-CB 3.27Å; I136-I207 HydrophobicContact CG2-CD1 4.29Å
137	K	95.1	Very high	92.9	Very high	36 Å²	36	38.2 Å²	38.2	16%	0.157	20%	0.199	C	C	.	.	S	Bend	trans	-162.1	161.8	178.7	62.2	-171.3	166.8	-169.1	0	108.7	D135 G139 N140 I141 T176 Y179	D135-K137 PolarHBondContact O-N 3.46Å; D135-K137 IonicContact OD1-NZ 2.82Å; D135-K137 PolarHBondContact OD1-NZ 2.8Å; D135-K137 VanDerWaalsContact OD2-CE 3.26Å; D135-K137 WeakPolarHBondContact OD2-CE 3.33Å; D135-K137 IonicContact OD2-NZ 3.27Å; D135-K137 PolarHBondContact OD2-NZ 2.99Å; K137-G139 PolarHBondContact O-N 3.35Å; K137-N140 WeakPolarHBondContact CE-ND2 3.46Å; K137-N140 WeakPolarHBondContact CE-OD1 3.35Å; K137-N140 HydrophobicContact CG-CB 4.15Å; K137-N140 PolarHBondContact O-N 2.98Å; K137-I141 WeakPolarHBondContact O-CG1 3.46Å; K137-I141 PolarHBondContact O-N 3.12Å; K137-T176 HydrophobicContact CD-CG2 4.1Å; K137-T176 WeakPolarHBondContact CD-OG1 3.42Å; K137-T176 WeakPolarHBondContact CE-OG1 3.49Å; K137-T176 PolarHBondContact NZ-OG1 2.89Å; K137-Y179 HydrophobicContact CB-CD1 4.05Å; K137-Y179 HydrophobicContact CB-CD2 3.95Å; K137-Y179 HydrophobicContact CB-CE1 4.26Å; K137-Y179 HydrophobicContact CB-CE2 4.16Å; K137-Y179 HydrophobicContact CB-CG 3.91Å
138	P	97.2	Very high	92.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-52.4	-30.2	176.3	-28.5	35.4	0	0	0	114.6	L94 L95 L98 N140 I141 Y179 T210	L94-P138 HydrophobicContact CB-CB 4.2Å; L94-P138 WeakPolarHBondContact CB-O 3.33Å; L94-P138 HydrophobicContact CD2-CB 4.27Å; L94-P138 HydrophobicContact CG-CB 4.07Å; L94-P138 PolarHBondContact N-O 3.45Å; L95-P138 HydrophobicContact CB-CB 3.88Å; L95-P138 HydrophobicContact CD1-CB 4.4Å; L95-P138 PolarHBondContact N-O 3.33Å; L98-P138 HydrophobicContact CD1-CB 4.01Å; L98-P138 HydrophobicContact CD1-CG 3.96Å; P138-N140 VanDerWaalsContact C-N 3.3Å; P138-N140 PolarHBondContact O-N 3.07Å; P138-I141 PolarHBondContact O-N 3.11Å; P138-Y179 VanDerWaalsContact CD-CZ 3.48Å; P138-Y179 WeakPolarHBondContact CD-OH 3.44Å; P138-Y179 HydrophobicContact CG-CE1 4.07Å; P138-T210 HydrophobicContact CG-CG2 4.12Å
139	G	94.4	Very high	92.3	Very high	23 Å²	23	38.4 Å²	38.4	24%	0.237	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-68.1	-26.1	177.9	0	0	0	0	0	114.4	K137	K137-G139 PolarHBondContact O-N 3.35Å
140	N	96.6	Very high	92.2	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.07	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-104.3	13.3	-178.4	-71.2	2.2	0	0	0	112.4	D135 K137 P138 T156	D135-N140 PolarHBondContact O-ND2 3.05Å; D135-N140 PolarHBondContact OD2-ND2 3.31Å; K137-N140 WeakPolarHBondContact CE-ND2 3.46Å; K137-N140 WeakPolarHBondContact CE-OD1 3.35Å; K137-N140 HydrophobicContact CG-CB 4.15Å; K137-N140 PolarHBondContact O-N 2.98Å; P138-N140 VanDerWaalsContact C-N 3.3Å; P138-N140 PolarHBondContact O-N 3.07Å; N140-T156 PolarHBondContact O-N 2.78Å
141	I	98.3	Very high	92.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	100.1	174.3	-59.1	167.5	0	0	0	106.3	S93 L94 V119 K137 P138 Y153 K154 L155 T210	S93-I141 CarbonylContact C-O 3.59Å; S93-I141 VanDerWaalsContact CA-O 3.26Å; S93-I141 WeakPolarHBondContact CA-O 3.38Å; S93-I141 WeakPolarHBondContact CB-O 3.33Å; L94-I141 HydrophobicContact CB-CB 4.02Å; L94-I141 HydrophobicContact CB-CG2 4.18Å; L94-I141 HydrophobicContact CD2-CB 4.43Å; L94-I141 HydrophobicContact CD2-CD1 3.96Å; L94-I141 HydrophobicContact CD2-CG2 4.4Å; L94-I141 PolarHBondContact N-O 3.19Å; V119-I141 HydrophobicContact CG2-CD1 3.96Å; V119-I141 HydrophobicContact CG2-CG1 4.49Å; V119-I141 HydrophobicContact CG2-CG2 4.03Å; K137-I141 WeakPolarHBondContact O-CG1 3.46Å; K137-I141 PolarHBondContact O-N 3.12Å; P138-I141 PolarHBondContact O-N 3.11Å; I141-Y153 HydrophobicContact CG2-CD1 3.77Å; I141-Y153 HydrophobicContact CG2-CG 4.18Å; I141-K154 CarbonylContact C-O 3.56Å; I141-K154 WeakPolarHBondContact CA-O 3.26Å; I141-L155 HydrophobicContact CG1-CD2 3.89Å; I141-T210 HydrophobicContact CD1-CG2 3.65Å
142	M	98	Very high	92.7	Very high	42 Å²	42	40.8 Å²	40.8	21%	0.207	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	151.1	-178.9	-57.8	-53.7	-66.6	0	0	111.1	V68 C89 Y153 K154 T156	V68-M142 HydrophobicContact CG2-CB 4.13Å; V68-M142 HydrophobicContact CG2-CG 3.9Å; C89-M142 HydrophobicContact CB-CB 3.67Å; C89-M142 HydrophobicContact CB-CE 3.82Å; C89-M142 HydrophobicContact CB-CG 4.32Å; C89-M142 VanDerWaalsContact SG-CB 3.54Å; M142-Y153 CarbonylContact O-C 3.33Å; M142-Y153 VanDerWaalsContact O-CA 3.23Å; M142-Y153 WeakPolarHBondContact O-CA 3.36Å; M142-K154 PolarHBondContact N-O 3.5Å; M142-K154 PolarHBondContact O-N 2.94Å; M142-T156 HydrophobicContact CG-CG2 3.5Å; M142-T156 HydrophobicContact SD-CG2 3.88Å
143	R	97.4	Very high	93.1	Very high	49 Å²	49	40.6 Å²	40.6	19%	0.185	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.1	177.1	-173.7	175.6	175.8	-85.2	-5.1	110.7	S91 G92 E111 V145 S151 Y153	S91-R143 WeakPolarHBondContact CB-O 3.19Å; S91-R143 PolarHBondContact N-O 2.89Å; G92-R143 PolarHBondContact O-N 3.5Å; E111-R143 IonicContact OE1-NE 3.35Å; R143-V145 VanDerWaalsContact NH1-CG2 3.3Å; R143-S151 VanDerWaalsContact CZ-OG 3.25Å; R143-S151 PolarHBondContact NE-OG 2.92Å; R143-S151 PolarHBondContact NH2-OG 3.44Å; R143-Y153 HydrophobicContact CB-CD1 4.02Å; R143-Y153 HydrophobicContact CB-CE1 3.77Å; R143-Y153 HydrophobicContact CG-CD1 4.32Å; R143-Y153 HydrophobicContact CG-CE1 3.87Å
144	L	94.8	Very high	93.4	Very high	29 Å²	29	41.3 Å²	41.3	15%	0.152	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	160.2	162.6	-74.6	166.1	0	0	0	109.4	E87 C89 S151 I152 K154	E87-L144 VanDerWaalsContact OE1-CD1 3.29Å; E87-L144 WeakPolarHBondContact OE1-CD1 3.38Å; C89-L144 HydrophobicContact CB-CD2 4.22Å; C89-L144 HydrophobicContact CB-CG 4.23Å; L144-S151 CarbonylContact O-C 3.52Å; L144-S151 WeakPolarHBondContact O-CA 3.12Å; L144-I152 HydrophobicContact CB-CB 4.38Å; L144-I152 PolarHBondContact N-O 3.1Å; L144-I152 PolarHBondContact O-N 2.93Å; L144-K154 HydrophobicContact CD1-CD 3.84Å; L144-K154 VanDerWaalsContact CD1-CE 3.44Å
145	V	92	Very high	93.8	Very high	68 Å²	68	41.3 Å²	41.3	41%	0.412	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.7	167.4	-179.3	0	0	0	0	106.5	S91 R143	S91-V145 WeakPolarHBondContact OG-CG2 3.24Å; R143-V145 VanDerWaalsContact NH1-CG2 3.3Å
146	G	86.3	Confident	94	Very high	18 Å²	18	41.5 Å²	41.5	19%	0.186	22%	0.224	C	C	.	.			trans	-69.4	173.8	174.7	0	0	0	0	0	111.9	E148 G149 Q150	G146-E148 PolarHBondContact O-N 3.33Å; G146-G149 PolarHBondContact O-N 2.81Å; G146-Q150 PolarHBondContact N-O 2.98Å
147	E	81.6	Confident	93.8	Very high	206 Å²	206	43.7 Å²	43.7	96%	0.963	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.6	-174.6	-62.4	-177.6	171.7	0	0	113.1	G149	E147-G149 VanDerWaalsContact C-N 3.3Å; E147-G149 PolarHBondContact O-N 3.33Å
148	E	85.1	Confident	93.6	Very high	160 Å²	160	42 Å²	42	75%	0.748	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	10.3	178.8	-57.1	177.3	151.7	0	0	113.3	G146 Q150	G146-E148 PolarHBondContact O-N 3.33Å; E148-Q150 VanDerWaalsContact C-N 3.3Å; E148-Q150 PolarHBondContact O-N 2.85Å; E148-Q150 PolarHBondContact OE2-NE2 3.4Å; E148-Q150 PolarHBondContact OE2-OE1 2.89Å
149	G	87.8	Confident	92.9	Very high	48 Å²	48	42.8 Å²	42.8	50%	0.495	24%	0.236	S	C	.	.	S	Bend	trans	85	-5.4	179.2	0	0	0	0	0	115.3	G146 E147	G146-G149 PolarHBondContact O-N 2.81Å; E147-G149 VanDerWaalsContact C-N 3.3Å; E147-G149 PolarHBondContact O-N 3.33Å
150	Q	91.1	Very high	92.3	Very high	100 Å²	100	42.1 Å²	42.1	47%	0.467	23%	0.228	S	C	.	.			trans	-72.6	143	177.8	61.9	-142.3	-15.5	0	0	113.5	G146 E148	G146-Q150 PolarHBondContact N-O 2.98Å; E148-Q150 VanDerWaalsContact C-N 3.3Å; E148-Q150 PolarHBondContact O-N 2.85Å; E148-Q150 PolarHBondContact OE2-NE2 3.4Å; E148-Q150 PolarHBondContact OE2-OE1 2.89Å
151	S	96.3	Very high	91.7	Very high	7 Å²	7	41.5 Å²	41.5	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138.2	175.4	-54.9	0	0	0	0	111	E111 V114 R143 L144	E111-S151 WeakPolarHBondContact OE1-CB 3.46Å; E111-S151 PolarHBondContact OE1-OG 2.86Å; E111-S151 PolarHBondContact OE2-OG 3.45Å; V114-S151 WeakPolarHBondContact CG1-O 3.5Å; R143-S151 VanDerWaalsContact CZ-OG 3.25Å; R143-S151 PolarHBondContact NE-OG 2.92Å; R143-S151 PolarHBondContact NH2-OG 3.44Å; L144-S151 CarbonylContact O-C 3.52Å; L144-S151 WeakPolarHBondContact O-CA 3.12Å
152	I	96.9	Very high	90.9	Very high	32 Å²	32	44.7 Å²	44.7	16%	0.164	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.6	168.6	-57.5	172.6	0	0	0	107.2	Q65 L144	Q65-I152 HydrophobicContact CG-CG2 4.18Å; L144-I152 HydrophobicContact CB-CB 4.38Å; L144-I152 PolarHBondContact N-O 3.1Å; L144-I152 PolarHBondContact O-N 2.93Å
153	Y	98.3	Very high	90	Very high	1 Å²	1	46.6 Å²	46.6	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	141.4	179.6	-68.4	-83.1	0	0	0	112.1	N66 L94 E111 V114 V115 C118 I141 M142 R143	N66-Y153 PolarHBondContact ND2-O 3.25Å; L94-Y153 HydrophobicContact CB-CD1 4.39Å; L94-Y153 HydrophobicContact CB-CE1 4.03Å; L94-Y153 HydrophobicContact CD1-CE1 3.87Å; L94-Y153 HydrophobicContact CG-CE1 4.49Å; E111-Y153 WeakPolarHBondContact OE1-CE2 3.38Å; E111-Y153 PolarHBondContact OE1-OH 3.07Å; V114-Y153 HydrophobicContact CG1-CD2 4.06Å; V114-Y153 HydrophobicContact CG1-CE2 4.13Å; V115-Y153 HydrophobicContact CB-CD2 4.41Å; V115-Y153 HydrophobicContact CB-CE2 4.36Å; V115-Y153 HydrophobicContact CG2-CD2 3.74Å; V115-Y153 HydrophobicContact CG2-CE1 4.17Å; V115-Y153 HydrophobicContact CG2-CE2 3.3Å; V115-Y153 HydrophobicContact CG2-CG 4.35Å; C118-Y153 PolarHBondContact SG-N 3.48Å; I141-Y153 HydrophobicContact CG2-CD1 3.77Å; I141-Y153 HydrophobicContact CG2-CG 4.18Å; M142-Y153 CarbonylContact O-C 3.33Å; M142-Y153 VanDerWaalsContact O-CA 3.23Å; M142-Y153 WeakPolarHBondContact O-CA 3.36Å; R143-Y153 HydrophobicContact CB-CD1 4.02Å; R143-Y153 HydrophobicContact CB-CE1 3.77Å; R143-Y153 HydrophobicContact CG-CD1 4.32Å; R143-Y153 HydrophobicContact CG-CE1 3.87Å
154	K	98.5	Very high	88.9	Confident	16 Å²	16	44.5 Å²	44.5	7%	0.07	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.4	-174.2	-61.6	-177.8	168.4	-113.4	0	112.1	Q65 N66 V68 E87 I141 M142 L144	Q65-K154 WeakPolarHBondContact O-CE 3.38Å; Q65-K154 WeakPolarHBondContact O-CG 3.43Å; Q65-K154 PolarHBondContact O-NZ 3.31Å; N66-K154 CarbonylContact O-C 3.05Å; N66-K154 VanDerWaalsContact O-CA 3.29Å; N66-K154 WeakPolarHBondContact O-CA 3.38Å; V68-K154 HydrophobicContact CG2-CB 3.74Å; V68-K154 HydrophobicContact CG2-CD 4.39Å; E87-K154 VanDerWaalsContact OE1-CE 3.32Å; E87-K154 WeakPolarHBondContact OE1-CE 3.42Å; E87-K154 IonicContact OE1-NZ 3.86Å; E87-K154 PolarHBondContact OE1-NZ 3.03Å; E87-K154 VanDerWaalsContact OE1-NZ 3.13Å; E87-K154 WeakPolarHBondContact OE2-CD 3.19Å; E87-K154 WeakPolarHBondContact OE2-CE 3.45Å; E87-K154 IonicContact OE2-NZ 3.37Å; E87-K154 PolarHBondContact OE2-NZ 3.31Å; I141-K154 CarbonylContact C-O 3.56Å; I141-K154 WeakPolarHBondContact CA-O 3.26Å; M142-K154 PolarHBondContact N-O 3.5Å; M142-K154 PolarHBondContact O-N 2.94Å; L144-K154 HydrophobicContact CD1-CD 3.84Å; L144-K154 VanDerWaalsContact CD1-CE 3.44Å
155	L	98.3	Very high	87.7	Confident	2 Å²	2	49 Å²	49	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	142.3	172.2	-57.4	179.8	0	0	0	110.9	N66 I67 V68 V119 M123 L126 I141 F158	N66-L155 PolarHBondContact O-N 2.81Å; I67-L155 HydrophobicContact CD1-CB 3.93Å; I67-L155 HydrophobicContact CD1-CD1 4.12Å; I67-L155 HydrophobicContact CD1-CG 4.33Å; V68-L155 PolarHBondContact N-O 3.36Å; V119-L155 HydrophobicContact CG1-CD2 4.33Å; M123-L155 HydrophobicContact CG-CD1 4.38Å; M123-L155 HydrophobicContact SD-CD1 4.11Å; L126-L155 HydrophobicContact CD1-CD1 3.77Å; L126-L155 HydrophobicContact CG-CD1 4.42Å; I141-L155 HydrophobicContact CG1-CD2 3.89Å; L155-F158 HydrophobicContact CB-CZ 4.24Å
156	T	95.3	Very high	86.2	Confident	19 Å²	19	49.3 Å²	49.3	12%	0.117	26%	0.261	C	S	.	.			trans	-146.6	175.9	178	-161.7	0	0	0	0	111.9	H133 N140 M142	H133-T156 PolarHBondContact CE1-O 2.98Å; H133-T156 PolarHBondContact NE2-O 3.35Å; N140-T156 PolarHBondContact O-N 2.78Å; M142-T156 HydrophobicContact CG-CG2 3.5Å; M142-T156 HydrophobicContact SD-CG2 3.88Å
157	D	90.6	Very high	85.1	Confident	48 Å²	48	55.8 Å²	55.8	26%	0.257	29%	0.292	S	S	.	.			trans	63.3	67.9	178.8	-162.9	12.3	0	0	0	113.9	K38 H133 G159	K38-D157 IonicContact NZ-OD1 2.82Å; K38-D157 PolarHBondContact NZ-OD1 3.24Å; H133-D157 PolarHBondContact CE1-O 3.28Å; H133-D157 VanDerWaalsContact CE1-O 3.22Å; D157-G159 PolarHBondContact O-N 3.02Å
158	F	90.1	Very high	84	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-81.6	17.1	177.7	-61.4	-87.6	0	0	0	112.8	E55 V58 L59 L62 I67 L126 H133 L155 A160 A161	E55-F158 HydrophobicContact CG-CB 4.07Å; E55-F158 PolarHBondContact OE1-N 2.99Å; V58-F158 HydrophobicContact CG1-CB 4.07Å; V58-F158 HydrophobicContact CG1-CD1 3.98Å; V58-F158 HydrophobicContact CG1-CG 4.17Å; L59-F158 HydrophobicContact CD1-CD2 4.38Å; L59-F158 HydrophobicContact CD2-CD2 3.32Å; L59-F158 HydrophobicContact CD2-CE2 3.56Å; L59-F158 HydrophobicContact CD2-CG 4.21Å; L59-F158 HydrophobicContact CG-CB 4.41Å; L59-F158 HydrophobicContact CG-CD2 3.81Å; L59-F158 HydrophobicContact CG-CG 4.33Å; L62-F158 HydrophobicContact CD1-CD1 4.09Å; L62-F158 HydrophobicContact CD1-CE1 3.69Å; L62-F158 HydrophobicContact CD1-CE2 4.34Å; L62-F158 HydrophobicContact CD1-CZ 3.83Å; I67-F158 HydrophobicContact CD1-CZ 4.18Å; I67-F158 HydrophobicContact CG2-CE2 3.92Å; I67-F158 HydrophobicContact CG2-CZ 3.78Å; L126-F158 HydrophobicContact CD1-CE1 4.18Å; L126-F158 HydrophobicContact CD2-CE1 3.65Å; L126-F158 HydrophobicContact CD2-CZ 4.26Å; H133-F158 AromaticContact CD2-CD1 3.96Å; H133-F158 AromaticContact CD2-CE1 3.63Å; L155-F158 HydrophobicContact CB-CZ 4.24Å; F158-A160 PolarHBondContact O-N 2.91Å; F158-A161 HydrophobicContact CB-CB 3.79Å; F158-A161 HydrophobicContact CD1-CB 3.91Å; F158-A161 HydrophobicContact CG-CB 4.37Å; F158-A161 WeakPolarHBondContact O-CB 3.33Å; F158-A161 PolarHBondContact O-N 3.49Å
159	G	84	Confident	83	Confident	16 Å²	16	47.9 Å²	47.9	17%	0.165	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-61.7	-23.9	177.8	0	0	0	0	0	113.3	E55 D157	E55-G159 VanDerWaalsContact CD-N 3.33Å; E55-G159 PolarHBondContact OE1-N 3.4Å; E55-G159 WeakPolarHBondContact OE2-CA 3.48Å; D157-G159 PolarHBondContact O-N 3.02Å
160	A	82	Confident	81.8	Confident	8 Å²	8	45.7 Å²	45.7	7%	0.066	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-97.4	-4.9	172.4	0	0	0	0	0	113.2	H133 R134 D135 F158 Y174	H133-A160 CarbonylContact O-C 3.59Å; R134-A160 PolarHBondContact NE-O 3.02Å; R134-A160 PolarHBondContact NH2-O 3.35Å; D135-A160 HydrophobicContact CB-CB 4.07Å; F158-A160 PolarHBondContact O-N 2.91Å; A160-Y174 HydrophobicContact CB-CD1 4.41Å; A160-Y174 HydrophobicContact CB-CG 3.93Å
161	A	82.7	Confident	80	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.			trans	-70.6	161.3	-174	0	0	0	0	0	112.5	R54 V58 I131 V132 H133 R134 F158	R54-A161 WeakPolarHBondContact CD-O 3.47Å; V58-A161 HydrophobicContact CG1-CB 4.04Å; V58-A161 HydrophobicContact CG2-CB 4.36Å; I131-A161 HydrophobicContact CG2-CB 4.25Å; V132-A161 CarbonylContact O-C 3.58Å; V132-A161 WeakPolarHBondContact O-CA 3.35Å; H133-A161 PolarHBondContact O-N 2.77Å; R134-A161 PolarHBondContact NH2-O 2.99Å; F158-A161 HydrophobicContact CB-CB 3.79Å; F158-A161 HydrophobicContact CD1-CB 3.91Å; F158-A161 HydrophobicContact CG-CB 4.37Å; F158-A161 WeakPolarHBondContact O-CB 3.33Å; F158-A161 PolarHBondContact O-N 3.49Å
162	R	81.8	Confident	78.2	Confident	69 Å²	69	46.1 Å²	46.1	26%	0.26	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	146.1	174.4	-175.5	175.5	168.3	169	-7.5	110.5	V132 L164 E168	V132-R162 PolarHBondContact N-O 2.92Å; V132-R162 PolarHBondContact O-N 3.12Å; R162-L164 HydrophobicContact CB-CG 4.48Å; R162-L164 HydrophobicContact CG-CD2 4.19Å; R162-L164 HydrophobicContact CG-CG 4.13Å; R162-E168 IonicContact CZ-OE1 2.88Å; R162-E168 IonicContact NH2-OE1 3.96Å; R162-E168 PolarHBondContact NH2-OE1 2.8Å
163	E	78.9	Confident	76.4	Confident	81 Å²	81	46.9 Å²	46.9	38%	0.379	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.7	167.4	-69.1	173.4	-145	0	0	109.6	K61 G130 I131	K61-E163 WeakPolarHBondContact CE-OE1 3.27Å; K61-E163 IonicContact NZ-OE1 3.58Å; K61-E163 PolarHBondContact NZ-OE1 3.46Å; K61-E163 IonicContact NZ-OE2 3.4Å; K61-E163 PolarHBondContact NZ-OE2 3Å; G130-E163 CarbonylContact O-C 3.58Å; G130-E163 VanDerWaalsContact O-CA 3.23Å; G130-E163 WeakPolarHBondContact O-CA 3.36Å; I131-E163 HydrophobicContact CG1-CG 4.04Å
164	L	74.8	Confident	74.7	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	26%	0.259	C	S	.	.			trans	-144.4	135.1	-178.2	-67.9	172.9	0	0	0	109.1	G130 V132 R162 E168 F170 V200	G130-L164 PolarHBondContact O-N 2.97Å; V132-L164 HydrophobicContact CB-CD1 4.16Å; V132-L164 HydrophobicContact CG2-CB 4.08Å; V132-L164 HydrophobicContact CG2-CD1 3.86Å; V132-L164 HydrophobicContact CG2-CG 4.4Å; R162-L164 HydrophobicContact CB-CG 4.48Å; R162-L164 HydrophobicContact CG-CD2 4.19Å; R162-L164 HydrophobicContact CG-CG 4.13Å; L164-E168 HydrophobicContact CB-CB 4.45Å; L164-E168 HydrophobicContact CD2-CB 4.14Å; L164-E168 HydrophobicContact CD2-CG 3.84Å; L164-E168 WeakPolarHBondContact CD2-OE1 3.4Å; L164-F170 HydrophobicContact CD1-CD1 3.49Å; L164-F170 VanDerWaalsContact CD1-CD1 3.49Å; L164-F170 HydrophobicContact CD1-CE1 3.97Å; L164-F170 HydrophobicContact CD1-CG 4.32Å; L164-V200 HydrophobicContact CB-CG1 4.45Å
165	D	69.4	Low	73	Confident	124 Å²	124	51 Å²	51	66%	0.663	27%	0.273	S	S	*	.			trans	-72.4	160.5	163.2	-64.4	-33.6	0	0	0	110.1	D167 E168	D165-D167 VanDerWaalsContact C-N 3.27Å; D165-D167 PolarHBondContact O-N 3.38Å; D165-E168 HydrophobicContact CB-CB 4.28Å; D165-E168 WeakPolarHBondContact O-CB 3.46Å; D165-E168 PolarHBondContact O-N 2.92Å
166	D	61.5	Low	72.1	Confident	74 Å²	74	52.3 Å²	52.3	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-35.8	-172.5	-72.2	-46.5	0	0	0	114.7	R127	R127-D166 IonicContact CZ-OD1 3.2Å; R127-D166 IonicContact CZ-OD2 2.8Å; R127-D166 IonicContact NE-OD1 3.86Å; R127-D166 IonicContact NH1-OD1 3.65Å; R127-D166 PolarHBondContact NH1-OD1 3.29Å; R127-D166 IonicContact NH1-OD2 2.73Å; R127-D166 PolarHBondContact NH1-OD2 3.48Å; R127-D166 IonicContact NH2-OD1 3.8Å; R127-D166 PolarHBondContact NH2-OD1 3.34Å; R127-D166 IonicContact NH2-OD2 2.97Å; R127-D166 PolarHBondContact NH2-OD2 2.9Å
167	D	62	Low	71.5	Confident	155 Å²	155	53.8 Å²	53.8	83%	0.829	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-6.4	178.8	-63.7	-41.8	0	0	0	112.6	D165 K169	D165-D167 VanDerWaalsContact C-N 3.27Å; D165-D167 PolarHBondContact O-N 3.38Å; D167-K169 PolarHBondContact O-N 3.18Å
168	E	58.3	Low	71.4	Confident	68 Å²	68	52.6 Å²	52.6	32%	0.318	28%	0.279	S	S	.	.			trans	-75.2	123.2	-176.9	-165.4	-173	157.8	0	0	110.6	R162 L164 D165	R162-E168 IonicContact CZ-OE1 2.88Å; R162-E168 IonicContact NH2-OE1 3.96Å; R162-E168 PolarHBondContact NH2-OE1 2.8Å; L164-E168 HydrophobicContact CB-CB 4.45Å; L164-E168 HydrophobicContact CD2-CB 4.14Å; L164-E168 HydrophobicContact CD2-CG 3.84Å; L164-E168 WeakPolarHBondContact CD2-OE1 3.4Å; D165-E168 HydrophobicContact CB-CB 4.28Å; D165-E168 WeakPolarHBondContact O-CB 3.46Å; D165-E168 PolarHBondContact O-N 2.92Å
169	K	65.3	Low	71.4	Confident	131 Å²	131	53.4 Å²	53.4	57%	0.57	28%	0.283	S	S	*	.			trans	-100.8	148.3	176	-50.5	-173.5	-178.3	-179.2	0	112	D167 A197 F198	D167-K169 PolarHBondContact O-N 3.18Å; K169-A197 HydrophobicContact CB-CB 3.3Å; K169-A197 HydrophobicContact CD-CB 3.68Å; K169-A197 HydrophobicContact CG-CB 4.11Å; K169-F198 CarbonylContact C-O 3.49Å; K169-F198 WeakPolarHBondContact CA-O 3.26Å
170	F	61.5	Low	71.6	Confident	2 Å²	2	53 Å²	53	1%	0.009	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-126.1	167.1	-179.9	69.6	-88.8	0	0	0	113.9	R134 L164 S172 M184 F198 V202	R134-F170 HydrophobicContact CG-CZ 4.29Å; L164-F170 HydrophobicContact CD1-CD1 3.49Å; L164-F170 VanDerWaalsContact CD1-CD1 3.49Å; L164-F170 HydrophobicContact CD1-CE1 3.97Å; L164-F170 HydrophobicContact CD1-CG 4.32Å; F170-S172 WeakPolarHBondContact CD2-O 3.46Å; F170-S172 WeakPolarHBondContact CE2-O 3.43Å; F170-M184 HydrophobicContact CE2-CE 4.48Å; F170-M184 HydrophobicContact CZ-SD 4.43Å; F170-F198 HydrophobicContact CD1-CB 3.9Å; F170-F198 WeakPolarHBondContact CD1-O 3.4Å; F170-F198 HydrophobicContact CD2-CB 4.07Å; F170-F198 AromaticContact CD2-CD2 3.72Å; F170-F198 HydrophobicContact CD2-CD2 3.72Å; F170-F198 HydrophobicContact CD2-CG 4.37Å; F170-F198 HydrophobicContact CE1-CB 3.47Å; F170-F198 VanDerWaalsContact CE1-CB 3.47Å; F170-F198 HydrophobicContact CE2-CB 3.65Å; F170-F198 AromaticContact CE2-CD2 3.5Å; F170-F198 HydrophobicContact CE2-CD2 3.5Å; F170-F198 VanDerWaalsContact CE2-CD2 3.5Å; F170-F198 AromaticContact CE2-CG 3.91Å; F170-F198 HydrophobicContact CE2-CG 3.91Å; F170-F198 HydrophobicContact CG-CB 4.19Å; F170-F198 HydrophobicContact CG-CD2 4.47Å; F170-F198 HydrophobicContact CZ-CB 3.32Å; F170-F198 HydrophobicContact CZ-CD2 4.1Å; F170-F198 HydrophobicContact CZ-CG 4.01Å; F170-F198 PolarHBondContact N-O 2.82Å; F170-F198 WeakPolarHBondContact O-CD2 3.45Å; F170-F198 PolarHBondContact O-N 2.97Å; F170-V202 HydrophobicContact CE1-CG2 4.29Å; F170-V202 HydrophobicContact CZ-CG1 4.35Å; F170-V202 HydrophobicContact CZ-CG2 4.04Å
171	V	54.1	Low	71.9	Confident	81 Å²	81	53 Å²	53	49%	0.491	28%	0.275	S	S	.	.			trans	-124.4	-22.6	-170.8	169.1	0	0	0	0	111.7	R187	V171-R187 VanDerWaalsContact CG1-CZ 3.49Å; V171-R187 PolarHBondContact O-NE 3.03Å; V171-R187 PolarHBondContact O-NH1 3.05Å; V171-R187 PolarHBondContact O-NH2 3.08Å
172	S	58.3	Low	72	Confident	35 Å²	35	53 Å²	53	25%	0.245	28%	0.275	C	S	.	.			trans	-71.9	141.6	-177.6	62.7	0	0	0	0	113	R134 F170	R134-S172 PolarHBondContact NH1-OG 3.11Å; F170-S172 WeakPolarHBondContact CD2-O 3.46Å; F170-S172 WeakPolarHBondContact CE2-O 3.43Å
173	V	59.8	Low	72.1	Confident	48 Å²	48	50.2 Å²	50.2	29%	0.291	27%	0.266	S	S	.	.			trans	-107.8	127	-174.8	-176.3	0	0	0	0	112.3	R187 A188	V173-R187 HydrophobicContact CG2-CB 4.33Å; V173-R187 VanDerWaalsContact CG2-CD 3.48Å; V173-R187 HydrophobicContact CG2-CG 3.76Å; V173-A188 HydrophobicContact CG1-CB 3.14Å
174	Y	60.8	Low	72.3	Confident	69 Å²	69	46.6 Å²	46.6	27%	0.271	25%	0.249	S	C	.	.			trans	-147.4	158.3	172	-61.3	-80.7	0	0	0	109.4	A160 L180 M184	A160-Y174 HydrophobicContact CB-CD1 4.41Å; A160-Y174 HydrophobicContact CB-CG 3.93Å; Y174-L180 VanDerWaalsContact O-CD2 3.3Å; Y174-L180 WeakPolarHBondContact O-CD2 3.43Å; Y174-M184 WeakPolarHBondContact O-CE 3.42Å
175	G	64.5	Low	72.6	Confident	36 Å²	36	46.4 Å²	46.4	37%	0.371	25%	0.248	S	C	.	.	S	Bend	trans	129.7	179.7	168.7	0	0	0	0	0	114.5	D135	D135-G175 VanDerWaalsContact OD1-CA 3.26Å; D135-G175 WeakPolarHBondContact OD1-CA 3.44Å
176	T	77.7	Confident	73.3	Confident	28 Å²	28	41.8 Å²	41.8	17%	0.172	22%	0.222	C	C	.	.			trans	-106.4	124.9	-174.1	-55.1	0	0	0	0	110.6	D135 K137 E178 Y179 L180	D135-T176 PolarHBondContact OD1-N 3.14Å; D135-T176 VanDerWaalsContact OD1-N 3.14Å; D135-T176 PolarHBondContact OD1-OG1 3.22Å; K137-T176 HydrophobicContact CD-CG2 4.1Å; K137-T176 WeakPolarHBondContact CD-OG1 3.42Å; K137-T176 WeakPolarHBondContact CE-OG1 3.49Å; K137-T176 PolarHBondContact NZ-OG1 2.89Å; T176-E178 VanDerWaalsContact CG2-OE2 3.29Å; T176-E178 WeakPolarHBondContact CG2-OE2 3.48Å; T176-E178 PolarHBondContact O-N 3.44Å; T176-Y179 HydrophobicContact CG2-CD2 4.12Å; T176-Y179 PolarHBondContact O-N 2.64Å; T176-L180 PolarHBondContact O-N 3.4Å
177	E	84.2	Confident	74.1	Confident	50 Å²	50	42 Å²	42	23%	0.234	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-43.6	-42.3	-165.6	-62.2	-170.5	168.2	0	0	113.8	Y179 Y185 V189 K231	E177-Y179 VanDerWaalsContact C-N 3.33Å; E177-Y179 PolarHBondContact O-N 2.95Å; E177-Y185 HydrophobicContact CB-CE2 4.06Å; E177-Y185 VanDerWaalsContact O-CD2 3.29Å; E177-Y185 WeakPolarHBondContact O-CD2 3.43Å; E177-Y185 VanDerWaalsContact O-CE2 3.26Å; E177-Y185 WeakPolarHBondContact O-CE2 3.44Å; E177-V189 HydrophobicContact CB-CG2 4.43Å; E177-V189 HydrophobicContact CG-CG2 3.86Å; E177-K231 IonicContact OE1-NZ 3.84Å; E177-K231 PolarHBondContact OE1-NZ 3.19Å; E177-K231 VanDerWaalsContact OE1-NZ 3.11Å
178	E	87.9	Confident	74.8	Confident	23 Å²	23	36.3 Å²	36.3	11%	0.107	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-74	-16.4	-175.7	-56	92.4	156.4	0	0	115.3	T176 L219 P227 R228	T176-E178 VanDerWaalsContact CG2-OE2 3.29Å; T176-E178 WeakPolarHBondContact CG2-OE2 3.48Å; T176-E178 PolarHBondContact O-N 3.44Å; E178-L219 HydrophobicContact CB-CD1 3.79Å; E178-L219 HydrophobicContact CB-CD2 4.18Å; E178-L219 HydrophobicContact CG-CD1 3.8Å; E178-P227 HydrophobicContact CG-CB 4.03Å; E178-P227 HydrophobicContact CG-CG 3.61Å; E178-R228 IonicContact OE1-CZ 2.74Å; E178-R228 VanDerWaalsContact OE1-CZ 3.22Å; E178-R228 IonicContact OE1-NE 3.69Å; E178-R228 PolarHBondContact OE1-NE 3.49Å; E178-R228 IonicContact OE1-NH2 2.95Å; E178-R228 PolarHBondContact OE1-NH2 3.05Å; E178-R228 IonicContact OE2-NH2 2.79Å
179	Y	91	Very high	75.9	Confident	19 Å²	19	34 Å²	34	8%	0.075	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-116.9	-0.7	-173.9	-59.5	-95.5	0	0	0	113	K137 P138 T176 E177 S206 V209 H213 L219	K137-Y179 HydrophobicContact CB-CD1 4.05Å; K137-Y179 HydrophobicContact CB-CD2 3.95Å; K137-Y179 HydrophobicContact CB-CE1 4.26Å; K137-Y179 HydrophobicContact CB-CE2 4.16Å; K137-Y179 HydrophobicContact CB-CG 3.91Å; P138-Y179 VanDerWaalsContact CD-CZ 3.48Å; P138-Y179 WeakPolarHBondContact CD-OH 3.44Å; P138-Y179 HydrophobicContact CG-CE1 4.07Å; T176-Y179 HydrophobicContact CG2-CD2 4.12Å; T176-Y179 PolarHBondContact O-N 2.64Å; E177-Y179 VanDerWaalsContact C-N 3.33Å; E177-Y179 PolarHBondContact O-N 2.95Å; Y179-S206 PolarHBondContact O-OG 2.73Å; Y179-V209 HydrophobicContact CD1-CB 3.9Å; Y179-V209 HydrophobicContact CD1-CG1 3.39Å; Y179-V209 HydrophobicContact CE1-CG1 3.72Å; Y179-V209 HydrophobicContact CG-CG1 4.1Å; Y179-H213 AromaticContact CZ-ND1 3.94Å; Y179-H213 PolarHBondContact OH-CE1 2.63Å; Y179-H213 PolarHBondContact OH-ND1 2.63Å; Y179-L219 HydrophobicContact CE1-CD2 4.19Å; Y179-L219 HydrophobicContact CE2-CD2 4.31Å
180	L	87.5	Confident	76.6	Confident	7 Å²	7	29.1 Å²	29.1	4%	0.037	16%	0.162	C	C	.	.	S	Bend	trans	-72.1	140.2	-178.8	-76.2	176.9	0	0	0	111.5	Y174 T176 M184 Y185 A188 V189 W205	Y174-L180 VanDerWaalsContact O-CD2 3.3Å; Y174-L180 WeakPolarHBondContact O-CD2 3.43Å; T176-L180 PolarHBondContact O-N 3.4Å; L180-M184 HydrophobicContact CD2-CB 4.22Å; L180-M184 HydrophobicContact CD2-CE 3.97Å; L180-Y185 HydrophobicContact CB-CD2 4.27Å; L180-Y185 HydrophobicContact CD1-CD2 4.42Å; L180-A188 HydrophobicContact CD1-CB 4Å; L180-V189 HydrophobicContact CD1-CG2 4.28Å; L180-W205 PolarHBondContact O-NE1 3.25Å
181	H	88.3	Confident	77.4	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.032	20%	0.201	C	C	.	.			trans	-55.9	141.1	164.7	-175.4	-82.4	0	0	0	110.2	D183 M184 Y185 V202 W205	H181-D183 VanDerWaalsContact C-N 3.34Å; H181-D183 IonicContact CE1-OD2 2.74Å; H181-D183 PolarHBondContact CE1-OD2 2.86Å; H181-D183 PolarHBondContact ND1-N 3.33Å; H181-D183 IonicContact ND1-OD2 3.16Å; H181-D183 PolarHBondContact O-N 2.81Å; H181-M184 HydrophobicContact CB-CB 4.42Å; H181-M184 HydrophobicContact CB-CG 4.32Å; H181-M184 HydrophobicContact CB-SD 4.4Å; H181-M184 CarbonylContact O-C 3.5Å; H181-M184 WeakPolarHBondContact O-CA 3.49Å; H181-M184 WeakPolarHBondContact O-CB 3.43Å; H181-M184 PolarHBondContact O-N 2.85Å; H181-Y185 PolarHBondContact O-N 3.5Å; H181-V202 HydrophobicContact CB-CB 4.39Å; H181-V202 HydrophobicContact CB-CG1 4.2Å; H181-W205 HydrophobicContact CB-CB 4.24Å; H181-W205 HydrophobicContact CB-CG 4.19Å
182	P	85.4	Confident	78.5	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53.9	-43.7	-175.3	13.8	-28.4	0	0	0	114.1	M184 Y185 E186 W205 T239 V287	P182-M184 VanDerWaalsContact C-N 3.31Å; P182-M184 PolarHBondContact O-N 2.96Å; P182-Y185 WeakPolarHBondContact O-CB 3.48Å; P182-Y185 PolarHBondContact O-N 2.94Å; P182-Y185 VanDerWaalsContact O-N 3.13Å; P182-E186 PolarHBondContact O-N 3.49Å; P182-W205 HydrophobicContact CG-CH2 4.14Å; P182-W205 HydrophobicContact CG-CZ2 4.39Å; P182-W205 HydrophobicContact CG-CZ3 4.26Å; P182-T239 HydrophobicContact CB-CG2 3.64Å; P182-V287 HydrophobicContact CG-CG1 3.93Å; P182-V287 HydrophobicContact CG-CG2 4.28Å
183	D	84	Confident	78.8	Confident	12 Å²	12	45.2 Å²	45.2	6%	0.064	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-39.8	175.1	-68.2	-33.4	0	0	0	111.9	H181 Y185 Q194 F198	H181-D183 VanDerWaalsContact C-N 3.34Å; H181-D183 IonicContact CE1-OD2 2.74Å; H181-D183 PolarHBondContact CE1-OD2 2.86Å; H181-D183 PolarHBondContact ND1-N 3.33Å; H181-D183 IonicContact ND1-OD2 3.16Å; H181-D183 PolarHBondContact O-N 2.81Å; D183-Y185 VanDerWaalsContact C-N 3.33Å; D183-Q194 PolarHBondContact O-OE1 2.93Å; D183-Q194 VanDerWaalsContact O-OE1 3.09Å; D183-Q194 PolarHBondContact OD1-NE2 3.27Å; D183-Q194 VanDerWaalsContact OD1-NE2 3.11Å; D183-F198 VanDerWaalsContact C-CE1 3.41Å; D183-F198 HydrophobicContact CB-CD1 4.08Å; D183-F198 HydrophobicContact CB-CE1 3.72Å; D183-F198 WeakPolarHBondContact O-CE1 3.39Å
184	M	81.8	Confident	78.9	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.02	22%	0.223	C	C	.	.	H	α-helix	trans	-68	-37.6	175.8	-70.1	-178.8	69.1	0	0	110.8	F170 Y174 L180 H181 P182 R187 A188 F198 V202	F170-M184 HydrophobicContact CE2-CE 4.48Å; F170-M184 HydrophobicContact CZ-SD 4.43Å; Y174-M184 WeakPolarHBondContact O-CE 3.42Å; L180-M184 HydrophobicContact CD2-CB 4.22Å; L180-M184 HydrophobicContact CD2-CE 3.97Å; H181-M184 HydrophobicContact CB-CB 4.42Å; H181-M184 HydrophobicContact CB-CG 4.32Å; H181-M184 HydrophobicContact CB-SD 4.4Å; H181-M184 CarbonylContact O-C 3.5Å; H181-M184 WeakPolarHBondContact O-CA 3.49Å; H181-M184 WeakPolarHBondContact O-CB 3.43Å; H181-M184 PolarHBondContact O-N 2.85Å; P182-M184 VanDerWaalsContact C-N 3.31Å; P182-M184 PolarHBondContact O-N 2.96Å; M184-R187 PolarHBondContact O-N 3.44Å; M184-A188 WeakPolarHBondContact O-CB 3.45Å; M184-A188 PolarHBondContact O-N 3.32Å; M184-F198 HydrophobicContact CB-CE1 4.2Å; M184-F198 HydrophobicContact CB-CZ 4.46Å; M184-F198 HydrophobicContact CG-CD1 3.54Å; M184-F198 HydrophobicContact CG-CD2 4.29Å; M184-F198 HydrophobicContact CG-CE1 3.59Å; M184-F198 HydrophobicContact CG-CE2 4.31Å; M184-F198 HydrophobicContact CG-CG 3.92Å; M184-F198 HydrophobicContact CG-CZ 3.98Å; M184-V202 HydrophobicContact CG-CG1 4.23Å; M184-V202 HydrophobicContact SD-CB 3.74Å; M184-V202 HydrophobicContact SD-CG1 3.59Å; M184-V202 VanDerWaalsContact SD-CG1 3.59Å; M184-V202 HydrophobicContact SD-CG2 4.21Å
185	Y	81.4	Confident	78.6	Confident	2 Å²	2	51 Å²	51	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-44.9	178.7	-167.3	-80.9	0	0	0	112.1	E177 L180 H181 P182 D183 R187 A188 V189 L190 K231 M234 Y235	E177-Y185 HydrophobicContact CB-CE2 4.06Å; E177-Y185 VanDerWaalsContact O-CD2 3.29Å; E177-Y185 WeakPolarHBondContact O-CD2 3.43Å; E177-Y185 VanDerWaalsContact O-CE2 3.26Å; E177-Y185 WeakPolarHBondContact O-CE2 3.44Å; L180-Y185 HydrophobicContact CB-CD2 4.27Å; L180-Y185 HydrophobicContact CD1-CD2 4.42Å; H181-Y185 PolarHBondContact O-N 3.5Å; P182-Y185 WeakPolarHBondContact O-CB 3.48Å; P182-Y185 PolarHBondContact O-N 2.94Å; P182-Y185 VanDerWaalsContact O-N 3.13Å; D183-Y185 VanDerWaalsContact C-N 3.33Å; Y185-R187 VanDerWaalsContact C-N 3.25Å; Y185-R187 PolarHBondContact O-N 3.48Å; Y185-A188 PolarHBondContact O-N 3.04Å; Y185-V189 HydrophobicContact CD1-CB 3.94Å; Y185-V189 HydrophobicContact CD1-CG1 4.46Å; Y185-V189 HydrophobicContact CD1-CG2 4.29Å; Y185-V189 HydrophobicContact CD2-CB 4.34Å; Y185-V189 HydrophobicContact CD2-CG2 3.81Å; Y185-V189 HydrophobicContact CE1-CB 3.73Å; Y185-V189 HydrophobicContact CE1-CG1 3.75Å; Y185-V189 HydrophobicContact CE1-CG2 4.24Å; Y185-V189 HydrophobicContact CE2-CB 4.16Å; Y185-V189 HydrophobicContact CE2-CG1 4.23Å; Y185-V189 HydrophobicContact CE2-CG2 3.76Å; Y185-V189 HydrophobicContact CG-CB 4.23Å; Y185-V189 HydrophobicContact CG-CG2 4.07Å; Y185-V189 WeakPolarHBondContact O-CB 3.39Å; Y185-V189 PolarHBondContact O-N 2.73Å; Y185-L190 HydrophobicContact CD1-CG 4.46Å; Y185-L190 HydrophobicContact CE1-CD2 4.39Å; Y185-L190 HydrophobicContact CE1-CG 4.38Å; Y185-L190 PolarHBondContact O-N 2.86Å; Y185-K231 HydrophobicContact CE1-CB 4.46Å; Y185-K231 WeakPolarHBondContact OH-CA 3.38Å; Y185-M234 HydrophobicContact CE1-CB 4.48Å; Y185-M234 HydrophobicContact CE1-CG 4.45Å; Y185-M234 HydrophobicContact CE2-CG 3.94Å; Y185-Y235 HydrophobicContact CD1-CD2 4.25Å
186	E	83.2	Confident	78.6	Confident	27 Å²	27	55.7 Å²	55.7	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-54.7	-44.1	177.6	-177.6	162.7	-121.1	0	0	111.8	P182 L190 R191 K192 Q194 Y235	P182-E186 PolarHBondContact O-N 3.49Å; E186-L190 CarbonylContact O-C 3.56Å; E186-L190 WeakPolarHBondContact O-CB 3.31Å; E186-L190 PolarHBondContact O-N 3.32Å; E186-R191 PolarHBondContact O-N 3.4Å; E186-K192 HydrophobicContact CG-CB 3.82Å; E186-K192 HydrophobicContact CG-CD 4.04Å; E186-K192 HydrophobicContact CG-CG 4.38Å; E186-K192 PolarHBondContact O-N 3.24Å; E186-Q194 WeakPolarHBondContact OE2-CG 3.45Å; E186-Q194 PolarHBondContact OE2-NE2 3.34Å; E186-Y235 HydrophobicContact CB-CD2 4.2Å; E186-Y235 HydrophobicContact CB-CE2 3.55Å; E186-Y235 HydrophobicContact CG-CE2 4.23Å; E186-Y235 WeakPolarHBondContact OE1-CE1 3.15Å; E186-Y235 VanDerWaalsContact OE1-CZ 3.31Å; E186-Y235 PolarHBondContact OE1-OH 2.78Å; E186-Y235 PolarHBondContact OE2-OH 2.89Å
187	R	80.2	Confident	78	Confident	78 Å²	78	55.8 Å²	55.8	29%	0.294	27%	0.269	S	S	.	.	H	α-helix	trans	-76.7	-44.9	179.8	-171.1	-179.3	175.1	148.7	6	112.8	V171 V173 M184 Y185 R191 F198	V171-R187 VanDerWaalsContact CG1-CZ 3.49Å; V171-R187 PolarHBondContact O-NE 3.03Å; V171-R187 PolarHBondContact O-NH1 3.05Å; V171-R187 PolarHBondContact O-NH2 3.08Å; V173-R187 HydrophobicContact CG2-CB 4.33Å; V173-R187 VanDerWaalsContact CG2-CD 3.48Å; V173-R187 HydrophobicContact CG2-CG 3.76Å; M184-R187 PolarHBondContact O-N 3.44Å; Y185-R187 VanDerWaalsContact C-N 3.25Å; Y185-R187 PolarHBondContact O-N 3.48Å; R187-R191 WeakPolarHBondContact O-CA 3.39Å; R187-R191 PolarHBondContact O-N 3.24Å; R187-F198 HydrophobicContact CB-CZ 4.32Å
188	A	76.3	Confident	77.3	Confident	35 Å²	35	53.5 Å²	53.5	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-71.2	-45.7	-174	0	0	0	0	0	113.3	V173 L180 M184 Y185	V173-A188 HydrophobicContact CG1-CB 3.14Å; L180-A188 HydrophobicContact CD1-CB 4Å; M184-A188 WeakPolarHBondContact O-CB 3.45Å; M184-A188 PolarHBondContact O-N 3.32Å; Y185-A188 PolarHBondContact O-N 3.04Å
189	V	79.9	Confident	76.5	Confident	19 Å²	19	53.1 Å²	53.1	12%	0.115	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-46.7	-165.1	-177.4	0	0	0	0	110.3	E177 L180 Y185 R191 K231	E177-V189 HydrophobicContact CB-CG2 4.43Å; E177-V189 HydrophobicContact CG-CG2 3.86Å; L180-V189 HydrophobicContact CD1-CG2 4.28Å; Y185-V189 HydrophobicContact CD1-CB 3.94Å; Y185-V189 HydrophobicContact CD1-CG1 4.46Å; Y185-V189 HydrophobicContact CD1-CG2 4.29Å; Y185-V189 HydrophobicContact CD2-CB 4.34Å; Y185-V189 HydrophobicContact CD2-CG2 3.81Å; Y185-V189 HydrophobicContact CE1-CB 3.73Å; Y185-V189 HydrophobicContact CE1-CG1 3.75Å; Y185-V189 HydrophobicContact CE1-CG2 4.24Å; Y185-V189 HydrophobicContact CE2-CB 4.16Å; Y185-V189 HydrophobicContact CE2-CG1 4.23Å; Y185-V189 HydrophobicContact CE2-CG2 3.76Å; Y185-V189 HydrophobicContact CG-CB 4.23Å; Y185-V189 HydrophobicContact CG-CG2 4.07Å; Y185-V189 WeakPolarHBondContact O-CB 3.39Å; Y185-V189 PolarHBondContact O-N 2.73Å; V189-R191 VanDerWaalsContact C-N 3.33Å; V189-K231 HydrophobicContact CG1-CB 4.15Å; V189-K231 HydrophobicContact CG1-CD 3.53Å; V189-K231 HydrophobicContact CG1-CG 3.89Å
190	L	80.6	Confident	75.9	Confident	29 Å²	29	53 Å²	53	15%	0.152	26%	0.262	C	S	.	.	S	Bend	trans	-83.9	-9.6	178.1	-52.6	-176.4	0	0	0	113.2	Y185 E186 K192 K231 Y235	Y185-L190 HydrophobicContact CD1-CG 4.46Å; Y185-L190 HydrophobicContact CE1-CD2 4.39Å; Y185-L190 HydrophobicContact CE1-CG 4.38Å; Y185-L190 PolarHBondContact O-N 2.86Å; E186-L190 CarbonylContact O-C 3.56Å; E186-L190 WeakPolarHBondContact O-CB 3.31Å; E186-L190 PolarHBondContact O-N 3.32Å; L190-K192 HydrophobicContact CB-CD 4.39Å; L190-K192 HydrophobicContact CB-CG 4.11Å; L190-K192 PolarHBondContact O-N 2.99Å; L190-K192 VanDerWaalsContact O-N 3.15Å; L190-K231 HydrophobicContact CD2-CB 3.89Å; L190-Y235 HydrophobicContact CD1-CD1 3.65Å; L190-Y235 HydrophobicContact CD1-CD2 4.31Å; L190-Y235 HydrophobicContact CD1-CE1 4.33Å; L190-Y235 HydrophobicContact CD1-CG 3.62Å
191	R	78.9	Confident	75.8	Confident	221 Å²	221	54.2 Å²	54.2	83%	0.834	27%	0.269	S	S	*	.			trans	53.7	30.4	-179.8	-58.7	-177.1	176.1	-178.6	-1	113.5	E186 R187 V189	E186-R191 PolarHBondContact O-N 3.4Å; R187-R191 WeakPolarHBondContact O-CA 3.39Å; R187-R191 PolarHBondContact O-N 3.24Å; V189-R191 VanDerWaalsContact C-N 3.33Å
192	K	77.1	Confident	75.7	Confident	101 Å²	101	54 Å²	54	44%	0.439	27%	0.269	S	S	.	.			trans	-82.3	142.2	177.3	-67.7	-176.9	-178.7	176.3	0	110.6	E186 L190 Q194	E186-K192 HydrophobicContact CG-CB 3.82Å; E186-K192 HydrophobicContact CG-CD 4.04Å; E186-K192 HydrophobicContact CG-CG 4.38Å; E186-K192 PolarHBondContact O-N 3.24Å; L190-K192 HydrophobicContact CB-CD 4.39Å; L190-K192 HydrophobicContact CB-CG 4.11Å; L190-K192 PolarHBondContact O-N 2.99Å; L190-K192 VanDerWaalsContact O-N 3.15Å; K192-Q194 PolarHBondContact O-N 3.4Å
193	P	64.4	Low	76	Confident	134 Å²	134	54.1 Å²	54.1	87%	0.87	27%	0.27	S	S	*	.			trans	-73.5	97.8	174.9	28.2	-30.7	0	0	0	109.4
194	Q	62.2	Low	76.5	Confident	37 Å²	37	53.6 Å²	53.6	17%	0.173	27%	0.267	C	S	.	.			trans	-97.1	139.5	175.6	-148.9	-174.5	27.8	0	0	110.9	D183 E186 K192	D183-Q194 PolarHBondContact O-OE1 2.93Å; D183-Q194 VanDerWaalsContact O-OE1 3.09Å; D183-Q194 PolarHBondContact OD1-NE2 3.27Å; D183-Q194 VanDerWaalsContact OD1-NE2 3.11Å; E186-Q194 WeakPolarHBondContact OE2-CG 3.45Å; E186-Q194 PolarHBondContact OE2-NE2 3.34Å; K192-Q194 PolarHBondContact O-N 3.4Å
195	Q	54.8	Low	77.1	Confident	203 Å²	203	53.5 Å²	53.5	95%	0.949	27%	0.266	S	S	*	.			trans	-92.3	-4.3	-179.5	-67.6	-177.3	-8.8	0	0	114
196	K	64.3	Low	77.8	Confident	133 Å²	133	53.8 Å²	53.8	58%	0.578	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-86.7	131	-179.1	-70.2	-175.1	-179.2	178.1	0	110.4
197	A	64.2	Low	78.4	Confident	30 Å²	30	52.5 Å²	52.5	25%	0.248	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-91	143.3	175.6	0	0	0	0	0	110.1	K169	K169-A197 HydrophobicContact CB-CB 3.3Å; K169-A197 HydrophobicContact CD-CB 3.68Å; K169-A197 HydrophobicContact CG-CB 4.11Å
198	F	70.1	Confident	79.3	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.009	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-84.7	137.4	-173.5	-50.3	-63.2	0	0	0	110.6	K169 F170 D183 M184 R187 V202	K169-F198 CarbonylContact C-O 3.49Å; K169-F198 WeakPolarHBondContact CA-O 3.26Å; F170-F198 HydrophobicContact CD1-CB 3.9Å; F170-F198 WeakPolarHBondContact CD1-O 3.4Å; F170-F198 HydrophobicContact CD2-CB 4.07Å; F170-F198 AromaticContact CD2-CD2 3.72Å; F170-F198 HydrophobicContact CD2-CD2 3.72Å; F170-F198 HydrophobicContact CD2-CG 4.37Å; F170-F198 HydrophobicContact CE1-CB 3.47Å; F170-F198 VanDerWaalsContact CE1-CB 3.47Å; F170-F198 HydrophobicContact CE2-CB 3.65Å; F170-F198 AromaticContact CE2-CD2 3.5Å; F170-F198 HydrophobicContact CE2-CD2 3.5Å; F170-F198 VanDerWaalsContact CE2-CD2 3.5Å; F170-F198 AromaticContact CE2-CG 3.91Å; F170-F198 HydrophobicContact CE2-CG 3.91Å; F170-F198 HydrophobicContact CG-CB 4.19Å; F170-F198 HydrophobicContact CG-CD2 4.47Å; F170-F198 HydrophobicContact CZ-CB 3.32Å; F170-F198 HydrophobicContact CZ-CD2 4.1Å; F170-F198 HydrophobicContact CZ-CG 4.01Å; F170-F198 PolarHBondContact N-O 2.82Å; F170-F198 WeakPolarHBondContact O-CD2 3.45Å; F170-F198 PolarHBondContact O-N 2.97Å; D183-F198 VanDerWaalsContact C-CE1 3.41Å; D183-F198 HydrophobicContact CB-CD1 4.08Å; D183-F198 HydrophobicContact CB-CE1 3.72Å; D183-F198 WeakPolarHBondContact O-CE1 3.39Å; M184-F198 HydrophobicContact CB-CE1 4.2Å; M184-F198 HydrophobicContact CB-CZ 4.46Å; M184-F198 HydrophobicContact CG-CD1 3.54Å; M184-F198 HydrophobicContact CG-CD2 4.29Å; M184-F198 HydrophobicContact CG-CE1 3.59Å; M184-F198 HydrophobicContact CG-CE2 4.31Å; M184-F198 HydrophobicContact CG-CG 3.92Å; M184-F198 HydrophobicContact CG-CZ 3.98Å; R187-F198 HydrophobicContact CB-CZ 4.32Å; F198-V202 HydrophobicContact CB-CG1 4.11Å
199	G	71.9	Confident	80.3	Confident	16 Å²	16	47.1 Å²	47.1	17%	0.165	24%	0.235	C	C	.	.			trans	-99.6	-177.3	174.6	0	0	0	0	0	112.8	T201 V202	G199-T201 PolarHBondContact O-N 3.4Å; G199-V202 WeakPolarHBondContact O-CG1 3.45Å; G199-V202 PolarHBondContact O-N 3Å
200	V	78.4	Confident	81.2	Confident	16 Å²	16	46.2 Å²	46.2	10%	0.097	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.2	178.7	-59.2	0	0	0	0	113.4	V132 L164 V202 F295	V132-V200 HydrophobicContact CG2-CB 4.09Å; V132-V200 HydrophobicContact CG2-CG1 3.8Å; L164-V200 HydrophobicContact CB-CG1 4.45Å; V200-V202 PolarHBondContact O-N 3.22Å; V200-V202 VanDerWaalsContact O-N 3.14Å; V200-F295 HydrophobicContact CB-CE2 3.88Å; V200-F295 HydrophobicContact CG2-CD2 4.09Å; V200-F295 HydrophobicContact CG2-CE2 3.76Å; V200-F295 WeakPolarHBondContact O-CE2 3.31Å; V200-F295 WeakPolarHBondContact O-CZ 3.31Å
201	T	84.7	Confident	82.1	Confident	32 Å²	32	44.9 Å²	44.9	20%	0.196	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.9	-177.8	57.1	0	0	0	0	114.8	G199 D203 L204 W205	G199-T201 PolarHBondContact O-N 3.4Å; T201-D203 PolarHBondContact O-N 3.39Å; T201-L204 HydrophobicContact CG2-CD1 4.36Å; T201-L204 WeakPolarHBondContact O-CB 3.49Å; T201-L204 PolarHBondContact O-N 3.33Å; T201-W205 PolarHBondContact O-N 2.94Å
202	V	86.4	Confident	83	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.024	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-33.5	175.5	-64.3	0	0	0	0	112.6	V132 R134 F170 H181 M184 F198 G199 V200 L204 W205 S206	V132-V202 HydrophobicContact CG1-CG2 4.17Å; R134-V202 HydrophobicContact CG-CG2 4.32Å; F170-V202 HydrophobicContact CE1-CG2 4.29Å; F170-V202 HydrophobicContact CZ-CG1 4.35Å; F170-V202 HydrophobicContact CZ-CG2 4.04Å; H181-V202 HydrophobicContact CB-CB 4.39Å; H181-V202 HydrophobicContact CB-CG1 4.2Å; M184-V202 HydrophobicContact CG-CG1 4.23Å; M184-V202 HydrophobicContact SD-CB 3.74Å; M184-V202 HydrophobicContact SD-CG1 3.59Å; M184-V202 VanDerWaalsContact SD-CG1 3.59Å; M184-V202 HydrophobicContact SD-CG2 4.21Å; F198-V202 HydrophobicContact CB-CG1 4.11Å; G199-V202 WeakPolarHBondContact O-CG1 3.45Å; G199-V202 PolarHBondContact O-N 3Å; V200-V202 PolarHBondContact O-N 3.22Å; V200-V202 VanDerWaalsContact O-N 3.14Å; V202-L204 VanDerWaalsContact C-N 3.3Å; V202-L204 PolarHBondContact O-N 3.27Å; V202-W205 PolarHBondContact O-N 3.18Å; V202-S206 PolarHBondContact O-N 3.31Å; V202-S206 PolarHBondContact O-OG 3.17Å
203	D	90.6	Very high	84	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.011	17%	0.17	C	C	.	.	H	α-helix	trans	-70.8	-28.8	177.4	-81.7	-6.1	0	0	0	111.6	M123 V132 H133 R134 I136 T201 W205 S206 I207 F295	M123-D203 HydrophobicContact CE-CB 3.71Å; V132-D203 VanDerWaalsContact CG1-OD2 3.28Å; V132-D203 WeakPolarHBondContact CG1-OD2 3.45Å; H133-D203 PolarHBondContact N-OD2 3.37Å; R134-D203 WeakPolarHBondContact CA-OD1 3.29Å; R134-D203 PolarHBondContact N-OD1 3.18Å; I136-D203 HydrophobicContact CD1-CB 3.73Å; T201-D203 PolarHBondContact O-N 3.39Å; D203-W205 VanDerWaalsContact C-N 3.34Å; D203-S206 PolarHBondContact O-N 3.42Å; D203-I207 WeakPolarHBondContact O-CB 3.26Å; D203-I207 VanDerWaalsContact O-CG2 3.29Å; D203-I207 WeakPolarHBondContact O-CG2 3.14Å; D203-I207 PolarHBondContact O-N 3.21Å; D203-F295 HydrophobicContact CB-CZ 4.26Å
204	L	94.7	Very high	85.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.4	-35.5	174.7	-66.1	-179.6	0	0	0	112	T201 V202 I207 G208 I284 W293 F295 F298	T201-L204 HydrophobicContact CG2-CD1 4.36Å; T201-L204 WeakPolarHBondContact O-CB 3.49Å; T201-L204 PolarHBondContact O-N 3.33Å; V202-L204 VanDerWaalsContact C-N 3.3Å; V202-L204 PolarHBondContact O-N 3.27Å; L204-I207 HydrophobicContact CD2-CG2 4.43Å; L204-I207 WeakPolarHBondContact O-CG2 3.38Å; L204-G208 PolarHBondContact O-N 3.34Å; L204-I284 HydrophobicContact CB-CB 4.23Å; L204-I284 HydrophobicContact CB-CG2 4.46Å; L204-W293 WeakPolarHBondContact CD1-O 3.48Å; L204-F295 HydrophobicContact CD1-CD2 4.45Å; L204-F295 HydrophobicContact CD1-CE2 4.48Å; L204-F295 HydrophobicContact CD1-CG 4.46Å; L204-F295 HydrophobicContact CD2-CD1 3.72Å; L204-F295 HydrophobicContact CD2-CE1 3.54Å; L204-F295 HydrophobicContact CD2-CG 4.43Å; L204-F295 HydrophobicContact CD2-CZ 4.14Å; L204-F295 HydrophobicContact CG-CD1 4.22Å; L204-F295 HydrophobicContact CG-CE1 3.86Å; L204-F295 HydrophobicContact CG-CE2 4.31Å; L204-F295 HydrophobicContact CG-CZ 3.92Å; L204-F298 HydrophobicContact CD2-CB 4.04Å; L204-F298 HydrophobicContact CD2-CD1 3.72Å; L204-F298 HydrophobicContact CD2-CD2 4.32Å; L204-F298 HydrophobicContact CD2-CE1 4.25Å; L204-F298 HydrophobicContact CD2-CG 3.75Å
205	W	95.3	Very high	87.4	Confident	3 Å²	3	23.4 Å²	23.4	1%	0.011	12%	0.12	C	C	.	.	H	α-helix	trans	-66.6	-50.6	171.8	180	-82.5	0	0	0	111.4	L180 H181 P182 T201 V202 D203 I207 G208 V209 F221 T238 L285 V287	L180-W205 PolarHBondContact O-NE1 3.25Å; H181-W205 HydrophobicContact CB-CB 4.24Å; H181-W205 HydrophobicContact CB-CG 4.19Å; P182-W205 HydrophobicContact CG-CH2 4.14Å; P182-W205 HydrophobicContact CG-CZ2 4.39Å; P182-W205 HydrophobicContact CG-CZ3 4.26Å; T201-W205 PolarHBondContact O-N 2.94Å; V202-W205 PolarHBondContact O-N 3.18Å; D203-W205 VanDerWaalsContact C-N 3.34Å; W205-I207 VanDerWaalsContact C-N 3.31Å; W205-I207 PolarHBondContact O-N 2.97Å; W205-G208 WeakPolarHBondContact O-CA 3.25Å; W205-G208 PolarHBondContact O-N 3.35Å; W205-V209 WeakPolarHBondContact O-CG2 3.45Å; W205-V209 PolarHBondContact O-N 3.21Å; W205-F221 AromaticContact CH2-CE2 3.91Å; W205-F221 HydrophobicContact CH2-CE2 3.91Å; W205-F221 HydrophobicContact CH2-CZ 4.21Å; W205-F221 HydrophobicContact CZ2-CD2 4.16Å; W205-F221 AromaticContact CZ2-CE2 3.59Å; W205-F221 HydrophobicContact CZ2-CE2 3.59Å; W205-F221 HydrophobicContact CZ2-CZ 4.34Å; W205-T238 HydrophobicContact CH2-CG2 4.46Å; W205-T238 HydrophobicContact CZ2-CG2 3.88Å; W205-L285 HydrophobicContact CD2-CD2 4.04Å; W205-L285 HydrophobicContact CE3-CB 4.49Å; W205-L285 HydrophobicContact CE3-CD2 4.19Å; W205-L285 HydrophobicContact CG-CD2 4.42Å; W205-L285 HydrophobicContact CZ3-CB 4.34Å; W205-V287 HydrophobicContact CH2-CG2 4.26Å; W205-V287 HydrophobicContact CZ3-CG2 4.01Å
206	S	95.2	Very high	89.4	Confident	7 Å²	7	13.9 Å²	13.9	5%	0.049	8%	0.076	C	C	.	.	H	α-helix	trans	-61.5	-37.6	-178.7	-65.4	0	0	0	0	112.6	I136 Y179 V202 D203 T210	I136-S206 WeakPolarHBondContact O-CB 3.27Å; Y179-S206 PolarHBondContact O-OG 2.73Å; V202-S206 PolarHBondContact O-N 3.31Å; V202-S206 PolarHBondContact O-OG 3.17Å; D203-S206 PolarHBondContact O-N 3.42Å; S206-T210 WeakPolarHBondContact O-CB 3.38Å; S206-T210 PolarHBondContact O-N 3.15Å; S206-T210 PolarHBondContact O-OG1 3.1Å
207	I	96.8	Very high	91	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-69.4	-38.5	172.3	-169.3	56	0	0	0	111.7	V119 I136 D203 L204 W205 V209 T210 L211 I284 F298	V119-I207 HydrophobicContact CB-CD1 4.26Å; V119-I207 HydrophobicContact CG1-CD1 3.25Å; V119-I207 HydrophobicContact CG1-CG1 4.25Å; I136-I207 HydrophobicContact CG2-CD1 4.29Å; D203-I207 WeakPolarHBondContact O-CB 3.26Å; D203-I207 VanDerWaalsContact O-CG2 3.29Å; D203-I207 WeakPolarHBondContact O-CG2 3.14Å; D203-I207 PolarHBondContact O-N 3.21Å; L204-I207 HydrophobicContact CD2-CG2 4.43Å; L204-I207 WeakPolarHBondContact O-CG2 3.38Å; W205-I207 VanDerWaalsContact C-N 3.31Å; W205-I207 PolarHBondContact O-N 2.97Å; I207-V209 PolarHBondContact O-N 3.02Å; I207-T210 HydrophobicContact CD1-CG2 4.33Å; I207-T210 CarbonylContact O-C 3.51Å; I207-T210 WeakPolarHBondContact O-CB 3.41Å; I207-T210 PolarHBondContact O-N 3.12Å; I207-T210 VanDerWaalsContact O-N 3.14Å; I207-L211 HydrophobicContact CD1-CD2 4.39Å; I207-L211 HydrophobicContact CD1-CG 4.09Å; I207-L211 HydrophobicContact CG1-CD1 4.09Å; I207-L211 HydrophobicContact CG1-CG 4.1Å; I207-L211 WeakPolarHBondContact O-CB 3.37Å; I207-L211 WeakPolarHBondContact O-CG 3.2Å; I207-L211 PolarHBondContact O-N 2.91Å; I207-I284 HydrophobicContact CG2-CD1 4.22Å; I207-F298 HydrophobicContact CG1-CZ 4.31Å; I207-F298 HydrophobicContact CG2-CE2 4.47Å; I207-F298 HydrophobicContact CG2-CZ 4.19Å
208	G	97.9	Very high	92.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.1	-46.2	174.1	0	0	0	0	0	112.7	L204 W205 T210 L211 Y212 L281	L204-G208 PolarHBondContact O-N 3.34Å; W205-G208 WeakPolarHBondContact O-CA 3.25Å; W205-G208 PolarHBondContact O-N 3.35Å; G208-T210 VanDerWaalsContact C-N 3.31Å; G208-T210 PolarHBondContact O-N 2.84Å; G208-L211 PolarHBondContact O-N 3.03Å; G208-Y212 WeakPolarHBondContact O-CB 3.47Å; G208-Y212 PolarHBondContact O-N 3.25Å; G208-L281 WeakPolarHBondContact O-CD2 3.36Å
209	V	98.3	Very high	93.6	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.9	-40.9	175.1	178.3	0	0	0	0	110.8	Y179 W205 I207 H213 L219 P220 L285	Y179-V209 HydrophobicContact CD1-CB 3.9Å; Y179-V209 HydrophobicContact CD1-CG1 3.39Å; Y179-V209 HydrophobicContact CE1-CG1 3.72Å; Y179-V209 HydrophobicContact CG-CG1 4.1Å; W205-V209 WeakPolarHBondContact O-CG2 3.45Å; W205-V209 PolarHBondContact O-N 3.21Å; I207-V209 PolarHBondContact O-N 3.02Å; V209-H213 WeakPolarHBondContact O-CB 3.38Å; V209-H213 PolarHBondContact O-N 3.46Å; V209-L219 HydrophobicContact CG1-CD2 4.15Å; V209-P220 HydrophobicContact CB-CG 4.29Å; V209-P220 HydrophobicContact CG1-CG 3.92Å; V209-P220 HydrophobicContact CG2-CG 4.11Å; V209-L285 HydrophobicContact CG2-CD2 3.83Å
210	T	98.4	Very high	94.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.5	-45.8	178.6	-64.1	0	0	0	0	112.2	L94 P138 I141 S206 I207 G208 H213 A214	L94-T210 HydrophobicContact CD2-CG2 4.32Å; P138-T210 HydrophobicContact CG-CG2 4.12Å; I141-T210 HydrophobicContact CD1-CG2 3.65Å; S206-T210 WeakPolarHBondContact O-CB 3.38Å; S206-T210 PolarHBondContact O-N 3.15Å; S206-T210 PolarHBondContact O-OG1 3.1Å; I207-T210 HydrophobicContact CD1-CG2 4.33Å; I207-T210 CarbonylContact O-C 3.51Å; I207-T210 WeakPolarHBondContact O-CB 3.41Å; I207-T210 PolarHBondContact O-N 3.12Å; I207-T210 VanDerWaalsContact O-N 3.14Å; G208-T210 VanDerWaalsContact C-N 3.31Å; G208-T210 PolarHBondContact O-N 2.84Å; T210-H213 PolarHBondContact O-N 3.49Å; T210-A214 WeakPolarHBondContact O-CB 3.38Å; T210-A214 PolarHBondContact O-N 3.09Å
211	L	98.6	Very high	95.7	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-66.7	-40.9	178.1	-69	177.7	0	0	0	111.1	F112 L116 I207 G208 H213 A214 A215 L281	F112-L211 HydrophobicContact CE2-CD2 4.44Å; F112-L211 WeakPolarHBondContact CE2-O 3.45Å; F112-L211 HydrophobicContact CZ-CD2 4.31Å; L116-L211 HydrophobicContact CD1-CD1 3.98Å; L116-L211 HydrophobicContact CD1-CD2 4.02Å; I207-L211 HydrophobicContact CD1-CD2 4.39Å; I207-L211 HydrophobicContact CD1-CG 4.09Å; I207-L211 HydrophobicContact CG1-CD1 4.09Å; I207-L211 HydrophobicContact CG1-CG 4.1Å; I207-L211 WeakPolarHBondContact O-CB 3.37Å; I207-L211 WeakPolarHBondContact O-CG 3.2Å; I207-L211 PolarHBondContact O-N 2.91Å; G208-L211 PolarHBondContact O-N 3.03Å; L211-H213 VanDerWaalsContact C-N 3.34Å; L211-H213 PolarHBondContact O-N 3.09Å; L211-A214 PolarHBondContact O-N 2.84Å; L211-A215 WeakPolarHBondContact O-CB 3.35Å; L211-A215 PolarHBondContact O-N 2.87Å; L211-L281 HydrophobicContact CB-CD2 3.99Å
212	Y	98.8	Very high	96.1	Very high	19 Å²	19	11.5 Å²	11.5	8%	0.075	7%	0.068	C	C	.	.	H	α-helix	trans	-60.4	-44.8	172.9	-174.4	-79.3	0	0	0	111.5	G208 A214 A215 T216 S218 P220 I246 A247 L263 L281	G208-Y212 WeakPolarHBondContact O-CB 3.47Å; G208-Y212 PolarHBondContact O-N 3.25Å; Y212-A214 PolarHBondContact O-N 3.48Å; Y212-A215 PolarHBondContact O-N 3.14Å; Y212-T216 HydrophobicContact CD1-CG2 4.18Å; Y212-T216 WeakPolarHBondContact CD1-OG1 3.12Å; Y212-T216 HydrophobicContact CE1-CG2 3.82Å; Y212-T216 WeakPolarHBondContact CE1-OG1 3.4Å; Y212-T216 HydrophobicContact CE2-CG2 4.21Å; Y212-T216 WeakPolarHBondContact O-CB 3.45Å; Y212-T216 WeakPolarHBondContact O-CG2 3.32Å; Y212-T216 PolarHBondContact O-N 3.31Å; Y212-T216 PolarHBondContact O-OG1 3.11Å; Y212-S218 WeakPolarHBondContact CD1-O 3.41Å; Y212-S218 WeakPolarHBondContact CE1-O 3.45Å; Y212-P220 HydrophobicContact CD1-CB 3.61Å; Y212-P220 HydrophobicContact CD1-CG 4.1Å; Y212-P220 HydrophobicContact CD2-CB 4.06Å; Y212-P220 VanDerWaalsContact CE1-CA 3.43Å; Y212-P220 HydrophobicContact CE1-CB 3.92Å; Y212-P220 HydrophobicContact CE2-CB 4.34Å; Y212-P220 HydrophobicContact CG-CB 3.7Å; Y212-P220 HydrophobicContact CG-CG 4.22Å; Y212-I246 HydrophobicContact CD2-CD1 4.49Å; Y212-I246 HydrophobicContact CE2-CD1 4.17Å; Y212-I246 HydrophobicContact CE2-CG1 4.22Å; Y212-A247 HydrophobicContact CE2-CB 3.81Å; Y212-A247 WeakPolarHBondContact OH-CB 3.44Å; Y212-L263 HydrophobicContact CD2-CD2 3.94Å; Y212-L263 HydrophobicContact CE2-CD2 3.78Å; Y212-L281 HydrophobicContact CD2-CD1 4.25Å
213	H	98.3	Very high	96.4	Very high	22 Å²	22	11.4 Å²	11.4	10%	0.102	7%	0.067	C	C	.	.	H	α-helix	trans	-63.9	-40.8	177.8	-170.9	-174.7	0	0	0	111.7	Y179 V209 T210 L211 A215 T216 G217 S218	Y179-H213 AromaticContact CZ-ND1 3.94Å; Y179-H213 PolarHBondContact OH-CE1 2.63Å; Y179-H213 PolarHBondContact OH-ND1 2.63Å; V209-H213 WeakPolarHBondContact O-CB 3.38Å; V209-H213 PolarHBondContact O-N 3.46Å; T210-H213 PolarHBondContact O-N 3.49Å; L211-H213 VanDerWaalsContact C-N 3.34Å; L211-H213 PolarHBondContact O-N 3.09Å; H213-A215 PolarHBondContact O-N 2.88Å; H213-T216 PolarHBondContact O-N 2.79Å; H213-G217 VanDerWaalsContact CD2-C 3.49Å; H213-G217 VanDerWaalsContact O-CA 3.29Å; H213-G217 WeakPolarHBondContact O-CA 3.09Å; H213-G217 PolarHBondContact O-N 2.89Å; H213-S218 WeakPolarHBondContact CA-O 3.4Å
214	A	98.7	Very high	96.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-39.3	174.3	0	0	0	0	0	112.5	G106 L107 F112 T210 L211 Y212	G106-A214 CarbonylContact C-O 3.38Å; G106-A214 WeakPolarHBondContact CA-O 3.39Å; L107-A214 HydrophobicContact CD1-CB 4.03Å; L107-A214 PolarHBondContact N-O 3.28Å; F112-A214 HydrophobicContact CD2-CB 4.05Å; F112-A214 HydrophobicContact CE2-CB 4.09Å; T210-A214 WeakPolarHBondContact O-CB 3.38Å; T210-A214 PolarHBondContact O-N 3.09Å; L211-A214 PolarHBondContact O-N 2.84Å; Y212-A214 PolarHBondContact O-N 3.48Å
215	A	98.7	Very high	96	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72.9	-28.7	-179.9	0	0	0	0	0	113.7	F112 L211 Y212 H213 C267 L269 L277	F112-A215 HydrophobicContact CD2-CB 4.23Å; F112-A215 HydrophobicContact CE2-CB 3.79Å; F112-A215 HydrophobicContact CZ-CB 4.43Å; L211-A215 WeakPolarHBondContact O-CB 3.35Å; L211-A215 PolarHBondContact O-N 2.87Å; Y212-A215 PolarHBondContact O-N 3.14Å; H213-A215 PolarHBondContact O-N 2.88Å; A215-C267 PolarHBondContact O-SG 2.87Å; A215-L269 HydrophobicContact CB-CD1 3.74Å; A215-L269 HydrophobicContact CB-CG 4.49Å; A215-L277 HydrophobicContact CB-CD2 4.24Å
216	T	98	Very high	95.5	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-122.4	-13.6	-168.8	68.3	0	0	0	0	115.1	F105 G106 Y212 H213 S218 L263 P264	F105-T216 VanDerWaalsContact C-C 3.41Å; F105-T216 CarbonylContact C-O 3.47Å; F105-T216 VanDerWaalsContact CA-O 3.3Å; F105-T216 WeakPolarHBondContact CA-O 3.46Å; G106-T216 PolarHBondContact N-O 2.81Å; Y212-T216 HydrophobicContact CD1-CG2 4.18Å; Y212-T216 WeakPolarHBondContact CD1-OG1 3.12Å; Y212-T216 HydrophobicContact CE1-CG2 3.82Å; Y212-T216 WeakPolarHBondContact CE1-OG1 3.4Å; Y212-T216 HydrophobicContact CE2-CG2 4.21Å; Y212-T216 WeakPolarHBondContact O-CB 3.45Å; Y212-T216 WeakPolarHBondContact O-CG2 3.32Å; Y212-T216 PolarHBondContact O-N 3.31Å; Y212-T216 PolarHBondContact O-OG1 3.11Å; H213-T216 PolarHBondContact O-N 2.79Å; T216-S218 PolarHBondContact O-N 2.8Å; T216-S218 PolarHBondContact OG1-N 2.92Å; T216-S218 PolarHBondContact OG1-O 3.42Å; T216-L263 HydrophobicContact CG2-CD2 3.67Å; T216-P264 HydrophobicContact CG2-CG 3.92Å
217	G	96.3	Very high	95	Very high	16 Å²	16	18.9 Å²	18.9	17%	0.165	12%	0.119	C	C	.	.	S	Bend	trans	71.2	4.3	-173.3	0	0	0	0	0	113.7	G106 H213	G106-G217 VanDerWaalsContact CA-N 3.34Å; H213-G217 VanDerWaalsContact CD2-C 3.49Å; H213-G217 VanDerWaalsContact O-CA 3.29Å; H213-G217 WeakPolarHBondContact O-CA 3.09Å; H213-G217 PolarHBondContact O-N 2.89Å
218	S	93.7	Very high	94.3	Very high	57 Å²	57	26.3 Å²	26.3	40%	0.399	15%	0.147	S	C	.	.	S	Bend	trans	-133.2	155.5	-179.4	-66.7	0	0	0	0	111.4	Y212 H213 T216	Y212-S218 WeakPolarHBondContact CD1-O 3.41Å; Y212-S218 WeakPolarHBondContact CE1-O 3.45Å; H213-S218 WeakPolarHBondContact CA-O 3.4Å; T216-S218 PolarHBondContact O-N 2.8Å; T216-S218 PolarHBondContact OG1-N 2.92Å; T216-S218 PolarHBondContact OG1-O 3.42Å
219	L	96	Very high	93.7	Very high	33 Å²	33	36.8 Å²	36.8	17%	0.173	19%	0.187	C	C	.	.			trans	-69.6	149.1	173.7	-67.2	168.6	0	0	0	111	E178 Y179 V209 I222 P227	E178-L219 HydrophobicContact CB-CD1 3.79Å; E178-L219 HydrophobicContact CB-CD2 4.18Å; E178-L219 HydrophobicContact CG-CD1 3.8Å; Y179-L219 HydrophobicContact CE1-CD2 4.19Å; Y179-L219 HydrophobicContact CE2-CD2 4.31Å; V209-L219 HydrophobicContact CG1-CD2 4.15Å; L219-I222 HydrophobicContact CB-CG1 4.3Å; L219-I222 WeakPolarHBondContact O-CD1 3.34Å; L219-I222 WeakPolarHBondContact O-CG1 3.42Å; L219-P227 HydrophobicContact CD1-CG 4.22Å
220	P	97.2	Very high	93.2	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.026	20%	0.197	C	C	.	.	S	Bend	trans	-69.4	-32.1	177.7	25.1	-31.7	0	0	0	113.1	V209 Y212 I246 A247 G248	V209-P220 HydrophobicContact CB-CG 4.29Å; V209-P220 HydrophobicContact CG1-CG 3.92Å; V209-P220 HydrophobicContact CG2-CG 4.11Å; Y212-P220 HydrophobicContact CD1-CB 3.61Å; Y212-P220 HydrophobicContact CD1-CG 4.1Å; Y212-P220 HydrophobicContact CD2-CB 4.06Å; Y212-P220 VanDerWaalsContact CE1-CA 3.43Å; Y212-P220 HydrophobicContact CE1-CB 3.92Å; Y212-P220 HydrophobicContact CE2-CB 4.34Å; Y212-P220 HydrophobicContact CG-CB 3.7Å; Y212-P220 HydrophobicContact CG-CG 4.22Å; P220-I246 WeakPolarHBondContact CB-O 3.32Å; P220-A247 HydrophobicContact CB-CB 4.36Å; P220-A247 CarbonylContact O-C 3.59Å; P220-A247 WeakPolarHBondContact O-CA 3.43Å; P220-A247 VanDerWaalsContact O-CB 3.27Å; P220-A247 WeakPolarHBondContact O-CB 3.28Å; P220-G248 PolarHBondContact O-N 3.06Å
221	F	96.3	Very high	92.8	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114	-174.4	-53.9	-61.8	0	0	0	110.6	W205 M234 I237 T238 K241 G248 L285	W205-F221 AromaticContact CH2-CE2 3.91Å; W205-F221 HydrophobicContact CH2-CE2 3.91Å; W205-F221 HydrophobicContact CH2-CZ 4.21Å; W205-F221 HydrophobicContact CZ2-CD2 4.16Å; W205-F221 AromaticContact CZ2-CE2 3.59Å; W205-F221 HydrophobicContact CZ2-CE2 3.59Å; W205-F221 HydrophobicContact CZ2-CZ 4.34Å; F221-M234 HydrophobicContact CB-CE 3.92Å; F221-M234 HydrophobicContact CB-SD 4.12Å; F221-I237 HydrophobicContact CB-CG2 3.8Å; F221-I237 HydrophobicContact CD1-CG2 3.59Å; F221-I237 HydrophobicContact CG-CG2 4.04Å; F221-T238 HydrophobicContact CB-CG2 4.11Å; F221-T238 HydrophobicContact CD2-CG2 3.74Å; F221-T238 HydrophobicContact CE2-CG2 4.34Å; F221-T238 HydrophobicContact CG-CG2 3.89Å; F221-K241 HydrophobicContact CE1-CD 3.56Å; F221-K241 HydrophobicContact CE1-CG 4.39Å; F221-K241 HydrophobicContact CZ-CD 3.62Å; F221-G248 CarbonylContact C-O 3.45Å; F221-G248 VanDerWaalsContact CA-O 3.28Å; F221-G248 WeakPolarHBondContact CA-O 3.47Å; F221-L285 HydrophobicContact CE2-CD2 4.46Å; F221-L285 HydrophobicContact CZ-CD1 4.48Å
222	I	94.1	Very high	92.4	Very high	67 Å²	67	47.6 Å²	47.6	34%	0.344	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	103.1	-171	-53.1	178.7	0	0	0	110.1	L219 G248 A249 Q250	L219-I222 HydrophobicContact CB-CG1 4.3Å; L219-I222 WeakPolarHBondContact O-CD1 3.34Å; L219-I222 WeakPolarHBondContact O-CG1 3.42Å; I222-G248 PolarHBondContact N-O 3.25Å; I222-A249 HydrophobicContact CB-CB 4.47Å; I222-A249 CarbonylContact O-C 3.47Å; I222-A249 VanDerWaalsContact O-CA 3.31Å; I222-A249 WeakPolarHBondContact O-CA 3.03Å; I222-Q250 PolarHBondContact O-N 3.05Å
223	P	93.3	Very high	92	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.239	C	C	.	.			trans	-74.6	159.6	170.4	33.6	-36.5	0	0	0	110.9	G225 G226 P227 N230 I233 M234 I237	P223-G225 PolarHBondContact O-N 3.06Å; P223-G226 PolarHBondContact O-N 3.42Å; P223-P227 HydrophobicContact CG-CB 4.42Å; P223-N230 HydrophobicContact CB-CB 4.08Å; P223-N230 HydrophobicContact CG-CB 4.25Å; P223-I233 HydrophobicContact CB-CB 3.86Å; P223-I233 HydrophobicContact CB-CG2 3.57Å; P223-M234 HydrophobicContact CG-CB 4.24Å; P223-I237 HydrophobicContact CB-CD1 4.1Å
224	F	91.4	Very high	91.7	Very high	83 Å²	83	46.8 Å²	46.8	36%	0.364	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	131.7	174.1	-177.3	-100.8	0	0	0	110	G226 N230 Q250 R251 R252 E253	F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 2.97Å; F224-N230 PolarHBondContact O-ND2 2.89Å; F224-Q250 WeakPolarHBondContact CA-O 3.38Å; F224-Q250 HydrophobicContact CB-CB 4.38Å; F224-Q250 HydrophobicContact CB-CG 4.14Å; F224-Q250 PolarHBondContact N-O 3.33Å; F224-R251 VanDerWaalsContact CD2-O 3.31Å; F224-R251 WeakPolarHBondContact CD2-O 3.43Å; F224-R252 VanDerWaalsContact CD2-CA 3.43Å; F224-E253 HydrophobicContact CD1-CB 3.65Å; F224-E253 HydrophobicContact CD1-CG 4.17Å; F224-E253 HydrophobicContact CE1-CB 3.6Å; F224-E253 HydrophobicContact CE1-CG 4.28Å; F224-E253 HydrophobicContact CG-CB 4.43Å; F224-E253 HydrophobicContact CZ-CB 4.35Å
225	G	84.6	Confident	91.4	Very high	45 Å²	45	48.7 Å²	48.7	46%	0.464	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-5.5	-175	0	0	0	0	0	115.1	P223 R229	P223-G225 PolarHBondContact O-N 3.06Å; G225-R229 WeakPolarHBondContact O-CD 3.06Å
226	G	85.9	Confident	91.2	Very high	20 Å²	20	52.8 Å²	52.8	21%	0.206	26%	0.258	C	S	.	.			trans	97.5	155.5	172.7	0	0	0	0	0	114.9	P223 F224 R228 R229 N230	P223-G226 PolarHBondContact O-N 3.42Å; F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 2.97Å; G226-R228 VanDerWaalsContact C-N 3.3Å; G226-R228 PolarHBondContact O-N 3.1Å; G226-R229 PolarHBondContact O-N 3.21Å; G226-R229 VanDerWaalsContact O-N 3.08Å; G226-N230 PolarHBondContact O-N 3.37Å
227	P	82.9	Confident	91	Very high	21 Å²	21	52.6 Å²	52.6	14%	0.136	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-31.1	-165.3	23.2	-34.2	0	0	0	114.5	E178 L219 P223 M234	E178-P227 HydrophobicContact CG-CB 4.03Å; E178-P227 HydrophobicContact CG-CG 3.61Å; L219-P227 HydrophobicContact CD1-CG 4.22Å; P223-P227 HydrophobicContact CG-CB 4.42Å; P227-M234 HydrophobicContact CB-CG 4.32Å; P227-M234 HydrophobicContact CB-SD 3.95Å
228	R	82.4	Confident	90.8	Very high	158 Å²	158	52 Å²	52	60%	0.596	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-25.4	179.4	-59.4	-170.6	-173.7	-174.6	-1.8	114	E178 G226 K231	E178-R228 IonicContact OE1-CZ 2.74Å; E178-R228 VanDerWaalsContact OE1-CZ 3.22Å; E178-R228 IonicContact OE1-NE 3.69Å; E178-R228 PolarHBondContact OE1-NE 3.49Å; E178-R228 IonicContact OE1-NH2 2.95Å; E178-R228 PolarHBondContact OE1-NH2 3.05Å; E178-R228 IonicContact OE2-NH2 2.79Å; G226-R228 VanDerWaalsContact C-N 3.3Å; G226-R228 PolarHBondContact O-N 3.1Å; R228-K231 WeakPolarHBondContact O-CE 3.47Å
229	R	85.8	Confident	90.7	Very high	220 Å²	220	51.3 Å²	51.3	83%	0.83	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-32.3	-178.6	-68.2	-168.1	-178.9	178	-1.8	111.7	G225 G226	G225-R229 WeakPolarHBondContact O-CD 3.06Å; G226-R229 PolarHBondContact O-N 3.21Å; G226-R229 VanDerWaalsContact O-N 3.08Å
230	N	88.5	Confident	90.6	Very high	42 Å²	42	55.5 Å²	55.5	23%	0.225	26%	0.262	C	S	.	.			trans	-124.6	73.7	-173.8	-161.1	-13.3	0	0	0	111.1	P223 F224 G226 I233 M234	P223-N230 HydrophobicContact CB-CB 4.08Å; P223-N230 HydrophobicContact CG-CB 4.25Å; F224-N230 PolarHBondContact O-ND2 2.89Å; G226-N230 PolarHBondContact O-N 3.37Å; N230-I233 WeakPolarHBondContact ND2-CG1 3.46Å; N230-I233 PolarHBondContact O-N 3.35Å; N230-I233 WeakPolarHBondContact OD1-CB 3.38Å; N230-I233 WeakPolarHBondContact OD1-CG1 3.5Å; N230-I233 PolarHBondContact OD1-N 2.93Å; N230-M234 WeakPolarHBondContact O-CB 3.39Å; N230-M234 PolarHBondContact O-N 3.4Å
231	K	89.2	Confident	90.4	Very high	64 Å²	64	55.9 Å²	55.9	28%	0.278	26%	0.263	S	S	.	.	H	α-helix	trans	-69.7	-35.9	-169.8	-65	174.2	168.5	-149.8	0	112.1	E177 Y185 V189 L190 R228 M234 Y235	E177-K231 IonicContact OE1-NZ 3.84Å; E177-K231 PolarHBondContact OE1-NZ 3.19Å; E177-K231 VanDerWaalsContact OE1-NZ 3.11Å; Y185-K231 HydrophobicContact CE1-CB 4.46Å; Y185-K231 WeakPolarHBondContact OH-CA 3.38Å; V189-K231 HydrophobicContact CG1-CB 4.15Å; V189-K231 HydrophobicContact CG1-CD 3.53Å; V189-K231 HydrophobicContact CG1-CG 3.89Å; L190-K231 HydrophobicContact CD2-CB 3.89Å; R228-K231 WeakPolarHBondContact O-CE 3.47Å; K231-M234 PolarHBondContact O-N 3.5Å; K231-Y235 WeakPolarHBondContact O-CB 3.47Å; K231-Y235 PolarHBondContact O-N 3.38Å
232	E	89.9	Confident	90.4	Very high	121 Å²	121	57.6 Å²	57.6	57%	0.565	28%	0.275	S	S	*	.	H	α-helix	trans	-66.1	-46	177.9	-70.7	66.5	-151.3	0	0	111	Y235 R236	E232-Y235 PolarHBondContact O-N 3.21Å; E232-R236 WeakPolarHBondContact O-CB 3.44Å; E232-R236 PolarHBondContact O-N 2.72Å
233	I	91.6	Very high	90.3	Very high	20 Å²	20	57.6 Å²	57.6	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-68.8	-36.5	175.6	-61.1	-52.4	0	0	0	111	P223 N230 Y235 R236 I237 L257	P223-I233 HydrophobicContact CB-CB 3.86Å; P223-I233 HydrophobicContact CB-CG2 3.57Å; N230-I233 WeakPolarHBondContact ND2-CG1 3.46Å; N230-I233 PolarHBondContact O-N 3.35Å; N230-I233 WeakPolarHBondContact OD1-CB 3.38Å; N230-I233 WeakPolarHBondContact OD1-CG1 3.5Å; N230-I233 PolarHBondContact OD1-N 2.93Å; I233-Y235 VanDerWaalsContact C-N 3.34Å; I233-Y235 PolarHBondContact O-N 3.26Å; I233-R236 PolarHBondContact O-N 3.37Å; I233-I237 HydrophobicContact CG2-CD1 3.66Å; I233-I237 HydrophobicContact CG2-CG1 3.99Å; I233-I237 WeakPolarHBondContact O-CB 3.38Å; I233-I237 VanDerWaalsContact O-CG1 3.27Å; I233-I237 WeakPolarHBondContact O-CG1 3.48Å; I233-I237 PolarHBondContact O-N 2.9Å; I233-L257 HydrophobicContact CG2-CD2 4.2Å
234	M	92.3	Very high	90.4	Very high	5 Å²	5	59 Å²	59	3%	0.025	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-46.7	174	-177.1	60.9	-168.4	0	0	111.6	Y185 F221 P223 P227 N230 K231 I237 T238	Y185-M234 HydrophobicContact CE1-CB 4.48Å; Y185-M234 HydrophobicContact CE1-CG 4.45Å; Y185-M234 HydrophobicContact CE2-CG 3.94Å; F221-M234 HydrophobicContact CB-CE 3.92Å; F221-M234 HydrophobicContact CB-SD 4.12Å; P223-M234 HydrophobicContact CG-CB 4.24Å; P227-M234 HydrophobicContact CB-CG 4.32Å; P227-M234 HydrophobicContact CB-SD 3.95Å; N230-M234 WeakPolarHBondContact O-CB 3.39Å; N230-M234 PolarHBondContact O-N 3.4Å; K231-M234 PolarHBondContact O-N 3.5Å; M234-I237 PolarHBondContact O-N 3.43Å; M234-T238 HydrophobicContact CE-CG2 3.77Å; M234-T238 WeakPolarHBondContact O-CG2 3.32Å; M234-T238 PolarHBondContact O-N 3Å; M234-T238 VanDerWaalsContact O-N 3.08Å; M234-T238 PolarHBondContact O-OG1 3.49Å
235	Y	91.8	Very high	90.7	Very high	39 Å²	39	55.1 Å²	55.1	15%	0.153	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-44	174.9	179.9	-116.1	0	0	0	111.8	Y185 E186 L190 K231 E232 I233 T238 T239	Y185-Y235 HydrophobicContact CD1-CD2 4.25Å; E186-Y235 HydrophobicContact CB-CD2 4.2Å; E186-Y235 HydrophobicContact CB-CE2 3.55Å; E186-Y235 HydrophobicContact CG-CE2 4.23Å; E186-Y235 WeakPolarHBondContact OE1-CE1 3.15Å; E186-Y235 VanDerWaalsContact OE1-CZ 3.31Å; E186-Y235 PolarHBondContact OE1-OH 2.78Å; E186-Y235 PolarHBondContact OE2-OH 2.89Å; L190-Y235 HydrophobicContact CD1-CD1 3.65Å; L190-Y235 HydrophobicContact CD1-CD2 4.31Å; L190-Y235 HydrophobicContact CD1-CE1 4.33Å; L190-Y235 HydrophobicContact CD1-CG 3.62Å; K231-Y235 WeakPolarHBondContact O-CB 3.47Å; K231-Y235 PolarHBondContact O-N 3.38Å; E232-Y235 PolarHBondContact O-N 3.21Å; I233-Y235 VanDerWaalsContact C-N 3.34Å; I233-Y235 PolarHBondContact O-N 3.26Å; Y235-T238 PolarHBondContact O-N 2.91Å; Y235-T238 PolarHBondContact O-OG1 2.95Å; Y235-T239 HydrophobicContact CD2-CG2 3.91Å; Y235-T239 HydrophobicContact CE1-CG2 4.35Å; Y235-T239 HydrophobicContact CE2-CG2 3.39Å; Y235-T239 WeakPolarHBondContact O-CB 3.13Å; Y235-T239 WeakPolarHBondContact O-CG2 3.17Å; Y235-T239 PolarHBondContact O-N 3Å; Y235-T239 PolarHBondContact O-OG1 2.95Å
236	R	93.2	Very high	91.4	Very high	86 Å²	86	53 Å²	53	33%	0.325	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-46	177.6	-163.9	177.7	71.4	-164.1	3.2	112.6	E232 I233 T238 T239 E240	E232-R236 WeakPolarHBondContact O-CB 3.44Å; E232-R236 PolarHBondContact O-N 2.72Å; I233-R236 PolarHBondContact O-N 3.37Å; R236-T238 VanDerWaalsContact C-N 3.27Å; R236-T238 PolarHBondContact O-N 2.87Å; R236-T239 PolarHBondContact O-N 3.15Å; R236-T239 PolarHBondContact O-OG1 2.98Å; R236-E240 WeakPolarHBondContact CD-OE1 3.38Å; R236-E240 WeakPolarHBondContact CD-OE2 3.48Å; R236-E240 HydrophobicContact CG-CG 3.83Å; R236-E240 WeakPolarHBondContact CG-OE1 3.43Å; R236-E240 WeakPolarHBondContact CG-OE2 3.13Å; R236-E240 IonicContact NE-OE2 3.11Å; R236-E240 WeakPolarHBondContact O-CB 3.35Å; R236-E240 PolarHBondContact O-N 3.38Å
237	I	93.9	Very high	91.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.6	-37.2	177.8	-70.9	171.2	0	0	0	111.2	F221 P223 I233 M234 Q250 L257 W259	F221-I237 HydrophobicContact CB-CG2 3.8Å; F221-I237 HydrophobicContact CD1-CG2 3.59Å; F221-I237 HydrophobicContact CG-CG2 4.04Å; P223-I237 HydrophobicContact CB-CD1 4.1Å; I233-I237 HydrophobicContact CG2-CD1 3.66Å; I233-I237 HydrophobicContact CG2-CG1 3.99Å; I233-I237 WeakPolarHBondContact O-CB 3.38Å; I233-I237 VanDerWaalsContact O-CG1 3.27Å; I233-I237 WeakPolarHBondContact O-CG1 3.48Å; I233-I237 PolarHBondContact O-N 2.9Å; M234-I237 PolarHBondContact O-N 3.43Å; I237-Q250 HydrophobicContact CD1-CB 4.5Å; I237-L257 HydrophobicContact CB-CD1 4.38Å; I237-L257 HydrophobicContact CD1-CD2 3.7Å; I237-L257 HydrophobicContact CG1-CD1 3.59Å; I237-L257 HydrophobicContact CG1-CD2 3.36Å; I237-L257 HydrophobicContact CG1-CG 4.03Å; I237-W259 HydrophobicContact CB-CH2 4.47Å; I237-W259 HydrophobicContact CG2-CH2 4.12Å; I237-W259 HydrophobicContact CG2-CZ3 3.9Å; I237-W259 WeakPolarHBondContact O-CH2 3.32Å; I237-W259 VanDerWaalsContact O-CZ3 3.26Å; I237-W259 WeakPolarHBondContact O-CZ3 3.23Å
238	T	92.9	Very high	92.6	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-80.7	-21.6	-178.5	49.1	0	0	0	0	113.3	W205 F221 M234 Y235 R236 V287	W205-T238 HydrophobicContact CH2-CG2 4.46Å; W205-T238 HydrophobicContact CZ2-CG2 3.88Å; F221-T238 HydrophobicContact CB-CG2 4.11Å; F221-T238 HydrophobicContact CD2-CG2 3.74Å; F221-T238 HydrophobicContact CE2-CG2 4.34Å; F221-T238 HydrophobicContact CG-CG2 3.89Å; M234-T238 HydrophobicContact CE-CG2 3.77Å; M234-T238 WeakPolarHBondContact O-CG2 3.32Å; M234-T238 PolarHBondContact O-N 3Å; M234-T238 VanDerWaalsContact O-N 3.08Å; M234-T238 PolarHBondContact O-OG1 3.49Å; Y235-T238 PolarHBondContact O-N 2.91Å; Y235-T238 PolarHBondContact O-OG1 2.95Å; R236-T238 VanDerWaalsContact C-N 3.27Å; R236-T238 PolarHBondContact O-N 2.87Å; T238-V287 WeakPolarHBondContact O-CG2 3.46Å
239	T	91.4	Very high	93.2	Very high	43 Å²	43	45.6 Å²	45.6	26%	0.264	23%	0.233	S	C	.	.	H	α-helix	trans	-100.9	-37.5	-178	49.2	0	0	0	0	114.5	P182 Y235 R236 K241	P182-T239 HydrophobicContact CB-CG2 3.64Å; Y235-T239 HydrophobicContact CD2-CG2 3.91Å; Y235-T239 HydrophobicContact CE1-CG2 4.35Å; Y235-T239 HydrophobicContact CE2-CG2 3.39Å; Y235-T239 WeakPolarHBondContact O-CB 3.13Å; Y235-T239 WeakPolarHBondContact O-CG2 3.17Å; Y235-T239 PolarHBondContact O-N 3Å; Y235-T239 PolarHBondContact O-OG1 2.95Å; R236-T239 PolarHBondContact O-N 3.15Å; R236-T239 PolarHBondContact O-OG1 2.98Å; T239-K241 PolarHBondContact O-N 3.49Å
240	E	93.2	Very high	93.7	Very high	121 Å²	121	35.5 Å²	35.5	57%	0.565	20%	0.196	S	C	*	.	S	Bend	trans	-84.1	7.4	178	-63	-178.9	179	0	0	112.8	R236	R236-E240 WeakPolarHBondContact CD-OE1 3.38Å; R236-E240 WeakPolarHBondContact CD-OE2 3.48Å; R236-E240 HydrophobicContact CG-CG 3.83Å; R236-E240 WeakPolarHBondContact CG-OE1 3.43Å; R236-E240 WeakPolarHBondContact CG-OE2 3.13Å; R236-E240 IonicContact NE-OE2 3.11Å; R236-E240 WeakPolarHBondContact O-CB 3.35Å; R236-E240 PolarHBondContact O-N 3.38Å
241	K	94.7	Very high	93.8	Very high	12 Å²	12	41.6 Å²	41.6	5%	0.052	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-60.9	128.1	-178.6	-172.4	-174.7	70.7	68.7	0	110.7	F221 T239 A245 W259 L285	F221-K241 HydrophobicContact CE1-CD 3.56Å; F221-K241 HydrophobicContact CE1-CG 4.39Å; F221-K241 HydrophobicContact CZ-CD 3.62Å; T239-K241 PolarHBondContact O-N 3.49Å; K241-A245 HydrophobicContact CD-CB 4.39Å; K241-A245 WeakPolarHBondContact CD-O 3.5Å; K241-A245 HydrophobicContact CG-CB 3.91Å; K241-A245 PolarHBondContact NZ-O 3.24Å; K241-W259 VanDerWaalsContact CA-CH2 3.43Å; K241-W259 HydrophobicContact CB-CE3 4.44Å; K241-W259 HydrophobicContact CB-CH2 3.93Å; K241-W259 HydrophobicContact CB-CZ3 3.72Å; K241-W259 HydrophobicContact CG-CE3 3.96Å; K241-W259 HydrophobicContact CG-CH2 4.34Å; K241-W259 HydrophobicContact CG-CZ3 3.66Å; K241-L285 WeakPolarHBondContact CE-O 3.34Å; K241-L285 PolarHBondContact NZ-O 3.28Å
242	P	95.2	Very high	94	Very high	40 Å²	40	46.8 Å²	46.8	26%	0.26	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-68	153.7	174.6	27	-31.4	0	0	0	111.4	G244 A245 W259 Y261	P242-G244 PolarHBondContact O-N 3.28Å; P242-A245 HydrophobicContact CG-CB 3.82Å; P242-A245 PolarHBondContact O-N 2.96Å; P242-W259 VanDerWaalsContact CD-CD2 3.42Å; P242-W259 VanDerWaalsContact CD-CE2 3.49Å; P242-W259 HydrophobicContact CG-CB 4.21Å; P242-W259 HydrophobicContact CG-CD2 4.05Å; P242-W259 HydrophobicContact CG-CG 3.81Å; P242-Y261 VanDerWaalsContact CG-OH 3.28Å; P242-Y261 WeakPolarHBondContact CG-OH 3.39Å
243	A	93.2	Very high	94	Very high	67 Å²	67	47.8 Å²	47.8	55%	0.554	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	136.7	174.7	0	0	0	0	0	110.3	A245	A243-A245 VanDerWaalsContact C-N 3.26Å; A243-A245 PolarHBondContact O-N 2.99Å
244	G	95.2	Very high	93.9	Very high	31 Å²	31	53.9 Å²	53.9	32%	0.32	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-16.5	-179.1	0	0	0	0	0	115.9	P242 Y261	P242-G244 PolarHBondContact O-N 3.28Å; G244-Y261 VanDerWaalsContact C-CD1 3.46Å; G244-Y261 WeakPolarHBondContact O-CD1 3.2Å
245	A	97.3	Very high	93.9	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.			trans	-70.3	135.2	174.3	0	0	0	0	0	110.4	K241 P242 A243 W259 S260 Y261	K241-A245 HydrophobicContact CD-CB 4.39Å; K241-A245 WeakPolarHBondContact CD-O 3.5Å; K241-A245 HydrophobicContact CG-CB 3.91Å; K241-A245 PolarHBondContact NZ-O 3.24Å; P242-A245 HydrophobicContact CG-CB 3.82Å; P242-A245 PolarHBondContact O-N 2.96Å; A243-A245 VanDerWaalsContact C-N 3.26Å; A243-A245 PolarHBondContact O-N 2.99Å; A245-W259 HydrophobicContact CB-CB 4.23Å; A245-W259 HydrophobicContact CB-CE3 4.49Å; A245-S260 WeakPolarHBondContact CA-O 3.28Å; A245-Y261 HydrophobicContact CB-CD1 4.16Å; A245-Y261 HydrophobicContact CB-CE1 3.78Å
246	I	97.9	Very high	94	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.			trans	-107.3	-13.6	-178.2	64	172.2	0	0	0	112.7	Y212 P220 S260 L263 V278 L281 A282	Y212-I246 HydrophobicContact CD2-CD1 4.49Å; Y212-I246 HydrophobicContact CE2-CD1 4.17Å; Y212-I246 HydrophobicContact CE2-CG1 4.22Å; P220-I246 WeakPolarHBondContact CB-O 3.32Å; I246-S260 PolarHBondContact N-O 3.14Å; I246-L263 HydrophobicContact CD1-CD2 4.03Å; I246-L263 HydrophobicContact CD1-CG 4.24Å; I246-V278 HydrophobicContact CD1-CG1 4.38Å; I246-V278 HydrophobicContact CD1-CG2 4.09Å; I246-V278 HydrophobicContact CG2-CG1 4.48Å; I246-L281 HydrophobicContact CB-CB 4.36Å; I246-L281 HydrophobicContact CD1-CD1 4.49Å; I246-L281 HydrophobicContact CG2-CB 3.88Å; I246-A282 HydrophobicContact CG2-CB 3.88Å
247	A	97.9	Very high	94.1	Very high	8 Å²	8	53.5 Å²	53.5	7%	0.066	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.6	178	0	0	0	0	0	111.5	Y212 P220 W259 S260	Y212-A247 HydrophobicContact CE2-CB 3.81Å; Y212-A247 WeakPolarHBondContact OH-CB 3.44Å; P220-A247 HydrophobicContact CB-CB 4.36Å; P220-A247 CarbonylContact O-C 3.59Å; P220-A247 WeakPolarHBondContact O-CA 3.43Å; P220-A247 VanDerWaalsContact O-CB 3.27Å; P220-A247 WeakPolarHBondContact O-CB 3.28Å; A247-W259 WeakPolarHBondContact O-CA 3.18Å; A247-S260 PolarHBondContact N-O 2.88Å; A247-S260 PolarHBondContact O-N 2.99Å
248	G	96.9	Very high	94.3	Very high	2 Å²	2	57.3 Å²	57.3	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	127.3	179.5	0	0	0	0	0	111.5	P220 F221 I222 E258	P220-G248 PolarHBondContact O-N 3.06Å; F221-G248 CarbonylContact C-O 3.45Å; F221-G248 VanDerWaalsContact CA-O 3.28Å; F221-G248 WeakPolarHBondContact CA-O 3.47Å; I222-G248 PolarHBondContact N-O 3.25Å; G248-E258 CarbonylContact C-O 3.57Å; G248-E258 VanDerWaalsContact CA-O 3.28Å; G248-E258 WeakPolarHBondContact CA-O 3.13Å
249	A	95.9	Very high	94.5	Very high	34 Å²	34	60.7 Å²	60.7	28%	0.281	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	146.5	-178.6	0	0	0	0	0	112.8	I222 E258	I222-A249 HydrophobicContact CB-CB 4.47Å; I222-A249 CarbonylContact O-C 3.47Å; I222-A249 VanDerWaalsContact O-CA 3.31Å; I222-A249 WeakPolarHBondContact O-CA 3.03Å; A249-E258 PolarHBondContact N-O 3.44Å; A249-E258 PolarHBondContact O-N 3.48Å
250	Q	95.4	Very high	94.8	Very high	9 Å²	9	60.5 Å²	60.5	4%	0.042	32%	0.315	C	S	.	.			trans	-110.9	110.5	169.2	-171.6	-173.1	46.3	0	0	109.3	I222 F224 I237 R252 G255 L257	I222-Q250 PolarHBondContact O-N 3.05Å; F224-Q250 WeakPolarHBondContact CA-O 3.38Å; F224-Q250 HydrophobicContact CB-CB 4.38Å; F224-Q250 HydrophobicContact CB-CG 4.14Å; F224-Q250 PolarHBondContact N-O 3.33Å; I237-Q250 HydrophobicContact CD1-CB 4.5Å; Q250-R252 WeakPolarHBondContact CG-O 3.32Å; Q250-G255 PolarHBondContact NE2-O 3.42Å; Q250-L257 HydrophobicContact CB-CD2 3.94Å; Q250-L257 HydrophobicContact CG-CD2 4.37Å
251	R	90.8	Very high	95	Very high	170 Å²	170	60.3 Å²	60.3	64%	0.642	31%	0.31	S	S	*	.			trans	-77.1	-27.7	-173	-65.4	-166.3	-169.3	-128.5	-0.5	115.3	F224 E258	F224-R251 VanDerWaalsContact CD2-O 3.31Å; F224-R251 WeakPolarHBondContact CD2-O 3.43Å; R251-E258 VanDerWaalsContact CD-OE1 3.25Å; R251-E258 WeakPolarHBondContact CD-OE1 3.23Å; R251-E258 WeakPolarHBondContact CG-OE1 3.34Å; R251-E258 IonicContact CZ-OE2 3.07Å; R251-E258 VanDerWaalsContact CZ-OE2 3.27Å; R251-E258 VanDerWaalsContact NE-CD 3.26Å; R251-E258 IonicContact NE-OE1 2.65Å; R251-E258 PolarHBondContact NE-OE1 2.71Å; R251-E258 VanDerWaalsContact NE-OE1 3.09Å; R251-E258 IonicContact NE-OE2 3.4Å; R251-E258 PolarHBondContact NE-OE2 3.33Å; R251-E258 IonicContact NH2-OE2 3.57Å; R251-E258 PolarHBondContact NH2-OE2 2.8Å
252	R	92.4	Very high	95.2	Very high	173 Å²	173	64 Å²	64	65%	0.653	33%	0.334	S	S	*	.	S	Bend	trans	-138.9	154.4	-176.1	61.7	-177.3	173.5	-170.4	-1.9	110.3	F224 Q250 N254 G255	F224-R252 VanDerWaalsContact CD2-CA 3.43Å; Q250-R252 WeakPolarHBondContact CG-O 3.32Å; R252-N254 PolarHBondContact O-N 2.71Å; R252-G255 PolarHBondContact O-N 3.19Å
253	E	91.8	Very high	95.3	Very high	141 Å²	141	62.5 Å²	62.5	66%	0.659	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	131.7	176.2	-162.9	168.4	-162.5	0	0	110.6	F224 G255	F224-E253 HydrophobicContact CD1-CB 3.65Å; F224-E253 HydrophobicContact CD1-CG 4.17Å; F224-E253 HydrophobicContact CE1-CB 3.6Å; F224-E253 HydrophobicContact CE1-CG 4.28Å; F224-E253 HydrophobicContact CG-CB 4.43Å; F224-E253 HydrophobicContact CZ-CB 4.35Å; E253-G255 PolarHBondContact O-N 3.06Å
254	N	88.2	Confident	95.4	Very high	149 Å²	149	61.4 Å²	61.4	80%	0.797	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	15.9	-177.1	-56.1	-41	0	0	0	115.5	R252	R252-N254 PolarHBondContact O-N 2.71Å
255	G	92.1	Very high	95.4	Very high	8 Å²	8	64.8 Å²	64.8	8%	0.082	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-75.1	168.7	174.1	0	0	0	0	0	113.3	Q250 R252 E253	Q250-G255 PolarHBondContact NE2-O 3.42Å; R252-G255 PolarHBondContact O-N 3.19Å; E253-G255 PolarHBondContact O-N 3.06Å
256	P	94.9	Very high	95.3	Very high	86 Å²	86	66 Å²	66	56%	0.558	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-65.7	159.3	174.1	30.7	-35.6	0	0	0	111.3
257	L	95.4	Very high	95.2	Very high	27 Å²	27	66.6 Å²	66.6	14%	0.141	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-81.5	124.8	169.4	-57.8	-175.6	0	0	0	108.9	I233 I237 Q250 W259	I233-L257 HydrophobicContact CG2-CD2 4.2Å; I237-L257 HydrophobicContact CB-CD1 4.38Å; I237-L257 HydrophobicContact CD1-CD2 3.7Å; I237-L257 HydrophobicContact CG1-CD1 3.59Å; I237-L257 HydrophobicContact CG1-CD2 3.36Å; I237-L257 HydrophobicContact CG1-CG 4.03Å; Q250-L257 HydrophobicContact CB-CD2 3.94Å; Q250-L257 HydrophobicContact CG-CD2 4.37Å; L257-W259 HydrophobicContact CB-CZ2 3.89Å; L257-W259 HydrophobicContact CD1-CH2 4.02Å; L257-W259 HydrophobicContact CD1-CZ2 3.72Å; L257-W259 HydrophobicContact CG-CZ2 4.47Å
258	E	96.8	Very high	95.1	Very high	81 Å²	81	68.7 Å²	68.7	38%	0.379	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.3	175.3	-67	177.8	-152.7	0	0	109.4	G248 A249 R251	G248-E258 CarbonylContact C-O 3.57Å; G248-E258 VanDerWaalsContact CA-O 3.28Å; G248-E258 WeakPolarHBondContact CA-O 3.13Å; A249-E258 PolarHBondContact N-O 3.44Å; A249-E258 PolarHBondContact O-N 3.48Å; R251-E258 VanDerWaalsContact CD-OE1 3.25Å; R251-E258 WeakPolarHBondContact CD-OE1 3.23Å; R251-E258 WeakPolarHBondContact CG-OE1 3.34Å; R251-E258 IonicContact CZ-OE2 3.07Å; R251-E258 VanDerWaalsContact CZ-OE2 3.27Å; R251-E258 VanDerWaalsContact NE-CD 3.26Å; R251-E258 IonicContact NE-OE1 2.65Å; R251-E258 PolarHBondContact NE-OE1 2.71Å; R251-E258 VanDerWaalsContact NE-OE1 3.09Å; R251-E258 IonicContact NE-OE2 3.4Å; R251-E258 PolarHBondContact NE-OE2 3.33Å; R251-E258 IonicContact NH2-OE2 3.57Å; R251-E258 PolarHBondContact NH2-OE2 2.8Å
259	W	97.7	Very high	95.1	Very high	72 Å²	72	68.8 Å²	68.8	27%	0.273	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.5	-178.4	-54.2	108.2	0	0	0	111.4	I237 K241 P242 A245 A247 L257 Y261	I237-W259 HydrophobicContact CB-CH2 4.47Å; I237-W259 HydrophobicContact CG2-CH2 4.12Å; I237-W259 HydrophobicContact CG2-CZ3 3.9Å; I237-W259 WeakPolarHBondContact O-CH2 3.32Å; I237-W259 VanDerWaalsContact O-CZ3 3.26Å; I237-W259 WeakPolarHBondContact O-CZ3 3.23Å; K241-W259 VanDerWaalsContact CA-CH2 3.43Å; K241-W259 HydrophobicContact CB-CE3 4.44Å; K241-W259 HydrophobicContact CB-CH2 3.93Å; K241-W259 HydrophobicContact CB-CZ3 3.72Å; K241-W259 HydrophobicContact CG-CE3 3.96Å; K241-W259 HydrophobicContact CG-CH2 4.34Å; K241-W259 HydrophobicContact CG-CZ3 3.66Å; P242-W259 VanDerWaalsContact CD-CD2 3.42Å; P242-W259 VanDerWaalsContact CD-CE2 3.49Å; P242-W259 HydrophobicContact CG-CB 4.21Å; P242-W259 HydrophobicContact CG-CD2 4.05Å; P242-W259 HydrophobicContact CG-CG 3.81Å; A245-W259 HydrophobicContact CB-CB 4.23Å; A245-W259 HydrophobicContact CB-CE3 4.49Å; A247-W259 WeakPolarHBondContact O-CA 3.18Å; L257-W259 HydrophobicContact CB-CZ2 3.89Å; L257-W259 HydrophobicContact CD1-CH2 4.02Å; L257-W259 HydrophobicContact CD1-CZ2 3.72Å; L257-W259 HydrophobicContact CG-CZ2 4.47Å; W259-Y261 HydrophobicContact CB-CE2 4.4Å
260	S	97.5	Very high	95.2	Very high	40 Å²	40	68 Å²	68	28%	0.28	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.2	172.4	-165.8	0	0	0	0	111.5	A245 I246 A247 T262	A245-S260 WeakPolarHBondContact CA-O 3.28Å; I246-S260 PolarHBondContact N-O 3.14Å; A247-S260 PolarHBondContact N-O 2.88Å; A247-S260 PolarHBondContact O-N 2.99Å; S260-T262 PolarHBondContact OG-N 3.11Å; S260-T262 PolarHBondContact OG-O 3.38Å
261	Y	98	Very high	95.2	Very high	117 Å²	117	72.4 Å²	72.4	46%	0.459	36%	0.357	S	S	.	.	S	Bend	trans	-111.8	-1.8	177.1	-57.9	-91.7	0	0	0	111.9	P242 G244 A245 W259 V278	P242-Y261 VanDerWaalsContact CG-OH 3.28Å; P242-Y261 WeakPolarHBondContact CG-OH 3.39Å; G244-Y261 VanDerWaalsContact C-CD1 3.46Å; G244-Y261 WeakPolarHBondContact O-CD1 3.2Å; A245-Y261 HydrophobicContact CB-CD1 4.16Å; A245-Y261 HydrophobicContact CB-CE1 3.78Å; W259-Y261 HydrophobicContact CB-CE2 4.4Å; Y261-V278 VanDerWaalsContact O-CG1 3.29Å; Y261-V278 WeakPolarHBondContact O-CG1 3.16Å
262	T	97.8	Very high	95.4	Very high	90 Å²	90	64.4 Å²	64.4	55%	0.552	33%	0.326	S	S	*	.	S	Bend	trans	-132.3	159	179.2	58	0	0	0	0	109.9	S260	S260-T262 PolarHBondContact OG-N 3.11Å; S260-T262 PolarHBondContact OG-O 3.38Å
263	L	97.9	Very high	95.7	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.037	30%	0.296	C	S	.	.			trans	-69.8	148.3	171.2	-66.6	169.8	0	0	0	109.5	Y212 T216 I246 C267 L269 Q274 L277 V278 L281	Y212-L263 HydrophobicContact CD2-CD2 3.94Å; Y212-L263 HydrophobicContact CE2-CD2 3.78Å; T216-L263 HydrophobicContact CG2-CD2 3.67Å; I246-L263 HydrophobicContact CD1-CD2 4.03Å; I246-L263 HydrophobicContact CD1-CG 4.24Å; L263-C267 HydrophobicContact CB-CB 4.2Å; L263-L269 HydrophobicContact CD1-CD1 4.41Å; L263-Q274 HydrophobicContact CD1-CB 4.27Å; L263-Q274 HydrophobicContact CD1-CG 3.83Å; L263-L277 HydrophobicContact CD1-CD2 4.22Å; L263-V278 HydrophobicContact CD1-CG2 4.27Å; L263-V278 HydrophobicContact CG-CG2 4.07Å; L263-L281 HydrophobicContact CD2-CD1 4.26Å
264	P	95.9	Very high	96	Very high	44 Å²	44	51 Å²	51	29%	0.286	27%	0.272	S	S	.	.			trans	-63.8	150.2	-178.5	27.2	-35.2	0	0	0	111	T216 T266 C267	T216-P264 HydrophobicContact CG2-CG 3.92Å; P264-T266 PolarHBondContact O-N 2.92Å; P264-C267 HydrophobicContact CG-CB 4.43Å; P264-C267 WeakPolarHBondContact O-CB 3.25Å; P264-C267 PolarHBondContact O-N 3.36Å
265	I	94.9	Very high	96.4	Very high	102 Å²	102	46.9 Å²	46.9	52%	0.523	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.4	177.5	-164.8	169.2	0	0	0	113.8	C267 A391 R393	I265-C267 VanDerWaalsContact C-N 3.31Å; I265-A391 HydrophobicContact CD1-CB 4.38Å; I265-R393 HydrophobicContact CG2-CB 3.74Å
266	T	94.8	Very high	96.7	Very high	25 Å²	25	48.8 Å²	48.8	15%	0.153	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.7	175.1	55.7	0	0	0	0	113.3	F105 P264 R393	F105-T266 WeakPolarHBondContact CB-O 3.33Å; F105-T266 HydrophobicContact CD1-CG2 4.13Å; F105-T266 HydrophobicContact CE1-CG2 4.24Å; P264-T266 PolarHBondContact O-N 2.92Å; T266-R393 HydrophobicContact CG2-CB 4.34Å
267	C	96.1	Very high	96.8	Very high	14 Å²	14	44.8 Å²	44.8	10%	0.095	24%	0.235	C	C	.	.			trans	-60.3	137.3	178.1	-178.8	0	0	0	0	110.7	A215 L263 P264 I265	A215-C267 PolarHBondContact O-SG 2.87Å; L263-C267 HydrophobicContact CB-CB 4.2Å; P264-C267 HydrophobicContact CG-CB 4.43Å; P264-C267 WeakPolarHBondContact O-CB 3.25Å; P264-C267 PolarHBondContact O-N 3.36Å; I265-C267 VanDerWaalsContact C-N 3.31Å
268	Q	95.6	Very high	97	Very high	51 Å²	51	44.8 Å²	44.8	24%	0.238	24%	0.236	C	C	.	.			trans	-82.7	-14.1	-177.8	-55.7	-166.1	49.6	0	0	113.6	G106 R427	G106-Q268 PolarHBondContact O-NE2 2.95Å; Q268-R427 VanDerWaalsContact NE2-CZ 3.33Å
269	L	98	Very high	97	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	24%	0.236	C	C	.	.	S	Bend	trans	-69.7	138.7	-179	-52.6	-173.9	0	0	0	110	E109 F112 A215 L263 L273 Q274 L277	E109-L269 HydrophobicContact CB-CD2 4.13Å; E109-L269 HydrophobicContact CG-CD2 4.5Å; F112-L269 HydrophobicContact CB-CD2 3.84Å; F112-L269 HydrophobicContact CD1-CD1 4.1Å; F112-L269 HydrophobicContact CD1-CD2 4.16Å; F112-L269 HydrophobicContact CD2-CD1 4.41Å; F112-L269 HydrophobicContact CE1-CD1 4.14Å; F112-L269 HydrophobicContact CE2-CD1 4.45Å; F112-L269 HydrophobicContact CG-CD1 4.24Å; F112-L269 HydrophobicContact CG-CD2 3.9Å; F112-L269 HydrophobicContact CZ-CD1 4.33Å; A215-L269 HydrophobicContact CB-CD1 3.74Å; A215-L269 HydrophobicContact CB-CG 4.49Å; L263-L269 HydrophobicContact CD1-CD1 4.41Å; L269-L273 HydrophobicContact CB-CD2 4.43Å; L269-L273 HydrophobicContact CD1-CD2 4.16Å; L269-L273 HydrophobicContact CD1-CG 4.48Å; L269-L273 HydrophobicContact CD2-CD2 4.07Å; L269-L273 HydrophobicContact CG-CD2 4.44Å; L269-Q274 HydrophobicContact CB-CG 3.96Å; L269-Q274 PolarHBondContact O-NE2 3.15Å; L269-L277 HydrophobicContact CD1-CD2 3.71Å
270	S	96.9	Very high	97.1	Very high	18 Å²	18	40.3 Å²	40.3	13%	0.126	22%	0.223	C	C	.	.			trans	-61.1	150.8	173.6	64.9	0	0	0	0	111.3	E109 G272 L273 Q274 H323	E109-S270 PolarHBondContact OE1-OG 3Å; E109-S270 WeakPolarHBondContact OE2-CA 3.5Å; E109-S270 WeakPolarHBondContact OE2-CB 3.47Å; E109-S270 PolarHBondContact OE2-N 3.43Å; E109-S270 PolarHBondContact OE2-OG 3.46Å; S270-G272 PolarHBondContact O-N 2.85Å; S270-G272 VanDerWaalsContact O-N 3.11Å; S270-L273 PolarHBondContact O-N 2.85Å; S270-L273 PolarHBondContact OG-N 3.43Å; S270-Q274 VanDerWaalsContact O-CG 3.31Å; S270-Q274 WeakPolarHBondContact O-CG 3.46Å; S270-Q274 PolarHBondContact O-N 2.89Å; S270-H323 WeakPolarHBondContact CB-ND1 3.35Å; S270-H323 WeakPolarHBondContact OG-CB 3.48Å; S270-H323 PolarHBondContact OG-ND1 2.77Å
271	L	94.9	Very high	97.1	Very high	101 Å²	101	38.4 Å²	38.4	53%	0.529	21%	0.21	S	C	.	.	H	α-helix	trans	-54.9	-33.2	176.1	-174	64.4	0	0	0	112.1	Q274 S275	L271-Q274 PolarHBondContact O-N 2.86Å; L271-S275 WeakPolarHBondContact O-CB 3.1Å; L271-S275 PolarHBondContact O-N 2.89Å
272	G	96.6	Very high	97.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-55.5	-56.7	172.6	0	0	0	0	0	112.1	S270 S275 H323	S270-G272 PolarHBondContact O-N 2.85Å; S270-G272 VanDerWaalsContact O-N 3.11Å; G272-S275 PolarHBondContact O-N 2.85Å; G272-S275 PolarHBondContact O-OG 2.77Å; G272-H323 WeakPolarHBondContact CA-O 3.25Å
273	L	98.1	Very high	97	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-39.2	179.2	-176.2	57.2	0	0	0	112.4	E109 F112 L113 L269 S270 S275 Q276 L277 I305 Y325	E109-L273 HydrophobicContact CG-CD2 3.71Å; F112-L273 HydrophobicContact CD1-CD2 3.97Å; F112-L273 HydrophobicContact CE1-CD2 4.38Å; L113-L273 HydrophobicContact CD2-CD1 4.02Å; L113-L273 HydrophobicContact CD2-CD2 4.09Å; L113-L273 HydrophobicContact CG-CD2 4.26Å; L269-L273 HydrophobicContact CB-CD2 4.43Å; L269-L273 HydrophobicContact CD1-CD2 4.16Å; L269-L273 HydrophobicContact CD1-CG 4.48Å; L269-L273 HydrophobicContact CD2-CD2 4.07Å; L269-L273 HydrophobicContact CG-CD2 4.44Å; S270-L273 PolarHBondContact O-N 2.85Å; S270-L273 PolarHBondContact OG-N 3.43Å; L273-S275 PolarHBondContact O-N 3.1Å; L273-Q276 PolarHBondContact O-N 2.9Å; L273-L277 WeakPolarHBondContact O-CB 3.31Å; L273-L277 PolarHBondContact O-N 3.05Å; L273-I305 HydrophobicContact CD1-CG2 3.78Å; L273-Y325 HydrophobicContact CB-CE2 3.84Å; L273-Y325 HydrophobicContact CD1-CE1 4.05Å
274	Q	98.1	Very high	97	Very high	33 Å²	33	31.2 Å²	31.2	15%	0.154	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-40.9	176.4	-65.3	-173.3	30.3	0	0	111.4	L263 L269 S270 L271 Q276 L277 V278	L263-Q274 HydrophobicContact CD1-CB 4.27Å; L263-Q274 HydrophobicContact CD1-CG 3.83Å; L269-Q274 HydrophobicContact CB-CG 3.96Å; L269-Q274 PolarHBondContact O-NE2 3.15Å; S270-Q274 VanDerWaalsContact O-CG 3.31Å; S270-Q274 WeakPolarHBondContact O-CG 3.46Å; S270-Q274 PolarHBondContact O-N 2.89Å; L271-Q274 PolarHBondContact O-N 2.86Å; Q274-Q276 PolarHBondContact O-N 3.22Å; Q274-L277 PolarHBondContact O-N 3.46Å; Q274-V278 WeakPolarHBondContact O-CB 3.4Å; Q274-V278 VanDerWaalsContact O-CG2 3.27Å; Q274-V278 WeakPolarHBondContact O-CG2 3.19Å; Q274-V278 PolarHBondContact O-N 3.18Å
275	S	96.4	Very high	96.9	Very high	61 Å²	61	29.1 Å²	29.1	43%	0.427	16%	0.164	S	C	.	.	H	α-helix	trans	-62.7	-25.8	178.9	77	0	0	0	0	113.8	L271 G272 L273 P279	L271-S275 WeakPolarHBondContact O-CB 3.1Å; L271-S275 PolarHBondContact O-N 2.89Å; G272-S275 PolarHBondContact O-N 2.85Å; G272-S275 PolarHBondContact O-OG 2.77Å; L273-S275 PolarHBondContact O-N 3.1Å; S275-P279 WeakPolarHBondContact O-CD 3.46Å
276	Q	97.4	Very high	96.8	Very high	49 Å²	49	25.2 Å²	25.2	23%	0.229	14%	0.143	C	C	.	.	H	α-helix	trans	-89.9	-38.7	177	-50.9	-58.5	-73.5	0	0	111.6	L273 Q274 P279 I305	L273-Q276 PolarHBondContact O-N 2.9Å; Q274-Q276 PolarHBondContact O-N 3.22Å; Q276-P279 WeakPolarHBondContact O-CD 3.29Å; Q276-I305 HydrophobicContact CB-CD1 3.56Å; Q276-I305 HydrophobicContact CB-CG1 3.72Å; Q276-I305 HydrophobicContact CG-CG1 4.45Å
277	L	98.4	Very high	96.3	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-75.8	-38.6	-175.3	180	63.8	0	0	0	113.4	F112 A215 L263 L269 L273 Q274 I280 L281	F112-L277 HydrophobicContact CE1-CD1 4.31Å; F112-L277 HydrophobicContact CE1-CD2 3.76Å; F112-L277 HydrophobicContact CE2-CD2 4.24Å; F112-L277 HydrophobicContact CZ-CD1 3.97Å; F112-L277 HydrophobicContact CZ-CD2 3.38Å; F112-L277 HydrophobicContact CZ-CG 4.33Å; A215-L277 HydrophobicContact CB-CD2 4.24Å; L263-L277 HydrophobicContact CD1-CD2 4.22Å; L269-L277 HydrophobicContact CD1-CD2 3.71Å; L273-L277 WeakPolarHBondContact O-CB 3.31Å; L273-L277 PolarHBondContact O-N 3.05Å; Q274-L277 PolarHBondContact O-N 3.46Å; L277-I280 WeakPolarHBondContact O-CB 3.42Å; L277-I280 PolarHBondContact O-N 2.51Å; L277-I280 VanDerWaalsContact O-N 3.12Å; L277-L281 HydrophobicContact CD1-CD1 4.47Å; L277-L281 HydrophobicContact CD1-CG 4.18Å; L277-L281 HydrophobicContact CD2-CD1 4.25Å; L277-L281 HydrophobicContact CG-CD1 3.91Å; L277-L281 HydrophobicContact CG-CG 4.09Å; L277-L281 PolarHBondContact O-N 3.48Å
278	V	98.4	Very high	95.8	Very high	27 Å²	27	29.5 Å²	29.5	16%	0.164	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-45.6	-176.2	166	0	0	0	0	112.5	I246 Y261 L263 Q274 I280 L281 A282	I246-V278 HydrophobicContact CD1-CG1 4.38Å; I246-V278 HydrophobicContact CD1-CG2 4.09Å; I246-V278 HydrophobicContact CG2-CG1 4.48Å; Y261-V278 VanDerWaalsContact O-CG1 3.29Å; Y261-V278 WeakPolarHBondContact O-CG1 3.16Å; L263-V278 HydrophobicContact CD1-CG2 4.27Å; L263-V278 HydrophobicContact CG-CG2 4.07Å; Q274-V278 WeakPolarHBondContact O-CB 3.4Å; Q274-V278 VanDerWaalsContact O-CG2 3.27Å; Q274-V278 WeakPolarHBondContact O-CG2 3.19Å; Q274-V278 PolarHBondContact O-N 3.18Å; V278-I280 VanDerWaalsContact C-N 3.31Å; V278-I280 PolarHBondContact O-N 2.92Å; V278-L281 PolarHBondContact O-N 3.31Å; V278-A282 WeakPolarHBondContact O-CB 3.28Å; V278-A282 PolarHBondContact O-N 2.89Å
279	P	98.1	Very high	95	Very high	59 Å²	59	31.5 Å²	31.5	38%	0.383	17%	0.172	S	C	.	.	H	α-helix	trans	-56.2	-42.5	173	-27.4	35.3	0	0	0	113.3	S275 Q276 A282 N283	S275-P279 WeakPolarHBondContact O-CD 3.46Å; Q276-P279 WeakPolarHBondContact O-CD 3.29Å; P279-A282 PolarHBondContact O-N 3.49Å; P279-N283 PolarHBondContact O-N 3.44Å; P279-N283 PolarHBondContact O-ND2 2.81Å
280	I	98.3	Very high	94.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-51.6	177.9	-58	-174.5	0	0	0	110	L277 V278 A282 N283 I284 W293 F298 E301 T302 I305	L277-I280 WeakPolarHBondContact O-CB 3.42Å; L277-I280 PolarHBondContact O-N 2.51Å; L277-I280 VanDerWaalsContact O-N 3.12Å; V278-I280 VanDerWaalsContact C-N 3.31Å; V278-I280 PolarHBondContact O-N 2.92Å; I280-A282 VanDerWaalsContact C-N 3.31Å; I280-A282 PolarHBondContact O-N 3.38Å; I280-N283 PolarHBondContact O-N 2.77Å; I280-I284 HydrophobicContact CG2-CD1 4.08Å; I280-I284 WeakPolarHBondContact O-CG1 3.47Å; I280-I284 PolarHBondContact O-N 3.28Å; I280-W293 HydrophobicContact CB-CZ3 4.14Å; I280-W293 HydrophobicContact CG1-CH2 4.11Å; I280-W293 HydrophobicContact CG1-CZ3 3.86Å; I280-W293 HydrophobicContact CG2-CZ3 4.17Å; I280-F298 HydrophobicContact CG2-CD2 3.94Å; I280-F298 HydrophobicContact CG2-CE2 4.01Å; I280-E301 HydrophobicContact CD1-CB 4.06Å; I280-E301 HydrophobicContact CG1-CB 4.26Å; I280-T302 HydrophobicContact CD1-CG2 3.82Å; I280-T302 HydrophobicContact CG2-CG2 4.34Å; I280-I305 HydrophobicContact CD1-CD1 3.43Å; I280-I305 VanDerWaalsContact CD1-CD1 3.43Å; I280-I305 HydrophobicContact CD1-CG1 4.45Å
281	L	98.4	Very high	94	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.2	-44.2	178.8	-69	175.6	0	0	0	112	G208 L211 Y212 I246 L263 L277 V278 N283 L285	G208-L281 WeakPolarHBondContact O-CD2 3.36Å; L211-L281 HydrophobicContact CB-CD2 3.99Å; Y212-L281 HydrophobicContact CD2-CD1 4.25Å; I246-L281 HydrophobicContact CB-CB 4.36Å; I246-L281 HydrophobicContact CD1-CD1 4.49Å; I246-L281 HydrophobicContact CG2-CB 3.88Å; L263-L281 HydrophobicContact CD2-CD1 4.26Å; L277-L281 HydrophobicContact CD1-CD1 4.47Å; L277-L281 HydrophobicContact CD1-CG 4.18Å; L277-L281 HydrophobicContact CD2-CD1 4.25Å; L277-L281 HydrophobicContact CG-CD1 3.91Å; L277-L281 HydrophobicContact CG-CG 4.09Å; L277-L281 PolarHBondContact O-N 3.48Å; V278-L281 PolarHBondContact O-N 3.31Å; L281-N283 VanDerWaalsContact C-N 3.27Å; L281-N283 PolarHBondContact O-N 3.35Å; L281-L285 WeakPolarHBondContact O-CB 3.15Å; L281-L285 VanDerWaalsContact O-CG 3.32Å; L281-L285 WeakPolarHBondContact O-CG 3.27Å; L281-L285 PolarHBondContact O-N 3.06Å
282	A	97.6	Very high	93.7	Very high	12 Å²	12	37 Å²	37	10%	0.099	21%	0.21	C	C	.	.	H	α-helix	trans	-60.2	-36.4	-179.5	0	0	0	0	0	113.1	I246 V278 P279 I280	I246-A282 HydrophobicContact CG2-CB 3.88Å; V278-A282 WeakPolarHBondContact O-CB 3.28Å; V278-A282 PolarHBondContact O-N 2.89Å; P279-A282 PolarHBondContact O-N 3.49Å; I280-A282 VanDerWaalsContact C-N 3.31Å; I280-A282 PolarHBondContact O-N 3.38Å
283	N	97.1	Very high	93.6	Very high	50 Å²	50	38.2 Å²	38.2	27%	0.267	21%	0.214	S	C	.	.	H	α-helix	trans	-90.2	-26.7	-175.7	-73.3	-77.9	0	0	0	114.2	P279 I280 L281 E286 W293	P279-N283 PolarHBondContact O-N 3.44Å; P279-N283 PolarHBondContact O-ND2 2.81Å; I280-N283 PolarHBondContact O-N 2.77Å; L281-N283 VanDerWaalsContact C-N 3.27Å; L281-N283 PolarHBondContact O-N 3.35Å; N283-E286 WeakPolarHBondContact O-CB 3.49Å; N283-W293 HydrophobicContact CB-CB 4.4Å; N283-W293 VanDerWaalsContact CB-CD1 3.47Å; N283-W293 HydrophobicContact CB-CD2 3.42Å; N283-W293 VanDerWaalsContact CB-CD2 3.42Å; N283-W293 HydrophobicContact CB-CE3 4.12Å; N283-W293 HydrophobicContact CB-CG 3.53Å; N283-W293 HydrophobicContact CB-CZ2 3.95Å; N283-W293 VanDerWaalsContact CB-NE1 3.32Å; N283-W293 WeakPolarHBondContact ND2-CZ2 3.47Å; N283-W293 PolarHBondContact O-N 2.97Å; N283-W293 PolarHBondContact OD1-NE1 2.95Å
284	I	95.9	Very high	93.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-90	-20.9	175.1	70.3	-175.2	0	0	0	112.9	L204 I207 I280 E286 W293 F298	L204-I284 HydrophobicContact CB-CB 4.23Å; L204-I284 HydrophobicContact CB-CG2 4.46Å; I207-I284 HydrophobicContact CG2-CD1 4.22Å; I280-I284 HydrophobicContact CG2-CD1 4.08Å; I280-I284 WeakPolarHBondContact O-CG1 3.47Å; I280-I284 PolarHBondContact O-N 3.28Å; I284-E286 PolarHBondContact O-N 2.81Å; I284-W293 HydrophobicContact CG2-CB 4.36Å; I284-W293 HydrophobicContact CG2-CE3 4.32Å; I284-F298 HydrophobicContact CD1-CD2 4.25Å; I284-F298 HydrophobicContact CD1-CE2 3.95Å; I284-F298 HydrophobicContact CG2-CD2 3.86Å
285	L	95.6	Very high	93.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	S	Bend	trans	-89.8	37	165.5	-60.7	174.5	0	0	0	110.5	W205 V209 F221 K241 L281	W205-L285 HydrophobicContact CD2-CD2 4.04Å; W205-L285 HydrophobicContact CE3-CB 4.49Å; W205-L285 HydrophobicContact CE3-CD2 4.19Å; W205-L285 HydrophobicContact CG-CD2 4.42Å; W205-L285 HydrophobicContact CZ3-CB 4.34Å; V209-L285 HydrophobicContact CG2-CD2 3.83Å; F221-L285 HydrophobicContact CE2-CD2 4.46Å; F221-L285 HydrophobicContact CZ-CD1 4.48Å; K241-L285 WeakPolarHBondContact CE-O 3.34Å; K241-L285 PolarHBondContact NZ-O 3.28Å; L281-L285 WeakPolarHBondContact O-CB 3.15Å; L281-L285 VanDerWaalsContact O-CG 3.32Å; L281-L285 WeakPolarHBondContact O-CG 3.27Å; L281-L285 PolarHBondContact O-N 3.06Å
286	E	92	Very high	93	Very high	19 Å²	19	42.1 Å²	42.1	9%	0.089	24%	0.239	C	C	.	.			trans	-97.1	134	175	-174.8	48.6	-102.2	0	0	110.1	N283 I284 E288 K291 C292	N283-E286 WeakPolarHBondContact O-CB 3.49Å; I284-E286 PolarHBondContact O-N 2.81Å; E286-E288 PolarHBondContact OE1-N 3.46Å; E286-E288 VanDerWaalsContact OE1-N 3.08Å; E286-K291 HydrophobicContact CG-CB 3.78Å; E286-C292 HydrophobicContact CB-CB 4.08Å; E286-C292 HydrophobicContact CG-CB 4.44Å
287	V	85.1	Confident	93	Very high	28 Å²	28	43.9 Å²	43.9	17%	0.17	25%	0.247	C	C	.	.	S	Bend	trans	-85.6	-35.9	-176.7	-173.8	0	0	0	0	110	P182 W205 T238 Q289	P182-V287 HydrophobicContact CG-CG1 3.93Å; P182-V287 HydrophobicContact CG-CG2 4.28Å; W205-V287 HydrophobicContact CH2-CG2 4.26Å; W205-V287 HydrophobicContact CZ3-CG2 4.01Å; T238-V287 WeakPolarHBondContact O-CG2 3.46Å; V287-Q289 PolarHBondContact O-N 3.42Å
288	E	84.3	Confident	92.9	Very high	101 Å²	101	43.9 Å²	43.9	47%	0.472	25%	0.247	S	C	.	.	S	Bend	trans	-78.4	106.5	179.7	-165.4	171.2	-162.3	0	0	110	E286 A290 K291 C292	E286-E288 PolarHBondContact OE1-N 3.46Å; E286-E288 VanDerWaalsContact OE1-N 3.08Å; E288-A290 PolarHBondContact O-N 3.43Å; E288-K291 HydrophobicContact CB-CD 4.45Å; E288-K291 PolarHBondContact O-N 2.97Å; E288-K291 VanDerWaalsContact OE2-CD 3.25Å; E288-K291 WeakPolarHBondContact OE2-CD 3.43Å; E288-K291 WeakPolarHBondContact OE2-CE 3.28Å; E288-K291 IonicContact OE2-NZ 3.45Å; E288-K291 PolarHBondContact OE2-NZ 3.2Å; E288-C292 PolarHBondContact O-N 3.33Å; E288-C292 VanDerWaalsContact O-N 3.12Å
289	Q	79.6	Confident	92.9	Very high	94 Å²	94	43.5 Å²	43.5	44%	0.439	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-33.6	-175.1	-70.7	-178.1	-5.5	0	0	113.9	V287 K291 C292	V287-Q289 PolarHBondContact O-N 3.42Å; Q289-K291 VanDerWaalsContact C-N 3.26Å; Q289-K291 PolarHBondContact O-N 2.91Å; Q289-C292 PolarHBondContact O-N 3.21Å
290	A	85.1	Confident	92.8	Very high	97 Å²	97	43.6 Å²	43.6	80%	0.802	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-18.7	179.1	0	0	0	0	0	114.2	E288	E288-A290 PolarHBondContact O-N 3.43Å
291	K	87.9	Confident	92.8	Very high	119 Å²	119	47.3 Å²	47.3	52%	0.517	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-14.9	179	-65.8	178.8	-177.6	155.3	0	112.8	E286 E288 Q289	E286-K291 HydrophobicContact CG-CB 3.78Å; E288-K291 HydrophobicContact CB-CD 4.45Å; E288-K291 PolarHBondContact O-N 2.97Å; E288-K291 VanDerWaalsContact OE2-CD 3.25Å; E288-K291 WeakPolarHBondContact OE2-CD 3.43Å; E288-K291 WeakPolarHBondContact OE2-CE 3.28Å; E288-K291 IonicContact OE2-NZ 3.45Å; E288-K291 PolarHBondContact OE2-NZ 3.2Å; Q289-K291 VanDerWaalsContact C-N 3.26Å; Q289-K291 PolarHBondContact O-N 2.91Å
292	C	90	Very high	92.8	Very high	24 Å²	24	47.3 Å²	47.3	16%	0.162	27%	0.266	C	S	.	.	S	Bend	trans	-68.7	140.9	178	-171.1	0	0	0	0	110.5	E286 E288 Q289	E286-C292 HydrophobicContact CB-CB 4.08Å; E286-C292 HydrophobicContact CG-CB 4.44Å; E288-C292 PolarHBondContact O-N 3.33Å; E288-C292 VanDerWaalsContact O-N 3.12Å; Q289-C292 PolarHBondContact O-N 3.21Å
293	W	94	Very high	92.8	Very high	25 Å²	25	48.9 Å²	48.9	10%	0.095	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-65.2	145.5	172.9	-76.5	1.7	0	0	0	111.7	L204 I280 N283 I284 Q297 E301	L204-W293 WeakPolarHBondContact CD1-O 3.48Å; I280-W293 HydrophobicContact CB-CZ3 4.14Å; I280-W293 HydrophobicContact CG1-CH2 4.11Å; I280-W293 HydrophobicContact CG1-CZ3 3.86Å; I280-W293 HydrophobicContact CG2-CZ3 4.17Å; N283-W293 HydrophobicContact CB-CB 4.4Å; N283-W293 VanDerWaalsContact CB-CD1 3.47Å; N283-W293 HydrophobicContact CB-CD2 3.42Å; N283-W293 VanDerWaalsContact CB-CD2 3.42Å; N283-W293 HydrophobicContact CB-CE3 4.12Å; N283-W293 HydrophobicContact CB-CG 3.53Å; N283-W293 HydrophobicContact CB-CZ2 3.95Å; N283-W293 VanDerWaalsContact CB-NE1 3.32Å; N283-W293 WeakPolarHBondContact ND2-CZ2 3.47Å; N283-W293 PolarHBondContact O-N 2.97Å; N283-W293 PolarHBondContact OD1-NE1 2.95Å; I284-W293 HydrophobicContact CG2-CB 4.36Å; I284-W293 HydrophobicContact CG2-CE3 4.32Å; W293-Q297 HydrophobicContact CB-CB 4.46Å; W293-Q297 VanDerWaalsContact CD1-CD 3.49Å; W293-Q297 HydrophobicContact CD2-CB 4.44Å; W293-Q297 HydrophobicContact CD2-CG 3.74Å; W293-Q297 VanDerWaalsContact CE2-NE2 3.35Å; W293-Q297 HydrophobicContact CE3-CG 4.03Å; W293-Q297 HydrophobicContact CG-CB 4.37Å; W293-Q297 HydrophobicContact CG-CG 4.01Å; W293-Q297 HydrophobicContact CZ2-CG 4.42Å; W293-Q297 HydrophobicContact CZ3-CG 4.48Å; W293-E301 HydrophobicContact CE3-CG 4.47Å; W293-E301 HydrophobicContact CH2-CB 3.94Å; W293-E301 HydrophobicContact CH2-CG 3.53Å; W293-E301 HydrophobicContact CZ2-CG 4.35Å; W293-E301 HydrophobicContact CZ3-CB 3.67Å; W293-E301 HydrophobicContact CZ3-CG 3.6Å
294	G	92.6	Very high	92.8	Very high	37 Å²	37	48.6 Å²	48.6	38%	0.381	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-80.4	172.1	163.6	0	0	0	0	0	112.2	D296 Q297 F298	G294-D296 PolarHBondContact O-N 2.74Å; G294-Q297 PolarHBondContact O-N 3.35Å; G294-F298 PolarHBondContact O-N 3.2Å; G294-F298 VanDerWaalsContact O-N 3.09Å
295	F	92.8	Very high	92.9	Very high	17 Å²	17	48.7 Å²	48.7	8%	0.075	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-42.5	178.8	-81.7	-77.8	0	0	0	113.2	M123 V200 D203 L204 Q297 F298 F299	M123-F295 HydrophobicContact CE-CE1 3.69Å; M123-F295 HydrophobicContact CE-CZ 4.24Å; V200-F295 HydrophobicContact CB-CE2 3.88Å; V200-F295 HydrophobicContact CG2-CD2 4.09Å; V200-F295 HydrophobicContact CG2-CE2 3.76Å; V200-F295 WeakPolarHBondContact O-CE2 3.31Å; V200-F295 WeakPolarHBondContact O-CZ 3.31Å; D203-F295 HydrophobicContact CB-CZ 4.26Å; L204-F295 HydrophobicContact CD1-CD2 4.45Å; L204-F295 HydrophobicContact CD1-CE2 4.48Å; L204-F295 HydrophobicContact CD1-CG 4.46Å; L204-F295 HydrophobicContact CD2-CD1 3.72Å; L204-F295 HydrophobicContact CD2-CE1 3.54Å; L204-F295 HydrophobicContact CD2-CG 4.43Å; L204-F295 HydrophobicContact CD2-CZ 4.14Å; L204-F295 HydrophobicContact CG-CD1 4.22Å; L204-F295 HydrophobicContact CG-CE1 3.86Å; L204-F295 HydrophobicContact CG-CE2 4.31Å; L204-F295 HydrophobicContact CG-CZ 3.92Å; F295-Q297 VanDerWaalsContact C-N 3.33Å; F295-Q297 PolarHBondContact O-N 3.1Å; F295-F298 WeakPolarHBondContact O-CB 3.45Å; F295-F298 PolarHBondContact O-N 3.41Å; F295-F299 HydrophobicContact CB-CD2 4.12Å; F295-F299 HydrophobicContact CB-CE2 3.77Å; F295-F299 AromaticContact CD1-CE2 3.8Å; F295-F299 HydrophobicContact CD1-CE2 3.8Å; F295-F299 AromaticContact CD1-CZ 3.75Å; F295-F299 HydrophobicContact CD1-CZ 3.75Å; F295-F299 HydrophobicContact CG-CE2 4.21Å; F295-F299 WeakPolarHBondContact O-CB 3.48Å; F295-F299 WeakPolarHBondContact O-CD2 3.48Å; F295-F299 WeakPolarHBondContact O-CG 3.35Å; F295-F299 PolarHBondContact O-N 3.05Å
296	D	94.8	Very high	93	Very high	124 Å²	124	50.1 Å²	50.1	66%	0.663	28%	0.283	S	S	*	.	H	α-helix	trans	-60.4	-44.4	-177.3	-60.1	-20.7	0	0	0	111.7	G294 F299 A300	G294-D296 PolarHBondContact O-N 2.74Å; D296-F299 PolarHBondContact O-N 3.15Å; D296-A300 WeakPolarHBondContact O-CB 3.12Å; D296-A300 PolarHBondContact O-N 2.96Å
297	Q	96.2	Very high	93.3	Very high	86 Å²	86	55.8 Å²	55.8	40%	0.402	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-44	176.2	-173.2	168.4	11.3	0	0	111.4	W293 G294 F295 F299 A300 E301	W293-Q297 HydrophobicContact CB-CB 4.46Å; W293-Q297 VanDerWaalsContact CD1-CD 3.49Å; W293-Q297 HydrophobicContact CD2-CB 4.44Å; W293-Q297 HydrophobicContact CD2-CG 3.74Å; W293-Q297 VanDerWaalsContact CE2-NE2 3.35Å; W293-Q297 HydrophobicContact CE3-CG 4.03Å; W293-Q297 HydrophobicContact CG-CB 4.37Å; W293-Q297 HydrophobicContact CG-CG 4.01Å; W293-Q297 HydrophobicContact CZ2-CG 4.42Å; W293-Q297 HydrophobicContact CZ3-CG 4.48Å; G294-Q297 PolarHBondContact O-N 3.35Å; F295-Q297 VanDerWaalsContact C-N 3.33Å; F295-Q297 PolarHBondContact O-N 3.1Å; Q297-F299 VanDerWaalsContact C-N 3.34Å; Q297-F299 PolarHBondContact O-N 3.44Å; Q297-A300 PolarHBondContact O-N 3.13Å; Q297-E301 HydrophobicContact CG-CG 4.15Å; Q297-E301 WeakPolarHBondContact O-CB 3.4Å; Q297-E301 WeakPolarHBondContact O-CG 3.18Å; Q297-E301 PolarHBondContact O-N 3.28Å
298	F	97.1	Very high	93.9	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-45	175.1	169.9	-103.8	0	0	0	112.2	V120 L204 I207 I280 I284 G294 F295 T302	V120-F298 HydrophobicContact CG2-CE1 4.16Å; V120-F298 HydrophobicContact CG2-CZ 4Å; L204-F298 HydrophobicContact CD2-CB 4.04Å; L204-F298 HydrophobicContact CD2-CD1 3.72Å; L204-F298 HydrophobicContact CD2-CD2 4.32Å; L204-F298 HydrophobicContact CD2-CE1 4.25Å; L204-F298 HydrophobicContact CD2-CG 3.75Å; I207-F298 HydrophobicContact CG1-CZ 4.31Å; I207-F298 HydrophobicContact CG2-CE2 4.47Å; I207-F298 HydrophobicContact CG2-CZ 4.19Å; I280-F298 HydrophobicContact CG2-CD2 3.94Å; I280-F298 HydrophobicContact CG2-CE2 4.01Å; I284-F298 HydrophobicContact CD1-CD2 4.25Å; I284-F298 HydrophobicContact CD1-CE2 3.95Å; I284-F298 HydrophobicContact CG2-CD2 3.86Å; G294-F298 PolarHBondContact O-N 3.2Å; G294-F298 VanDerWaalsContact O-N 3.09Å; F295-F298 WeakPolarHBondContact O-CB 3.45Å; F295-F298 PolarHBondContact O-N 3.41Å; F298-T302 HydrophobicContact CD2-CG2 3.98Å; F298-T302 HydrophobicContact CE2-CG2 3.59Å; F298-T302 HydrophobicContact CZ-CG2 3.89Å; F298-T302 WeakPolarHBondContact O-CB 3.31Å; F298-T302 WeakPolarHBondContact O-CG2 3.22Å; F298-T302 PolarHBondContact O-N 3.15Å; F298-T302 PolarHBondContact O-OG1 3.42Å
299	F	97.6	Very high	94.4	Very high	20 Å²	20	55.7 Å²	55.7	9%	0.088	31%	0.309	C	S	.	.	H	α-helix	trans	-68.3	-40.3	178.5	-67.3	-44.5	0	0	0	112.4	V120 M123 N124 R127 F295 D296 Q297 T302 S303	V120-F299 HydrophobicContact CG1-CD1 3.92Å; V120-F299 HydrophobicContact CG1-CE1 4.34Å; M123-F299 HydrophobicContact CB-CE1 4Å; M123-F299 HydrophobicContact CB-CZ 4.18Å; N124-F299 HydrophobicContact CB-CD1 4.37Å; N124-F299 HydrophobicContact CB-CE1 3.93Å; N124-F299 HydrophobicContact CB-CE2 4.38Å; N124-F299 HydrophobicContact CB-CZ 3.94Å; R127-F299 HydrophobicContact CB-CE2 4.25Å; R127-F299 HydrophobicContact CB-CZ 4.42Å; R127-F299 HydrophobicContact CG-CE2 4.19Å; F295-F299 HydrophobicContact CB-CD2 4.12Å; F295-F299 HydrophobicContact CB-CE2 3.77Å; F295-F299 AromaticContact CD1-CE2 3.8Å; F295-F299 HydrophobicContact CD1-CE2 3.8Å; F295-F299 AromaticContact CD1-CZ 3.75Å; F295-F299 HydrophobicContact CD1-CZ 3.75Å; F295-F299 HydrophobicContact CG-CE2 4.21Å; F295-F299 WeakPolarHBondContact O-CB 3.48Å; F295-F299 WeakPolarHBondContact O-CD2 3.48Å; F295-F299 WeakPolarHBondContact O-CG 3.35Å; F295-F299 PolarHBondContact O-N 3.05Å; D296-F299 PolarHBondContact O-N 3.15Å; Q297-F299 VanDerWaalsContact C-N 3.34Å; Q297-F299 PolarHBondContact O-N 3.44Å; F299-T302 PolarHBondContact O-OG1 2.86Å; F299-S303 WeakPolarHBondContact O-CB 3.19Å; F299-S303 PolarHBondContact O-N 3.46Å; F299-S303 PolarHBondContact O-OG 3.18Å
300	A	97.9	Very high	95.2	Very high	60 Å²	60	53.2 Å²	53.2	50%	0.496	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-49.4	175.7	0	0	0	0	0	111.5	D296 Q297 S303 D304	D296-A300 WeakPolarHBondContact O-CB 3.12Å; D296-A300 PolarHBondContact O-N 2.96Å; Q297-A300 PolarHBondContact O-N 3.13Å; A300-S303 PolarHBondContact O-N 3.34Å; A300-D304 WeakPolarHBondContact O-CB 3.1Å; A300-D304 PolarHBondContact O-N 3.47Å
301	E	98.2	Very high	95.9	Very high	80 Å²	80	49 Å²	49	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-70.8	-38.3	-175.7	-65.4	-76.9	172.6	0	0	112.2	I280 W293 Q297 D304 I305	I280-E301 HydrophobicContact CD1-CB 4.06Å; I280-E301 HydrophobicContact CG1-CB 4.26Å; W293-E301 HydrophobicContact CE3-CG 4.47Å; W293-E301 HydrophobicContact CH2-CB 3.94Å; W293-E301 HydrophobicContact CH2-CG 3.53Å; W293-E301 HydrophobicContact CZ2-CG 4.35Å; W293-E301 HydrophobicContact CZ3-CB 3.67Å; W293-E301 HydrophobicContact CZ3-CG 3.6Å; Q297-E301 HydrophobicContact CG-CG 4.15Å; Q297-E301 WeakPolarHBondContact O-CB 3.4Å; Q297-E301 WeakPolarHBondContact O-CG 3.18Å; Q297-E301 PolarHBondContact O-N 3.28Å; E301-D304 PolarHBondContact O-N 3.31Å; E301-I305 WeakPolarHBondContact O-CG1 3.26Å; E301-I305 PolarHBondContact O-N 2.73Å
302	T	97.9	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-36.8	173.8	52	0	0	0	0	112.4	L116 V120 I280 F298 F299 D304 I305 L306	L116-T302 HydrophobicContact CD1-CG2 4.04Å; V120-T302 HydrophobicContact CG2-CG2 4.04Å; I280-T302 HydrophobicContact CD1-CG2 3.82Å; I280-T302 HydrophobicContact CG2-CG2 4.34Å; F298-T302 HydrophobicContact CD2-CG2 3.98Å; F298-T302 HydrophobicContact CE2-CG2 3.59Å; F298-T302 HydrophobicContact CZ-CG2 3.89Å; F298-T302 WeakPolarHBondContact O-CB 3.31Å; F298-T302 WeakPolarHBondContact O-CG2 3.22Å; F298-T302 PolarHBondContact O-N 3.15Å; F298-T302 PolarHBondContact O-OG1 3.42Å; F299-T302 PolarHBondContact O-OG1 2.86Å; T302-D304 VanDerWaalsContact C-N 3.35Å; T302-I305 PolarHBondContact O-N 3Å; T302-L306 VanDerWaalsContact O-CG 3.28Å; T302-L306 WeakPolarHBondContact O-CG 3.46Å; T302-L306 PolarHBondContact O-N 3.34Å; T302-L306 VanDerWaalsContact O-N 3.14Å
303	S	97.4	Very high	96.8	Very high	45 Å²	45	43.7 Å²	43.7	32%	0.315	24%	0.239	S	C	.	.	H	α-helix	trans	-65.8	-38.3	174.3	-62.1	0	0	0	0	111.7	F299 A300 I305 L306 Q307	F299-S303 WeakPolarHBondContact O-CB 3.19Å; F299-S303 PolarHBondContact O-N 3.46Å; F299-S303 PolarHBondContact O-OG 3.18Å; A300-S303 PolarHBondContact O-N 3.34Å; S303-I305 VanDerWaalsContact C-N 3.34Å; S303-I305 PolarHBondContact O-N 3.43Å; S303-L306 PolarHBondContact O-N 3.37Å; S303-L306 VanDerWaalsContact O-N 3.16Å; S303-Q307 WeakPolarHBondContact O-CB 3.47Å; S303-Q307 VanDerWaalsContact O-CG 3.27Å; S303-Q307 WeakPolarHBondContact O-CG 3.44Å; S303-Q307 PolarHBondContact O-N 3.14Å
304	D	97.9	Very high	96.9	Very high	43 Å²	43	42.6 Å²	42.6	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-56.6	-47.2	174.3	-178.1	82.9	0	0	0	111.2	A300 E301 T302 L306 Q307 R308 H327	A300-D304 WeakPolarHBondContact O-CB 3.1Å; A300-D304 PolarHBondContact O-N 3.47Å; E301-D304 PolarHBondContact O-N 3.31Å; T302-D304 VanDerWaalsContact C-N 3.35Å; D304-L306 VanDerWaalsContact C-N 3.34Å; D304-L306 PolarHBondContact O-N 3.16Å; D304-Q307 PolarHBondContact O-N 3.42Å; D304-R308 WeakPolarHBondContact O-CG 3.32Å; D304-R308 PolarHBondContact O-N 3.45Å; D304-R308 IonicContact OD1-NH2 2.98Å; D304-R308 IonicContact OD2-CZ 3.78Å; D304-R308 IonicContact OD2-NE 3.69Å; D304-R308 PolarHBondContact OD2-NE 3.29Å; D304-R308 IonicContact OD2-NH2 3.57Å; D304-R308 PolarHBondContact OD2-NH2 3.39Å; D304-H327 PolarHBondContact O-CE1 3.26Å; D304-H327 IonicContact OD1-CD2 3Å; D304-H327 IonicContact OD1-CE1 2.96Å; D304-H327 PolarHBondContact OD1-CE1 3.37Å; D304-H327 IonicContact OD1-NE2 3.49Å; D304-H327 PolarHBondContact OD1-NE2 2.8Å; D304-H327 IonicContact OD2-NE2 2.95Å
305	I	98	Very high	97.2	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-58.2	-47	174.9	-64.7	177.4	0	0	0	111.3	L113 L116 L273 Q276 I280 E301 T302 S303 Q307 R308	L113-I305 HydrophobicContact CD2-CG2 4.23Å; L116-I305 HydrophobicContact CD2-CG2 4.3Å; L273-I305 HydrophobicContact CD1-CG2 3.78Å; Q276-I305 HydrophobicContact CB-CD1 3.56Å; Q276-I305 HydrophobicContact CB-CG1 3.72Å; Q276-I305 HydrophobicContact CG-CG1 4.45Å; I280-I305 HydrophobicContact CD1-CD1 3.43Å; I280-I305 VanDerWaalsContact CD1-CD1 3.43Å; I280-I305 HydrophobicContact CD1-CG1 4.45Å; E301-I305 WeakPolarHBondContact O-CG1 3.26Å; E301-I305 PolarHBondContact O-N 2.73Å; T302-I305 PolarHBondContact O-N 3Å; S303-I305 VanDerWaalsContact C-N 3.34Å; S303-I305 PolarHBondContact O-N 3.43Å; I305-Q307 VanDerWaalsContact C-N 3.26Å; I305-Q307 PolarHBondContact O-N 3.49Å; I305-R308 PolarHBondContact O-N 2.8Å
306	L	97.6	Very high	97.3	Very high	30 Å²	30	40 Å²	40	16%	0.157	21%	0.213	C	C	.	.	H	α-helix	trans	-72.3	-16.8	-173.8	-68.7	170.6	0	0	0	114.1	L113 L116 R117 T302 S303 D304	L113-L306 HydrophobicContact CD2-CD2 4.4Å; L116-L306 HydrophobicContact CD2-CD2 4.12Å; L116-L306 HydrophobicContact CD2-CG 4.29Å; L116-L306 HydrophobicContact CG-CD1 4.47Å; L116-L306 HydrophobicContact CG-CD2 4.34Å; R117-L306 HydrophobicContact CB-CD1 4.08Å; R117-L306 HydrophobicContact CB-CD2 3.93Å; R117-L306 HydrophobicContact CG-CD1 4.29Å; T302-L306 VanDerWaalsContact O-CG 3.28Å; T302-L306 WeakPolarHBondContact O-CG 3.46Å; T302-L306 PolarHBondContact O-N 3.34Å; T302-L306 VanDerWaalsContact O-N 3.14Å; S303-L306 PolarHBondContact O-N 3.37Å; S303-L306 VanDerWaalsContact O-N 3.16Å; D304-L306 VanDerWaalsContact C-N 3.34Å; D304-L306 PolarHBondContact O-N 3.16Å
307	Q	97.3	Very high	97.2	Very high	137 Å²	137	34.1 Å²	34.1	64%	0.64	18%	0.182	S	C	*	.	H	α-helix	trans	-92	-13.8	177.2	-73.1	175.4	5.4	0	0	113.5	S303 D304 I305	S303-Q307 WeakPolarHBondContact O-CB 3.47Å; S303-Q307 VanDerWaalsContact O-CG 3.27Å; S303-Q307 WeakPolarHBondContact O-CG 3.44Å; S303-Q307 PolarHBondContact O-N 3.14Å; D304-Q307 PolarHBondContact O-N 3.42Å; I305-Q307 VanDerWaalsContact C-N 3.26Å; I305-Q307 PolarHBondContact O-N 3.49Å
308	R	97.1	Very high	97.1	Very high	60 Å²	60	30.4 Å²	30.4	23%	0.226	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-72.9	143.1	177.8	-70.9	168.7	-174.7	-110.5	1.9	111.4	D304 I305 Y325 I326	D304-R308 WeakPolarHBondContact O-CG 3.32Å; D304-R308 PolarHBondContact O-N 3.45Å; D304-R308 IonicContact OD1-NH2 2.98Å; D304-R308 IonicContact OD2-CZ 3.78Å; D304-R308 IonicContact OD2-NE 3.69Å; D304-R308 PolarHBondContact OD2-NE 3.29Å; D304-R308 IonicContact OD2-NH2 3.57Å; D304-R308 PolarHBondContact OD2-NH2 3.39Å; I305-R308 PolarHBondContact O-N 2.8Å; R308-Y325 HydrophobicContact CB-CD1 4.21Å; R308-Y325 PolarHBondContact NH1-O 3.43Å; R308-Y325 VanDerWaalsContact NH1-O 3.1Å; R308-I326 CarbonylContact C-O 3.52Å; R308-I326 WeakPolarHBondContact CA-O 3.43Å
309	V	95.8	Very high	97	Very high	67 Å²	67	30.5 Å²	30.5	41%	0.406	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	152	165.4	-61.3	0	0	0	0	109.8	I326	V309-I326 HydrophobicContact CG2-CG2 4.01Å; V309-I326 VanDerWaalsContact CG2-O 3.26Å; V309-I326 WeakPolarHBondContact CG2-O 3.41Å; V309-I326 PolarHBondContact N-O 3.28Å; V309-I326 PolarHBondContact O-N 3.38Å
310	V	97.2	Very high	96.9	Very high	43 Å²	43	31 Å²	31	26%	0.261	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.3	176.4	-176.9	0	0	0	0	109.4	H323 I324 Y325	V310-H323 HydrophobicContact CG1-CB 3.86Å; V310-I324 WeakPolarHBondContact CA-O 3.47Å; V310-Y325 HydrophobicContact CG1-CE2 4.45Å; V310-Y325 HydrophobicContact CG2-CD1 4.04Å; V310-Y325 HydrophobicContact CG2-CD2 4.24Å; V310-Y325 HydrophobicContact CG2-CE1 3.68Å; V310-Y325 HydrophobicContact CG2-CE2 3.87Å; V310-Y325 HydrophobicContact CG2-CG 4.31Å
311	V	98.1	Very high	96.8	Very high	9 Å²	9	30.8 Å²	30.8	6%	0.055	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.1	169.7	-178.3	0	0	0	0	108.7	V313 I324 I326 F335 I370 T373 L379	V311-V313 HydrophobicContact CG1-CG2 4.24Å; V311-I324 HydrophobicContact CB-CB 4.41Å; V311-I324 PolarHBondContact N-O 2.97Å; V311-I324 WeakPolarHBondContact O-CB 3.46Å; V311-I324 PolarHBondContact O-N 2.61Å; V311-I326 HydrophobicContact CG2-CG2 4.14Å; V311-F335 HydrophobicContact CB-CE2 3.85Å; V311-F335 HydrophobicContact CG1-CE2 3.63Å; V311-F335 HydrophobicContact CG1-CZ 3.94Å; V311-F335 HydrophobicContact CG2-CE2 4.38Å; V311-I370 HydrophobicContact CG1-CG2 4.02Å; V311-I370 HydrophobicContact CG2-CD1 4.47Å; V311-I370 HydrophobicContact CG2-CG2 4.43Å; V311-T373 HydrophobicContact CG1-CG2 4.28Å; V311-L379 HydrophobicContact CG1-CD1 3.82Å
312	H	98.5	Very high	96.8	Very high	30 Å²	30	27.6 Å²	27.6	14%	0.139	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122	179.9	-55.4	82.1	0	0	0	109.6	L321 H322 H323 T373 T374 A375 P378 L379	H312-L321 HydrophobicContact CB-CD1 4.37Å; H312-H322 WeakPolarHBondContact CA-O 3.41Å; H312-H323 AromaticContact CD2-CD2 3.85Å; H312-H323 AromaticContact CD2-NE2 3.9Å; H312-T373 PolarHBondContact N-OG1 2.92Å; H312-T373 PolarHBondContact ND1-O 3.49Å; H312-T373 VanDerWaalsContact ND1-O 3.14Å; H312-T373 PolarHBondContact ND1-OG1 3.29Å; H312-T374 WeakPolarHBondContact CB-O 3.36Å; H312-T374 WeakPolarHBondContact ND1-CA 2.98Å; H312-A375 PolarHBondContact CD2-N 3.3Å; H312-P378 HydrophobicContact CB-CB 3.86Å; H312-P378 WeakPolarHBondContact O-CA 3.49Å; H312-P378 WeakPolarHBondContact O-CB 3.17Å; H312-L379 PolarHBondContact O-N 2.89Å
313	V	98.2	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.4	-179.2	-179.5	0	0	0	0	109.4	V311 H322 I324 F335 V339 Y352 L379 L381	V311-V313 HydrophobicContact CG1-CG2 4.24Å; V313-H322 PolarHBondContact N-O 2.7Å; V313-H322 WeakPolarHBondContact O-CB 3.48Å; V313-H322 PolarHBondContact O-N 3.1Å; V313-I324 HydrophobicContact CB-CG1 4.3Å; V313-I324 HydrophobicContact CG2-CG1 3.76Å; V313-F335 HydrophobicContact CG2-CE2 4.03Å; V313-F335 HydrophobicContact CG2-CZ 3.68Å; V313-V339 HydrophobicContact CG2-CG2 4.19Å; V313-Y352 HydrophobicContact CG1-CE1 4.07Å; V313-L379 CarbonylContact C-O 3.55Å; V313-L379 WeakPolarHBondContact CA-O 3.5Å; V313-L379 HydrophobicContact CG2-CB 4.36Å; V313-L381 HydrophobicContact CG1-CB 3.82Å; V313-L381 HydrophobicContact CG1-CD2 4.43Å
314	F	97.9	Very high	96.8	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.5	172.7	-176.3	-109.6	0	0	0	110.2	L316 V320 L321 P378 L379 T380 L381 L438 M439	F314-L316 HydrophobicContact CD1-CD1 4.36Å; F314-L316 HydrophobicContact CE1-CD1 3.8Å; F314-L316 PolarHBondContact O-N 3.45Å; F314-L316 VanDerWaalsContact O-N 3.1Å; F314-V320 WeakPolarHBondContact CD2-O 3.41Å; F314-L321 HydrophobicContact CB-CD1 4.13Å; F314-L321 HydrophobicContact CD2-CB 4.15Å; F314-P378 HydrophobicContact CB-CB 4.09Å; F314-P378 HydrophobicContact CB-CG 3.6Å; F314-L379 PolarHBondContact N-O 2.81Å; F314-T380 CarbonylContact O-C 3.18Å; F314-L381 PolarHBondContact O-N 3.26Å; F314-L438 HydrophobicContact CB-CD1 4.37Å; F314-L438 HydrophobicContact CD1-CB 3.86Å; F314-L438 HydrophobicContact CD2-CB 3.9Å; F314-L438 HydrophobicContact CD2-CD1 3.45Å; F314-L438 VanDerWaalsContact CD2-CD1 3.45Å; F314-L438 HydrophobicContact CD2-CG 4.28Å; F314-L438 HydrophobicContact CE1-CB 3.62Å; F314-L438 HydrophobicContact CE2-CB 3.68Å; F314-L438 HydrophobicContact CE2-CD1 3.8Å; F314-L438 HydrophobicContact CE2-CG 4.38Å; F314-L438 HydrophobicContact CG-CB 3.99Å; F314-L438 HydrophobicContact CG-CD1 3.93Å; F314-L438 HydrophobicContact CG-CG 4.48Å; F314-L438 HydrophobicContact CZ-CB 3.53Å; F314-M439 HydrophobicContact CE1-CG 4.37Å; F314-M439 HydrophobicContact CZ-CG 3.88Å
315	S	97.1	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	98.6	172.7	-178.1	0	0	0	0	108.7	S317 Q318 A319 V320	S315-S317 VanDerWaalsContact C-N 3.26Å; S315-S317 PolarHBondContact O-N 3.3Å; S315-Q318 PolarHBondContact O-N 2.95Å; S315-Q318 WeakPolarHBondContact OG-CB 3.11Å; S315-Q318 WeakPolarHBondContact OG-CG 3.5Å; S315-Q318 PolarHBondContact OG-OE1 2.75Å; S315-A319 WeakPolarHBondContact O-CA 3.4Å; S315-A319 PolarHBondContact O-N 3.43Å; S315-V320 PolarHBondContact N-O 2.96Å; S315-V320 PolarHBondContact O-N 3.46Å
316	L	96.3	Very high	96.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-41	-174.4	-175.8	59	0	0	0	111.1	F314 A319 T380 L381 F382 V446 H607 M611	F314-L316 HydrophobicContact CD1-CD1 4.36Å; F314-L316 HydrophobicContact CE1-CD1 3.8Å; F314-L316 PolarHBondContact O-N 3.45Å; F314-L316 VanDerWaalsContact O-N 3.1Å; L316-A319 PolarHBondContact O-N 3.38Å; L316-T380 HydrophobicContact CB-CG2 3.92Å; L316-T380 HydrophobicContact CD2-CG2 4.18Å; L316-T380 HydrophobicContact CG-CG2 4.45Å; L316-L381 WeakPolarHBondContact CB-O 3.39Å; L316-L381 PolarHBondContact N-O 2.86Å; L316-F382 HydrophobicContact CD2-CD2 4.14Å; L316-V446 HydrophobicContact CD2-CG2 3.85Å; L316-H607 PolarHBondContact O-NE2 3.24Å; L316-M611 HydrophobicContact CD2-CE 4.48Å; L316-M611 HydrophobicContact CD2-SD 3.94Å; L316-M611 HydrophobicContact CG-CE 4.38Å; L316-M611 HydrophobicContact CG-SD 3.86Å
317	S	91.4	Very high	96.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-34.1	-176.2	-32.3	0	0	0	0	112.2	S315 S383 A385 I386 P387	S315-S317 VanDerWaalsContact C-N 3.26Å; S315-S317 PolarHBondContact O-N 3.3Å; S317-S383 VanDerWaalsContact CB-O 3.31Å; S317-S383 WeakPolarHBondContact CB-O 3.23Å; S317-S383 VanDerWaalsContact OG-C 3.26Å; S317-S383 PolarHBondContact OG-N 3.37Å; S317-S383 VanDerWaalsContact OG-N 3.11Å; S317-S383 PolarHBondContact OG-O 3.22Å; S317-S383 PolarHBondContact OG-OG 3.23Å; S317-A385 WeakPolarHBondContact CB-O 3.34Å; S317-I386 CarbonylContact O-C 3.58Å; S317-P387 WeakPolarHBondContact O-CA 3.45Å; S317-P387 WeakPolarHBondContact O-CD 3.14Å; S317-P387 WeakPolarHBondContact O-CG 3.35Å
318	Q	94.1	Very high	96.7	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.037	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-17.5	176.3	-63.9	177.2	-29	0	0	112.9	S315 V320 T343 A385 K388 G389	S315-Q318 PolarHBondContact O-N 2.95Å; S315-Q318 WeakPolarHBondContact OG-CB 3.11Å; S315-Q318 WeakPolarHBondContact OG-CG 3.5Å; S315-Q318 PolarHBondContact OG-OE1 2.75Å; Q318-V320 HydrophobicContact CB-CG2 4.36Å; Q318-T343 PolarHBondContact NE2-O 3.44Å; Q318-A385 HydrophobicContact CG-CB 3.74Å; Q318-K388 PolarHBondContact O-N 2.9Å; Q318-G389 PolarHBondContact O-N 3.23Å
319	A	95.4	Very high	96.6	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.025	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	48	-171.2	0	0	0	0	0	113	S315 L316 M439 L604	S315-A319 WeakPolarHBondContact O-CA 3.4Å; S315-A319 PolarHBondContact O-N 3.43Å; L316-A319 PolarHBondContact O-N 3.38Å; A319-M439 HydrophobicContact CB-CG 3.8Å; A319-M439 HydrophobicContact CB-SD 3.45Å; A319-M439 WeakPolarHBondContact CB-SD 3.4Å; A319-L604 HydrophobicContact CB-CD1 3.52Å
320	V	95.2	Very high	96.7	Very high	30 Å²	30	22 Å²	22	18%	0.182	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134	-178.3	179.9	0	0	0	0	110.3	F314 S315 Q318 H322 G389	F314-V320 WeakPolarHBondContact CD2-O 3.41Å; S315-V320 PolarHBondContact N-O 2.96Å; S315-V320 PolarHBondContact O-N 3.46Å; Q318-V320 HydrophobicContact CB-CG2 4.36Å; V320-H322 PolarHBondContact O-CD2 3.14Å; V320-G389 WeakPolarHBondContact CG2-O 3.44Å
321	L	96.9	Very high	96.7	Very high	55 Å²	55	22.3 Å²	22.3	29%	0.288	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.1	170.8	-177.2	68	0	0	0	110	H312 F314 A375 P378 L438	H312-L321 HydrophobicContact CB-CD1 4.37Å; F314-L321 HydrophobicContact CB-CD1 4.13Å; F314-L321 HydrophobicContact CD2-CB 4.15Å; L321-A375 HydrophobicContact CD2-CB 3.79Å; L321-P378 HydrophobicContact CD1-CB 3.77Å; L321-P378 HydrophobicContact CD1-CG 4.04Å; L321-L438 HydrophobicContact CB-CD1 4.48Å; L321-L438 HydrophobicContact CD1-CD1 4.33Å
322	H	97.3	Very high	96.7	Very high	14 Å²	14	22.1 Å²	22.1	7%	0.065	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.1	180	-62.9	-85.5	0	0	0	110.5	H312 V313 V320 I324 Q342	H312-H322 WeakPolarHBondContact CA-O 3.41Å; V313-H322 PolarHBondContact N-O 2.7Å; V313-H322 WeakPolarHBondContact O-CB 3.48Å; V313-H322 PolarHBondContact O-N 3.1Å; V320-H322 PolarHBondContact O-CD2 3.14Å; H322-I324 HydrophobicContact CB-CD1 4.06Å; H322-Q342 PolarHBondContact ND1-OE1 2.69Å
323	H	97.9	Very high	96.7	Very high	38 Å²	38	22.9 Å²	22.9	18%	0.176	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.5	171.7	-63.5	-170.2	0	0	0	107.5	E109 S270 G272 V310 H312 Y325 Q342	E109-H323 IonicContact OE1-CE1 2.86Å; E109-H323 IonicContact OE1-ND1 2.71Å; E109-H323 PolarHBondContact OE1-ND1 3.26Å; E109-H323 IonicContact OE2-ND1 3.76Å; S270-H323 WeakPolarHBondContact CB-ND1 3.35Å; S270-H323 WeakPolarHBondContact OG-CB 3.48Å; S270-H323 PolarHBondContact OG-ND1 2.77Å; G272-H323 WeakPolarHBondContact CA-O 3.25Å; V310-H323 HydrophobicContact CG1-CB 3.86Å; H312-H323 AromaticContact CD2-CD2 3.85Å; H312-H323 AromaticContact CD2-NE2 3.9Å; H323-Y325 HydrophobicContact CB-CD2 4.47Å; H323-Y325 HydrophobicContact CB-CE2 4.09Å; H323-Q342 PolarHBondContact O-NE2 2.77Å
324	I	98.2	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	109.5	-178.9	-50.1	-56.5	0	0	0	108.5	V310 V311 V313 H322 F335 A338 V339 Q342	V310-I324 WeakPolarHBondContact CA-O 3.47Å; V311-I324 HydrophobicContact CB-CB 4.41Å; V311-I324 PolarHBondContact N-O 2.97Å; V311-I324 WeakPolarHBondContact O-CB 3.46Å; V311-I324 PolarHBondContact O-N 2.61Å; V313-I324 HydrophobicContact CB-CG1 4.3Å; V313-I324 HydrophobicContact CG2-CG1 3.76Å; H322-I324 HydrophobicContact CB-CD1 4.06Å; I324-F335 HydrophobicContact CB-CD2 4.41Å; I324-F335 HydrophobicContact CB-CE2 4.04Å; I324-F335 HydrophobicContact CG1-CE2 4.14Å; I324-F335 HydrophobicContact CG2-CD2 3.79Å; I324-F335 HydrophobicContact CG2-CE2 3.9Å; I324-A338 HydrophobicContact CG2-CB 3.69Å; I324-V339 HydrophobicContact CD1-CG2 4.02Å; I324-V339 HydrophobicContact CG1-CG2 3.87Å; I324-Q342 HydrophobicContact CD1-CG 4.33Å
325	Y	97.7	Very high	96.6	Very high	13 Å²	13	26.7 Å²	26.7	5%	0.051	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.1	177.5	-80.5	-107	0	0	0	110	E109 L113 L273 R308 V310 H323	E109-Y325 VanDerWaalsContact CD-OH 3.23Å; E109-Y325 PolarHBondContact OE1-OH 3.19Å; L113-Y325 HydrophobicContact CD1-CE1 4.5Å; L273-Y325 HydrophobicContact CB-CE2 3.84Å; L273-Y325 HydrophobicContact CD1-CE1 4.05Å; R308-Y325 HydrophobicContact CB-CD1 4.21Å; R308-Y325 PolarHBondContact NH1-O 3.43Å; R308-Y325 VanDerWaalsContact NH1-O 3.1Å; V310-Y325 HydrophobicContact CG1-CE2 4.45Å; V310-Y325 HydrophobicContact CG2-CD1 4.04Å; V310-Y325 HydrophobicContact CG2-CD2 4.24Å; V310-Y325 HydrophobicContact CG2-CE1 3.68Å; V310-Y325 HydrophobicContact CG2-CE2 3.87Å; V310-Y325 HydrophobicContact CG2-CG 4.31Å; H323-Y325 HydrophobicContact CB-CD2 4.47Å; H323-Y325 HydrophobicContact CB-CE2 4.09Å
326	I	97.4	Very high	96.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	150.1	-175.8	-168.3	171.6	0	0	0	111.3	R308 V309 V311 N330 I334 F335 A367	R308-I326 CarbonylContact C-O 3.52Å; R308-I326 WeakPolarHBondContact CA-O 3.43Å; V309-I326 HydrophobicContact CG2-CG2 4.01Å; V309-I326 VanDerWaalsContact CG2-O 3.26Å; V309-I326 WeakPolarHBondContact CG2-O 3.41Å; V309-I326 PolarHBondContact N-O 3.28Å; V309-I326 PolarHBondContact O-N 3.38Å; V311-I326 HydrophobicContact CG2-CG2 4.14Å; I326-N330 HydrophobicContact CD1-CB 3.79Å; I326-N330 HydrophobicContact CG1-CB 3.7Å; I326-N330 WeakPolarHBondContact CG1-OD1 3.27Å; I326-I334 HydrophobicContact CD1-CG2 4.31Å; I326-F335 HydrophobicContact CD1-CB 3.49Å; I326-F335 VanDerWaalsContact CD1-CB 3.49Å; I326-F335 HydrophobicContact CD1-CD2 4.45Å; I326-F335 HydrophobicContact CD1-CG 4.47Å; I326-A367 HydrophobicContact CD1-CB 3.94Å; I326-A367 HydrophobicContact CG2-CB 4.46Å
327	H	97.5	Very high	96.7	Very high	18 Å²	18	31.4 Å²	31.4	8%	0.083	17%	0.17	C	C	.	.			trans	-76	142.1	170.5	-67.8	-72.4	0	0	0	111.3	D304 H329 N330	D304-H327 PolarHBondContact O-CE1 3.26Å; D304-H327 IonicContact OD1-CD2 3Å; D304-H327 IonicContact OD1-CE1 2.96Å; D304-H327 PolarHBondContact OD1-CE1 3.37Å; D304-H327 IonicContact OD1-NE2 3.49Å; D304-H327 PolarHBondContact OD1-NE2 2.8Å; D304-H327 IonicContact OD2-NE2 2.95Å; H327-H329 WeakPolarHBondContact CB-CE1 3.45Å; H327-H329 AromaticContact CG-CE1 3.63Å; H327-H329 PolarHBondContact O-N 3.47Å; H327-H329 VanDerWaalsContact O-N 3.15Å; H327-N330 WeakPolarHBondContact CB-OD1 3.26Å; H327-N330 PolarHBondContact N-OD1 2.94Å; H327-N330 WeakPolarHBondContact O-CB 3.37Å; H327-N330 PolarHBondContact O-N 3.39Å
328	A	95.2	Very high	97	Very high	35 Å²	35	32.6 Å²	32.6	29%	0.289	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.8	179.7	0	0	0	0	0	113.1	S366 A367 Q368	A328-S366 PolarHBondContact O-OG 3.5Å; A328-A367 PolarHBondContact O-N 3Å; A328-Q368 HydrophobicContact CB-CB 4.08Å; A328-Q368 WeakPolarHBondContact O-CB 3.28Å; A328-Q368 PolarHBondContact O-N 3.49Å
329	H	95.3	Very high	97.2	Very high	135 Å²	135	32.2 Å²	32.2	63%	0.625	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-7.3	178.6	67.7	-99.1	0	0	0	114.1	H327 S366	H327-H329 WeakPolarHBondContact CB-CE1 3.45Å; H327-H329 AromaticContact CG-CE1 3.63Å; H327-H329 PolarHBondContact O-N 3.47Å; H327-H329 VanDerWaalsContact O-N 3.15Å; H329-S366 WeakPolarHBondContact CA-OG 3.36Å
330	N	97.6	Very high	97.2	Very high	26 Å²	26	35 Å²	35	14%	0.139	19%	0.19	C	C	.	.	S	Bend	trans	-69.4	154.5	175.1	-68.4	160	0	0	0	110.4	I326 H327 I334 S366 A367	I326-N330 HydrophobicContact CD1-CB 3.79Å; I326-N330 HydrophobicContact CG1-CB 3.7Å; I326-N330 WeakPolarHBondContact CG1-OD1 3.27Å; H327-N330 WeakPolarHBondContact CB-OD1 3.26Å; H327-N330 PolarHBondContact N-OD1 2.94Å; H327-N330 WeakPolarHBondContact O-CB 3.37Å; H327-N330 PolarHBondContact O-N 3.39Å; N330-I334 HydrophobicContact CB-CB 4.2Å; N330-I334 HydrophobicContact CB-CD1 3.97Å; N330-I334 HydrophobicContact CB-CG2 4.19Å; N330-S366 CarbonylContact O-C 3.53Å; N330-S366 WeakPolarHBondContact O-CA 3.42Å; N330-A367 VanDerWaalsContact O-CB 3.3Å; N330-A367 WeakPolarHBondContact O-CB 3.34Å; N330-A367 PolarHBondContact O-N 2.88Å
331	T	98	Very high	97.3	Very high	50 Å²	50	41.3 Å²	41.3	31%	0.307	22%	0.215	S	C	.	.	B	Isolated β-bridge	trans	-77.2	158.1	175.3	59.8	0	0	0	0	111.5	A333 I334 F335 P363 V365	T331-A333 PolarHBondContact O-N 3.38Å; T331-I334 WeakPolarHBondContact O-CB 3.29Å; T331-I334 PolarHBondContact O-N 3.04Å; T331-F335 PolarHBondContact O-N 3.03Å; T331-P363 WeakPolarHBondContact CB-O 3.5Å; T331-V365 CarbonylContact C-O 3.52Å; T331-V365 WeakPolarHBondContact CA-O 3.19Å
332	I	97.6	Very high	97.2	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	21%	0.209	C	C	.	.	H	α-helix	trans	-58.5	-30.6	172.3	-78.8	170	0	0	0	111.5	I334 F335 Q336 L361 E362 V365 I370	I332-I334 VanDerWaalsContact C-N 3.28Å; I332-I334 PolarHBondContact O-N 3.48Å; I332-F335 WeakPolarHBondContact O-CA 3.43Å; I332-F335 WeakPolarHBondContact O-CB 3.43Å; I332-F335 PolarHBondContact O-N 3.06Å; I332-F335 VanDerWaalsContact O-N 3.12Å; I332-Q336 HydrophobicContact CG2-CG 4.13Å; I332-Q336 WeakPolarHBondContact O-CG 3.47Å; I332-Q336 PolarHBondContact O-N 2.93Å; I332-L361 HydrophobicContact CD1-CB 4.05Å; I332-L361 HydrophobicContact CD1-CD2 4.18Å; I332-L361 HydrophobicContact CG2-CB 3.63Å; I332-E362 WeakPolarHBondContact CB-O 3.44Å; I332-E362 WeakPolarHBondContact CD1-O 3.37Å; I332-V365 HydrophobicContact CD1-CB 4.07Å; I332-V365 HydrophobicContact CD1-CG1 4.35Å; I332-V365 WeakPolarHBondContact CG1-O 3.47Å; I332-V365 PolarHBondContact N-O 3.33Å; I332-I370 HydrophobicContact CG1-CD1 4.38Å; I332-I370 HydrophobicContact CG1-CG1 4.34Å
333	A	97.8	Very high	97	Very high	45 Å²	45	39.6 Å²	39.6	37%	0.372	21%	0.205	S	C	.	.	H	α-helix	trans	-57.3	-41.4	172.8	0	0	0	0	0	112.4	T331 Q336 E337 P363	T331-A333 PolarHBondContact O-N 3.38Å; A333-Q336 PolarHBondContact O-N 3.43Å; A333-E337 PolarHBondContact O-N 3.45Å; A333-P363 HydrophobicContact CB-CB 4.15Å; A333-P363 PolarHBondContact N-O 3.12Å; A333-P363 VanDerWaalsContact N-O 3.08Å
334	I	97.7	Very high	96.9	Very high	82 Å²	82	42 Å²	42	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-67.4	-39.7	175.9	-63.4	169.5	0	0	0	110.4	I326 N330 T331 I332 E337 A338	I326-I334 HydrophobicContact CD1-CG2 4.31Å; N330-I334 HydrophobicContact CB-CB 4.2Å; N330-I334 HydrophobicContact CB-CD1 3.97Å; N330-I334 HydrophobicContact CB-CG2 4.19Å; T331-I334 WeakPolarHBondContact O-CB 3.29Å; T331-I334 PolarHBondContact O-N 3.04Å; I332-I334 VanDerWaalsContact C-N 3.28Å; I332-I334 PolarHBondContact O-N 3.48Å; I334-E337 PolarHBondContact O-N 2.92Å; I334-A338 PolarHBondContact O-N 3.27Å
335	F	98.1	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-48.3	173.3	169.2	-104.5	0	0	0	112.2	V311 V313 I324 I326 T331 I332 E337 A338 V339 Y352 L361 I370 L379	V311-F335 HydrophobicContact CB-CE2 3.85Å; V311-F335 HydrophobicContact CG1-CE2 3.63Å; V311-F335 HydrophobicContact CG1-CZ 3.94Å; V311-F335 HydrophobicContact CG2-CE2 4.38Å; V313-F335 HydrophobicContact CG2-CE2 4.03Å; V313-F335 HydrophobicContact CG2-CZ 3.68Å; I324-F335 HydrophobicContact CB-CD2 4.41Å; I324-F335 HydrophobicContact CB-CE2 4.04Å; I324-F335 HydrophobicContact CG1-CE2 4.14Å; I324-F335 HydrophobicContact CG2-CD2 3.79Å; I324-F335 HydrophobicContact CG2-CE2 3.9Å; I326-F335 HydrophobicContact CD1-CB 3.49Å; I326-F335 VanDerWaalsContact CD1-CB 3.49Å; I326-F335 HydrophobicContact CD1-CD2 4.45Å; I326-F335 HydrophobicContact CD1-CG 4.47Å; T331-F335 PolarHBondContact O-N 3.03Å; I332-F335 WeakPolarHBondContact O-CA 3.43Å; I332-F335 WeakPolarHBondContact O-CB 3.43Å; I332-F335 PolarHBondContact O-N 3.06Å; I332-F335 VanDerWaalsContact O-N 3.12Å; F335-E337 VanDerWaalsContact C-N 3.28Å; F335-E337 PolarHBondContact O-N 2.84Å; F335-A338 WeakPolarHBondContact O-CB 3.4Å; F335-A338 PolarHBondContact O-N 3.19Å; F335-A338 VanDerWaalsContact O-N 3.11Å; F335-V339 HydrophobicContact CD1-CG2 4.46Å; F335-V339 HydrophobicContact CD2-CG2 4.31Å; F335-V339 HydrophobicContact CE1-CG2 4.01Å; F335-V339 HydrophobicContact CE2-CG2 3.83Å; F335-V339 HydrophobicContact CZ-CG2 3.68Å; F335-V339 WeakPolarHBondContact O-CG2 3.33Å; F335-V339 PolarHBondContact O-N 3.38Å; F335-Y352 HydrophobicContact CE1-CE1 4.25Å; F335-Y352 HydrophobicContact CE1-CE2 4.41Å; F335-Y352 AromaticContact CE1-CZ 3.87Å; F335-Y352 HydrophobicContact CZ-CE1 4.47Å; F335-L361 HydrophobicContact CD1-CD1 4.13Å; F335-L361 HydrophobicContact CE1-CD1 3.7Å; F335-I370 HydrophobicContact CB-CD1 4.33Å; F335-I370 HydrophobicContact CD1-CD1 4.03Å; F335-I370 HydrophobicContact CD2-CD1 4.05Å; F335-I370 HydrophobicContact CE1-CD1 4.35Å; F335-I370 HydrophobicContact CE2-CD1 4.38Å; F335-I370 HydrophobicContact CG-CD1 3.86Å; F335-L379 HydrophobicContact CE1-CD1 4.38Å; F335-L379 HydrophobicContact CZ-CD1 3.94Å
336	Q	97.7	Very high	96.6	Very high	22 Å²	22	43.2 Å²	43.2	10%	0.103	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-36.9	179.4	-71	174.3	-25.2	0	0	111.6	I332 A333 V339 H340 P347 Q350	I332-Q336 HydrophobicContact CG2-CG 4.13Å; I332-Q336 WeakPolarHBondContact O-CG 3.47Å; I332-Q336 PolarHBondContact O-N 2.93Å; A333-Q336 PolarHBondContact O-N 3.43Å; Q336-V339 PolarHBondContact O-N 2.83Å; Q336-H340 WeakPolarHBondContact O-CB 3.48Å; Q336-H340 PolarHBondContact O-N 3.48Å; Q336-P347 HydrophobicContact CB-CB 4.01Å; Q336-P347 HydrophobicContact CB-CG 4.15Å; Q336-Q350 VanDerWaalsContact CA-OE1 3.3Å; Q336-Q350 VanDerWaalsContact CG-OE1 3.3Å; Q336-Q350 PolarHBondContact O-NE2 3.09Å; Q336-Q350 PolarHBondContact O-OE1 2.82Å
337	E	97.6	Very high	96.4	Very high	78 Å²	78	45.3 Å²	45.3	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-68.1	-39.7	173.2	-174.8	53.9	-144.5	0	0	112.1	A333 I334 F335 V339 H340 K341	A333-E337 PolarHBondContact O-N 3.45Å; I334-E337 PolarHBondContact O-N 2.92Å; F335-E337 VanDerWaalsContact C-N 3.28Å; F335-E337 PolarHBondContact O-N 2.84Å; E337-V339 VanDerWaalsContact C-N 3.32Å; E337-V339 PolarHBondContact O-N 3.15Å; E337-H340 WeakPolarHBondContact O-CB 3.04Å; E337-H340 PolarHBondContact O-N 2.9Å; E337-H340 VanDerWaalsContact O-N 3.15Å; E337-H340 IonicContact OE1-CD2 3.93Å; E337-K341 WeakPolarHBondContact O-CG 3.49Å; E337-K341 PolarHBondContact O-N 3.42Å
338	A	97.1	Very high	96.2	Very high	24 Å²	24	54.6 Å²	54.6	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-38.8	174.1	0	0	0	0	0	112	I324 I334 F335 K341 Q342	I324-A338 HydrophobicContact CG2-CB 3.69Å; I334-A338 PolarHBondContact O-N 3.27Å; F335-A338 WeakPolarHBondContact O-CB 3.4Å; F335-A338 PolarHBondContact O-N 3.19Å; F335-A338 VanDerWaalsContact O-N 3.11Å; A338-K341 PolarHBondContact O-N 2.82Å; A338-Q342 PolarHBondContact O-N 3.28Å
339	V	97.4	Very high	96.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.1	-41.9	171.3	173.3	0	0	0	0	110.7	V313 I324 F335 Q336 E337 K341 Q342 T343 L381	V313-V339 HydrophobicContact CG2-CG2 4.19Å; I324-V339 HydrophobicContact CD1-CG2 4.02Å; I324-V339 HydrophobicContact CG1-CG2 3.87Å; F335-V339 HydrophobicContact CD1-CG2 4.46Å; F335-V339 HydrophobicContact CD2-CG2 4.31Å; F335-V339 HydrophobicContact CE1-CG2 4.01Å; F335-V339 HydrophobicContact CE2-CG2 3.83Å; F335-V339 HydrophobicContact CZ-CG2 3.68Å; F335-V339 WeakPolarHBondContact O-CG2 3.33Å; F335-V339 PolarHBondContact O-N 3.38Å; Q336-V339 PolarHBondContact O-N 2.83Å; E337-V339 VanDerWaalsContact C-N 3.32Å; E337-V339 PolarHBondContact O-N 3.15Å; V339-K341 VanDerWaalsContact C-N 3.34Å; V339-K341 PolarHBondContact O-N 3.18Å; V339-Q342 PolarHBondContact O-N 2.56Å; V339-T343 HydrophobicContact CG1-CG2 3.92Å; V339-T343 WeakPolarHBondContact O-CB 3.38Å; V339-T343 WeakPolarHBondContact O-CG2 3.26Å; V339-T343 PolarHBondContact O-N 2.8Å; V339-T343 PolarHBondContact O-OG1 3.04Å; V339-L381 HydrophobicContact CG1-CD2 3.81Å
340	H	96.5	Very high	96.1	Very high	61 Å²	61	52 Å²	52	28%	0.282	27%	0.268	S	S	.	.	H	α-helix	trans	-58.5	-45.2	177	177.3	58.9	0	0	0	111.7	Q336 E337 Q342 T343 S344 V345 A346	Q336-H340 WeakPolarHBondContact O-CB 3.48Å; Q336-H340 PolarHBondContact O-N 3.48Å; E337-H340 WeakPolarHBondContact O-CB 3.04Å; E337-H340 PolarHBondContact O-N 2.9Å; E337-H340 VanDerWaalsContact O-N 3.15Å; E337-H340 IonicContact OE1-CD2 3.93Å; H340-Q342 VanDerWaalsContact C-N 3.25Å; H340-Q342 PolarHBondContact O-N 3.48Å; H340-T343 PolarHBondContact O-N 3.2Å; H340-S344 WeakPolarHBondContact O-CA 3.33Å; H340-S344 PolarHBondContact O-N 2.93Å; H340-V345 WeakPolarHBondContact CA-O 3.5Å; H340-V345 WeakPolarHBondContact CB-O 3.36Å; H340-V345 PolarHBondContact ND1-O 3.37Å; H340-A346 PolarHBondContact ND1-N 2.89Å
341	K	95.9	Very high	95.9	Very high	164 Å²	164	54 Å²	54	71%	0.713	28%	0.277	S	S	*	.	H	α-helix	trans	-58.4	-34.3	178.6	-71.8	176.2	-177.2	178.9	0	113.5	E337 A338 V339	E337-K341 WeakPolarHBondContact O-CG 3.49Å; E337-K341 PolarHBondContact O-N 3.42Å; A338-K341 PolarHBondContact O-N 2.82Å; V339-K341 VanDerWaalsContact C-N 3.34Å; V339-K341 PolarHBondContact O-N 3.18Å
342	Q	95	Very high	95.8	Very high	32 Å²	32	51.8 Å²	51.8	15%	0.15	26%	0.263	C	S	.	.	H	α-helix	trans	-90.4	-31.9	-179.8	-63.1	-165.7	33.1	0	0	114	H322 H323 I324 A338 V339 H340	H322-Q342 PolarHBondContact ND1-OE1 2.69Å; H323-Q342 PolarHBondContact O-NE2 2.77Å; I324-Q342 HydrophobicContact CD1-CG 4.33Å; A338-Q342 PolarHBondContact O-N 3.28Å; V339-Q342 PolarHBondContact O-N 2.56Å; H340-Q342 VanDerWaalsContact C-N 3.25Å; H340-Q342 PolarHBondContact O-N 3.48Å
343	T	94.6	Very high	95.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-104.4	-17.8	-172.2	64.6	0	0	0	0	113.5	Q318 V339 H340 V345 L381	Q318-T343 PolarHBondContact NE2-O 3.44Å; V339-T343 HydrophobicContact CG1-CG2 3.92Å; V339-T343 WeakPolarHBondContact O-CB 3.38Å; V339-T343 WeakPolarHBondContact O-CG2 3.26Å; V339-T343 PolarHBondContact O-N 2.8Å; V339-T343 PolarHBondContact O-OG1 3.04Å; H340-T343 PolarHBondContact O-N 3.2Å; T343-V345 PolarHBondContact O-N 2.91Å; T343-V345 WeakPolarHBondContact OG1-CB 3.47Å; T343-V345 PolarHBondContact OG1-N 2.96Å; T343-V345 VanDerWaalsContact OG1-N 3.14Å; T343-L381 HydrophobicContact CG2-CD2 3.98Å
344	S	94.6	Very high	95.7	Very high	90 Å²	90	51.3 Å²	51.3	63%	0.629	25%	0.252	S	S	*	.			trans	60.1	15.3	-166.6	-44.3	0	0	0	0	114.4	H340	H340-S344 WeakPolarHBondContact O-CA 3.33Å; H340-S344 PolarHBondContact O-N 2.93Å
345	V	94.7	Very high	95.4	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.067	26%	0.258	C	S	.	.			trans	-89.9	116.1	175.1	-177.1	0	0	0	0	108.7	H340 T343 H349 Q350 L381	H340-V345 WeakPolarHBondContact CA-O 3.5Å; H340-V345 WeakPolarHBondContact CB-O 3.36Å; H340-V345 PolarHBondContact ND1-O 3.37Å; T343-V345 PolarHBondContact O-N 2.91Å; T343-V345 WeakPolarHBondContact OG1-CB 3.47Å; T343-V345 PolarHBondContact OG1-N 2.96Å; T343-V345 VanDerWaalsContact OG1-N 3.14Å; V345-H349 HydrophobicContact CG1-CB 4.05Å; V345-Q350 HydrophobicContact CB-CG 4.32Å; V345-Q350 HydrophobicContact CG1-CG 3.79Å; V345-Q350 PolarHBondContact O-NE2 3.48Å; V345-L381 HydrophobicContact CB-CD2 4.45Å; V345-L381 HydrophobicContact CG2-CD2 4.36Å
346	A	94.6	Very high	95	Very high	27 Å²	27	53.9 Å²	53.9	22%	0.223	27%	0.269	C	S	.	.			trans	-63.7	145.9	-179.5	0	0	0	0	0	111.5	H340 R348 H349 Q350	H340-A346 PolarHBondContact ND1-N 2.89Å; A346-R348 VanDerWaalsContact C-N 3.26Å; A346-R348 HydrophobicContact CB-CG 4.26Å; A346-R348 PolarHBondContact O-N 2.93Å; A346-R348 VanDerWaalsContact O-N 3.09Å; A346-H349 PolarHBondContact O-N 3.28Å; A346-Q350 PolarHBondContact O-N 2.7Å
347	P	95.1	Very high	94.8	Very high	45 Å²	45	59.4 Å²	59.4	29%	0.292	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-47.6	-42.7	-176.9	-33.1	37.5	0	0	0	114.9	Q336 H349 Q350	Q336-P347 HydrophobicContact CB-CB 4.01Å; Q336-P347 HydrophobicContact CB-CG 4.15Å; P347-H349 PolarHBondContact O-N 3.33Å; P347-H349 VanDerWaalsContact O-N 3.09Å; P347-Q350 WeakPolarHBondContact O-CB 3.35Å; P347-Q350 PolarHBondContact O-N 3.35Å
348	R	92.9	Very high	94.6	Very high	213 Å²	213	60.8 Å²	60.8	80%	0.804	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-61.8	-15.9	177.2	61.4	173.2	176.1	-160.7	-3.9	115.8	A346	A346-R348 VanDerWaalsContact C-N 3.26Å; A346-R348 HydrophobicContact CB-CG 4.26Å; A346-R348 PolarHBondContact O-N 2.93Å; A346-R348 VanDerWaalsContact O-N 3.09Å
349	H	92.6	Very high	94.4	Very high	101 Å²	101	61.1 Å²	61.1	47%	0.468	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-111.2	7.3	178.8	-57	155.4	0	0	0	111.9	V345 A346 P347	V345-H349 HydrophobicContact CG1-CB 4.05Å; A346-H349 PolarHBondContact O-N 3.28Å; P347-H349 PolarHBondContact O-N 3.33Å; P347-H349 VanDerWaalsContact O-N 3.09Å
350	Q	94.7	Very high	94.2	Very high	15 Å²	15	65.9 Å²	65.9	7%	0.07	33%	0.333	C	S	.	.			trans	-88.8	115.6	178.8	-65.9	173.1	6.1	0	0	109.6	Q336 V345 A346 P347 Y352 L381	Q336-Q350 VanDerWaalsContact CA-OE1 3.3Å; Q336-Q350 VanDerWaalsContact CG-OE1 3.3Å; Q336-Q350 PolarHBondContact O-NE2 3.09Å; Q336-Q350 PolarHBondContact O-OE1 2.82Å; V345-Q350 HydrophobicContact CB-CG 4.32Å; V345-Q350 HydrophobicContact CG1-CG 3.79Å; V345-Q350 PolarHBondContact O-NE2 3.48Å; A346-Q350 PolarHBondContact O-N 2.7Å; P347-Q350 WeakPolarHBondContact O-CB 3.35Å; P347-Q350 PolarHBondContact O-N 3.35Å; Q350-Y352 HydrophobicContact CB-CE2 3.72Å; Q350-Y352 PolarHBondContact OE1-OH 3.45Å; Q350-L381 HydrophobicContact CB-CD1 3.76Å; Q350-L381 HydrophobicContact CG-CD1 3.98Å
351	E	94.1	Very high	94	Very high	68 Å²	68	63.9 Å²	63.9	32%	0.318	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.4	175.4	-63.9	-176.5	-148.4	0	0	109.7	L381 F382 R618	E351-L381 WeakPolarHBondContact O-CA 3.48Å; E351-F382 PolarHBondContact O-N 3.49Å; E351-R618 IonicContact OE1-CZ 3.3Å; E351-R618 VanDerWaalsContact OE1-CZ 3.3Å; E351-R618 IonicContact OE1-NH1 3.04Å; E351-R618 IonicContact OE1-NH2 2.63Å; E351-R618 PolarHBondContact OE1-NH2 2.97Å; E351-R618 IonicContact OE2-CZ 3.04Å; E351-R618 IonicContact OE2-NH1 3.24Å; E351-R618 PolarHBondContact OE2-NH1 3.34Å; E351-R618 IonicContact OE2-NH2 2.64Å; E351-R618 PolarHBondContact OE2-NH2 3.34Å
352	Y	96.3	Very high	94	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.2	-171.5	-63.6	-82.4	0	0	0	111.7	V313 F335 Q350 C359 L361 L379 T380 L381	V313-Y352 HydrophobicContact CG1-CE1 4.07Å; F335-Y352 HydrophobicContact CE1-CE1 4.25Å; F335-Y352 HydrophobicContact CE1-CE2 4.41Å; F335-Y352 AromaticContact CE1-CZ 3.87Å; F335-Y352 HydrophobicContact CZ-CE1 4.47Å; Q350-Y352 HydrophobicContact CB-CE2 3.72Å; Q350-Y352 PolarHBondContact OE1-OH 3.45Å; Y352-C359 PolarHBondContact O-N 2.65Å; Y352-L361 HydrophobicContact CD2-CD1 3.58Å; Y352-L361 HydrophobicContact CD2-CG 4.16Å; Y352-L361 HydrophobicContact CE2-CD1 3.77Å; Y352-L361 HydrophobicContact CG-CD1 4.04Å; Y352-L379 HydrophobicContact CD1-CB 4.09Å; Y352-L379 HydrophobicContact CD1-CD1 4.44Å; Y352-T380 CarbonylContact C-O 3.57Å; Y352-T380 WeakPolarHBondContact CA-O 3.44Å; Y352-L381 HydrophobicContact CD1-CB 4.25Å; Y352-L381 HydrophobicContact CD1-CD1 4.33Å; Y352-L381 HydrophobicContact CE1-CB 4.05Å; Y352-L381 HydrophobicContact CE1-CD1 3.91Å; Y352-L381 HydrophobicContact CE1-CG 4.47Å
353	L	96	Very high	93.9	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.042	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.4	163.9	-62	90.7	0	0	0	109.4	H357 T380 F382 W445 V446 V449	L353-H357 CarbonylContact C-O 3.58Å; L353-H357 WeakPolarHBondContact CA-O 3.37Å; L353-T380 PolarHBondContact N-O 3.08Å; L353-T380 PolarHBondContact O-N 3.15Å; L353-F382 HydrophobicContact CD1-CB 4.22Å; L353-W445 HydrophobicContact CB-CE3 4.41Å; L353-W445 HydrophobicContact CD2-CB 3.94Å; L353-V446 HydrophobicContact CD1-CG2 4.04Å; L353-V446 HydrophobicContact CD2-CG2 4.32Å; L353-V449 HydrophobicContact CD2-CG2 3.92Å
354	F	96.3	Very high	94	Very high	32 Å²	32	67.4 Å²	67.4	14%	0.14	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	126.3	171.4	-170.4	-111.2	0	0	0	109.1	G356 H357 C359 A371 H372 T373 L379	F354-G356 PolarHBondContact O-N 3.4Å; F354-G356 VanDerWaalsContact O-N 3.1Å; F354-H357 PolarHBondContact N-O 3.27Å; F354-H357 PolarHBondContact O-N 3.46Å; F354-C359 HydrophobicContact CB-CB 4.28Å; F354-A371 HydrophobicContact CD1-CB 3.68Å; F354-A371 HydrophobicContact CE1-CB 3.47Å; F354-A371 VanDerWaalsContact CE1-CB 3.47Å; F354-A371 HydrophobicContact CE2-CB 4.33Å; F354-A371 HydrophobicContact CG-CB 4.2Å; F354-A371 HydrophobicContact CZ-CB 3.82Å; F354-H372 WeakPolarHBondContact CZ-O 3.26Å; F354-T373 HydrophobicContact CE2-CG2 4.03Å; F354-L379 HydrophobicContact CB-CD2 3.8Å; F354-L379 HydrophobicContact CD2-CD2 3.81Å; F354-L379 HydrophobicContact CG-CD2 4.05Å
355	E	92.6	Very high	94	Very high	115 Å²	115	65.7 Å²	65.7	54%	0.537	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	42	179.9	-60.8	-170.9	153	0	0	113.6	H357	E355-H357 VanDerWaalsContact C-N 3.33Å; E355-H357 PolarHBondContact O-CE1 3.04Å; E355-H357 PolarHBondContact O-N 2.87Å; E355-H357 PolarHBondContact O-ND1 3.24Å
356	G	89.7	Confident	94.1	Very high	22 Å²	22	66.3 Å²	66.3	23%	0.227	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-3	178.8	0	0	0	0	0	116.1	F354 W445	F354-G356 PolarHBondContact O-N 3.4Å; F354-G356 VanDerWaalsContact O-N 3.1Å; G356-W445 VanDerWaalsContact N-CE2 3.33Å
357	H	92.6	Very high	94.1	Very high	138 Å²	138	65.2 Å²	65.2	64%	0.639	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.6	-177.4	-58.6	86	0	0	0	111.5	L353 F354 E355 C359	L353-H357 CarbonylContact C-O 3.58Å; L353-H357 WeakPolarHBondContact CA-O 3.37Å; F354-H357 PolarHBondContact N-O 3.27Å; F354-H357 PolarHBondContact O-N 3.46Å; E355-H357 VanDerWaalsContact C-N 3.33Å; E355-H357 PolarHBondContact O-CE1 3.04Å; E355-H357 PolarHBondContact O-N 2.87Å; E355-H357 PolarHBondContact O-ND1 3.24Å; H357-C359 PolarHBondContact O-N 3.17Å
358	L	92.5	Very high	94.1	Very high	106 Å²	106	68.8 Å²	68.8	56%	0.555	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	124.5	171.9	-173.1	73.1	0	0	0	109.2	V360	L358-V360 HydrophobicContact CD2-CG2 4.18Å; L358-V360 HydrophobicContact CG-CG2 4.39Å
359	C	93.6	Very high	94.1	Very high	32 Å²	32	64.4 Å²	64.4	22%	0.216	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	101.4	179.1	-172.7	0	0	0	0	108.7	Y352 F354 H357 L361	Y352-C359 PolarHBondContact O-N 2.65Å; F354-C359 HydrophobicContact CB-CB 4.28Å; H357-C359 PolarHBondContact O-N 3.17Å; C359-L361 PolarHBondContact O-N 3.13Å; C359-L361 VanDerWaalsContact SG-CD2 3.55Å
360	V	92.9	Very high	94.2	Very high	99 Å²	99	60.4 Å²	60.4	60%	0.6	32%	0.324	S	S	*	.			trans	-83.1	115.9	175.7	-177.4	0	0	0	0	108.2	L358	L358-V360 HydrophobicContact CD2-CG2 4.18Å; L358-V360 HydrophobicContact CG-CG2 4.39Å
361	L	93.7	Very high	94	Very high	20 Å²	20	61.3 Å²	61.3	11%	0.105	33%	0.334	C	S	.	.			trans	-102.7	102.7	-179.4	-63.7	-175.2	0	0	0	109.3	I332 F335 Y352 C359 I370	I332-L361 HydrophobicContact CD1-CB 4.05Å; I332-L361 HydrophobicContact CD1-CD2 4.18Å; I332-L361 HydrophobicContact CG2-CB 3.63Å; F335-L361 HydrophobicContact CD1-CD1 4.13Å; F335-L361 HydrophobicContact CE1-CD1 3.7Å; Y352-L361 HydrophobicContact CD2-CD1 3.58Å; Y352-L361 HydrophobicContact CD2-CG 4.16Å; Y352-L361 HydrophobicContact CE2-CD1 3.77Å; Y352-L361 HydrophobicContact CG-CD1 4.04Å; C359-L361 PolarHBondContact O-N 3.13Å; C359-L361 VanDerWaalsContact SG-CD2 3.55Å; L361-I370 HydrophobicContact CD2-CG1 4.47Å
362	E	94.2	Very high	94.1	Very high	108 Å²	108	65.7 Å²	65.7	51%	0.505	35%	0.354	S	S	.	.			trans	-71.9	120.2	-179.8	-72.4	-60.3	152.6	0	0	111.7	I332 S364 V365	I332-E362 WeakPolarHBondContact CB-O 3.44Å; I332-E362 WeakPolarHBondContact CD1-O 3.37Å; E362-S364 PolarHBondContact O-N 3.2Å; E362-V365 HydrophobicContact CB-CB 4.37Å; E362-V365 HydrophobicContact CB-CG2 3.79Å; E362-V365 PolarHBondContact O-N 2.95Å
363	P	94.6	Very high	94.1	Very high	61 Å²	61	66 Å²	66	40%	0.396	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.1	-169.3	-28.2	35.2	0	0	0	116.1	T331 A333	T331-P363 WeakPolarHBondContact CB-O 3.5Å; A333-P363 HydrophobicContact CB-CB 4.15Å; A333-P363 PolarHBondContact N-O 3.12Å; A333-P363 VanDerWaalsContact N-O 3.08Å
364	S	94.9	Very high	94.1	Very high	101 Å²	101	67.8 Å²	67.8	71%	0.706	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-13.6	-178.7	55.4	0	0	0	0	113.9	E362	E362-S364 PolarHBondContact O-N 3.2Å
365	V	96.1	Very high	94.1	Very high	53 Å²	53	68.5 Å²	68.5	32%	0.321	38%	0.38	S	S	.	.	S	Bend	trans	-83.3	148.4	-176.2	174.8	0	0	0	0	110.6	T331 I332 E362 H369	T331-V365 CarbonylContact C-O 3.52Å; T331-V365 WeakPolarHBondContact CA-O 3.19Å; I332-V365 HydrophobicContact CD1-CB 4.07Å; I332-V365 HydrophobicContact CD1-CG1 4.35Å; I332-V365 WeakPolarHBondContact CG1-O 3.47Å; I332-V365 PolarHBondContact N-O 3.33Å; E362-V365 HydrophobicContact CB-CB 4.37Å; E362-V365 HydrophobicContact CB-CG2 3.79Å; E362-V365 PolarHBondContact O-N 2.95Å; V365-H369 HydrophobicContact CG1-CB 4.11Å; V365-H369 WeakPolarHBondContact CG1-ND1 3.43Å
366	S	96.4	Very high	94.2	Very high	25 Å²	25	67.2 Å²	67.2	18%	0.175	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-68	142.7	177.8	-163.6	0	0	0	0	112.3	A328 H329 N330 Q368 H369	A328-S366 PolarHBondContact O-OG 3.5Å; H329-S366 WeakPolarHBondContact CA-OG 3.36Å; N330-S366 CarbonylContact O-C 3.53Å; N330-S366 WeakPolarHBondContact O-CA 3.42Å; S366-Q368 PolarHBondContact O-N 2.92Å; S366-H369 PolarHBondContact O-N 3.47Å; S366-H369 VanDerWaalsContact O-N 3.14Å; S366-H369 PolarHBondContact O-ND1 3Å
367	A	94.7	Very high	94.5	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.033	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-64	-21.5	-178.9	0	0	0	0	0	113.6	I326 A328 N330 H369 I370	I326-A367 HydrophobicContact CD1-CB 3.94Å; I326-A367 HydrophobicContact CG2-CB 4.46Å; A328-A367 PolarHBondContact O-N 3Å; N330-A367 VanDerWaalsContact O-CB 3.3Å; N330-A367 WeakPolarHBondContact O-CB 3.34Å; N330-A367 PolarHBondContact O-N 2.88Å; A367-H369 PolarHBondContact O-N 3.39Å; A367-H369 VanDerWaalsContact O-N 3.11Å; A367-I370 HydrophobicContact CB-CD1 3.96Å; A367-I370 VanDerWaalsContact O-CB 3.23Å; A367-I370 WeakPolarHBondContact O-CB 3.44Å; A367-I370 VanDerWaalsContact O-CG1 3.27Å; A367-I370 WeakPolarHBondContact O-CG1 3.35Å; A367-I370 PolarHBondContact O-N 2.93Å
368	Q	94.2	Very high	94.8	Very high	120 Å²	120	60.7 Å²	60.7	56%	0.561	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-56.6	-22.7	171.8	73.6	-174	15	0	0	113.9	A328 S366 I370	A328-Q368 HydrophobicContact CB-CB 4.08Å; A328-Q368 WeakPolarHBondContact O-CB 3.28Å; A328-Q368 PolarHBondContact O-N 3.49Å; S366-Q368 PolarHBondContact O-N 2.92Å; Q368-I370 VanDerWaalsContact C-N 3.32Å
369	H	93.5	Very high	95	Very high	121 Å²	121	55.6 Å²	55.6	56%	0.56	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-88.6	-1.6	178.1	-51.2	105.9	0	0	0	112.7	V365 S366 A367	V365-H369 HydrophobicContact CG1-CB 4.11Å; V365-H369 WeakPolarHBondContact CG1-ND1 3.43Å; S366-H369 PolarHBondContact O-N 3.47Å; S366-H369 VanDerWaalsContact O-N 3.14Å; S366-H369 PolarHBondContact O-ND1 3Å; A367-H369 PolarHBondContact O-N 3.39Å; A367-H369 VanDerWaalsContact O-N 3.11Å
370	I	94.3	Very high	95.2	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.082	31%	0.314	C	S	.	.	S	Bend	trans	-66.1	134.6	168.8	-62	171.7	0	0	0	107.5	V311 I332 F335 L361 A367 Q368 L379	V311-I370 HydrophobicContact CG1-CG2 4.02Å; V311-I370 HydrophobicContact CG2-CD1 4.47Å; V311-I370 HydrophobicContact CG2-CG2 4.43Å; I332-I370 HydrophobicContact CG1-CD1 4.38Å; I332-I370 HydrophobicContact CG1-CG1 4.34Å; F335-I370 HydrophobicContact CB-CD1 4.33Å; F335-I370 HydrophobicContact CD1-CD1 4.03Å; F335-I370 HydrophobicContact CD2-CD1 4.05Å; F335-I370 HydrophobicContact CE1-CD1 4.35Å; F335-I370 HydrophobicContact CE2-CD1 4.38Å; F335-I370 HydrophobicContact CG-CD1 3.86Å; L361-I370 HydrophobicContact CD2-CG1 4.47Å; A367-I370 HydrophobicContact CB-CD1 3.96Å; A367-I370 VanDerWaalsContact O-CB 3.23Å; A367-I370 WeakPolarHBondContact O-CB 3.44Å; A367-I370 VanDerWaalsContact O-CG1 3.27Å; A367-I370 WeakPolarHBondContact O-CG1 3.35Å; A367-I370 PolarHBondContact O-N 2.93Å; Q368-I370 VanDerWaalsContact C-N 3.32Å; I370-L379 HydrophobicContact CG2-CD1 3.81Å
371	A	92	Very high	95.4	Very high	34 Å²	34	49.5 Å²	49.5	28%	0.281	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-53.9	145.5	178	0	0	0	0	0	111.3	F354 T373	F354-A371 HydrophobicContact CD1-CB 3.68Å; F354-A371 HydrophobicContact CE1-CB 3.47Å; F354-A371 VanDerWaalsContact CE1-CB 3.47Å; F354-A371 HydrophobicContact CE2-CB 4.33Å; F354-A371 HydrophobicContact CG-CB 4.2Å; F354-A371 HydrophobicContact CZ-CB 3.82Å; A371-T373 WeakPolarHBondContact O-CG2 3.42Å; A371-T373 PolarHBondContact O-N 3.44Å
372	H	94.2	Very high	95.4	Very high	161 Å²	161	48.8 Å²	48.8	75%	0.745	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-63.2	124.7	175.7	179	-80.5	0	0	0	109.8	F354	F354-H372 WeakPolarHBondContact CZ-O 3.26Å
373	T	97.2	Very high	95.1	Very high	9 Å²	9	44 Å²	44	6%	0.055	26%	0.259	C	S	.	.			trans	-116.8	154.6	-176.5	58.2	0	0	0	0	111.6	V311 H312 F354 A371 S377 L379	V311-T373 HydrophobicContact CG1-CG2 4.28Å; H312-T373 PolarHBondContact N-OG1 2.92Å; H312-T373 PolarHBondContact ND1-O 3.49Å; H312-T373 VanDerWaalsContact ND1-O 3.14Å; H312-T373 PolarHBondContact ND1-OG1 3.29Å; F354-T373 HydrophobicContact CE2-CG2 4.03Å; A371-T373 WeakPolarHBondContact O-CG2 3.42Å; A371-T373 PolarHBondContact O-N 3.44Å; T373-S377 WeakPolarHBondContact CA-O 3.24Å; T373-L379 HydrophobicContact CG2-CG 3.88Å
374	T	96.8	Very high	94.4	Very high	47 Å²	47	46.6 Å²	46.6	29%	0.288	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-132	168.4	169.6	66.1	0	0	0	0	109.7	H312 S376 S377 P378	H312-T374 WeakPolarHBondContact CB-O 3.36Å; H312-T374 WeakPolarHBondContact ND1-CA 2.98Å; T374-S376 PolarHBondContact O-N 2.97Å; T374-S376 PolarHBondContact OG1-N 2.9Å; T374-S376 PolarHBondContact OG1-OG 3.5Å; T374-S376 VanDerWaalsContact OG1-OG 3.06Å; T374-S377 PolarHBondContact N-O 3.36Å; T374-S377 VanDerWaalsContact N-O 3.1Å; T374-S377 CarbonylContact O-C 3.58Å; T374-S377 PolarHBondContact O-N 3.11Å; T374-S377 PolarHBondContact OG1-N 2.92Å; T374-P378 VanDerWaalsContact O-N 3.13Å
375	A	95.1	Very high	93.6	Very high	47 Å²	47	43.2 Å²	43.2	39%	0.388	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-33	172.5	0	0	0	0	0	112.7	H312 L321	H312-A375 PolarHBondContact CD2-N 3.3Å; L321-A375 HydrophobicContact CD2-CB 3.79Å
376	S	95.2	Very high	92.6	Very high	87 Å²	87	47.3 Å²	47.3	61%	0.608	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.4	176.6	61	0	0	0	0	114	T374 R441	T374-S376 PolarHBondContact O-N 2.97Å; T374-S376 PolarHBondContact OG1-N 2.9Å; T374-S376 PolarHBondContact OG1-OG 3.5Å; T374-S376 VanDerWaalsContact OG1-OG 3.06Å; S376-R441 PolarHBondContact O-NH1 3.21Å; S376-R441 PolarHBondContact O-NH2 3.04Å
377	S	96.4	Very high	92	Very high	23 Å²	23	47.7 Å²	47.7	16%	0.161	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-137.3	72.7	172.8	-160.2	0	0	0	0	110.7	T373 T374	T373-S377 WeakPolarHBondContact CA-O 3.24Å; T374-S377 PolarHBondContact N-O 3.36Å; T374-S377 VanDerWaalsContact N-O 3.1Å; T374-S377 CarbonylContact O-C 3.58Å; T374-S377 PolarHBondContact O-N 3.11Å; T374-S377 PolarHBondContact OG1-N 2.92Å
378	P	97.9	Very high	91.6	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.			trans	-87.2	162.4	-179	35.2	-34	0	0	0	112	H312 F314 L321 T374 T380 L438	H312-P378 HydrophobicContact CB-CB 3.86Å; H312-P378 WeakPolarHBondContact O-CA 3.49Å; H312-P378 WeakPolarHBondContact O-CB 3.17Å; F314-P378 HydrophobicContact CB-CB 4.09Å; F314-P378 HydrophobicContact CB-CG 3.6Å; L321-P378 HydrophobicContact CD1-CB 3.77Å; L321-P378 HydrophobicContact CD1-CG 4.04Å; T374-P378 VanDerWaalsContact O-N 3.13Å; P378-T380 PolarHBondContact O-N 3.13Å; P378-L438 HydrophobicContact CG-CD1 4.4Å; P378-L438 HydrophobicContact CG-CD2 3.91Å
379	L	97.9	Very high	91.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	123.1	159.8	-71.4	175.1	0	0	0	108.9	V311 H312 V313 F314 F335 Y352 F354 I370 T373	V311-L379 HydrophobicContact CG1-CD1 3.82Å; H312-L379 PolarHBondContact O-N 2.89Å; V313-L379 CarbonylContact C-O 3.55Å; V313-L379 WeakPolarHBondContact CA-O 3.5Å; V313-L379 HydrophobicContact CG2-CB 4.36Å; F314-L379 PolarHBondContact N-O 2.81Å; F335-L379 HydrophobicContact CE1-CD1 4.38Å; F335-L379 HydrophobicContact CZ-CD1 3.94Å; Y352-L379 HydrophobicContact CD1-CB 4.09Å; Y352-L379 HydrophobicContact CD1-CD1 4.44Å; F354-L379 HydrophobicContact CB-CD2 3.8Å; F354-L379 HydrophobicContact CD2-CD2 3.81Å; F354-L379 HydrophobicContact CG-CD2 4.05Å; I370-L379 HydrophobicContact CG2-CD1 3.81Å; T373-L379 HydrophobicContact CG2-CG 3.88Å
380	T	97.6	Very high	91.3	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	111.6	177.3	-60.9	0	0	0	0	109.3	F314 L316 Y352 L353 P378	F314-T380 CarbonylContact O-C 3.18Å; L316-T380 HydrophobicContact CB-CG2 3.92Å; L316-T380 HydrophobicContact CD2-CG2 4.18Å; L316-T380 HydrophobicContact CG-CG2 4.45Å; Y352-T380 CarbonylContact C-O 3.57Å; Y352-T380 WeakPolarHBondContact CA-O 3.44Å; L353-T380 PolarHBondContact N-O 3.08Å; L353-T380 PolarHBondContact O-N 3.15Å; P378-T380 PolarHBondContact O-N 3.13Å
381	L	96.8	Very high	91.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	115.7	175.9	171.7	65.4	0	0	0	110	V313 F314 L316 V339 T343 V345 Q350 E351 Y352	V313-L381 HydrophobicContact CG1-CB 3.82Å; V313-L381 HydrophobicContact CG1-CD2 4.43Å; F314-L381 PolarHBondContact O-N 3.26Å; L316-L381 WeakPolarHBondContact CB-O 3.39Å; L316-L381 PolarHBondContact N-O 2.86Å; V339-L381 HydrophobicContact CG1-CD2 3.81Å; T343-L381 HydrophobicContact CG2-CD2 3.98Å; V345-L381 HydrophobicContact CB-CD2 4.45Å; V345-L381 HydrophobicContact CG2-CD2 4.36Å; Q350-L381 HydrophobicContact CB-CD1 3.76Å; Q350-L381 HydrophobicContact CG-CD1 3.98Å; E351-L381 WeakPolarHBondContact O-CA 3.48Å; Y352-L381 HydrophobicContact CD1-CB 4.25Å; Y352-L381 HydrophobicContact CD1-CD1 4.33Å; Y352-L381 HydrophobicContact CE1-CB 4.05Å; Y352-L381 HydrophobicContact CE1-CD1 3.91Å; Y352-L381 HydrophobicContact CE1-CG 4.47Å
382	F	93.6	Very high	91.3	Very high	6 Å²	6	49.7 Å²	49.7	3%	0.026	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.1	172.9	-174.7	-100.2	0	0	0	110.4	L316 E351 L353 V446 M611 V614 H615	L316-F382 HydrophobicContact CD2-CD2 4.14Å; E351-F382 PolarHBondContact O-N 3.49Å; L353-F382 HydrophobicContact CD1-CB 4.22Å; F382-V446 HydrophobicContact CD2-CG1 4.14Å; F382-V446 HydrophobicContact CD2-CG2 3.69Å; F382-V446 HydrophobicContact CE2-CG1 3.76Å; F382-V446 HydrophobicContact CE2-CG2 4.11Å; F382-V446 HydrophobicContact CG-CG2 4.33Å; F382-V446 HydrophobicContact CZ-CG1 4.16Å; F382-M611 HydrophobicContact CD2-CE 3.94Å; F382-M611 HydrophobicContact CE2-CE 3.56Å; F382-M611 HydrophobicContact CE2-SD 4.4Å; F382-M611 HydrophobicContact CZ-CE 4.47Å; F382-V614 HydrophobicContact CE2-CG1 3.93Å; F382-V614 HydrophobicContact CZ-CG1 4.01Å; F382-H615 AromaticContact CE1-CE1 3.46Å; F382-H615 VanDerWaalsContact CE1-CE1 3.46Å; F382-H615 WeakPolarHBondContact CE1-CE1 3.37Å; F382-H615 AromaticContact CE1-ND1 3.59Å; F382-H615 AromaticContact CE2-CE1 3.66Å; F382-H615 AromaticContact CZ-CE1 3.12Å; F382-H615 WeakPolarHBondContact CZ-CE1 3.38Å; F382-H615 AromaticContact CZ-ND1 3.24Å; F382-H615 WeakPolarHBondContact CZ-ND1 3.37Å
383	S	88.1	Confident	91.3	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.042	27%	0.272	C	S	.	.			trans	-149	176.5	179.6	73.4	0	0	0	0	111.5	S317 A385 H615	S317-S383 VanDerWaalsContact CB-O 3.31Å; S317-S383 WeakPolarHBondContact CB-O 3.23Å; S317-S383 VanDerWaalsContact OG-C 3.26Å; S317-S383 PolarHBondContact OG-N 3.37Å; S317-S383 VanDerWaalsContact OG-N 3.11Å; S317-S383 PolarHBondContact OG-O 3.22Å; S317-S383 PolarHBondContact OG-OG 3.23Å; S383-A385 VanDerWaalsContact C-N 3.33Å; S383-A385 PolarHBondContact O-N 3.46Å; S383-A385 PolarHBondContact OG-N 2.86Å; S383-H615 PolarHBondContact O-CE1 2.92Å; S383-H615 PolarHBondContact O-NE2 2.97Å
384	T	79.4	Confident	91	Very high	116 Å²	116	48.3 Å²	48.3	71%	0.712	28%	0.28	S	S	*	.	S	Bend	trans	-90.8	15.8	177.4	58	0	0	0	0	114.2
385	A	77.8	Confident	90.8	Very high	30 Å²	30	46.3 Å²	46.3	25%	0.248	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-70.7	155	-177.5	0	0	0	0	0	112.9	S317 Q318 S383	S317-A385 WeakPolarHBondContact CB-O 3.34Å; Q318-A385 HydrophobicContact CG-CB 3.74Å; S383-A385 VanDerWaalsContact C-N 3.33Å; S383-A385 PolarHBondContact O-N 3.46Å; S383-A385 PolarHBondContact OG-N 2.86Å
386	I	76.6	Confident	90.4	Very high	139 Å²	139	46.1 Å²	46.1	71%	0.713	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-79.5	141.5	177.5	-59	173.6	0	0	0	109.9	S317 K388	S317-I386 CarbonylContact O-C 3.58Å; I386-K388 PolarHBondContact O-N 3.42Å
387	P	82	Confident	90	Very high	34 Å²	34	47.8 Å²	47.8	22%	0.221	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-58	122.9	173.1	-22.2	31.1	0	0	0	111.9	S317 L604	S317-P387 WeakPolarHBondContact O-CA 3.45Å; S317-P387 WeakPolarHBondContact O-CD 3.14Å; S317-P387 WeakPolarHBondContact O-CG 3.35Å; P387-L604 HydrophobicContact CB-CD1 3.68Å; P387-L604 HydrophobicContact CB-CG 4.06Å
388	K	87.7	Confident	88.9	Confident	137 Å²	137	51.4 Å²	51.4	60%	0.596	29%	0.285	S	S	*	.			trans	-100.6	-39	173.9	-63.4	-179.4	-175.3	174.5	0	110.6	Q318 I386	Q318-K388 PolarHBondContact O-N 2.9Å; I386-K388 PolarHBondContact O-N 3.42Å
389	G	90.3	Very high	88.3	Confident	6 Å²	6	53 Å²	53	6%	0.062	30%	0.295	C	S	.	.			trans	70.6	175.8	-170.6	0	0	0	0	0	113.1	Q318 V320 A391 Y600	Q318-G389 PolarHBondContact O-N 3.23Å; V320-G389 WeakPolarHBondContact CG2-O 3.44Å; G389-A391 PolarHBondContact O-N 3.1Å; G389-Y600 WeakPolarHBondContact CA-OH 3.41Å
390	L	91.3	Very high	87.9	Confident	64 Å²	64	55.4 Å²	55.4	34%	0.335	31%	0.31	S	S	.	.			trans	-65.1	124.1	176.9	-175.7	66.1	0	0	0	111	F392 L428 A431 L432 Y600	L390-F392 WeakPolarHBondContact O-CD1 3.36Å; L390-L428 HydrophobicContact CD2-CD2 4.33Å; L390-A431 HydrophobicContact CD2-CB 3.78Å; L390-L432 HydrophobicContact CB-CD2 4.16Å; L390-L432 HydrophobicContact CD2-CD2 4.04Å; L390-Y600 PolarHBondContact N-OH 3.25Å; L390-Y600 VanDerWaalsContact N-OH 3.16Å
391	A	92.4	Very high	87.5	Confident	78 Å²	78	64.1 Å²	64.1	65%	0.645	35%	0.348	S	S	*	.			trans	-84.3	129.2	171.3	0	0	0	0	0	110.2	I265 G389	I265-A391 HydrophobicContact CD1-CB 4.38Å; G389-A391 PolarHBondContact O-N 3.1Å
392	F	93.9	Very high	87.3	Confident	51 Å²	51	65.7 Å²	65.7	22%	0.224	36%	0.355	C	S	.	.			trans	-152	160.1	177.2	63.9	-87.2	0	0	0	111.5	L390 L428 L432 F592 V597	L390-F392 WeakPolarHBondContact O-CD1 3.36Å; F392-L428 HydrophobicContact CB-CD1 4.05Å; F392-L428 HydrophobicContact CB-CD2 3.57Å; F392-L428 HydrophobicContact CB-CG 4.46Å; F392-L428 HydrophobicContact CD2-CD1 3.72Å; F392-L428 HydrophobicContact CD2-CD2 4.47Å; F392-L428 HydrophobicContact CG-CD1 4.08Å; F392-L428 HydrophobicContact CG-CD2 4Å; F392-L432 HydrophobicContact CE1-CD1 4.4Å; F392-L432 HydrophobicContact CE1-CD2 4.04Å; F392-L432 HydrophobicContact CZ-CD1 4.47Å; F392-F592 HydrophobicContact CD2-CZ 4.49Å; F392-F592 HydrophobicContact CE2-CE1 4.26Å; F392-F592 AromaticContact CE2-CZ 3.92Å; F392-F592 HydrophobicContact CE2-CZ 3.92Å; F392-F592 HydrophobicContact CZ-CZ 4.47Å; F392-V597 HydrophobicContact CE2-CG2 4.17Å; F392-V597 HydrophobicContact CZ-CG1 4.07Å; F392-V597 HydrophobicContact CZ-CG2 3.76Å
393	R	92.9	Very high	87.2	Confident	99 Å²	99	69.9 Å²	69.9	37%	0.374	38%	0.381	S	S	.	.			trans	-91.6	131.9	169.1	-179.4	175.8	-177.6	158.2	2.4	109.3	I265 T266 P395 D398	I265-R393 HydrophobicContact CG2-CB 3.74Å; T266-R393 HydrophobicContact CG2-CB 4.34Å; R393-P395 VanDerWaalsContact O-CD 3.3Å; R393-P395 WeakPolarHBondContact O-CD 3.28Å; R393-D398 IonicContact CZ-OD2 3.13Å; R393-D398 IonicContact NE-OD2 2.87Å; R393-D398 PolarHBondContact NE-OD2 2.87Å; R393-D398 IonicContact NH2-OD1 3.77Å; R393-D398 PolarHBondContact NH2-OD1 3.28Å; R393-D398 IonicContact NH2-OD2 3.09Å; R393-D398 PolarHBondContact NH2-OD2 2.86Å
394	D	92.1	Very high	87.3	Confident	42 Å²	42	75.4 Å²	75.4	23%	0.225	42%	0.417	C	S	.	.			trans	-60.5	118.1	177.7	-179.9	-0.7	0	0	0	110.9	A396 L397 Q593	D394-A396 PolarHBondContact O-N 2.99Å; D394-A396 VanDerWaalsContact O-N 3.13Å; D394-A396 VanDerWaalsContact OD1-CB 3.31Å; D394-A396 WeakPolarHBondContact OD1-CB 3.19Å; D394-A396 PolarHBondContact OD1-N 2.7Å; D394-L397 HydrophobicContact CB-CD1 3.95Å; D394-L397 HydrophobicContact CB-CG 3.99Å; D394-L397 PolarHBondContact O-N 3.37Å; D394-Q593 PolarHBondContact OD1-NE2 3.29Å; D394-Q593 PolarHBondContact OD2-NE2 2.67Å
395	P	91.8	Very high	87.9	Confident	6 Å²	6	77.7 Å²	77.7	4%	0.039	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.8	178	-23.6	35.1	0	0	0	114.2	R393 L397 V399 A421 Q424 A425 L428 L589 F592	R393-P395 VanDerWaalsContact O-CD 3.3Å; R393-P395 WeakPolarHBondContact O-CD 3.28Å; P395-L397 VanDerWaalsContact C-N 3.34Å; P395-L397 PolarHBondContact O-N 2.66Å; P395-V399 WeakPolarHBondContact O-CG2 3.29Å; P395-A421 HydrophobicContact CB-CB 4.43Å; P395-Q424 HydrophobicContact CG-CB 4.43Å; P395-Q424 HydrophobicContact CG-CG 4.23Å; P395-A425 HydrophobicContact CB-CB 4.24Å; P395-A425 HydrophobicContact CG-CB 4.01Å; P395-L428 HydrophobicContact CG-CD1 3.81Å; P395-L589 HydrophobicContact CB-CD2 4.21Å; P395-F592 HydrophobicContact CG-CE1 4.08Å; P395-F592 HydrophobicContact CG-CZ 4.39Å
396	A	87.3	Confident	88.6	Confident	42 Å²	42	77.8 Å²	77.8	35%	0.347	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-20.2	-178.5	0	0	0	0	0	114	D394 D398 L589	D394-A396 PolarHBondContact O-N 2.99Å; D394-A396 VanDerWaalsContact O-N 3.13Å; D394-A396 VanDerWaalsContact OD1-CB 3.31Å; D394-A396 WeakPolarHBondContact OD1-CB 3.19Å; D394-A396 PolarHBondContact OD1-N 2.7Å; A396-D398 PolarHBondContact O-N 2.76Å; A396-L589 HydrophobicContact CB-CD1 4.34Å; A396-L589 HydrophobicContact CB-CD2 4.36Å
397	L	86.1	Confident	89.5	Confident	122 Å²	122	75.1 Å²	75.1	64%	0.639	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.1	-171.7	-69.8	172.8	0	0	0	113.9	D394 P395	D394-L397 HydrophobicContact CB-CD1 3.95Å; D394-L397 HydrophobicContact CB-CG 3.99Å; D394-L397 PolarHBondContact O-N 3.37Å; P395-L397 VanDerWaalsContact C-N 3.34Å; P395-L397 PolarHBondContact O-N 2.66Å
398	D	72.6	Confident	90.1	Very high	99 Å²	99	74.3 Å²	74.3	53%	0.529	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	22.8	-169.1	-56.5	-75.4	0	0	0	113	R393 A396 P400	R393-D398 IonicContact CZ-OD2 3.13Å; R393-D398 IonicContact NE-OD2 2.87Å; R393-D398 PolarHBondContact NE-OD2 2.87Å; R393-D398 IonicContact NH2-OD1 3.77Å; R393-D398 PolarHBondContact NH2-OD1 3.28Å; R393-D398 IonicContact NH2-OD2 3.09Å; R393-D398 PolarHBondContact NH2-OD2 2.86Å; A396-D398 PolarHBondContact O-N 2.76Å; D398-P400 WeakPolarHBondContact O-CD 3.18Å
399	V	86.1	Confident	90.3	Very high	33 Å²	33	71.2 Å²	71.2	20%	0.2	38%	0.383	C	S	.	.			trans	-73.2	120.4	-177	-176.9	0	0	0	0	110.3	P395 V418 A421 L589	P395-V399 WeakPolarHBondContact O-CG2 3.29Å; V399-V418 HydrophobicContact CG1-CB 4.28Å; V399-V418 HydrophobicContact CG1-CG1 4.05Å; V399-V418 HydrophobicContact CG1-CG2 3.78Å; V399-A421 HydrophobicContact CG2-CB 4Å; V399-L589 HydrophobicContact CG2-CD1 3.83Å
400	P	89.1	Confident	90.4	Very high	51 Å²	51	72.8 Å²	72.8	33%	0.331	40%	0.395	S	S	.	.			trans	-68.6	148.5	178.4	28.6	-32.6	0	0	0	110.6	D398 T414 V418	D398-P400 WeakPolarHBondContact O-CD 3.18Å; P400-T414 HydrophobicContact CB-CG2 4.22Å; P400-T414 HydrophobicContact CG-CG2 4.37Å; P400-V418 HydrophobicContact CG-CG2 3.94Å; P400-V418 VanDerWaalsContact O-CG2 3.28Å; P400-V418 WeakPolarHBondContact O-CG2 3.4Å
401	K	90.4	Very high	90.6	Very high	186 Å²	186	69.9 Å²	69.9	81%	0.809	38%	0.38	S	S	*	.			trans	-107.6	139.9	-178.8	-64.4	-179.2	-176.7	174.5	0	110.5
402	F	92.3	Very high	90.7	Very high	33 Å²	33	66.8 Å²	66.8	15%	0.145	35%	0.352	C	S	.	.			trans	-65.1	138.4	172	-72.8	-84.3	0	0	0	110.9	D411 T414 A415 F557 K578 F581 S582	F402-D411 HydrophobicContact CD1-CB 4.35Å; F402-D411 HydrophobicContact CE1-CB 4.15Å; F402-D411 WeakPolarHBondContact CE1-O 3.34Å; F402-T414 HydrophobicContact CD1-CG2 3.85Å; F402-T414 HydrophobicContact CD2-CG2 3.97Å; F402-T414 HydrophobicContact CE1-CG2 3.95Å; F402-T414 HydrophobicContact CE2-CG2 4.03Å; F402-T414 HydrophobicContact CG-CG2 3.89Å; F402-T414 HydrophobicContact CZ-CG2 4.04Å; F402-A415 HydrophobicContact CE1-CB 4.41Å; F402-A415 HydrophobicContact CZ-CB 3.92Å; F402-F557 AromaticContact CE1-CE2 3.93Å; F402-F557 HydrophobicContact CE1-CE2 3.93Å; F402-F557 HydrophobicContact CZ-CE2 4.09Å; F402-K578 HydrophobicContact CD1-CB 4.44Å; F402-K578 HydrophobicContact CD1-CD 4.37Å; F402-K578 HydrophobicContact CD1-CG 3.99Å; F402-K578 HydrophobicContact CE1-CG 4.16Å; F402-K578 HydrophobicContact CG-CB 4.49Å; F402-F581 AromaticContact CE2-CD1 3.56Å; F402-F581 HydrophobicContact CE2-CD1 3.56Å; F402-F581 HydrophobicContact CE2-CE1 4.02Å; F402-F581 HydrophobicContact CE2-CG 4.29Å; F402-F581 AromaticContact CZ-CD1 3.89Å; F402-F581 HydrophobicContact CZ-CD1 3.89Å; F402-F581 HydrophobicContact CZ-CE1 4.16Å; F402-F581 HydrophobicContact CZ-CG 4.35Å; F402-S582 VanDerWaalsContact CD2-OG 3.31Å; F402-S582 WeakPolarHBondContact CD2-OG 3.29Å
403	V	92.1	Very high	90.7	Very high	93 Å²	93	68.4 Å²	68.4	56%	0.564	36%	0.363	S	S	*	.			trans	-82.4	143.3	169.4	-178	0	0	0	0	108.5	K405 K578	V403-K405 VanDerWaalsContact C-N 3.27Å; V403-K405 HydrophobicContact CG1-CB 4.35Å; V403-K405 PolarHBondContact O-N 2.74Å; V403-K578 WeakPolarHBondContact O-CE 3.48Å; V403-K578 PolarHBondContact O-NZ 3.37Å
404	P	89.1	Confident	90.8	Very high	122 Å²	122	64.8 Å²	64.8	79%	0.792	35%	0.352	S	S	*	.	S	Bend	trans	-59.5	-34.2	-179.5	-27.7	35.8	0	0	0	114.3
405	K	92.8	Very high	91.1	Very high	164 Å²	164	62.8 Å²	62.8	71%	0.713	34%	0.341	S	S	*	.	S	Bend	trans	-64.5	139	175.4	-173.6	178.6	177.3	-176.1	0	110.4	V403 D407 K578	V403-K405 VanDerWaalsContact C-N 3.27Å; V403-K405 HydrophobicContact CG1-CB 4.35Å; V403-K405 PolarHBondContact O-N 2.74Å; K405-D407 PolarHBondContact O-N 2.79Å; K405-K578 PolarHBondContact O-NZ 2.94Å
406	V	92.8	Very high	91.2	Very high	33 Å²	33	65 Å²	65	20%	0.2	35%	0.35	C	S	.	.			trans	-76.7	121.5	172.6	176.8	0	0	0	0	109	L408 E571 K575	V406-L408 HydrophobicContact CG1-CD2 3.83Å; V406-E571 HydrophobicContact CB-CG 4.42Å; V406-E571 HydrophobicContact CG1-CG 4.42Å; V406-E571 HydrophobicContact CG2-CG 3.98Å; V406-K575 HydrophobicContact CG2-CD 4.24Å; V406-K575 HydrophobicContact CG2-CG 3.63Å
407	D	94.4	Very high	91.6	Very high	83 Å²	83	64.6 Å²	64.6	44%	0.444	35%	0.35	S	S	.	.			trans	-141.2	105	171.6	177.8	-36.2	0	0	0	106	K405 Q409 A410 D411	K405-D407 PolarHBondContact O-N 2.79Å; D407-Q409 PolarHBondContact O-N 2.48Å; D407-Q409 PolarHBondContact OD1-N 2.88Å; D407-Q409 VanDerWaalsContact OD1-N 3.17Å; D407-A410 HydrophobicContact CB-CB 3.86Å; D407-A410 VanDerWaalsContact CG-CB 3.48Å; D407-A410 PolarHBondContact O-N 3.27Å; D407-A410 PolarHBondContact OD1-N 3.37Å; D407-D411 PolarHBondContact N-OD2 2.93Å; D407-D411 WeakPolarHBondContact O-CB 3.49Å; D407-D411 PolarHBondContact O-N 2.83Å
408	L	94.8	Very high	92.1	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.089	32%	0.321	C	S	.	.	H	α-helix	trans	-61.3	-33.4	-168.3	-55	-179.9	0	0	0	112.5	V406 Y412 S560 R563 L566	V406-L408 HydrophobicContact CG1-CD2 3.83Å; L408-Y412 VanDerWaalsContact O-CB 3.25Å; L408-Y412 WeakPolarHBondContact O-CB 3.32Å; L408-Y412 PolarHBondContact O-N 3.16Å; L408-Y412 VanDerWaalsContact O-N 3.11Å; L408-S560 WeakPolarHBondContact CD1-O 3.46Å; L408-R563 HydrophobicContact CD1-CB 4.13Å; L408-L566 HydrophobicContact CD1-CD2 4.23Å; L408-L566 HydrophobicContact CD1-CG 4.06Å; L408-L566 HydrophobicContact CD2-CD1 3.59Å; L408-L566 HydrophobicContact CD2-CD2 4.5Å; L408-L566 HydrophobicContact CD2-CG 3.87Å
409	Q	91.8	Very high	93.2	Very high	71 Å²	71	54.4 Å²	54.4	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-79.7	-43.4	-179.7	-174.8	58.9	53.5	0	0	111.2	D407 Y412 N413	D407-Q409 PolarHBondContact O-N 2.48Å; D407-Q409 PolarHBondContact OD1-N 2.88Å; D407-Q409 VanDerWaalsContact OD1-N 3.17Å; Q409-Y412 PolarHBondContact O-N 3.45Å; Q409-N413 PolarHBondContact NE2-OD1 2.97Å; Q409-N413 WeakPolarHBondContact O-CB 3.17Å; Q409-N413 VanDerWaalsContact O-CG 3.24Å; Q409-N413 PolarHBondContact O-N 3.03Å; Q409-N413 PolarHBondContact O-ND2 3.15Å
410	A	92.1	Very high	93.7	Very high	39 Å²	39	52.9 Å²	52.9	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-38.1	176.5	0	0	0	0	0	111.9	D407 N413 T414	D407-A410 HydrophobicContact CB-CB 3.86Å; D407-A410 VanDerWaalsContact CG-CB 3.48Å; D407-A410 PolarHBondContact O-N 3.27Å; D407-A410 PolarHBondContact OD1-N 3.37Å; A410-N413 PolarHBondContact O-N 2.85Å; A410-T414 WeakPolarHBondContact O-CB 3.34Å; A410-T414 PolarHBondContact O-N 3.49Å; A410-T414 PolarHBondContact O-OG1 3.34Å
411	D	95.8	Very high	94	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-43.2	176.1	-69.9	-29.2	0	0	0	111	F402 D407 T414 A415 H574 K578	F402-D411 HydrophobicContact CD1-CB 4.35Å; F402-D411 HydrophobicContact CE1-CB 4.15Å; F402-D411 WeakPolarHBondContact CE1-O 3.34Å; D407-D411 PolarHBondContact N-OD2 2.93Å; D407-D411 WeakPolarHBondContact O-CB 3.49Å; D407-D411 PolarHBondContact O-N 2.83Å; D411-T414 PolarHBondContact O-N 2.84Å; D411-A415 VanDerWaalsContact O-CB 3.31Å; D411-A415 WeakPolarHBondContact O-CB 3.29Å; D411-A415 PolarHBondContact O-N 3.32Å; D411-H574 IonicContact OD2-CD2 3.85Å; D411-H574 IonicContact OD2-CE1 2.73Å; D411-H574 IonicContact OD2-NE2 3.56Å; D411-H574 PolarHBondContact OD2-NE2 3.37Å; D411-K578 VanDerWaalsContact CG-NZ 3.27Å; D411-K578 VanDerWaalsContact OD1-CE 3.29Å; D411-K578 WeakPolarHBondContact OD1-CE 3.28Å; D411-K578 IonicContact OD1-NZ 2.61Å; D411-K578 PolarHBondContact OD1-NZ 3.05Å; D411-K578 WeakPolarHBondContact OD2-CD 3.26Å; D411-K578 IonicContact OD2-NZ 2.8Å; D411-K578 PolarHBondContact OD2-NZ 3.45Å; D411-K578 VanDerWaalsContact OD2-NZ 3.07Å
412	Y	95.4	Very high	94.3	Very high	14 Å²	14	42 Å²	42	6%	0.055	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-47.4	172.3	165.3	-101.1	0	0	0	112.1	L408 Q409 A415 K416 Y554 K558 R561	L408-Y412 VanDerWaalsContact O-CB 3.25Å; L408-Y412 WeakPolarHBondContact O-CB 3.32Å; L408-Y412 PolarHBondContact O-N 3.16Å; L408-Y412 VanDerWaalsContact O-N 3.11Å; Q409-Y412 PolarHBondContact O-N 3.45Å; Y412-A415 PolarHBondContact O-N 3.27Å; Y412-K416 WeakPolarHBondContact O-CB 3.34Å; Y412-K416 PolarHBondContact O-N 2.88Å; Y412-Y554 HydrophobicContact CD2-CD2 4.31Å; Y412-Y554 AromaticContact CD2-CE2 3.73Å; Y412-Y554 HydrophobicContact CD2-CE2 3.73Å; Y412-Y554 HydrophobicContact CE2-CD2 4.28Å; Y412-Y554 AromaticContact CE2-CE2 3.32Å; Y412-Y554 HydrophobicContact CE2-CE2 3.32Å; Y412-Y554 AromaticContact CE2-CZ 3.61Å; Y412-Y554 WeakPolarHBondContact CE2-OH 3.37Å; Y412-Y554 PolarHBondContact OH-OH 3.45Å; Y412-K558 HydrophobicContact CD2-CB 3.99Å; Y412-K558 HydrophobicContact CD2-CG 4.42Å; Y412-K558 HydrophobicContact CE2-CB 3.68Å; Y412-K558 HydrophobicContact CE2-CD 4.28Å; Y412-K558 HydrophobicContact CE2-CG 3.71Å; Y412-R561 HydrophobicContact CG-CB 4.18Å
413	N	92.6	Very high	94.6	Very high	85 Å²	85	41.1 Å²	41.1	46%	0.455	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-41.2	179.3	-71.8	-20.1	0	0	0	111.8	Q409 A410 K416 G417	Q409-N413 PolarHBondContact NE2-OD1 2.97Å; Q409-N413 WeakPolarHBondContact O-CB 3.17Å; Q409-N413 VanDerWaalsContact O-CG 3.24Å; Q409-N413 PolarHBondContact O-N 3.03Å; Q409-N413 PolarHBondContact O-ND2 3.15Å; A410-N413 PolarHBondContact O-N 2.85Å; N413-K416 WeakPolarHBondContact O-CB 3.37Å; N413-K416 PolarHBondContact O-N 3.32Å; N413-G417 PolarHBondContact O-N 3.33Å
414	T	96.1	Very high	94.8	Very high	23 Å²	23	37.3 Å²	37.3	14%	0.141	21%	0.208	C	C	.	.	H	α-helix	trans	-61.6	-50.2	175.2	-58.5	0	0	0	0	110.3	P400 F402 A410 D411 K416 G417 V418	P400-T414 HydrophobicContact CB-CG2 4.22Å; P400-T414 HydrophobicContact CG-CG2 4.37Å; F402-T414 HydrophobicContact CD1-CG2 3.85Å; F402-T414 HydrophobicContact CD2-CG2 3.97Å; F402-T414 HydrophobicContact CE1-CG2 3.95Å; F402-T414 HydrophobicContact CE2-CG2 4.03Å; F402-T414 HydrophobicContact CG-CG2 3.89Å; F402-T414 HydrophobicContact CZ-CG2 4.04Å; A410-T414 WeakPolarHBondContact O-CB 3.34Å; A410-T414 PolarHBondContact O-N 3.49Å; A410-T414 PolarHBondContact O-OG1 3.34Å; D411-T414 PolarHBondContact O-N 2.84Å; T414-K416 VanDerWaalsContact C-N 3.3Å; T414-K416 PolarHBondContact O-N 2.72Å; T414-G417 PolarHBondContact O-N 3.33Å; T414-G417 VanDerWaalsContact O-N 3.13Å; T414-V418 HydrophobicContact CG2-CG2 4.33Å; T414-V418 WeakPolarHBondContact O-CG2 3.47Å; T414-V418 PolarHBondContact O-N 3.06Å
415	A	97.1	Very high	95.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.8	-41.5	177.2	0	0	0	0	0	112.2	F402 D411 Y412 V418 L419 Y554 F557 F581	F402-A415 HydrophobicContact CE1-CB 4.41Å; F402-A415 HydrophobicContact CZ-CB 3.92Å; D411-A415 VanDerWaalsContact O-CB 3.31Å; D411-A415 WeakPolarHBondContact O-CB 3.29Å; D411-A415 PolarHBondContact O-N 3.32Å; Y412-A415 PolarHBondContact O-N 3.27Å; A415-V418 PolarHBondContact O-N 3.37Å; A415-L419 WeakPolarHBondContact O-CB 3.45Å; A415-L419 PolarHBondContact O-N 2.96Å; A415-Y554 HydrophobicContact CB-CD2 4.08Å; A415-F557 HydrophobicContact CB-CD2 3.78Å; A415-F557 HydrophobicContact CB-CE2 4.26Å; A415-F581 HydrophobicContact CB-CE1 4.28Å; A415-F581 HydrophobicContact CB-CE2 4.05Å; A415-F581 HydrophobicContact CB-CZ 3.76Å; A415-F581 WeakPolarHBondContact O-CZ 3.3Å
416	K	95.3	Very high	95.4	Very high	52 Å²	52	24 Å²	24	23%	0.226	14%	0.138	C	C	.	.	H	α-helix	trans	-58.5	-48	174.8	-178	175.2	172.5	174.6	0	111.5	E99 P101 Y412 N413 T414 L419 G420 Y554	E99-K416 WeakPolarHBondContact O-CE 3.48Å; E99-K416 PolarHBondContact O-NZ 3.26Å; P101-K416 HydrophobicContact CG-CG 4.31Å; Y412-K416 WeakPolarHBondContact O-CB 3.34Å; Y412-K416 PolarHBondContact O-N 2.88Å; N413-K416 WeakPolarHBondContact O-CB 3.37Å; N413-K416 PolarHBondContact O-N 3.32Å; T414-K416 VanDerWaalsContact C-N 3.3Å; T414-K416 PolarHBondContact O-N 2.72Å; K416-L419 PolarHBondContact O-N 3.02Å; K416-G420 PolarHBondContact O-N 2.83Å; K416-Y554 HydrophobicContact CB-CE2 3.9Å
417	G	94.8	Very high	95.5	Very high	33 Å²	33	25.2 Å²	25.2	34%	0.34	14%	0.139	S	C	.	.	H	α-helix	trans	-63.8	-45	179.4	0	0	0	0	0	113	N413 T414 G420 A421	N413-G417 PolarHBondContact O-N 3.33Å; T414-G417 PolarHBondContact O-N 3.33Å; T414-G417 VanDerWaalsContact O-N 3.13Å; G417-G420 PolarHBondContact O-N 3.43Å; G417-A421 PolarHBondContact O-N 3.28Å; G417-A421 VanDerWaalsContact O-N 3.09Å
418	V	96.8	Very high	95.7	Very high	7 Å²	7	22.4 Å²	22.4	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-41.4	176.5	179.1	0	0	0	0	111.7	V399 P400 T414 A415 G420 A421 G422 M550 F581 A585	V399-V418 HydrophobicContact CG1-CB 4.28Å; V399-V418 HydrophobicContact CG1-CG1 4.05Å; V399-V418 HydrophobicContact CG1-CG2 3.78Å; P400-V418 HydrophobicContact CG-CG2 3.94Å; P400-V418 VanDerWaalsContact O-CG2 3.28Å; P400-V418 WeakPolarHBondContact O-CG2 3.4Å; T414-V418 HydrophobicContact CG2-CG2 4.33Å; T414-V418 WeakPolarHBondContact O-CG2 3.47Å; T414-V418 PolarHBondContact O-N 3.06Å; A415-V418 PolarHBondContact O-N 3.37Å; V418-G420 VanDerWaalsContact C-N 3.33Å; V418-G420 PolarHBondContact O-N 2.94Å; V418-A421 PolarHBondContact O-N 2.97Å; V418-G422 PolarHBondContact O-N 3.5Å; V418-M550 HydrophobicContact CG1-CE 3.77Å; V418-F581 HydrophobicContact CB-CE1 3.7Å; V418-F581 HydrophobicContact CB-CZ 4.35Å; V418-F581 HydrophobicContact CG1-CD1 4.4Å; V418-F581 HydrophobicContact CG1-CE1 3.61Å; V418-F581 HydrophobicContact CG1-CZ 4.45Å; V418-F581 HydrophobicContact CG2-CE1 4.32Å; V418-A585 HydrophobicContact CG1-CB 3.47Å; V418-A585 VanDerWaalsContact CG1-CB 3.47Å
419	L	96.5	Very high	95.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-40.1	174	-91.3	169.5	0	0	0	111.9	P101 A415 K416 A421 G422 Y423 L547 M550 Y554 F581	P101-L419 HydrophobicContact CB-CB 3.62Å; P101-L419 HydrophobicContact CG-CB 4.13Å; P101-L419 HydrophobicContact CG-CD1 4.2Å; A415-L419 WeakPolarHBondContact O-CB 3.45Å; A415-L419 PolarHBondContact O-N 2.96Å; K416-L419 PolarHBondContact O-N 3.02Å; L419-A421 PolarHBondContact O-N 3.47Å; L419-G422 PolarHBondContact O-N 2.92Å; L419-G422 VanDerWaalsContact O-N 3.13Å; L419-Y423 HydrophobicContact CB-CD2 4.49Å; L419-Y423 HydrophobicContact CB-CE2 4.46Å; L419-Y423 HydrophobicContact CD2-CE2 4.06Å; L419-Y423 WeakPolarHBondContact O-CD2 3.49Å; L419-Y423 PolarHBondContact O-N 3.3Å; L419-L547 HydrophobicContact CD2-CD2 3.92Å; L419-M550 HydrophobicContact CD2-CB 3.74Å; L419-M550 HydrophobicContact CD2-CE 4.18Å; L419-M550 HydrophobicContact CG-CB 4.41Å; L419-M550 HydrophobicContact CG-CE 4.4Å; L419-Y554 HydrophobicContact CD1-CD1 3.8Å; L419-Y554 HydrophobicContact CD1-CD2 3.92Å; L419-Y554 HydrophobicContact CD1-CG 3.38Å; L419-F581 HydrophobicContact CD1-CE2 4.35Å; L419-F581 HydrophobicContact CD1-CZ 4.31Å; L419-F581 HydrophobicContact CG-CE2 4.29Å; L419-F581 HydrophobicContact CG-CZ 3.9Å
420	G	95.8	Very high	96	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-56.3	-48.6	175	0	0	0	0	0	112.2	P101 F105 K416 G417 V418 G422 Y423 Q424	P101-G420 WeakPolarHBondContact O-CA 3.39Å; F105-G420 WeakPolarHBondContact CE2-O 3.46Å; K416-G420 PolarHBondContact O-N 2.83Å; G417-G420 PolarHBondContact O-N 3.43Å; V418-G420 VanDerWaalsContact C-N 3.33Å; V418-G420 PolarHBondContact O-N 2.94Å; G420-G422 VanDerWaalsContact C-N 3.32Å; G420-G422 PolarHBondContact O-N 2.96Å; G420-Y423 PolarHBondContact O-N 2.88Å; G420-Q424 PolarHBondContact O-N 3.46Å
421	A	96	Very high	96.2	Very high	6 Å²	6	23.6 Å²	23.6	5%	0.05	13%	0.125	C	C	.	.	H	α-helix	trans	-60.6	-39.7	174.1	0	0	0	0	0	112.3	P395 V399 G417 V418 L419 Q424 A425	P395-A421 HydrophobicContact CB-CB 4.43Å; V399-A421 HydrophobicContact CG2-CB 4Å; G417-A421 PolarHBondContact O-N 3.28Å; G417-A421 VanDerWaalsContact O-N 3.09Å; V418-A421 PolarHBondContact O-N 2.97Å; L419-A421 PolarHBondContact O-N 3.47Å; A421-Q424 WeakPolarHBondContact O-CB 3.42Å; A421-Q424 PolarHBondContact O-N 2.9Å; A421-A425 PolarHBondContact O-N 3.41Å
422	G	97	Very high	96.2	Very high	3 Å²	3	23.6 Å²	23.6	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-63.9	-43.4	176.2	0	0	0	0	0	113.6	V418 L419 G420 Q424 A425 L426	V418-G422 PolarHBondContact O-N 3.5Å; L419-G422 PolarHBondContact O-N 2.92Å; L419-G422 VanDerWaalsContact O-N 3.13Å; G420-G422 VanDerWaalsContact C-N 3.32Å; G420-G422 PolarHBondContact O-N 2.96Å; G422-Q424 VanDerWaalsContact C-N 3.33Å; G422-A425 WeakPolarHBondContact O-CB 3.45Å; G422-A425 PolarHBondContact O-N 3.45Å; G422-L426 PolarHBondContact O-N 2.94Å
423	Y	97.1	Very high	96.2	Very high	15 Å²	15	25.2 Å²	25.2	6%	0.059	13%	0.134	C	C	.	.	H	α-helix	trans	-67.3	-34.4	174.9	-76.9	-64.6	0	0	0	112.3	P101 E102 L419 G420 L426 R427 L547	P101-Y423 HydrophobicContact CB-CD2 4.02Å; P101-Y423 HydrophobicContact CB-CE2 4.02Å; E102-Y423 HydrophobicContact CB-CD2 4.38Å; E102-Y423 HydrophobicContact CB-CG 4.39Å; E102-Y423 HydrophobicContact CG-CD1 3.61Å; E102-Y423 HydrophobicContact CG-CD2 3.63Å; E102-Y423 HydrophobicContact CG-CE1 3.42Å; E102-Y423 VanDerWaalsContact CG-CE1 3.42Å; E102-Y423 HydrophobicContact CG-CE2 3.47Å; E102-Y423 VanDerWaalsContact CG-CE2 3.47Å; E102-Y423 HydrophobicContact CG-CG 3.68Å; E102-Y423 VanDerWaalsContact OE1-CZ 3.26Å; E102-Y423 PolarHBondContact OE1-OH 2.91Å; L419-Y423 HydrophobicContact CB-CD2 4.49Å; L419-Y423 HydrophobicContact CB-CE2 4.46Å; L419-Y423 HydrophobicContact CD2-CE2 4.06Å; L419-Y423 WeakPolarHBondContact O-CD2 3.49Å; L419-Y423 PolarHBondContact O-N 3.3Å; G420-Y423 PolarHBondContact O-N 2.88Å; Y423-L426 HydrophobicContact CD1-CD2 4.47Å; Y423-L426 PolarHBondContact O-N 3.36Å; Y423-R427 WeakPolarHBondContact O-CG 3.35Å; Y423-R427 PolarHBondContact O-N 3.37Å; Y423-L547 HydrophobicContact CD1-CD1 3.81Å; Y423-L547 HydrophobicContact CD1-CD2 4.38Å; Y423-L547 HydrophobicContact CD2-CD2 4.48Å; Y423-L547 HydrophobicContact CE1-CD1 4.09Å; Y423-L547 HydrophobicContact CG-CD1 4.46Å; Y423-L547 HydrophobicContact CG-CD2 4.39Å
424	Q	96.2	Very high	96.3	Very high	13 Å²	13	25.9 Å²	25.9	6%	0.061	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-46.2	170.6	-169.6	-172.3	6.8	0	0	111.4	F105 P395 G420 A421 G422 L426 R427 L428	F105-Q424 HydrophobicContact CD2-CB 3.81Å; F105-Q424 HydrophobicContact CD2-CG 4.08Å; F105-Q424 HydrophobicContact CE2-CB 3.75Å; F105-Q424 HydrophobicContact CE2-CG 4.2Å; P395-Q424 HydrophobicContact CG-CB 4.43Å; P395-Q424 HydrophobicContact CG-CG 4.23Å; G420-Q424 PolarHBondContact O-N 3.46Å; A421-Q424 WeakPolarHBondContact O-CB 3.42Å; A421-Q424 PolarHBondContact O-N 2.9Å; G422-Q424 VanDerWaalsContact C-N 3.33Å; Q424-L426 VanDerWaalsContact C-N 3.33Å; Q424-L426 PolarHBondContact O-N 3.21Å; Q424-R427 PolarHBondContact O-N 2.94Å; Q424-L428 HydrophobicContact CG-CD1 4.15Å; Q424-L428 WeakPolarHBondContact O-CB 3.21Å; Q424-L428 WeakPolarHBondContact O-CG 3.44Å; Q424-L428 PolarHBondContact O-N 3.44Å
425	A	97.1	Very high	96.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-41.7	175.9	0	0	0	0	0	112.1	P395 A421 G422 L428 A429 L588 L589 F592	P395-A425 HydrophobicContact CB-CB 4.24Å; P395-A425 HydrophobicContact CG-CB 4.01Å; A421-A425 PolarHBondContact O-N 3.41Å; G422-A425 WeakPolarHBondContact O-CB 3.45Å; G422-A425 PolarHBondContact O-N 3.45Å; A425-L428 PolarHBondContact O-N 3.43Å; A425-A429 VanDerWaalsContact O-CB 3.31Å; A425-A429 WeakPolarHBondContact O-CB 3.06Å; A425-A429 PolarHBondContact O-N 2.92Å; A425-L588 HydrophobicContact CB-CD2 3.87Å; A425-L589 HydrophobicContact CB-CD2 4.41Å; A425-F592 HydrophobicContact CB-CB 4.22Å; A425-F592 HydrophobicContact CB-CD1 4.26Å; A425-F592 HydrophobicContact CB-CD2 4Å; A425-F592 HydrophobicContact CB-CE2 4.47Å; A425-F592 HydrophobicContact CB-CG 3.88Å; A425-F592 WeakPolarHBondContact O-CD2 3.4Å; A425-F592 WeakPolarHBondContact O-CE2 3.44Å
426	L	97.6	Very high	96.1	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-46.3	174.9	176.6	66.1	0	0	0	112.5	G422 Y423 Q424 A429 R430 I540 I543 L547	G422-L426 PolarHBondContact O-N 2.94Å; Y423-L426 HydrophobicContact CD1-CD2 4.47Å; Y423-L426 PolarHBondContact O-N 3.36Å; Q424-L426 VanDerWaalsContact C-N 3.33Å; Q424-L426 PolarHBondContact O-N 3.21Å; L426-A429 PolarHBondContact O-N 3.23Å; L426-R430 WeakPolarHBondContact O-CG 3.49Å; L426-R430 PolarHBondContact O-N 3.02Å; L426-I540 HydrophobicContact CD1-CG2 3.88Å; L426-I543 HydrophobicContact CB-CG2 3.77Å; L426-I543 HydrophobicContact CD1-CB 4.35Å; L426-I543 HydrophobicContact CD1-CG2 3.81Å; L426-I543 HydrophobicContact CG-CG2 4.36Å; L426-L547 HydrophobicContact CB-CD1 3.8Å; L426-L547 HydrophobicContact CD2-CD1 3.67Å; L426-L547 HydrophobicContact CG-CD1 4.27Å
427	R	96.4	Very high	96.1	Very high	58 Å²	58	25.4 Å²	25.4	22%	0.219	14%	0.138	C	C	.	.	H	α-helix	trans	-62.1	-45.3	177.7	-74	-169.8	-58.9	-92.9	6.3	111.6	E102 Q268 Y423 Q424 R430 A431	E102-R427 PolarHBondContact O-NH1 3.01Å; Q268-R427 VanDerWaalsContact NE2-CZ 3.33Å; Y423-R427 WeakPolarHBondContact O-CG 3.35Å; Y423-R427 PolarHBondContact O-N 3.37Å; Q424-R427 PolarHBondContact O-N 2.94Å; R427-R430 PolarHBondContact O-N 3.49Å; R427-A431 PolarHBondContact O-N 2.65Å
428	L	96.7	Very high	96.1	Very high	24 Å²	24	24.3 Å²	24.3	13%	0.126	12%	0.124	C	C	.	.	H	α-helix	trans	-62.7	-44.1	176.5	-70.6	172.7	0	0	0	111	L390 F392 P395 Q424 A425 R430 A431 L432 F592	L390-L428 HydrophobicContact CD2-CD2 4.33Å; F392-L428 HydrophobicContact CB-CD1 4.05Å; F392-L428 HydrophobicContact CB-CD2 3.57Å; F392-L428 HydrophobicContact CB-CG 4.46Å; F392-L428 HydrophobicContact CD2-CD1 3.72Å; F392-L428 HydrophobicContact CD2-CD2 4.47Å; F392-L428 HydrophobicContact CG-CD1 4.08Å; F392-L428 HydrophobicContact CG-CD2 4Å; P395-L428 HydrophobicContact CG-CD1 3.81Å; Q424-L428 HydrophobicContact CG-CD1 4.15Å; Q424-L428 WeakPolarHBondContact O-CB 3.21Å; Q424-L428 WeakPolarHBondContact O-CG 3.44Å; Q424-L428 PolarHBondContact O-N 3.44Å; A425-L428 PolarHBondContact O-N 3.43Å; L428-R430 VanDerWaalsContact C-N 3.3Å; L428-R430 PolarHBondContact O-N 3.25Å; L428-A431 PolarHBondContact O-N 2.95Å; L428-A431 VanDerWaalsContact O-N 3.15Å; L428-L432 WeakPolarHBondContact O-CB 3.43Å; L428-L432 VanDerWaalsContact O-CG 3.22Å; L428-L432 WeakPolarHBondContact O-CG 3.48Å; L428-L432 PolarHBondContact O-N 3.45Å; L428-F592 HydrophobicContact CB-CE2 3.67Å; L428-F592 HydrophobicContact CB-CZ 3.87Å; L428-F592 HydrophobicContact CD1-CZ 4.04Å
429	A	97.5	Very high	96.1	Very high	2 Å²	2	24 Å²	24	2%	0.017	12%	0.122	C	C	.	.	H	α-helix	trans	-56.4	-43.7	176.4	0	0	0	0	0	112.2	A425 L426 L432 L433 I540 I543 F592 C596	A425-A429 VanDerWaalsContact O-CB 3.31Å; A425-A429 WeakPolarHBondContact O-CB 3.06Å; A425-A429 PolarHBondContact O-N 2.92Å; L426-A429 PolarHBondContact O-N 3.23Å; A429-L432 PolarHBondContact O-N 3.38Å; A429-L433 WeakPolarHBondContact O-CB 3.5Å; A429-L433 PolarHBondContact O-N 3.37Å; A429-I540 HydrophobicContact CB-CG1 4.26Å; A429-I543 HydrophobicContact CB-CD1 3.91Å; A429-F592 HydrophobicContact CB-CD2 4.15Å; A429-F592 HydrophobicContact CB-CE2 4.43Å; A429-C596 HydrophobicContact CB-CB 4.26Å
430	R	96.5	Very high	96	Very high	111 Å²	111	24.3 Å²	24.3	42%	0.419	12%	0.124	S	C	.	.	H	α-helix	trans	-61.3	-50.2	173.7	-73.1	172.6	-179.3	171.2	3.8	111.6	L426 R427 L428 L432 L433 D434 I540	L426-R430 WeakPolarHBondContact O-CG 3.49Å; L426-R430 PolarHBondContact O-N 3.02Å; R427-R430 PolarHBondContact O-N 3.49Å; L428-R430 VanDerWaalsContact C-N 3.3Å; L428-R430 PolarHBondContact O-N 3.25Å; R430-L432 VanDerWaalsContact C-N 3.31Å; R430-L432 PolarHBondContact O-N 3.47Å; R430-L433 PolarHBondContact O-N 2.97Å; R430-L433 VanDerWaalsContact O-N 3.15Å; R430-D434 WeakPolarHBondContact O-CB 3.36Å; R430-D434 VanDerWaalsContact O-CG 3.24Å; R430-D434 PolarHBondContact O-N 2.74Å; R430-I540 HydrophobicContact CG-CD1 3.87Å; R430-I540 HydrophobicContact CG-CG1 4.5Å; R430-I540 HydrophobicContact CG-CG2 4.23Å
431	A	95.6	Very high	95.9	Very high	40 Å²	40	27 Å²	27	33%	0.331	13%	0.134	S	C	.	.	H	α-helix	trans	-61.9	-36.6	179.9	0	0	0	0	0	113.2	L390 R427 L428 G435	L390-A431 HydrophobicContact CD2-CB 3.78Å; R427-A431 PolarHBondContact O-N 2.65Å; L428-A431 PolarHBondContact O-N 2.95Å; L428-A431 VanDerWaalsContact O-N 3.15Å; A431-G435 PolarHBondContact O-N 3.13Å
432	L	96	Very high	95.9	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-66.5	-43.5	174.8	-66	176.1	0	0	0	111.3	L390 F392 L428 A429 R430 G435 Q436 F592 C596 V597 Y600	L390-L432 HydrophobicContact CB-CD2 4.16Å; L390-L432 HydrophobicContact CD2-CD2 4.04Å; F392-L432 HydrophobicContact CE1-CD1 4.4Å; F392-L432 HydrophobicContact CE1-CD2 4.04Å; F392-L432 HydrophobicContact CZ-CD1 4.47Å; L428-L432 WeakPolarHBondContact O-CB 3.43Å; L428-L432 VanDerWaalsContact O-CG 3.22Å; L428-L432 WeakPolarHBondContact O-CG 3.48Å; L428-L432 PolarHBondContact O-N 3.45Å; A429-L432 PolarHBondContact O-N 3.38Å; R430-L432 VanDerWaalsContact C-N 3.31Å; R430-L432 PolarHBondContact O-N 3.47Å; L432-G435 PolarHBondContact O-N 3.13Å; L432-Q436 WeakPolarHBondContact O-CG 3.33Å; L432-Q436 PolarHBondContact O-N 2.89Å; L432-F592 HydrophobicContact CD1-CE2 4.39Å; L432-C596 HydrophobicContact CD1-CB 4.49Å; L432-V597 HydrophobicContact CD1-CG2 4.07Å; L432-Y600 HydrophobicContact CB-CD2 3.85Å; L432-Y600 HydrophobicContact CB-CE2 4.49Å; L432-Y600 HydrophobicContact CB-CG 4.12Å; L432-Y600 HydrophobicContact CD2-CD1 3.68Å; L432-Y600 HydrophobicContact CD2-CD2 3.8Å; L432-Y600 HydrophobicContact CD2-CE1 3.85Å; L432-Y600 HydrophobicContact CD2-CE2 3.97Å; L432-Y600 HydrophobicContact CD2-CG 3.65Å; L432-Y600 HydrophobicContact CG-CD2 4.37Å; L432-Y600 HydrophobicContact CG-CG 4.3Å; L432-Y600 WeakPolarHBondContact O-CD2 3.44Å
433	L	95.1	Very high	95.8	Very high	49 Å²	49	26.6 Å²	26.6	26%	0.257	13%	0.13	S	C	.	.	H	α-helix	trans	-64.2	-48.1	176.3	-178.6	65.8	0	0	0	111.6	A429 R430 G435 Q436 E437 V534 I540	A429-L433 WeakPolarHBondContact O-CB 3.5Å; A429-L433 PolarHBondContact O-N 3.37Å; R430-L433 PolarHBondContact O-N 2.97Å; R430-L433 VanDerWaalsContact O-N 3.15Å; L433-G435 VanDerWaalsContact C-N 3.28Å; L433-G435 PolarHBondContact O-N 3.43Å; L433-Q436 WeakPolarHBondContact O-CB 3.41Å; L433-Q436 PolarHBondContact O-N 2.81Å; L433-E437 PolarHBondContact O-N 3.18Å; L433-V534 HydrophobicContact CD1-CG1 3.25Å; L433-I540 HydrophobicContact CB-CD1 4.12Å; L433-I540 HydrophobicContact CD2-CD1 3.36Å; L433-I540 HydrophobicContact CG-CD1 4.37Å
434	D	94.3	Very high	95.7	Very high	98 Å²	98	29 Å²	29	52%	0.524	14%	0.142	S	C	.	.	H	α-helix	trans	-58.6	-44.1	177.1	-67.6	-25.8	0	0	0	110.1	R430 Q436 E437 L438	R430-D434 WeakPolarHBondContact O-CB 3.36Å; R430-D434 VanDerWaalsContact O-CG 3.24Å; R430-D434 PolarHBondContact O-N 2.74Å; D434-Q436 VanDerWaalsContact C-N 3.29Å; D434-Q436 PolarHBondContact O-N 2.95Å; D434-E437 PolarHBondContact O-N 3.21Å; D434-L438 VanDerWaalsContact O-CG 3.26Å; D434-L438 WeakPolarHBondContact O-CG 3.29Å; D434-L438 PolarHBondContact O-N 3.43Å
435	G	94.9	Very high	95.7	Very high	11 Å²	11	30.2 Å²	30.2	11%	0.113	15%	0.145	C	C	.	.	H	α-helix	trans	-56.9	-39	173.8	0	0	0	0	0	113.3	A431 L432 L433 M439	A431-G435 PolarHBondContact O-N 3.13Å; L432-G435 PolarHBondContact O-N 3.13Å; L433-G435 VanDerWaalsContact C-N 3.28Å; L433-G435 PolarHBondContact O-N 3.43Å; G435-M439 VanDerWaalsContact O-CG 3.29Å; G435-M439 WeakPolarHBondContact O-CG 3.34Å; G435-M439 PolarHBondContact O-N 3.28Å
436	Q	95.1	Very high	95.5	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.061	15%	0.147	C	C	.	.	H	α-helix	trans	-65.4	-46.4	174.6	-70.6	175.4	-39.8	0	0	112.6	L432 L433 D434 L438 M439 F440 K599 Y600	L432-Q436 WeakPolarHBondContact O-CG 3.33Å; L432-Q436 PolarHBondContact O-N 2.89Å; L433-Q436 WeakPolarHBondContact O-CB 3.41Å; L433-Q436 PolarHBondContact O-N 2.81Å; D434-Q436 VanDerWaalsContact C-N 3.29Å; D434-Q436 PolarHBondContact O-N 2.95Å; Q436-L438 VanDerWaalsContact C-N 3.3Å; Q436-L438 PolarHBondContact O-N 3.06Å; Q436-M439 HydrophobicContact CB-CE 4.25Å; Q436-M439 HydrophobicContact CG-CE 3.85Å; Q436-M439 WeakPolarHBondContact O-CB 3.3Å; Q436-M439 PolarHBondContact O-N 3.19Å; Q436-F440 HydrophobicContact CB-CE2 4.16Å; Q436-F440 WeakPolarHBondContact O-CD2 3.25Å; Q436-F440 WeakPolarHBondContact O-CG 3.25Å; Q436-F440 PolarHBondContact O-N 2.97Å; Q436-K599 PolarHBondContact NE2-O 3.41Å; Q436-Y600 HydrophobicContact CG-CD2 3.85Å; Q436-Y600 HydrophobicContact CG-CE2 4.4Å
437	E	94.2	Very high	95.4	Very high	41 Å²	41	30.3 Å²	30.3	19%	0.192	15%	0.146	C	C	.	.	H	α-helix	trans	-62.7	-40.2	177.7	-176.2	63.5	-166.2	0	0	110.9	L433 D434 F440 R441 R531 H535	L433-E437 PolarHBondContact O-N 3.18Å; D434-E437 PolarHBondContact O-N 3.21Å; E437-F440 PolarHBondContact O-N 3.09Å; E437-R441 VanDerWaalsContact O-CB 3.26Å; E437-R441 WeakPolarHBondContact O-CB 3.42Å; E437-R441 PolarHBondContact O-N 2.72Å; E437-R531 IonicContact OE1-CZ 2.63Å; E437-R531 IonicContact OE1-NE 2.87Å; E437-R531 PolarHBondContact OE1-NE 2.99Å; E437-R531 IonicContact OE1-NH2 3.52Å; E437-R531 PolarHBondContact OE1-NH2 2.96Å; E437-R531 IonicContact OE2-NE 3.35Å; E437-R531 PolarHBondContact OE2-NE 3.47Å; E437-H535 IonicContact OE1-NE2 3Å; E437-H535 IonicContact OE2-CE1 2.85Å; E437-H535 IonicContact OE2-NE2 2.66Å; E437-H535 PolarHBondContact OE2-NE2 2.99Å
438	L	95.8	Very high	95.2	Very high	11 Å²	11	30.6 Å²	30.6	6%	0.058	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-43.2	173.8	-67.2	-176.2	0	0	0	112.3	F314 L321 P378 D434 Q436 G442	F314-L438 HydrophobicContact CB-CD1 4.37Å; F314-L438 HydrophobicContact CD1-CB 3.86Å; F314-L438 HydrophobicContact CD2-CB 3.9Å; F314-L438 HydrophobicContact CD2-CD1 3.45Å; F314-L438 VanDerWaalsContact CD2-CD1 3.45Å; F314-L438 HydrophobicContact CD2-CG 4.28Å; F314-L438 HydrophobicContact CE1-CB 3.62Å; F314-L438 HydrophobicContact CE2-CB 3.68Å; F314-L438 HydrophobicContact CE2-CD1 3.8Å; F314-L438 HydrophobicContact CE2-CG 4.38Å; F314-L438 HydrophobicContact CG-CB 3.99Å; F314-L438 HydrophobicContact CG-CD1 3.93Å; F314-L438 HydrophobicContact CG-CG 4.48Å; F314-L438 HydrophobicContact CZ-CB 3.53Å; L321-L438 HydrophobicContact CB-CD1 4.48Å; L321-L438 HydrophobicContact CD1-CD1 4.33Å; P378-L438 HydrophobicContact CG-CD1 4.4Å; P378-L438 HydrophobicContact CG-CD2 3.91Å; D434-L438 VanDerWaalsContact O-CG 3.26Å; D434-L438 WeakPolarHBondContact O-CG 3.29Å; D434-L438 PolarHBondContact O-N 3.43Å; Q436-L438 VanDerWaalsContact C-N 3.3Å; Q436-L438 PolarHBondContact O-N 3.06Å; L438-G442 PolarHBondContact O-N 3.06Å
439	M	95.8	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-49.2	175.1	-76.8	-172	-67	0	0	111.6	F314 A319 G435 Q436 L443 Y600 L604 H607	F314-M439 HydrophobicContact CE1-CG 4.37Å; F314-M439 HydrophobicContact CZ-CG 3.88Å; A319-M439 HydrophobicContact CB-CG 3.8Å; A319-M439 HydrophobicContact CB-SD 3.45Å; A319-M439 WeakPolarHBondContact CB-SD 3.4Å; G435-M439 VanDerWaalsContact O-CG 3.29Å; G435-M439 WeakPolarHBondContact O-CG 3.34Å; G435-M439 PolarHBondContact O-N 3.28Å; Q436-M439 HydrophobicContact CB-CE 4.25Å; Q436-M439 HydrophobicContact CG-CE 3.85Å; Q436-M439 WeakPolarHBondContact O-CB 3.3Å; Q436-M439 PolarHBondContact O-N 3.19Å; M439-L443 WeakPolarHBondContact O-CB 3.46Å; M439-L443 PolarHBondContact O-N 3.39Å; M439-Y600 HydrophobicContact CE-CE2 4.11Å; M439-L604 HydrophobicContact SD-CD1 4.01Å; M439-H607 HydrophobicContact SD-CB 3.8Å; M439-H607 VanDerWaalsContact SD-CD2 3.57Å; M439-H607 VanDerWaalsContact SD-CG 3.52Å
440	F	95.4	Very high	94.8	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-47.3	-179.1	-63.3	-43.1	0	0	0	112	Q436 E437 L443 H444 L527 R531 V534	Q436-F440 HydrophobicContact CB-CE2 4.16Å; Q436-F440 WeakPolarHBondContact O-CD2 3.25Å; Q436-F440 WeakPolarHBondContact O-CG 3.25Å; Q436-F440 PolarHBondContact O-N 2.97Å; E437-F440 PolarHBondContact O-N 3.09Å; F440-L443 PolarHBondContact O-N 2.98Å; F440-H444 WeakPolarHBondContact O-CB 3.36Å; F440-H444 PolarHBondContact O-N 2.98Å; F440-L527 HydrophobicContact CB-CD1 4.48Å; F440-L527 HydrophobicContact CD1-CD1 3.6Å; F440-L527 HydrophobicContact CD1-CG 4.48Å; F440-L527 HydrophobicContact CE1-CD1 4.36Å; F440-L527 HydrophobicContact CG-CD1 4.47Å; F440-R531 HydrophobicContact CB-CB 4.39Å; F440-R531 HydrophobicContact CB-CG 4.45Å; F440-R531 HydrophobicContact CD2-CB 4.01Å; F440-R531 HydrophobicContact CD2-CG 4.2Å; F440-R531 HydrophobicContact CG-CB 4.22Å; F440-V534 HydrophobicContact CE2-CB 4.17Å; F440-V534 HydrophobicContact CE2-CG2 3.78Å; F440-V534 HydrophobicContact CZ-CG2 4.21Å
441	R	94.8	Very high	94.7	Very high	58 Å²	58	28 Å²	28	22%	0.219	15%	0.145	C	C	.	.	H	α-helix	trans	-62.9	-44.7	179.3	-177.2	173.6	61.6	176.8	0.1	111.9	S376 E437 H444 W445	S376-R441 PolarHBondContact O-NH1 3.21Å; S376-R441 PolarHBondContact O-NH2 3.04Å; E437-R441 VanDerWaalsContact O-CB 3.26Å; E437-R441 WeakPolarHBondContact O-CB 3.42Å; E437-R441 PolarHBondContact O-N 2.72Å; R441-H444 PolarHBondContact O-N 3Å; R441-W445 HydrophobicContact CG-CD2 4.09Å; R441-W445 HydrophobicContact CG-CH2 4.14Å; R441-W445 HydrophobicContact CG-CZ2 3.63Å; R441-W445 VanDerWaalsContact O-CG 3.3Å; R441-W445 PolarHBondContact O-N 3.31Å
442	G	95.5	Very high	94.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-44.3	178.2	0	0	0	0	0	112.5	L438 W445 V446	L438-G442 PolarHBondContact O-N 3.06Å; G442-W445 PolarHBondContact O-N 3.12Å; G442-V446 WeakPolarHBondContact O-CG2 3.22Å; G442-V446 PolarHBondContact O-N 2.88Å
443	L	94.9	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.6	-46	174.2	-87.4	177.1	0	0	0	111.8	M439 F440 W445 V446 M447 L527 H607 R610 M611 V614	M439-L443 WeakPolarHBondContact O-CB 3.46Å; M439-L443 PolarHBondContact O-N 3.39Å; F440-L443 PolarHBondContact O-N 2.98Å; L443-W445 VanDerWaalsContact C-N 3.32Å; L443-W445 PolarHBondContact O-N 3.26Å; L443-V446 PolarHBondContact O-N 3.21Å; L443-M447 WeakPolarHBondContact O-CB 3.41Å; L443-M447 WeakPolarHBondContact O-CG 3.2Å; L443-M447 PolarHBondContact O-N 2.84Å; L443-L527 HydrophobicContact CB-CD1 4.18Å; L443-L527 HydrophobicContact CB-CD2 3.83Å; L443-L527 HydrophobicContact CD1-CD1 3.88Å; L443-H607 WeakPolarHBondContact CD1-ND1 3.41Å; L443-R610 HydrophobicContact CD1-CB 3.83Å; L443-R610 HydrophobicContact CD2-CB 4.45Å; L443-M611 HydrophobicContact CD2-CG 4.15Å; L443-M611 HydrophobicContact CD2-SD 3.45Å; L443-M611 WeakPolarHBondContact CD2-SD 3.43Å; L443-M611 HydrophobicContact CG-SD 4.26Å; L443-V614 HydrophobicContact CD2-CG2 4.12Å
444	H	95.1	Very high	94.5	Very high	66 Å²	66	27.4 Å²	27.4	31%	0.306	14%	0.143	S	C	.	.	H	α-helix	trans	-56.4	-47.7	177.9	178.1	-83.2	0	0	0	111	F440 R441 V446 M447 E448 N524 L527	F440-H444 WeakPolarHBondContact O-CB 3.36Å; F440-H444 PolarHBondContact O-N 2.98Å; R441-H444 PolarHBondContact O-N 3Å; H444-V446 PolarHBondContact O-N 2.9Å; H444-M447 PolarHBondContact O-N 2.75Å; H444-E448 PolarHBondContact O-N 3.16Å; H444-N524 PolarHBondContact CD2-OD1 2.86Å; H444-L527 HydrophobicContact CB-CD2 3.91Å
445	W	94.8	Very high	94.5	Very high	37 Å²	37	28.8 Å²	28.8	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-60.6	-45.5	177.2	-67.1	-18	0	0	0	113	L353 G356 R441 G442 L443 M447 E448 V449	L353-W445 HydrophobicContact CB-CE3 4.41Å; L353-W445 HydrophobicContact CD2-CB 3.94Å; G356-W445 VanDerWaalsContact N-CE2 3.33Å; R441-W445 HydrophobicContact CG-CD2 4.09Å; R441-W445 HydrophobicContact CG-CH2 4.14Å; R441-W445 HydrophobicContact CG-CZ2 3.63Å; R441-W445 VanDerWaalsContact O-CG 3.3Å; R441-W445 PolarHBondContact O-N 3.31Å; G442-W445 PolarHBondContact O-N 3.12Å; L443-W445 VanDerWaalsContact C-N 3.32Å; L443-W445 PolarHBondContact O-N 3.26Å; W445-M447 VanDerWaalsContact C-N 3.28Å; W445-M447 PolarHBondContact O-N 2.79Å; W445-E448 PolarHBondContact O-N 3.49Å; W445-V449 WeakPolarHBondContact O-CG2 3.25Å; W445-V449 PolarHBondContact O-N 2.87Å
446	V	94.3	Very high	94.5	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.042	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-41	177.3	175.4	0	0	0	0	110.7	L316 L353 F382 G442 L443 H444 V449 L450 V614	L316-V446 HydrophobicContact CD2-CG2 3.85Å; L353-V446 HydrophobicContact CD1-CG2 4.04Å; L353-V446 HydrophobicContact CD2-CG2 4.32Å; F382-V446 HydrophobicContact CD2-CG1 4.14Å; F382-V446 HydrophobicContact CD2-CG2 3.69Å; F382-V446 HydrophobicContact CE2-CG1 3.76Å; F382-V446 HydrophobicContact CE2-CG2 4.11Å; F382-V446 HydrophobicContact CG-CG2 4.33Å; F382-V446 HydrophobicContact CZ-CG1 4.16Å; G442-V446 WeakPolarHBondContact O-CG2 3.22Å; G442-V446 PolarHBondContact O-N 2.88Å; L443-V446 PolarHBondContact O-N 3.21Å; H444-V446 PolarHBondContact O-N 2.9Å; V446-V449 PolarHBondContact O-N 3.41Å; V446-L450 HydrophobicContact CG1-CD1 4.27Å; V446-L450 HydrophobicContact CG1-CG 4.44Å; V446-L450 WeakPolarHBondContact O-CG 3.46Å; V446-L450 PolarHBondContact O-N 2.83Å; V446-V614 HydrophobicContact CB-CG1 4.43Å; V446-V614 HydrophobicContact CG1-CG1 3.4Å; V446-V614 VanDerWaalsContact CG1-CG1 3.4Å
447	M	94.1	Very high	94.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-65.8	-40.4	178.7	-69.3	173.4	66.5	0	0	112.3	L443 H444 W445 V449 L450 Q451 L520 L523 N524 L527 V614	L443-M447 WeakPolarHBondContact O-CB 3.41Å; L443-M447 WeakPolarHBondContact O-CG 3.2Å; L443-M447 PolarHBondContact O-N 2.84Å; H444-M447 PolarHBondContact O-N 2.75Å; W445-M447 VanDerWaalsContact C-N 3.28Å; W445-M447 PolarHBondContact O-N 2.79Å; M447-V449 PolarHBondContact O-N 2.8Å; M447-L450 PolarHBondContact O-N 2.76Å; M447-Q451 WeakPolarHBondContact O-CB 3.32Å; M447-Q451 WeakPolarHBondContact O-CG 3.36Å; M447-Q451 PolarHBondContact O-N 2.85Å; M447-L520 WeakPolarHBondContact CE-O 3.49Å; M447-L523 HydrophobicContact CE-CB 3.62Å; M447-L523 HydrophobicContact CE-CD2 3.89Å; M447-L523 HydrophobicContact CE-CG 3.77Å; M447-L523 HydrophobicContact SD-CD2 4.14Å; M447-L523 HydrophobicContact SD-CG 4.27Å; M447-N524 HydrophobicContact CE-CB 3.68Å; M447-N524 VanDerWaalsContact CE-N 3.26Å; M447-L527 HydrophobicContact SD-CD2 4.1Å; M447-V614 HydrophobicContact CG-CG2 4.01Å; M447-V614 HydrophobicContact SD-CG2 4.48Å
448	E	93.3	Very high	94.3	Very high	65 Å²	65	35.7 Å²	35.7	30%	0.304	16%	0.164	S	C	.	.	H	α-helix	trans	-61.1	-42.5	173.2	-77.6	-59.6	132.7	0	0	112	H444 W445 L450 Q451 A452	H444-E448 PolarHBondContact O-N 3.16Å; W445-E448 PolarHBondContact O-N 3.49Å; E448-L450 PolarHBondContact O-N 2.85Å; E448-Q451 PolarHBondContact O-N 2.75Å; E448-A452 WeakPolarHBondContact O-CB 3.3Å; E448-A452 PolarHBondContact O-N 3.11Å
449	V	93	Very high	94.2	Very high	48 Å²	48	41.4 Å²	41.4	29%	0.291	19%	0.19	S	C	.	.	H	α-helix	trans	-61.7	-43.3	174.5	171.6	0	0	0	0	111.2	L353 W445 V446 M447 A452 T453	L353-V449 HydrophobicContact CD2-CG2 3.92Å; W445-V449 WeakPolarHBondContact O-CG2 3.25Å; W445-V449 PolarHBondContact O-N 2.87Å; V446-V449 PolarHBondContact O-N 3.41Å; M447-V449 PolarHBondContact O-N 2.8Å; V449-A452 PolarHBondContact O-N 2.82Å; V449-T453 PolarHBondContact O-N 3.44Å; V449-T453 PolarHBondContact O-OG1 3.28Å
450	L	93.5	Very high	94	Very high	11 Å²	11	44.8 Å²	44.8	6%	0.058	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-41.5	176.4	-68.4	178.6	0	0	0	111.8	V446 M447 E448 A452 T453 C454 L520 V614 T617 R618 L621	V446-L450 HydrophobicContact CG1-CD1 4.27Å; V446-L450 HydrophobicContact CG1-CG 4.44Å; V446-L450 WeakPolarHBondContact O-CG 3.46Å; V446-L450 PolarHBondContact O-N 2.83Å; M447-L450 PolarHBondContact O-N 2.76Å; E448-L450 PolarHBondContact O-N 2.85Å; L450-A452 PolarHBondContact O-N 2.94Å; L450-T453 CarbonylContact O-C 3.58Å; L450-T453 WeakPolarHBondContact O-CA 3.32Å; L450-T453 WeakPolarHBondContact O-CB 3.47Å; L450-T453 PolarHBondContact O-N 3.24Å; L450-T453 VanDerWaalsContact O-N 3.12Å; L450-C454 PolarHBondContact O-N 3Å; L450-C454 PolarHBondContact O-SG 2.71Å; L450-C454 VanDerWaalsContact O-SG 3.36Å; L450-L520 HydrophobicContact CB-CD1 3.82Å; L450-L520 HydrophobicContact CD1-CD2 4.32Å; L450-V614 HydrophobicContact CD1-CG1 3.84Å; L450-T617 HydrophobicContact CD1-CG2 4.34Å; L450-R618 HydrophobicContact CD1-CB 4.48Å; L450-R618 HydrophobicContact CD2-CB 3.89Å; L450-R618 HydrophobicContact CD2-CG 4.11Å; L450-L621 HydrophobicContact CB-CD1 4.4Å; L450-L621 HydrophobicContact CD2-CD1 4.21Å
451	Q	94.5	Very high	93.8	Very high	22 Å²	22	44.4 Å²	44.4	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-40.3	175.1	-75.6	-168.3	6.9	0	0	112.4	M447 E448 T453 C454 R455 L520 S521	M447-Q451 WeakPolarHBondContact O-CB 3.32Å; M447-Q451 WeakPolarHBondContact O-CG 3.36Å; M447-Q451 PolarHBondContact O-N 2.85Å; E448-Q451 PolarHBondContact O-N 2.75Å; Q451-T453 VanDerWaalsContact C-N 3.28Å; Q451-T453 PolarHBondContact O-N 3.46Å; Q451-C454 PolarHBondContact O-N 2.75Å; Q451-R455 WeakPolarHBondContact O-CG 3.48Å; Q451-R455 PolarHBondContact O-N 3.46Å; Q451-R455 PolarHBondContact O-NE 3.13Å; Q451-L520 HydrophobicContact CG-CB 4.26Å; Q451-L520 HydrophobicContact CG-CD1 4.32Å; Q451-S521 PolarHBondContact NE2-OG 2.79Å
452	A	93.4	Very high	93.6	Very high	27 Å²	27	48.1 Å²	48.1	22%	0.223	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-38.6	172.7	0	0	0	0	0	111.4	E448 V449 L450 R455 R456	E448-A452 WeakPolarHBondContact O-CB 3.3Å; E448-A452 PolarHBondContact O-N 3.11Å; V449-A452 PolarHBondContact O-N 2.82Å; L450-A452 PolarHBondContact O-N 2.94Å; A452-R455 PolarHBondContact O-N 3.06Å; A452-R456 WeakPolarHBondContact O-CG 3.08Å; A452-R456 PolarHBondContact O-N 2.97Å
453	T	92.9	Very high	93.4	Very high	53 Å²	53	52 Å²	52	33%	0.325	25%	0.247	S	C	.	.	H	α-helix	trans	-65.8	-42.7	175.7	-54.5	0	0	0	0	111.9	V449 L450 Q451 R456 T457	V449-T453 PolarHBondContact O-N 3.44Å; V449-T453 PolarHBondContact O-OG1 3.28Å; L450-T453 CarbonylContact O-C 3.58Å; L450-T453 WeakPolarHBondContact O-CA 3.32Å; L450-T453 WeakPolarHBondContact O-CB 3.47Å; L450-T453 PolarHBondContact O-N 3.24Å; L450-T453 VanDerWaalsContact O-N 3.12Å; Q451-T453 VanDerWaalsContact C-N 3.28Å; Q451-T453 PolarHBondContact O-N 3.46Å; T453-R456 PolarHBondContact O-N 2.9Å; T453-T457 WeakPolarHBondContact O-CB 3.32Å; T453-T457 PolarHBondContact O-N 2.97Å; T453-T457 PolarHBondContact O-OG1 3.43Å
454	C	94.6	Very high	93	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.3	-51.8	172.3	-68.4	0	0	0	0	110.9	L450 Q451 R456 T457 L458 I513 Q517 L621	L450-C454 PolarHBondContact O-N 3Å; L450-C454 PolarHBondContact O-SG 2.71Å; L450-C454 VanDerWaalsContact O-SG 3.36Å; Q451-C454 PolarHBondContact O-N 2.75Å; C454-R456 PolarHBondContact O-N 3.34Å; C454-T457 PolarHBondContact O-N 3.27Å; C454-L458 WeakPolarHBondContact O-CB 3.45Å; C454-L458 PolarHBondContact O-N 2.92Å; C454-I513 HydrophobicContact CB-CG2 3.86Å; C454-I513 WeakPolarHBondContact O-CG2 3.41Å; C454-Q517 HydrophobicContact CB-CB 4.3Å; C454-L621 WeakPolarHBondContact SG-CD1 3.31Å; C454-L621 VanDerWaalsContact SG-CD2 3.52Å
455	R	94.8	Very high	92.7	Very high	127 Å²	127	51.4 Å²	51.4	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-55.6	-50.6	-179.3	-76.5	-177.6	-81.2	-171.6	-5.8	111.9	Q451 A452 L458 E459	Q451-R455 WeakPolarHBondContact O-CG 3.48Å; Q451-R455 PolarHBondContact O-N 3.46Å; Q451-R455 PolarHBondContact O-NE 3.13Å; A452-R455 PolarHBondContact O-N 3.06Å; R455-L458 PolarHBondContact O-N 2.93Å; R455-E459 WeakPolarHBondContact O-CB 3.31Å; R455-E459 PolarHBondContact O-N 2.76Å
456	R	93.9	Very high	92.3	Very high	176 Å²	176	55.8 Å²	55.8	66%	0.664	27%	0.273	S	S	*	.	H	α-helix	trans	-62.4	-46.2	178.7	-69.5	175.7	-172.5	170.4	2.6	112.3	A452 T453 C454 L458 E459 V460	A452-R456 WeakPolarHBondContact O-CG 3.08Å; A452-R456 PolarHBondContact O-N 2.97Å; T453-R456 PolarHBondContact O-N 2.9Å; C454-R456 PolarHBondContact O-N 3.34Å; R456-L458 VanDerWaalsContact C-N 3.34Å; R456-L458 PolarHBondContact O-N 3.39Å; R456-E459 PolarHBondContact O-N 3.35Å; R456-V460 WeakPolarHBondContact O-CG2 3.32Å; R456-V460 PolarHBondContact O-N 2.87Å
457	T	92.1	Very high	91.9	Very high	22 Å²	22	61.8 Å²	61.8	14%	0.135	30%	0.296	C	S	.	.	H	α-helix	trans	-66.8	-39.1	-178.1	-49.4	0	0	0	0	111.3	T453 C454 V460 A461 I513 V628	T453-T457 WeakPolarHBondContact O-CB 3.32Å; T453-T457 PolarHBondContact O-N 2.97Å; T453-T457 PolarHBondContact O-OG1 3.43Å; C454-T457 PolarHBondContact O-N 3.27Å; T457-V460 PolarHBondContact O-N 3.46Å; T457-A461 WeakPolarHBondContact O-CB 3.35Å; T457-A461 PolarHBondContact O-N 3.46Å; T457-I513 HydrophobicContact CG2-CD1 3.7Å; T457-V628 HydrophobicContact CG2-CG2 4.39Å
458	L	93.6	Very high	91.4	Very high	11 Å²	11	61.8 Å²	61.8	6%	0.058	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-41.1	176.5	-175.2	61	0	0	0	111.8	C454 R455 R456 A461 R462 S510 I513	C454-L458 WeakPolarHBondContact O-CB 3.45Å; C454-L458 PolarHBondContact O-N 2.92Å; R455-L458 PolarHBondContact O-N 2.93Å; R456-L458 VanDerWaalsContact C-N 3.34Å; R456-L458 PolarHBondContact O-N 3.39Å; L458-A461 PolarHBondContact O-N 3.17Å; L458-R462 HydrophobicContact CD1-CG 4.28Å; L458-R462 HydrophobicContact CG-CG 4.48Å; L458-R462 WeakPolarHBondContact O-CB 3.49Å; L458-R462 VanDerWaalsContact O-CG 3.32Å; L458-R462 WeakPolarHBondContact O-CG 3.33Å; L458-R462 PolarHBondContact O-N 2.96Å; L458-S510 WeakPolarHBondContact CD1-O 3.31Å; L458-I513 HydrophobicContact CB-CG2 3.91Å; L458-I513 HydrophobicContact CD1-CB 4.36Å; L458-I513 HydrophobicContact CD1-CG2 4.47Å
459	E	93.3	Very high	90.9	Very high	131 Å²	131	62 Å²	62	61%	0.612	31%	0.305	S	S	*	.	H	α-helix	trans	-60.6	-46.1	175.1	-176.4	175.3	-169.9	0	0	111.3	R455 R456 R462 T463	R455-E459 WeakPolarHBondContact O-CB 3.31Å; R455-E459 PolarHBondContact O-N 2.76Å; R456-E459 PolarHBondContact O-N 3.35Å; E459-R462 PolarHBondContact O-N 3.1Å; E459-T463 VanDerWaalsContact O-CB 3.32Å; E459-T463 WeakPolarHBondContact O-CB 3.31Å; E459-T463 PolarHBondContact O-N 3.37Å; E459-T463 PolarHBondContact O-OG1 2.93Å
460	V	92.4	Very high	90.2	Very high	71 Å²	71	63 Å²	63	43%	0.43	31%	0.314	S	S	.	.	H	α-helix	trans	-60.1	-48.7	174.7	172.5	0	0	0	0	110.9	R456 T457 R462 T463 S464 V628 N632	R456-V460 WeakPolarHBondContact O-CG2 3.32Å; R456-V460 PolarHBondContact O-N 2.87Å; T457-V460 PolarHBondContact O-N 3.46Å; V460-R462 PolarHBondContact O-N 3.32Å; V460-T463 PolarHBondContact O-N 3.42Å; V460-S464 WeakPolarHBondContact O-CB 3.4Å; V460-S464 PolarHBondContact O-N 2.95Å; V460-S464 PolarHBondContact O-OG 3.4Å; V460-S464 VanDerWaalsContact O-OG 3.08Å; V460-V628 HydrophobicContact CG1-CG1 3.87Å; V460-N632 VanDerWaalsContact CG1-ND2 3.31Å; V460-N632 WeakPolarHBondContact CG1-ND2 3.49Å
461	A	90.8	Very high	89.3	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62	-43.7	-179.2	0	0	0	0	0	112.5	T457 L458 S464 L465 L506 S510 V628	T457-A461 WeakPolarHBondContact O-CB 3.35Å; T457-A461 PolarHBondContact O-N 3.46Å; L458-A461 PolarHBondContact O-N 3.17Å; A461-S464 PolarHBondContact O-N 2.85Å; A461-L465 WeakPolarHBondContact O-CG 3.35Å; A461-L465 PolarHBondContact O-N 3.39Å; A461-L506 HydrophobicContact CB-CD2 4.48Å; A461-S510 WeakPolarHBondContact CB-OG 3.39Å; A461-V628 HydrophobicContact CB-CG1 4.11Å; A461-V628 HydrophobicContact CB-CG2 4.09Å
462	R	91.1	Very high	88.1	Confident	135 Å²	135	65.5 Å²	65.5	51%	0.509	33%	0.331	S	S	.	.	H	α-helix	trans	-67.1	-40.1	177.8	-74.6	178.2	175.7	173.8	0.4	112.5	L458 E459 V460 S464 L465 L466	L458-R462 HydrophobicContact CD1-CG 4.28Å; L458-R462 HydrophobicContact CG-CG 4.48Å; L458-R462 WeakPolarHBondContact O-CB 3.49Å; L458-R462 VanDerWaalsContact O-CG 3.32Å; L458-R462 WeakPolarHBondContact O-CG 3.33Å; L458-R462 PolarHBondContact O-N 2.96Å; E459-R462 PolarHBondContact O-N 3.1Å; V460-R462 PolarHBondContact O-N 3.32Å; R462-S464 VanDerWaalsContact C-N 3.34Å; R462-L465 WeakPolarHBondContact O-CB 3.46Å; R462-L465 PolarHBondContact O-N 3.43Å; R462-L466 WeakPolarHBondContact O-CG 3.36Å; R462-L466 PolarHBondContact O-N 3.05Å
463	T	90.1	Very high	86.5	Confident	83 Å²	83	67 Å²	67	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-43.7	176.7	-56.1	0	0	0	0	110.7	E459 V460 L466 Y467	E459-T463 VanDerWaalsContact O-CB 3.32Å; E459-T463 WeakPolarHBondContact O-CB 3.31Å; E459-T463 PolarHBondContact O-N 3.37Å; E459-T463 PolarHBondContact O-OG1 2.93Å; V460-T463 PolarHBondContact O-N 3.42Å; T463-L466 PolarHBondContact O-N 3.47Å; T463-Y467 PolarHBondContact O-N 2.75Å
464	S	87.7	Confident	84.7	Confident	22 Å²	22	69.7 Å²	69.7	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-39.8	175	-63.3	0	0	0	0	113.3	V460 A461 R462 Y467 L468 N632	V460-S464 WeakPolarHBondContact O-CB 3.4Å; V460-S464 PolarHBondContact O-N 2.95Å; V460-S464 PolarHBondContact O-OG 3.4Å; V460-S464 VanDerWaalsContact O-OG 3.08Å; A461-S464 PolarHBondContact O-N 2.85Å; R462-S464 VanDerWaalsContact C-N 3.34Å; S464-Y467 PolarHBondContact O-N 3.2Å; S464-L468 WeakPolarHBondContact O-CB 3.33Å; S464-L468 WeakPolarHBondContact O-CG 3.25Å; S464-L468 PolarHBondContact O-N 2.97Å; S464-N632 WeakPolarHBondContact CB-OD1 3.39Å; S464-N632 PolarHBondContact OG-ND2 3.38Å; S464-N632 VanDerWaalsContact OG-ND2 3.08Å; S464-N632 PolarHBondContact OG-OD1 3.34Å
465	L	88.4	Confident	82.7	Confident	31 Å²	31	77.9 Å²	77.9	16%	0.162	40%	0.404	C	S	.	.	H	α-helix	trans	-59	-48.8	173.6	-81.8	163.8	0	0	0	111.6	A461 R462 Y467 L468 S469 A503 L506	A461-L465 WeakPolarHBondContact O-CG 3.35Å; A461-L465 PolarHBondContact O-N 3.39Å; R462-L465 WeakPolarHBondContact O-CB 3.46Å; R462-L465 PolarHBondContact O-N 3.43Å; L465-Y467 VanDerWaalsContact C-N 3.29Å; L465-Y467 PolarHBondContact O-N 3.08Å; L465-L468 PolarHBondContact O-N 2.95Å; L465-S469 WeakPolarHBondContact O-CB 3.06Å; L465-S469 PolarHBondContact O-N 3.3Å; L465-S469 PolarHBondContact O-OG 3.14Å; L465-S469 VanDerWaalsContact O-OG 3.05Å; L465-A503 HydrophobicContact CD2-CB 4.2Å; L465-A503 WeakPolarHBondContact CD2-O 3.35Å; L465-L506 HydrophobicContact CD1-CB 4.19Å; L465-L506 HydrophobicContact CD2-CB 3.74Å; L465-L506 HydrophobicContact CG-CB 3.72Å
466	L	86.9	Confident	80.3	Confident	128 Å²	128	83 Å²	83	67%	0.67	42%	0.423	S	S	*	.	H	α-helix	trans	-58.3	-43.3	177.3	-73	166.4	0	0	0	111.5	R462 T463 S469 S470	R462-L466 WeakPolarHBondContact O-CG 3.36Å; R462-L466 PolarHBondContact O-N 3.05Å; T463-L466 PolarHBondContact O-N 3.47Å; L466-S469 PolarHBondContact O-N 2.86Å; L466-S470 PolarHBondContact O-N 3.28Å
467	Y	85	Confident	78	Confident	133 Å²	133	81.5 Å²	81.5	52%	0.522	42%	0.422	S	S	.	.	H	α-helix	trans	-63.3	-45.5	177.7	-172.2	-119.3	0	0	0	112.3	T463 S464 L465 S470 S471 Q639	T463-Y467 PolarHBondContact O-N 2.75Å; S464-Y467 PolarHBondContact O-N 3.2Å; L465-Y467 VanDerWaalsContact C-N 3.29Å; L465-Y467 PolarHBondContact O-N 3.08Å; Y467-S470 PolarHBondContact O-N 2.98Å; Y467-S470 PolarHBondContact O-OG 2.9Å; Y467-S471 PolarHBondContact O-N 2.94Å; Y467-S471 VanDerWaalsContact O-N 3.15Å; Y467-S471 PolarHBondContact O-OG 3.05Å; Y467-S471 VanDerWaalsContact O-OG 3.08Å; Y467-Q639 VanDerWaalsContact CD1-NE2 3.3Å; Y467-Q639 VanDerWaalsContact CE1-CD 3.42Å
468	L	84.7	Confident	75.5	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.005	45%	0.446	C	S	.	.	H	α-helix	trans	-62	-44.1	175.1	-75.8	173.2	0	0	0	112.3	S464 L465 S470 S471 L472 L499 L502 A503 L506 A635	S464-L468 WeakPolarHBondContact O-CB 3.33Å; S464-L468 WeakPolarHBondContact O-CG 3.25Å; S464-L468 PolarHBondContact O-N 2.97Å; L465-L468 PolarHBondContact O-N 2.95Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S470 PolarHBondContact O-N 2.99Å; L468-S471 PolarHBondContact O-N 3.29Å; L468-L472 WeakPolarHBondContact O-CG 3.36Å; L468-L472 PolarHBondContact O-N 3.34Å; L468-L499 HydrophobicContact CD2-CB 4.46Å; L468-L499 HydrophobicContact CD2-CD2 3.62Å; L468-L499 HydrophobicContact CD2-CG 4.5Å; L468-L502 HydrophobicContact CD1-CB 4.45Å; L468-A503 HydrophobicContact CD1-CB 4.19Å; L468-L506 HydrophobicContact CD1-CD1 3.57Å; L468-A635 HydrophobicContact CD1-CB 4.44Å; L468-A635 HydrophobicContact CD2-CB 3.8Å; L468-A635 HydrophobicContact CG-CB 4.43Å
469	S	82.4	Confident	72.9	Confident	70 Å²	70	90.1 Å²	90.1	49%	0.49	48%	0.484	S	S	.	.	H	α-helix	trans	-61.1	-40.5	176.9	-63.2	0	0	0	0	111.9	L465 L466 S471 L472 G473	L465-S469 WeakPolarHBondContact O-CB 3.06Å; L465-S469 PolarHBondContact O-N 3.3Å; L465-S469 PolarHBondContact O-OG 3.14Å; L465-S469 VanDerWaalsContact O-OG 3.05Å; L466-S469 PolarHBondContact O-N 2.86Å; S469-S471 VanDerWaalsContact C-N 3.31Å; S469-S471 PolarHBondContact O-N 3.22Å; S469-L472 PolarHBondContact O-N 3.2Å; S469-G473 PolarHBondContact O-N 3.17Å
470	S	78.9	Confident	70.5	Confident	68 Å²	68	89.9 Å²	89.9	48%	0.476	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-35.7	175.7	74.9	0	0	0	0	113.1	L466 Y467 L468 G473 T474	L466-S470 PolarHBondContact O-N 3.28Å; Y467-S470 PolarHBondContact O-N 2.98Å; Y467-S470 PolarHBondContact O-OG 2.9Å; L468-S470 VanDerWaalsContact C-N 3.33Å; L468-S470 PolarHBondContact O-N 2.99Å; S470-G473 PolarHBondContact O-N 2.73Å; S470-T474 PolarHBondContact O-N 2.71Å; S470-T474 PolarHBondContact O-OG1 3.2Å
471	S	73.1	Confident	68.1	Low	39 Å²	39	91.9 Å²	91.9	27%	0.273	52%	0.515	S	S	.	.	H	α-helix	trans	-74	-29	178.8	-60.1	0	0	0	0	112.7	Y467 L468 S469 Q639	Y467-S471 PolarHBondContact O-N 2.94Å; Y467-S471 VanDerWaalsContact O-N 3.15Å; Y467-S471 PolarHBondContact O-OG 3.05Å; Y467-S471 VanDerWaalsContact O-OG 3.08Å; L468-S471 PolarHBondContact O-N 3.29Å; S469-S471 VanDerWaalsContact C-N 3.31Å; S469-S471 PolarHBondContact O-N 3.22Å; S471-Q639 PolarHBondContact OG-NE2 2.75Å
472	L	70.3	Confident	66.1	Low	47 Å²	47	94.8 Å²	94.8	25%	0.246	55%	0.545	C	S	.	.	H	α-helix	trans	-77.4	-29.1	171.9	-72.1	164.5	0	0	0	111.9	L468 S469 L499 R500	L468-L472 WeakPolarHBondContact O-CG 3.36Å; L468-L472 PolarHBondContact O-N 3.34Å; S469-L472 PolarHBondContact O-N 3.2Å; L472-L499 HydrophobicContact CD2-CB 4.24Å; L472-R500 HydrophobicContact CD1-CG 4.09Å; L472-R500 HydrophobicContact CD2-CG 3.95Å
473	G	59.4	Low	64.1	Low	60 Å²	60	95.2 Å²	95.2	62%	0.619	56%	0.563	S	S	*	*	S	Bend	trans	-83.6	-3.1	-178.8	0	0	0	0	0	115.9	S469 S470 E475	S469-G473 PolarHBondContact O-N 3.17Å; S470-G473 PolarHBondContact O-N 2.73Å; G473-E475 PolarHBondContact O-N 2.97Å
474	T	55.8	Low	62.5	Low	108 Å²	108	94.1 Å²	94.1	66%	0.663	56%	0.557	S	S	*	*			trans	-77.6	53.7	177.9	-15.8	0	0	0	0	111.7	S470 R476	S470-T474 PolarHBondContact O-N 2.71Å; S470-T474 PolarHBondContact O-OG1 3.2Å; T474-R476 PolarHBondContact O-N 3.46Å
475	E	52.1	Low	61.1	Low	173 Å²	173	99.6 Å²	99.6	81%	0.808	58%	0.58	S	S	*	*			trans	-84.4	84.2	168.7	-76.2	-169.5	163	0	0	109.8	G473	G473-E475 PolarHBondContact O-N 2.97Å
476	R	43.9	Very low	59.8	Low	235 Å²	235	105.2 Å²	105.2	89%	0.887	61%	0.609	S	S	*	*			trans	-144.9	76.9	151.5	-71.6	-165.2	-178.5	176.6	2.8	109.2	T474 S478	T474-R476 PolarHBondContact O-N 3.46Å; R476-S478 PolarHBondContact O-N 3.44Å
477	F	45.8	Very low	58.6	Low	143 Å²	143	106.8 Å²	106.8	63%	0.627	61%	0.613	S	S	*	*			trans	-70.3	87.3	148	-79	-82.8	0	0	0	106	S479	F477-S479 PolarHBondContact O-N 2.77Å
478	S	39.4	Very low	57.5	Low	92 Å²	92	103.1 Å²	103.1	64%	0.643	60%	0.6	S	S	*	*			trans	-56.6	123.2	161	47.4	0	0	0	0	107	R476 V480	R476-S478 PolarHBondContact O-N 3.44Å; S478-V480 PolarHBondContact O-N 2.89Å
479	S	39.2	Very low	56.7	Low	123 Å²	123	107.3 Å²	107.3	86%	0.86	62%	0.622	S	S	*	*			trans	-40.3	99.2	174	55.4	0	0	0	0	112	F477	F477-S479 PolarHBondContact O-N 2.77Å
480	V	42.3	Very low	56.2	Low	126 Å²	126	111.6 Å²	111.6	76%	0.764	63%	0.632	S	S	*	*			trans	-122.7	127.7	162.4	-179.1	0	0	0	0	106.7	S478 G482	S478-V480 PolarHBondContact O-N 2.89Å; V480-G482 PolarHBondContact O-N 3.5Å; V480-G482 VanDerWaalsContact O-N 3.13Å
481	A	41.9	Very low	56	Low	113 Å²	113	109.9 Å²	109.9	93%	0.934	62%	0.622	S	S	*	*	S	Bend	trans	-65.2	105	-169	0	0	0	0	0	111.7
482	G	49.7	Very low	56	Low	60 Å²	60	108.3 Å²	108.3	62%	0.619	61%	0.611	S	S	*	*			trans	-177.2	116.6	166.6	0	0	0	0	0	107.7	V480 P484	V480-G482 PolarHBondContact O-N 3.5Å; V480-G482 VanDerWaalsContact O-N 3.13Å; G482-P484 WeakPolarHBondContact O-CD 3.48Å
483	T	49.3	Very low	56.4	Low	145 Å²	145	108.7 Å²	108.7	89%	0.89	62%	0.621	S	S	*	*			trans	-64.9	114.4	176.4	35.9	0	0	0	0	108.8
484	P	55.7	Low	57.5	Low	60 Å²	60	110.7 Å²	110.7	39%	0.39	61%	0.614	S	S	.	*			trans	-63.1	144.8	175.4	-15.5	29.5	0	0	0	109.7	G482 I486 L489 L649	G482-P484 WeakPolarHBondContact O-CD 3.48Å; P484-I486 PolarHBondContact O-N 3.35Å; P484-L489 HydrophobicContact CB-CD1 3.74Å; P484-L489 HydrophobicContact CB-CG 4Å; P484-L489 HydrophobicContact CG-CD1 3.97Å; P484-L489 HydrophobicContact CG-CG 4.39Å; P484-L649 HydrophobicContact CB-CD2 3.77Å
485	E	58.9	Low	58.7	Low	137 Å²	137	106.7 Å²	106.7	64%	0.64	59%	0.589	S	S	*	*			trans	-58.9	131.1	171.3	-74.9	-171.6	163.8	0	0	109.6	Q487 E488 L489	E485-Q487 PolarHBondContact O-N 3.38Å; E485-E488 HydrophobicContact CB-CG 4.48Å; E485-E488 PolarHBondContact O-N 2.88Å; E485-L489 PolarHBondContact O-N 2.99Å
486	I	61.6	Low	60.2	Low	149 Å²	149	102.4 Å²	102.4	76%	0.764	57%	0.565	S	S	*	*	H	α-helix	trans	-52.9	-29.3	-176.6	-67.8	170.2	0	0	0	111.7	P484 K490	P484-I486 PolarHBondContact O-N 3.35Å; I486-K490 WeakPolarHBondContact O-CB 3.34Å; I486-K490 PolarHBondContact O-N 3.33Å
487	Q	61.3	Low	62.2	Low	160 Å²	160	94 Å²	94	75%	0.748	54%	0.542	S	S	*	.	H	α-helix	trans	-71	-38.7	-178.9	-139.2	164.3	-8.7	0	0	112.7	E485 K490 A491	E485-Q487 PolarHBondContact O-N 3.38Å; Q487-K490 PolarHBondContact O-N 3.03Å; Q487-A491 PolarHBondContact O-N 3.39Å
488	E	62.5	Low	64.1	Low	56 Å²	56	92.7 Å²	92.7	26%	0.262	53%	0.533	S	S	.	.	H	α-helix	trans	-72.7	-37.8	177.9	-65.4	-168.1	143.6	0	0	112.3	E485 K490 A491 A492 L649	E485-E488 HydrophobicContact CB-CG 4.48Å; E485-E488 PolarHBondContact O-N 2.88Å; E488-K490 VanDerWaalsContact C-N 3.29Å; E488-K490 PolarHBondContact O-N 2.9Å; E488-A491 PolarHBondContact O-N 2.95Å; E488-A492 WeakPolarHBondContact O-CB 3.49Å; E488-A492 PolarHBondContact O-N 2.78Å; E488-L649 HydrophobicContact CB-CD2 4.29Å; E488-L649 WeakPolarHBondContact OE2-CD2 3.15Å
489	L	66.1	Low	66.3	Low	90 Å²	90	88.5 Å²	88.5	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-60.5	-40.1	171.9	-88.1	160.1	0	0	0	111.7	P484 E485 A493	P484-L489 HydrophobicContact CB-CD1 3.74Å; P484-L489 HydrophobicContact CB-CG 4Å; P484-L489 HydrophobicContact CG-CD1 3.97Å; P484-L489 HydrophobicContact CG-CG 4.39Å; E485-L489 PolarHBondContact O-N 2.99Å; L489-A493 WeakPolarHBondContact O-CB 3.49Å; L489-A493 PolarHBondContact O-N 3.3Å
490	K	73.8	Confident	68.6	Low	160 Å²	160	89 Å²	89	70%	0.696	49%	0.486	S	S	*	.	H	α-helix	trans	-67.9	-43.2	177.5	-167.3	177.2	-179.9	-178.1	0	111.8	I486 Q487 E488 A493 E494	I486-K490 WeakPolarHBondContact O-CB 3.34Å; I486-K490 PolarHBondContact O-N 3.33Å; Q487-K490 PolarHBondContact O-N 3.03Å; E488-K490 VanDerWaalsContact C-N 3.29Å; E488-K490 PolarHBondContact O-N 2.9Å; K490-A493 PolarHBondContact O-N 3.23Å; K490-E494 PolarHBondContact O-N 3.05Å
491	A	74.8	Confident	70.9	Confident	31 Å²	31	86.6 Å²	86.6	26%	0.256	47%	0.472	S	S	.	.	H	α-helix	trans	-62.8	-43.7	175.8	0	0	0	0	0	112.2	Q487 E488 A493 E494 L495	Q487-A491 PolarHBondContact O-N 3.39Å; E488-A491 PolarHBondContact O-N 2.95Å; A491-A493 VanDerWaalsContact C-N 3.35Å; A491-A493 PolarHBondContact O-N 2.98Å; A491-E494 PolarHBondContact O-N 3.36Å; A491-L495 WeakPolarHBondContact O-CG 2.8Å; A491-L495 PolarHBondContact O-N 3.44Å
492	A	72.7	Confident	73.2	Confident	6 Å²	6	81.7 Å²	81.7	5%	0.05	43%	0.431	C	S	.	.	H	α-helix	trans	-64.9	-36.7	175.9	0	0	0	0	0	112.7	E488 R496	E488-A492 WeakPolarHBondContact O-CB 3.49Å; E488-A492 PolarHBondContact O-N 2.78Å; A492-R496 WeakPolarHBondContact O-CB 2.98Å; A492-R496 VanDerWaalsContact O-CG 3.32Å; A492-R496 WeakPolarHBondContact O-CG 3.2Å; A492-R496 PolarHBondContact O-N 3.06Å
493	A	78.1	Confident	75.1	Confident	55 Å²	55	79.6 Å²	79.6	46%	0.455	41%	0.407	S	S	.	.	H	α-helix	trans	-66	-40	174.8	0	0	0	0	0	112.2	L489 K490 A491 R496 S497	L489-A493 WeakPolarHBondContact O-CB 3.49Å; L489-A493 PolarHBondContact O-N 3.3Å; K490-A493 PolarHBondContact O-N 3.23Å; A491-A493 VanDerWaalsContact C-N 3.35Å; A491-A493 PolarHBondContact O-N 2.98Å; A493-R496 PolarHBondContact O-N 3.44Å; A493-S497 PolarHBondContact O-N 3.45Å
494	E	82.9	Confident	77	Confident	102 Å²	102	79.1 Å²	79.1	48%	0.477	40%	0.395	S	S	.	.	H	α-helix	trans	-65.2	-46	176.1	-168.1	-178.4	157	0	0	111.7	K490 A491 R496 S497 R498	K490-E494 PolarHBondContact O-N 3.05Å; A491-E494 PolarHBondContact O-N 3.36Å; E494-R496 VanDerWaalsContact C-N 3.33Å; E494-R496 PolarHBondContact O-N 2.79Å; E494-S497 WeakPolarHBondContact O-CB 3.21Å; E494-S497 PolarHBondContact O-N 3.14Å; E494-S497 VanDerWaalsContact O-N 3.13Å; E494-R498 WeakPolarHBondContact O-CG 3.44Å; E494-R498 PolarHBondContact O-N 3.46Å; E494-R498 IonicContact OE1-CZ 3.58Å; E494-R498 IonicContact OE1-NE 3.63Å; E494-R498 IonicContact OE1-NH2 2.77Å; E494-R498 PolarHBondContact OE1-NH2 2.91Å
495	L	81.4	Confident	78.7	Confident	24 Å²	24	78 Å²	78	13%	0.126	39%	0.386	C	S	.	.	H	α-helix	trans	-60.7	-41.5	176.2	-68.7	168.7	0	0	0	111.6	A491 R498 L499 V638 L642	A491-L495 WeakPolarHBondContact O-CG 2.8Å; A491-L495 PolarHBondContact O-N 3.44Å; L495-R498 PolarHBondContact O-N 3.02Å; L495-L499 PolarHBondContact O-N 2.97Å; L495-V638 HydrophobicContact CB-CG1 4.15Å; L495-V638 HydrophobicContact CD2-CG1 3.95Å; L495-L642 HydrophobicContact CB-CD1 3.71Å; L495-L642 HydrophobicContact CB-CD2 4.44Å; L495-L642 HydrophobicContact CB-CG 3.75Å; L495-L642 HydrophobicContact CD1-CG 4.05Å
496	R	82.1	Confident	80.3	Confident	83 Å²	83	71.4 Å²	71.4	31%	0.313	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-38.3	173.6	-75.3	178.8	-177.9	126.1	0.4	112.7	A492 A493 E494 R498 L499 R500 L642	A492-R496 WeakPolarHBondContact O-CB 2.98Å; A492-R496 VanDerWaalsContact O-CG 3.32Å; A492-R496 WeakPolarHBondContact O-CG 3.2Å; A492-R496 PolarHBondContact O-N 3.06Å; A493-R496 PolarHBondContact O-N 3.44Å; E494-R496 VanDerWaalsContact C-N 3.33Å; E494-R496 PolarHBondContact O-N 2.79Å; R496-R498 VanDerWaalsContact C-N 3.32Å; R496-L499 PolarHBondContact O-N 3.4Å; R496-R500 PolarHBondContact O-N 2.85Å; R496-R500 VanDerWaalsContact O-N 3.09Å; R496-L642 HydrophobicContact CG-CD1 4.42Å; R496-L642 HydrophobicContact CG-CD2 4.2Å
497	S	86.1	Confident	81.8	Confident	58 Å²	58	67.5 Å²	67.5	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-60.4	-44.2	174	-167	0	0	0	0	111.1	A493 E494 R500 T501	A493-S497 PolarHBondContact O-N 3.45Å; E494-S497 WeakPolarHBondContact O-CB 3.21Å; E494-S497 PolarHBondContact O-N 3.14Å; E494-S497 VanDerWaalsContact O-N 3.13Å; S497-R500 PolarHBondContact O-N 3Å; S497-T501 PolarHBondContact O-N 3.31Å; S497-T501 VanDerWaalsContact O-N 3.12Å; S497-T501 PolarHBondContact O-OG1 3Å
498	R	86.7	Confident	83.3	Confident	117 Å²	117	67.2 Å²	67.2	44%	0.442	33%	0.334	S	S	.	.	H	α-helix	trans	-61.3	-43.2	175.7	-67.7	-178.7	-171.3	-166.3	3.8	112.2	E494 L495 R496 R500 T501 L502	E494-R498 WeakPolarHBondContact O-CG 3.44Å; E494-R498 PolarHBondContact O-N 3.46Å; E494-R498 IonicContact OE1-CZ 3.58Å; E494-R498 IonicContact OE1-NE 3.63Å; E494-R498 IonicContact OE1-NH2 2.77Å; E494-R498 PolarHBondContact OE1-NH2 2.91Å; L495-R498 PolarHBondContact O-N 3.02Å; R496-R498 VanDerWaalsContact C-N 3.32Å; R498-R500 VanDerWaalsContact C-N 3.31Å; R498-R500 PolarHBondContact O-N 2.86Å; R498-T501 PolarHBondContact O-N 3.31Å; R498-L502 WeakPolarHBondContact O-CG 3.34Å; R498-L502 PolarHBondContact O-N 3.47Å
499	L	85.9	Confident	84.7	Confident	3 Å²	3	65 Å²	65	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-60.2	-37.7	175.2	-69.6	-179.3	0	0	0	112.8	L468 L472 L495 R496 L502 A503 V638 Q639 L642	L468-L499 HydrophobicContact CD2-CB 4.46Å; L468-L499 HydrophobicContact CD2-CD2 3.62Å; L468-L499 HydrophobicContact CD2-CG 4.5Å; L472-L499 HydrophobicContact CD2-CB 4.24Å; L495-L499 PolarHBondContact O-N 2.97Å; R496-L499 PolarHBondContact O-N 3.4Å; L499-L502 PolarHBondContact O-N 3.45Å; L499-A503 PolarHBondContact O-N 3.26Å; L499-V638 HydrophobicContact CD1-CG1 4.35Å; L499-V638 HydrophobicContact CD2-CB 3.83Å; L499-V638 HydrophobicContact CD2-CG1 3.51Å; L499-V638 HydrophobicContact CG-CB 4.48Å; L499-V638 HydrophobicContact CG-CG1 3.61Å; L499-Q639 HydrophobicContact CD1-CG 4.3Å; L499-Q639 HydrophobicContact CD2-CG 4.16Å; L499-L642 HydrophobicContact CD1-CD1 3.36Å; L499-L642 HydrophobicContact CG-CD1 4.15Å
500	R	87.3	Confident	85.9	Confident	133 Å²	133	61.2 Å²	61.2	50%	0.502	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-44.9	174.4	-68.5	-173.5	-153.9	114.4	-0.1	111.7	L472 R496 S497 R498 L502 A503 E504	L472-R500 HydrophobicContact CD1-CG 4.09Å; L472-R500 HydrophobicContact CD2-CG 3.95Å; R496-R500 PolarHBondContact O-N 2.85Å; R496-R500 VanDerWaalsContact O-N 3.09Å; S497-R500 PolarHBondContact O-N 3Å; R498-R500 VanDerWaalsContact C-N 3.31Å; R498-R500 PolarHBondContact O-N 2.86Å; R500-L502 VanDerWaalsContact C-N 3.32Å; R500-L502 PolarHBondContact O-N 3.25Å; R500-A503 WeakPolarHBondContact O-CB 3.39Å; R500-A503 PolarHBondContact O-N 2.88Å; R500-A503 VanDerWaalsContact O-N 3.16Å; R500-E504 PolarHBondContact O-N 3.49Å
501	T	89.9	Confident	86.8	Confident	76 Å²	76	59 Å²	59	47%	0.466	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-42.3	176.7	-53	0	0	0	0	111.6	S497 R498 A503 E504 V505	S497-T501 PolarHBondContact O-N 3.31Å; S497-T501 VanDerWaalsContact O-N 3.12Å; S497-T501 PolarHBondContact O-OG1 3Å; R498-T501 PolarHBondContact O-N 3.31Å; T501-A503 VanDerWaalsContact C-N 3.35Å; T501-A503 PolarHBondContact O-N 3.5Å; T501-E504 PolarHBondContact O-N 2.82Å; T501-V505 WeakPolarHBondContact O-CG2 3.43Å; T501-V505 PolarHBondContact O-N 2.97Å; T501-V505 VanDerWaalsContact O-N 3.07Å
502	L	90.2	Very high	87.7	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-39.5	175.5	-69.1	173	0	0	0	112.3	L468 R498 L499 R500 V505 L506 C631 E634 A635	L468-L502 HydrophobicContact CD1-CB 4.45Å; R498-L502 WeakPolarHBondContact O-CG 3.34Å; R498-L502 PolarHBondContact O-N 3.47Å; L499-L502 PolarHBondContact O-N 3.45Å; R500-L502 VanDerWaalsContact C-N 3.32Å; R500-L502 PolarHBondContact O-N 3.25Å; L502-V505 PolarHBondContact O-N 2.98Å; L502-L506 WeakPolarHBondContact O-CG 3.33Å; L502-L506 PolarHBondContact O-N 3.47Å; L502-C631 HydrophobicContact CD2-CB 4.3Å; L502-E634 HydrophobicContact CD1-CB 4.2Å; L502-E634 HydrophobicContact CD1-CG 4.03Å; L502-E634 HydrophobicContact CD2-CB 4.39Å; L502-E634 HydrophobicContact CD2-CG 4.44Å; L502-A635 HydrophobicContact CD1-CB 4.17Å
503	A	89	Confident	88.7	Confident	15 Å²	15	59.6 Å²	59.6	12%	0.124	30%	0.296	C	S	.	.	H	α-helix	trans	-63.8	-41.5	174.9	0	0	0	0	0	112	L465 L468 L499 R500 T501 V505 L506 S507	L465-A503 HydrophobicContact CD2-CB 4.2Å; L465-A503 WeakPolarHBondContact CD2-O 3.35Å; L468-A503 HydrophobicContact CD1-CB 4.19Å; L499-A503 PolarHBondContact O-N 3.26Å; R500-A503 WeakPolarHBondContact O-CB 3.39Å; R500-A503 PolarHBondContact O-N 2.88Å; R500-A503 VanDerWaalsContact O-N 3.16Å; T501-A503 VanDerWaalsContact C-N 3.35Å; T501-A503 PolarHBondContact O-N 3.5Å; A503-V505 VanDerWaalsContact C-N 3.33Å; A503-V505 PolarHBondContact O-N 2.95Å; A503-L506 PolarHBondContact O-N 2.86Å; A503-S507 WeakPolarHBondContact O-CB 3.35Å; A503-S507 PolarHBondContact O-N 3.15Å
504	E	90.5	Very high	89.4	Confident	136 Å²	136	58.9 Å²	58.9	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-60.8	-42.5	174.8	-71.8	172	-174.9	0	0	111.9	R500 T501 S507 R508	R500-E504 PolarHBondContact O-N 3.49Å; T501-E504 PolarHBondContact O-N 2.82Å; E504-S507 PolarHBondContact O-N 2.87Å; E504-R508 PolarHBondContact O-N 3.47Å
505	V	91.3	Very high	89.9	Confident	35 Å²	35	58.7 Å²	58.7	21%	0.212	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-48	176.7	174.5	0	0	0	0	111.1	T501 L502 A503 S507 R508 C509 C631	T501-V505 WeakPolarHBondContact O-CG2 3.43Å; T501-V505 PolarHBondContact O-N 2.97Å; T501-V505 VanDerWaalsContact O-N 3.07Å; L502-V505 PolarHBondContact O-N 2.98Å; A503-V505 VanDerWaalsContact C-N 3.33Å; A503-V505 PolarHBondContact O-N 2.95Å; V505-S507 VanDerWaalsContact C-N 3.31Å; V505-S507 PolarHBondContact O-N 3.04Å; V505-R508 PolarHBondContact O-N 2.96Å; V505-C509 PolarHBondContact O-N 3.15Å; V505-C509 PolarHBondContact O-SG 2.9Å; V505-C509 VanDerWaalsContact O-SG 3.34Å; V505-C631 VanDerWaalsContact CG1-SG 3.52Å
506	L	91.6	Very high	90.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-34.9	178.3	-74.3	170.2	0	0	0	112.8	A461 L465 L468 L502 A503 C509 S510 V628 C631	A461-L506 HydrophobicContact CB-CD2 4.48Å; L465-L506 HydrophobicContact CD1-CB 4.19Å; L465-L506 HydrophobicContact CD2-CB 3.74Å; L465-L506 HydrophobicContact CG-CB 3.72Å; L468-L506 HydrophobicContact CD1-CD1 3.57Å; L502-L506 WeakPolarHBondContact O-CG 3.33Å; L502-L506 PolarHBondContact O-N 3.47Å; A503-L506 PolarHBondContact O-N 2.86Å; L506-C509 PolarHBondContact O-N 3.45Å; L506-S510 WeakPolarHBondContact O-CB 3.41Å; L506-S510 PolarHBondContact O-N 2.53Å; L506-S510 PolarHBondContact O-OG 3.14Å; L506-V628 HydrophobicContact CD2-CB 4.33Å; L506-V628 HydrophobicContact CD2-CG1 4.06Å; L506-V628 HydrophobicContact CD2-CG2 4.18Å; L506-C631 HydrophobicContact CD1-CB 4.41Å; L506-C631 HydrophobicContact CD2-CB 3.88Å; L506-C631 HydrophobicContact CG-CB 3.99Å
507	S	92.7	Very high	91	Very high	66 Å²	66	56.8 Å²	56.8	46%	0.462	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-47.9	174.8	-174.3	0	0	0	0	110.8	A503 E504 V505 C509 S510 Q511	A503-S507 WeakPolarHBondContact O-CB 3.35Å; A503-S507 PolarHBondContact O-N 3.15Å; E504-S507 PolarHBondContact O-N 2.87Å; V505-S507 VanDerWaalsContact C-N 3.31Å; V505-S507 PolarHBondContact O-N 3.04Å; S507-C509 PolarHBondContact O-N 3.4Å; S507-S510 WeakPolarHBondContact O-CB 3.48Å; S507-S510 PolarHBondContact O-N 2.94Å; S507-S510 VanDerWaalsContact O-N 3.16Å; S507-Q511 PolarHBondContact O-N 3.33Å
508	R	92.6	Very high	91.3	Very high	154 Å²	154	60.1 Å²	60.1	58%	0.581	29%	0.289	S	S	*	.	H	α-helix	trans	-61.8	-41.9	175.2	-175.6	174.8	60.1	-168.3	-3.4	112	E504 V505 S510 Q511 N512	E504-R508 PolarHBondContact O-N 3.47Å; V505-R508 PolarHBondContact O-N 2.96Å; R508-S510 VanDerWaalsContact C-N 3.32Å; R508-S510 PolarHBondContact O-N 2.8Å; R508-Q511 PolarHBondContact O-N 3.26Å; R508-N512 PolarHBondContact O-N 2.86Å; R508-N512 PolarHBondContact O-OD1 3.24Å
509	C	92.4	Very high	91.6	Very high	9 Å²	9	57.6 Å²	57.6	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-43.9	173.4	-72.6	0	0	0	0	111.7	V505 L506 S507 Q511 N512 I513 V624 V628	V505-C509 PolarHBondContact O-N 3.15Å; V505-C509 PolarHBondContact O-SG 2.9Å; V505-C509 VanDerWaalsContact O-SG 3.34Å; L506-C509 PolarHBondContact O-N 3.45Å; S507-C509 PolarHBondContact O-N 3.4Å; C509-Q511 PolarHBondContact O-N 2.99Å; C509-N512 PolarHBondContact O-N 3.24Å; C509-I513 WeakPolarHBondContact O-CD1 3.2Å; C509-I513 WeakPolarHBondContact O-CG1 3.19Å; C509-I513 PolarHBondContact O-N 3.42Å; C509-V624 HydrophobicContact CB-CG1 4Å; C509-V628 HydrophobicContact CB-CG2 3.89Å
510	S	92.7	Very high	92	Very high	11 Å²	11	57.4 Å²	57.4	8%	0.077	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-40.9	178.9	-61.3	0	0	0	0	112.4	L458 A461 L506 S507 R508 T514	L458-S510 WeakPolarHBondContact CD1-O 3.31Å; A461-S510 WeakPolarHBondContact CB-OG 3.39Å; L506-S510 WeakPolarHBondContact O-CB 3.41Å; L506-S510 PolarHBondContact O-N 2.53Å; L506-S510 PolarHBondContact O-OG 3.14Å; S507-S510 WeakPolarHBondContact O-CB 3.48Å; S507-S510 PolarHBondContact O-N 2.94Å; S507-S510 VanDerWaalsContact O-N 3.16Å; R508-S510 VanDerWaalsContact C-N 3.32Å; R508-S510 PolarHBondContact O-N 2.8Å; S510-T514 PolarHBondContact O-N 2.82Å; S510-T514 VanDerWaalsContact O-N 3.12Å; S510-T514 PolarHBondContact O-OG1 3.37Å
511	Q	92.9	Very high	92.3	Very high	114 Å²	114	52.8 Å²	52.8	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-49.9	175	-175.4	176.1	-12	0	0	111.3	S507 R508 C509 I513 T514 E515	S507-Q511 PolarHBondContact O-N 3.33Å; R508-Q511 PolarHBondContact O-N 3.26Å; C509-Q511 PolarHBondContact O-N 2.99Å; Q511-I513 VanDerWaalsContact C-N 3.29Å; Q511-I513 PolarHBondContact O-N 3.39Å; Q511-T514 WeakPolarHBondContact O-CA 3.19Å; Q511-T514 WeakPolarHBondContact O-CB 3.26Å; Q511-T514 PolarHBondContact O-N 3.29Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.34Å; Q511-E515 PolarHBondContact NE2-OE1 2.9Å; Q511-E515 PolarHBondContact O-N 2.66Å
512	N	92.8	Very high	92.5	Very high	50 Å²	50	51.2 Å²	51.2	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-57.6	-40.2	178.4	-68	-3.7	0	0	0	112.5	R508 C509 T514 T516	R508-N512 PolarHBondContact O-N 2.86Å; R508-N512 PolarHBondContact O-OD1 3.24Å; C509-N512 PolarHBondContact O-N 3.24Å; N512-T514 VanDerWaalsContact C-N 3.33Å; N512-T516 WeakPolarHBondContact O-CB 3.41Å; N512-T516 PolarHBondContact O-N 3.44Å; N512-T516 PolarHBondContact O-OG1 3.18Å
513	I	93.6	Very high	92.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.5	-39	176.7	-63.8	159.7	0	0	0	110.8	C454 T457 L458 C509 Q511 T516 Q517 V624	C454-I513 HydrophobicContact CB-CG2 3.86Å; C454-I513 WeakPolarHBondContact O-CG2 3.41Å; T457-I513 HydrophobicContact CG2-CD1 3.7Å; L458-I513 HydrophobicContact CB-CG2 3.91Å; L458-I513 HydrophobicContact CD1-CB 4.36Å; L458-I513 HydrophobicContact CD1-CG2 4.47Å; C509-I513 WeakPolarHBondContact O-CD1 3.2Å; C509-I513 WeakPolarHBondContact O-CG1 3.19Å; C509-I513 PolarHBondContact O-N 3.42Å; Q511-I513 VanDerWaalsContact C-N 3.29Å; Q511-I513 PolarHBondContact O-N 3.39Å; I513-T516 WeakPolarHBondContact O-CB 3.36Å; I513-T516 PolarHBondContact O-N 3.16Å; I513-Q517 WeakPolarHBondContact O-CB 3.27Å; I513-Q517 PolarHBondContact O-N 2.88Å; I513-V624 HydrophobicContact CD1-CG1 3.78Å; I513-V624 HydrophobicContact CG1-CG1 3.7Å
514	T	93.8	Very high	92.8	Very high	40 Å²	40	52 Å²	52	25%	0.245	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-47.3	179	-53.7	0	0	0	0	110.8	S510 Q511 N512 T516 Q517 E518	S510-T514 PolarHBondContact O-N 2.82Å; S510-T514 VanDerWaalsContact O-N 3.12Å; S510-T514 PolarHBondContact O-OG1 3.37Å; Q511-T514 WeakPolarHBondContact O-CA 3.19Å; Q511-T514 WeakPolarHBondContact O-CB 3.26Å; Q511-T514 PolarHBondContact O-N 3.29Å; N512-T514 VanDerWaalsContact C-N 3.33Å; T514-T516 VanDerWaalsContact C-N 3.3Å; T514-T516 PolarHBondContact O-N 3.11Å; T514-Q517 WeakPolarHBondContact O-CB 3.45Å; T514-Q517 PolarHBondContact O-N 3.41Å; T514-Q517 VanDerWaalsContact O-N 3.12Å; T514-E518 PolarHBondContact O-N 3.13Å
515	E	93.1	Very high	93	Very high	98 Å²	98	53.2 Å²	53.2	46%	0.458	27%	0.269	S	S	.	.	H	α-helix	trans	-59.3	-41.6	175.1	-68.4	172.7	-170	0	0	111.5	Q511 Q517 E518 S519	Q511-E515 WeakPolarHBondContact CG-OE1 3.34Å; Q511-E515 PolarHBondContact NE2-OE1 2.9Å; Q511-E515 PolarHBondContact O-N 2.66Å; E515-Q517 VanDerWaalsContact C-N 3.35Å; E515-Q517 PolarHBondContact O-N 3.01Å; E515-E518 PolarHBondContact O-N 3.01Å; E515-S519 PolarHBondContact O-N 3.38Å
516	T	92.6	Very high	93	Very high	18 Å²	18	56.6 Å²	56.6	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-42.3	175.3	-59.5	0	0	0	0	111.7	N512 I513 T514 S519 L520 T617 L621	N512-T516 WeakPolarHBondContact O-CB 3.41Å; N512-T516 PolarHBondContact O-N 3.44Å; N512-T516 PolarHBondContact O-OG1 3.18Å; I513-T516 WeakPolarHBondContact O-CB 3.36Å; I513-T516 PolarHBondContact O-N 3.16Å; T514-T516 VanDerWaalsContact C-N 3.3Å; T514-T516 PolarHBondContact O-N 3.11Å; T516-S519 PolarHBondContact O-N 3.43Å; T516-L520 HydrophobicContact CG2-CD1 4.41Å; T516-L520 WeakPolarHBondContact O-CG 3.12Å; T516-L520 PolarHBondContact O-N 3.4Å; T516-T617 HydrophobicContact CG2-CG2 3.39Å; T516-L621 HydrophobicContact CG2-CD1 4.31Å; T516-L621 HydrophobicContact CG2-CD2 4.07Å; T516-L621 HydrophobicContact CG2-CG 4.15Å
517	Q	93.8	Very high	93.1	Very high	49 Å²	49	56.8 Å²	56.8	23%	0.229	28%	0.284	C	S	.	.	H	α-helix	trans	-65	-39.1	178.6	-173.8	177.5	-4.3	0	0	112.2	C454 I513 T514 E515 S521	C454-Q517 HydrophobicContact CB-CB 4.3Å; I513-Q517 WeakPolarHBondContact O-CB 3.27Å; I513-Q517 PolarHBondContact O-N 2.88Å; T514-Q517 WeakPolarHBondContact O-CB 3.45Å; T514-Q517 PolarHBondContact O-N 3.41Å; T514-Q517 VanDerWaalsContact O-N 3.12Å; E515-Q517 VanDerWaalsContact C-N 3.35Å; E515-Q517 PolarHBondContact O-N 3.01Å; Q517-S521 WeakPolarHBondContact O-CB 3.35Å; Q517-S521 PolarHBondContact O-N 3.21Å; Q517-S521 PolarHBondContact O-OG 3.27Å
518	E	93	Very high	93.1	Very high	128 Å²	128	56.5 Å²	56.5	60%	0.598	28%	0.279	S	S	*	.	H	α-helix	trans	-65.4	-44	175.2	-71.3	179.2	-179.3	0	0	111.8	T514 E515 S521 S522	T514-E518 PolarHBondContact O-N 3.13Å; E515-E518 PolarHBondContact O-N 3.01Å; E518-S521 WeakPolarHBondContact O-CB 3.39Å; E518-S521 PolarHBondContact O-N 3.22Å; E518-S522 PolarHBondContact O-N 2.86Å
519	S	92.9	Very high	93	Very high	63 Å²	63	57 Å²	57	44%	0.441	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-47.8	175.9	-176.5	0	0	0	0	111.9	E515 T516 S521 S522 L523	E515-S519 PolarHBondContact O-N 3.38Å; T516-S519 PolarHBondContact O-N 3.43Å; S519-S521 VanDerWaalsContact C-N 3.31Å; S519-S521 PolarHBondContact O-N 3.13Å; S519-S522 PolarHBondContact O-N 2.99Å; S519-L523 PolarHBondContact O-N 3.47Å
520	L	93.4	Very high	92.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-40.2	174.5	-75.2	174.7	0	0	0	112.3	M447 L450 Q451 T516 S522 L523 N524 T617	M447-L520 WeakPolarHBondContact CE-O 3.49Å; L450-L520 HydrophobicContact CB-CD1 3.82Å; L450-L520 HydrophobicContact CD1-CD2 4.32Å; Q451-L520 HydrophobicContact CG-CB 4.26Å; Q451-L520 HydrophobicContact CG-CD1 4.32Å; T516-L520 HydrophobicContact CG2-CD1 4.41Å; T516-L520 WeakPolarHBondContact O-CG 3.12Å; T516-L520 PolarHBondContact O-N 3.4Å; L520-S522 VanDerWaalsContact C-N 3.34Å; L520-L523 PolarHBondContact O-N 3.09Å; L520-N524 PolarHBondContact O-N 3.37Å; L520-T617 HydrophobicContact CD1-CG2 3.82Å; L520-T617 HydrophobicContact CD2-CG2 3.88Å; L520-T617 HydrophobicContact CG-CG2 3.94Å
521	S	93.6	Very high	92.8	Very high	35 Å²	35	62.7 Å²	62.7	25%	0.245	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-38.7	178.2	-59.3	0	0	0	0	111.8	Q451 Q517 E518 S519 N524 R525	Q451-S521 PolarHBondContact NE2-OG 2.79Å; Q517-S521 WeakPolarHBondContact O-CB 3.35Å; Q517-S521 PolarHBondContact O-N 3.21Å; Q517-S521 PolarHBondContact O-OG 3.27Å; E518-S521 WeakPolarHBondContact O-CB 3.39Å; E518-S521 PolarHBondContact O-N 3.22Å; S519-S521 VanDerWaalsContact C-N 3.31Å; S519-S521 PolarHBondContact O-N 3.13Å; S521-N524 PolarHBondContact O-N 2.79Å; S521-R525 WeakPolarHBondContact O-CG 3.49Å; S521-R525 PolarHBondContact O-N 2.93Å
522	S	93.5	Very high	92.7	Very high	44 Å²	44	61.2 Å²	61.2	31%	0.308	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-47	174.4	-162.8	0	0	0	0	112.1	E518 S519 L520 N524 R525 E526	E518-S522 PolarHBondContact O-N 2.86Å; S519-S522 PolarHBondContact O-N 2.99Å; L520-S522 VanDerWaalsContact C-N 3.34Å; S522-N524 PolarHBondContact O-N 2.87Å; S522-R525 VanDerWaalsContact CA-NH2 3.31Å; S522-R525 PolarHBondContact O-N 3.34Å; S522-R525 PolarHBondContact OG-NH2 2.96Å; S522-E526 PolarHBondContact O-N 3.5Å
523	L	93.1	Very high	92.4	Very high	20 Å²	20	64.9 Å²	64.9	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-35.8	176.3	-169.4	65.3	0	0	0	111.6	M447 S519 L520 E526 L527 R610 V613 V614	M447-L523 HydrophobicContact CE-CB 3.62Å; M447-L523 HydrophobicContact CE-CD2 3.89Å; M447-L523 HydrophobicContact CE-CG 3.77Å; M447-L523 HydrophobicContact SD-CD2 4.14Å; M447-L523 HydrophobicContact SD-CG 4.27Å; S519-L523 PolarHBondContact O-N 3.47Å; L520-L523 PolarHBondContact O-N 3.09Å; L523-E526 PolarHBondContact O-N 3.04Å; L523-L527 WeakPolarHBondContact O-CB 3.34Å; L523-L527 PolarHBondContact O-N 3.22Å; L523-R610 HydrophobicContact CD1-CG 3.97Å; L523-V613 HydrophobicContact CD2-CB 4.39Å; L523-V613 HydrophobicContact CD2-CG1 4.09Å; L523-V614 HydrophobicContact CD2-CG2 4.17Å
524	N	93.7	Very high	92.1	Very high	23 Å²	23	66 Å²	66	12%	0.123	33%	0.328	C	S	.	.	H	α-helix	trans	-69	-40.7	-179.4	-158.8	25.2	0	0	0	111	H444 M447 L520 S521 S522 E526 L527 V528	H444-N524 PolarHBondContact CD2-OD1 2.86Å; M447-N524 HydrophobicContact CE-CB 3.68Å; M447-N524 VanDerWaalsContact CE-N 3.26Å; L520-N524 PolarHBondContact O-N 3.37Å; S521-N524 PolarHBondContact O-N 2.79Å; S522-N524 PolarHBondContact O-N 2.87Å; N524-E526 VanDerWaalsContact C-N 3.32Å; N524-E526 PolarHBondContact O-N 3.03Å; N524-L527 WeakPolarHBondContact O-CB 3.33Å; N524-L527 PolarHBondContact O-N 3.37Å; N524-L527 VanDerWaalsContact O-N 3.17Å; N524-V528 WeakPolarHBondContact O-CG2 3.39Å; N524-V528 PolarHBondContact O-N 3.35Å
525	R	93.3	Very high	91.6	Very high	160 Å²	160	69.6 Å²	69.6	60%	0.604	34%	0.342	S	S	*	.	H	α-helix	trans	-60.4	-42	175.1	-68.9	-173.8	-60.1	-98.4	4.1	111.9	S521 S522 L527 K529	S521-R525 WeakPolarHBondContact O-CG 3.49Å; S521-R525 PolarHBondContact O-N 2.93Å; S522-R525 VanDerWaalsContact CA-NH2 3.31Å; S522-R525 PolarHBondContact O-N 3.34Å; S522-R525 PolarHBondContact OG-NH2 2.96Å; R525-L527 VanDerWaalsContact C-N 3.33Å; R525-K529 PolarHBondContact O-N 2.96Å; R525-K529 VanDerWaalsContact O-N 3.1Å
526	E	92.5	Very high	91.3	Very high	106 Å²	106	71.5 Å²	71.5	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-64.4	-39	175.2	-68.6	178.8	-166.8	0	0	112.4	S522 L523 N524 S530 R610	S522-E526 PolarHBondContact O-N 3.5Å; L523-E526 PolarHBondContact O-N 3.04Å; N524-E526 VanDerWaalsContact C-N 3.32Å; N524-E526 PolarHBondContact O-N 3.03Å; E526-S530 PolarHBondContact O-N 2.86Å; E526-S530 PolarHBondContact O-OG 3.28Å; E526-R610 PolarHBondContact O-NH2 2.79Å
527	L	93.6	Very high	91.1	Very high	4 Å²	4	72.3 Å²	72.3	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-62.3	-49.1	177.3	-171.9	70.5	0	0	0	111.2	F440 L443 H444 M447 L523 N524 R525 K529 S530 R531	F440-L527 HydrophobicContact CB-CD1 4.48Å; F440-L527 HydrophobicContact CD1-CD1 3.6Å; F440-L527 HydrophobicContact CD1-CG 4.48Å; F440-L527 HydrophobicContact CE1-CD1 4.36Å; F440-L527 HydrophobicContact CG-CD1 4.47Å; L443-L527 HydrophobicContact CB-CD1 4.18Å; L443-L527 HydrophobicContact CB-CD2 3.83Å; L443-L527 HydrophobicContact CD1-CD1 3.88Å; H444-L527 HydrophobicContact CB-CD2 3.91Å; M447-L527 HydrophobicContact SD-CD2 4.1Å; L523-L527 WeakPolarHBondContact O-CB 3.34Å; L523-L527 PolarHBondContact O-N 3.22Å; N524-L527 WeakPolarHBondContact O-CB 3.33Å; N524-L527 PolarHBondContact O-N 3.37Å; N524-L527 VanDerWaalsContact O-N 3.17Å; R525-L527 VanDerWaalsContact C-N 3.33Å; L527-K529 PolarHBondContact O-N 3.29Å; L527-S530 WeakPolarHBondContact O-CB 3.36Å; L527-S530 PolarHBondContact O-N 3.39Å; L527-S530 VanDerWaalsContact O-N 3.15Å; L527-R531 PolarHBondContact O-N 3.42Å
528	V	91.6	Very high	91.1	Very high	60 Å²	60	78.9 Å²	78.9	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-59	-48.3	177.9	172.7	0	0	0	0	110.8	N524 S530 R531 D532	N524-V528 WeakPolarHBondContact O-CG2 3.39Å; N524-V528 PolarHBondContact O-N 3.35Å; V528-S530 VanDerWaalsContact C-N 3.25Å; V528-S530 PolarHBondContact O-N 3.35Å; V528-R531 WeakPolarHBondContact O-CB 3.44Å; V528-R531 PolarHBondContact O-N 3.38Å; V528-D532 PolarHBondContact O-N 3.32Å
529	K	90.9	Very high	91.2	Very high	165 Å²	165	72.9 Å²	72.9	72%	0.717	35%	0.35	S	S	*	.	H	α-helix	trans	-57.9	-39	176.4	-173.8	179.6	-180	-178.5	0	112.6	R525 L527 R531 Q533	R525-K529 PolarHBondContact O-N 2.96Å; R525-K529 VanDerWaalsContact O-N 3.1Å; L527-K529 PolarHBondContact O-N 3.29Å; K529-R531 VanDerWaalsContact C-N 3.35Å; K529-Q533 PolarHBondContact O-N 3.42Å
530	S	90.5	Very high	91.4	Very high	38 Å²	38	71.4 Å²	71.4	27%	0.266	34%	0.336	S	S	.	.	H	α-helix	trans	-68.1	-37.1	178.2	-50.7	0	0	0	0	111.8	E526 L527 V528 V534 R610	E526-S530 PolarHBondContact O-N 2.86Å; E526-S530 PolarHBondContact O-OG 3.28Å; L527-S530 WeakPolarHBondContact O-CB 3.36Å; L527-S530 PolarHBondContact O-N 3.39Å; L527-S530 VanDerWaalsContact O-N 3.15Å; V528-S530 VanDerWaalsContact C-N 3.25Å; V528-S530 PolarHBondContact O-N 3.35Å; S530-V534 PolarHBondContact O-N 3.1Å; S530-R610 PolarHBondContact OG-NH1 3.45Å; S530-R610 PolarHBondContact OG-NH2 3.4Å
531	R	91.4	Very high	91.6	Very high	101 Å²	101	76.9 Å²	76.9	38%	0.381	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-47.6	177.2	-179.2	-177.1	179.5	-133.2	-0.8	111.1	E437 F440 L527 V528 K529 Q533 V534 H535	E437-R531 IonicContact OE1-CZ 2.63Å; E437-R531 IonicContact OE1-NE 2.87Å; E437-R531 PolarHBondContact OE1-NE 2.99Å; E437-R531 IonicContact OE1-NH2 3.52Å; E437-R531 PolarHBondContact OE1-NH2 2.96Å; E437-R531 IonicContact OE2-NE 3.35Å; E437-R531 PolarHBondContact OE2-NE 3.47Å; F440-R531 HydrophobicContact CB-CB 4.39Å; F440-R531 HydrophobicContact CB-CG 4.45Å; F440-R531 HydrophobicContact CD2-CB 4.01Å; F440-R531 HydrophobicContact CD2-CG 4.2Å; F440-R531 HydrophobicContact CG-CB 4.22Å; L527-R531 PolarHBondContact O-N 3.42Å; V528-R531 WeakPolarHBondContact O-CB 3.44Å; V528-R531 PolarHBondContact O-N 3.38Å; K529-R531 VanDerWaalsContact C-N 3.35Å; R531-Q533 PolarHBondContact O-N 2.9Å; R531-V534 WeakPolarHBondContact O-CB 3.27Å; R531-V534 PolarHBondContact O-N 3.47Å; R531-H535 PolarHBondContact O-CD2 3.49Å; R531-H535 VanDerWaalsContact O-CD2 3.24Å; R531-H535 PolarHBondContact O-N 3.36Å; R531-H535 VanDerWaalsContact O-N 3.14Å
532	D	89.6	Confident	91.8	Very high	83 Å²	83	78.8 Å²	78.8	44%	0.444	37%	0.367	S	S	.	.	H	α-helix	trans	-58.1	-39.8	179.8	-63.5	-23.4	0	0	0	111.5	V528 V534 H535 E536	V528-D532 PolarHBondContact O-N 3.32Å; D532-V534 VanDerWaalsContact C-N 3.25Å; D532-V534 PolarHBondContact O-N 2.92Å; D532-H535 PolarHBondContact O-N 3.21Å; D532-E536 PolarHBondContact O-N 3.12Å
533	Q	87.1	Confident	92	Very high	128 Å²	128	76.7 Å²	76.7	60%	0.598	35%	0.352	S	S	*	.	H	α-helix	trans	-61.3	-32.6	176.3	-171.6	60.5	77.3	0	0	113.5	K529 R531	K529-Q533 PolarHBondContact O-N 3.42Å; R531-Q533 PolarHBondContact O-N 2.9Å
534	V	86.4	Confident	92.2	Very high	24 Å²	24	78.1 Å²	78.1	15%	0.145	36%	0.358	C	S	.	.	H	α-helix	trans	-77.4	-33.3	178.3	170.5	0	0	0	0	111.4	L433 F440 S530 R531 D532 E536 D537	L433-V534 HydrophobicContact CD1-CG1 3.25Å; F440-V534 HydrophobicContact CE2-CB 4.17Å; F440-V534 HydrophobicContact CE2-CG2 3.78Å; F440-V534 HydrophobicContact CZ-CG2 4.21Å; S530-V534 PolarHBondContact O-N 3.1Å; R531-V534 WeakPolarHBondContact O-CB 3.27Å; R531-V534 PolarHBondContact O-N 3.47Å; D532-V534 VanDerWaalsContact C-N 3.25Å; D532-V534 PolarHBondContact O-N 2.92Å; V534-E536 PolarHBondContact O-N 3.4Å; V534-D537 VanDerWaalsContact O-CB 3.25Å; V534-D537 WeakPolarHBondContact O-CB 3.35Å; V534-D537 PolarHBondContact O-N 2.95Å; V534-D537 VanDerWaalsContact O-N 3.13Å
535	H	83.9	Confident	92.4	Very high	114 Å²	114	79.8 Å²	79.8	53%	0.528	37%	0.371	S	S	.	.	H	α-helix	trans	-65.4	-25.4	173.8	-78.3	-69	0	0	0	113.3	E437 R531 D532 D537	E437-H535 IonicContact OE1-NE2 3Å; E437-H535 IonicContact OE2-CE1 2.85Å; E437-H535 IonicContact OE2-NE2 2.66Å; E437-H535 PolarHBondContact OE2-NE2 2.99Å; R531-H535 PolarHBondContact O-CD2 3.49Å; R531-H535 VanDerWaalsContact O-CD2 3.24Å; R531-H535 PolarHBondContact O-N 3.36Å; R531-H535 VanDerWaalsContact O-N 3.14Å; D532-H535 PolarHBondContact O-N 3.21Å; H535-D537 VanDerWaalsContact C-N 3.31Å
536	E	87.4	Confident	92.6	Very high	138 Å²	138	72.3 Å²	72.3	65%	0.645	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-7	175.1	-66.8	-177.2	167.4	0	0	113.8	D532 V534 R538	D532-E536 PolarHBondContact O-N 3.12Å; V534-E536 PolarHBondContact O-N 3.4Å; E536-R538 PolarHBondContact O-N 3.02Å
537	D	88.5	Confident	92.9	Very high	35 Å²	35	67.3 Å²	67.3	19%	0.187	32%	0.32	C	S	.	.			trans	-67.5	128.5	-175.5	-161.6	-48.1	0	0	0	111.8	V534 H535 S539 K599	V534-D537 VanDerWaalsContact O-CB 3.25Å; V534-D537 WeakPolarHBondContact O-CB 3.35Å; V534-D537 PolarHBondContact O-N 2.95Å; V534-D537 VanDerWaalsContact O-N 3.13Å; H535-D537 VanDerWaalsContact C-N 3.31Å; D537-S539 WeakPolarHBondContact OD1-CB 3.35Å; D537-S539 PolarHBondContact OD1-N 3.37Å; D537-S539 PolarHBondContact OD1-OG 2.86Å; D537-K599 IonicContact OD2-NZ 2.66Å; D537-K599 PolarHBondContact OD2-NZ 3.14Å
538	R	93.5	Very high	93.1	Very high	187 Å²	187	71.1 Å²	71.1	71%	0.706	34%	0.341	S	S	*	.			trans	-109.1	10.5	-178.9	-62	-171.6	179.3	-174.7	1.6	114.1	E536 I540 Q541 Q542	E536-R538 PolarHBondContact O-N 3.02Å; R538-I540 VanDerWaalsContact C-N 3.35Å; R538-I540 PolarHBondContact O-N 3.49Å; R538-Q541 PolarHBondContact O-N 3.01Å; R538-Q541 PolarHBondContact O-OE1 3.44Å; R538-Q542 WeakPolarHBondContact O-CG 3.39Å; R538-Q542 PolarHBondContact O-N 3.29Å
539	S	95.3	Very high	93.4	Very high	3 Å²	3	73.5 Å²	73.5	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-39.2	-172.1	-56	0	0	0	0	112.3	D537 Q541 Q542 I543 E595	D537-S539 WeakPolarHBondContact OD1-CB 3.35Å; D537-S539 PolarHBondContact OD1-N 3.37Å; D537-S539 PolarHBondContact OD1-OG 2.86Å; S539-Q541 PolarHBondContact O-N 3.41Å; S539-Q542 WeakPolarHBondContact O-CB 3.41Å; S539-Q542 PolarHBondContact O-N 2.94Å; S539-I543 WeakPolarHBondContact O-CG1 3.5Å; S539-I543 PolarHBondContact O-N 3.47Å; S539-E595 WeakPolarHBondContact OG-CB 3.4Å
540	I	96.6	Very high	93.7	Very high	31 Å²	31	65.7 Å²	65.7	16%	0.159	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-43.9	176.9	-66.2	175.2	0	0	0	110.8	L426 A429 R430 L433 R538 Q542 I543 Q544	L426-I540 HydrophobicContact CD1-CG2 3.88Å; A429-I540 HydrophobicContact CB-CG1 4.26Å; R430-I540 HydrophobicContact CG-CD1 3.87Å; R430-I540 HydrophobicContact CG-CG1 4.5Å; R430-I540 HydrophobicContact CG-CG2 4.23Å; L433-I540 HydrophobicContact CB-CD1 4.12Å; L433-I540 HydrophobicContact CD2-CD1 3.36Å; L433-I540 HydrophobicContact CG-CD1 4.37Å; R538-I540 VanDerWaalsContact C-N 3.35Å; R538-I540 PolarHBondContact O-N 3.49Å; I540-Q542 VanDerWaalsContact C-N 3.31Å; I540-Q542 PolarHBondContact O-N 3.2Å; I540-I543 PolarHBondContact O-N 3.38Å; I540-Q544 WeakPolarHBondContact O-CB 3.4Å; I540-Q544 PolarHBondContact O-N 3.25Å
541	Q	97	Very high	94	Very high	115 Å²	115	65.3 Å²	65.3	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-36.3	177.3	-62.7	85.3	-17.2	0	0	111.1	R538 S539 C545	R538-Q541 PolarHBondContact O-N 3.01Å; R538-Q541 PolarHBondContact O-OE1 3.44Å; S539-Q541 PolarHBondContact O-N 3.41Å; Q541-C545 WeakPolarHBondContact O-CB 3.47Å; Q541-C545 PolarHBondContact O-N 2.68Å
542	Q	97.5	Very high	94.3	Very high	76 Å²	76	66.9 Å²	66.9	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-66.1	-44.5	175.3	-69.1	-179.5	26.2	0	0	112.3	R538 S539 I540 C545 C546 V591	R538-Q542 WeakPolarHBondContact O-CG 3.39Å; R538-Q542 PolarHBondContact O-N 3.29Å; S539-Q542 WeakPolarHBondContact O-CB 3.41Å; S539-Q542 PolarHBondContact O-N 2.94Å; I540-Q542 VanDerWaalsContact C-N 3.31Å; I540-Q542 PolarHBondContact O-N 3.2Å; Q542-C545 PolarHBondContact O-N 2.75Å; Q542-C546 PolarHBondContact O-N 3.35Å; Q542-C546 VanDerWaalsContact O-N 3.14Å; Q542-C546 PolarHBondContact O-SG 2.89Å; Q542-V591 HydrophobicContact CB-CG1 4.29Å
543	I	97.9	Very high	94.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-48	174.8	-70.7	170	0	0	0	110	L426 A429 S539 I540 C545 C546 L547 L588 V591 F592	L426-I543 HydrophobicContact CB-CG2 3.77Å; L426-I543 HydrophobicContact CD1-CB 4.35Å; L426-I543 HydrophobicContact CD1-CG2 3.81Å; L426-I543 HydrophobicContact CG-CG2 4.36Å; A429-I543 HydrophobicContact CB-CD1 3.91Å; S539-I543 WeakPolarHBondContact O-CG1 3.5Å; S539-I543 PolarHBondContact O-N 3.47Å; I540-I543 PolarHBondContact O-N 3.38Å; I543-C545 PolarHBondContact O-N 3.23Å; I543-C546 WeakPolarHBondContact O-CB 3.11Å; I543-C546 PolarHBondContact O-N 3.45Å; I543-L547 HydrophobicContact CG2-CD1 4.09Å; I543-L547 PolarHBondContact O-N 3.29Å; I543-L588 HydrophobicContact CB-CG 4.42Å; I543-L588 HydrophobicContact CG1-CG 4.37Å; I543-L588 HydrophobicContact CG2-CD1 4.04Å; I543-L588 HydrophobicContact CG2-CD2 4.23Å; I543-L588 HydrophobicContact CG2-CG 3.9Å; I543-V591 HydrophobicContact CD1-CG1 4.32Å; I543-V591 HydrophobicContact CG1-CB 4.36Å; I543-V591 HydrophobicContact CG1-CG1 3.96Å; I543-F592 HydrophobicContact CD1-CB 4.12Å
544	Q	97.8	Very high	95.2	Very high	49 Å²	49	57.8 Å²	57.8	23%	0.229	27%	0.272	C	S	.	.	H	α-helix	trans	-59.1	-45.8	178.3	-172.5	66.7	58.5	0	0	111.8	I540 C546 L547 D548	I540-Q544 WeakPolarHBondContact O-CB 3.4Å; I540-Q544 PolarHBondContact O-N 3.25Å; Q544-C546 VanDerWaalsContact C-N 3.27Å; Q544-C546 PolarHBondContact O-N 2.9Å; Q544-L547 WeakPolarHBondContact O-CB 3.35Å; Q544-L547 PolarHBondContact O-N 3.12Å; Q544-L547 VanDerWaalsContact O-N 3.08Å; Q544-D548 PolarHBondContact NE2-OD1 2.66Å; Q544-D548 PolarHBondContact O-N 3.18Å
545	C	97.9	Very high	95.6	Very high	58 Å²	58	62 Å²	62	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-59.8	-37.2	177.6	179.6	0	0	0	0	112.4	Q541 Q542 I543 K549	Q541-C545 WeakPolarHBondContact O-CB 3.47Å; Q541-C545 PolarHBondContact O-N 2.68Å; Q542-C545 PolarHBondContact O-N 2.75Å; I543-C545 PolarHBondContact O-N 3.23Å; C545-K549 WeakPolarHBondContact O-CG 3.48Å; C545-K549 PolarHBondContact O-N 3.22Å
546	C	98.1	Very high	96.1	Very high	4 Å²	4	60 Å²	60	3%	0.027	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-45.1	173.6	-64.3	0	0	0	0	111.3	Q542 I543 Q544 D548 K549 M550 L588	Q542-C546 PolarHBondContact O-N 3.35Å; Q542-C546 VanDerWaalsContact O-N 3.14Å; Q542-C546 PolarHBondContact O-SG 2.89Å; I543-C546 WeakPolarHBondContact O-CB 3.11Å; I543-C546 PolarHBondContact O-N 3.45Å; Q544-C546 VanDerWaalsContact C-N 3.27Å; Q544-C546 PolarHBondContact O-N 2.9Å; C546-D548 PolarHBondContact O-N 2.91Å; C546-K549 PolarHBondContact O-N 3.44Å; C546-M550 WeakPolarHBondContact O-CB 3.48Å; C546-M550 VanDerWaalsContact O-CG 3.24Å; C546-M550 WeakPolarHBondContact O-CG 3.41Å; C546-M550 PolarHBondContact O-N 2.92Å; C546-L588 HydrophobicContact CB-CB 3.97Å; C546-L588 HydrophobicContact CB-CD1 4.06Å; C546-L588 HydrophobicContact CB-CG 4.4Å
547	L	97.6	Very high	96.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-43.6	177.2	-75.5	169.9	0	0	0	112.7	L419 Y423 L426 I543 Q544 K549 M550 N551 L588	L419-L547 HydrophobicContact CD2-CD2 3.92Å; Y423-L547 HydrophobicContact CD1-CD1 3.81Å; Y423-L547 HydrophobicContact CD1-CD2 4.38Å; Y423-L547 HydrophobicContact CD2-CD2 4.48Å; Y423-L547 HydrophobicContact CE1-CD1 4.09Å; Y423-L547 HydrophobicContact CG-CD1 4.46Å; Y423-L547 HydrophobicContact CG-CD2 4.39Å; L426-L547 HydrophobicContact CB-CD1 3.8Å; L426-L547 HydrophobicContact CD2-CD1 3.67Å; L426-L547 HydrophobicContact CG-CD1 4.27Å; I543-L547 HydrophobicContact CG2-CD1 4.09Å; I543-L547 PolarHBondContact O-N 3.29Å; Q544-L547 WeakPolarHBondContact O-CB 3.35Å; Q544-L547 PolarHBondContact O-N 3.12Å; Q544-L547 VanDerWaalsContact O-N 3.08Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.35Å; L547-M550 PolarHBondContact O-N 3.33Å; L547-N551 VanDerWaalsContact O-CB 3.26Å; L547-N551 WeakPolarHBondContact O-CB 3.44Å; L547-N551 PolarHBondContact O-N 3.46Å; L547-L588 HydrophobicContact CD1-CD1 4.33Å; L547-L588 HydrophobicContact CD2-CD1 3.67Å; L547-L588 HydrophobicContact CG-CD1 3.54Å
548	D	97.8	Very high	96.7	Very high	85 Å²	85	55.8 Å²	55.8	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-42.7	-178.6	-64.4	-22.2	0	0	0	111.2	Q544 C546 N551 F552	Q544-D548 PolarHBondContact NE2-OD1 2.66Å; Q544-D548 PolarHBondContact O-N 3.18Å; C546-D548 PolarHBondContact O-N 2.91Å; D548-N551 PolarHBondContact O-N 3.17Å; D548-F552 PolarHBondContact O-N 3.43Å
549	K	98.1	Very high	96.7	Very high	110 Å²	110	54.2 Å²	54.2	48%	0.478	26%	0.255	S	S	.	.	H	α-helix	trans	-65.9	-43.3	175	-68.1	176.3	-176.2	-179.6	0	112	C545 C546 L547 N551 F552 I553 L584	C545-K549 WeakPolarHBondContact O-CG 3.48Å; C545-K549 PolarHBondContact O-N 3.22Å; C546-K549 PolarHBondContact O-N 3.44Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 3.35Å; K549-N551 VanDerWaalsContact C-N 3.35Å; K549-F552 WeakPolarHBondContact O-CB 3.46Å; K549-F552 PolarHBondContact O-N 2.78Å; K549-I553 PolarHBondContact O-N 2.9Å; K549-L584 HydrophobicContact CB-CD1 3.69Å; K549-L584 HydrophobicContact CB-CD2 4.38Å; K549-L584 HydrophobicContact CD-CD2 4.07Å
550	M	98.1	Very high	96.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63	-42	175.9	-71.2	168.1	63.7	0	0	111.5	V418 L419 C546 L547 F552 I553 Y554 F581 L584 A585 L588	V418-M550 HydrophobicContact CG1-CE 3.77Å; L419-M550 HydrophobicContact CD2-CB 3.74Å; L419-M550 HydrophobicContact CD2-CE 4.18Å; L419-M550 HydrophobicContact CG-CB 4.41Å; L419-M550 HydrophobicContact CG-CE 4.4Å; C546-M550 WeakPolarHBondContact O-CB 3.48Å; C546-M550 VanDerWaalsContact O-CG 3.24Å; C546-M550 WeakPolarHBondContact O-CG 3.41Å; C546-M550 PolarHBondContact O-N 2.92Å; L547-M550 PolarHBondContact O-N 3.33Å; M550-F552 VanDerWaalsContact C-N 3.3Å; M550-F552 PolarHBondContact O-N 2.95Å; M550-I553 PolarHBondContact O-N 3.49Å; M550-Y554 WeakPolarHBondContact O-CB 3.33Å; M550-Y554 PolarHBondContact O-N 3.24Å; M550-F581 HydrophobicContact CB-CD2 4.09Å; M550-F581 HydrophobicContact CB-CE2 3.77Å; M550-F581 HydrophobicContact CB-CZ 4.24Å; M550-F581 HydrophobicContact CE-CD1 4.29Å; M550-F581 HydrophobicContact CE-CE1 3.71Å; M550-F581 HydrophobicContact CE-CE2 4.38Å; M550-F581 HydrophobicContact CE-CZ 3.77Å; M550-F581 HydrophobicContact CG-CD2 4.26Å; M550-F581 HydrophobicContact CG-CE2 4.28Å; M550-F581 VanDerWaalsContact O-CE2 3.31Å; M550-F581 WeakPolarHBondContact O-CE2 3.31Å; M550-L584 HydrophobicContact CG-CB 3.6Å; M550-L584 HydrophobicContact CG-CD1 3.94Å; M550-L584 HydrophobicContact CG-CG 4.42Å; M550-L584 HydrophobicContact SD-CB 3.92Å; M550-A585 HydrophobicContact CE-CB 3.81Å; M550-A585 HydrophobicContact SD-CB 4.28Å; M550-L588 HydrophobicContact SD-CD1 4.31Å
551	N	97.3	Very high	96.2	Very high	30 Å²	30	56.8 Å²	56.8	16%	0.16	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-35.8	178.8	-170.3	28.1	0	0	0	111.5	L547 D548 K549 Y554 K555	L547-N551 VanDerWaalsContact O-CB 3.26Å; L547-N551 WeakPolarHBondContact O-CB 3.44Å; L547-N551 PolarHBondContact O-N 3.46Å; D548-N551 PolarHBondContact O-N 3.17Å; K549-N551 VanDerWaalsContact C-N 3.35Å; N551-Y554 PolarHBondContact O-N 2.77Å; N551-K555 WeakPolarHBondContact O-CG 3.46Å; N551-K555 PolarHBondContact O-N 2.8Å
552	F	97	Very high	95.7	Very high	134 Å²	134	58.3 Å²	58.3	59%	0.588	27%	0.273	S	S	*	.	H	α-helix	trans	-59	-49	172.3	-179.3	-95.3	0	0	0	111.9	D548 K549 M550 K555 Q556	D548-F552 PolarHBondContact O-N 3.43Å; K549-F552 WeakPolarHBondContact O-CB 3.46Å; K549-F552 PolarHBondContact O-N 2.78Å; M550-F552 VanDerWaalsContact C-N 3.3Å; M550-F552 PolarHBondContact O-N 2.95Å; F552-K555 PolarHBondContact O-N 2.61Å; F552-Q556 PolarHBondContact O-N 3.33Å
553	I	97.4	Very high	95.2	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.062	27%	0.274	C	S	.	.	H	α-helix	trans	-63.5	-45.4	177.1	-64.3	168.3	0	0	0	110.8	K549 M550 K555 Q556 F557 D577 N580 F581 L584	K549-I553 PolarHBondContact O-N 2.9Å; M550-I553 PolarHBondContact O-N 3.49Å; I553-K555 VanDerWaalsContact C-N 3.27Å; I553-K555 PolarHBondContact O-N 2.72Å; I553-Q556 WeakPolarHBondContact O-CA 3.44Å; I553-Q556 WeakPolarHBondContact O-CB 3.28Å; I553-Q556 PolarHBondContact O-N 3.04Å; I553-F557 HydrophobicContact CG2-CD1 4.31Å; I553-F557 HydrophobicContact CG2-CE1 3.82Å; I553-F557 HydrophobicContact CG2-CE2 4.05Å; I553-F557 HydrophobicContact CG2-CZ 3.67Å; I553-F557 PolarHBondContact O-N 3.41Å; I553-D577 HydrophobicContact CG2-CB 3.84Å; I553-N580 HydrophobicContact CD1-CB 4.38Å; I553-F581 HydrophobicContact CB-CD2 3.92Å; I553-F581 HydrophobicContact CD1-CB 4.15Å; I553-F581 HydrophobicContact CD1-CD2 4.34Å; I553-F581 HydrophobicContact CG2-CB 4.37Å; I553-F581 HydrophobicContact CG2-CD2 3.8Å; I553-L584 HydrophobicContact CD1-CD1 4.34Å
554	Y	97.3	Very high	94.6	Very high	8 Å²	8	66.5 Å²	66.5	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-39.7	177.3	166.2	-103.4	0	0	0	112.5	P101 Y412 A415 K416 L419 M550 N551 Q556 F557 K558	P101-Y554 HydrophobicContact CG-CD1 4.45Å; P101-Y554 HydrophobicContact CG-CE1 3.91Å; P101-Y554 HydrophobicContact CG-CE2 4.46Å; Y412-Y554 HydrophobicContact CD2-CD2 4.31Å; Y412-Y554 AromaticContact CD2-CE2 3.73Å; Y412-Y554 HydrophobicContact CD2-CE2 3.73Å; Y412-Y554 HydrophobicContact CE2-CD2 4.28Å; Y412-Y554 AromaticContact CE2-CE2 3.32Å; Y412-Y554 HydrophobicContact CE2-CE2 3.32Å; Y412-Y554 AromaticContact CE2-CZ 3.61Å; Y412-Y554 WeakPolarHBondContact CE2-OH 3.37Å; Y412-Y554 PolarHBondContact OH-OH 3.45Å; A415-Y554 HydrophobicContact CB-CD2 4.08Å; K416-Y554 HydrophobicContact CB-CE2 3.9Å; L419-Y554 HydrophobicContact CD1-CD1 3.8Å; L419-Y554 HydrophobicContact CD1-CD2 3.92Å; L419-Y554 HydrophobicContact CD1-CG 3.38Å; M550-Y554 WeakPolarHBondContact O-CB 3.33Å; M550-Y554 PolarHBondContact O-N 3.24Å; N551-Y554 PolarHBondContact O-N 2.77Å; Y554-Q556 VanDerWaalsContact C-N 3.26Å; Y554-Q556 PolarHBondContact O-N 2.88Å; Y554-F557 PolarHBondContact O-N 2.84Å; Y554-K558 HydrophobicContact CE1-CD 4.39Å; Y554-K558 WeakPolarHBondContact O-CB 3.36Å; Y554-K558 PolarHBondContact O-N 3.24Å
555	K	95.6	Very high	94.1	Very high	113 Å²	113	65.9 Å²	65.9	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-33.8	174.6	-75	172.3	-177.9	176.1	0	112.1	N551 F552 I553 K559	N551-K555 WeakPolarHBondContact O-CG 3.46Å; N551-K555 PolarHBondContact O-N 2.8Å; F552-K555 PolarHBondContact O-N 2.61Å; I553-K555 VanDerWaalsContact C-N 3.27Å; I553-K555 PolarHBondContact O-N 2.72Å; K555-K559 WeakPolarHBondContact O-CG 3.36Å; K555-K559 PolarHBondContact O-N 2.82Å
556	Q	94.8	Very high	93.8	Very high	71 Å²	71	64.6 Å²	64.6	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-69.7	-46	173.6	-55.4	-55.4	-24.8	0	0	111.4	F552 I553 Y554 K558 K559 S560	F552-Q556 PolarHBondContact O-N 3.33Å; I553-Q556 WeakPolarHBondContact O-CA 3.44Å; I553-Q556 WeakPolarHBondContact O-CB 3.28Å; I553-Q556 PolarHBondContact O-N 3.04Å; Y554-Q556 VanDerWaalsContact C-N 3.26Å; Y554-Q556 PolarHBondContact O-N 2.88Å; Q556-K558 VanDerWaalsContact C-N 3.26Å; Q556-K558 PolarHBondContact O-N 2.92Å; Q556-K559 WeakPolarHBondContact O-CB 3.1Å; Q556-K559 PolarHBondContact O-N 2.96Å; Q556-S560 PolarHBondContact O-N 3.39Å; Q556-S560 PolarHBondContact O-OG 2.78Å
557	F	95.7	Very high	93.6	Very high	1 Å²	1	66.2 Å²	66.2	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-38.9	175.3	-67.8	0.8	0	0	0	111.5	F402 A415 I553 Y554 K559 S560 R561 H574 D577 K578	F402-F557 AromaticContact CE1-CE2 3.93Å; F402-F557 HydrophobicContact CE1-CE2 3.93Å; F402-F557 HydrophobicContact CZ-CE2 4.09Å; A415-F557 HydrophobicContact CB-CD2 3.78Å; A415-F557 HydrophobicContact CB-CE2 4.26Å; I553-F557 HydrophobicContact CG2-CD1 4.31Å; I553-F557 HydrophobicContact CG2-CE1 3.82Å; I553-F557 HydrophobicContact CG2-CE2 4.05Å; I553-F557 HydrophobicContact CG2-CZ 3.67Å; I553-F557 PolarHBondContact O-N 3.41Å; Y554-F557 PolarHBondContact O-N 2.84Å; F557-K559 VanDerWaalsContact C-N 3.3Å; F557-K559 PolarHBondContact O-N 2.79Å; F557-S560 PolarHBondContact O-N 3.41Å; F557-S560 PolarHBondContact O-OG 3.4Å; F557-R561 WeakPolarHBondContact O-CB 3.2Å; F557-R561 PolarHBondContact O-N 2.87Å; F557-H574 AromaticContact CD1-CE1 3.41Å; F557-H574 VanDerWaalsContact CD1-CE1 3.41Å; F557-H574 WeakPolarHBondContact CD1-CE1 3.26Å; F557-H574 AromaticContact CD1-ND1 3.5Å; F557-H574 WeakPolarHBondContact CD1-ND1 3.4Å; F557-H574 AromaticContact CE1-CE1 3.4Å; F557-H574 WeakPolarHBondContact CE1-CE1 3.28Å; F557-H574 AromaticContact CE1-ND1 3.34Å; F557-H574 VanDerWaalsContact CE1-ND1 3.34Å; F557-H574 WeakPolarHBondContact CE1-ND1 3.42Å; F557-H574 AromaticContact CG-CE1 3.99Å; F557-H574 AromaticContact CZ-CE1 3.94Å; F557-D577 HydrophobicContact CE1-CB 3.91Å; F557-D577 HydrophobicContact CZ-CB 4Å; F557-K578 HydrophobicContact CE2-CG 4.18Å; F557-K578 HydrophobicContact CZ-CG 3.79Å
558	K	93.6	Very high	93.5	Very high	83 Å²	83	74.6 Å²	74.6	36%	0.361	37%	0.366	S	S	.	.	H	α-helix	trans	-59.7	-40.4	174.9	-171.1	172.3	-178.3	171.3	0	111.4	Y412 Y554 Q556 R561	Y412-K558 HydrophobicContact CD2-CB 3.99Å; Y412-K558 HydrophobicContact CD2-CG 4.42Å; Y412-K558 HydrophobicContact CE2-CB 3.68Å; Y412-K558 HydrophobicContact CE2-CD 4.28Å; Y412-K558 HydrophobicContact CE2-CG 3.71Å; Y554-K558 HydrophobicContact CE1-CD 4.39Å; Y554-K558 WeakPolarHBondContact O-CB 3.36Å; Y554-K558 PolarHBondContact O-N 3.24Å; Q556-K558 VanDerWaalsContact C-N 3.26Å; Q556-K558 PolarHBondContact O-N 2.92Å; K558-R561 WeakPolarHBondContact O-CG 3.46Å; K558-R561 PolarHBondContact O-NH1 2.78Å
559	K	92	Very high	93.3	Very high	154 Å²	154	76.2 Å²	76.2	67%	0.67	37%	0.374	S	S	*	.	H	α-helix	trans	-70.5	-39.4	177.2	-71.9	174.7	-177.3	-178.6	0	112.3	K555 Q556 F557	K555-K559 WeakPolarHBondContact O-CG 3.36Å; K555-K559 PolarHBondContact O-N 2.82Å; Q556-K559 WeakPolarHBondContact O-CB 3.1Å; Q556-K559 PolarHBondContact O-N 2.96Å; F557-K559 VanDerWaalsContact C-N 3.3Å; F557-K559 PolarHBondContact O-N 2.79Å
560	S	91.7	Very high	93.2	Very high	11 Å²	11	74.8 Å²	74.8	8%	0.077	37%	0.369	C	S	.	.	H	α-helix	trans	-82	-18.8	-176.6	62	0	0	0	0	114.4	L408 Q556 F557 M562 R563	L408-S560 WeakPolarHBondContact CD1-O 3.46Å; Q556-S560 PolarHBondContact O-N 3.39Å; Q556-S560 PolarHBondContact O-OG 2.78Å; F557-S560 PolarHBondContact O-N 3.41Å; F557-S560 PolarHBondContact O-OG 3.4Å; S560-M562 PolarHBondContact O-N 3.27Å; S560-R563 VanDerWaalsContact O-CB 3.27Å; S560-R563 WeakPolarHBondContact O-CB 3.47Å; S560-R563 WeakPolarHBondContact O-CG 3.4Å; S560-R563 PolarHBondContact O-N 2.72Å
561	R	90.8	Very high	93	Very high	77 Å²	77	77.7 Å²	77.7	29%	0.291	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.5	-171.7	79.5	-172.2	-170.9	-95.2	7.6	116.2	Y412 F557 K558	Y412-R561 HydrophobicContact CG-CB 4.18Å; F557-R561 WeakPolarHBondContact O-CB 3.2Å; F557-R561 PolarHBondContact O-N 2.87Å; K558-R561 WeakPolarHBondContact O-CG 3.46Å; K558-R561 PolarHBondContact O-NH1 2.78Å
562	M	85.3	Confident	92.9	Very high	147 Å²	147	80 Å²	80	72%	0.724	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	0.6	-178.9	-58.9	-56	-65.6	0	0	113.2	S560	S560-M562 PolarHBondContact O-N 3.27Å
563	R	88.3	Confident	92.8	Very high	100 Å²	100	78.3 Å²	78.3	38%	0.377	39%	0.389	S	S	.	.	S	Bend	trans	-75.1	142.9	178.1	-66.1	176.4	60.2	175.9	-4.3	109.6	L408 S560 G565 E570	L408-R563 HydrophobicContact CD1-CB 4.13Å; S560-R563 VanDerWaalsContact O-CB 3.27Å; S560-R563 WeakPolarHBondContact O-CB 3.47Å; S560-R563 WeakPolarHBondContact O-CG 3.4Å; S560-R563 PolarHBondContact O-N 2.72Å; R563-G565 PolarHBondContact O-N 2.8Å; R563-E570 IonicContact CZ-OE1 3.51Å; R563-E570 IonicContact CZ-OE2 2.72Å; R563-E570 IonicContact NH1-OE1 3.49Å; R563-E570 PolarHBondContact NH1-OE1 3.02Å; R563-E570 IonicContact NH1-OE2 2.71Å; R563-E570 PolarHBondContact NH1-OE2 2.66Å; R563-E570 IonicContact NH2-OE1 2.73Å; R563-E570 PolarHBondContact NH2-OE1 3.05Å; R563-E570 IonicContact NH2-OE2 2.78Å; R563-E570 PolarHBondContact NH2-OE2 2.85Å
564	P	85.4	Confident	92.8	Very high	148 Å²	148	78.1 Å²	78.1	96%	0.961	39%	0.388	S	S	*	.	S	Bend	trans	-66.7	-20.7	175.9	26.4	-33.6	0	0	0	113
565	G	86.9	Confident	92.7	Very high	36 Å²	36	81 Å²	81	37%	0.371	40%	0.401	S	S	.	.			trans	179.3	173.6	177.3	0	0	0	0	0	112	R563	R563-G565 PolarHBondContact O-N 2.8Å
566	L	92.2	Very high	92.7	Very high	32 Å²	32	80.4 Å²	80.4	17%	0.168	40%	0.402	C	S	.	.			trans	-110.9	150.2	175.2	-63.6	-178.8	0	0	0	109.9	L408 E570 E571 H574	L408-L566 HydrophobicContact CD1-CD2 4.23Å; L408-L566 HydrophobicContact CD1-CG 4.06Å; L408-L566 HydrophobicContact CD2-CD1 3.59Å; L408-L566 HydrophobicContact CD2-CD2 4.5Å; L408-L566 HydrophobicContact CD2-CG 3.87Å; L566-E570 HydrophobicContact CB-CB 3.97Å; L566-E570 HydrophobicContact CD2-CB 4.37Å; L566-E571 HydrophobicContact CB-CB 4.14Å; L566-H574 HydrophobicContact CD1-CB 3.65Å
567	G	93.6	Very high	92.8	Very high	38 Å²	38	78.8 Å²	78.8	39%	0.392	40%	0.396	S	S	.	.			trans	-68.2	163.8	167.5	0	0	0	0	0	111.3	N569 E570 E571	G567-N569 PolarHBondContact O-N 2.89Å; G567-E570 PolarHBondContact N-OE2 3.13Å; G567-E570 PolarHBondContact O-N 2.99Å; G567-E570 VanDerWaalsContact O-N 3.12Å; G567-E571 PolarHBondContact O-N 3Å
568	Y	93.9	Very high	92.8	Very high	176 Å²	176	79.3 Å²	79.3	69%	0.69	40%	0.398	S	S	*	.	H	α-helix	trans	-50.4	-51.9	-175.9	176.7	-96.7	0	0	0	113.3	E571 Q572	Y568-E571 PolarHBondContact O-N 3.43Å; Y568-Q572 HydrophobicContact CE1-CG 4.2Å; Y568-Q572 WeakPolarHBondContact O-CG 3.45Å; Y568-Q572 PolarHBondContact O-N 3.48Å
569	N	95	Very high	92.9	Very high	118 Å²	118	79.9 Å²	79.9	63%	0.631	41%	0.408	S	S	*	.	H	α-helix	trans	-64.9	-41.8	-179.7	-69.5	-24	0	0	0	112.4	G567 E571 Q572 I573	G567-N569 PolarHBondContact O-N 2.89Å; N569-E571 VanDerWaalsContact C-N 3.31Å; N569-E571 PolarHBondContact O-N 3.37Å; N569-Q572 PolarHBondContact O-N 3.3Å; N569-I573 VanDerWaalsContact O-CG1 3.29Å; N569-I573 WeakPolarHBondContact O-CG1 3.46Å; N569-I573 PolarHBondContact O-N 3.43Å
570	E	94.6	Very high	93.1	Very high	80 Å²	80	75.9 Å²	75.9	37%	0.374	39%	0.394	S	S	.	.	H	α-helix	trans	-63.9	-37.3	176.9	-65.4	179.9	123.5	0	0	111.5	R563 L566 G567 I573 H574	R563-E570 IonicContact CZ-OE1 3.51Å; R563-E570 IonicContact CZ-OE2 2.72Å; R563-E570 IonicContact NH1-OE1 3.49Å; R563-E570 PolarHBondContact NH1-OE1 3.02Å; R563-E570 IonicContact NH1-OE2 2.71Å; R563-E570 PolarHBondContact NH1-OE2 2.66Å; R563-E570 IonicContact NH2-OE1 2.73Å; R563-E570 PolarHBondContact NH2-OE1 3.05Å; R563-E570 IonicContact NH2-OE2 2.78Å; R563-E570 PolarHBondContact NH2-OE2 2.85Å; L566-E570 HydrophobicContact CB-CB 3.97Å; L566-E570 HydrophobicContact CD2-CB 4.37Å; G567-E570 PolarHBondContact N-OE2 3.13Å; G567-E570 PolarHBondContact O-N 2.99Å; G567-E570 VanDerWaalsContact O-N 3.12Å; E570-I573 PolarHBondContact O-N 3.16Å; E570-H574 WeakPolarHBondContact O-CB 3.12Å; E570-H574 PolarHBondContact O-N 2.96Å
571	E	94.7	Very high	93.4	Very high	62 Å²	62	75.3 Å²	75.3	29%	0.29	39%	0.39	S	S	.	.	H	α-helix	trans	-67	-39.8	176.5	-165.8	-170.8	140.2	0	0	111.6	V406 L566 G567 Y568 N569 H574 K575	V406-E571 HydrophobicContact CB-CG 4.42Å; V406-E571 HydrophobicContact CG1-CG 4.42Å; V406-E571 HydrophobicContact CG2-CG 3.98Å; L566-E571 HydrophobicContact CB-CB 4.14Å; G567-E571 PolarHBondContact O-N 3Å; Y568-E571 PolarHBondContact O-N 3.43Å; N569-E571 VanDerWaalsContact C-N 3.31Å; N569-E571 PolarHBondContact O-N 3.37Å; E571-H574 PolarHBondContact O-N 2.98Å; E571-K575 WeakPolarHBondContact O-CG 3.44Å; E571-K575 PolarHBondContact O-N 2.73Å; E571-K575 WeakPolarHBondContact OE1-CE 3.22Å; E571-K575 IonicContact OE1-NZ 2.69Å; E571-K575 PolarHBondContact OE1-NZ 2.95Å
572	Q	95.4	Very high	93.7	Very high	79 Å²	79	73.4 Å²	73.4	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-64.4	-41.7	173.9	-62.2	-49.8	-44.4	0	0	111.7	Y568 N569 K575 L576	Y568-Q572 HydrophobicContact CE1-CG 4.2Å; Y568-Q572 WeakPolarHBondContact O-CG 3.45Å; Y568-Q572 PolarHBondContact O-N 3.48Å; N569-Q572 PolarHBondContact O-N 3.3Å; Q572-K575 PolarHBondContact O-N 3.33Å; Q572-L576 PolarHBondContact O-N 2.92Å
573	I	95.3	Very high	94.2	Very high	98 Å²	98	72.1 Å²	72.1	50%	0.503	38%	0.381	S	S	.	.	H	α-helix	trans	-61.2	-46.2	174.2	-67.2	164.7	0	0	0	110.2	N569 E570 K575 L576 D577	N569-I573 VanDerWaalsContact O-CG1 3.29Å; N569-I573 WeakPolarHBondContact O-CG1 3.46Å; N569-I573 PolarHBondContact O-N 3.43Å; E570-I573 PolarHBondContact O-N 3.16Å; I573-K575 VanDerWaalsContact C-N 3.33Å; I573-K575 PolarHBondContact O-N 2.8Å; I573-L576 WeakPolarHBondContact O-CB 3.02Å; I573-L576 PolarHBondContact O-N 3.5Å; I573-L576 VanDerWaalsContact O-N 3.15Å; I573-D577 WeakPolarHBondContact O-CB 3.43Å; I573-D577 PolarHBondContact O-N 2.92Å
574	H	95.9	Very high	94.7	Very high	9 Å²	9	68.4 Å²	68.4	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-61.1	-40.2	178.1	-174.4	98	0	0	0	112	D411 F557 L566 E570 E571 D577 K578	D411-H574 IonicContact OD2-CD2 3.85Å; D411-H574 IonicContact OD2-CE1 2.73Å; D411-H574 IonicContact OD2-NE2 3.56Å; D411-H574 PolarHBondContact OD2-NE2 3.37Å; F557-H574 AromaticContact CD1-CE1 3.41Å; F557-H574 VanDerWaalsContact CD1-CE1 3.41Å; F557-H574 WeakPolarHBondContact CD1-CE1 3.26Å; F557-H574 AromaticContact CD1-ND1 3.5Å; F557-H574 WeakPolarHBondContact CD1-ND1 3.4Å; F557-H574 AromaticContact CE1-CE1 3.4Å; F557-H574 WeakPolarHBondContact CE1-CE1 3.28Å; F557-H574 AromaticContact CE1-ND1 3.34Å; F557-H574 VanDerWaalsContact CE1-ND1 3.34Å; F557-H574 WeakPolarHBondContact CE1-ND1 3.42Å; F557-H574 AromaticContact CG-CE1 3.99Å; F557-H574 AromaticContact CZ-CE1 3.94Å; L566-H574 HydrophobicContact CD1-CB 3.65Å; E570-H574 WeakPolarHBondContact O-CB 3.12Å; E570-H574 PolarHBondContact O-N 2.96Å; E571-H574 PolarHBondContact O-N 2.98Å; H574-D577 PolarHBondContact O-N 3.04Å; H574-K578 WeakPolarHBondContact O-CG 3.3Å; H574-K578 PolarHBondContact O-N 2.98Å
575	K	95.3	Very high	95.2	Very high	69 Å²	69	61.8 Å²	61.8	30%	0.3	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-44.5	173.4	-74.8	171.2	-175.5	162.3	0	112	V406 E571 Q572 I573 K578 V579	V406-K575 HydrophobicContact CG2-CD 4.24Å; V406-K575 HydrophobicContact CG2-CG 3.63Å; E571-K575 WeakPolarHBondContact O-CG 3.44Å; E571-K575 PolarHBondContact O-N 2.73Å; E571-K575 WeakPolarHBondContact OE1-CE 3.22Å; E571-K575 IonicContact OE1-NZ 2.69Å; E571-K575 PolarHBondContact OE1-NZ 2.95Å; Q572-K575 PolarHBondContact O-N 3.33Å; I573-K575 VanDerWaalsContact C-N 3.33Å; I573-K575 PolarHBondContact O-N 2.8Å; K575-K578 WeakPolarHBondContact O-CB 3.39Å; K575-K578 PolarHBondContact O-N 3.24Å; K575-V579 PolarHBondContact O-N 3.33Å
576	L	95.9	Very high	95.7	Very high	100 Å²	100	67.3 Å²	67.3	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-62.7	-43.5	176.4	-179.2	61.9	0	0	0	111.3	Q572 I573 K578 V579 N580	Q572-L576 PolarHBondContact O-N 2.92Å; I573-L576 WeakPolarHBondContact O-CB 3.02Å; I573-L576 PolarHBondContact O-N 3.5Å; I573-L576 VanDerWaalsContact O-N 3.15Å; L576-K578 VanDerWaalsContact C-N 3.32Å; L576-K578 PolarHBondContact O-N 3.02Å; L576-V579 PolarHBondContact O-N 3.22Å; L576-V579 VanDerWaalsContact O-N 3.15Å; L576-N580 WeakPolarHBondContact O-CB 3.28Å; L576-N580 PolarHBondContact O-N 3.38Å
577	D	97	Very high	95.9	Very high	36 Å²	36	71.5 Å²	71.5	19%	0.193	35%	0.353	C	S	.	.	H	α-helix	trans	-60.5	-39.6	176.4	-81.6	-16.1	0	0	0	112	I553 F557 I573 H574 V579 N580 F581	I553-D577 HydrophobicContact CG2-CB 3.84Å; F557-D577 HydrophobicContact CE1-CB 3.91Å; F557-D577 HydrophobicContact CZ-CB 4Å; I573-D577 WeakPolarHBondContact O-CB 3.43Å; I573-D577 PolarHBondContact O-N 2.92Å; H574-D577 PolarHBondContact O-N 3.04Å; D577-V579 VanDerWaalsContact C-N 3.35Å; D577-V579 PolarHBondContact O-N 3.17Å; D577-N580 PolarHBondContact O-N 3.39Å; D577-F581 WeakPolarHBondContact O-CB 3.46Å; D577-F581 PolarHBondContact O-N 3.31Å
578	K	96.4	Very high	96.1	Very high	12 Å²	12	69.8 Å²	69.8	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-43.6	173.4	-72.3	169.5	63.6	155.7	0	112.3	F402 V403 K405 D411 F557 H574 K575 L576 S582	F402-K578 HydrophobicContact CD1-CB 4.44Å; F402-K578 HydrophobicContact CD1-CD 4.37Å; F402-K578 HydrophobicContact CD1-CG 3.99Å; F402-K578 HydrophobicContact CE1-CG 4.16Å; F402-K578 HydrophobicContact CG-CB 4.49Å; V403-K578 WeakPolarHBondContact O-CE 3.48Å; V403-K578 PolarHBondContact O-NZ 3.37Å; K405-K578 PolarHBondContact O-NZ 2.94Å; D411-K578 VanDerWaalsContact CG-NZ 3.27Å; D411-K578 VanDerWaalsContact OD1-CE 3.29Å; D411-K578 WeakPolarHBondContact OD1-CE 3.28Å; D411-K578 IonicContact OD1-NZ 2.61Å; D411-K578 PolarHBondContact OD1-NZ 3.05Å; D411-K578 WeakPolarHBondContact OD2-CD 3.26Å; D411-K578 IonicContact OD2-NZ 2.8Å; D411-K578 PolarHBondContact OD2-NZ 3.45Å; D411-K578 VanDerWaalsContact OD2-NZ 3.07Å; F557-K578 HydrophobicContact CE2-CG 4.18Å; F557-K578 HydrophobicContact CZ-CG 3.79Å; H574-K578 WeakPolarHBondContact O-CG 3.3Å; H574-K578 PolarHBondContact O-N 2.98Å; K575-K578 WeakPolarHBondContact O-CB 3.39Å; K575-K578 PolarHBondContact O-N 3.24Å; L576-K578 VanDerWaalsContact C-N 3.32Å; L576-K578 PolarHBondContact O-N 3.02Å; K578-S582 WeakPolarHBondContact O-CB 3.34Å; K578-S582 PolarHBondContact O-N 3.44Å; K578-S582 PolarHBondContact O-OG 2.94Å
579	V	95.9	Very high	96.2	Very high	95 Å²	95	62.6 Å²	62.6	58%	0.576	31%	0.308	S	S	*	.	H	α-helix	trans	-66.9	-48.6	178.6	175.5	0	0	0	0	110.3	K575 L576 D577 F581 S582 H583	K575-V579 PolarHBondContact O-N 3.33Å; L576-V579 PolarHBondContact O-N 3.22Å; L576-V579 VanDerWaalsContact O-N 3.15Å; D577-V579 VanDerWaalsContact C-N 3.35Å; D577-V579 PolarHBondContact O-N 3.17Å; V579-F581 VanDerWaalsContact C-N 3.35Å; V579-F581 PolarHBondContact O-N 3.45Å; V579-S582 PolarHBondContact O-N 3.21Å; V579-H583 PolarHBondContact O-N 3.47Å
580	N	96.6	Very high	96.3	Very high	70 Å²	70	61.8 Å²	61.8	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-59.1	-45.6	177.8	-73.7	-19.1	0	0	0	111.8	I553 L576 D577 S582 H583 L584	I553-N580 HydrophobicContact CD1-CB 4.38Å; L576-N580 WeakPolarHBondContact O-CB 3.28Å; L576-N580 PolarHBondContact O-N 3.38Å; D577-N580 PolarHBondContact O-N 3.39Å; N580-S582 VanDerWaalsContact C-N 3.34Å; N580-S582 PolarHBondContact O-N 2.88Å; N580-H583 PolarHBondContact O-N 3.07Å; N580-L584 WeakPolarHBondContact O-CG 3.31Å; N580-L584 PolarHBondContact O-N 3.22Å
581	F	97.4	Very high	96.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-44.6	177.1	-170.5	-74.6	0	0	0	111.5	F402 A415 V418 L419 M550 I553 D577 V579 H583 L584 A585	F402-F581 AromaticContact CE2-CD1 3.56Å; F402-F581 HydrophobicContact CE2-CD1 3.56Å; F402-F581 HydrophobicContact CE2-CE1 4.02Å; F402-F581 HydrophobicContact CE2-CG 4.29Å; F402-F581 AromaticContact CZ-CD1 3.89Å; F402-F581 HydrophobicContact CZ-CD1 3.89Å; F402-F581 HydrophobicContact CZ-CE1 4.16Å; F402-F581 HydrophobicContact CZ-CG 4.35Å; A415-F581 HydrophobicContact CB-CE1 4.28Å; A415-F581 HydrophobicContact CB-CE2 4.05Å; A415-F581 HydrophobicContact CB-CZ 3.76Å; A415-F581 WeakPolarHBondContact O-CZ 3.3Å; V418-F581 HydrophobicContact CB-CE1 3.7Å; V418-F581 HydrophobicContact CB-CZ 4.35Å; V418-F581 HydrophobicContact CG1-CD1 4.4Å; V418-F581 HydrophobicContact CG1-CE1 3.61Å; V418-F581 HydrophobicContact CG1-CZ 4.45Å; V418-F581 HydrophobicContact CG2-CE1 4.32Å; L419-F581 HydrophobicContact CD1-CE2 4.35Å; L419-F581 HydrophobicContact CD1-CZ 4.31Å; L419-F581 HydrophobicContact CG-CE2 4.29Å; L419-F581 HydrophobicContact CG-CZ 3.9Å; M550-F581 HydrophobicContact CB-CD2 4.09Å; M550-F581 HydrophobicContact CB-CE2 3.77Å; M550-F581 HydrophobicContact CB-CZ 4.24Å; M550-F581 HydrophobicContact CE-CD1 4.29Å; M550-F581 HydrophobicContact CE-CE1 3.71Å; M550-F581 HydrophobicContact CE-CE2 4.38Å; M550-F581 HydrophobicContact CE-CZ 3.77Å; M550-F581 HydrophobicContact CG-CD2 4.26Å; M550-F581 HydrophobicContact CG-CE2 4.28Å; M550-F581 VanDerWaalsContact O-CE2 3.31Å; M550-F581 WeakPolarHBondContact O-CE2 3.31Å; I553-F581 HydrophobicContact CB-CD2 3.92Å; I553-F581 HydrophobicContact CD1-CB 4.15Å; I553-F581 HydrophobicContact CD1-CD2 4.34Å; I553-F581 HydrophobicContact CG2-CB 4.37Å; I553-F581 HydrophobicContact CG2-CD2 3.8Å; D577-F581 WeakPolarHBondContact O-CB 3.46Å; D577-F581 PolarHBondContact O-N 3.31Å; V579-F581 VanDerWaalsContact C-N 3.35Å; V579-F581 PolarHBondContact O-N 3.45Å; F581-H583 VanDerWaalsContact C-N 3.33Å; F581-H583 PolarHBondContact O-N 2.81Å; F581-L584 PolarHBondContact O-N 3.42Å; F581-A585 WeakPolarHBondContact O-CB 3.26Å; F581-A585 PolarHBondContact O-N 2.66Å
582	S	96.1	Very high	96.6	Very high	36 Å²	36	55.6 Å²	55.6	25%	0.252	27%	0.273	S	S	.	.	H	α-helix	trans	-64.3	-37.7	177	-59	0	0	0	0	112.3	F402 K578 V579 N580 K586	F402-S582 VanDerWaalsContact CD2-OG 3.31Å; F402-S582 WeakPolarHBondContact CD2-OG 3.29Å; K578-S582 WeakPolarHBondContact O-CB 3.34Å; K578-S582 PolarHBondContact O-N 3.44Å; K578-S582 PolarHBondContact O-OG 2.94Å; V579-S582 PolarHBondContact O-N 3.21Å; N580-S582 VanDerWaalsContact C-N 3.34Å; N580-S582 PolarHBondContact O-N 2.88Å; S582-K586 WeakPolarHBondContact O-CG 3.16Å; S582-K586 PolarHBondContact O-N 3.06Å; S582-K586 VanDerWaalsContact O-N 3.07Å
583	H	96.7	Very high	96.6	Very high	121 Å²	121	54.1 Å²	54.1	56%	0.56	27%	0.266	S	S	*	.	H	α-helix	trans	-66.2	-45.2	175.6	178.9	76.3	0	0	0	111.8	V579 N580 F581 A585 K586 R587	V579-H583 PolarHBondContact O-N 3.47Å; N580-H583 PolarHBondContact O-N 3.07Å; F581-H583 VanDerWaalsContact C-N 3.33Å; F581-H583 PolarHBondContact O-N 2.81Å; H583-A585 VanDerWaalsContact C-N 3.35Å; H583-A585 PolarHBondContact O-N 2.98Å; H583-K586 PolarHBondContact O-N 2.86Å; H583-R587 PolarHBondContact O-N 3.35Å
584	L	97.8	Very high	96.6	Very high	22 Å²	22	53.5 Å²	53.5	12%	0.115	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-44.4	175.4	-70.7	167.2	0	0	0	111.7	K549 M550 I553 N580 F581 R587 L588	K549-L584 HydrophobicContact CB-CD1 3.69Å; K549-L584 HydrophobicContact CB-CD2 4.38Å; K549-L584 HydrophobicContact CD-CD2 4.07Å; M550-L584 HydrophobicContact CG-CB 3.6Å; M550-L584 HydrophobicContact CG-CD1 3.94Å; M550-L584 HydrophobicContact CG-CG 4.42Å; M550-L584 HydrophobicContact SD-CB 3.92Å; I553-L584 HydrophobicContact CD1-CD1 4.34Å; N580-L584 WeakPolarHBondContact O-CG 3.31Å; N580-L584 PolarHBondContact O-N 3.22Å; F581-L584 PolarHBondContact O-N 3.42Å; L584-R587 PolarHBondContact O-N 3.2Å; L584-L588 WeakPolarHBondContact O-CB 3.3Å; L584-L588 PolarHBondContact O-N 3.08Å
585	A	97	Very high	96.6	Very high	8 Å²	8	56.6 Å²	56.6	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-44.4	177.6	0	0	0	0	0	112.2	V418 M550 F581 H583 L588 L589	V418-A585 HydrophobicContact CG1-CB 3.47Å; V418-A585 VanDerWaalsContact CG1-CB 3.47Å; M550-A585 HydrophobicContact CE-CB 3.81Å; M550-A585 HydrophobicContact SD-CB 4.28Å; F581-A585 WeakPolarHBondContact O-CB 3.26Å; F581-A585 PolarHBondContact O-N 2.66Å; H583-A585 VanDerWaalsContact C-N 3.35Å; H583-A585 PolarHBondContact O-N 2.98Å; A585-L588 PolarHBondContact O-N 3.2Å; A585-L589 WeakPolarHBondContact O-CG 3.19Å; A585-L589 PolarHBondContact O-N 2.83Å
586	K	96.1	Very high	96.6	Very high	152 Å²	152	54 Å²	54	66%	0.661	27%	0.265	S	S	*	.	H	α-helix	trans	-60.4	-47.8	175.8	-75.7	176.8	-179.2	-178	0	111.8	S582 H583 L588 L589 Q590	S582-K586 WeakPolarHBondContact O-CG 3.16Å; S582-K586 PolarHBondContact O-N 3.06Å; S582-K586 VanDerWaalsContact O-N 3.07Å; H583-K586 PolarHBondContact O-N 2.86Å; K586-L588 VanDerWaalsContact C-N 3.34Å; K586-L588 PolarHBondContact O-N 3.16Å; K586-L589 PolarHBondContact O-N 2.86Å; K586-Q590 WeakPolarHBondContact O-CB 3.48Å; K586-Q590 PolarHBondContact O-N 2.91Å
587	R	97.1	Very high	96.6	Very high	121 Å²	121	49.5 Å²	49.5	46%	0.457	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-44.7	177.8	-179.8	-179.8	170.5	177.5	-1.3	111.6	H583 L584 Q590 V591	H583-R587 PolarHBondContact O-N 3.35Å; L584-R587 PolarHBondContact O-N 3.2Å; R587-Q590 PolarHBondContact O-N 3.25Å; R587-V591 WeakPolarHBondContact O-CG2 3.49Å; R587-V591 PolarHBondContact O-N 3.08Å
588	L	97.7	Very high	96.5	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-50.9	177.8	-179.1	160.8	0	0	0	111.4	A425 I543 C546 L547 M550 L584 A585 K586 Q590 V591 F592	A425-L588 HydrophobicContact CB-CD2 3.87Å; I543-L588 HydrophobicContact CB-CG 4.42Å; I543-L588 HydrophobicContact CG1-CG 4.37Å; I543-L588 HydrophobicContact CG2-CD1 4.04Å; I543-L588 HydrophobicContact CG2-CD2 4.23Å; I543-L588 HydrophobicContact CG2-CG 3.9Å; C546-L588 HydrophobicContact CB-CB 3.97Å; C546-L588 HydrophobicContact CB-CD1 4.06Å; C546-L588 HydrophobicContact CB-CG 4.4Å; L547-L588 HydrophobicContact CD1-CD1 4.33Å; L547-L588 HydrophobicContact CD2-CD1 3.67Å; L547-L588 HydrophobicContact CG-CD1 3.54Å; M550-L588 HydrophobicContact SD-CD1 4.31Å; L584-L588 WeakPolarHBondContact O-CB 3.3Å; L584-L588 PolarHBondContact O-N 3.08Å; A585-L588 PolarHBondContact O-N 3.2Å; K586-L588 VanDerWaalsContact C-N 3.34Å; K586-L588 PolarHBondContact O-N 3.16Å; L588-Q590 VanDerWaalsContact C-N 3.3Å; L588-Q590 PolarHBondContact O-N 2.88Å; L588-V591 PolarHBondContact O-N 3.32Å; L588-F592 PolarHBondContact O-N 3.28Å
589	L	96.4	Very high	96.4	Very high	25 Å²	25	56.5 Å²	56.5	13%	0.131	27%	0.273	C	S	.	.	H	α-helix	trans	-67.5	-33.5	-178.5	-67.1	167.6	0	0	0	111.9	P395 A396 V399 A425 A585 K586 F592 Q593	P395-L589 HydrophobicContact CB-CD2 4.21Å; A396-L589 HydrophobicContact CB-CD1 4.34Å; A396-L589 HydrophobicContact CB-CD2 4.36Å; V399-L589 HydrophobicContact CG2-CD1 3.83Å; A425-L589 HydrophobicContact CB-CD2 4.41Å; A585-L589 WeakPolarHBondContact O-CG 3.19Å; A585-L589 PolarHBondContact O-N 2.83Å; K586-L589 PolarHBondContact O-N 2.86Å; L589-F592 PolarHBondContact O-N 2.98Å; L589-Q593 WeakPolarHBondContact O-CB 3.41Å; L589-Q593 WeakPolarHBondContact O-CG 3.44Å; L589-Q593 PolarHBondContact O-N 2.94Å
590	Q	96.4	Very high	96.4	Very high	101 Å²	101	52.4 Å²	52.4	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-50.2	172.9	-174.4	-179.1	0.2	0	0	111.2	K586 R587 L588 F592 Q593 E594	K586-Q590 WeakPolarHBondContact O-CB 3.48Å; K586-Q590 PolarHBondContact O-N 2.91Å; R587-Q590 PolarHBondContact O-N 3.25Å; L588-Q590 VanDerWaalsContact C-N 3.3Å; L588-Q590 PolarHBondContact O-N 2.88Å; Q590-F592 VanDerWaalsContact C-N 3.29Å; Q590-F592 PolarHBondContact O-N 3.32Å; Q590-Q593 PolarHBondContact O-N 2.83Å; Q590-Q593 VanDerWaalsContact O-N 3.17Å; Q590-E594 HydrophobicContact CG-CG 4.22Å; Q590-E594 WeakPolarHBondContact CG-OE1 3.23Å; Q590-E594 WeakPolarHBondContact CG-OE2 3.25Å; Q590-E594 PolarHBondContact NE2-OE1 2.73Å; Q590-E594 VanDerWaalsContact NE2-OE1 3.1Å; Q590-E594 PolarHBondContact NE2-OE2 2.91Å; Q590-E594 WeakPolarHBondContact O-CB 3.35Å; Q590-E594 PolarHBondContact O-N 3.09Å
591	V	97.6	Very high	96.3	Very high	13 Å²	13	54.4 Å²	54.4	8%	0.079	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-42.6	175.8	172.5	0	0	0	0	110.9	Q542 I543 R587 L588 Q593 E595 C596	Q542-V591 HydrophobicContact CB-CG1 4.29Å; I543-V591 HydrophobicContact CD1-CG1 4.32Å; I543-V591 HydrophobicContact CG1-CB 4.36Å; I543-V591 HydrophobicContact CG1-CG1 3.96Å; R587-V591 WeakPolarHBondContact O-CG2 3.49Å; R587-V591 PolarHBondContact O-N 3.08Å; L588-V591 PolarHBondContact O-N 3.32Å; V591-Q593 PolarHBondContact O-N 2.89Å; V591-E595 HydrophobicContact CG1-CB 4.28Å; V591-E595 HydrophobicContact CG1-CG 4.4Å; V591-E595 WeakPolarHBondContact O-CA 3.36Å; V591-E595 VanDerWaalsContact O-CB 3.28Å; V591-E595 WeakPolarHBondContact O-CB 3.43Å; V591-E595 PolarHBondContact O-N 3.13Å; V591-C596 PolarHBondContact O-N 3.14Å
592	F	97.5	Very high	96.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.	I	π-helix	trans	-58.1	-47.9	175.6	173.4	-106.2	0	0	0	112	F392 P395 A425 L428 A429 L432 I543 L588 L589 Q590 C596 V597	F392-F592 HydrophobicContact CD2-CZ 4.49Å; F392-F592 HydrophobicContact CE2-CE1 4.26Å; F392-F592 AromaticContact CE2-CZ 3.92Å; F392-F592 HydrophobicContact CE2-CZ 3.92Å; F392-F592 HydrophobicContact CZ-CZ 4.47Å; P395-F592 HydrophobicContact CG-CE1 4.08Å; P395-F592 HydrophobicContact CG-CZ 4.39Å; A425-F592 HydrophobicContact CB-CB 4.22Å; A425-F592 HydrophobicContact CB-CD1 4.26Å; A425-F592 HydrophobicContact CB-CD2 4Å; A425-F592 HydrophobicContact CB-CE2 4.47Å; A425-F592 HydrophobicContact CB-CG 3.88Å; A425-F592 WeakPolarHBondContact O-CD2 3.4Å; A425-F592 WeakPolarHBondContact O-CE2 3.44Å; L428-F592 HydrophobicContact CB-CE2 3.67Å; L428-F592 HydrophobicContact CB-CZ 3.87Å; L428-F592 HydrophobicContact CD1-CZ 4.04Å; A429-F592 HydrophobicContact CB-CD2 4.15Å; A429-F592 HydrophobicContact CB-CE2 4.43Å; L432-F592 HydrophobicContact CD1-CE2 4.39Å; I543-F592 HydrophobicContact CD1-CB 4.12Å; L588-F592 PolarHBondContact O-N 3.28Å; L589-F592 PolarHBondContact O-N 2.98Å; Q590-F592 VanDerWaalsContact C-N 3.29Å; Q590-F592 PolarHBondContact O-N 3.32Å; F592-C596 HydrophobicContact CD2-CB 4.25Å; F592-C596 WeakPolarHBondContact O-CA 3.47Å; F592-C596 WeakPolarHBondContact O-CB 3.27Å; F592-C596 PolarHBondContact O-N 3.4Å; F592-V597 HydrophobicContact CD1-CG2 4.17Å; F592-V597 HydrophobicContact CE1-CG2 3.65Å; F592-V597 HydrophobicContact CE2-CG2 4.07Å; F592-V597 HydrophobicContact CZ-CG2 3.6Å; F592-V597 PolarHBondContact O-N 2.87Å
593	Q	96.3	Very high	96.1	Very high	48 Å²	48	56.2 Å²	56.2	22%	0.224	27%	0.27	C	S	.	.	I	π-helix	trans	-70.7	-52.4	-177.9	-73.8	-61.3	-27.1	0	0	113	D394 L589 Q590 V591 Q598	D394-Q593 PolarHBondContact OD1-NE2 3.29Å; D394-Q593 PolarHBondContact OD2-NE2 2.67Å; L589-Q593 WeakPolarHBondContact O-CB 3.41Å; L589-Q593 WeakPolarHBondContact O-CG 3.44Å; L589-Q593 PolarHBondContact O-N 2.94Å; Q590-Q593 PolarHBondContact O-N 2.83Å; Q590-Q593 VanDerWaalsContact O-N 3.17Å; V591-Q593 PolarHBondContact O-N 2.89Å; Q593-Q598 WeakPolarHBondContact O-CG 3.42Å; Q593-Q598 PolarHBondContact O-N 2.7Å; Q593-Q598 VanDerWaalsContact O-N 3.1Å
594	E	95	Very high	96	Very high	85 Å²	85	51.8 Å²	51.8	40%	0.397	25%	0.25	S	S	.	.	I	π-helix	trans	-76	-43.2	-172.8	-66	174.8	-177.1	0	0	111.8	Q590	Q590-E594 HydrophobicContact CG-CG 4.22Å; Q590-E594 WeakPolarHBondContact CG-OE1 3.23Å; Q590-E594 WeakPolarHBondContact CG-OE2 3.25Å; Q590-E594 PolarHBondContact NE2-OE1 2.73Å; Q590-E594 VanDerWaalsContact NE2-OE1 3.1Å; Q590-E594 PolarHBondContact NE2-OE2 2.91Å; Q590-E594 WeakPolarHBondContact O-CB 3.35Å; Q590-E594 PolarHBondContact O-N 3.09Å
595	E	95.3	Very high	95.8	Very high	73 Å²	73	55 Å²	55	34%	0.341	27%	0.271	S	S	.	.	I	π-helix	trans	-97.3	-25.4	-172.1	-58	-67.1	139	0	0	113.6	S539 V591 K599	S539-E595 WeakPolarHBondContact OG-CB 3.4Å; V591-E595 HydrophobicContact CG1-CB 4.28Å; V591-E595 HydrophobicContact CG1-CG 4.4Å; V591-E595 WeakPolarHBondContact O-CA 3.36Å; V591-E595 VanDerWaalsContact O-CB 3.28Å; V591-E595 WeakPolarHBondContact O-CB 3.43Å; V591-E595 PolarHBondContact O-N 3.13Å; E595-K599 WeakPolarHBondContact O-CB 3.41Å; E595-K599 WeakPolarHBondContact O-CD 3.5Å; E595-K599 WeakPolarHBondContact O-CE 3.37Å; E595-K599 VanDerWaalsContact O-CG 3.26Å; E595-K599 WeakPolarHBondContact O-CG 3.34Å; E595-K599 WeakPolarHBondContact OE2-CE 3.32Å; E595-K599 IonicContact OE2-NZ 3.89Å; E595-K599 PolarHBondContact OE2-NZ 3.03Å
596	C	96.2	Very high	95.7	Very high	14 Å²	14	57.2 Å²	57.2	10%	0.095	28%	0.283	C	S	.	.	I	π-helix	trans	-100.6	-58.5	179.1	-48.4	0	0	0	0	111.6	A429 L432 V591 F592 Y600	A429-C596 HydrophobicContact CB-CB 4.26Å; L432-C596 HydrophobicContact CD1-CB 4.49Å; V591-C596 PolarHBondContact O-N 3.14Å; F592-C596 HydrophobicContact CD2-CB 4.25Å; F592-C596 WeakPolarHBondContact O-CA 3.47Å; F592-C596 WeakPolarHBondContact O-CB 3.27Å; F592-C596 PolarHBondContact O-N 3.4Å; C596-Y600 WeakPolarHBondContact O-CB 3.31Å; C596-Y600 PolarHBondContact O-N 2.96Å
597	V	96.3	Very high	95.6	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.036	25%	0.253	C	S	.	.	I	π-helix	trans	-67.9	-50.5	-172.8	176.6	0	0	0	0	111.9	F392 L432 F592 K599 Y600 Q601	F392-V597 HydrophobicContact CE2-CG2 4.17Å; F392-V597 HydrophobicContact CZ-CG1 4.07Å; F392-V597 HydrophobicContact CZ-CG2 3.76Å; L432-V597 HydrophobicContact CD1-CG2 4.07Å; F592-V597 HydrophobicContact CD1-CG2 4.17Å; F592-V597 HydrophobicContact CE1-CG2 3.65Å; F592-V597 HydrophobicContact CE2-CG2 4.07Å; F592-V597 HydrophobicContact CZ-CG2 3.6Å; F592-V597 PolarHBondContact O-N 2.87Å; V597-K599 PolarHBondContact O-N 2.94Å; V597-Y600 PolarHBondContact O-N 3.43Å; V597-Q601 HydrophobicContact CG1-CG 4.45Å; V597-Q601 WeakPolarHBondContact O-CG 3.4Å; V597-Q601 PolarHBondContact O-N 2.93Å
598	Q	95.3	Very high	95.4	Very high	114 Å²	114	45 Å²	45	53%	0.533	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-43.5	-178.6	-69.6	176.8	14.1	0	0	112.2	Q593 Y600 Q601 A602	Q593-Q598 WeakPolarHBondContact O-CG 3.42Å; Q593-Q598 PolarHBondContact O-N 2.7Å; Q593-Q598 VanDerWaalsContact O-N 3.1Å; Q598-Y600 VanDerWaalsContact C-N 3.34Å; Q598-Y600 PolarHBondContact O-N 3.07Å; Q598-Q601 PolarHBondContact O-N 3.01Å; Q598-A602 WeakPolarHBondContact O-CB 3.35Å; Q598-A602 PolarHBondContact O-N 2.91Å
599	K	94	Very high	95.1	Very high	81 Å²	81	50.5 Å²	50.5	35%	0.352	26%	0.261	S	S	.	.	H	α-helix	trans	-62	-41.7	175	-67.2	-167.6	-162.1	161	0	112	Q436 D537 E595 V597 A602 S603	Q436-K599 PolarHBondContact NE2-O 3.41Å; D537-K599 IonicContact OD2-NZ 2.66Å; D537-K599 PolarHBondContact OD2-NZ 3.14Å; E595-K599 WeakPolarHBondContact O-CB 3.41Å; E595-K599 WeakPolarHBondContact O-CD 3.5Å; E595-K599 WeakPolarHBondContact O-CE 3.37Å; E595-K599 VanDerWaalsContact O-CG 3.26Å; E595-K599 WeakPolarHBondContact O-CG 3.34Å; E595-K599 WeakPolarHBondContact OE2-CE 3.32Å; E595-K599 IonicContact OE2-NZ 3.89Å; E595-K599 PolarHBondContact OE2-NZ 3.03Å; V597-K599 PolarHBondContact O-N 2.94Å; K599-A602 PolarHBondContact O-N 3.09Å; K599-S603 WeakPolarHBondContact O-CB 3.47Å; K599-S603 PolarHBondContact O-N 3.28Å
600	Y	95.3	Very high	95	Very high	10 Å²	10	50.1 Å²	50.1	4%	0.039	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-48.2	174.6	177.1	-93.6	0	0	0	111.9	G389 L390 L432 Q436 M439 C596 V597 Q598 A602 S603 L604	G389-Y600 WeakPolarHBondContact CA-OH 3.41Å; L390-Y600 PolarHBondContact N-OH 3.25Å; L390-Y600 VanDerWaalsContact N-OH 3.16Å; L432-Y600 HydrophobicContact CB-CD2 3.85Å; L432-Y600 HydrophobicContact CB-CE2 4.49Å; L432-Y600 HydrophobicContact CB-CG 4.12Å; L432-Y600 HydrophobicContact CD2-CD1 3.68Å; L432-Y600 HydrophobicContact CD2-CD2 3.8Å; L432-Y600 HydrophobicContact CD2-CE1 3.85Å; L432-Y600 HydrophobicContact CD2-CE2 3.97Å; L432-Y600 HydrophobicContact CD2-CG 3.65Å; L432-Y600 HydrophobicContact CG-CD2 4.37Å; L432-Y600 HydrophobicContact CG-CG 4.3Å; L432-Y600 WeakPolarHBondContact O-CD2 3.44Å; Q436-Y600 HydrophobicContact CG-CD2 3.85Å; Q436-Y600 HydrophobicContact CG-CE2 4.4Å; M439-Y600 HydrophobicContact CE-CE2 4.11Å; C596-Y600 WeakPolarHBondContact O-CB 3.31Å; C596-Y600 PolarHBondContact O-N 2.96Å; V597-Y600 PolarHBondContact O-N 3.43Å; Q598-Y600 VanDerWaalsContact C-N 3.34Å; Q598-Y600 PolarHBondContact O-N 3.07Å; Y600-A602 PolarHBondContact O-N 3.14Å; Y600-S603 WeakPolarHBondContact O-CB 3.47Å; Y600-S603 PolarHBondContact O-N 2.87Å; Y600-L604 HydrophobicContact CE1-CD2 4.3Å; Y600-L604 WeakPolarHBondContact O-CB 3.29Å; Y600-L604 PolarHBondContact O-N 3.25Å
601	Q	95.1	Very high	94.8	Very high	112 Å²	112	45.6 Å²	45.6	52%	0.523	24%	0.237	S	C	.	.	H	α-helix	trans	-61.2	-43.4	178.3	-72.4	175.1	-12.6	0	0	112.1	V597 Q598 S603 L604 V605	V597-Q601 HydrophobicContact CG1-CG 4.45Å; V597-Q601 WeakPolarHBondContact O-CG 3.4Å; V597-Q601 PolarHBondContact O-N 2.93Å; Q598-Q601 PolarHBondContact O-N 3.01Å; Q601-S603 VanDerWaalsContact C-N 3.34Å; Q601-S603 PolarHBondContact O-N 2.7Å; Q601-L604 PolarHBondContact O-N 3.36Å; Q601-V605 WeakPolarHBondContact O-CG2 3.2Å; Q601-V605 PolarHBondContact O-N 3.02Å
602	A	94.2	Very high	94.6	Very high	57 Å²	57	52.2 Å²	52.2	47%	0.471	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-40.9	175.2	0	0	0	0	0	112.2	Q598 K599 Y600 V605 T606	Q598-A602 WeakPolarHBondContact O-CB 3.35Å; Q598-A602 PolarHBondContact O-N 2.91Å; K599-A602 PolarHBondContact O-N 3.09Å; Y600-A602 PolarHBondContact O-N 3.14Å; A602-V605 PolarHBondContact O-N 3.36Å; A602-T606 PolarHBondContact O-N 3.11Å; A602-T606 VanDerWaalsContact O-N 3.09Å; A602-T606 PolarHBondContact O-OG1 2.86Å
603	S	94.1	Very high	94.3	Very high	17 Å²	17	54.7 Å²	54.7	12%	0.119	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-43.2	174.2	-174.1	0	0	0	0	111.5	K599 Y600 Q601 V605 T606 H607	K599-S603 WeakPolarHBondContact O-CB 3.47Å; K599-S603 PolarHBondContact O-N 3.28Å; Y600-S603 WeakPolarHBondContact O-CB 3.47Å; Y600-S603 PolarHBondContact O-N 2.87Å; Q601-S603 VanDerWaalsContact C-N 3.34Å; Q601-S603 PolarHBondContact O-N 2.7Å; S603-V605 PolarHBondContact O-N 3.38Å; S603-T606 CarbonylContact O-C 3.59Å; S603-T606 PolarHBondContact O-N 2.78Å; S603-H607 VanDerWaalsContact O-CB 3.27Å; S603-H607 WeakPolarHBondContact O-CB 3.46Å; S603-H607 PolarHBondContact O-N 2.86Å
604	L	94.6	Very high	94.1	Very high	27 Å²	27	52.4 Å²	52.4	14%	0.141	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-41.9	178.6	-171.4	67.9	0	0	0	112.5	A319 P387 M439 Y600 Q601 T606 H607 G608	A319-L604 HydrophobicContact CB-CD1 3.52Å; P387-L604 HydrophobicContact CB-CD1 3.68Å; P387-L604 HydrophobicContact CB-CG 4.06Å; M439-L604 HydrophobicContact SD-CD1 4.01Å; Y600-L604 HydrophobicContact CE1-CD2 4.3Å; Y600-L604 WeakPolarHBondContact O-CB 3.29Å; Y600-L604 PolarHBondContact O-N 3.25Å; Q601-L604 PolarHBondContact O-N 3.36Å; L604-T606 VanDerWaalsContact C-N 3.34Å; L604-H607 WeakPolarHBondContact O-CB 3.09Å; L604-H607 PolarHBondContact O-N 2.79Å; L604-G608 PolarHBondContact O-N 3.01Å
605	V	94.3	Very high	93.9	Very high	90 Å²	90	49.6 Å²	49.6	55%	0.545	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-44.4	174.8	171.5	0	0	0	0	110.7	Q601 A602 S603 G608 K609	Q601-V605 WeakPolarHBondContact O-CG2 3.2Å; Q601-V605 PolarHBondContact O-N 3.02Å; A602-V605 PolarHBondContact O-N 3.36Å; S603-V605 PolarHBondContact O-N 3.38Å; V605-G608 PolarHBondContact O-N 3.41Å; V605-K609 PolarHBondContact O-N 2.85Å; V605-K609 VanDerWaalsContact O-N 3.15Å
606	T	93.9	Very high	93.7	Very high	54 Å²	54	52.1 Å²	52.1	33%	0.331	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-43.7	178	-56.5	0	0	0	0	111	A602 S603 L604 G608 K609 R610	A602-T606 PolarHBondContact O-N 3.11Å; A602-T606 VanDerWaalsContact O-N 3.09Å; A602-T606 PolarHBondContact O-OG1 2.86Å; S603-T606 CarbonylContact O-C 3.59Å; S603-T606 PolarHBondContact O-N 2.78Å; L604-T606 VanDerWaalsContact C-N 3.34Å; T606-G608 VanDerWaalsContact C-N 3.34Å; T606-G608 PolarHBondContact O-N 3.49Å; T606-K609 WeakPolarHBondContact O-CB 3.45Å; T606-K609 PolarHBondContact O-N 2.94Å; T606-K609 VanDerWaalsContact O-N 3.1Å; T606-R610 WeakPolarHBondContact O-CG 3.46Å; T606-R610 PolarHBondContact O-N 2.88Å
607	H	94.4	Very high	93.5	Very high	4 Å²	4	52.2 Å²	52.2	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-55.8	-46.4	173.9	-179.7	68.5	0	0	0	111.6	L316 M439 L443 S603 L604 K609 R610 M611	L316-H607 PolarHBondContact O-NE2 3.24Å; M439-H607 HydrophobicContact SD-CB 3.8Å; M439-H607 VanDerWaalsContact SD-CD2 3.57Å; M439-H607 VanDerWaalsContact SD-CG 3.52Å; L443-H607 WeakPolarHBondContact CD1-ND1 3.41Å; S603-H607 VanDerWaalsContact O-CB 3.27Å; S603-H607 WeakPolarHBondContact O-CB 3.46Å; S603-H607 PolarHBondContact O-N 2.86Å; L604-H607 WeakPolarHBondContact O-CB 3.09Å; L604-H607 PolarHBondContact O-N 2.79Å; H607-K609 VanDerWaalsContact C-N 3.31Å; H607-K609 PolarHBondContact O-N 3.26Å; H607-R610 PolarHBondContact O-N 3.28Å; H607-R610 VanDerWaalsContact O-N 3.15Å; H607-M611 WeakPolarHBondContact O-CB 3.07Å; H607-M611 WeakPolarHBondContact O-CG 3.32Å; H607-M611 PolarHBondContact O-N 2.84Å
608	G	93.2	Very high	93.3	Very high	12 Å²	12	55.6 Å²	55.6	12%	0.124	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-34.7	175.4	0	0	0	0	0	114.2	L604 V605 T606 R612	L604-G608 PolarHBondContact O-N 3.01Å; V605-G608 PolarHBondContact O-N 3.41Å; T606-G608 VanDerWaalsContact C-N 3.34Å; T606-G608 PolarHBondContact O-N 3.49Å; G608-R612 WeakPolarHBondContact O-CG 3.38Å; G608-R612 PolarHBondContact O-N 3.36Å
609	K	92.5	Very high	93.1	Very high	118 Å²	118	54.2 Å²	54.2	51%	0.513	27%	0.272	S	S	.	.	H	α-helix	trans	-66.2	-47.3	171.7	-67.3	174.5	-177.3	179.7	0	110.9	V605 T606 H607 R612 V613	V605-K609 PolarHBondContact O-N 2.85Å; V605-K609 VanDerWaalsContact O-N 3.15Å; T606-K609 WeakPolarHBondContact O-CB 3.45Å; T606-K609 PolarHBondContact O-N 2.94Å; T606-K609 VanDerWaalsContact O-N 3.1Å; H607-K609 VanDerWaalsContact C-N 3.31Å; H607-K609 PolarHBondContact O-N 3.26Å; K609-R612 PolarHBondContact O-N 3.39Å; K609-V613 PolarHBondContact O-N 3.33Å
610	R	93.4	Very high	93	Very high	17 Å²	17	53.7 Å²	53.7	6%	0.064	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-44.6	179	-65.8	179.6	173	156.4	0.8	112	L443 L523 E526 S530 T606 H607 R612 V613 V614	L443-R610 HydrophobicContact CD1-CB 3.83Å; L443-R610 HydrophobicContact CD2-CB 4.45Å; L523-R610 HydrophobicContact CD1-CG 3.97Å; E526-R610 PolarHBondContact O-NH2 2.79Å; S530-R610 PolarHBondContact OG-NH1 3.45Å; S530-R610 PolarHBondContact OG-NH2 3.4Å; T606-R610 WeakPolarHBondContact O-CG 3.46Å; T606-R610 PolarHBondContact O-N 2.88Å; H607-R610 PolarHBondContact O-N 3.28Å; H607-R610 VanDerWaalsContact O-N 3.15Å; R610-R612 VanDerWaalsContact C-N 3.32Å; R610-R612 PolarHBondContact O-N 2.88Å; R610-V613 PolarHBondContact O-N 2.83Å; R610-V614 WeakPolarHBondContact O-CG2 3.26Å; R610-V614 PolarHBondContact O-N 2.98Å
611	M	93.2	Very high	92.9	Very high	6 Å²	6	53.5 Å²	53.5	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-40.9	176.4	-77.6	-62.6	-58.8	0	0	112.3	L316 F382 L443 H607 V614 H615	L316-M611 HydrophobicContact CD2-CE 4.48Å; L316-M611 HydrophobicContact CD2-SD 3.94Å; L316-M611 HydrophobicContact CG-CE 4.38Å; L316-M611 HydrophobicContact CG-SD 3.86Å; F382-M611 HydrophobicContact CD2-CE 3.94Å; F382-M611 HydrophobicContact CE2-CE 3.56Å; F382-M611 HydrophobicContact CE2-SD 4.4Å; F382-M611 HydrophobicContact CZ-CE 4.47Å; L443-M611 HydrophobicContact CD2-CG 4.15Å; L443-M611 HydrophobicContact CD2-SD 3.45Å; L443-M611 WeakPolarHBondContact CD2-SD 3.43Å; L443-M611 HydrophobicContact CG-SD 4.26Å; H607-M611 WeakPolarHBondContact O-CB 3.07Å; H607-M611 WeakPolarHBondContact O-CG 3.32Å; H607-M611 PolarHBondContact O-N 2.84Å; M611-V614 PolarHBondContact O-N 3.41Å; M611-H615 WeakPolarHBondContact CE-NE2 3.48Å; M611-H615 WeakPolarHBondContact O-CB 3.29Å; M611-H615 PolarHBondContact O-CD2 3.34Å; M611-H615 PolarHBondContact O-N 2.82Å
612	R	91.7	Very high	92.7	Very high	151 Å²	151	56.5 Å²	56.5	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-60.8	-48.4	175.2	-78	-174.5	-73.5	162.2	-5.8	112.1	G608 K609 R610 V614 H615 E616	G608-R612 WeakPolarHBondContact O-CG 3.38Å; G608-R612 PolarHBondContact O-N 3.36Å; K609-R612 PolarHBondContact O-N 3.39Å; R610-R612 VanDerWaalsContact C-N 3.32Å; R610-R612 PolarHBondContact O-N 2.88Å; R612-V614 VanDerWaalsContact C-N 3.31Å; R612-V614 PolarHBondContact O-N 3.39Å; R612-H615 PolarHBondContact O-N 3.23Å; R612-E616 WeakPolarHBondContact O-CG 3.27Å; R612-E616 PolarHBondContact O-N 3.15Å
613	V	91.3	Very high	92.6	Very high	53 Å²	53	59 Å²	59	32%	0.321	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-43.3	177	177	0	0	0	0	111.1	L523 K609 R610 H615 E616 T617	L523-V613 HydrophobicContact CD2-CB 4.39Å; L523-V613 HydrophobicContact CD2-CG1 4.09Å; K609-V613 PolarHBondContact O-N 3.33Å; R610-V613 PolarHBondContact O-N 2.83Å; V613-H615 PolarHBondContact O-N 3.38Å; V613-E616 PolarHBondContact O-N 3.15Å; V613-T617 VanDerWaalsContact O-CB 3.24Å; V613-T617 WeakPolarHBondContact O-CB 3.49Å; V613-T617 PolarHBondContact O-N 3Å; V613-T617 PolarHBondContact O-OG1 3.31Å
614	V	92.9	Very high	92.5	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-41.5	177.2	167.4	0	0	0	0	111.6	F382 L443 V446 M447 L450 L523 R610 M611 R612 R618	F382-V614 HydrophobicContact CE2-CG1 3.93Å; F382-V614 HydrophobicContact CZ-CG1 4.01Å; L443-V614 HydrophobicContact CD2-CG2 4.12Å; V446-V614 HydrophobicContact CB-CG1 4.43Å; V446-V614 HydrophobicContact CG1-CG1 3.4Å; V446-V614 VanDerWaalsContact CG1-CG1 3.4Å; M447-V614 HydrophobicContact CG-CG2 4.01Å; M447-V614 HydrophobicContact SD-CG2 4.48Å; L450-V614 HydrophobicContact CD1-CG1 3.84Å; L523-V614 HydrophobicContact CD2-CG2 4.17Å; R610-V614 WeakPolarHBondContact O-CG2 3.26Å; R610-V614 PolarHBondContact O-N 2.98Å; M611-V614 PolarHBondContact O-N 3.41Å; R612-V614 VanDerWaalsContact C-N 3.31Å; R612-V614 PolarHBondContact O-N 3.39Å; V614-R618 VanDerWaalsContact O-CB 3.3Å; V614-R618 WeakPolarHBondContact O-CB 3.44Å; V614-R618 PolarHBondContact O-N 3.46Å
615	H	91.4	Very high	92.4	Very high	26 Å²	26	58.4 Å²	58.4	12%	0.12	28%	0.283	C	S	.	.	H	α-helix	trans	-65.5	-46.3	175.1	-77.5	-52.7	0	0	0	113.1	F382 S383 M611 R612 V613 T617 R618 N619	F382-H615 AromaticContact CE1-CE1 3.46Å; F382-H615 VanDerWaalsContact CE1-CE1 3.46Å; F382-H615 WeakPolarHBondContact CE1-CE1 3.37Å; F382-H615 AromaticContact CE1-ND1 3.59Å; F382-H615 AromaticContact CE2-CE1 3.66Å; F382-H615 AromaticContact CZ-CE1 3.12Å; F382-H615 WeakPolarHBondContact CZ-CE1 3.38Å; F382-H615 AromaticContact CZ-ND1 3.24Å; F382-H615 WeakPolarHBondContact CZ-ND1 3.37Å; S383-H615 PolarHBondContact O-CE1 2.92Å; S383-H615 PolarHBondContact O-NE2 2.97Å; M611-H615 WeakPolarHBondContact CE-NE2 3.48Å; M611-H615 WeakPolarHBondContact O-CB 3.29Å; M611-H615 PolarHBondContact O-CD2 3.34Å; M611-H615 PolarHBondContact O-N 2.82Å; R612-H615 PolarHBondContact O-N 3.23Å; V613-H615 PolarHBondContact O-N 3.38Å; H615-T617 VanDerWaalsContact C-N 3.33Å; H615-R618 PolarHBondContact O-N 2.98Å; H615-N619 PolarHBondContact O-N 3.09Å; H615-N619 PolarHBondContact O-ND2 3.41Å
616	E	91.4	Very high	92.3	Very high	126 Å²	126	58 Å²	58	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-60.5	-45.8	177.1	-73.6	168.3	-171.2	0	0	110.6	R612 V613 R618 N619 H620	R612-E616 WeakPolarHBondContact O-CG 3.27Å; R612-E616 PolarHBondContact O-N 3.15Å; V613-E616 PolarHBondContact O-N 3.15Å; E616-R618 PolarHBondContact O-N 3.24Å; E616-N619 PolarHBondContact O-N 3.11Å; E616-H620 WeakPolarHBondContact O-CB 3.44Å; E616-H620 PolarHBondContact O-N 2.84Å
617	T	91.8	Very high	92.2	Very high	16 Å²	16	58.1 Å²	58.1	10%	0.098	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-46	176.4	-60.6	0	0	0	0	111.5	L450 T516 L520 V613 H615 N619 H620 L621	L450-T617 HydrophobicContact CD1-CG2 4.34Å; T516-T617 HydrophobicContact CG2-CG2 3.39Å; L520-T617 HydrophobicContact CD1-CG2 3.82Å; L520-T617 HydrophobicContact CD2-CG2 3.88Å; L520-T617 HydrophobicContact CG-CG2 3.94Å; V613-T617 VanDerWaalsContact O-CB 3.24Å; V613-T617 WeakPolarHBondContact O-CB 3.49Å; V613-T617 PolarHBondContact O-N 3Å; V613-T617 PolarHBondContact O-OG1 3.31Å; H615-T617 VanDerWaalsContact C-N 3.33Å; T617-N619 PolarHBondContact O-N 3.36Å; T617-H620 PolarHBondContact O-N 3.39Å; T617-L621 HydrophobicContact CG2-CD1 3.91Å; T617-L621 HydrophobicContact CG2-CG 4.35Å; T617-L621 WeakPolarHBondContact O-CB 3.25Å; T617-L621 WeakPolarHBondContact O-CG 3.28Å; T617-L621 PolarHBondContact O-N 2.9Å
618	R	92.3	Very high	92.1	Very high	76 Å²	76	58 Å²	58	29%	0.287	29%	0.286	S	S	.	.	H	α-helix	trans	-60.1	-47.1	176.9	179	-173.8	171.5	134.2	9.1	112.1	E351 L450 V614 H615 E616 H620 L621 R622	E351-R618 IonicContact OE1-CZ 3.3Å; E351-R618 VanDerWaalsContact OE1-CZ 3.3Å; E351-R618 IonicContact OE1-NH1 3.04Å; E351-R618 IonicContact OE1-NH2 2.63Å; E351-R618 PolarHBondContact OE1-NH2 2.97Å; E351-R618 IonicContact OE2-CZ 3.04Å; E351-R618 IonicContact OE2-NH1 3.24Å; E351-R618 PolarHBondContact OE2-NH1 3.34Å; E351-R618 IonicContact OE2-NH2 2.64Å; E351-R618 PolarHBondContact OE2-NH2 3.34Å; L450-R618 HydrophobicContact CD1-CB 4.48Å; L450-R618 HydrophobicContact CD2-CB 3.89Å; L450-R618 HydrophobicContact CD2-CG 4.11Å; V614-R618 VanDerWaalsContact O-CB 3.3Å; V614-R618 WeakPolarHBondContact O-CB 3.44Å; V614-R618 PolarHBondContact O-N 3.46Å; H615-R618 PolarHBondContact O-N 2.98Å; E616-R618 PolarHBondContact O-N 3.24Å; R618-H620 VanDerWaalsContact C-N 3.32Å; R618-H620 PolarHBondContact O-N 2.96Å; R618-L621 PolarHBondContact O-N 3.04Å; R618-R622 PolarHBondContact O-N 2.86Å
619	N	91.3	Very high	92.1	Very high	85 Å²	85	60 Å²	60	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-41.6	178.8	-74.3	-22	0	0	0	111.3	H615 E616 T617 R622 L623	H615-N619 PolarHBondContact O-N 3.09Å; H615-N619 PolarHBondContact O-ND2 3.41Å; E616-N619 PolarHBondContact O-N 3.11Å; T617-N619 PolarHBondContact O-N 3.36Å; N619-R622 PolarHBondContact O-N 3.13Å; N619-L623 WeakPolarHBondContact O-CG 3.49Å; N619-L623 PolarHBondContact O-N 2.69Å; N619-L623 VanDerWaalsContact O-N 3.12Å
620	H	91.8	Very high	92	Very high	71 Å²	71	57.2 Å²	57.2	33%	0.329	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-50.5	175.1	-176.9	71.2	0	0	0	111.6	E616 T617 R618 R622 L623 V624	E616-H620 WeakPolarHBondContact O-CB 3.44Å; E616-H620 PolarHBondContact O-N 2.84Å; T617-H620 PolarHBondContact O-N 3.39Å; R618-H620 VanDerWaalsContact C-N 3.32Å; R618-H620 PolarHBondContact O-N 2.96Å; H620-R622 VanDerWaalsContact C-N 3.29Å; H620-R622 PolarHBondContact O-N 3.35Å; H620-L623 PolarHBondContact O-N 3.29Å; H620-L623 VanDerWaalsContact O-N 3.11Å; H620-V624 WeakPolarHBondContact O-CG2 3.48Å; H620-V624 PolarHBondContact O-N 3.03Å
621	L	91.8	Very high	91.9	Very high	6 Å²	6	57 Å²	57	3%	0.031	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-36.5	178.5	-73.3	171.6	0	0	0	112.6	L450 C454 T516 T617 R618 V624 G625	L450-L621 HydrophobicContact CB-CD1 4.4Å; L450-L621 HydrophobicContact CD2-CD1 4.21Å; C454-L621 WeakPolarHBondContact SG-CD1 3.31Å; C454-L621 VanDerWaalsContact SG-CD2 3.52Å; T516-L621 HydrophobicContact CG2-CD1 4.31Å; T516-L621 HydrophobicContact CG2-CD2 4.07Å; T516-L621 HydrophobicContact CG2-CG 4.15Å; T617-L621 HydrophobicContact CG2-CD1 3.91Å; T617-L621 HydrophobicContact CG2-CG 4.35Å; T617-L621 WeakPolarHBondContact O-CB 3.25Å; T617-L621 WeakPolarHBondContact O-CG 3.28Å; T617-L621 PolarHBondContact O-N 2.9Å; R618-L621 PolarHBondContact O-N 3.04Å; L621-V624 PolarHBondContact O-N 3.36Å; L621-G625 PolarHBondContact O-N 3.29Å
622	R	91.4	Very high	91.6	Very high	174 Å²	174	57.9 Å²	57.9	66%	0.657	31%	0.306	S	S	*	.	H	α-helix	trans	-61.8	-46.4	173.7	-168.4	-178	72.7	161.7	3.1	111.5	R618 N619 H620 G625 C626	R618-R622 PolarHBondContact O-N 2.86Å; N619-R622 PolarHBondContact O-N 3.13Å; H620-R622 VanDerWaalsContact C-N 3.29Å; H620-R622 PolarHBondContact O-N 3.35Å; R622-G625 PolarHBondContact O-N 3.08Å; R622-C626 PolarHBondContact O-N 3.39Å; R622-C626 PolarHBondContact O-SG 3.44Å
623	L	92.9	Very high	91.6	Very high	110 Å²	110	55.3 Å²	55.3	58%	0.576	31%	0.307	S	S	*	.	H	α-helix	trans	-63.8	-46	178.1	-71.3	168.6	0	0	0	111.6	N619 H620 G625 C626 S627	N619-L623 WeakPolarHBondContact O-CG 3.49Å; N619-L623 PolarHBondContact O-N 2.69Å; N619-L623 VanDerWaalsContact O-N 3.12Å; H620-L623 PolarHBondContact O-N 3.29Å; H620-L623 VanDerWaalsContact O-N 3.11Å; L623-G625 VanDerWaalsContact C-N 3.35Å; L623-G625 PolarHBondContact O-N 2.73Å; L623-C626 PolarHBondContact O-N 3.45Å; L623-S627 PolarHBondContact O-N 3.19Å; L623-S627 PolarHBondContact O-OG 3.4Å
624	V	92.1	Very high	91.5	Very high	10 Å²	10	57.5 Å²	57.5	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-63.5	-41.9	178.1	176.4	0	0	0	0	111.1	C509 I513 H620 L621 C626 S627 V628	C509-V624 HydrophobicContact CB-CG1 4Å; I513-V624 HydrophobicContact CD1-CG1 3.78Å; I513-V624 HydrophobicContact CG1-CG1 3.7Å; H620-V624 WeakPolarHBondContact O-CG2 3.48Å; H620-V624 PolarHBondContact O-N 3.03Å; L621-V624 PolarHBondContact O-N 3.36Å; V624-C626 PolarHBondContact O-N 2.79Å; V624-S627 WeakPolarHBondContact O-CB 3.29Å; V624-S627 PolarHBondContact O-N 3.06Å; V624-V628 HydrophobicContact CG1-CG2 4.36Å; V624-V628 WeakPolarHBondContact O-CG2 3.13Å; V624-V628 PolarHBondContact O-N 3.29Å
625	G	91.8	Very high	91.2	Very high	22 Å²	22	57.7 Å²	57.7	23%	0.227	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-44.2	174.9	0	0	0	0	0	112.9	L621 R622 L623 S627 V628 A629	L621-G625 PolarHBondContact O-N 3.29Å; R622-G625 PolarHBondContact O-N 3.08Å; L623-G625 VanDerWaalsContact C-N 3.35Å; L623-G625 PolarHBondContact O-N 2.73Å; G625-S627 PolarHBondContact O-N 2.99Å; G625-V628 PolarHBondContact O-N 3.28Å; G625-A629 WeakPolarHBondContact O-CB 3.45Å; G625-A629 PolarHBondContact O-N 2.96Å
626	C	92.9	Very high	90.9	Very high	81 Å²	81	62.2 Å²	62.2	55%	0.547	34%	0.337	S	S	.	.	H	α-helix	trans	-60.7	-43.6	173.5	-69.6	0	0	0	0	112	R622 L623 V624 A629 A630	R622-C626 PolarHBondContact O-N 3.39Å; R622-C626 PolarHBondContact O-SG 3.44Å; L623-C626 PolarHBondContact O-N 3.45Å; V624-C626 PolarHBondContact O-N 2.79Å; C626-A629 PolarHBondContact O-N 2.87Å; C626-A630 WeakPolarHBondContact O-CB 3.45Å; C626-A630 PolarHBondContact O-N 3.41Å
627	S	91.9	Very high	90.7	Very high	56 Å²	56	57.7 Å²	57.7	39%	0.392	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-42.7	177	-63.5	0	0	0	0	112.1	L623 V624 G625 A630 C631	L623-S627 PolarHBondContact O-N 3.19Å; L623-S627 PolarHBondContact O-OG 3.4Å; V624-S627 WeakPolarHBondContact O-CB 3.29Å; V624-S627 PolarHBondContact O-N 3.06Å; G625-S627 PolarHBondContact O-N 2.99Å; S627-A630 PolarHBondContact O-N 2.92Å; S627-C631 WeakPolarHBondContact O-CB 3.35Å; S627-C631 PolarHBondContact O-N 3.27Å; S627-C631 PolarHBondContact O-SG 3.18Å
628	V	91.8	Very high	90.3	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-45.2	176	171	0	0	0	0	110.7	T457 V460 A461 L506 C509 V624 G625 C631 N632	T457-V628 HydrophobicContact CG2-CG2 4.39Å; V460-V628 HydrophobicContact CG1-CG1 3.87Å; A461-V628 HydrophobicContact CB-CG1 4.11Å; A461-V628 HydrophobicContact CB-CG2 4.09Å; L506-V628 HydrophobicContact CD2-CB 4.33Å; L506-V628 HydrophobicContact CD2-CG1 4.06Å; L506-V628 HydrophobicContact CD2-CG2 4.18Å; C509-V628 HydrophobicContact CB-CG2 3.89Å; V624-V628 HydrophobicContact CG1-CG2 4.36Å; V624-V628 WeakPolarHBondContact O-CG2 3.13Å; V624-V628 PolarHBondContact O-N 3.29Å; G625-V628 PolarHBondContact O-N 3.28Å; V628-C631 PolarHBondContact O-N 2.79Å; V628-N632 WeakPolarHBondContact O-CB 3.21Å; V628-N632 PolarHBondContact O-N 3.01Å; V628-N632 PolarHBondContact O-OD1 3.34Å
629	A	91.8	Very high	89.8	Confident	54 Å²	54	54.9 Å²	54.9	45%	0.446	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-42.4	178.1	0	0	0	0	0	112.6	G625 C626 N632 T633	G625-A629 WeakPolarHBondContact O-CB 3.45Å; G625-A629 PolarHBondContact O-N 2.96Å; C626-A629 PolarHBondContact O-N 2.87Å; A629-N632 PolarHBondContact O-N 3.06Å; A629-T633 PolarHBondContact O-N 2.92Å; A629-T633 PolarHBondContact O-OG1 3.17Å
630	A	91.7	Very high	89.4	Confident	59 Å²	59	56.4 Å²	56.4	49%	0.488	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-47.1	175.7	0	0	0	0	0	111.4	C626 S627 N632 T633 E634	C626-A630 WeakPolarHBondContact O-CB 3.45Å; C626-A630 PolarHBondContact O-N 3.41Å; S627-A630 PolarHBondContact O-N 2.92Å; A630-N632 VanDerWaalsContact C-N 3.29Å; A630-N632 PolarHBondContact O-N 3.37Å; A630-T633 PolarHBondContact O-N 3.27Å; A630-E634 PolarHBondContact O-N 3.19Å
631	C	90.1	Very high	89	Confident	11 Å²	11	55.3 Å²	55.3	7%	0.074	32%	0.319	C	S	.	.	H	α-helix	trans	-59.8	-40.1	176.6	-68.7	0	0	0	0	111.8	L502 V505 L506 S627 V628 A635	L502-C631 HydrophobicContact CD2-CB 4.3Å; V505-C631 VanDerWaalsContact CG1-SG 3.52Å; L506-C631 HydrophobicContact CD1-CB 4.41Å; L506-C631 HydrophobicContact CD2-CB 3.88Å; L506-C631 HydrophobicContact CG-CB 3.99Å; S627-C631 WeakPolarHBondContact O-CB 3.35Å; S627-C631 PolarHBondContact O-N 3.27Å; S627-C631 PolarHBondContact O-SG 3.18Å; V628-C631 PolarHBondContact O-N 2.79Å; C631-A635 WeakPolarHBondContact O-CB 3.42Å; C631-A635 PolarHBondContact O-N 2.77Å
632	N	88.1	Confident	88.3	Confident	26 Å²	26	56.3 Å²	56.3	14%	0.139	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-43.6	177.3	-74.8	-6.8	0	0	0	112.3	V460 S464 V628 A629 A630 A635 Q636	V460-N632 VanDerWaalsContact CG1-ND2 3.31Å; V460-N632 WeakPolarHBondContact CG1-ND2 3.49Å; S464-N632 WeakPolarHBondContact CB-OD1 3.39Å; S464-N632 PolarHBondContact OG-ND2 3.38Å; S464-N632 VanDerWaalsContact OG-ND2 3.08Å; S464-N632 PolarHBondContact OG-OD1 3.34Å; V628-N632 WeakPolarHBondContact O-CB 3.21Å; V628-N632 PolarHBondContact O-N 3.01Å; V628-N632 PolarHBondContact O-OD1 3.34Å; A629-N632 PolarHBondContact O-N 3.06Å; A630-N632 VanDerWaalsContact C-N 3.29Å; A630-N632 PolarHBondContact O-N 3.37Å; N632-A635 PolarHBondContact O-N 3.44Å; N632-Q636 WeakPolarHBondContact O-CG 3.33Å; N632-Q636 PolarHBondContact O-N 3.27Å
633	T	90.6	Very high	87.6	Confident	97 Å²	97	50.5 Å²	50.5	60%	0.595	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-43.5	179	-51.4	0	0	0	0	110.7	A629 A630 Q636 G637	A629-T633 PolarHBondContact O-N 2.92Å; A629-T633 PolarHBondContact O-OG1 3.17Å; A630-T633 PolarHBondContact O-N 3.27Å; T633-Q636 PolarHBondContact O-N 3.47Å; T633-G637 PolarHBondContact O-N 2.74Å
634	E	90.1	Very high	86.9	Confident	98 Å²	98	51.9 Å²	51.9	46%	0.458	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-43.5	177	-167.9	178.5	165.7	0	0	111.8	L502 A630 Q636 G637 V638	L502-E634 HydrophobicContact CD1-CB 4.2Å; L502-E634 HydrophobicContact CD1-CG 4.03Å; L502-E634 HydrophobicContact CD2-CB 4.39Å; L502-E634 HydrophobicContact CD2-CG 4.44Å; A630-E634 PolarHBondContact O-N 3.19Å; E634-Q636 VanDerWaalsContact C-N 3.32Å; E634-Q636 PolarHBondContact O-N 3.25Å; E634-G637 PolarHBondContact O-N 2.95Å; E634-V638 HydrophobicContact CG-CG2 4.32Å; E634-V638 VanDerWaalsContact O-CG2 3.3Å; E634-V638 WeakPolarHBondContact O-CG2 3.19Å; E634-V638 PolarHBondContact O-N 2.76Å
635	A	85.9	Confident	85.8	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.041	32%	0.322	C	S	.	.	H	α-helix	trans	-56.5	-45.1	176.5	0	0	0	0	0	112	L468 L502 C631 N632 V638 Q639	L468-A635 HydrophobicContact CD1-CB 4.44Å; L468-A635 HydrophobicContact CD2-CB 3.8Å; L468-A635 HydrophobicContact CG-CB 4.43Å; L502-A635 HydrophobicContact CD1-CB 4.17Å; C631-A635 WeakPolarHBondContact O-CB 3.42Å; C631-A635 PolarHBondContact O-N 2.77Å; N632-A635 PolarHBondContact O-N 3.44Å; A635-V638 PolarHBondContact O-N 3.28Å; A635-Q639 WeakPolarHBondContact O-CB 3.15Å; A635-Q639 WeakPolarHBondContact O-CG 3.41Å; A635-Q639 PolarHBondContact O-N 3Å; A635-Q639 PolarHBondContact O-OE1 3.12Å
636	Q	86.3	Confident	84.7	Confident	120 Å²	120	54.3 Å²	54.3	56%	0.561	32%	0.32	S	S	*	.	H	α-helix	trans	-59.8	-48.3	176.1	-75.6	175.2	-13.4	0	0	111.6	N632 T633 E634 V638 Q639 E640	N632-Q636 WeakPolarHBondContact O-CG 3.33Å; N632-Q636 PolarHBondContact O-N 3.27Å; T633-Q636 PolarHBondContact O-N 3.47Å; E634-Q636 VanDerWaalsContact C-N 3.32Å; E634-Q636 PolarHBondContact O-N 3.25Å; Q636-V638 PolarHBondContact O-N 2.73Å; Q636-Q639 PolarHBondContact O-N 3.07Å; Q636-E640 WeakPolarHBondContact O-CG 3.4Å; Q636-E640 PolarHBondContact O-N 3.26Å
637	G	86.2	Confident	83.4	Confident	32 Å²	32	58 Å²	58	33%	0.33	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-38.8	178.5	0	0	0	0	0	113.6	T633 E634 S641	T633-G637 PolarHBondContact O-N 2.74Å; E634-G637 PolarHBondContact O-N 2.95Å; G637-S641 WeakPolarHBondContact O-CB 3.35Å; G637-S641 PolarHBondContact O-N 2.85Å; G637-S641 VanDerWaalsContact O-N 3.07Å; G637-S641 PolarHBondContact O-OG 3.06Å
638	V	84	Confident	81.9	Confident	11 Å²	11	58 Å²	58	7%	0.067	33%	0.325	C	S	.	.	H	α-helix	trans	-68.1	-39.7	176.3	175.2	0	0	0	0	111	L495 L499 E634 A635 Q636 S641 L642	L495-V638 HydrophobicContact CB-CG1 4.15Å; L495-V638 HydrophobicContact CD2-CG1 3.95Å; L499-V638 HydrophobicContact CD1-CG1 4.35Å; L499-V638 HydrophobicContact CD2-CB 3.83Å; L499-V638 HydrophobicContact CD2-CG1 3.51Å; L499-V638 HydrophobicContact CG-CB 4.48Å; L499-V638 HydrophobicContact CG-CG1 3.61Å; E634-V638 HydrophobicContact CG-CG2 4.32Å; E634-V638 VanDerWaalsContact O-CG2 3.3Å; E634-V638 WeakPolarHBondContact O-CG2 3.19Å; E634-V638 PolarHBondContact O-N 2.76Å; A635-V638 PolarHBondContact O-N 3.28Å; Q636-V638 PolarHBondContact O-N 2.73Å; V638-S641 WeakPolarHBondContact O-CB 3.35Å; V638-S641 PolarHBondContact O-N 3.07Å; V638-L642 HydrophobicContact CG1-CD1 4.2Å; V638-L642 WeakPolarHBondContact O-CB 3.5Å; V638-L642 PolarHBondContact O-N 2.75Å
639	Q	80.6	Confident	80.5	Confident	21 Å²	21	60.2 Å²	60.2	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-67.2	-42	175.6	-79.7	169.1	-42.4	0	0	112.7	Y467 S471 L499 A635 Q636 S641 L642 S643	Y467-Q639 VanDerWaalsContact CD1-NE2 3.3Å; Y467-Q639 VanDerWaalsContact CE1-CD 3.42Å; S471-Q639 PolarHBondContact OG-NE2 2.75Å; L499-Q639 HydrophobicContact CD1-CG 4.3Å; L499-Q639 HydrophobicContact CD2-CG 4.16Å; A635-Q639 WeakPolarHBondContact O-CB 3.15Å; A635-Q639 WeakPolarHBondContact O-CG 3.41Å; A635-Q639 PolarHBondContact O-N 3Å; A635-Q639 PolarHBondContact O-OE1 3.12Å; Q636-Q639 PolarHBondContact O-N 3.07Å; Q639-S641 VanDerWaalsContact C-N 3.26Å; Q639-S641 PolarHBondContact O-N 3.3Å; Q639-L642 PolarHBondContact O-N 3.17Å; Q639-S643 WeakPolarHBondContact O-CB 3.18Å; Q639-S643 PolarHBondContact O-N 2.85Å
640	E	83.8	Confident	78.8	Confident	118 Å²	118	66.2 Å²	66.2	55%	0.551	35%	0.348	S	S	*	.	H	α-helix	trans	-57.9	-44	173	-76.9	-178.2	-174.6	0	0	110.7	Q636 S643 K644	Q636-E640 WeakPolarHBondContact O-CG 3.4Å; Q636-E640 PolarHBondContact O-N 3.26Å; E640-S643 PolarHBondContact O-N 3.34Å; E640-S643 PolarHBondContact O-OG 3.25Å; E640-K644 WeakPolarHBondContact O-CG 3.4Å; E640-K644 PolarHBondContact O-N 3.18Å
641	S	82.4	Confident	76.9	Confident	48 Å²	48	66.3 Å²	66.3	34%	0.336	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-41.8	177.2	-58.5	0	0	0	0	112.4	G637 V638 Q639 K644 H645	G637-S641 WeakPolarHBondContact O-CB 3.35Å; G637-S641 PolarHBondContact O-N 2.85Å; G637-S641 VanDerWaalsContact O-N 3.07Å; G637-S641 PolarHBondContact O-OG 3.06Å; V638-S641 WeakPolarHBondContact O-CB 3.35Å; V638-S641 PolarHBondContact O-N 3.07Å; Q639-S641 VanDerWaalsContact C-N 3.26Å; Q639-S641 PolarHBondContact O-N 3.3Å; S641-K644 PolarHBondContact O-N 3.38Å; S641-H645 PolarHBondContact O-N 3.22Å; S641-H645 PolarHBondContact O-ND1 3.4Å
642	L	78.9	Confident	74.8	Confident	27 Å²	27	71.7 Å²	71.7	14%	0.141	38%	0.383	C	S	.	.	H	α-helix	trans	-63.6	-40.2	173.3	-101.6	151.8	0	0	0	112.1	L495 R496 L499 V638 Q639 H645 A646	L495-L642 HydrophobicContact CB-CD1 3.71Å; L495-L642 HydrophobicContact CB-CD2 4.44Å; L495-L642 HydrophobicContact CB-CG 3.75Å; L495-L642 HydrophobicContact CD1-CG 4.05Å; R496-L642 HydrophobicContact CG-CD1 4.42Å; R496-L642 HydrophobicContact CG-CD2 4.2Å; L499-L642 HydrophobicContact CD1-CD1 3.36Å; L499-L642 HydrophobicContact CG-CD1 4.15Å; V638-L642 HydrophobicContact CG1-CD1 4.2Å; V638-L642 WeakPolarHBondContact O-CB 3.5Å; V638-L642 PolarHBondContact O-N 2.75Å; Q639-L642 PolarHBondContact O-N 3.17Å; L642-H645 PolarHBondContact O-N 2.93Å; L642-A646 VanDerWaalsContact O-CB 3.28Å; L642-A646 WeakPolarHBondContact O-CB 3.42Å; L642-A646 PolarHBondContact O-N 2.85Å
643	S	76.9	Confident	72.6	Confident	52 Å²	52	79 Å²	79	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-66.8	-37.3	177.9	77.5	0	0	0	0	112.1	Q639 E640 A646 R647	Q639-S643 WeakPolarHBondContact O-CB 3.18Å; Q639-S643 PolarHBondContact O-N 2.85Å; E640-S643 PolarHBondContact O-N 3.34Å; E640-S643 PolarHBondContact O-OG 3.25Å; S643-A646 PolarHBondContact O-N 3.49Å; S643-R647 WeakPolarHBondContact O-CG 3.36Å; S643-R647 PolarHBondContact O-N 3.28Å
644	K	76.8	Confident	70.3	Confident	138 Å²	138	79 Å²	79	60%	0.6	43%	0.425	S	S	*	.	H	α-helix	trans	-63.7	-48.2	172.9	-73.3	177.2	-177.5	176.8	0	111.4	E640 S641 A646 R647 A648	E640-K644 WeakPolarHBondContact O-CG 3.4Å; E640-K644 PolarHBondContact O-N 3.18Å; S641-K644 PolarHBondContact O-N 3.38Å; K644-A646 VanDerWaalsContact C-N 3.32Å; K644-A646 PolarHBondContact O-N 2.94Å; K644-R647 PolarHBondContact O-N 3.41Å; K644-R647 VanDerWaalsContact O-N 3.15Å; K644-A648 PolarHBondContact O-N 3.48Å
645	H	70	Confident	67.9	Low	61 Å²	61	79.8 Å²	79.8	28%	0.282	45%	0.449	S	S	.	.	H	α-helix	trans	-62.4	-38.9	175.6	-76.9	76.2	0	0	0	112	S641 L642 R647 A648 L649	S641-H645 PolarHBondContact O-N 3.22Å; S641-H645 PolarHBondContact O-ND1 3.4Å; L642-H645 PolarHBondContact O-N 2.93Å; H645-R647 VanDerWaalsContact C-N 3.27Å; H645-R647 PolarHBondContact O-N 3.38Å; H645-A648 PolarHBondContact O-N 3.49Å; H645-L649 WeakPolarHBondContact O-CB 3.45Å; H645-L649 WeakPolarHBondContact O-CD1 3.34Å; H645-L649 WeakPolarHBondContact O-CG 3.37Å; H645-L649 PolarHBondContact O-N 3.19Å
646	A	67.5	Low	65.6	Low	23 Å²	23	82.6 Å²	82.6	19%	0.19	48%	0.479	C	S	.	.	H	α-helix	trans	-71.4	-17.5	177.2	0	0	0	0	0	114.2	L642 S643 K644 R650	L642-A646 VanDerWaalsContact O-CB 3.28Å; L642-A646 WeakPolarHBondContact O-CB 3.42Å; L642-A646 PolarHBondContact O-N 2.85Å; S643-A646 PolarHBondContact O-N 3.49Å; K644-A646 VanDerWaalsContact C-N 3.32Å; K644-A646 PolarHBondContact O-N 2.94Å; A646-R650 PolarHBondContact O-NE 3.47Å
647	R	65.8	Low	63.1	Low	158 Å²	158	88.5 Å²	88.5	60%	0.596	51%	0.512	S	S	*	.	H	α-helix	trans	-83.6	-43.4	169.3	-76	180	-170.6	165.6	3.7	111.3	S643 K644 H645 L649 R650 G651 D652	S643-R647 WeakPolarHBondContact O-CG 3.36Å; S643-R647 PolarHBondContact O-N 3.28Å; K644-R647 PolarHBondContact O-N 3.41Å; K644-R647 VanDerWaalsContact O-N 3.15Å; H645-R647 VanDerWaalsContact C-N 3.27Å; H645-R647 PolarHBondContact O-N 3.38Å; R647-L649 VanDerWaalsContact C-N 3.33Å; R647-L649 PolarHBondContact O-N 2.99Å; R647-R650 PolarHBondContact O-N 3.48Å; R647-G651 PolarHBondContact O-N 3Å; R647-D652 PolarHBondContact O-N 3.35Å
648	A	61.8	Low	61.9	Low	55 Å²	55	91.4 Å²	91.4	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-56.5	-46.7	173.7	0	0	0	0	0	111.6	K644 H645 R650 G651	K644-A648 PolarHBondContact O-N 3.48Å; H645-A648 PolarHBondContact O-N 3.49Å; A648-R650 PolarHBondContact O-N 2.89Å; A648-G651 PolarHBondContact O-N 3.11Å
649	L	60.6	Low	60.8	Low	50 Å²	50	95.6 Å²	95.6	26%	0.262	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.8	175.9	-76.3	165.3	0	0	0	114.7	P484 E488 H645 R647	P484-L649 HydrophobicContact CB-CD2 3.77Å; E488-L649 HydrophobicContact CB-CD2 4.29Å; E488-L649 WeakPolarHBondContact OE2-CD2 3.15Å; H645-L649 WeakPolarHBondContact O-CB 3.45Å; H645-L649 WeakPolarHBondContact O-CD1 3.34Å; H645-L649 WeakPolarHBondContact O-CG 3.37Å; H645-L649 PolarHBondContact O-N 3.19Å; R647-L649 VanDerWaalsContact C-N 3.33Å; R647-L649 PolarHBondContact O-N 2.99Å
650	R	57.8	Low	59.7	Low	181 Å²	181	99.7 Å²	99.7	68%	0.683	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-5.2	177.9	-90.6	-175.2	-92.9	-143.6	-1.2	113.5	A646 R647 A648 D652	A646-R650 PolarHBondContact O-NE 3.47Å; R647-R650 PolarHBondContact O-N 3.48Å; A648-R650 PolarHBondContact O-N 2.89Å; R650-D652 VanDerWaalsContact C-N 3.28Å; R650-D652 PolarHBondContact O-N 3.08Å
651	G	51.5	Low	58.3	Low	60 Å²	60	98.6 Å²	98.6	62%	0.619	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.5	16.4	-178.2	0	0	0	0	0	114.3	R647 A648 E653	R647-G651 PolarHBondContact O-N 3Å; A648-G651 PolarHBondContact O-N 3.11Å; G651-E653 PolarHBondContact O-N 2.98Å; G651-E653 VanDerWaalsContact O-N 3.09Å
652	D	46	Very low	56.8	Low	125 Å²	125	101.8 Å²	101.8	67%	0.668	59%	0.585	S	S	*	*			trans	-84.5	59.2	170.8	-80.2	-26.7	0	0	0	109.6	R647 R650	R647-D652 PolarHBondContact O-N 3.35Å; R650-D652 VanDerWaalsContact C-N 3.28Å; R650-D652 PolarHBondContact O-N 3.08Å
653	E	41.4	Very low	55.3	Low	178 Å²	178	106.8 Å²	106.8	83%	0.832	62%	0.615	S	S	*	*			trans	-76.7	128.2	151.1	-82.6	-166.1	156.9	0	0	107.1	G651 A655	G651-E653 PolarHBondContact O-N 2.98Å; G651-E653 VanDerWaalsContact O-N 3.09Å; E653-A655 PolarHBondContact O-N 2.69Å
654	A	41.4	Very low	53.7	Low	97 Å²	97	110.7 Å²	110.7	80%	0.802	63%	0.633	S	S	*	*			trans	-50.9	113.2	176.6	0	0	0	0	0	110.6	G656	A654-G656 VanDerWaalsContact C-N 3.33Å; A654-G656 PolarHBondContact O-N 3.15Å; A654-G656 VanDerWaalsContact O-N 3.13Å
655	A	39.9	Very low	52	Low	115 Å²	115	108.6 Å²	108.6	95%	0.95	64%	0.635	S	S	*	*			trans	-62.8	102.2	143.5	0	0	0	0	0	106.8	E653	E653-A655 PolarHBondContact O-N 2.69Å
656	G	38.4	Very low	50.5	Low	65 Å²	65	112.6 Å²	112.6	67%	0.67	67%	0.665	S	S	*	*			trans	-175.9	75.3	-179.4	0	0	0	0	0	111.7	A654	A654-G656 VanDerWaalsContact C-N 3.33Å; A654-G656 PolarHBondContact O-N 3.15Å; A654-G656 VanDerWaalsContact O-N 3.13Å
657	I	33.4	Very low	48.9	Very low	244 Å²	244	120.7 Å²	120.7	100%	1.251	71%	0.708	S	S	*	*			trans	-60.4	0	150.7	-67.9	171.7	0	0	0	108.7

Retrieved 657 of 657 residues in 453.8 ms (Link to these results)

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