A0A077YWM2_TRITR Loading...

LNS2 and Lipin N domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWM2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 484 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	37.9	Very low	34.5	Very low	218 Å²	218	117.3 Å²	117.3	100%	1.074	60%	0.598	S	S	*	*				0	-43.3	0	-80.4	-162.3	-95.9	0	0	114.1	S3 F4 S5	M1-S3 PolarHBondContact O-N 3.48Å; M1-F4 PolarHBondContact O-N 3.31Å; M1-S5 PolarHBondContact O-N 2.93Å
2	Q	34	Very low	34.4	Very low	176 Å²	176	121.8 Å²	121.8	82%	0.822	60%	0.601	S	S	*	*	H	α-helix	trans	-61.6	-34.3	-178.3	-70.6	177.6	-4.4	0	0	114.8	R6	Q2-R6 PolarHBondContact O-N 3.05Å
3	S	39.1	Very low	34.6	Very low	92 Å²	92	119.3 Å²	119.3	64%	0.643	59%	0.592	S	S	*	*	H	α-helix	trans	-63.7	-40.4	176.2	169.6	0	0	0	0	113	M1 R6 M7	M1-S3 PolarHBondContact O-N 3.48Å; S3-R6 PolarHBondContact O-N 3.26Å; S3-M7 WeakPolarHBondContact O-CB 3.4Å; S3-M7 PolarHBondContact O-N 3.46Å
4	F	31.6	Very low	34.9	Very low	143 Å²	143	115.9 Å²	115.9	63%	0.627	57%	0.573	S	S	*	*	H	α-helix	trans	-72	-38.3	-178	-132.6	-93.7	0	0	0	112.1	M1 M7 I8	M1-F4 PolarHBondContact O-N 3.31Å; F4-M7 PolarHBondContact O-N 3.15Å; F4-I8 HydrophobicContact CD1-CD1 3.93Å; F4-I8 HydrophobicContact CE1-CD1 4.44Å; F4-I8 WeakPolarHBondContact O-CG1 3.2Å; F4-I8 PolarHBondContact O-N 3.15Å
5	S	30.8	Very low	34.7	Very low	82 Å²	82	117.1 Å²	117.1	57%	0.573	57%	0.569	S	S	*	*	H	α-helix	trans	-64.1	-41	174.9	143.3	0	0	0	0	112.1	M1 M7 I8 S9	M1-S5 PolarHBondContact O-N 2.93Å; S5-M7 VanDerWaalsContact C-N 3.34Å; S5-I8 PolarHBondContact O-N 3.5Å; S5-S9 PolarHBondContact O-N 3.23Å; S5-S9 PolarHBondContact O-OG 2.91Å
6	R	32.4	Very low	34.8	Very low	194 Å²	194	116.6 Å²	116.6	73%	0.732	57%	0.57	S	S	*	*	H	α-helix	trans	-69.3	-34.7	178.3	-151.7	172.1	-179.6	170.8	-1	111.7	Q2 S3 S9 T10	Q2-R6 PolarHBondContact O-N 3.05Å; S3-R6 PolarHBondContact O-N 3.26Å; R6-S9 WeakPolarHBondContact CA-OG 3.47Å; R6-S9 PolarHBondContact O-OG 2.92Å; R6-T10 PolarHBondContact O-N 3.39Å; R6-T10 VanDerWaalsContact O-N 3.07Å; R6-T10 PolarHBondContact O-OG1 3.36Å
7	M	34.6	Very low	34.9	Very low	95 Å²	95	118.6 Å²	118.6	47%	0.468	58%	0.578	S	S	.	*	H	α-helix	trans	-64.9	-47.7	173.4	-170.3	179.8	-71.6	0	0	111.4	S3 F4 S5 S9 T10 F11	S3-M7 WeakPolarHBondContact O-CB 3.4Å; S3-M7 PolarHBondContact O-N 3.46Å; F4-M7 PolarHBondContact O-N 3.15Å; S5-M7 VanDerWaalsContact C-N 3.34Å; M7-S9 PolarHBondContact O-N 3.35Å; M7-T10 PolarHBondContact O-N 3.19Å; M7-F11 HydrophobicContact CG-CD2 3.82Å; M7-F11 HydrophobicContact CG-CE2 3.67Å; M7-F11 WeakPolarHBondContact O-CB 3.39Å; M7-F11 WeakPolarHBondContact O-CD2 3.44Å; M7-F11 PolarHBondContact O-N 3.47Å; M7-F11 HydrophobicContact SD-CE2 4.43Å
8	I	32.3	Very low	35.2	Very low	99 Å²	99	113.2 Å²	113.2	51%	0.508	55%	0.552	S	S	.	*	H	α-helix	trans	-64.9	-36.9	178.7	-66.9	165.5	0	0	0	111.9	F4 S5 F11 R12	F4-I8 HydrophobicContact CD1-CD1 3.93Å; F4-I8 HydrophobicContact CE1-CD1 4.44Å; F4-I8 WeakPolarHBondContact O-CG1 3.2Å; F4-I8 PolarHBondContact O-N 3.15Å; S5-I8 PolarHBondContact O-N 3.5Å; I8-F11 PolarHBondContact O-N 3.41Å; I8-R12 WeakPolarHBondContact O-CB 3.42Å; I8-R12 PolarHBondContact O-N 2.91Å
9	S	38.2	Very low	35.8	Very low	49 Å²	49	111.5 Å²	111.5	34%	0.343	55%	0.546	S	S	.	.	H	α-helix	trans	-66.6	-46.5	175.2	59.5	0	0	0	0	111.5	S5 R6 M7 F11 R12 D13	S5-S9 PolarHBondContact O-N 3.23Å; S5-S9 PolarHBondContact O-OG 2.91Å; R6-S9 WeakPolarHBondContact CA-OG 3.47Å; R6-S9 PolarHBondContact O-OG 2.92Å; M7-S9 PolarHBondContact O-N 3.35Å; S9-F11 PolarHBondContact O-N 2.91Å; S9-R12 PolarHBondContact O-N 3.46Å; S9-R12 VanDerWaalsContact O-N 3.15Å; S9-D13 WeakPolarHBondContact O-CB 3.47Å; S9-D13 PolarHBondContact O-N 3.46Å; S9-D13 VanDerWaalsContact O-OD2 3.13Å
10	T	36.6	Very low	36.3	Very low	91 Å²	91	106.8 Å²	106.8	56%	0.558	52%	0.524	S	S	*	.	H	α-helix	trans	-58.4	-38.2	173.7	-53.3	0	0	0	0	111.3	R6 M7 F14	R6-T10 PolarHBondContact O-N 3.39Å; R6-T10 VanDerWaalsContact O-N 3.07Å; R6-T10 PolarHBondContact O-OG1 3.36Å; M7-T10 PolarHBondContact O-N 3.19Å; T10-F14 WeakPolarHBondContact O-CB 3.36Å; T10-F14 PolarHBondContact O-N 3.26Å
11	F	32.1	Very low	36.6	Very low	51 Å²	51	102.8 Å²	102.8	22%	0.224	51%	0.508	C	S	.	.	H	α-helix	trans	-66.5	-44	175.3	-91.8	-61.4	0	0	0	113.5	M7 I8 S9 Y15 H268	M7-F11 HydrophobicContact CG-CD2 3.82Å; M7-F11 HydrophobicContact CG-CE2 3.67Å; M7-F11 WeakPolarHBondContact O-CB 3.39Å; M7-F11 WeakPolarHBondContact O-CD2 3.44Å; M7-F11 PolarHBondContact O-N 3.47Å; M7-F11 HydrophobicContact SD-CE2 4.43Å; I8-F11 PolarHBondContact O-N 3.41Å; S9-F11 PolarHBondContact O-N 2.91Å; F11-Y15 VanDerWaalsContact O-CB 3.31Å; F11-Y15 WeakPolarHBondContact O-CB 3.32Å; F11-Y15 PolarHBondContact O-N 3.49Å; F11-H268 AromaticContact CD1-CE1 3.81Å; F11-H268 AromaticContact CD1-ND1 3.94Å; F11-H268 HydrophobicContact CE1-CB 4.22Å; F11-H268 AromaticContact CE1-CE1 3.13Å; F11-H268 WeakPolarHBondContact CE1-CE1 3.48Å; F11-H268 AromaticContact CE1-CG 3.57Å; F11-H268 AromaticContact CE1-ND1 2.87Å; F11-H268 WeakPolarHBondContact CE1-ND1 3.44Å; F11-H268 AromaticContact CE1-NE2 3.97Å; F11-H268 HydrophobicContact CZ-CB 3.64Å; F11-H268 AromaticContact CZ-CD2 3.65Å; F11-H268 AromaticContact CZ-CE1 3.4Å; F11-H268 WeakPolarHBondContact CZ-CE1 3.32Å; F11-H268 AromaticContact CZ-CG 3.19Å; F11-H268 AromaticContact CZ-ND1 3.06Å; F11-H268 WeakPolarHBondContact CZ-ND1 3.31Å; F11-H268 AromaticContact CZ-NE2 3.79Å
12	R	33.6	Very low	37.5	Very low	171 Å²	171	94.2 Å²	94.2	65%	0.645	47%	0.468	S	S	*	.	H	α-helix	trans	-67.7	-40.1	179	-174.5	175.9	-176.2	175.2	-1.5	110.8	I8 S9 Y15 N16	I8-R12 WeakPolarHBondContact O-CB 3.42Å; I8-R12 PolarHBondContact O-N 2.91Å; S9-R12 PolarHBondContact O-N 3.46Å; S9-R12 VanDerWaalsContact O-N 3.15Å; R12-Y15 PolarHBondContact O-N 3.28Å; R12-N16 WeakPolarHBondContact O-CB 3.36Å; R12-N16 PolarHBondContact O-N 3.05Å; R12-N16 PolarHBondContact O-ND2 3.45Å; R12-N16 VanDerWaalsContact O-ND2 3.16Å
13	D	37.1	Very low	39	Very low	90 Å²	90	86.8 Å²	86.8	48%	0.481	43%	0.434	S	S	.	.	H	α-helix	trans	-67.6	-43.1	177.6	-62.8	-24.7	0	0	0	110.3	S9 N16 E17	S9-D13 WeakPolarHBondContact O-CB 3.47Å; S9-D13 PolarHBondContact O-N 3.46Å; S9-D13 VanDerWaalsContact O-OD2 3.13Å; D13-N16 PolarHBondContact O-N 2.85Å; D13-E17 WeakPolarHBondContact O-CB 3.39Å; D13-E17 WeakPolarHBondContact O-CG 3.42Å; D13-E17 PolarHBondContact O-N 2.99Å
14	F	38.1	Very low	41	Very low	72 Å²	72	84 Å²	84	32%	0.316	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-40.9	174.1	-169.1	-102.4	0	0	0	113.3	T10 E17 I18	T10-F14 WeakPolarHBondContact O-CB 3.36Å; T10-F14 PolarHBondContact O-N 3.26Å; F14-E17 PolarHBondContact O-N 2.9Å; F14-I18 HydrophobicContact CD1-CD1 3.95Å; F14-I18 HydrophobicContact CE1-CD1 3.52Å; F14-I18 HydrophobicContact CE2-CD1 4.35Å; F14-I18 HydrophobicContact CZ-CD1 3.75Å; F14-I18 WeakPolarHBondContact O-CG1 3.32Å; F14-I18 PolarHBondContact O-N 3.13Å
15	Y	32.6	Very low	43.6	Very low	133 Å²	133	77.2 Å²	77.2	52%	0.522	38%	0.384	S	S	.	.	H	α-helix	trans	-70.8	-36.2	175.4	-105.4	-87.8	0	0	0	112.7	F11 R12 E17 I18	F11-Y15 VanDerWaalsContact O-CB 3.31Å; F11-Y15 WeakPolarHBondContact O-CB 3.32Å; F11-Y15 PolarHBondContact O-N 3.49Å; R12-Y15 PolarHBondContact O-N 3.28Å; Y15-E17 VanDerWaalsContact C-N 3.34Å; Y15-I18 CarbonylContact O-C 3.59Å; Y15-I18 PolarHBondContact O-N 3.36Å
16	N	35	Very low	46.5	Very low	110 Å²	110	73.3 Å²	73.3	59%	0.588	36%	0.356	S	S	*	.	H	α-helix	trans	-70.1	-32.3	175.5	-74.3	-22	0	0	0	111.6	R12 D13	R12-N16 WeakPolarHBondContact O-CB 3.36Å; R12-N16 PolarHBondContact O-N 3.05Å; R12-N16 PolarHBondContact O-ND2 3.45Å; R12-N16 VanDerWaalsContact O-ND2 3.16Å; D13-N16 PolarHBondContact O-N 2.85Å
17	E	37	Very low	49.3	Very low	151 Å²	151	64.3 Å²	64.3	71%	0.706	32%	0.323	S	S	*	.	H	α-helix	trans	-68	-35.3	173.5	-82.5	-179.2	169.2	0	0	112.2	D13 F14 Y15 N19	D13-E17 WeakPolarHBondContact O-CB 3.39Å; D13-E17 WeakPolarHBondContact O-CG 3.42Å; D13-E17 PolarHBondContact O-N 2.99Å; F14-E17 PolarHBondContact O-N 2.9Å; Y15-E17 VanDerWaalsContact C-N 3.34Å; E17-N19 PolarHBondContact O-N 3.35Å
18	I	40.5	Very low	52.2	Low	21 Å²	21	60 Å²	60	11%	0.108	30%	0.301	C	S	.	.			trans	-91.3	72.5	177.6	-55.6	170.5	0	0	0	109.1	F14 Y15 P20 L23 W309 L336	F14-I18 HydrophobicContact CD1-CD1 3.95Å; F14-I18 HydrophobicContact CE1-CD1 3.52Å; F14-I18 HydrophobicContact CE2-CD1 4.35Å; F14-I18 HydrophobicContact CZ-CD1 3.75Å; F14-I18 WeakPolarHBondContact O-CG1 3.32Å; F14-I18 PolarHBondContact O-N 3.13Å; Y15-I18 CarbonylContact O-C 3.59Å; Y15-I18 PolarHBondContact O-N 3.36Å; I18-P20 WeakPolarHBondContact O-CD 3.31Å; I18-L23 HydrophobicContact CG2-CD1 3.48Å; I18-L23 VanDerWaalsContact CG2-CD1 3.48Å; I18-L23 HydrophobicContact CG2-CD2 4.08Å; I18-L23 HydrophobicContact CG2-CG 3.89Å; I18-W309 HydrophobicContact CD1-CH2 3.96Å; I18-W309 HydrophobicContact CD1-CZ3 3.87Å; I18-W309 HydrophobicContact CG1-CH2 4.3Å; I18-L336 HydrophobicContact CG2-CD1 4.23Å
19	N	46.5	Very low	55.2	Low	81 Å²	81	55.3 Å²	55.3	43%	0.433	28%	0.277	S	S	.	.			trans	-65.5	118.4	156.9	-179.6	-11.7	0	0	0	107.1	E17 A21 T22	E17-N19 PolarHBondContact O-N 3.35Å; N19-A21 PolarHBondContact O-N 2.99Å; N19-A21 VanDerWaalsContact OD1-CB 3.24Å; N19-A21 WeakPolarHBondContact OD1-CB 3.16Å; N19-A21 PolarHBondContact OD1-N 2.93Å; N19-T22 HydrophobicContact CB-CG2 3.98Å; N19-T22 PolarHBondContact O-N 2.99Å; N19-T22 PolarHBondContact O-OG1 3.39Å
20	P	45.4	Very low	58.1	Low	17 Å²	17	53 Å²	53	11%	0.11	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61	-18.1	-178.2	-36.7	50.3	0	0	0	114.3	I18 T22 L336 I337	I18-P20 WeakPolarHBondContact O-CD 3.31Å; P20-T22 PolarHBondContact O-N 2.89Å; P20-L336 HydrophobicContact CB-CB 3.69Å; P20-L336 HydrophobicContact CB-CD2 4.37Å; P20-L336 HydrophobicContact CG-CB 3.77Å; P20-L336 HydrophobicContact CG-CD2 3.46Å; P20-L336 VanDerWaalsContact CG-CD2 3.46Å; P20-L336 HydrophobicContact CG-CG 4.14Å; P20-I337 HydrophobicContact CB-CB 4.1Å; P20-I337 HydrophobicContact CB-CD1 3.79Å; P20-I337 HydrophobicContact CB-CG1 3.57Å; P20-I337 VanDerWaalsContact CB-N 3.35Å; P20-I337 HydrophobicContact CG-CB 4.42Å; P20-I337 HydrophobicContact CG-CD1 4.08Å; P20-I337 HydrophobicContact CG-CG1 3.58Å
21	A	43.4	Very low	61	Low	23 Å²	23	48.6 Å²	48.6	19%	0.19	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-68.2	-13.6	170.4	0	0	0	0	0	113.6	N19 G49 K50	N19-A21 PolarHBondContact O-N 2.99Å; N19-A21 VanDerWaalsContact OD1-CB 3.24Å; N19-A21 WeakPolarHBondContact OD1-CB 3.16Å; N19-A21 PolarHBondContact OD1-N 2.93Å; A21-G49 CarbonylContact O-C 3.34Å; A21-G49 WeakPolarHBondContact O-CA 3.43Å; A21-K50 HydrophobicContact CB-CD 4.26Å; A21-K50 PolarHBondContact O-N 3.26Å
22	T	55.9	Low	64.2	Low	37 Å²	37	46.2 Å²	46.2	23%	0.227	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-104.3	-7.9	-176.5	64.6	0	0	0	0	114.5	N19 P20 M51	N19-T22 HydrophobicContact CB-CG2 3.98Å; N19-T22 PolarHBondContact O-N 2.99Å; N19-T22 PolarHBondContact O-OG1 3.39Å; P20-T22 PolarHBondContact O-N 2.89Å; T22-M51 HydrophobicContact CG2-CB 3.93Å
23	L	66.4	Low	67.2	Low	20 Å²	20	39.8 Å²	39.8	11%	0.105	20%	0.201	C	C	.	.			trans	-81.1	126.7	-178.1	-67.4	175	0	0	0	112.7	I18 G49 W309 L336	I18-L23 HydrophobicContact CG2-CD1 3.48Å; I18-L23 VanDerWaalsContact CG2-CD1 3.48Å; I18-L23 HydrophobicContact CG2-CD2 4.08Å; I18-L23 HydrophobicContact CG2-CG 3.89Å; L23-G49 PolarHBondContact O-N 3.44Å; L23-W309 HydrophobicContact CD2-CH2 4.3Å; L23-L336 HydrophobicContact CD1-CB 4.37Å; L23-L336 HydrophobicContact CD1-CD1 4.02Å
24	T	80.9	Confident	70	Confident	34 Å²	34	36.3 Å²	36.3	21%	0.209	18%	0.182	C	C	.	.			trans	-101.1	137.6	172.8	-61.1	0	0	0	0	109.1	R47 F48 G49 C238	T24-R47 CarbonylContact C-O 3.5Å; T24-R47 VanDerWaalsContact CA-O 3.24Å; T24-R47 WeakPolarHBondContact CA-O 3.43Å; T24-R47 VanDerWaalsContact CG2-O 3.28Å; T24-R47 WeakPolarHBondContact CG2-O 3.42Å; T24-F48 HydrophobicContact CG2-CD1 3.71Å; T24-F48 HydrophobicContact CG2-CE1 4.04Å; T24-F48 HydrophobicContact CG2-CG 4.11Å; T24-G49 PolarHBondContact OG1-N 3.23Å; T24-C238 HydrophobicContact CG2-CB 3.68Å
25	G	86.9	Confident	72.7	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	161.1	176.8	0	0	0	0	0	113.3	R47 I304	G25-R47 PolarHBondContact N-O 3.4Å; G25-R47 PolarHBondContact O-N 2.89Å; G25-I304 WeakPolarHBondContact O-CD1 3.44Å
26	A	91.4	Very high	75.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.9	174.2	0	0	0	0	0	110.6	Y45 V46 F226 C240 S307 K311	A26-Y45 WeakPolarHBondContact CA-O 3.5Å; A26-V46 HydrophobicContact CB-CG2 3.98Å; A26-F226 HydrophobicContact CB-CD2 4.08Å; A26-F226 HydrophobicContact CB-CE2 4.03Å; A26-C240 HydrophobicContact CB-CB 3.78Å; A26-S307 PolarHBondContact N-OG 3.01Å; A26-S307 WeakPolarHBondContact O-CB 3.28Å; A26-S307 PolarHBondContact O-OG 2.96Å; A26-K311 PolarHBondContact O-NZ 3.15Å
27	V	90.9	Very high	78.4	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.024	19%	0.187	C	C	.	.			trans	-81.3	149.3	170.6	-173.8	0	0	0	0	108.7	Y45 C240 I304 F330 L331	V27-Y45 PolarHBondContact N-O 3.4Å; V27-C240 VanDerWaalsContact O-CB 3.22Å; V27-C240 WeakPolarHBondContact O-CB 3.38Å; V27-C240 PolarHBondContact O-SG 3.4Å; V27-I304 HydrophobicContact CG2-CB 4.3Å; V27-I304 HydrophobicContact CG2-CD1 3.93Å; V27-I304 HydrophobicContact CG2-CG1 3.87Å; V27-F330 HydrophobicContact CG1-CD1 4.39Å; V27-L331 HydrophobicContact CG2-CB 4.32Å
28	D	95.8	Very high	81.2	Confident	4 Å²	4	27 Å²	27	2%	0.021	16%	0.162	C	C	.	.			trans	-68	150.2	172.6	-65.7	-31.9	0	0	0	110.6	C240 H241 F243 K311 P328 V329	D28-C240 WeakPolarHBondContact OD1-CB 3.24Å; D28-H241 WeakPolarHBondContact CA-O 2.95Å; D28-H241 WeakPolarHBondContact CB-O 3.29Å; D28-H241 PolarHBondContact OD1-N 2.9Å; D28-H241 IonicContact OD1-ND1 3.82Å; D28-F243 HydrophobicContact CB-CD2 4.46Å; D28-F243 HydrophobicContact CB-CE2 4.13Å; D28-K311 VanDerWaalsContact OD1-CE 3.24Å; D28-K311 WeakPolarHBondContact OD1-CE 3.22Å; D28-K311 IonicContact OD1-NZ 3.5Å; D28-K311 PolarHBondContact OD1-NZ 3.15Å; D28-K311 WeakPolarHBondContact OD2-CE 3.44Å; D28-K311 IonicContact OD2-NZ 2.69Å; D28-P328 HydrophobicContact CB-CB 4.02Å; D28-V329 PolarHBondContact OD2-N 3.29Å
29	V	95.9	Very high	84	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.3	-178	176.5	0	0	0	0	108.7	V31 S42 F44 H241 I242 F243	V29-V31 HydrophobicContact CG1-CG2 4.11Å; V29-S42 WeakPolarHBondContact CA-OG 3.43Å; V29-F44 HydrophobicContact CG1-CD2 4.35Å; V29-F44 HydrophobicContact CG1-CE1 4.4Å; V29-F44 HydrophobicContact CG1-CE2 3.87Å; V29-F44 HydrophobicContact CG1-CZ 3.9Å; V29-F44 HydrophobicContact CG2-CD1 3.83Å; V29-F44 HydrophobicContact CG2-CD2 4.29Å; V29-F44 HydrophobicContact CG2-CE1 3.99Å; V29-F44 HydrophobicContact CG2-CE2 4.43Å; V29-F44 HydrophobicContact CG2-CG 3.98Å; V29-F44 HydrophobicContact CG2-CZ 4.29Å; V29-H241 PolarHBondContact N-O 3.15Å; V29-I242 HydrophobicContact CB-CG1 4.15Å; V29-I242 HydrophobicContact CB-CG2 4.3Å; V29-I242 HydrophobicContact CG1-CG2 4.24Å; V29-I242 CarbonylContact O-C 3.52Å; V29-I242 WeakPolarHBondContact O-CA 3.31Å; V29-F243 PolarHBondContact O-N 3.3Å
30	L	97.8	Very high	86.4	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.5	172.9	178.9	60.8	0	0	0	109.2	I32 G41 S42 F243 W245 F330 I360 L363	L30-I32 HydrophobicContact CD1-CD1 3.81Å; L30-I32 HydrophobicContact CD2-CD1 4.09Å; L30-I32 HydrophobicContact CG-CD1 3.79Å; L30-I32 HydrophobicContact CG-CG1 4.34Å; L30-G41 CarbonylContact O-C 3.47Å; L30-G41 VanDerWaalsContact O-CA 3.32Å; L30-G41 WeakPolarHBondContact O-CA 3.49Å; L30-S42 PolarHBondContact N-OG 3.17Å; L30-S42 PolarHBondContact O-N 2.89Å; L30-F243 HydrophobicContact CD1-CB 3.92Å; L30-W245 HydrophobicContact CD1-CB 4.29Å; L30-W245 HydrophobicContact CD1-CD2 3.73Å; L30-W245 HydrophobicContact CD1-CE3 3.43Å; L30-W245 VanDerWaalsContact CD1-CE3 3.43Å; L30-W245 HydrophobicContact CD1-CG 4.12Å; L30-W245 HydrophobicContact CD1-CZ3 3.94Å; L30-W245 HydrophobicContact CD2-CE3 4.39Å; L30-W245 HydrophobicContact CD2-CZ3 4.44Å; L30-F330 HydrophobicContact CB-CZ 3.94Å; L30-F330 HydrophobicContact CD2-CZ 4.36Å; L30-I360 HydrophobicContact CD2-CG2 4.09Å; L30-L363 HydrophobicContact CB-CD1 4.11Å; L30-L363 HydrophobicContact CD2-CD1 4.06Å; L30-L363 HydrophobicContact CG-CD1 4.05Å
31	V	98.4	Very high	88.7	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.2	176.2	-177.6	0	0	0	0	108.5	V29 Y39 I40 L212 I242 F243 L244 W245	V29-V31 HydrophobicContact CG1-CG2 4.11Å; V31-Y39 HydrophobicContact CG1-CD1 4.45Å; V31-Y39 HydrophobicContact CG1-CG 4.09Å; V31-I40 WeakPolarHBondContact CA-O 3.44Å; V31-L212 HydrophobicContact CG1-CD1 4.24Å; V31-L212 HydrophobicContact CG2-CD2 4.09Å; V31-I242 HydrophobicContact CG2-CG2 3.69Å; V31-F243 PolarHBondContact N-O 3.27Å; V31-L244 HydrophobicContact CB-CD1 4.05Å; V31-L244 HydrophobicContact CG1-CD1 3.74Å; V31-L244 WeakPolarHBondContact O-CA 3.47Å; V31-W245 PolarHBondContact O-N 2.89Å
32	I	98.1	Very high	91.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.1	-178.6	-55.5	-55.9	0	0	0	110.3	L30 Q34 Y39 I40 W245 W247 L363 F364	L30-I32 HydrophobicContact CD1-CD1 3.81Å; L30-I32 HydrophobicContact CD2-CD1 4.09Å; L30-I32 HydrophobicContact CG-CD1 3.79Å; L30-I32 HydrophobicContact CG-CG1 4.34Å; I32-Q34 PolarHBondContact O-N 2.83Å; I32-Q34 PolarHBondContact O-NE2 3.24Å; I32-Y39 WeakPolarHBondContact O-CA 3.4Å; I32-I40 PolarHBondContact N-O 2.97Å; I32-I40 PolarHBondContact O-N 3.06Å; I32-I40 VanDerWaalsContact O-N 3.12Å; I32-W245 WeakPolarHBondContact CA-O 3.49Å; I32-W245 HydrophobicContact CD1-CB 3.94Å; I32-W247 HydrophobicContact CG2-CB 4.1Å; I32-L363 HydrophobicContact CB-CB 4.33Å; I32-L363 WeakPolarHBondContact CB-O 3.36Å; I32-L363 HydrophobicContact CG1-CB 3.66Å; I32-L363 HydrophobicContact CG1-CD1 4.4Å; I32-F364 HydrophobicContact CD1-CE1 3.83Å; I32-F364 HydrophobicContact CD1-CE2 3.78Å; I32-F364 HydrophobicContact CD1-CZ 3.34Å; I32-F364 HydrophobicContact CG1-CD2 4.21Å; I32-F364 HydrophobicContact CG1-CE1 4.2Å; I32-F364 HydrophobicContact CG1-CE2 3.82Å; I32-F364 HydrophobicContact CG1-CZ 3.82Å; I32-F364 HydrophobicContact CG2-CD1 4.04Å; I32-F364 HydrophobicContact CG2-CE1 4.09Å; I32-F364 HydrophobicContact CG2-CG 4.48Å
33	E	97.5	Very high	92.7	Very high	37 Å²	37	25.5 Å²	25.5	17%	0.173	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	110.2	167.7	-177.5	178.2	-171.7	0	0	110.6	Y39 R219 W245 R246 W247	E33-Y39 HydrophobicContact CB-CD1 4.07Å; E33-Y39 HydrophobicContact CB-CE1 3.77Å; E33-Y39 HydrophobicContact CG-CD1 4.37Å; E33-Y39 HydrophobicContact CG-CE1 3.82Å; E33-R219 VanDerWaalsContact CD-NH2 3.29Å; E33-R219 IonicContact OE1-NH2 3.23Å; E33-R219 PolarHBondContact OE1-NH2 3.49Å; E33-R219 IonicContact OE2-CZ 3.9Å; E33-R219 VanDerWaalsContact OE2-CZ 3.27Å; E33-R219 IonicContact OE2-NE 2.6Å; E33-R219 PolarHBondContact OE2-NE 2.93Å; E33-R219 IonicContact OE2-NH2 3.76Å; E33-R219 PolarHBondContact OE2-NH2 3.33Å; E33-W245 PolarHBondContact N-O 3.45Å; E33-R246 HydrophobicContact CB-CG 4.47Å; E33-W247 WeakPolarHBondContact O-CB 3.38Å; E33-W247 PolarHBondContact O-N 2.87Å
34	Q	96.7	Very high	93.8	Very high	17 Å²	17	24.7 Å²	24.7	8%	0.079	15%	0.145	C	C	.	.			trans	-73	161.3	178.7	-58.4	-54.6	-53.1	0	0	111.6	I32 N36 G37 S38 I40 L363	I32-Q34 PolarHBondContact O-N 2.83Å; I32-Q34 PolarHBondContact O-NE2 3.24Å; Q34-N36 WeakPolarHBondContact CB-OD1 3.4Å; Q34-N36 PolarHBondContact O-N 3.44Å; Q34-N36 VanDerWaalsContact O-N 3.14Å; Q34-G37 PolarHBondContact O-N 3.04Å; Q34-S38 WeakPolarHBondContact CB-O 3.47Å; Q34-S38 WeakPolarHBondContact CB-OG 3.48Å; Q34-S38 WeakPolarHBondContact CG-O 3.49Å; Q34-S38 WeakPolarHBondContact CG-OG 3.19Å; Q34-S38 PolarHBondContact N-O 2.94Å; Q34-I40 HydrophobicContact CG-CD1 4Å; Q34-I40 HydrophobicContact CG-CG1 3.94Å; Q34-L363 PolarHBondContact NE2-O 2.9Å
35	P	92.9	Very high	94.3	Very high	88 Å²	88	26.7 Å²	26.7	57%	0.571	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-31	177.6	-24	31.5	0	0	0	114.5	G37 W247 P365	P35-G37 VanDerWaalsContact C-N 3.28Å; P35-G37 PolarHBondContact O-N 2.77Å; P35-W247 HydrophobicContact CG-CD2 3.83Å; P35-W247 HydrophobicContact CG-CG 3.84Å; P35-W247 HydrophobicContact CG-CZ2 4.4Å; P35-P365 HydrophobicContact CG-CG 4.33Å
36	N	93.9	Very high	94.4	Very high	127 Å²	127	26.9 Å²	26.9	68%	0.679	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	5.1	177.8	66.8	3	0	0	0	113.7	Q34 S38	Q34-N36 WeakPolarHBondContact CB-OD1 3.4Å; Q34-N36 PolarHBondContact O-N 3.44Å; Q34-N36 VanDerWaalsContact O-N 3.14Å; N36-S38 VanDerWaalsContact C-N 3.3Å; N36-S38 PolarHBondContact O-N 2.81Å; N36-S38 VanDerWaalsContact OD1-CB 3.28Å; N36-S38 WeakPolarHBondContact OD1-CB 3.43Å; N36-S38 PolarHBondContact OD1-N 3.49Å; N36-S38 PolarHBondContact OD1-OG 3.07Å
37	G	94.3	Very high	94.1	Very high	26 Å²	26	27.9 Å²	27.9	27%	0.268	15%	0.154	S	C	.	.	S	Bend	trans	75.4	10.7	-177.5	0	0	0	0	0	114.9	Q34 P35 K213	Q34-G37 PolarHBondContact O-N 3.04Å; P35-G37 VanDerWaalsContact C-N 3.28Å; P35-G37 PolarHBondContact O-N 2.77Å; G37-K213 WeakPolarHBondContact O-CE 3.36Å; G37-K213 PolarHBondContact O-NZ 3Å
38	S	96.9	Very high	93.7	Very high	28 Å²	28	27.8 Å²	27.8	20%	0.196	15%	0.154	C	C	.	.			trans	-77.7	162.3	166.4	65.7	0	0	0	0	111.2	Q34 N36 S209	Q34-S38 WeakPolarHBondContact CB-O 3.47Å; Q34-S38 WeakPolarHBondContact CB-OG 3.48Å; Q34-S38 WeakPolarHBondContact CG-O 3.49Å; Q34-S38 WeakPolarHBondContact CG-OG 3.19Å; Q34-S38 PolarHBondContact N-O 2.94Å; N36-S38 VanDerWaalsContact C-N 3.3Å; N36-S38 PolarHBondContact O-N 2.81Å; N36-S38 VanDerWaalsContact OD1-CB 3.28Å; N36-S38 WeakPolarHBondContact OD1-CB 3.43Å; N36-S38 PolarHBondContact OD1-N 3.49Å; N36-S38 PolarHBondContact OD1-OG 3.07Å; S38-S209 WeakPolarHBondContact CB-OG 3.39Å
39	Y	97.7	Very high	92.5	Very high	45 Å²	45	27.7 Å²	27.7	18%	0.176	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.3	177.3	-65.1	-29.7	0	0	0	110.4	V31 I32 E33 S209 L212 K213 L244	V31-Y39 HydrophobicContact CG1-CD1 4.45Å; V31-Y39 HydrophobicContact CG1-CG 4.09Å; I32-Y39 WeakPolarHBondContact O-CA 3.4Å; E33-Y39 HydrophobicContact CB-CD1 4.07Å; E33-Y39 HydrophobicContact CB-CE1 3.77Å; E33-Y39 HydrophobicContact CG-CD1 4.37Å; E33-Y39 HydrophobicContact CG-CE1 3.82Å; Y39-S209 PolarHBondContact N-OG 2.89Å; Y39-S209 WeakPolarHBondContact O-CA 3.36Å; Y39-S209 VanDerWaalsContact O-CB 3.27Å; Y39-S209 WeakPolarHBondContact O-CB 3.43Å; Y39-L212 HydrophobicContact CD2-CB 4.03Å; Y39-L212 HydrophobicContact CG-CB 4.49Å; Y39-K213 HydrophobicContact CD2-CG 3.59Å; Y39-K213 HydrophobicContact CE2-CG 3.66Å; Y39-K213 HydrophobicContact CG-CG 4.49Å; Y39-L244 HydrophobicContact CD1-CD1 4.24Å; Y39-L244 HydrophobicContact CE1-CD1 4.01Å
40	I	97	Very high	90.9	Very high	67 Å²	67	33.7 Å²	33.7	34%	0.344	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.7	168.1	-52.8	179.5	0	0	0	106.8	V31 I32 Q34 L363	V31-I40 WeakPolarHBondContact CA-O 3.44Å; I32-I40 PolarHBondContact N-O 2.97Å; I32-I40 PolarHBondContact O-N 3.06Å; I32-I40 VanDerWaalsContact O-N 3.12Å; Q34-I40 HydrophobicContact CG-CD1 4Å; Q34-I40 HydrophobicContact CG-CG1 3.94Å; I40-L363 HydrophobicContact CG2-CB 4.47Å; I40-L363 HydrophobicContact CG2-CD2 3.8Å
41	G	94.1	Very high	88.8	Confident	9 Å²	9	40.6 Å²	40.6	9%	0.093	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.4	-176.2	0	0	0	0	0	112	L30	L30-G41 CarbonylContact O-C 3.47Å; L30-G41 VanDerWaalsContact O-CA 3.32Å; L30-G41 WeakPolarHBondContact O-CA 3.49Å
42	S	93.5	Very high	86.6	Confident	15 Å²	15	41.2 Å²	41.2	11%	0.105	22%	0.22	C	C	.	.			trans	-65.9	159.7	167.8	66.8	0	0	0	0	111.1	V29 L30	V29-S42 WeakPolarHBondContact CA-OG 3.43Å; L30-S42 PolarHBondContact N-OG 3.17Å; L30-S42 PolarHBondContact O-N 2.89Å
43	S	89.2	Confident	84.4	Confident	12 Å²	12	41.3 Å²	41.3	8%	0.084	22%	0.221	C	C	.	.			trans	-55	139.3	174.3	-74.6	0	0	0	0	113.5	Y45 V205 E206	S43-Y45 PolarHBondContact O-N 3.22Å; S43-V205 WeakPolarHBondContact OG-CG2 3.23Å; S43-E206 VanDerWaalsContact OG-CG 3.3Å; S43-E206 WeakPolarHBondContact OG-CG 3.41Å; S43-E206 PolarHBondContact OG-OE1 2.85Å
44	F	91	Very high	82.1	Confident	3 Å²	3	45.7 Å²	45.7	1%	0.013	25%	0.245	C	C	.	.			trans	-85.4	82.3	172.8	-72.7	-109.8	0	0	0	109.8	V29 V46 M74 F84 V205 L207 L212 F226 I242	V29-F44 HydrophobicContact CG1-CD2 4.35Å; V29-F44 HydrophobicContact CG1-CE1 4.4Å; V29-F44 HydrophobicContact CG1-CE2 3.87Å; V29-F44 HydrophobicContact CG1-CZ 3.9Å; V29-F44 HydrophobicContact CG2-CD1 3.83Å; V29-F44 HydrophobicContact CG2-CD2 4.29Å; V29-F44 HydrophobicContact CG2-CE1 3.99Å; V29-F44 HydrophobicContact CG2-CE2 4.43Å; V29-F44 HydrophobicContact CG2-CG 3.98Å; V29-F44 HydrophobicContact CG2-CZ 4.29Å; F44-V46 PolarHBondContact O-N 3.21Å; F44-M74 HydrophobicContact CB-CE 4.08Å; F44-F84 HydrophobicContact CB-CE2 3.68Å; F44-F84 HydrophobicContact CB-CZ 3.99Å; F44-F84 HydrophobicContact CD1-CE2 4.35Å; F44-F84 AromaticContact CD1-CZ 3.95Å; F44-F84 HydrophobicContact CD1-CZ 3.95Å; F44-F84 AromaticContact CD2-CE2 3.74Å; F44-F84 HydrophobicContact CD2-CE2 3.74Å; F44-F84 HydrophobicContact CD2-CZ 4.08Å; F44-F84 HydrophobicContact CE1-CZ 4.47Å; F44-F84 HydrophobicContact CE2-CE2 4.48Å; F44-F84 AromaticContact CG-CE2 3.67Å; F44-F84 HydrophobicContact CG-CE2 3.67Å; F44-F84 AromaticContact CG-CZ 3.74Å; F44-F84 HydrophobicContact CG-CZ 3.74Å; F44-V205 WeakPolarHBondContact CB-O 3.24Å; F44-V205 PolarHBondContact N-O 3.45Å; F44-L207 HydrophobicContact CD2-CD1 4.36Å; F44-L207 HydrophobicContact CD2-CG 4.32Å; F44-L207 HydrophobicContact CE1-CD1 4.44Å; F44-L207 HydrophobicContact CE2-CB 4.42Å; F44-L207 HydrophobicContact CE2-CD1 3.65Å; F44-L207 HydrophobicContact CE2-CG 3.93Å; F44-L207 HydrophobicContact CZ-CD1 3.69Å; F44-L207 HydrophobicContact CZ-CG 4.47Å; F44-L212 HydrophobicContact CE2-CD2 4.31Å; F44-L212 HydrophobicContact CZ-CD2 4.35Å; F44-F226 HydrophobicContact CD1-CE1 4.42Å; F44-F226 HydrophobicContact CD1-CZ 4.12Å; F44-I242 HydrophobicContact CE1-CD1 3.99Å; F44-I242 HydrophobicContact CZ-CD1 4.33Å
45	Y	89.6	Confident	80	Confident	77 Å²	77	55.6 Å²	55.6	30%	0.302	28%	0.281	S	S	.	.			trans	-78.7	108	173	-62.6	-63.4	0	0	0	110.3	A26 V27 S43 V205 I304 P333	A26-Y45 WeakPolarHBondContact CA-O 3.5Å; V27-Y45 PolarHBondContact N-O 3.4Å; S43-Y45 PolarHBondContact O-N 3.22Å; Y45-V205 HydrophobicContact CE1-CG2 4.46Å; Y45-I304 VanDerWaalsContact O-CD1 3.26Å; Y45-I304 WeakPolarHBondContact O-CD1 3.38Å; Y45-P333 HydrophobicContact CD1-CB 3.7Å; Y45-P333 HydrophobicContact CD2-CB 3.99Å; Y45-P333 HydrophobicContact CE1-CB 3.75Å; Y45-P333 HydrophobicContact CE2-CB 4.02Å; Y45-P333 HydrophobicContact CG-CB 3.82Å
46	V	89.7	Confident	78.1	Confident	4 Å²	4	52 Å²	52	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.1	179.3	178.2	0	0	0	0	108.9	A26 F44 F48 M74 A82 F226	A26-V46 HydrophobicContact CB-CG2 3.98Å; F44-V46 PolarHBondContact O-N 3.21Å; V46-F48 HydrophobicContact CG1-CD2 4.3Å; V46-F48 HydrophobicContact CG1-CE2 3.82Å; V46-M74 HydrophobicContact CB-CE 4.43Å; V46-M74 HydrophobicContact CG2-CE 4.42Å; V46-M74 HydrophobicContact CG2-SD 4.38Å; V46-A82 HydrophobicContact CB-CB 3.93Å; V46-A82 HydrophobicContact CG1-CB 4.04Å; V46-A82 PolarHBondContact O-N 3.24Å; V46-F226 HydrophobicContact CG1-CB 4.01Å; V46-F226 HydrophobicContact CG1-CD1 4.15Å; V46-F226 HydrophobicContact CG1-CD2 4.14Å; V46-F226 HydrophobicContact CG1-CG 3.82Å; V46-F226 HydrophobicContact CG2-CD1 3.89Å; V46-F226 HydrophobicContact CG2-CD2 3.86Å; V46-F226 HydrophobicContact CG2-CE1 3.69Å; V46-F226 HydrophobicContact CG2-CE2 3.66Å; V46-F226 HydrophobicContact CG2-CG 3.98Å; V46-F226 HydrophobicContact CG2-CZ 3.58Å
47	R	84.7	Confident	76.2	Confident	21 Å²	21	55.8 Å²	55.8	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	137.8	-179.2	-171.6	-176.1	-173.9	94.3	5	111.2	T24 G25 T79 G80 E81 I304 S335	T24-R47 CarbonylContact C-O 3.5Å; T24-R47 VanDerWaalsContact CA-O 3.24Å; T24-R47 WeakPolarHBondContact CA-O 3.43Å; T24-R47 VanDerWaalsContact CG2-O 3.28Å; T24-R47 WeakPolarHBondContact CG2-O 3.42Å; G25-R47 PolarHBondContact N-O 3.4Å; G25-R47 PolarHBondContact O-N 2.89Å; R47-T79 PolarHBondContact NH2-O 2.99Å; R47-G80 CarbonylContact C-O 3.53Å; R47-G80 WeakPolarHBondContact CA-O 3.48Å; R47-E81 IonicContact NH1-OE1 2.81Å; R47-E81 PolarHBondContact NH1-OE1 3.42Å; R47-I304 HydrophobicContact CB-CD1 4.14Å; R47-I304 HydrophobicContact CB-CG2 4.32Å; R47-S335 PolarHBondContact NH1-OG 2.8Å; R47-S335 PolarHBondContact NH2-OG 3.26Å
48	F	82.7	Confident	74.6	Confident	3 Å²	3	60.5 Å²	60.5	1%	0.013	28%	0.278	C	S	.	.			trans	-111.9	124.1	168.7	-72.4	-99.3	0	0	0	110.2	T24 V46 V53 V61 L76 G80 F226 V228 C236	T24-F48 HydrophobicContact CG2-CD1 3.71Å; T24-F48 HydrophobicContact CG2-CE1 4.04Å; T24-F48 HydrophobicContact CG2-CG 4.11Å; V46-F48 HydrophobicContact CG1-CD2 4.3Å; V46-F48 HydrophobicContact CG1-CE2 3.82Å; F48-V53 HydrophobicContact CB-CG2 4.15Å; F48-V61 HydrophobicContact CE2-CG1 3.88Å; F48-V61 HydrophobicContact CE2-CG2 4.32Å; F48-V61 HydrophobicContact CZ-CG1 4.22Å; F48-L76 HydrophobicContact CB-CD1 4Å; F48-L76 HydrophobicContact CB-CD2 4.31Å; F48-L76 HydrophobicContact CD2-CD1 4.39Å; F48-L76 HydrophobicContact CD2-CD2 3.64Å; F48-L76 HydrophobicContact CE2-CD2 4.39Å; F48-L76 HydrophobicContact CG-CD1 4.3Å; F48-L76 HydrophobicContact CG-CD2 4.3Å; F48-G80 PolarHBondContact N-O 3.17Å; F48-G80 WeakPolarHBondContact O-CA 3.23Å; F48-F226 HydrophobicContact CE2-CB 4.16Å; F48-F226 HydrophobicContact CZ-CB 4Å; F48-V228 HydrophobicContact CD1-CB 4.23Å; F48-V228 HydrophobicContact CD1-CG2 3.96Å; F48-V228 HydrophobicContact CD2-CG2 3.98Å; F48-V228 HydrophobicContact CE1-CB 4.02Å; F48-V228 HydrophobicContact CE1-CG2 3.69Å; F48-V228 HydrophobicContact CE2-CG2 3.7Å; F48-V228 HydrophobicContact CG-CG2 4.09Å; F48-V228 HydrophobicContact CZ-CB 4.33Å; F48-V228 HydrophobicContact CZ-CG2 3.55Å; F48-C236 HydrophobicContact CD1-CB 4.31Å; F48-C236 HydrophobicContact CE1-CB 4.33Å
49	G	71.1	Confident	73.6	Confident	2 Å²	2	63.1 Å²	63.1	2%	0.021	29%	0.286	C	S	.	.			trans	-72.5	155.3	175.7	0	0	0	0	0	112.8	A21 L23 T24 M51 G52 V53	A21-G49 CarbonylContact O-C 3.34Å; A21-G49 WeakPolarHBondContact O-CA 3.43Å; L23-G49 PolarHBondContact O-N 3.44Å; T24-G49 PolarHBondContact OG1-N 3.23Å; G49-M51 PolarHBondContact O-N 2.78Å; G49-M51 VanDerWaalsContact O-N 3.12Å; G49-G52 PolarHBondContact O-N 2.86Å; G49-V53 PolarHBondContact O-N 2.96Å
50	K	62.7	Low	73.1	Confident	126 Å²	126	62.8 Å²	62.8	55%	0.548	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.8	-179.1	-69.2	-173.3	179.2	179.9	0	114.4	A21 G52 V53 L54	A21-K50 HydrophobicContact CB-CD 4.26Å; A21-K50 PolarHBondContact O-N 3.26Å; K50-G52 VanDerWaalsContact C-N 3.35Å; K50-V53 CarbonylContact O-C 3.55Å; K50-L54 PolarHBondContact O-N 3.08Å
51	M	53.6	Low	72.7	Confident	145 Å²	145	59.6 Å²	59.6	71%	0.714	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-27	175.1	-161.8	171.8	84.9	0	0	112	T22 G49 Q233	T22-M51 HydrophobicContact CG2-CB 3.93Å; G49-M51 PolarHBondContact O-N 2.78Å; G49-M51 VanDerWaalsContact O-N 3.12Å; M51-Q233 PolarHBondContact O-NE2 3.27Å
52	G	52.3	Low	72.6	Confident	14 Å²	14	61.8 Å²	61.8	14%	0.144	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-24.3	173.3	0	0	0	0	0	113.8	G49 K50 Q233	G49-G52 PolarHBondContact O-N 2.86Å; K50-G52 VanDerWaalsContact C-N 3.35Å; G52-Q233 VanDerWaalsContact C-OE1 3.28Å; G52-Q233 PolarHBondContact O-OE1 3.25Å; G52-Q233 VanDerWaalsContact O-OE1 3.08Å
53	V	51.5	Low	72.6	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.012	28%	0.276	C	S	.	.			trans	-141.1	90.5	-179.6	-168.4	0	0	0	0	110.8	F48 G49 K50 R55 K59 L76 V228 T230	F48-V53 HydrophobicContact CB-CG2 4.15Å; G49-V53 PolarHBondContact O-N 2.96Å; K50-V53 CarbonylContact O-C 3.55Å; V53-R55 PolarHBondContact O-N 3.19Å; V53-K59 HydrophobicContact CG1-CG 4.09Å; V53-L76 HydrophobicContact CB-CD1 4.47Å; V53-L76 HydrophobicContact CG1-CD1 4.31Å; V53-L76 HydrophobicContact CG2-CD1 3.99Å; V53-V228 HydrophobicContact CG2-CB 4.37Å; V53-V228 HydrophobicContact CG2-CG1 3.8Å; V53-T230 HydrophobicContact CB-CG2 4.46Å; V53-T230 HydrophobicContact CG1-CG2 3.94Å; V53-T230 HydrophobicContact CG2-CG2 4.31Å
54	L	48.6	Very low	72.9	Confident	129 Å²	129	61.5 Å²	61.5	68%	0.675	28%	0.278	S	S	*	.	S	Bend	trans	-67.7	113.5	165.6	-84	160.1	0	0	0	107.8	K50	K50-L54 PolarHBondContact O-N 3.08Å
55	R	53.5	Low	73.2	Confident	224 Å²	224	61.4 Å²	61.4	85%	0.845	28%	0.278	S	S	*	.	S	Bend	trans	71.8	78.6	-168.7	-52.8	179.7	176.7	-163.6	-1	112.9	V53 R57	V53-R55 PolarHBondContact O-N 3.19Å; R55-R57 PolarHBondContact O-N 3.2Å; R55-R57 VanDerWaalsContact O-N 3.13Å
56	S	52.6	Low	73.5	Confident	14 Å²	14	60.6 Å²	60.6	10%	0.098	28%	0.279	C	S	.	.			trans	-65	-9.2	176.2	62.4	0	0	0	0	115.2	E58 L76 S77 D78	S56-E58 PolarHBondContact O-N 3.42Å; S56-L76 WeakPolarHBondContact O-CB 3.37Å; S56-S77 WeakPolarHBondContact CB-O 3.19Å; S56-S77 PolarHBondContact OG-O 3.06Å; S56-D78 WeakPolarHBondContact OG-CA 3.04Å; S56-D78 PolarHBondContact OG-O 3.42Å
57	R	53.2	Low	73.7	Confident	205 Å²	205	66.3 Å²	66.3	77%	0.774	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	111.6	-178.3	-76.5	-173.8	178.8	174.3	-1.2	110.5	R55 K59	R55-R57 PolarHBondContact O-N 3.2Å; R55-R57 VanDerWaalsContact O-N 3.13Å; R57-K59 VanDerWaalsContact C-N 3.32Å; R57-K59 PolarHBondContact O-N 3.42Å
58	E	61.2	Low	74.3	Confident	125 Å²	125	70.8 Å²	70.8	58%	0.584	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	22.1	162.5	-56.6	177.2	167.1	0	0	116.3	S56	S56-E58 PolarHBondContact O-N 3.42Å
59	K	77	Confident	74.7	Confident	84 Å²	84	75.9 Å²	75.9	37%	0.365	36%	0.358	S	S	.	.			trans	-70.7	134.5	170.3	-63	-57.4	-177.5	-171.9	0	110.8	V53 R57 K75 L76 V228	V53-K59 HydrophobicContact CG1-CG 4.09Å; R57-K59 VanDerWaalsContact C-N 3.32Å; R57-K59 PolarHBondContact O-N 3.42Å; K59-K75 WeakPolarHBondContact O-CA 3.41Å; K59-L76 HydrophobicContact CB-CD1 4.29Å; K59-L76 PolarHBondContact O-N 3.39Å; K59-V228 HydrophobicContact CB-CG1 3.95Å
60	I	85.7	Confident	75.8	Confident	38 Å²	38	76.3 Å²	76.3	20%	0.195	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.2	172.3	-63	-172.1	0	0	0	108.7	Y73 M74 A184	I60-Y73 HydrophobicContact CG2-CD1 3.78Å; I60-Y73 HydrophobicContact CG2-CG 4.15Å; I60-M74 CarbonylContact C-O 3.55Å; I60-M74 WeakPolarHBondContact CA-O 3.49Å; I60-A184 HydrophobicContact CD1-CB 3.35Å; I60-A184 HydrophobicContact CG1-CB 3.86Å
61	V	90	Very high	76.9	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	116	172.3	-172.5	0	0	0	0	107.3	F48 M74 L76 A82 F226 S227 V228	F48-V61 HydrophobicContact CE2-CG1 3.88Å; F48-V61 HydrophobicContact CE2-CG2 4.32Å; F48-V61 HydrophobicContact CZ-CG1 4.22Å; V61-M74 HydrophobicContact CB-CB 3.95Å; V61-M74 HydrophobicContact CG2-CB 4.11Å; V61-M74 PolarHBondContact N-O 3.41Å; V61-M74 PolarHBondContact O-N 3.05Å; V61-L76 HydrophobicContact CG2-CD2 3.51Å; V61-L76 HydrophobicContact CG2-CG 3.81Å; V61-A82 HydrophobicContact CG2-CB 4.07Å; V61-F226 HydrophobicContact CG1-CB 3.74Å; V61-F226 HydrophobicContact CG1-CD1 4.24Å; V61-F226 HydrophobicContact CG1-CG 4.5Å; V61-S227 CarbonylContact C-O 3.47Å; V61-S227 WeakPolarHBondContact CA-O 3.47Å; V61-V228 HydrophobicContact CB-CG2 4.13Å; V61-V228 HydrophobicContact CG1-CG2 4.09Å; V61-V228 HydrophobicContact CG2-CG2 3.7Å
62	D	90.4	Very high	78.5	Confident	55 Å²	55	71 Å²	71	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	139.7	172.9	-62	-49.6	0	0	0	109.8	L69 F226 S227	D62-L69 HydrophobicContact CB-CD1 4.26Å; D62-F226 CarbonylContact O-C 3.59Å; D62-F226 WeakPolarHBondContact O-CA 3.29Å; D62-S227 PolarHBondContact N-O 3.42Å; D62-S227 PolarHBondContact O-N 3.44Å
63	I	94.3	Very high	80.1	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.4	-179.2	-53	177.7	0	0	0	109	I65 L69 V70 I72 M74 F84 R225 F226	I63-I65 HydrophobicContact CG2-CG1 4.13Å; I63-L69 WeakPolarHBondContact O-CD1 3.4Å; I63-V70 HydrophobicContact CB-CG2 3.69Å; I63-V70 HydrophobicContact CG2-CG2 3.77Å; I63-V70 VanDerWaalsContact O-CG2 3.31Å; I63-V70 WeakPolarHBondContact O-CG2 3.19Å; I63-V70 PolarHBondContact O-N 3.26Å; I63-I72 HydrophobicContact CD1-CD1 4.19Å; I63-I72 HydrophobicContact CD1-CG1 4.28Å; I63-M74 HydrophobicContact CD1-CG 3.99Å; I63-M74 HydrophobicContact CD1-SD 4.1Å; I63-F84 HydrophobicContact CD1-CE1 3.75Å; I63-F84 HydrophobicContact CD1-CZ 4.37Å; I63-R225 WeakPolarHBondContact CA-O 3.38Å; I63-F226 HydrophobicContact CD1-CD1 4.19Å; I63-F226 HydrophobicContact CD1-CE1 3.94Å; I63-F226 HydrophobicContact CG1-CD1 3.82Å; I63-F226 HydrophobicContact CG1-CE1 3.99Å; I63-F226 HydrophobicContact CG2-CD1 4.44Å; I63-F226 HydrophobicContact CG2-CE1 4.14Å
64	S	95	Very high	81.9	Confident	19 Å²	19	75.1 Å²	75.1	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.2	166.2	65.7	0	0	0	0	110.4	Q68 A224 R225	S64-Q68 CarbonylContact C-O 2.94Å; S64-Q68 VanDerWaalsContact CA-O 3.23Å; S64-Q68 WeakPolarHBondContact CA-O 3.27Å; S64-A224 CarbonylContact O-C 3.54Å; S64-A224 WeakPolarHBondContact O-CA 3.42Å; S64-R225 PolarHBondContact N-O 2.92Å; S64-R225 PolarHBondContact O-N 2.75Å; S64-R225 WeakPolarHBondContact OG-CB 3.45Å
65	I	97.2	Very high	83.7	Confident	1 Å²	1	70 Å²	70	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.1	177.1	-61.4	176.4	0	0	0	107.9	I63 D67 Q68 V70 L215 P216 L217 N222 K223 A224 I242	I63-I65 HydrophobicContact CG2-CG1 4.13Å; I65-D67 PolarHBondContact O-N 3.01Å; I65-Q68 PolarHBondContact N-O 3.05Å; I65-Q68 WeakPolarHBondContact O-CB 3.32Å; I65-Q68 PolarHBondContact O-N 3.44Å; I65-V70 HydrophobicContact CB-CG1 4.27Å; I65-V70 HydrophobicContact CD1-CG1 4.16Å; I65-V70 HydrophobicContact CD1-CG2 4.45Å; I65-V70 HydrophobicContact CG1-CG1 4.26Å; I65-L215 HydrophobicContact CD1-CB 3.91Å; I65-L215 HydrophobicContact CD1-CD1 3.75Å; I65-L215 HydrophobicContact CD1-CD2 3.89Å; I65-L215 HydrophobicContact CD1-CG 4.04Å; I65-P216 HydrophobicContact CB-CG 4.12Å; I65-P216 HydrophobicContact CG2-CG 4.22Å; I65-L217 HydrophobicContact CG2-CD2 3.98Å; I65-N222 HydrophobicContact CG2-CB 4.32Å; I65-K223 CarbonylContact C-O 3.56Å; I65-K223 VanDerWaalsContact CA-O 3.29Å; I65-K223 WeakPolarHBondContact CA-O 3.34Å; I65-A224 HydrophobicContact CG1-CB 4.38Å; I65-I242 HydrophobicContact CD1-CD1 3.76Å; I65-I242 HydrophobicContact CG1-CD1 4.19Å
66	N	96.6	Very high	85.1	Confident	59 Å²	59	59.5 Å²	59.5	32%	0.316	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	44.3	-174.8	-60.8	-32.3	0	0	0	112	Q68 P216 N222 K223	N66-Q68 PolarHBondContact O-N 3.08Å; N66-Q68 VanDerWaalsContact O-N 3.08Å; N66-P216 PolarHBondContact ND2-O 2.77Å; N66-N222 PolarHBondContact ND2-OD1 3.37Å; N66-N222 VanDerWaalsContact OD1-CA 3.3Å; N66-N222 WeakPolarHBondContact OD1-CA 3.45Å; N66-K223 PolarHBondContact N-O 3.1Å; N66-K223 PolarHBondContact OD1-N 3.22Å
67	D	94.9	Very high	86.2	Confident	124 Å²	124	59.2 Å²	59.2	66%	0.663	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	11	-177.4	-54.2	-55.2	0	0	0	115	I65	I65-D67 PolarHBondContact O-N 3.01Å
68	Q	95.4	Very high	87.2	Confident	115 Å²	115	54.6 Å²	54.6	54%	0.537	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.9	172.5	-175.1	178.1	-0.1	0	0	110.6	S64 I65 N66 V70 P216	S64-Q68 CarbonylContact C-O 2.94Å; S64-Q68 VanDerWaalsContact CA-O 3.23Å; S64-Q68 WeakPolarHBondContact CA-O 3.27Å; I65-Q68 PolarHBondContact N-O 3.05Å; I65-Q68 WeakPolarHBondContact O-CB 3.32Å; I65-Q68 PolarHBondContact O-N 3.44Å; N66-Q68 PolarHBondContact O-N 3.08Å; N66-Q68 VanDerWaalsContact O-N 3.08Å; Q68-V70 PolarHBondContact O-N 3.35Å; Q68-P216 HydrophobicContact CB-CG 4.28Å
69	L	92.7	Very high	87.6	Confident	111 Å²	111	51.4 Å²	51.4	58%	0.581	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.2	173.6	-169	75.5	0	0	0	109.9	D62 I63	D62-L69 HydrophobicContact CB-CD1 4.26Å; I63-L69 WeakPolarHBondContact O-CD1 3.4Å
70	V	92.5	Very high	87.7	Confident	10 Å²	10	47.5 Å²	47.5	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	149.2	177.5	-63.9	0	0	0	0	111	I63 I65 Q68 I72 L215 P216	I63-V70 HydrophobicContact CB-CG2 3.69Å; I63-V70 HydrophobicContact CG2-CG2 3.77Å; I63-V70 VanDerWaalsContact O-CG2 3.31Å; I63-V70 WeakPolarHBondContact O-CG2 3.19Å; I63-V70 PolarHBondContact O-N 3.26Å; I65-V70 HydrophobicContact CB-CG1 4.27Å; I65-V70 HydrophobicContact CD1-CG1 4.16Å; I65-V70 HydrophobicContact CD1-CG2 4.45Å; I65-V70 HydrophobicContact CG1-CG1 4.26Å; Q68-V70 PolarHBondContact O-N 3.35Å; V70-I72 HydrophobicContact CB-CG1 4.19Å; V70-I72 HydrophobicContact CG2-CD1 4.27Å; V70-I72 HydrophobicContact CG2-CG1 3.5Å; V70-I72 VanDerWaalsContact CG2-CG1 3.5Å; V70-I72 PolarHBondContact O-N 3.46Å; V70-L215 HydrophobicContact CB-CD2 4.14Å; V70-L215 HydrophobicContact CG1-CD2 4.08Å; V70-L215 HydrophobicContact CG2-CD2 4.22Å; V70-P216 VanDerWaalsContact CG1-CD 3.49Å; V70-P216 HydrophobicContact CG1-CG 4.15Å
71	N	87.1	Confident	87.4	Confident	138 Å²	138	49.5 Å²	49.5	74%	0.738	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	45.6	179.8	-166.5	28.3	0	0	0	112.2	Y73	N71-Y73 WeakPolarHBondContact OD1-CE2 3.32Å; N71-Y73 PolarHBondContact OD1-OH 3.5Å
72	I	87.7	Confident	87.3	Confident	23 Å²	23	49.7 Å²	49.7	12%	0.118	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142	169.2	56.1	158.2	0	0	0	108.1	I63 V70 F84 L207 L215	I63-I72 HydrophobicContact CD1-CD1 4.19Å; I63-I72 HydrophobicContact CD1-CG1 4.28Å; V70-I72 HydrophobicContact CB-CG1 4.19Å; V70-I72 HydrophobicContact CG2-CD1 4.27Å; V70-I72 HydrophobicContact CG2-CG1 3.5Å; V70-I72 VanDerWaalsContact CG2-CG1 3.5Å; V70-I72 PolarHBondContact O-N 3.46Å; I72-F84 HydrophobicContact CD1-CE1 4.01Å; I72-L207 HydrophobicContact CD1-CD1 3.73Å; I72-L207 HydrophobicContact CD1-CD2 4.38Å; I72-L215 HydrophobicContact CD1-CD2 3.55Å; I72-L215 HydrophobicContact CG1-CD2 3.94Å
73	Y	85.3	Confident	87.1	Confident	101 Å²	101	48 Å²	48	40%	0.396	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.3	-173.5	-52.4	-89	0	0	0	110	I60 N71	I60-Y73 HydrophobicContact CG2-CD1 3.78Å; I60-Y73 HydrophobicContact CG2-CG 4.15Å; N71-Y73 WeakPolarHBondContact OD1-CE2 3.32Å; N71-Y73 PolarHBondContact OD1-OH 3.5Å
74	M	89.7	Confident	86.8	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	158.8	166.7	-58.3	166.7	97.6	0	0	109.8	F44 V46 I60 V61 I63 A82 F83 F84 F226	F44-M74 HydrophobicContact CB-CE 4.08Å; V46-M74 HydrophobicContact CB-CE 4.43Å; V46-M74 HydrophobicContact CG2-CE 4.42Å; V46-M74 HydrophobicContact CG2-SD 4.38Å; I60-M74 CarbonylContact C-O 3.55Å; I60-M74 WeakPolarHBondContact CA-O 3.49Å; V61-M74 HydrophobicContact CB-CB 3.95Å; V61-M74 HydrophobicContact CG2-CB 4.11Å; V61-M74 PolarHBondContact N-O 3.41Å; V61-M74 PolarHBondContact O-N 3.05Å; I63-M74 HydrophobicContact CD1-CG 3.99Å; I63-M74 HydrophobicContact CD1-SD 4.1Å; M74-A82 HydrophobicContact CB-CB 3.92Å; M74-A82 HydrophobicContact CE-CB 3.74Å; M74-A82 WeakPolarHBondContact CE-O 3.32Å; M74-A82 HydrophobicContact CG-CB 4.47Å; M74-A82 HydrophobicContact SD-CB 3.85Å; M74-F83 CarbonylContact C-O 3.59Å; M74-F83 WeakPolarHBondContact CA-O 3.24Å; M74-F83 VanDerWaalsContact CB-O 3.31Å; M74-F83 WeakPolarHBondContact CB-O 3.34Å; M74-F84 HydrophobicContact CE-CD2 4.37Å; M74-F84 HydrophobicContact CE-CE1 4.36Å; M74-F84 HydrophobicContact CE-CE2 4.04Å; M74-F84 HydrophobicContact CE-CZ 4.03Å; M74-F84 HydrophobicContact CG-CD1 3.47Å; M74-F84 VanDerWaalsContact CG-CD1 3.47Å; M74-F84 HydrophobicContact CG-CE1 3.36Å; M74-F84 HydrophobicContact CG-CG 4.15Å; M74-F84 HydrophobicContact CG-CZ 3.97Å; M74-F84 HydrophobicContact SD-CE1 3.98Å; M74-F84 HydrophobicContact SD-CZ 4.01Å; M74-F226 HydrophobicContact SD-CD1 4Å; M74-F226 HydrophobicContact SD-CE1 3.9Å
75	K	84.9	Confident	86.2	Confident	20 Å²	20	49.6 Å²	49.6	9%	0.087	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.5	165.9	-72.2	-165	177.7	-177.9	0	109.8	K59 A82 F83 L85	K59-K75 WeakPolarHBondContact O-CA 3.41Å; K75-A82 CarbonylContact O-C 3.5Å; K75-A82 VanDerWaalsContact O-CA 3.31Å; K75-A82 WeakPolarHBondContact O-CA 3.43Å; K75-F83 HydrophobicContact CB-CE1 4.41Å; K75-F83 HydrophobicContact CB-CE2 4Å; K75-F83 HydrophobicContact CB-CZ 3.85Å; K75-F83 PolarHBondContact N-O 3.22Å; K75-F83 VanDerWaalsContact O-CD1 3.29Å; K75-F83 WeakPolarHBondContact O-CD1 3.24Å; K75-F83 WeakPolarHBondContact O-CE1 3.34Å; K75-F83 PolarHBondContact O-N 2.75Å; K75-L85 HydrophobicContact CD-CD1 3.76Å; K75-L85 HydrophobicContact CD-CG 4.42Å; K75-L85 HydrophobicContact CG-CD1 4.16Å
76	L	82.7	Confident	85	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	136.3	171.2	-63.1	-172.9	0	0	0	111.9	F48 V53 S56 K59 V61 E81 A82 V228	F48-L76 HydrophobicContact CB-CD1 4Å; F48-L76 HydrophobicContact CB-CD2 4.31Å; F48-L76 HydrophobicContact CD2-CD1 4.39Å; F48-L76 HydrophobicContact CD2-CD2 3.64Å; F48-L76 HydrophobicContact CE2-CD2 4.39Å; F48-L76 HydrophobicContact CG-CD1 4.3Å; F48-L76 HydrophobicContact CG-CD2 4.3Å; V53-L76 HydrophobicContact CB-CD1 4.47Å; V53-L76 HydrophobicContact CG1-CD1 4.31Å; V53-L76 HydrophobicContact CG2-CD1 3.99Å; S56-L76 WeakPolarHBondContact O-CB 3.37Å; K59-L76 HydrophobicContact CB-CD1 4.29Å; K59-L76 PolarHBondContact O-N 3.39Å; V61-L76 HydrophobicContact CG2-CD2 3.51Å; V61-L76 HydrophobicContact CG2-CG 3.81Å; L76-E81 CarbonylContact C-O 3.51Å; L76-E81 WeakPolarHBondContact CA-O 3.45Å; L76-A82 HydrophobicContact CD2-CB 3.82Å; L76-V228 HydrophobicContact CD1-CG1 4.21Å; L76-V228 HydrophobicContact CD1-CG2 4.05Å; L76-V228 HydrophobicContact CG-CG2 4.44Å
77	S	77.2	Confident	83.6	Confident	9 Å²	9	55 Å²	55	6%	0.063	27%	0.274	C	S	.	.			trans	-75.2	173.5	166.7	69.6	0	0	0	0	111.5	S56 T79 G80 E81	S56-S77 WeakPolarHBondContact CB-O 3.19Å; S56-S77 PolarHBondContact OG-O 3.06Å; S77-T79 PolarHBondContact O-N 3.04Å; S77-T79 PolarHBondContact OG-N 3.46Å; S77-T79 PolarHBondContact OG-OG1 3.33Å; S77-G80 PolarHBondContact O-N 3.29Å; S77-G80 VanDerWaalsContact O-N 3.12Å; S77-G80 PolarHBondContact OG-N 3.38Å; S77-E81 PolarHBondContact N-O 3.47Å; S77-E81 PolarHBondContact OG-N 2.94Å; S77-E81 PolarHBondContact OG-O 2.98Å
78	D	73	Confident	82	Confident	107 Å²	107	50.6 Å²	50.6	57%	0.572	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.8	169.1	61.5	-21.5	0	0	0	113.4	S56 G80	S56-D78 WeakPolarHBondContact OG-CA 3.04Å; S56-D78 PolarHBondContact OG-O 3.42Å; D78-G80 VanDerWaalsContact C-N 3.32Å
79	T	70.5	Confident	80.1	Confident	58 Å²	58	51.1 Å²	51.1	36%	0.356	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-16	172.5	63.1	0	0	0	0	113	R47 S77 E81	R47-T79 PolarHBondContact NH2-O 2.99Å; S77-T79 PolarHBondContact O-N 3.04Å; S77-T79 PolarHBondContact OG-N 3.46Å; S77-T79 PolarHBondContact OG-OG1 3.33Å; T79-E81 VanDerWaalsContact OG1-CD 3.25Å; T79-E81 PolarHBondContact OG1-OE2 3.21Å
80	G	78.2	Confident	77.7	Confident	2 Å²	2	51.3 Å²	51.3	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	90.8	6.1	-176.3	0	0	0	0	0	114.2	R47 F48 S77 D78	R47-G80 CarbonylContact C-O 3.53Å; R47-G80 WeakPolarHBondContact CA-O 3.48Å; F48-G80 PolarHBondContact N-O 3.17Å; F48-G80 WeakPolarHBondContact O-CA 3.23Å; S77-G80 PolarHBondContact O-N 3.29Å; S77-G80 VanDerWaalsContact O-N 3.12Å; S77-G80 PolarHBondContact OG-N 3.38Å; D78-G80 VanDerWaalsContact C-N 3.32Å
81	E	80.9	Confident	75	Confident	81 Å²	81	55.2 Å²	55.2	38%	0.379	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-74.2	135.9	171	-75.1	146.5	-167.2	0	0	110.2	R47 L76 S77 T79	R47-E81 IonicContact NH1-OE1 2.81Å; R47-E81 PolarHBondContact NH1-OE1 3.42Å; L76-E81 CarbonylContact C-O 3.51Å; L76-E81 WeakPolarHBondContact CA-O 3.45Å; S77-E81 PolarHBondContact N-O 3.47Å; S77-E81 PolarHBondContact OG-N 2.94Å; S77-E81 PolarHBondContact OG-O 2.98Å; T79-E81 VanDerWaalsContact OG1-CD 3.25Å; T79-E81 PolarHBondContact OG1-OE2 3.21Å
82	A	86.2	Confident	72.5	Confident	3 Å²	3	54.9 Å²	54.9	3%	0.025	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.3	173.8	0	0	0	0	0	110.2	V46 V61 M74 K75 L76	V46-A82 HydrophobicContact CB-CB 3.93Å; V46-A82 HydrophobicContact CG1-CB 4.04Å; V46-A82 PolarHBondContact O-N 3.24Å; V61-A82 HydrophobicContact CG2-CB 4.07Å; M74-A82 HydrophobicContact CB-CB 3.92Å; M74-A82 HydrophobicContact CE-CB 3.74Å; M74-A82 WeakPolarHBondContact CE-O 3.32Å; M74-A82 HydrophobicContact CG-CB 4.47Å; M74-A82 HydrophobicContact SD-CB 3.85Å; K75-A82 CarbonylContact O-C 3.5Å; K75-A82 VanDerWaalsContact O-CA 3.31Å; K75-A82 WeakPolarHBondContact O-CA 3.43Å; L76-A82 HydrophobicContact CD2-CB 3.82Å
83	F	86.7	Confident	69.9	Low	21 Å²	21	57 Å²	57	9%	0.092	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	150.2	175	58.1	-90.9	0	0	0	111	M74 K75 L85 R203 C204	M74-F83 CarbonylContact C-O 3.59Å; M74-F83 WeakPolarHBondContact CA-O 3.24Å; M74-F83 VanDerWaalsContact CB-O 3.31Å; M74-F83 WeakPolarHBondContact CB-O 3.34Å; K75-F83 HydrophobicContact CB-CE1 4.41Å; K75-F83 HydrophobicContact CB-CE2 4Å; K75-F83 HydrophobicContact CB-CZ 3.85Å; K75-F83 PolarHBondContact N-O 3.22Å; K75-F83 VanDerWaalsContact O-CD1 3.29Å; K75-F83 WeakPolarHBondContact O-CD1 3.24Å; K75-F83 WeakPolarHBondContact O-CE1 3.34Å; K75-F83 PolarHBondContact O-N 2.75Å; F83-L85 HydrophobicContact CD2-CD2 4.39Å; F83-L85 HydrophobicContact CE2-CD2 3.81Å; F83-L85 HydrophobicContact CE2-CG 4.48Å; F83-R203 HydrophobicContact CB-CB 4.34Å; F83-R203 HydrophobicContact CD2-CB 3.76Å; F83-R203 HydrophobicContact CD2-CG 3.59Å; F83-R203 HydrophobicContact CE2-CB 4.3Å; F83-R203 HydrophobicContact CE2-CG 3.61Å; F83-R203 HydrophobicContact CG-CB 4.06Å; F83-R203 HydrophobicContact CG-CG 4.11Å; F83-R203 HydrophobicContact CZ-CG 4.13Å; F83-C204 CarbonylContact C-O 3.5Å
84	F	88.7	Confident	67.2	Low	8 Å²	8	59.6 Å²	59.6	4%	0.035	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	151.2	168.5	-57.1	-69.4	0	0	0	111.2	F44 I63 I72 M74 C204 L207	F44-F84 HydrophobicContact CB-CE2 3.68Å; F44-F84 HydrophobicContact CB-CZ 3.99Å; F44-F84 HydrophobicContact CD1-CE2 4.35Å; F44-F84 AromaticContact CD1-CZ 3.95Å; F44-F84 HydrophobicContact CD1-CZ 3.95Å; F44-F84 AromaticContact CD2-CE2 3.74Å; F44-F84 HydrophobicContact CD2-CE2 3.74Å; F44-F84 HydrophobicContact CD2-CZ 4.08Å; F44-F84 HydrophobicContact CE1-CZ 4.47Å; F44-F84 HydrophobicContact CE2-CE2 4.48Å; F44-F84 AromaticContact CG-CE2 3.67Å; F44-F84 HydrophobicContact CG-CE2 3.67Å; F44-F84 AromaticContact CG-CZ 3.74Å; F44-F84 HydrophobicContact CG-CZ 3.74Å; I63-F84 HydrophobicContact CD1-CE1 3.75Å; I63-F84 HydrophobicContact CD1-CZ 4.37Å; I72-F84 HydrophobicContact CD1-CE1 4.01Å; M74-F84 HydrophobicContact CE-CD2 4.37Å; M74-F84 HydrophobicContact CE-CE1 4.36Å; M74-F84 HydrophobicContact CE-CE2 4.04Å; M74-F84 HydrophobicContact CE-CZ 4.03Å; M74-F84 HydrophobicContact CG-CD1 3.47Å; M74-F84 VanDerWaalsContact CG-CD1 3.47Å; M74-F84 HydrophobicContact CG-CE1 3.36Å; M74-F84 HydrophobicContact CG-CG 4.15Å; M74-F84 HydrophobicContact CG-CZ 3.97Å; M74-F84 HydrophobicContact SD-CE1 3.98Å; M74-F84 HydrophobicContact SD-CZ 4.01Å; F84-C204 WeakPolarHBondContact CA-O 3.4Å; F84-C204 WeakPolarHBondContact CB-O 3.28Å; F84-C204 PolarHBondContact N-O 3.34Å; F84-C204 PolarHBondContact O-N 3.43Å; F84-L207 HydrophobicContact CD1-CD2 3.85Å; F84-L207 HydrophobicContact CD2-CD2 3.67Å; F84-L207 HydrophobicContact CD2-CG 4.1Å; F84-L207 HydrophobicContact CE1-CD1 4.43Å; F84-L207 HydrophobicContact CE1-CD2 3.85Å; F84-L207 HydrophobicContact CE1-CG 4.4Å; F84-L207 HydrophobicContact CE2-CD1 4.23Å; F84-L207 HydrophobicContact CE2-CD2 3.65Å; F84-L207 HydrophobicContact CE2-CG 3.65Å; F84-L207 HydrophobicContact CG-CD2 3.77Å; F84-L207 HydrophobicContact CZ-CD1 3.92Å; F84-L207 HydrophobicContact CZ-CD2 3.76Å; F84-L207 HydrophobicContact CZ-CG 3.83Å
85	L	81.3	Confident	64.2	Low	46 Å²	46	62.8 Å²	62.8	24%	0.241	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111	169.8	-71.2	175.7	0	0	0	109.2	K75 F83 Y201	K75-L85 HydrophobicContact CD-CD1 3.76Å; K75-L85 HydrophobicContact CD-CG 4.42Å; K75-L85 HydrophobicContact CG-CD1 4.16Å; F83-L85 HydrophobicContact CD2-CD2 4.39Å; F83-L85 HydrophobicContact CE2-CD2 3.81Å; F83-L85 HydrophobicContact CE2-CG 4.48Å; L85-Y201 HydrophobicContact CB-CD1 3.99Å
86	D	73.7	Confident	61.4	Low	65 Å²	65	69.2 Å²	69.2	35%	0.348	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.8	172.7	-168.5	18	0	0	0	110.3	L88 Y201 R202 C204	D86-L88 PolarHBondContact O-N 3.07Å; D86-Y201 CarbonylContact O-C 3.49Å; D86-Y201 VanDerWaalsContact O-CA 3.24Å; D86-Y201 WeakPolarHBondContact O-CA 3.13Å; D86-R202 PolarHBondContact N-O 3.02Å; D86-R202 PolarHBondContact O-N 3.46Å; D86-C204 HydrophobicContact CB-CB 4.47Å
87	R	66.6	Low	59.1	Low	108 Å²	108	74.2 Å²	74.2	41%	0.408	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	117.3	177.6	-79.6	-178.5	175	-179.8	-0.8	108.1	T89 Y201	R87-T89 PolarHBondContact O-N 3.47Å; R87-T89 VanDerWaalsContact O-N 3.11Å; R87-Y201 HydrophobicContact CB-CE1 4.38Å; R87-Y201 HydrophobicContact CG-CD1 3.83Å; R87-Y201 HydrophobicContact CG-CE1 3.22Å; R87-Y201 PolarHBondContact NE-OH 2.91Å; R87-Y201 VanDerWaalsContact NE-OH 3.08Å
88	L	60.4	Low	57	Low	31 Å²	31	78.1 Å²	78.1	16%	0.162	49%	0.489	C	S	.	.			trans	-71.5	109	170	-64.8	168.9	0	0	0	108.1	D86 D90 T173 R200 R202	D86-L88 PolarHBondContact O-N 3.07Å; L88-D90 PolarHBondContact O-N 2.96Å; L88-T173 HydrophobicContact CD1-CG2 3.96Å; L88-R200 HydrophobicContact CB-CB 4.33Å; L88-R200 WeakPolarHBondContact CB-O 3.12Å; L88-R200 HydrophobicContact CD1-CB 4.01Å; L88-R200 HydrophobicContact CD1-CG 3.8Å; L88-R200 PolarHBondContact N-O 3.07Å; L88-R202 HydrophobicContact CD1-CB 4.47Å; L88-R202 HydrophobicContact CD2-CB 4.24Å; L88-R202 HydrophobicContact CG-CB 4.32Å
89	T	55.3	Low	55.2	Low	127 Å²	127	77.6 Å²	77.6	78%	0.779	50%	0.5	S	S	*	.			trans	-74.4	102.2	163.5	45	0	0	0	0	107	R87 A91	R87-T89 PolarHBondContact O-N 3.47Å; R87-T89 VanDerWaalsContact O-N 3.11Å; T89-A91 PolarHBondContact O-N 3.01Å
90	D	43.8	Very low	53.6	Low	115 Å²	115	79.6 Å²	79.6	62%	0.615	52%	0.523	S	S	*	.			trans	-66.7	78.3	169.1	-71.7	-27.8	0	0	0	108.3	L88 V92	L88-D90 PolarHBondContact O-N 2.96Å; D90-V92 PolarHBondContact O-N 2.97Å
91	A	35.2	Very low	51.9	Low	91 Å²	91	84.8 Å²	84.8	75%	0.752	55%	0.55	S	S	*	*			trans	-88.4	54.6	172.8	0	0	0	0	0	110.1	T89	T89-A91 PolarHBondContact O-N 3.01Å
92	V	35.6	Very low	49.8	Very low	132 Å²	132	87.2 Å²	87.2	80%	0.8	57%	0.565	S	S	*	*	S	Bend	trans	-142.1	115.7	154.9	-176.7	0	0	0	0	106.1	D90	D90-V92 PolarHBondContact O-N 2.97Å
93	G	31.2	Very low	48.2	Very low	66 Å²	66	91.2 Å²	91.2	68%	0.68	59%	0.586	S	S	*	*			trans	-57.9	145.8	-171.4	0	0	0	0	0	114.2	G95	G93-G95 PolarHBondContact O-N 3.25Å
94	V	29.5	Very low	47.3	Very low	157 Å²	157	93.9 Å²	93.9	95%	0.952	60%	0.604	S	S	*	*			trans	13.2	89.5	148.4	-167.9	0	0	0	0	114.5
95	G	26.6	Very low	46.3	Very low	68 Å²	68	99.6 Å²	99.6	70%	0.701	63%	0.631	S	S	*	*			trans	-140.2	126.7	158.3	0	0	0	0	0	106.8	G93	G93-G95 PolarHBondContact O-N 3.25Å
96	D	26.9	Very low	45.4	Very low	154 Å²	154	104.2 Å²	104.2	82%	0.824	65%	0.651	S	S	*	*			trans	-42.5	146.1	-162.3	-66.9	-53.3	0	0	0	117.6	S98	D96-S98 PolarHBondContact O-N 3.36Å
97	A	33.4	Very low	44.8	Very low	109 Å²	109	105.1 Å²	105.1	90%	0.901	65%	0.653	S	S	*	*	S	Bend	trans	-55.6	105.1	173.8	0	0	0	0	0	112.4
98	S	33.9	Very low	44.5	Very low	91 Å²	91	103.2 Å²	103.2	64%	0.636	65%	0.648	S	S	*	*			trans	-163.4	-6.6	155.6	53.5	0	0	0	0	116.2	D96 A100 D101	D96-S98 PolarHBondContact O-N 3.36Å; S98-A100 PolarHBondContact O-N 3.46Å; S98-D101 PolarHBondContact O-N 3.46Å
99	A	34.8	Very low	44.7	Very low	96 Å²	96	107.9 Å²	107.9	79%	0.793	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	24.9	-173.8	0	0	0	0	0	116.5
100	A	37.5	Very low	45	Very low	101 Å²	101	110.6 Å²	110.6	84%	0.835	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	2.6	169.2	0	0	0	0	0	113.1	S98	S98-A100 PolarHBondContact O-N 3.46Å
101	D	41.1	Very low	45.5	Very low	111 Å²	111	109.3 Å²	109.3	59%	0.594	66%	0.661	S	S	*	*	S	Bend	trans	-113.5	1.4	174.7	-150.7	-2.6	0	0	0	113.9	S98 L103 K108	S98-D101 PolarHBondContact O-N 3.46Å; D101-L103 VanDerWaalsContact C-N 3.32Å; D101-L103 PolarHBondContact O-N 3.48Å; D101-K108 WeakPolarHBondContact O-CE 3.43Å; D101-K108 PolarHBondContact O-NZ 3.07Å; D101-K108 IonicContact OD1-NZ 3.23Å; D101-K108 PolarHBondContact OD1-NZ 3.42Å
102	D	38	Very low	46.7	Very low	131 Å²	131	108.7 Å²	108.7	70%	0.701	64%	0.643	S	S	*	*			trans	-94.2	53.3	177.6	-67.4	-24.4	0	0	0	111.7	T104	D102-T104 PolarHBondContact O-N 3.13Å
103	L	52.6	Low	47.6	Very low	87 Å²	87	108 Å²	108	46%	0.455	63%	0.631	S	S	.	*			trans	-66.5	127.6	149	-72.5	171.5	0	0	0	105.9	D101 E107 K108	D101-L103 VanDerWaalsContact C-N 3.32Å; D101-L103 PolarHBondContact O-N 3.48Å; L103-E107 HydrophobicContact CB-CB 4Å; L103-E107 HydrophobicContact CD2-CB 3.96Å; L103-K108 HydrophobicContact CB-CD 4.41Å; L103-K108 HydrophobicContact CB-CG 3.61Å; L103-K108 HydrophobicContact CD1-CG 4.34Å; L103-K108 VanDerWaalsContact O-CE 3.32Å; L103-K108 WeakPolarHBondContact O-CE 3.29Å
104	T	66.8	Low	48.4	Very low	78 Å²	78	107.4 Å²	107.4	48%	0.479	61%	0.614	S	S	.	*			trans	-52.5	148.7	170.7	57.1	0	0	0	0	109.3	D102 E106 E107 K108	D102-T104 PolarHBondContact O-N 3.13Å; T104-E106 PolarHBondContact O-N 3.46Å; T104-E107 WeakPolarHBondContact CB-OE2 3.42Å; T104-E107 PolarHBondContact N-OE2 2.78Å; T104-E107 WeakPolarHBondContact O-CA 3.22Å; T104-E107 WeakPolarHBondContact O-CB 3.41Å; T104-E107 PolarHBondContact O-N 3.46Å; T104-E107 VanDerWaalsContact OG1-CD 3.23Å; T104-E107 WeakPolarHBondContact OG1-CG 3.4Å; T104-E107 PolarHBondContact OG1-N 2.97Å; T104-E107 PolarHBondContact OG1-OE2 3.22Å; T104-K108 PolarHBondContact O-N 3.16Å
105	E	68.6	Low	49.5	Very low	127 Å²	127	108.6 Å²	108.6	59%	0.593	60%	0.601	S	S	*	*	H	α-helix	trans	-53.9	-30.6	178.6	-78.7	-61.8	128.8	0	0	112	K108 Q109	E105-K108 PolarHBondContact O-N 3.27Å; E105-Q109 WeakPolarHBondContact O-CB 3.44Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 3.2Å
106	E	62.1	Low	50.8	Low	143 Å²	143	111.8 Å²	111.8	67%	0.668	60%	0.596	S	S	*	*	H	α-helix	trans	-64.6	-41.5	171.8	-67.1	-173.6	175.7	0	0	113.1	T104 R110	T104-E106 PolarHBondContact O-N 3.46Å; E106-R110 WeakPolarHBondContact O-CB 3.44Å; E106-R110 WeakPolarHBondContact O-CG 3.16Å; E106-R110 PolarHBondContact O-N 3.24Å
107	E	60.4	Low	51.9	Low	84 Å²	84	109.3 Å²	109.3	39%	0.393	58%	0.579	S	S	.	*	H	α-helix	trans	-69.1	-40.6	175.6	-73.1	165.7	138.4	0	0	111.7	L103 T104 Q109 R110 V111	L103-E107 HydrophobicContact CB-CB 4Å; L103-E107 HydrophobicContact CD2-CB 3.96Å; T104-E107 WeakPolarHBondContact CB-OE2 3.42Å; T104-E107 PolarHBondContact N-OE2 2.78Å; T104-E107 WeakPolarHBondContact O-CA 3.22Å; T104-E107 WeakPolarHBondContact O-CB 3.41Å; T104-E107 PolarHBondContact O-N 3.46Å; T104-E107 VanDerWaalsContact OG1-CD 3.23Å; T104-E107 WeakPolarHBondContact OG1-CG 3.4Å; T104-E107 PolarHBondContact OG1-N 2.97Å; T104-E107 PolarHBondContact OG1-OE2 3.22Å; E107-Q109 VanDerWaalsContact C-N 3.34Å; E107-Q109 PolarHBondContact O-N 2.99Å; E107-R110 PolarHBondContact O-N 3.4Å; E107-V111 VanDerWaalsContact O-CG2 3.31Å; E107-V111 WeakPolarHBondContact O-CG2 3.24Å; E107-V111 PolarHBondContact O-N 3.18Å
108	K	61.3	Low	52.4	Low	69 Å²	69	105.6 Å²	105.6	30%	0.3	55%	0.552	S	S	.	*	H	α-helix	trans	-61.1	-43.5	173.8	-67.6	-173.9	-179	178.7	0	111	D101 L103 T104 E105 V111 E112	D101-K108 WeakPolarHBondContact O-CE 3.43Å; D101-K108 PolarHBondContact O-NZ 3.07Å; D101-K108 IonicContact OD1-NZ 3.23Å; D101-K108 PolarHBondContact OD1-NZ 3.42Å; L103-K108 HydrophobicContact CB-CD 4.41Å; L103-K108 HydrophobicContact CB-CG 3.61Å; L103-K108 HydrophobicContact CD1-CG 4.34Å; L103-K108 VanDerWaalsContact O-CE 3.32Å; L103-K108 WeakPolarHBondContact O-CE 3.29Å; T104-K108 PolarHBondContact O-N 3.16Å; E105-K108 PolarHBondContact O-N 3.27Å; K108-V111 PolarHBondContact O-N 3.22Å; K108-E112 PolarHBondContact O-N 3.26Å
109	Q	65.1	Low	53.1	Low	128 Å²	128	104.2 Å²	104.2	60%	0.598	55%	0.546	S	S	*	.	H	α-helix	trans	-64.8	-41.7	175.4	-74.8	175.4	16.8	0	0	112.4	E105 E107 E112 Q113	E105-Q109 WeakPolarHBondContact O-CB 3.44Å; E105-Q109 WeakPolarHBondContact O-CG 3.46Å; E105-Q109 PolarHBondContact O-N 3.2Å; E107-Q109 VanDerWaalsContact C-N 3.34Å; E107-Q109 PolarHBondContact O-N 2.99Å; Q109-E112 PolarHBondContact O-N 2.97Å; Q109-Q113 WeakPolarHBondContact O-CB 3.29Å; Q109-Q113 PolarHBondContact O-N 3.22Å
110	R	61.1	Low	53.9	Low	184 Å²	184	102.3 Å²	102.3	69%	0.694	53%	0.53	S	S	*	.	H	α-helix	trans	-59.8	-47.9	173.8	-84.1	-179	174.4	171.9	1.8	111.4	E106 E107 E112 Q113 V114	E106-R110 WeakPolarHBondContact O-CB 3.44Å; E106-R110 WeakPolarHBondContact O-CG 3.16Å; E106-R110 PolarHBondContact O-N 3.24Å; E107-R110 PolarHBondContact O-N 3.4Å; R110-E112 PolarHBondContact O-N 3.26Å; R110-Q113 PolarHBondContact O-N 2.93Å; R110-V114 WeakPolarHBondContact O-CG2 3.17Å; R110-V114 PolarHBondContact O-N 3.15Å
111	V	53.9	Low	54.2	Low	89 Å²	89	99.4 Å²	99.4	54%	0.539	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-43.4	178.8	171.6	0	0	0	0	111.5	E107 K108 V114 R115	E107-V111 VanDerWaalsContact O-CG2 3.31Å; E107-V111 WeakPolarHBondContact O-CG2 3.24Å; E107-V111 PolarHBondContact O-N 3.18Å; K108-V111 PolarHBondContact O-N 3.22Å; V111-V114 PolarHBondContact O-N 3.18Å; V111-R115 PolarHBondContact O-N 2.86Å
112	E	60.4	Low	54.3	Low	77 Å²	77	95.8 Å²	95.8	36%	0.36	49%	0.49	S	S	.	.	H	α-helix	trans	-69.3	-35.3	178.1	-177.7	56.6	-157.9	0	0	112.4	K108 Q109 R110 R115 K116	K108-E112 PolarHBondContact O-N 3.26Å; Q109-E112 PolarHBondContact O-N 2.97Å; R110-E112 PolarHBondContact O-N 3.26Å; E112-R115 WeakPolarHBondContact O-CB 3.41Å; E112-R115 PolarHBondContact O-N 2.94Å; E112-R115 IonicContact OE1-NE 3.95Å; E112-R115 IonicContact OE2-NE 3.48Å; E112-R115 PolarHBondContact OE2-NE 3.07Å; E112-K116 WeakPolarHBondContact O-CG 3.31Å; E112-K116 PolarHBondContact O-N 3.22Å; E112-K116 WeakPolarHBondContact OE1-CE 3.34Å
113	Q	55.6	Low	54.9	Low	117 Å²	117	96.8 Å²	96.8	55%	0.547	49%	0.488	S	S	.	.	H	α-helix	trans	-64.8	-43.2	173.5	-179.4	145.7	-18.6	0	0	111.5	Q109 R110 R115 K116 E117	Q109-Q113 WeakPolarHBondContact O-CB 3.29Å; Q109-Q113 PolarHBondContact O-N 3.22Å; R110-Q113 PolarHBondContact O-N 2.93Å; Q113-R115 VanDerWaalsContact C-N 3.27Å; Q113-R115 PolarHBondContact O-N 3.35Å; Q113-K116 PolarHBondContact O-N 3.08Å; Q113-K116 VanDerWaalsContact O-N 3.13Å; Q113-E117 HydrophobicContact CG-CG 4.41Å; Q113-E117 VanDerWaalsContact CG-OE1 3.32Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.13Å; Q113-E117 PolarHBondContact NE2-OE1 3.25Å; Q113-E117 WeakPolarHBondContact O-CG 3.33Å; Q113-E117 PolarHBondContact O-N 2.78Å
114	V	47.1	Very low	54.7	Low	55 Å²	55	96.3 Å²	96.3	33%	0.333	49%	0.488	S	S	.	.	H	α-helix	trans	-59	-40	173.8	173.2	0	0	0	0	111.4	R110 V111 E117 G118 F166	R110-V114 WeakPolarHBondContact O-CG2 3.17Å; R110-V114 PolarHBondContact O-N 3.15Å; V111-V114 PolarHBondContact O-N 3.18Å; V114-E117 PolarHBondContact O-N 2.89Å; V114-G118 PolarHBondContact O-N 3.16Å; V114-F166 HydrophobicContact CB-CE1 4.49Å; V114-F166 HydrophobicContact CG1-CD1 4.44Å; V114-F166 HydrophobicContact CG1-CE1 4.47Å; V114-F166 HydrophobicContact CG2-CD1 3.99Å; V114-F166 HydrophobicContact CG2-CE1 3.24Å; V114-F166 HydrophobicContact CG2-CZ 4.06Å
115	R	51.7	Low	53.5	Low	181 Å²	181	96.3 Å²	96.3	68%	0.683	49%	0.485	S	S	*	.	H	α-helix	trans	-63.4	-41.4	176.6	-165.9	-179.8	115.6	93.2	1.4	111.9	V111 E112 Q113 A119	V111-R115 PolarHBondContact O-N 2.86Å; E112-R115 WeakPolarHBondContact O-CB 3.41Å; E112-R115 PolarHBondContact O-N 2.94Å; E112-R115 IonicContact OE1-NE 3.95Å; E112-R115 IonicContact OE2-NE 3.48Å; E112-R115 PolarHBondContact OE2-NE 3.07Å; Q113-R115 VanDerWaalsContact C-N 3.27Å; Q113-R115 PolarHBondContact O-N 3.35Å; R115-A119 WeakPolarHBondContact O-CB 3.34Å; R115-A119 PolarHBondContact O-N 2.78Å
116	K	53.9	Low	52.4	Low	136 Å²	136	94.5 Å²	94.5	59%	0.591	48%	0.477	S	S	*	.	H	α-helix	trans	-68	-43.4	176.5	-71.9	175.1	-176.7	171.7	0	112.2	E112 Q113 A119 A120	E112-K116 WeakPolarHBondContact O-CG 3.31Å; E112-K116 PolarHBondContact O-N 3.22Å; E112-K116 WeakPolarHBondContact OE1-CE 3.34Å; Q113-K116 PolarHBondContact O-N 3.08Å; Q113-K116 VanDerWaalsContact O-N 3.13Å; K116-A119 PolarHBondContact O-N 3.12Å; K116-A120 PolarHBondContact O-N 3.27Å
117	E	51.8	Low	51.7	Low	101 Å²	101	94.1 Å²	94.1	47%	0.472	48%	0.475	S	S	.	.	H	α-helix	trans	-66	-42.6	177.8	-71.4	174.8	-170.1	0	0	111.5	Q113 V114 A119 A120 L121	Q113-E117 HydrophobicContact CG-CG 4.41Å; Q113-E117 VanDerWaalsContact CG-OE1 3.32Å; Q113-E117 WeakPolarHBondContact CG-OE1 3.13Å; Q113-E117 PolarHBondContact NE2-OE1 3.25Å; Q113-E117 WeakPolarHBondContact O-CG 3.33Å; Q113-E117 PolarHBondContact O-N 2.78Å; V114-E117 PolarHBondContact O-N 2.89Å; E117-A119 PolarHBondContact O-N 2.9Å; E117-A120 PolarHBondContact O-N 3.22Å; E117-L121 WeakPolarHBondContact O-CB 3.36Å; E117-L121 PolarHBondContact O-N 3.02Å
118	G	42.2	Very low	50.8	Low	32 Å²	32	93 Å²	93	33%	0.33	48%	0.479	S	S	.	.	H	α-helix	trans	-62.2	-39.1	173.7	0	0	0	0	0	113.1	V114 L121 G122	V114-G118 PolarHBondContact O-N 3.16Å; G118-L121 PolarHBondContact O-N 3.12Å; G118-G122 PolarHBondContact O-N 3.47Å
119	A	49.5	Very low	49.8	Very low	62 Å²	62	97 Å²	97	51%	0.512	50%	0.497	S	S	.	.	H	α-helix	trans	-67.8	-38.7	174.9	0	0	0	0	0	112.6	R115 K116 E117 G122 K123	R115-A119 WeakPolarHBondContact O-CB 3.34Å; R115-A119 PolarHBondContact O-N 2.78Å; K116-A119 PolarHBondContact O-N 3.12Å; E117-A119 PolarHBondContact O-N 2.9Å; A119-G122 PolarHBondContact O-N 3.08Å; A119-K123 PolarHBondContact O-N 3.28Å
120	A	50.7	Low	48.6	Very low	55 Å²	55	96.5 Å²	96.5	46%	0.455	50%	0.499	S	S	.	.	H	α-helix	trans	-64.5	-43.7	174	0	0	0	0	0	111.4	K116 E117 G122 K123 V124	K116-A120 PolarHBondContact O-N 3.27Å; E117-A120 PolarHBondContact O-N 3.22Å; A120-G122 PolarHBondContact O-N 3.25Å; A120-K123 WeakPolarHBondContact O-CB 3.4Å; A120-K123 PolarHBondContact O-N 3.36Å; A120-V124 PolarHBondContact O-N 2.96Å; A120-V124 VanDerWaalsContact O-N 3.15Å
121	L	44	Very low	47.5	Very low	40 Å²	40	95.3 Å²	95.3	21%	0.209	50%	0.499	C	S	.	.	H	α-helix	trans	-65.7	-37.4	176.9	-170.1	70.1	0	0	0	112.2	E117 G118 K123 V124 L125 F163	E117-L121 WeakPolarHBondContact O-CB 3.36Å; E117-L121 PolarHBondContact O-N 3.02Å; G118-L121 PolarHBondContact O-N 3.12Å; L121-K123 VanDerWaalsContact C-N 3.26Å; L121-K123 PolarHBondContact O-N 2.74Å; L121-V124 PolarHBondContact O-N 2.75Å; L121-V124 VanDerWaalsContact O-N 3.15Å; L121-L125 HydrophobicContact CG-CD1 4.21Å; L121-L125 WeakPolarHBondContact O-CB 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.11Å; L121-L125 PolarHBondContact O-N 3Å; L121-F163 HydrophobicContact CD2-CB 4.22Å; L121-F163 HydrophobicContact CD2-CD2 3.39Å; L121-F163 HydrophobicContact CD2-CE2 3.93Å; L121-F163 HydrophobicContact CD2-CG 3.97Å
122	G	43.2	Very low	46.4	Very low	36 Å²	36	98.7 Å²	98.7	37%	0.371	51%	0.506	S	S	.	.	H	α-helix	trans	-57.6	-37.4	172.8	0	0	0	0	0	112.9	G118 A119 A120 E126	G118-G122 PolarHBondContact O-N 3.47Å; A119-G122 PolarHBondContact O-N 3.08Å; A120-G122 PolarHBondContact O-N 3.25Å; G122-E126 PolarHBondContact O-N 2.82Å; G122-E126 VanDerWaalsContact O-N 3.08Å
123	K	52	Low	45.3	Very low	152 Å²	152	99.6 Å²	99.6	66%	0.661	52%	0.52	S	S	*	.	H	α-helix	trans	-66.9	-45.6	172.6	-69.4	-178.2	178.3	-177.2	0	112	A119 A120 L121 L125 E126 E127	A119-K123 PolarHBondContact O-N 3.28Å; A120-K123 WeakPolarHBondContact O-CB 3.4Å; A120-K123 PolarHBondContact O-N 3.36Å; L121-K123 VanDerWaalsContact C-N 3.26Å; L121-K123 PolarHBondContact O-N 2.74Å; K123-L125 VanDerWaalsContact C-N 3.32Å; K123-L125 PolarHBondContact O-N 2.95Å; K123-E126 PolarHBondContact O-N 3.41Å; K123-E127 WeakPolarHBondContact O-CG 3.4Å; K123-E127 PolarHBondContact O-N 3.05Å
124	V	47.1	Very low	44.1	Very low	77 Å²	77	97.9 Å²	97.9	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-61.1	-40.3	177.7	176.3	0	0	0	0	111.5	A120 L121 E127 A128	A120-V124 PolarHBondContact O-N 2.96Å; A120-V124 VanDerWaalsContact O-N 3.15Å; L121-V124 PolarHBondContact O-N 2.75Å; L121-V124 VanDerWaalsContact O-N 3.15Å; V124-E127 PolarHBondContact O-N 2.93Å; V124-A128 WeakPolarHBondContact O-CB 3.48Å; V124-A128 PolarHBondContact O-N 2.87Å
125	L	42.3	Very low	43.4	Very low	78 Å²	78	102.6 Å²	102.6	41%	0.408	54%	0.544	S	S	.	.	H	α-helix	trans	-68.7	-36.7	177.2	-75.9	168.2	0	0	0	112.6	L121 K123 A128 K129	L121-L125 HydrophobicContact CG-CD1 4.21Å; L121-L125 WeakPolarHBondContact O-CB 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.11Å; L121-L125 PolarHBondContact O-N 3Å; K123-L125 VanDerWaalsContact C-N 3.32Å; K123-L125 PolarHBondContact O-N 2.95Å; L125-A128 PolarHBondContact O-N 2.81Å; L125-K129 WeakPolarHBondContact O-CG 3.17Å; L125-K129 PolarHBondContact O-N 3.02Å
126	E	46	Very low	42.3	Very low	89 Å²	89	102.4 Å²	102.4	42%	0.416	55%	0.551	S	S	.	*	H	α-helix	trans	-67.1	-39.7	171.7	-94.2	-54.6	139	0	0	112.5	G122 K123 A128 K129 N130	G122-E126 PolarHBondContact O-N 2.82Å; G122-E126 VanDerWaalsContact O-N 3.08Å; K123-E126 PolarHBondContact O-N 3.41Å; E126-A128 VanDerWaalsContact C-N 3.32Å; E126-A128 PolarHBondContact O-N 3.47Å; E126-K129 PolarHBondContact O-N 2.93Å; E126-K129 WeakPolarHBondContact OE1-CD 3.06Å; E126-K129 IonicContact OE1-NZ 2.78Å; E126-K129 PolarHBondContact OE1-NZ 3.17Å; E126-N130 PolarHBondContact O-N 3.12Å; E126-N130 PolarHBondContact O-ND2 3.23Å
127	E	47.2	Very low	41	Very low	134 Å²	134	102.3 Å²	102.3	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-62.1	-40.7	172.5	-73	173.8	-174.9	0	0	111.5	K123 V124 N130 F131	K123-E127 WeakPolarHBondContact O-CG 3.4Å; K123-E127 PolarHBondContact O-N 3.05Å; V124-E127 PolarHBondContact O-N 2.93Å; E127-N130 PolarHBondContact O-N 2.69Å; E127-F131 PolarHBondContact O-N 2.82Å
128	A	40.6	Very low	39.9	Very low	60 Å²	60	102.6 Å²	102.6	50%	0.496	57%	0.566	S	S	.	*	H	α-helix	trans	-67	-36.2	177.2	0	0	0	0	0	113.2	V124 L125 E126 N130 F131	V124-A128 WeakPolarHBondContact O-CB 3.48Å; V124-A128 PolarHBondContact O-N 2.87Å; L125-A128 PolarHBondContact O-N 2.81Å; E126-A128 VanDerWaalsContact C-N 3.32Å; E126-A128 PolarHBondContact O-N 3.47Å; A128-N130 PolarHBondContact O-N 2.87Å; A128-F131 VanDerWaalsContact O-CB 3.29Å; A128-F131 WeakPolarHBondContact O-CB 3.36Å; A128-F131 PolarHBondContact O-N 2.98Å; A128-F131 VanDerWaalsContact O-N 3.17Å
129	K	41.4	Very low	39.3	Very low	153 Å²	153	110.6 Å²	110.6	67%	0.665	59%	0.592	S	S	*	*	H	α-helix	trans	-62.7	-33.4	172.7	-77.2	179.4	-167.4	167.2	0	112.3	L125 E126 F131	L125-K129 WeakPolarHBondContact O-CG 3.17Å; L125-K129 PolarHBondContact O-N 3.02Å; E126-K129 PolarHBondContact O-N 2.93Å; E126-K129 WeakPolarHBondContact OE1-CD 3.06Å; E126-K129 IonicContact OE1-NZ 2.78Å; E126-K129 PolarHBondContact OE1-NZ 3.17Å; K129-F131 VanDerWaalsContact C-N 3.29Å
130	N	39.6	Very low	38.2	Very low	119 Å²	119	116.2 Å²	116.2	64%	0.636	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-1.7	178	-70	-36.4	0	0	0	113.4	E126 E127 A128 K132	E126-N130 PolarHBondContact O-N 3.12Å; E126-N130 PolarHBondContact O-ND2 3.23Å; E127-N130 PolarHBondContact O-N 2.69Å; A128-N130 PolarHBondContact O-N 2.87Å; N130-K132 VanDerWaalsContact C-N 3.35Å; N130-K132 PolarHBondContact O-N 2.98Å
131	F	36.4	Very low	37.3	Very low	158 Å²	158	121.4 Å²	121.4	69%	0.693	62%	0.62	S	S	*	*			trans	-73.3	86.4	177.6	-154	-93.8	0	0	0	110.9	E127 A128 K129 C133	E127-F131 PolarHBondContact O-N 2.82Å; A128-F131 VanDerWaalsContact O-CB 3.29Å; A128-F131 WeakPolarHBondContact O-CB 3.36Å; A128-F131 PolarHBondContact O-N 2.98Å; A128-F131 VanDerWaalsContact O-N 3.17Å; K129-F131 VanDerWaalsContact C-N 3.29Å; F131-C133 PolarHBondContact O-N 3.29Å
132	K	31.2	Very low	36.7	Very low	161 Å²	161	128.5 Å²	128.5	70%	0.7	65%	0.652	S	S	*	*			trans	-71.1	88.9	175.3	-68.7	-176.7	179.3	-180	0	110.5	N130 A134	N130-K132 VanDerWaalsContact C-N 3.35Å; N130-K132 PolarHBondContact O-N 2.98Å; K132-A134 PolarHBondContact O-N 2.78Å
133	C	36.9	Very low	36.2	Very low	95 Å²	95	131.7 Å²	131.7	64%	0.642	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-62.6	-8.6	171.4	-95.6	0	0	0	0	114.5	F131	F131-C133 PolarHBondContact O-N 3.29Å
134	A	32.1	Very low	35.2	Very low	82 Å²	82	132.1 Å²	132.1	68%	0.678	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-82.1	-18.6	-170.7	0	0	0	0	0	115	K132	K132-A134 PolarHBondContact O-N 2.78Å
135	E	31.9	Very low	34.4	Very low	154 Å²	154	137.1 Å²	137.1	72%	0.72	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-96.2	1.6	-172.9	-81.3	179.2	-174	0	0	115.1
136	H	28.4	Very low	34	Very low	177 Å²	177	139.1 Å²	139.1	82%	0.819	71%	0.708	S	S	*	*			trans	-126.5	40.8	178.6	-95.7	66.9	0	0	0	113.3	P138	H136-P138 VanDerWaalsContact C-CD 3.41Å; H136-P138 WeakPolarHBondContact O-CD 3.38Å
137	I	26	Very low	33.6	Very low	133 Å²	133	141 Å²	141	68%	0.682	72%	0.721	S	S	*	*			trans	-97.7	87.1	169.4	-52.3	175.4	0	0	0	108.2	K139	I137-K139 PolarHBondContact O-N 3.29Å
138	P	28.6	Very low	33	Very low	108 Å²	108	137.1 Å²	137.1	70%	0.701	72%	0.717	S	S	*	*			trans	-63.9	134.6	168.2	26.8	-31.1	0	0	0	108.9	H136	H136-P138 VanDerWaalsContact C-CD 3.41Å; H136-P138 WeakPolarHBondContact O-CD 3.38Å
139	K	29.2	Very low	32.9	Very low	200 Å²	200	139.8 Å²	139.8	87%	0.87	72%	0.721	S	S	*	*	S	Bend	trans	-66.5	141	-178.3	-66.8	175.4	177.8	174.9	0	110.3	I137	I137-K139 PolarHBondContact O-N 3.29Å
140	K	28	Very low	33.1	Very low	179 Å²	179	137 Å²	137	78%	0.778	71%	0.71	S	S	*	*	S	Bend	trans	86.9	121.8	170.1	-76.9	-174.9	163.5	-169	0	118
141	E	31.6	Very low	33.2	Very low	165 Å²	165	134.9 Å²	134.9	77%	0.771	70%	0.704	S	S	*	*			trans	51.7	99.5	140.3	-67.5	168.1	158.7	0	0	117.2
142	E	31.3	Very low	33.7	Very low	189 Å²	189	132.4 Å²	132.4	88%	0.883	70%	0.697	S	S	*	*				177.5	135.5	123.9	-97.5	170.9	-178.3	0	0	111.9	L144	E142-L144 PolarHBondContact O-N 2.74Å
143	A	31.9	Very low	34.6	Very low	102 Å²	102	129 Å²	129	84%	0.843	69%	0.686	S	S	*	*			trans	-78	39.7	-168	0	0	0	0	0	115.2
144	L	30.6	Very low	34.8	Very low	162 Å²	162	131.8 Å²	131.8	85%	0.848	68%	0.683	S	S	*	*			trans	-115.1	21.9	-173.3	-145.7	82.4	0	0	0	116.1	E142	E142-L144 PolarHBondContact O-N 2.74Å
145	K	31.8	Very low	35.3	Very low	181 Å²	181	133 Å²	133	79%	0.787	68%	0.678	S	S	*	*			trans	-114.8	8.6	-179.2	-85.6	-173.8	178.2	178	0	116.9	D147	K145-D147 VanDerWaalsContact C-N 3.33Å; K145-D147 PolarHBondContact O-N 3.31Å
146	I	33.8	Very low	36.1	Very low	121 Å²	121	130 Å²	130	62%	0.621	67%	0.665	S	S	*	*	H	α-helix	trans	-68.5	-33.5	179.6	-63	177	0	0	0	111.4	H150	I146-H150 PolarHBondContact O-CD2 2.84Å; I146-H150 PolarHBondContact O-N 2.95Å
147	D	36.4	Very low	36.7	Very low	129 Å²	129	121.8 Å²	121.8	69%	0.69	63%	0.629	S	S	*	*	H	α-helix	trans	-73.9	-36.3	-172.5	-135.2	8.1	0	0	0	113.5	K145 M149 H150 S151	K145-D147 VanDerWaalsContact C-N 3.33Å; K145-D147 PolarHBondContact O-N 3.31Å; D147-M149 PolarHBondContact O-N 3.48Å; D147-H150 PolarHBondContact O-N 2.82Å; D147-S151 PolarHBondContact O-N 2.98Å
148	G	35.7	Very low	37.4	Very low	52 Å²	52	119.6 Å²	119.6	54%	0.536	62%	0.622	S	S	.	*	H	α-helix	trans	-67.6	-35.3	177.8	0	0	0	0	0	113.5	S151 L152	G148-S151 PolarHBondContact O-N 2.95Å; G148-L152 PolarHBondContact O-N 3.39Å
149	M	39	Very low	38.1	Very low	116 Å²	116	118.7 Å²	118.7	57%	0.571	61%	0.61	S	S	*	*	H	α-helix	trans	-68.4	-38.9	179.3	-161.1	175.8	74.4	0	0	111.4	D147 S151 L152 I153	D147-M149 PolarHBondContact O-N 3.48Å; M149-S151 VanDerWaalsContact C-N 3.31Å; M149-S151 PolarHBondContact O-N 3.15Å; M149-L152 PolarHBondContact O-N 2.81Å; M149-I153 HydrophobicContact CG-CD1 4.22Å; M149-I153 WeakPolarHBondContact O-CD1 3.46Å; M149-I153 VanDerWaalsContact O-CG1 3.27Å; M149-I153 WeakPolarHBondContact O-CG1 3.44Å; M149-I153 PolarHBondContact O-N 3.11Å
150	H	44	Very low	38.6	Very low	95 Å²	95	111.8 Å²	111.8	44%	0.44	58%	0.583	S	S	.	*	H	α-helix	trans	-66.7	-30.6	172.4	-82.3	-80	0	0	0	112.7	I146 D147 R154	I146-H150 PolarHBondContact O-CD2 2.84Å; I146-H150 PolarHBondContact O-N 2.95Å; D147-H150 PolarHBondContact O-N 2.82Å; H150-R154 VanDerWaalsContact O-CB 3.32Å; H150-R154 WeakPolarHBondContact O-CB 3.38Å; H150-R154 WeakPolarHBondContact O-CG 3.21Å; H150-R154 PolarHBondContact O-N 2.75Å; H150-R154 VanDerWaalsContact O-N 3.16Å; H150-R154 PolarHBondContact O-NE 2.83Å
151	S	42.9	Very low	39	Very low	73 Å²	73	104.5 Å²	104.5	51%	0.51	56%	0.556	S	S	.	*	H	α-helix	trans	-71.8	-38.9	175.7	-157.9	0	0	0	0	112.4	D147 G148 M149 R154 L155	D147-S151 PolarHBondContact O-N 2.98Å; G148-S151 PolarHBondContact O-N 2.95Å; M149-S151 VanDerWaalsContact C-N 3.31Å; M149-S151 PolarHBondContact O-N 3.15Å; S151-R154 PolarHBondContact O-N 3.2Å; S151-L155 PolarHBondContact O-N 3.36Å
152	L	47.3	Very low	39.4	Very low	106 Å²	106	100.8 Å²	100.8	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-69.7	-43	178.1	-167.6	73.7	0	0	0	112.1	G148 M149 R154 L155 I156	G148-L152 PolarHBondContact O-N 3.39Å; M149-L152 PolarHBondContact O-N 2.81Å; L152-R154 VanDerWaalsContact C-N 3.28Å; L152-R154 PolarHBondContact O-N 2.9Å; L152-L155 PolarHBondContact O-N 2.82Å; L152-I156 HydrophobicContact CG-CD1 4.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 3.49Å
153	I	48.3	Very low	39.8	Very low	90 Å²	90	96.3 Å²	96.3	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-61.1	-39.5	174.4	-67.5	167	0	0	0	110.6	M149 G157	M149-I153 HydrophobicContact CG-CD1 4.22Å; M149-I153 WeakPolarHBondContact O-CD1 3.46Å; M149-I153 VanDerWaalsContact O-CG1 3.27Å; M149-I153 WeakPolarHBondContact O-CG1 3.44Å; M149-I153 PolarHBondContact O-N 3.11Å; I153-G157 PolarHBondContact O-N 3.5Å
154	R	41.5	Very low	39.9	Very low	154 Å²	154	95.8 Å²	95.8	58%	0.581	50%	0.504	S	S	*	.	H	α-helix	trans	-62.6	-46.1	174.8	-82.5	-178.6	-87	-156.5	0.4	112.1	H150 S151 L152 G157 V158	H150-R154 VanDerWaalsContact O-CB 3.32Å; H150-R154 WeakPolarHBondContact O-CB 3.38Å; H150-R154 WeakPolarHBondContact O-CG 3.21Å; H150-R154 PolarHBondContact O-N 2.75Å; H150-R154 VanDerWaalsContact O-N 3.16Å; H150-R154 PolarHBondContact O-NE 2.83Å; S151-R154 PolarHBondContact O-N 3.2Å; L152-R154 VanDerWaalsContact C-N 3.28Å; L152-R154 PolarHBondContact O-N 2.9Å; R154-G157 PolarHBondContact O-N 3.43Å; R154-V158 WeakPolarHBondContact O-CG2 3.39Å; R154-V158 PolarHBondContact O-N 2.78Å
155	L	44.1	Very low	40.1	Very low	108 Å²	108	93.4 Å²	93.4	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-63.6	-45.1	-179.4	-170.3	73.2	0	0	0	112.1	S151 L152 G157 V158 L159	S151-L155 PolarHBondContact O-N 3.36Å; L152-L155 PolarHBondContact O-N 2.82Å; L155-G157 VanDerWaalsContact C-N 3.3Å; L155-G157 PolarHBondContact O-N 2.96Å; L155-V158 PolarHBondContact O-N 2.75Å; L155-L159 HydrophobicContact CG-CD1 4.37Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 2.88Å; L155-L159 VanDerWaalsContact O-N 3.08Å
156	I	48.1	Very low	40.4	Very low	89 Å²	89	90.7 Å²	90.7	46%	0.456	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-40.1	175.9	-65.6	168.5	0	0	0	110.5	L152 L159 L160	L152-I156 HydrophobicContact CG-CD1 4.24Å; L152-I156 WeakPolarHBondContact O-CG1 3.47Å; L152-I156 PolarHBondContact O-N 3.49Å; I156-L159 PolarHBondContact O-N 2.89Å; I156-L160 HydrophobicContact CG2-CD1 3.92Å; I156-L160 WeakPolarHBondContact O-CG 3.31Å; I156-L160 PolarHBondContact O-N 3.17Å
157	G	40.1	Very low	40.3	Very low	6 Å²	6	89.5 Å²	89.5	6%	0.062	48%	0.479	C	S	.	.	H	α-helix	trans	-61.6	-43.3	176.1	0	0	0	0	0	113.4	I153 R154 L155 L160 A161	I153-G157 PolarHBondContact O-N 3.5Å; R154-G157 PolarHBondContact O-N 3.43Å; L155-G157 VanDerWaalsContact C-N 3.3Å; L155-G157 PolarHBondContact O-N 2.96Å; G157-L160 PolarHBondContact O-N 3.44Å; G157-A161 WeakPolarHBondContact O-CB 3.16Å; G157-A161 PolarHBondContact O-N 3.19Å
158	V	42.2	Very low	40	Very low	87 Å²	87	90 Å²	90	53%	0.527	48%	0.477	S	S	.	.	H	α-helix	trans	-65.9	-44.3	176.9	173.5	0	0	0	0	111.3	R154 L155 L160 A161 V162	R154-V158 WeakPolarHBondContact O-CG2 3.39Å; R154-V158 PolarHBondContact O-N 2.78Å; L155-V158 PolarHBondContact O-N 2.75Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3Å; V158-A161 PolarHBondContact O-N 3.38Å; V158-V162 WeakPolarHBondContact O-CG2 3.48Å; V158-V162 PolarHBondContact O-N 2.95Å
159	L	43.1	Very low	39.9	Very low	88 Å²	88	92.8 Å²	92.8	46%	0.461	49%	0.486	S	S	.	.	H	α-helix	trans	-62.7	-38.4	179.1	-72.5	168.2	0	0	0	112.3	L155 I156 F163	L155-L159 HydrophobicContact CG-CD1 4.37Å; L155-L159 WeakPolarHBondContact O-CG 3.37Å; L155-L159 PolarHBondContact O-N 2.88Å; L155-L159 VanDerWaalsContact O-N 3.08Å; I156-L159 PolarHBondContact O-N 2.89Å; L159-F163 PolarHBondContact O-N 2.92Å
160	L	40	Very low	39.5	Very low	56 Å²	56	92 Å²	92	29%	0.293	49%	0.491	S	S	.	.	H	α-helix	trans	-72.2	-35.6	174.2	-75.5	166.5	0	0	0	112.8	I156 G157 V158 F163 I164	I156-L160 HydrophobicContact CG2-CD1 3.92Å; I156-L160 WeakPolarHBondContact O-CG 3.31Å; I156-L160 PolarHBondContact O-N 3.17Å; G157-L160 PolarHBondContact O-N 3.44Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3Å; L160-F163 WeakPolarHBondContact O-CB 3.4Å; L160-F163 PolarHBondContact O-N 2.8Å; L160-I164 WeakPolarHBondContact O-CG1 3.16Å; L160-I164 PolarHBondContact O-N 2.97Å
161	A	34.5	Very low	38.8	Very low	25 Å²	25	98.6 Å²	98.6	21%	0.207	51%	0.513	C	S	.	.	H	α-helix	trans	-67	-37.8	177.1	0	0	0	0	0	112.4	G157 V158 F163 N165 I345	G157-A161 WeakPolarHBondContact O-CB 3.16Å; G157-A161 PolarHBondContact O-N 3.19Å; V158-A161 PolarHBondContact O-N 3.38Å; A161-F163 VanDerWaalsContact C-N 3.34Å; A161-N165 WeakPolarHBondContact O-CB 3.35Å; A161-N165 PolarHBondContact O-N 2.86Å; A161-N165 PolarHBondContact O-ND2 2.83Å; A161-I345 HydrophobicContact CB-CG2 4.29Å
162	V	40.2	Very low	38.3	Very low	88 Å²	88	102.5 Å²	102.5	53%	0.533	52%	0.521	S	S	.	.	H	α-helix	trans	-62.8	-43.8	170.5	174.5	0	0	0	0	109.8	V158 I164 F166	V158-V162 WeakPolarHBondContact O-CG2 3.48Å; V158-V162 PolarHBondContact O-N 2.95Å; V162-I164 PolarHBondContact O-N 3.19Å; V162-F166 VanDerWaalsContact O-CB 3.23Å; V162-F166 WeakPolarHBondContact O-CB 3.48Å; V162-F166 PolarHBondContact O-N 2.73Å
163	F	40.1	Very low	37.4	Very low	94 Å²	94	100.5 Å²	100.5	41%	0.412	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-40.4	178.1	-173.5	-101.5	0	0	0	113.6	L121 L159 L160 A161 V167	L121-F163 HydrophobicContact CD2-CB 4.22Å; L121-F163 HydrophobicContact CD2-CD2 3.39Å; L121-F163 HydrophobicContact CD2-CE2 3.93Å; L121-F163 HydrophobicContact CD2-CG 3.97Å; L159-F163 PolarHBondContact O-N 2.92Å; L160-F163 WeakPolarHBondContact O-CB 3.4Å; L160-F163 PolarHBondContact O-N 2.8Å; A161-F163 VanDerWaalsContact C-N 3.34Å; F163-V167 WeakPolarHBondContact O-CG2 3.46Å; F163-V167 PolarHBondContact O-N 2.86Å
164	I	35.2	Very low	36.8	Very low	92 Å²	92	101.5 Å²	101.5	47%	0.472	51%	0.514	S	S	.	.	H	α-helix	trans	-73.8	-45	179.9	-66.1	170.2	0	0	0	111.5	L160 V162 F166 V167	L160-I164 WeakPolarHBondContact O-CG1 3.16Å; L160-I164 PolarHBondContact O-N 2.97Å; V162-I164 PolarHBondContact O-N 3.19Å; I164-F166 PolarHBondContact O-N 2.86Å; I164-V167 PolarHBondContact O-N 2.78Å
165	N	33.2	Very low	36	Very low	111 Å²	111	102 Å²	102	59%	0.594	52%	0.516	S	S	*	.	H	α-helix	trans	-66.1	-24.4	177.6	-76	-69.6	0	0	0	112.7	A161	A161-N165 WeakPolarHBondContact O-CB 3.35Å; A161-N165 PolarHBondContact O-N 2.86Å; A161-N165 PolarHBondContact O-ND2 2.83Å
166	F	38.3	Very low	35.6	Very low	125 Å²	125	98.5 Å²	98.5	55%	0.548	50%	0.496	S	S	.	.	H	α-helix	trans	-83.7	-18.9	177.6	-145	-80	0	0	0	113.3	V114 V162 I164	V114-F166 HydrophobicContact CB-CE1 4.49Å; V114-F166 HydrophobicContact CG1-CD1 4.44Å; V114-F166 HydrophobicContact CG1-CE1 4.47Å; V114-F166 HydrophobicContact CG2-CD1 3.99Å; V114-F166 HydrophobicContact CG2-CE1 3.24Å; V114-F166 HydrophobicContact CG2-CZ 4.06Å; V162-F166 VanDerWaalsContact O-CB 3.23Å; V162-F166 WeakPolarHBondContact O-CB 3.48Å; V162-F166 PolarHBondContact O-N 2.73Å; I164-F166 PolarHBondContact O-N 2.86Å
167	V	33	Very low	34.8	Very low	96 Å²	96	95.5 Å²	95.5	58%	0.582	48%	0.483	S	S	*	.	H	α-helix	trans	-94.1	-4.2	-177.3	173	0	0	0	0	113.3	F163 I164	F163-V167 WeakPolarHBondContact O-CG2 3.46Å; F163-V167 PolarHBondContact O-N 2.86Å; I164-V167 PolarHBondContact O-N 2.78Å
168	E	30.2	Very low	34.4	Very low	138 Å²	138	98.9 Å²	98.9	65%	0.645	50%	0.497	S	S	*	.			trans	-88.9	105.4	165.1	-82	-171.2	147	0	0	111
169	P	32.1	Very low	33.9	Very low	111 Å²	111	101.3 Å²	101.3	72%	0.721	50%	0.503	S	S	*	.				-125.8	106.1	108.1	32.8	-24.8	0	0	0	110	R171	P169-R171 PolarHBondContact O-N 3.24Å
170	S	31.3	Very low	33.6	Very low	99 Å²	99	100.6 Å²	100.6	69%	0.692	50%	0.499	S	S	*	.			trans	-65	76.4	172	-58	0	0	0	0	111.2
171	R	29.1	Very low	33.4	Very low	235 Å²	235	101.3 Å²	101.3	89%	0.887	50%	0.502	S	S	*	.			trans	-143.9	57.1	167	-68.3	-166.7	-179.4	-175.7	1.8	111.3	P169	P169-R171 PolarHBondContact O-N 3.24Å
172	F	33.4	Very low	33.2	Very low	155 Å²	155	107.5 Å²	107.5	68%	0.68	52%	0.52	S	S	*	.			trans	-88.5	121.7	173.3	-133.7	-97.4	0	0	0	110.3	F174	F172-F174 HydrophobicContact CD1-CD2 4.35Å; F172-F174 HydrophobicContact CE1-CD2 4.46Å; F172-F174 HydrophobicContact CE1-CE2 4.48Å
173	T	27	Very low	32.8	Very low	64 Å²	64	106.7 Å²	106.7	39%	0.393	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.9	174	56.6	0	0	0	0	109.9	L88 R200	L88-T173 HydrophobicContact CD1-CG2 3.96Å; T173-R200 HydrophobicContact CG2-CG 4.4Å
174	F	35.8	Very low	32.4	Very low	111 Å²	111	105 Å²	105	49%	0.487	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.7	-179.3	-133.1	-100.2	0	0	0	110.6	F172 F176 R200 Y201	F172-F174 HydrophobicContact CD1-CD2 4.35Å; F172-F174 HydrophobicContact CE1-CD2 4.46Å; F172-F174 HydrophobicContact CE1-CE2 4.48Å; F174-F176 HydrophobicContact CB-CD2 4.32Å; F174-F176 HydrophobicContact CB-CE2 3.98Å; F174-F176 HydrophobicContact CD1-CD2 4.35Å; F174-F176 AromaticContact CD1-CE2 3.89Å; F174-F176 HydrophobicContact CD1-CE2 3.89Å; F174-F176 AromaticContact CD1-CZ 3.98Å; F174-F176 HydrophobicContact CD1-CZ 3.98Å; F174-F176 HydrophobicContact CG-CE2 4.28Å; F174-R200 WeakPolarHBondContact O-CA 3.34Å; F174-Y201 PolarHBondContact N-O 3.24Å; F174-Y201 PolarHBondContact O-N 2.84Å
175	R	24.4	Very low	32	Very low	165 Å²	165	105.9 Å²	105.9	62%	0.623	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	130	168.5	-69.8	-175.7	-166.7	160.2	4.5	108.5	D198	R175-D198 WeakPolarHBondContact CD-OD2 3.17Å
176	F	36.2	Very low	31.8	Very low	33 Å²	33	105.2 Å²	105.2	15%	0.145	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144	170.2	-79.9	-78.7	0	0	0	110	F174 D180 F199 Y201	F174-F176 HydrophobicContact CB-CD2 4.32Å; F174-F176 HydrophobicContact CB-CE2 3.98Å; F174-F176 HydrophobicContact CD1-CD2 4.35Å; F174-F176 AromaticContact CD1-CE2 3.89Å; F174-F176 HydrophobicContact CD1-CE2 3.89Å; F174-F176 AromaticContact CD1-CZ 3.98Å; F174-F176 HydrophobicContact CD1-CZ 3.98Å; F174-F176 HydrophobicContact CG-CE2 4.28Å; F176-D180 HydrophobicContact CD1-CB 3.94Å; F176-F199 PolarHBondContact N-O 2.74Å; F176-Y201 HydrophobicContact CB-CD2 3.85Å; F176-Y201 HydrophobicContact CB-CE2 3.75Å; F176-Y201 AromaticContact CD2-CD2 3.89Å; F176-Y201 HydrophobicContact CD2-CD2 3.89Å; F176-Y201 HydrophobicContact CD2-CG 4.4Å; F176-Y201 HydrophobicContact CG-CD2 4.35Å
177	S	30.4	Very low	31.3	Very low	26 Å²	26	106.8 Å²	106.8	18%	0.182	55%	0.549	C	S	.	.			trans	-83.4	152	163.9	77	0	0	0	0	110.1	H179 D180	S177-H179 PolarHBondContact O-N 3.46Å; S177-D180 PolarHBondContact N-OD2 2.66Å; S177-D180 PolarHBondContact O-N 3.02Å; S177-D180 VanDerWaalsContact O-N 3.15Å; S177-D180 VanDerWaalsContact OG-CG 3.31Å; S177-D180 PolarHBondContact OG-N 2.79Å; S177-D180 PolarHBondContact OG-OD2 2.73Å
178	E	33	Very low	31	Very low	78 Å²	78	106.1 Å²	106.1	36%	0.364	55%	0.549	S	S	.	.	H	α-helix	trans	-61.8	-23.5	177.9	-161.1	169.3	-166.4	0	0	112.3	M181	E178-M181 PolarHBondContact O-N 3.32Å
179	H	31.8	Very low	30.9	Very low	138 Å²	138	108.2 Å²	108.2	64%	0.639	56%	0.559	S	S	*	*	H	α-helix	trans	-65.6	-39.3	175.1	-172.5	-88.2	0	0	0	112.6	S177 M181 R182 S183	S177-H179 PolarHBondContact O-N 3.46Å; H179-M181 PolarHBondContact O-N 3.16Å; H179-R182 PolarHBondContact O-N 2.99Å; H179-S183 PolarHBondContact O-N 3.15Å
180	D	35.9	Very low	30.8	Very low	73 Å²	73	110.4 Å²	110.4	39%	0.39	56%	0.564	S	S	.	*	H	α-helix	trans	-70.2	-17.1	178.2	-58.9	-47.9	0	0	0	113.2	F176 S177	F176-D180 HydrophobicContact CD1-CB 3.94Å; S177-D180 PolarHBondContact N-OD2 2.66Å; S177-D180 PolarHBondContact O-N 3.02Å; S177-D180 VanDerWaalsContact O-N 3.15Å; S177-D180 VanDerWaalsContact OG-CG 3.31Å; S177-D180 PolarHBondContact OG-N 2.79Å; S177-D180 PolarHBondContact OG-OD2 2.73Å
181	M	36.9	Very low	30.6	Very low	71 Å²	71	114.8 Å²	114.8	35%	0.35	57%	0.573	S	S	.	*	H	α-helix	trans	-84.4	-27.7	176.8	-158	172.4	70.4	0	0	111.9	E178 H179	E178-M181 PolarHBondContact O-N 3.32Å; H179-M181 PolarHBondContact O-N 3.16Å
182	R	30.5	Very low	30.6	Very low	155 Å²	155	110.8 Å²	110.8	59%	0.585	57%	0.57	S	S	*	*	H	α-helix	trans	-91.6	-27.2	-178.2	-69.1	-173.9	178.4	-164.4	2.2	113.8	H179 A184 V185	H179-R182 PolarHBondContact O-N 2.99Å; R182-A184 PolarHBondContact O-N 3.33Å; R182-V185 PolarHBondContact O-N 3.22Å
183	S	30.2	Very low	30.5	Very low	70 Å²	70	111 Å²	111	49%	0.49	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.2	0.5	-178.3	61.1	0	0	0	0	115.8	H179	H179-S183 PolarHBondContact O-N 3.15Å
184	A	32.6	Very low	30.8	Very low	60 Å²	60	113 Å²	113	50%	0.496	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.3	-3.1	170	0	0	0	0	0	113.5	I60 R182	I60-A184 HydrophobicContact CD1-CB 3.35Å; I60-A184 HydrophobicContact CG1-CB 3.86Å; R182-A184 PolarHBondContact O-N 3.33Å
185	V	27.1	Very low	30.8	Very low	109 Å²	109	112.7 Å²	112.7	66%	0.661	61%	0.606	S	S	*	*	S	Bend	trans	-108.3	120.7	173	-177	0	0	0	0	107.7	R182	R182-V185 PolarHBondContact O-N 3.22Å
186	S	29.3	Very low	31.6	Very low	98 Å²	98	108.5 Å²	108.5	69%	0.685	60%	0.602	S	S	*	*			trans	-8	119.6	178.4	-170.8	0	0	0	0	116.8	S188	S186-S188 PolarHBondContact O-N 3.27Å
187	D	27.2	Very low	31.7	Very low	157 Å²	157	116 Å²	116	84%	0.84	63%	0.629	S	S	*	*	S	Bend	trans	-62.1	53.4	-178.8	-70.8	-34.6	0	0	0	115.5
188	S	26.9	Very low	32.3	Very low	83 Å²	83	119.4 Å²	119.4	58%	0.58	65%	0.645	S	S	*	*			trans	-131.9	107.7	170.5	55.7	0	0	0	0	109.7	S186	S186-S188 PolarHBondContact O-N 3.27Å
189	E	27.7	Very low	33.3	Very low	182 Å²	182	119.1 Å²	119.1	85%	0.85	64%	0.643	S	S	*	*			trans	80.2	108.5	168.2	-50	-176.1	173.5	0	0	115.1
190	L	29.6	Very low	34.9	Very low	156 Å²	156	117.2 Å²	117.2	82%	0.817	63%	0.63	S	S	*	*				179.3	130.9	110.4	-87	168.3	0	0	0	111
191	E	28.6	Very low	36.4	Very low	191 Å²	191	114.2 Å²	114.2	89%	0.893	61%	0.613	S	S	*	*			trans	-68.8	156.7	178.2	-65.3	176.1	150.8	0	0	113.4
192	D	29	Very low	38.1	Very low	152 Å²	152	117.1 Å²	117.1	81%	0.813	62%	0.621	S	S	*	*			trans	-46.2	133.4	177.7	-73.2	-48.5	0	0	0	115.6
193	N	31	Very low	40.1	Very low	160 Å²	160	116.8 Å²	116.8	86%	0.856	62%	0.619	S	S	*	*				177.4	122.6	129.8	-99.2	-38.9	0	0	0	112
194	S	33.6	Very low	42.4	Very low	104 Å²	104	115 Å²	115	73%	0.727	61%	0.607	S	S	*	*			trans	138.9	141.8	141.3	70.2	0	0	0	0	113.7	S196	S194-S196 PolarHBondContact O-N 3.05Å; S194-S196 VanDerWaalsContact O-N 3.07Å
195	S	35.8	Very low	44.9	Very low	105 Å²	105	114.3 Å²	114.3	73%	0.734	60%	0.596	S	S	*	*			trans	-44.6	104.2	-174.6	49.8	0	0	0	0	114.2	R197	S195-R197 PolarHBondContact O-N 3.34Å
196	S	39.6	Very low	47.7	Very low	78 Å²	78	114.1 Å²	114.1	55%	0.545	59%	0.588	S	S	.	*			trans	-60.5	102.2	170.7	-78.4	0	0	0	0	110.3	S194 D198	S194-S196 PolarHBondContact O-N 3.05Å; S194-S196 VanDerWaalsContact O-N 3.07Å; S196-D198 PolarHBondContact O-N 3.39Å
197	R	40	Very low	50.6	Low	190 Å²	190	110.2 Å²	110.2	72%	0.717	56%	0.559	S	S	*	*			trans	-73.5	119.6	161.2	-71.4	-178.3	-179.5	178.3	0.7	106.8	S195 F199	S195-R197 PolarHBondContact O-N 3.34Å; R197-F199 HydrophobicContact CB-CD2 4.46Å; R197-F199 HydrophobicContact CB-CE2 3.89Å; R197-F199 HydrophobicContact CB-CZ 3.93Å; R197-F199 WeakPolarHBondContact O-CD2 3.31Å; R197-F199 WeakPolarHBondContact O-CE2 3.48Å; R197-F199 PolarHBondContact O-N 2.93Å
198	D	42.7	Very low	53.7	Low	97 Å²	97	105 Å²	105	52%	0.519	54%	0.535	S	S	.	.			trans	-60.8	100.2	173	-96.9	-14.2	0	0	0	109	R175 S196	R175-D198 WeakPolarHBondContact CD-OD2 3.17Å; S196-D198 PolarHBondContact O-N 3.39Å
199	F	53	Low	56.9	Low	73 Å²	73	102 Å²	102	32%	0.32	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.6	174.9	-67.7	-77.3	0	0	0	109.4	F176 R197 Y201	F176-F199 PolarHBondContact N-O 2.74Å; R197-F199 HydrophobicContact CB-CD2 4.46Å; R197-F199 HydrophobicContact CB-CE2 3.89Å; R197-F199 HydrophobicContact CB-CZ 3.93Å; R197-F199 WeakPolarHBondContact O-CD2 3.31Å; R197-F199 WeakPolarHBondContact O-CE2 3.48Å; R197-F199 PolarHBondContact O-N 2.93Å; F199-Y201 HydrophobicContact CB-CD2 4.45Å; F199-Y201 HydrophobicContact CB-CE2 3.72Å; F199-Y201 WeakPolarHBondContact O-CD2 3.4Å; F199-Y201 WeakPolarHBondContact O-CE2 2.87Å
200	R	65.1	Low	60.1	Low	97 Å²	97	99.6 Å²	99.6	37%	0.366	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.9	174.7	-158.5	-174.8	-61.5	-178.8	4.2	108.9	L88 T173 F174	L88-R200 HydrophobicContact CB-CB 4.33Å; L88-R200 WeakPolarHBondContact CB-O 3.12Å; L88-R200 HydrophobicContact CD1-CB 4.01Å; L88-R200 HydrophobicContact CD1-CG 3.8Å; L88-R200 PolarHBondContact N-O 3.07Å; T173-R200 HydrophobicContact CG2-CG 4.4Å; F174-R200 WeakPolarHBondContact O-CA 3.34Å
201	Y	67.6	Low	63.1	Low	10 Å²	10	94.9 Å²	94.9	4%	0.039	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.9	178.8	-66.3	-97.5	0	0	0	111.1	L85 D86 R87 F174 F176 F199	L85-Y201 HydrophobicContact CB-CD1 3.99Å; D86-Y201 CarbonylContact O-C 3.49Å; D86-Y201 VanDerWaalsContact O-CA 3.24Å; D86-Y201 WeakPolarHBondContact O-CA 3.13Å; R87-Y201 HydrophobicContact CB-CE1 4.38Å; R87-Y201 HydrophobicContact CG-CD1 3.83Å; R87-Y201 HydrophobicContact CG-CE1 3.22Å; R87-Y201 PolarHBondContact NE-OH 2.91Å; R87-Y201 VanDerWaalsContact NE-OH 3.08Å; F174-Y201 PolarHBondContact N-O 3.24Å; F174-Y201 PolarHBondContact O-N 2.84Å; F176-Y201 HydrophobicContact CB-CD2 3.85Å; F176-Y201 HydrophobicContact CB-CE2 3.75Å; F176-Y201 AromaticContact CD2-CD2 3.89Å; F176-Y201 HydrophobicContact CD2-CD2 3.89Å; F176-Y201 HydrophobicContact CD2-CG 4.4Å; F176-Y201 HydrophobicContact CG-CD2 4.35Å; F199-Y201 HydrophobicContact CB-CD2 4.45Å; F199-Y201 HydrophobicContact CB-CE2 3.72Å; F199-Y201 WeakPolarHBondContact O-CD2 3.4Å; F199-Y201 WeakPolarHBondContact O-CE2 2.87Å
202	R	73.3	Confident	66.3	Low	133 Å²	133	85.8 Å²	85.8	50%	0.502	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.1	171.5	-174.1	-174.3	-65.3	174.4	4.3	109.6	D86 L88	D86-R202 PolarHBondContact N-O 3.02Å; D86-R202 PolarHBondContact O-N 3.46Å; L88-R202 HydrophobicContact CD1-CB 4.47Å; L88-R202 HydrophobicContact CD2-CB 4.24Å; L88-R202 HydrophobicContact CG-CB 4.32Å
203	R	72.1	Confident	69.5	Low	147 Å²	147	83.9 Å²	83.9	56%	0.555	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	124.7	167.7	-57.4	-171.2	-178.3	158.7	0.4	108.7	F83	F83-R203 HydrophobicContact CB-CB 4.34Å; F83-R203 HydrophobicContact CD2-CB 3.76Å; F83-R203 HydrophobicContact CD2-CG 3.59Å; F83-R203 HydrophobicContact CE2-CB 4.3Å; F83-R203 HydrophobicContact CE2-CG 3.61Å; F83-R203 HydrophobicContact CG-CB 4.06Å; F83-R203 HydrophobicContact CG-CG 4.11Å; F83-R203 HydrophobicContact CZ-CG 4.13Å
204	C	79	Confident	72.6	Confident	33 Å²	33	81 Å²	81	22%	0.223	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.3	175	-162.1	0	0	0	0	109.9	F83 F84 D86 E206	F83-C204 CarbonylContact C-O 3.5Å; F84-C204 WeakPolarHBondContact CA-O 3.4Å; F84-C204 WeakPolarHBondContact CB-O 3.28Å; F84-C204 PolarHBondContact N-O 3.34Å; F84-C204 PolarHBondContact O-N 3.43Å; D86-C204 HydrophobicContact CB-CB 4.47Å; C204-E206 PolarHBondContact SG-N 3.01Å; C204-E206 PolarHBondContact SG-O 3.36Å
205	V	83.8	Confident	75.5	Confident	46 Å²	46	76.6 Å²	76.6	28%	0.279	38%	0.375	S	S	.	.	S	Bend	trans	-106.5	-4.6	169.1	-70.4	0	0	0	0	111.6	S43 F44 Y45	S43-V205 WeakPolarHBondContact OG-CG2 3.23Å; F44-V205 WeakPolarHBondContact CB-O 3.24Å; F44-V205 PolarHBondContact N-O 3.45Å; Y45-V205 HydrophobicContact CE1-CG2 4.46Å
206	E	86.3	Confident	78.4	Confident	105 Å²	105	73.3 Å²	73.3	49%	0.491	35%	0.351	S	S	.	.	S	Bend	trans	-107.6	153.6	179.4	-61.4	176.1	161.9	0	0	110	S43 C204	S43-E206 VanDerWaalsContact OG-CG 3.3Å; S43-E206 WeakPolarHBondContact OG-CG 3.41Å; S43-E206 PolarHBondContact OG-OE1 2.85Å; C204-E206 PolarHBondContact SG-N 3.01Å; C204-E206 PolarHBondContact SG-O 3.36Å
207	L	90.4	Very high	81.1	Confident	15 Å²	15	70.8 Å²	70.8	8%	0.079	33%	0.332	C	S	.	.			trans	-111.3	143.3	175.2	-68.2	178.4	0	0	0	109.6	F44 I72 F84 Q211 L212 L215	F44-L207 HydrophobicContact CD2-CD1 4.36Å; F44-L207 HydrophobicContact CD2-CG 4.32Å; F44-L207 HydrophobicContact CE1-CD1 4.44Å; F44-L207 HydrophobicContact CE2-CB 4.42Å; F44-L207 HydrophobicContact CE2-CD1 3.65Å; F44-L207 HydrophobicContact CE2-CG 3.93Å; F44-L207 HydrophobicContact CZ-CD1 3.69Å; F44-L207 HydrophobicContact CZ-CG 4.47Å; I72-L207 HydrophobicContact CD1-CD1 3.73Å; I72-L207 HydrophobicContact CD1-CD2 4.38Å; F84-L207 HydrophobicContact CD1-CD2 3.85Å; F84-L207 HydrophobicContact CD2-CD2 3.67Å; F84-L207 HydrophobicContact CD2-CG 4.1Å; F84-L207 HydrophobicContact CE1-CD1 4.43Å; F84-L207 HydrophobicContact CE1-CD2 3.85Å; F84-L207 HydrophobicContact CE1-CG 4.4Å; F84-L207 HydrophobicContact CE2-CD1 4.23Å; F84-L207 HydrophobicContact CE2-CD2 3.65Å; F84-L207 HydrophobicContact CE2-CG 3.65Å; F84-L207 HydrophobicContact CG-CD2 3.77Å; F84-L207 HydrophobicContact CZ-CD1 3.92Å; F84-L207 HydrophobicContact CZ-CD2 3.76Å; F84-L207 HydrophobicContact CZ-CG 3.83Å; L207-Q211 HydrophobicContact CB-CB 4.1Å; L207-Q211 HydrophobicContact CD2-CB 4.24Å; L207-L212 HydrophobicContact CB-CD2 3.93Å; L207-L212 HydrophobicContact CB-CG 3.85Å; L207-L212 HydrophobicContact CD1-CD2 4.03Å; L207-L215 HydrophobicContact CD1-CD1 4.01Å
208	S	92	Very high	83.9	Confident	47 Å²	47	66.3 Å²	66.3	33%	0.329	33%	0.325	S	S	.	.			trans	-66.7	163.1	173.2	91.6	0	0	0	0	111.5	E210 Q211 L212	S208-E210 WeakPolarHBondContact CB-OE2 3.07Å; S208-E210 PolarHBondContact O-N 3.28Å; S208-E210 PolarHBondContact OG-N 3.13Å; S208-E210 PolarHBondContact OG-OE2 2.96Å; S208-Q211 PolarHBondContact O-N 2.91Å; S208-Q211 PolarHBondContact OG-N 2.95Å; S208-L212 WeakPolarHBondContact O-CG 3.38Å; S208-L212 PolarHBondContact O-N 2.93Å
209	S	95.5	Very high	86.4	Confident	20 Å²	20	68.8 Å²	68.8	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-57.4	-37.6	174.5	177.2	0	0	0	0	111.9	S38 Y39 K213	S38-S209 WeakPolarHBondContact CB-OG 3.39Å; Y39-S209 PolarHBondContact N-OG 2.89Å; Y39-S209 WeakPolarHBondContact O-CA 3.36Å; Y39-S209 VanDerWaalsContact O-CB 3.27Å; Y39-S209 WeakPolarHBondContact O-CB 3.43Å; S209-K213 VanDerWaalsContact O-CG 3.29Å; S209-K213 WeakPolarHBondContact O-CG 3.16Å; S209-K213 PolarHBondContact O-N 3.06Å; S209-K213 VanDerWaalsContact O-N 3.09Å
210	E	94.1	Very high	88.5	Confident	133 Å²	133	66.3 Å²	66.3	62%	0.621	32%	0.322	S	S	*	.	H	α-helix	trans	-66.3	-45.6	178.7	-61.4	67.7	-146.6	0	0	110.3	S208 K213 T214	S208-E210 WeakPolarHBondContact CB-OE2 3.07Å; S208-E210 PolarHBondContact O-N 3.28Å; S208-E210 PolarHBondContact OG-N 3.13Å; S208-E210 PolarHBondContact OG-OE2 2.96Å; E210-K213 PolarHBondContact O-N 3.18Å; E210-T214 WeakPolarHBondContact O-CG2 3.37Å; E210-T214 PolarHBondContact O-N 3.1Å
211	Q	93.3	Very high	90	Very high	56 Å²	56	65.5 Å²	65.5	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-45.8	176.6	-69.3	174.3	-37.5	0	0	111.5	L207 S208 K213 T214	L207-Q211 HydrophobicContact CB-CB 4.1Å; L207-Q211 HydrophobicContact CD2-CB 4.24Å; S208-Q211 PolarHBondContact O-N 2.91Å; S208-Q211 PolarHBondContact OG-N 2.95Å; Q211-K213 VanDerWaalsContact C-N 3.27Å; Q211-K213 PolarHBondContact O-N 2.85Å; Q211-T214 PolarHBondContact O-N 2.84Å; Q211-T214 VanDerWaalsContact O-N 3.07Å; Q211-T214 PolarHBondContact O-OG1 3.24Å
212	L	96	Very high	91.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-36.7	176.5	-72.2	169.6	0	0	0	112.4	V31 Y39 F44 L207 S208 T214 L215	V31-L212 HydrophobicContact CG1-CD1 4.24Å; V31-L212 HydrophobicContact CG2-CD2 4.09Å; Y39-L212 HydrophobicContact CD2-CB 4.03Å; Y39-L212 HydrophobicContact CG-CB 4.49Å; F44-L212 HydrophobicContact CE2-CD2 4.31Å; F44-L212 HydrophobicContact CZ-CD2 4.35Å; L207-L212 HydrophobicContact CB-CD2 3.93Å; L207-L212 HydrophobicContact CB-CG 3.85Å; L207-L212 HydrophobicContact CD1-CD2 4.03Å; S208-L212 WeakPolarHBondContact O-CG 3.38Å; S208-L212 PolarHBondContact O-N 2.93Å; L212-T214 VanDerWaalsContact C-N 3.29Å; L212-T214 PolarHBondContact O-N 3.23Å; L212-L215 HydrophobicContact CD2-CD1 4.1Å; L212-L215 WeakPolarHBondContact O-CB 3.41Å; L212-L215 PolarHBondContact O-N 3.26Å
213	K	95.6	Very high	92.6	Very high	113 Å²	113	62 Å²	62	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-68.6	-23.8	176.6	-78.1	177.6	179.4	-174.6	0	113.9	G37 Y39 S209 E210 Q211 L215	G37-K213 WeakPolarHBondContact O-CE 3.36Å; G37-K213 PolarHBondContact O-NZ 3Å; Y39-K213 HydrophobicContact CD2-CG 3.59Å; Y39-K213 HydrophobicContact CE2-CG 3.66Å; Y39-K213 HydrophobicContact CG-CG 4.49Å; S209-K213 VanDerWaalsContact O-CG 3.29Å; S209-K213 WeakPolarHBondContact O-CG 3.16Å; S209-K213 PolarHBondContact O-N 3.06Å; S209-K213 VanDerWaalsContact O-N 3.09Å; E210-K213 PolarHBondContact O-N 3.18Å; Q211-K213 VanDerWaalsContact C-N 3.27Å; Q211-K213 PolarHBondContact O-N 2.85Å; K213-L215 PolarHBondContact O-N 3.21Å
214	T	94.8	Very high	93.8	Very high	99 Å²	99	55 Å²	55	61%	0.607	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-14.8	174.7	68.2	0	0	0	0	113.4	E210 Q211 L212	E210-T214 WeakPolarHBondContact O-CG2 3.37Å; E210-T214 PolarHBondContact O-N 3.1Å; Q211-T214 PolarHBondContact O-N 2.84Å; Q211-T214 VanDerWaalsContact O-N 3.07Å; Q211-T214 PolarHBondContact O-OG1 3.24Å; L212-T214 VanDerWaalsContact C-N 3.29Å; L212-T214 PolarHBondContact O-N 3.23Å
215	L	96.2	Very high	94.6	Very high	11 Å²	11	57 Å²	57	6%	0.058	29%	0.289	C	S	.	.	S	Bend	trans	-80.3	143	-179.1	-52.5	-179.2	0	0	0	110.1	I65 V70 I72 L207 L212 K213 L217	I65-L215 HydrophobicContact CD1-CB 3.91Å; I65-L215 HydrophobicContact CD1-CD1 3.75Å; I65-L215 HydrophobicContact CD1-CD2 3.89Å; I65-L215 HydrophobicContact CD1-CG 4.04Å; V70-L215 HydrophobicContact CB-CD2 4.14Å; V70-L215 HydrophobicContact CG1-CD2 4.08Å; V70-L215 HydrophobicContact CG2-CD2 4.22Å; I72-L215 HydrophobicContact CD1-CD2 3.55Å; I72-L215 HydrophobicContact CG1-CD2 3.94Å; L207-L215 HydrophobicContact CD1-CD1 4.01Å; L212-L215 HydrophobicContact CD2-CD1 4.1Å; L212-L215 WeakPolarHBondContact O-CB 3.41Å; L212-L215 PolarHBondContact O-N 3.26Å; K213-L215 PolarHBondContact O-N 3.21Å; L215-L217 HydrophobicContact CB-CD1 4.16Å; L215-L217 HydrophobicContact CB-CD2 4.49Å; L215-L217 HydrophobicContact CB-CG 3.84Å; L215-L217 HydrophobicContact CD1-CD1 4.4Å; L215-L217 PolarHBondContact O-N 3.26Å
216	P	96	Very high	95.1	Very high	36 Å²	36	54.8 Å²	54.8	23%	0.234	28%	0.276	C	S	.	.			trans	-77.2	58.5	178.8	33.8	-36.5	0	0	0	111.4	I65 N66 Q68 V70	I65-P216 HydrophobicContact CB-CG 4.12Å; I65-P216 HydrophobicContact CG2-CG 4.22Å; N66-P216 PolarHBondContact ND2-O 2.77Å; Q68-P216 HydrophobicContact CB-CG 4.28Å; V70-P216 VanDerWaalsContact CG1-CD 3.49Å; V70-P216 HydrophobicContact CG1-CG 4.15Å
217	L	97.4	Very high	95.3	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.136	26%	0.26	C	S	.	.			trans	-83.4	132.8	-179.7	-62.1	174.4	0	0	0	110.9	I65 L215 N222 I242 L244	I65-L217 HydrophobicContact CG2-CD2 3.98Å; L215-L217 HydrophobicContact CB-CD1 4.16Å; L215-L217 HydrophobicContact CB-CD2 4.49Å; L215-L217 HydrophobicContact CB-CG 3.84Å; L215-L217 HydrophobicContact CD1-CD1 4.4Å; L215-L217 PolarHBondContact O-N 3.26Å; L217-N222 HydrophobicContact CD2-CB 3.92Å; L217-I242 HydrophobicContact CD1-CG2 4.4Å; L217-I242 HydrophobicContact CD2-CB 4.09Å; L217-I242 HydrophobicContact CD2-CD1 4.11Å; L217-I242 HydrophobicContact CD2-CG2 3.8Å; L217-L244 HydrophobicContact CB-CD2 3.99Å
218	V	97.2	Very high	95.1	Very high	96 Å²	96	50 Å²	50	58%	0.582	26%	0.256	S	S	*	.			trans	-105.9	146.9	169	-177.2	0	0	0	0	108.2	G220 N222	V218-G220 PolarHBondContact O-N 3.23Å; V218-N222 PolarHBondContact N-OD1 3.41Å; V218-N222 PolarHBondContact O-ND2 3.24Å; V218-N222 PolarHBondContact O-OD1 2.76Å
219	R	95.9	Very high	94.6	Very high	148 Å²	148	51.7 Å²	51.7	56%	0.558	26%	0.264	S	S	*	.	S	Bend	trans	-55	135.8	173.8	-76.7	-172.9	174.6	155.1	2.9	110.4	E33 L244	E33-R219 VanDerWaalsContact CD-NH2 3.29Å; E33-R219 IonicContact OE1-NH2 3.23Å; E33-R219 PolarHBondContact OE1-NH2 3.49Å; E33-R219 IonicContact OE2-CZ 3.9Å; E33-R219 VanDerWaalsContact OE2-CZ 3.27Å; E33-R219 IonicContact OE2-NE 2.6Å; E33-R219 PolarHBondContact OE2-NE 2.93Å; E33-R219 IonicContact OE2-NH2 3.76Å; E33-R219 PolarHBondContact OE2-NH2 3.33Å; R219-L244 HydrophobicContact CG-CD2 4.33Å; R219-L244 HydrophobicContact CG-CG 4.5Å
220	G	96.2	Very high	93.7	Very high	21 Å²	21	51.4 Å²	51.4	22%	0.216	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.5	-133	-172.6	0	0	0	0	0	111.9	V218 F243 L244	V218-G220 PolarHBondContact O-N 3.23Å; G220-F243 CarbonylContact O-C 3.48Å; G220-F243 VanDerWaalsContact O-CA 3.32Å; G220-F243 WeakPolarHBondContact O-CA 3.06Å; G220-L244 PolarHBondContact N-O 3.02Å; G220-L244 PolarHBondContact O-N 2.93Å
221	I	97.5	Very high	92.5	Very high	81 Å²	81	53.8 Å²	53.8	42%	0.415	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.4	-166	-54.2	166.5	0	0	0	109.7	H241 F243 I326	I221-H241 HydrophobicContact CG2-CB 4.12Å; I221-H241 VanDerWaalsContact CG2-CD2 3.44Å; I221-H241 WeakPolarHBondContact CG2-CD2 3.45Å; I221-F243 HydrophobicContact CD1-CE1 4.25Å; I221-F243 HydrophobicContact CG1-CD1 3.97Å; I221-F243 HydrophobicContact CG1-CE1 3.68Å; I221-F243 HydrophobicContact CG1-CZ 4.49Å; I221-F243 HydrophobicContact CG2-CE1 4.49Å; I221-I326 HydrophobicContact CD1-CB 3.85Å; I221-I326 HydrophobicContact CD1-CD1 4.16Å; I221-I326 HydrophobicContact CD1-CG2 3.55Å; I221-I326 HydrophobicContact CG1-CG2 4.48Å
222	N	98.4	Very high	91.4	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.3	175.9	-57.3	-88.6	0	0	0	109.6	I65 N66 L217 V218 H241 I242	I65-N222 HydrophobicContact CG2-CB 4.32Å; N66-N222 PolarHBondContact ND2-OD1 3.37Å; N66-N222 VanDerWaalsContact OD1-CA 3.3Å; N66-N222 WeakPolarHBondContact OD1-CA 3.45Å; L217-N222 HydrophobicContact CD2-CB 3.92Å; V218-N222 PolarHBondContact N-OD1 3.41Å; V218-N222 PolarHBondContact O-ND2 3.24Å; V218-N222 PolarHBondContact O-OD1 2.76Å; N222-H241 CarbonylContact O-C 3.45Å; N222-H241 VanDerWaalsContact O-CA 3.22Å; N222-H241 WeakPolarHBondContact O-CA 3.41Å; N222-I242 HydrophobicContact CB-CB 4.24Å; N222-I242 WeakPolarHBondContact CB-O 3.43Å; N222-I242 PolarHBondContact N-O 2.8Å; N222-I242 PolarHBondContact ND2-O 3.37Å; N222-I242 VanDerWaalsContact ND2-O 3.1Å; N222-I242 PolarHBondContact O-N 3Å
223	K	97.7	Very high	90	Very high	67 Å²	67	64.1 Å²	64.1	29%	0.291	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.9	179.7	-174	-179.9	179.7	-175.6	0	109.6	I65 N66 E239	I65-K223 CarbonylContact C-O 3.56Å; I65-K223 VanDerWaalsContact CA-O 3.29Å; I65-K223 WeakPolarHBondContact CA-O 3.34Å; N66-K223 PolarHBondContact N-O 3.1Å; N66-K223 PolarHBondContact OD1-N 3.22Å; K223-E239 WeakPolarHBondContact CE-OE1 3.26Å; K223-E239 WeakPolarHBondContact CE-OE2 3.3Å; K223-E239 IonicContact NZ-OE1 3.11Å; K223-E239 PolarHBondContact NZ-OE1 3.25Å; K223-E239 IonicContact NZ-OE2 3.79Å; K223-E239 PolarHBondContact NZ-OE2 2.93Å; K223-E239 VanDerWaalsContact NZ-OE2 3.15Å
224	A	97.2	Very high	89.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.4	173.7	0	0	0	0	0	110.5	S64 I65 F226 E239 C240 I242	S64-A224 CarbonylContact O-C 3.54Å; S64-A224 WeakPolarHBondContact O-CA 3.42Å; I65-A224 HydrophobicContact CG1-CB 4.38Å; A224-F226 HydrophobicContact CB-CE2 4.24Å; A224-F226 HydrophobicContact CB-CZ 4.36Å; A224-E239 CarbonylContact O-C 3.54Å; A224-E239 VanDerWaalsContact O-CA 3.25Å; A224-E239 WeakPolarHBondContact O-CA 3.46Å; A224-C240 PolarHBondContact N-O 3.35Å; A224-C240 PolarHBondContact O-N 3.24Å; A224-C240 VanDerWaalsContact O-O 3.1Å; A224-I242 HydrophobicContact CB-CD1 3.83Å; A224-I242 HydrophobicContact CB-CG1 3.91Å
225	R	95.7	Very high	88.5	Confident	75 Å²	75	59.5 Å²	59.5	28%	0.283	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.2	174.4	178.3	-173.9	-68.8	168.2	-2.7	109.4	I63 S64 W237 C238 E239	I63-R225 WeakPolarHBondContact CA-O 3.38Å; S64-R225 PolarHBondContact N-O 2.92Å; S64-R225 PolarHBondContact O-N 2.75Å; S64-R225 WeakPolarHBondContact OG-CB 3.45Å; R225-W237 HydrophobicContact CG-CB 4.19Å; R225-W237 HydrophobicContact CG-CE3 4.44Å; R225-C238 WeakPolarHBondContact CA-O 3.14Å; R225-E239 HydrophobicContact CB-CG 3.96Å; R225-E239 HydrophobicContact CG-CG 4.05Å; R225-E239 IonicContact CZ-OE1 2.67Å; R225-E239 VanDerWaalsContact CZ-OE1 3.23Å; R225-E239 IonicContact NE-OE1 3.61Å; R225-E239 PolarHBondContact NE-OE1 3.34Å; R225-E239 IonicContact NH2-OE1 3.85Å; R225-E239 PolarHBondContact NH2-OE1 2.76Å
226	F	93.3	Very high	87.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.4	175.2	-56.1	-87.2	0	0	0	107.9	A26 F44 V46 F48 V61 D62 I63 M74 A224 W237 C238	A26-F226 HydrophobicContact CB-CD2 4.08Å; A26-F226 HydrophobicContact CB-CE2 4.03Å; F44-F226 HydrophobicContact CD1-CE1 4.42Å; F44-F226 HydrophobicContact CD1-CZ 4.12Å; V46-F226 HydrophobicContact CG1-CB 4.01Å; V46-F226 HydrophobicContact CG1-CD1 4.15Å; V46-F226 HydrophobicContact CG1-CD2 4.14Å; V46-F226 HydrophobicContact CG1-CG 3.82Å; V46-F226 HydrophobicContact CG2-CD1 3.89Å; V46-F226 HydrophobicContact CG2-CD2 3.86Å; V46-F226 HydrophobicContact CG2-CE1 3.69Å; V46-F226 HydrophobicContact CG2-CE2 3.66Å; V46-F226 HydrophobicContact CG2-CG 3.98Å; V46-F226 HydrophobicContact CG2-CZ 3.58Å; F48-F226 HydrophobicContact CE2-CB 4.16Å; F48-F226 HydrophobicContact CZ-CB 4Å; V61-F226 HydrophobicContact CG1-CB 3.74Å; V61-F226 HydrophobicContact CG1-CD1 4.24Å; V61-F226 HydrophobicContact CG1-CG 4.5Å; D62-F226 CarbonylContact O-C 3.59Å; D62-F226 WeakPolarHBondContact O-CA 3.29Å; I63-F226 HydrophobicContact CD1-CD1 4.19Å; I63-F226 HydrophobicContact CD1-CE1 3.94Å; I63-F226 HydrophobicContact CG1-CD1 3.82Å; I63-F226 HydrophobicContact CG1-CE1 3.99Å; I63-F226 HydrophobicContact CG2-CD1 4.44Å; I63-F226 HydrophobicContact CG2-CE1 4.14Å; M74-F226 HydrophobicContact SD-CD1 4Å; M74-F226 HydrophobicContact SD-CE1 3.9Å; A224-F226 HydrophobicContact CB-CE2 4.24Å; A224-F226 HydrophobicContact CB-CZ 4.36Å; F226-W237 CarbonylContact O-C 3.6Å; F226-W237 WeakPolarHBondContact O-CA 3.46Å; F226-W237 VanDerWaalsContact O-CB 3.23Å; F226-W237 WeakPolarHBondContact O-CB 3.23Å; F226-C238 PolarHBondContact N-O 3.22Å; F226-C238 PolarHBondContact O-N 3.2Å
227	S	90.7	Very high	87.4	Confident	21 Å²	21	64.9 Å²	64.9	15%	0.147	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.8	-175.8	-52.6	0	0	0	0	111	V61 D62 C236	V61-S227 CarbonylContact C-O 3.47Å; V61-S227 WeakPolarHBondContact CA-O 3.47Å; D62-S227 PolarHBondContact N-O 3.42Å; D62-S227 PolarHBondContact O-N 3.44Å; S227-C236 CarbonylContact C-O 3.11Å; S227-C236 WeakPolarHBondContact CA-O 3.48Å
228	V	87.3	Confident	87	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	118.6	176.6	177	0	0	0	0	108.2	F48 V53 K59 V61 L76 T230 T235 C236	F48-V228 HydrophobicContact CD1-CB 4.23Å; F48-V228 HydrophobicContact CD1-CG2 3.96Å; F48-V228 HydrophobicContact CD2-CG2 3.98Å; F48-V228 HydrophobicContact CE1-CB 4.02Å; F48-V228 HydrophobicContact CE1-CG2 3.69Å; F48-V228 HydrophobicContact CE2-CG2 3.7Å; F48-V228 HydrophobicContact CG-CG2 4.09Å; F48-V228 HydrophobicContact CZ-CB 4.33Å; F48-V228 HydrophobicContact CZ-CG2 3.55Å; V53-V228 HydrophobicContact CG2-CB 4.37Å; V53-V228 HydrophobicContact CG2-CG1 3.8Å; K59-V228 HydrophobicContact CB-CG1 3.95Å; V61-V228 HydrophobicContact CB-CG2 4.13Å; V61-V228 HydrophobicContact CG1-CG2 4.09Å; V61-V228 HydrophobicContact CG2-CG2 3.7Å; L76-V228 HydrophobicContact CD1-CG1 4.21Å; L76-V228 HydrophobicContact CD1-CG2 4.05Å; L76-V228 HydrophobicContact CG-CG2 4.44Å; V228-T230 HydrophobicContact CG1-CG2 4.19Å; V228-T235 WeakPolarHBondContact O-CA 3.26Å; V228-C236 PolarHBondContact N-O 3.01Å; V228-C236 PolarHBondContact O-N 2.85Å
229	T	80.5	Confident	86.9	Confident	82 Å²	82	60.7 Å²	60.7	50%	0.503	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.8	178.4	-59	0	0	0	0	110.2	T235	T229-T235 PolarHBondContact OG1-OG1 3.49Å
230	T	75.9	Confident	86.8	Confident	14 Å²	14	53.7 Å²	53.7	9%	0.086	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.9	176.9	72.7	0	0	0	0	110.9	V53 V228 Y232 Q233 G234	V53-T230 HydrophobicContact CB-CG2 4.46Å; V53-T230 HydrophobicContact CG1-CG2 3.94Å; V53-T230 HydrophobicContact CG2-CG2 4.31Å; V228-T230 HydrophobicContact CG1-CG2 4.19Å; T230-Y232 VanDerWaalsContact C-N 3.27Å; T230-Y232 PolarHBondContact O-N 3.1Å; T230-Q233 VanDerWaalsContact OG1-CB 3.3Å; T230-Q233 WeakPolarHBondContact OG1-CB 3.45Å; T230-Q233 PolarHBondContact OG1-N 2.88Å; T230-Q233 VanDerWaalsContact OG1-N 3.12Å; T230-G234 PolarHBondContact N-O 3.28Å; T230-G234 PolarHBondContact O-N 2.89Å; T230-G234 PolarHBondContact OG1-O 3.34Å
231	K	70.9	Confident	86.9	Confident	182 Å²	182	54.1 Å²	54.1	79%	0.791	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.2	-178.1	-174.4	175.7	-178.9	176.6	0	113.6
232	Y	69.2	Low	86.9	Confident	203 Å²	203	50.3 Å²	50.3	80%	0.796	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-22.7	-170.6	-59	-67.9	0	0	0	114.2	T230	T230-Y232 VanDerWaalsContact C-N 3.27Å; T230-Y232 PolarHBondContact O-N 3.1Å
233	Q	66.1	Low	86.9	Confident	71 Å²	71	50.4 Å²	50.4	33%	0.332	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-2.6	-176.2	-51.6	176.9	-71.8	0	0	112.8	M51 G52 T230	M51-Q233 PolarHBondContact O-NE2 3.27Å; G52-Q233 VanDerWaalsContact C-OE1 3.28Å; G52-Q233 PolarHBondContact O-OE1 3.25Å; G52-Q233 VanDerWaalsContact O-OE1 3.08Å; T230-Q233 VanDerWaalsContact OG1-CB 3.3Å; T230-Q233 WeakPolarHBondContact OG1-CB 3.45Å; T230-Q233 PolarHBondContact OG1-N 2.88Å; T230-Q233 VanDerWaalsContact OG1-N 3.12Å
234	G	76.5	Confident	87	Confident	35 Å²	35	47.5 Å²	47.5	36%	0.361	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75	-153.4	-174.9	0	0	0	0	0	112	T230	T230-G234 PolarHBondContact N-O 3.28Å; T230-G234 PolarHBondContact O-N 2.89Å; T230-G234 PolarHBondContact OG1-O 3.34Å
235	T	82.3	Confident	87	Confident	80 Å²	80	48 Å²	48	49%	0.491	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.5	-178.6	-54.6	0	0	0	0	110.6	V228 T229	V228-T235 WeakPolarHBondContact O-CA 3.26Å; T229-T235 PolarHBondContact OG1-OG1 3.49Å
236	C	82.3	Confident	87	Confident	28 Å²	28	46.1 Å²	46.1	19%	0.189	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.5	167.9	-174.6	0	0	0	0	108.9	F48 S227 V228	F48-C236 HydrophobicContact CD1-CB 4.31Å; F48-C236 HydrophobicContact CE1-CB 4.33Å; S227-C236 CarbonylContact C-O 3.11Å; S227-C236 WeakPolarHBondContact CA-O 3.48Å; V228-C236 PolarHBondContact N-O 3.01Å; V228-C236 PolarHBondContact O-N 2.85Å
237	W	87.6	Confident	87.1	Confident	132 Å²	132	48.6 Å²	48.6	50%	0.5	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.5	177.4	57	-92.1	0	0	0	112.3	R225 F226 E239	R225-W237 HydrophobicContact CG-CB 4.19Å; R225-W237 HydrophobicContact CG-CE3 4.44Å; F226-W237 CarbonylContact O-C 3.6Å; F226-W237 WeakPolarHBondContact O-CA 3.46Å; F226-W237 VanDerWaalsContact O-CB 3.23Å; F226-W237 WeakPolarHBondContact O-CB 3.23Å; W237-E239 HydrophobicContact CE3-CG 3.82Å; W237-E239 HydrophobicContact CZ3-CG 3.7Å
238	C	89.8	Confident	87.3	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.061	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	162	166.8	61	0	0	0	0	110.8	T24 R225 F226	T24-C238 HydrophobicContact CG2-CB 3.68Å; R225-C238 WeakPolarHBondContact CA-O 3.14Å; F226-C238 PolarHBondContact N-O 3.22Å; F226-C238 PolarHBondContact O-N 3.2Å
239	E	93.3	Very high	87.7	Confident	25 Å²	25	48 Å²	48	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.5	-174.5	-67.4	-178.3	165.9	0	0	112	K223 A224 R225 W237	K223-E239 WeakPolarHBondContact CE-OE1 3.26Å; K223-E239 WeakPolarHBondContact CE-OE2 3.3Å; K223-E239 IonicContact NZ-OE1 3.11Å; K223-E239 PolarHBondContact NZ-OE1 3.25Å; K223-E239 IonicContact NZ-OE2 3.79Å; K223-E239 PolarHBondContact NZ-OE2 2.93Å; K223-E239 VanDerWaalsContact NZ-OE2 3.15Å; A224-E239 CarbonylContact O-C 3.54Å; A224-E239 VanDerWaalsContact O-CA 3.25Å; A224-E239 WeakPolarHBondContact O-CA 3.46Å; R225-E239 HydrophobicContact CB-CG 3.96Å; R225-E239 HydrophobicContact CG-CG 4.05Å; R225-E239 IonicContact CZ-OE1 2.67Å; R225-E239 VanDerWaalsContact CZ-OE1 3.23Å; R225-E239 IonicContact NE-OE1 3.61Å; R225-E239 PolarHBondContact NE-OE1 3.34Å; R225-E239 IonicContact NH2-OE1 3.85Å; R225-E239 PolarHBondContact NH2-OE1 2.76Å; W237-E239 HydrophobicContact CE3-CG 3.82Å; W237-E239 HydrophobicContact CZ3-CG 3.7Å
240	C	95	Very high	88.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	179.3	163.7	76.5	0	0	0	0	110.5	A26 V27 D28 A224	A26-C240 HydrophobicContact CB-CB 3.78Å; V27-C240 VanDerWaalsContact O-CB 3.22Å; V27-C240 WeakPolarHBondContact O-CB 3.38Å; V27-C240 PolarHBondContact O-SG 3.4Å; D28-C240 WeakPolarHBondContact OD1-CB 3.24Å; A224-C240 PolarHBondContact N-O 3.35Å; A224-C240 PolarHBondContact O-N 3.24Å; A224-C240 VanDerWaalsContact O-O 3.1Å
241	H	97.4	Very high	89.6	Confident	30 Å²	30	45.6 Å²	45.6	14%	0.139	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.3	172	-63.9	74.7	0	0	0	109.8	D28 V29 I221 N222 F243 R315	D28-H241 WeakPolarHBondContact CA-O 2.95Å; D28-H241 WeakPolarHBondContact CB-O 3.29Å; D28-H241 PolarHBondContact OD1-N 2.9Å; D28-H241 IonicContact OD1-ND1 3.82Å; V29-H241 PolarHBondContact N-O 3.15Å; I221-H241 HydrophobicContact CG2-CB 4.12Å; I221-H241 VanDerWaalsContact CG2-CD2 3.44Å; I221-H241 WeakPolarHBondContact CG2-CD2 3.45Å; N222-H241 CarbonylContact O-C 3.45Å; N222-H241 VanDerWaalsContact O-CA 3.22Å; N222-H241 WeakPolarHBondContact O-CA 3.41Å; H241-F243 HydrophobicContact CB-CD2 4.15Å; H241-F243 HydrophobicContact CB-CE2 3.53Å; H241-F243 HydrophobicContact CB-CZ 4.07Å; H241-R315 PolarHBondContact CE1-NH2 3.3Å; H241-R315 PolarHBondContact ND1-NH2 3.48Å
242	I	98.2	Very high	90.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.1	168.8	-53	173.5	0	0	0	107.1	V29 V31 F44 I65 L217 N222 A224	V29-I242 HydrophobicContact CB-CG1 4.15Å; V29-I242 HydrophobicContact CB-CG2 4.3Å; V29-I242 HydrophobicContact CG1-CG2 4.24Å; V29-I242 CarbonylContact O-C 3.52Å; V29-I242 WeakPolarHBondContact O-CA 3.31Å; V31-I242 HydrophobicContact CG2-CG2 3.69Å; F44-I242 HydrophobicContact CE1-CD1 3.99Å; F44-I242 HydrophobicContact CZ-CD1 4.33Å; I65-I242 HydrophobicContact CD1-CD1 3.76Å; I65-I242 HydrophobicContact CG1-CD1 4.19Å; L217-I242 HydrophobicContact CD1-CG2 4.4Å; L217-I242 HydrophobicContact CD2-CB 4.09Å; L217-I242 HydrophobicContact CD2-CD1 4.11Å; L217-I242 HydrophobicContact CD2-CG2 3.8Å; N222-I242 HydrophobicContact CB-CB 4.24Å; N222-I242 WeakPolarHBondContact CB-O 3.43Å; N222-I242 PolarHBondContact N-O 2.8Å; N222-I242 PolarHBondContact ND2-O 3.37Å; N222-I242 VanDerWaalsContact ND2-O 3.1Å; N222-I242 PolarHBondContact O-N 3Å; A224-I242 HydrophobicContact CB-CD1 3.83Å; A224-I242 HydrophobicContact CB-CG1 3.91Å
243	F	98.5	Very high	92.2	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.7	177.5	-67.9	-100	0	0	0	109	D28 V29 L30 V31 G220 I221 H241 W245 I326 P328	D28-F243 HydrophobicContact CB-CD2 4.46Å; D28-F243 HydrophobicContact CB-CE2 4.13Å; V29-F243 PolarHBondContact O-N 3.3Å; L30-F243 HydrophobicContact CD1-CB 3.92Å; V31-F243 PolarHBondContact N-O 3.27Å; G220-F243 CarbonylContact O-C 3.48Å; G220-F243 VanDerWaalsContact O-CA 3.32Å; G220-F243 WeakPolarHBondContact O-CA 3.06Å; I221-F243 HydrophobicContact CD1-CE1 4.25Å; I221-F243 HydrophobicContact CG1-CD1 3.97Å; I221-F243 HydrophobicContact CG1-CE1 3.68Å; I221-F243 HydrophobicContact CG1-CZ 4.49Å; I221-F243 HydrophobicContact CG2-CE1 4.49Å; H241-F243 HydrophobicContact CB-CD2 4.15Å; H241-F243 HydrophobicContact CB-CE2 3.53Å; H241-F243 HydrophobicContact CB-CZ 4.07Å; F243-W245 HydrophobicContact CB-CZ2 4.43Å; F243-W245 AromaticContact CD1-CZ2 3.79Å; F243-W245 HydrophobicContact CD1-CZ2 3.79Å; F243-W245 AromaticContact CD1-NE1 3.96Å; F243-W245 HydrophobicContact CE1-CZ2 4.48Å; F243-W245 HydrophobicContact CG-CZ2 4.38Å; F243-I326 HydrophobicContact CE1-CG2 4.16Å; F243-I326 HydrophobicContact CZ-CG2 4.07Å; F243-P328 HydrophobicContact CD2-CB 3.62Å; F243-P328 HydrophobicContact CD2-CG 4.22Å; F243-P328 HydrophobicContact CE2-CB 3.68Å; F243-P328 HydrophobicContact CE2-CG 4.43Å; F243-P328 HydrophobicContact CG-CB 4.26Å; F243-P328 HydrophobicContact CG-CG 4.39Å; F243-P328 HydrophobicContact CZ-CB 4.37Å; F243-P328 VanDerWaalsContact CZ-N 3.31Å
244	L	98.5	Very high	93.7	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	105	173.1	177.5	60	0	0	0	109.5	V31 Y39 L217 R219 G220	V31-L244 HydrophobicContact CB-CD1 4.05Å; V31-L244 HydrophobicContact CG1-CD1 3.74Å; V31-L244 WeakPolarHBondContact O-CA 3.47Å; Y39-L244 HydrophobicContact CD1-CD1 4.24Å; Y39-L244 HydrophobicContact CE1-CD1 4.01Å; L217-L244 HydrophobicContact CB-CD2 3.99Å; R219-L244 HydrophobicContact CG-CD2 4.33Å; R219-L244 HydrophobicContact CG-CG 4.5Å; G220-L244 PolarHBondContact N-O 3.02Å; G220-L244 PolarHBondContact O-N 2.93Å
245	W	98	Very high	94.4	Very high	12 Å²	12	22.4 Å²	22.4	5%	0.045	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	169.2	-178.3	-70.5	-7.4	0	0	0	111.2	L30 V31 I32 E33 F243 D249 L251 R295 I297 P328	L30-W245 HydrophobicContact CD1-CB 4.29Å; L30-W245 HydrophobicContact CD1-CD2 3.73Å; L30-W245 HydrophobicContact CD1-CE3 3.43Å; L30-W245 VanDerWaalsContact CD1-CE3 3.43Å; L30-W245 HydrophobicContact CD1-CG 4.12Å; L30-W245 HydrophobicContact CD1-CZ3 3.94Å; L30-W245 HydrophobicContact CD2-CE3 4.39Å; L30-W245 HydrophobicContact CD2-CZ3 4.44Å; V31-W245 PolarHBondContact O-N 2.89Å; I32-W245 WeakPolarHBondContact CA-O 3.49Å; I32-W245 HydrophobicContact CD1-CB 3.94Å; E33-W245 PolarHBondContact N-O 3.45Å; F243-W245 HydrophobicContact CB-CZ2 4.43Å; F243-W245 AromaticContact CD1-CZ2 3.79Å; F243-W245 HydrophobicContact CD1-CZ2 3.79Å; F243-W245 AromaticContact CD1-NE1 3.96Å; F243-W245 HydrophobicContact CE1-CZ2 4.48Å; F243-W245 HydrophobicContact CG-CZ2 4.38Å; W245-D249 WeakPolarHBondContact CB-OD2 3.27Å; W245-L251 HydrophobicContact CE3-CD2 3.65Å; W245-L251 HydrophobicContact CH2-CD2 4.41Å; W245-L251 HydrophobicContact CZ3-CD2 3.36Å; W245-R295 HydrophobicContact CD2-CB 4.46Å; W245-R295 HydrophobicContact CD2-CG 4.18Å; W245-R295 HydrophobicContact CE3-CB 4.13Å; W245-R295 HydrophobicContact CE3-CG 4.24Å; W245-R295 HydrophobicContact CH2-CB 3.57Å; W245-R295 HydrophobicContact CH2-CG 4.25Å; W245-R295 HydrophobicContact CZ2-CB 3.9Å; W245-R295 HydrophobicContact CZ2-CG 4.15Å; W245-R295 HydrophobicContact CZ3-CB 3.71Å; W245-R295 HydrophobicContact CZ3-CG 4.3Å; W245-I297 HydrophobicContact CH2-CG2 3.87Å; W245-I297 HydrophobicContact CZ3-CG2 3.73Å; W245-P328 VanDerWaalsContact CH2-CD 3.46Å; W245-P328 HydrophobicContact CH2-CG 3.9Å; W245-P328 HydrophobicContact CZ3-CG 4.4Å
246	R	96.1	Very high	94.8	Very high	35 Å²	35	18.6 Å²	18.6	13%	0.132	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	154.1	177.7	-74.2	-179.1	57.2	-173.1	-8.1	111	E33 D248 D249 N436	E33-R246 HydrophobicContact CB-CG 4.47Å; R246-D248 WeakPolarHBondContact CB-OD1 3.44Å; R246-D248 IonicContact CZ-OD1 3.88Å; R246-D248 IonicContact CZ-OD2 3.23Å; R246-D248 IonicContact NE-OD1 3.05Å; R246-D248 IonicContact NH2-OD1 2.87Å; R246-D248 IonicContact NH2-OD2 3.83Å; R246-D248 PolarHBondContact NH2-OD2 2.69Å; R246-D248 PolarHBondContact O-N 2.87Å; R246-D249 PolarHBondContact N-OD2 2.96Å; R246-D249 WeakPolarHBondContact O-CB 3.49Å; R246-D249 PolarHBondContact O-N 3.31Å; R246-D249 VanDerWaalsContact O-N 3.11Å; R246-N436 PolarHBondContact NH1-O 3.49Å; R246-N436 PolarHBondContact NH2-O 3.47Å; R246-N436 VanDerWaalsContact NH2-O 3.12Å
247	W	95.8	Very high	94.9	Very high	52 Å²	52	18.3 Å²	18.3	20%	0.197	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-22	176.9	70.9	-92	0	0	0	114.9	I32 E33 P35 F364 P365 V368 V437	I32-W247 HydrophobicContact CG2-CB 4.1Å; E33-W247 WeakPolarHBondContact O-CB 3.38Å; E33-W247 PolarHBondContact O-N 2.87Å; P35-W247 HydrophobicContact CG-CD2 3.83Å; P35-W247 HydrophobicContact CG-CG 3.84Å; P35-W247 HydrophobicContact CG-CZ2 4.4Å; W247-F364 WeakPolarHBondContact O-CD1 3.32Å; W247-P365 HydrophobicContact CB-CG 4.02Å; W247-P365 HydrophobicContact CE3-CG 4.37Å; W247-V368 HydrophobicContact CE3-CG1 4.46Å; W247-V368 HydrophobicContact CE3-CG2 3.88Å; W247-V368 HydrophobicContact CZ3-CG2 3.71Å; W247-V437 HydrophobicContact CH2-CG1 4.19Å; W247-V437 HydrophobicContact CH2-CG2 4.36Å; W247-V437 HydrophobicContact CZ2-CG1 4.46Å; W247-V437 HydrophobicContact CZ2-CG2 4.07Å
248	D	94.2	Very high	94.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-5.5	-176.8	62.6	-10.3	0	0	0	114.2	R246 K250 R431 V437 L438	R246-D248 WeakPolarHBondContact CB-OD1 3.44Å; R246-D248 IonicContact CZ-OD1 3.88Å; R246-D248 IonicContact CZ-OD2 3.23Å; R246-D248 IonicContact NE-OD1 3.05Å; R246-D248 IonicContact NH2-OD1 2.87Å; R246-D248 IonicContact NH2-OD2 3.83Å; R246-D248 PolarHBondContact NH2-OD2 2.69Å; R246-D248 PolarHBondContact O-N 2.87Å; D248-K250 PolarHBondContact O-NZ 2.99Å; D248-R431 VanDerWaalsContact CG-NH1 3.27Å; D248-R431 IonicContact OD1-CZ 4Å; D248-R431 IonicContact OD1-NH1 3.15Å; D248-R431 PolarHBondContact OD1-NH1 3.12Å; D248-R431 VanDerWaalsContact OD1-NH1 3.11Å; D248-R431 IonicContact OD1-NH2 3.93Å; D248-R431 PolarHBondContact OD1-NH2 3.03Å; D248-R431 IonicContact OD2-CZ 2.78Å; D248-R431 IonicContact OD2-NH1 2.92Å; D248-R431 PolarHBondContact OD2-NH1 2.73Å; D248-R431 IonicContact OD2-NH2 2.93Å; D248-V437 HydrophobicContact CB-CG1 4.09Å; D248-V437 VanDerWaalsContact OD2-CA 3.31Å; D248-V437 WeakPolarHBondContact OD2-CA 3.44Å; D248-L438 HydrophobicContact CB-CB 4.37Å; D248-L438 PolarHBondContact OD2-N 3.44Å
249	D	96.8	Very high	94.7	Very high	8 Å²	8	11.8 Å²	11.8	4%	0.043	5%	0.053	C	C	.	.			trans	-60.6	144.2	176.7	-71.6	-35.1	0	0	0	111.1	W245 R246 R295 R431	W245-D249 WeakPolarHBondContact CB-OD2 3.27Å; R246-D249 PolarHBondContact N-OD2 2.96Å; R246-D249 WeakPolarHBondContact O-CB 3.49Å; R246-D249 PolarHBondContact O-N 3.31Å; R246-D249 VanDerWaalsContact O-N 3.11Å; D249-R295 HydrophobicContact CB-CG 4.26Å; D249-R431 IonicContact OD1-NH2 3.86Å; D249-R431 PolarHBondContact OD1-NH2 2.96Å
250	K	96.5	Very high	94.5	Very high	46 Å²	46	10.6 Å²	10.6	20%	0.2	5%	0.047	C	C	.	.			trans	-106.6	121.6	-176.3	-60.4	-60	175.9	-113.5	0	110.8	D248 Y294 R295 L429	D248-K250 PolarHBondContact O-NZ 2.99Å; K250-Y294 HydrophobicContact CB-CD1 3.64Å; K250-Y294 HydrophobicContact CB-CE1 3.99Å; K250-R295 PolarHBondContact O-N 2.96Å; K250-L429 HydrophobicContact CB-CD1 4Å; K250-L429 HydrophobicContact CG-CD1 3.87Å
251	L	98.1	Very high	94	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.3	-171.1	-53.9	-171.2	0	0	0	112	W245 R295 I297 I360 F364 P370 F371 Y372	W245-L251 HydrophobicContact CE3-CD2 3.65Å; W245-L251 HydrophobicContact CH2-CD2 4.41Å; W245-L251 HydrophobicContact CZ3-CD2 3.36Å; L251-R295 CarbonylContact C-O 3.49Å; L251-R295 VanDerWaalsContact CA-O 3.31Å; L251-R295 WeakPolarHBondContact CA-O 3.35Å; L251-R295 HydrophobicContact CD2-CB 3.8Å; L251-I297 HydrophobicContact CD1-CG2 4.38Å; L251-I297 HydrophobicContact CD2-CG2 4.49Å; L251-I360 HydrophobicContact CD1-CG2 4.1Å; L251-F364 HydrophobicContact CD1-CE2 3.9Å; L251-F364 HydrophobicContact CD1-CZ 3.82Å; L251-F364 HydrophobicContact CG-CZ 4.29Å; L251-P370 HydrophobicContact CD1-CB 3.98Å; L251-P370 HydrophobicContact CD1-CG 4.36Å; L251-P370 HydrophobicContact CG-CB 3.98Å; L251-P370 PolarHBondContact N-O 2.77Å; L251-F371 HydrophobicContact CB-CD1 4Å; L251-F371 HydrophobicContact CB-CE1 4.49Å; L251-F371 HydrophobicContact CD1-CD1 4.24Å; L251-F371 HydrophobicContact CD1-CE1 3.98Å; L251-Y372 WeakPolarHBondContact O-CB 3.49Å; L251-Y372 PolarHBondContact O-N 2.8Å
252	V	98.4	Very high	93.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.9	168.9	-178.8	0	0	0	0	107.8	F286 V289 Y294 R295 V296 I297 A373 F426	V252-F286 HydrophobicContact CG1-CE1 4.26Å; V252-V289 HydrophobicContact CB-CG1 4.38Å; V252-V289 HydrophobicContact CG2-CG1 3.78Å; V252-Y294 HydrophobicContact CG2-CD1 4.41Å; V252-Y294 HydrophobicContact CG2-CG 4.5Å; V252-R295 PolarHBondContact N-O 2.71Å; V252-V296 WeakPolarHBondContact O-CA 3.34Å; V252-I297 PolarHBondContact O-N 3.5Å; V252-A373 WeakPolarHBondContact CA-O 3.27Å; V252-A373 HydrophobicContact CG1-CB 4.33Å; V252-A373 HydrophobicContact CG2-CB 4.46Å; V252-F426 HydrophobicContact CG1-CE1 4.4Å; V252-F426 HydrophobicContact CG2-CD1 4.18Å; V252-F426 HydrophobicContact CG2-CE1 3.57Å; V252-F426 HydrophobicContact CG2-CZ 4.43Å
253	I	97.8	Very high	91.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	133.1	179.2	-49.2	164.9	0	0	0	108	I297 L299 L357 F371 A373 G374 V375 Y385 V388 V390	I253-I297 HydrophobicContact CB-CG1 4.43Å; I253-I297 HydrophobicContact CG1-CD1 4.19Å; I253-I297 HydrophobicContact CG1-CG1 4.28Å; I253-I297 HydrophobicContact CG2-CG1 4.44Å; I253-L299 HydrophobicContact CG2-CD1 3.51Å; I253-L299 HydrophobicContact CG2-CG 3.89Å; I253-L357 HydrophobicContact CD1-CD1 3.92Å; I253-L357 HydrophobicContact CD1-CD2 3.59Å; I253-L357 HydrophobicContact CD1-CG 4.41Å; I253-L357 HydrophobicContact CG1-CD2 3.94Å; I253-L357 HydrophobicContact CG2-CD2 4.12Å; I253-F371 HydrophobicContact CD1-CB 4.38Å; I253-F371 HydrophobicContact CD1-CD1 3.64Å; I253-F371 HydrophobicContact CD1-CE1 4.09Å; I253-F371 HydrophobicContact CD1-CG 4.07Å; I253-F371 HydrophobicContact CG1-CD1 3.67Å; I253-F371 HydrophobicContact CG1-CE1 4.09Å; I253-A373 PolarHBondContact N-O 2.88Å; I253-G374 CarbonylContact O-C 3.53Å; I253-G374 WeakPolarHBondContact O-CA 3.4Å; I253-V375 PolarHBondContact O-N 3.33Å; I253-Y385 HydrophobicContact CB-CD1 4.43Å; I253-Y385 HydrophobicContact CB-CE1 4.21Å; I253-Y385 HydrophobicContact CD1-CD1 3.77Å; I253-Y385 HydrophobicContact CD1-CE1 4.31Å; I253-Y385 HydrophobicContact CD1-CG 4.23Å; I253-Y385 HydrophobicContact CG2-CD1 4.07Å; I253-Y385 HydrophobicContact CG2-CE1 3.47Å; I253-Y385 VanDerWaalsContact CG2-CE1 3.47Å; I253-V388 HydrophobicContact CD1-CG2 4.29Å; I253-V390 HydrophobicContact CD1-CG2 4.03Å
254	S	95.9	Very high	90.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.8	168.4	-173.9	0	0	0	0	110.2	F286 I297 Y298 L299 V375	S254-F286 VanDerWaalsContact CB-CZ 3.49Å; S254-F286 WeakPolarHBondContact OG-CZ 3.39Å; S254-I297 PolarHBondContact N-O 2.81Å; S254-Y298 CarbonylContact O-C 3.51Å; S254-Y298 WeakPolarHBondContact O-CA 3.35Å; S254-L299 PolarHBondContact O-N 2.9Å; S254-V375 CarbonylContact C-O 3.56Å; S254-V375 WeakPolarHBondContact CA-O 3.36Å
255	D	92.6	Very high	87.9	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	156.8	158.7	-166.1	29.5	0	0	0	110.5	T259 L299 K353 V375 N377	D255-T259 HydrophobicContact CB-CG2 4.45Å; D255-T259 WeakPolarHBondContact O-CB 3.24Å; D255-T259 WeakPolarHBondContact O-CG2 3.28Å; D255-L299 VanDerWaalsContact OD1-O 3.05Å; D255-K353 IonicContact OD1-NZ 3.54Å; D255-K353 PolarHBondContact OD1-NZ 2.93Å; D255-K353 IonicContact OD2-NZ 3.75Å; D255-K353 PolarHBondContact OD2-NZ 3.21Å; D255-V375 PolarHBondContact N-O 2.93Å; D255-N377 PolarHBondContact OD2-OD1 3Å; D255-N377 VanDerWaalsContact OD2-OD1 3.07Å
256	I	90	Very high	85.6	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.			trans	-100.1	-53.8	178.8	-63.1	173.1	0	0	0	111	G258 I260 T261 L266 L299 T310 L314 V329	I256-G258 PolarHBondContact O-N 3.02Å; I256-I260 HydrophobicContact CG1-CD1 4.24Å; I256-I260 PolarHBondContact O-N 2.84Å; I256-I260 VanDerWaalsContact O-N 3.15Å; I256-T261 PolarHBondContact O-N 3.31Å; I256-T261 VanDerWaalsContact O-N 3.16Å; I256-T261 PolarHBondContact O-OG1 2.78Å; I256-L266 HydrophobicContact CG2-CD1 4.46Å; I256-L299 WeakPolarHBondContact CG1-O 3.49Å; I256-L299 PolarHBondContact N-O 2.85Å; I256-L299 VanDerWaalsContact N-O 3.15Å; I256-T310 HydrophobicContact CD1-CG2 3.86Å; I256-L314 HydrophobicContact CD1-CD1 3.86Å; I256-L314 HydrophobicContact CD1-CD2 4.48Å; I256-L314 HydrophobicContact CG1-CD1 4.48Å; I256-L314 HydrophobicContact CG1-CD2 4.42Å; I256-L314 HydrophobicContact CG2-CD2 4.27Å; I256-V329 HydrophobicContact CD1-CG1 3.97Å
257	D	84.4	Confident	83.4	Confident	22 Å²	22	21.9 Å²	21.9	12%	0.118	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	124.5	-173.1	-63.2	-65.7	0	0	0	109.7	T259 T261 S300 R302 N377	D257-T259 PolarHBondContact O-N 2.68Å; D257-T261 WeakPolarHBondContact CA-OG1 3.25Å; D257-S300 PolarHBondContact OD2-OG 3.28Å; D257-R302 IonicContact OD1-CZ 3.51Å; D257-R302 IonicContact OD1-NE 2.87Å; D257-R302 IonicContact OD1-NH2 2.82Å; D257-R302 PolarHBondContact OD1-NH2 3.08Å; D257-R302 IonicContact OD2-NE 3.35Å; D257-N377 PolarHBondContact O-ND2 3.31Å; D257-N377 PolarHBondContact O-OD1 3.47Å
258	G	84	Confident	81.2	Confident	4 Å²	4	24.5 Å²	24.5	4%	0.041	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	-9.4	-176.4	0	0	0	0	0	116.8	I256 T261 S263	I256-G258 PolarHBondContact O-N 3.02Å; G258-T261 CarbonylContact C-O 3.51Å; G258-T261 WeakPolarHBondContact CA-O 3.22Å; G258-T261 PolarHBondContact N-OG1 2.94Å; G258-S263 PolarHBondContact N-O 2.65Å
259	T	89.1	Confident	78.9	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-62.9	178.2	-62.3	0	0	0	0	112.1	D255 D257 T261 Q279 V375 G376 N377 I398 Y415	D255-T259 HydrophobicContact CB-CG2 4.45Å; D255-T259 WeakPolarHBondContact O-CB 3.24Å; D255-T259 WeakPolarHBondContact O-CG2 3.28Å; D257-T259 PolarHBondContact O-N 2.68Å; T259-T261 PolarHBondContact N-O 2.6Å; T259-Q279 WeakPolarHBondContact O-CG 3.33Å; T259-V375 HydrophobicContact CG2-CB 4.28Å; T259-V375 HydrophobicContact CG2-CG1 3.69Å; T259-G376 WeakPolarHBondContact OG1-CA 3.42Å; T259-G376 PolarHBondContact OG1-O 3.01Å; T259-N377 WeakPolarHBondContact OG1-CB 3.4Å; T259-N377 PolarHBondContact OG1-N 3.28Å; T259-N377 VanDerWaalsContact OG1-N 3.17Å; T259-N377 PolarHBondContact OG1-OD1 3.29Å; T259-I398 HydrophobicContact CG2-CG1 4.31Å; T259-Y415 WeakPolarHBondContact CG2-OH 3.48Å; T259-Y415 PolarHBondContact O-OH 2.75Å
260	I	89.6	Confident	76.6	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-41.7	170.3	-71.6	164.9	0	0	0	109.9	I256 T278 Q279 V282 F286 Y298 L314 I317 L324	I256-I260 HydrophobicContact CG1-CD1 4.24Å; I256-I260 PolarHBondContact O-N 2.84Å; I256-I260 VanDerWaalsContact O-N 3.15Å; I260-T278 WeakPolarHBondContact O-CA 3.44Å; I260-Q279 PolarHBondContact O-N 2.83Å; I260-V282 HydrophobicContact CG1-CG2 4.26Å; I260-F286 HydrophobicContact CG1-CE2 4.31Å; I260-Y298 HydrophobicContact CD1-CD1 3.62Å; I260-Y298 HydrophobicContact CD1-CE1 3.6Å; I260-L314 HydrophobicContact CD1-CD2 4.01Å; I260-L314 HydrophobicContact CG2-CD2 4.43Å; I260-I317 HydrophobicContact CG2-CD1 3.67Å; I260-L324 HydrophobicContact CD1-CD1 4.2Å; I260-L324 HydrophobicContact CG2-CD1 3.7Å
261	T	84.1	Confident	74	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.025	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-85.5	150.9	175.4	54.6	0	0	0	0	110.4	I256 D257 G258 T259 S263 L266 Y313	I256-T261 PolarHBondContact O-N 3.31Å; I256-T261 VanDerWaalsContact O-N 3.16Å; I256-T261 PolarHBondContact O-OG1 2.78Å; D257-T261 WeakPolarHBondContact CA-OG1 3.25Å; G258-T261 CarbonylContact C-O 3.51Å; G258-T261 WeakPolarHBondContact CA-O 3.22Å; G258-T261 PolarHBondContact N-OG1 2.94Å; T259-T261 PolarHBondContact N-O 2.6Å; T261-S263 PolarHBondContact O-N 3.23Å; T261-S263 PolarHBondContact OG1-O 3.07Å; T261-S263 VanDerWaalsContact OG1-O 3.08Å; T261-L266 HydrophobicContact CG2-CB 4.27Å; T261-L266 HydrophobicContact CG2-CD1 3.72Å; T261-L266 HydrophobicContact CG2-CG 4.46Å; T261-Y313 HydrophobicContact CG2-CE1 3.81Å
262	K	82.7	Confident	71.8	Confident	79 Å²	79	36.9 Å²	36.9	34%	0.343	21%	0.21	S	C	.	.	S	Bend	trans	-68.9	-14.6	177.3	-72.3	-179.8	176.3	170.8	0	114	Q276 W277 T278	K262-Q276 WeakPolarHBondContact CE-O 3.29Å; K262-Q276 PolarHBondContact NZ-O 3.46Å; K262-W277 PolarHBondContact N-O 3.45Å; K262-T278 WeakPolarHBondContact CE-O 3.4Å
263	S	68.4	Low	69.6	Low	62 Å²	62	40.3 Å²	40.3	43%	0.434	23%	0.231	S	C	.	.	S	Bend	trans	-155.2	157.3	-173.4	-57.3	0	0	0	0	110.7	G258 T261 V265	G258-S263 PolarHBondContact N-O 2.65Å; T261-S263 PolarHBondContact O-N 3.23Å; T261-S263 PolarHBondContact OG1-O 3.07Å; T261-S263 VanDerWaalsContact OG1-O 3.08Å; S263-V265 PolarHBondContact O-N 3.32Å
264	D	60.3	Low	67.6	Low	73 Å²	73	42 Å²	42	39%	0.39	25%	0.248	S	C	.	.	S	Bend	trans	-65.8	-4.5	-179.1	-58.9	-30.4	0	0	0	114.1	N377 R378	D264-N377 PolarHBondContact OD1-ND2 2.79Å; D264-R378 IonicContact OD1-NH2 2.71Å; D264-R378 IonicContact OD2-CZ 3.77Å; D264-R378 IonicContact OD2-NE 3.65Å; D264-R378 IonicContact OD2-NH2 3.78Å; D264-R378 PolarHBondContact OD2-NH2 3Å
265	V	52.7	Low	65.9	Low	63 Å²	63	44.3 Å²	44.3	38%	0.382	27%	0.267	S	S	.	.			trans	-110	48.8	-163.5	-158.3	0	0	0	0	112.7	S263 G267 H268 I269	S263-V265 PolarHBondContact O-N 3.32Å; V265-G267 PolarHBondContact O-N 3.17Å; V265-G267 VanDerWaalsContact O-N 3.15Å; V265-H268 HydrophobicContact CG1-CB 3.64Å; V265-H268 WeakPolarHBondContact CG1-CD2 3.23Å; V265-H268 PolarHBondContact O-N 3.12Å; V265-I269 WeakPolarHBondContact O-CD1 3.4Å
266	L	50.8	Low	64.8	Low	9 Å²	9	51.8 Å²	51.8	5%	0.047	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.8	-18.1	172.2	165.8	-173.4	0	0	0	111	I256 T261 H268 I269 L270 R302 Y313	I256-L266 HydrophobicContact CG2-CD1 4.46Å; T261-L266 HydrophobicContact CG2-CB 4.27Å; T261-L266 HydrophobicContact CG2-CD1 3.72Å; T261-L266 HydrophobicContact CG2-CG 4.46Å; L266-H268 PolarHBondContact O-N 3.08Å; L266-I269 PolarHBondContact O-N 3.36Å; L266-L270 HydrophobicContact CD2-CD1 4.33Å; L266-L270 HydrophobicContact CD2-CD2 3.71Å; L266-L270 HydrophobicContact CD2-CG 3.92Å; L266-R302 VanDerWaalsContact CD1-NH2 3.34Å; L266-R302 VanDerWaalsContact CD2-NH2 3.31Å; L266-Y313 HydrophobicContact CD1-CD1 3.4Å; L266-Y313 HydrophobicContact CD1-CD2 4.39Å; L266-Y313 HydrophobicContact CD1-CE1 3.3Å; L266-Y313 HydrophobicContact CD1-CE2 4.33Å; L266-Y313 HydrophobicContact CD1-CG 3.96Å; L266-Y313 HydrophobicContact CG-CD1 4.26Å; L266-Y313 HydrophobicContact CG-CD2 4.41Å; L266-Y313 HydrophobicContact CG-CE1 4.11Å; L266-Y313 HydrophobicContact CG-CE2 4.28Å; L266-Y313 HydrophobicContact CG-CG 4.4Å
267	G	49.8	Very low	64	Low	34 Å²	34	56 Å²	56	35%	0.351	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-69	-12.7	172.5	0	0	0	0	0	117.8	V265	V265-G267 PolarHBondContact O-N 3.17Å; V265-G267 VanDerWaalsContact O-N 3.15Å
268	H	49.6	Very low	64.1	Low	106 Å²	106	55 Å²	55	49%	0.491	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-99.2	-11.9	174.7	-70.7	-3.8	0	0	0	113	F11 V265 L266	F11-H268 AromaticContact CD1-CE1 3.81Å; F11-H268 AromaticContact CD1-ND1 3.94Å; F11-H268 HydrophobicContact CE1-CB 4.22Å; F11-H268 AromaticContact CE1-CE1 3.13Å; F11-H268 WeakPolarHBondContact CE1-CE1 3.48Å; F11-H268 AromaticContact CE1-CG 3.57Å; F11-H268 AromaticContact CE1-ND1 2.87Å; F11-H268 WeakPolarHBondContact CE1-ND1 3.44Å; F11-H268 AromaticContact CE1-NE2 3.97Å; F11-H268 HydrophobicContact CZ-CB 3.64Å; F11-H268 AromaticContact CZ-CD2 3.65Å; F11-H268 AromaticContact CZ-CE1 3.4Å; F11-H268 WeakPolarHBondContact CZ-CE1 3.32Å; F11-H268 AromaticContact CZ-CG 3.19Å; F11-H268 AromaticContact CZ-ND1 3.06Å; F11-H268 WeakPolarHBondContact CZ-ND1 3.31Å; F11-H268 AromaticContact CZ-NE2 3.79Å; V265-H268 HydrophobicContact CG1-CB 3.64Å; V265-H268 WeakPolarHBondContact CG1-CD2 3.23Å; V265-H268 PolarHBondContact O-N 3.12Å; L266-H268 PolarHBondContact O-N 3.08Å
269	I	46.3	Very low	64.3	Low	32 Å²	32	55.1 Å²	55.1	16%	0.164	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-4.8	-158.2	-59.2	163.6	0	0	0	112	V265 L266 P271 M272 W277	V265-I269 WeakPolarHBondContact O-CD1 3.4Å; L266-I269 PolarHBondContact O-N 3.36Å; I269-P271 VanDerWaalsContact C-N 3.28Å; I269-P271 WeakPolarHBondContact O-CD 3.44Å; I269-M272 HydrophobicContact CG2-CB 4.29Å; I269-M272 WeakPolarHBondContact O-CA 3.37Å; I269-M272 PolarHBondContact O-N 3Å; I269-W277 HydrophobicContact CD1-CD2 4.25Å; I269-W277 HydrophobicContact CD1-CE3 3.69Å; I269-W277 HydrophobicContact CD1-CH2 3.92Å; I269-W277 HydrophobicContact CD1-CZ2 4.47Å; I269-W277 HydrophobicContact CD1-CZ3 3.51Å; I269-W277 HydrophobicContact CG1-CH2 4.3Å; I269-W277 HydrophobicContact CG1-CZ3 4.36Å; I269-W277 HydrophobicContact CG2-CD2 3.6Å; I269-W277 HydrophobicContact CG2-CE3 4.16Å; I269-W277 HydrophobicContact CG2-CG 3.88Å; I269-W277 HydrophobicContact CG2-CH2 4.27Å; I269-W277 HydrophobicContact CG2-CZ2 3.73Å; I269-W277 HydrophobicContact CG2-CZ3 4.46Å
270	L	47.2	Very low	64.3	Low	46 Å²	46	58.6 Å²	58.6	24%	0.241	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-31.6	-176.9	-82.3	164.7	0	0	0	116.7	L266 M272 Y313	L266-L270 HydrophobicContact CD2-CD1 4.33Å; L266-L270 HydrophobicContact CD2-CD2 3.71Å; L266-L270 HydrophobicContact CD2-CG 3.92Å; L270-M272 PolarHBondContact O-N 3.08Å; L270-Y313 HydrophobicContact CD2-CD2 4.49Å
271	P	43	Very low	64.4	Low	122 Å²	122	58.9 Å²	58.9	79%	0.792	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-16.4	173.2	-20.4	32.6	0	0	0	114.3	I269	I269-P271 VanDerWaalsContact C-N 3.28Å; I269-P271 WeakPolarHBondContact O-CD 3.44Å
272	M	51.6	Low	64.9	Low	115 Å²	115	58.7 Å²	58.7	57%	0.567	34%	0.338	S	S	*	.	S	Bend	trans	-112	72.8	-176.5	-69.2	-173.5	-84.6	0	0	111	I269 L270	I269-M272 HydrophobicContact CG2-CB 4.29Å; I269-M272 WeakPolarHBondContact O-CA 3.37Å; I269-M272 PolarHBondContact O-N 3Å; L270-M272 PolarHBondContact O-N 3.08Å
273	V	51.7	Low	65.4	Low	72 Å²	72	55 Å²	55	44%	0.436	32%	0.322	S	S	.	.			trans	-70.9	123.8	174	-176.5	0	0	0	0	110.2	W316	V273-W316 HydrophobicContact CB-CE3 4.46Å; V273-W316 HydrophobicContact CG1-CB 3.86Å; V273-W316 HydrophobicContact CG1-CD2 4.33Å; V273-W316 HydrophobicContact CG1-CE3 3.86Å; V273-W316 HydrophobicContact CG1-CG 4.4Å; V273-W316 HydrophobicContact CG2-CE3 3.77Å; V273-W316 HydrophobicContact CG2-CZ3 3.89Å
274	G	56.7	Low	66.7	Low	36 Å²	36	55.8 Å²	55.8	37%	0.371	32%	0.319	S	S	.	.	S	Bend	trans	170.3	160.7	173.5	0	0	0	0	0	114.9	Q276 W277	G274-Q276 PolarHBondContact O-N 3.03Å; G274-W277 PolarHBondContact O-N 3.33Å
275	A	59.8	Low	68.4	Low	48 Å²	48	52.3 Å²	52.3	40%	0.397	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-54.8	-18.7	-178.7	0	0	0	0	0	114.7	W277 T278 K318	A275-W277 PolarHBondContact O-N 3.01Å; A275-T278 PolarHBondContact O-N 3.47Å; A275-T278 PolarHBondContact O-OG1 3.45Å; A275-K318 WeakPolarHBondContact CB-O 3.38Å
276	Q	68.1	Low	70.5	Confident	161 Å²	161	49.3 Å²	49.3	75%	0.752	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-66	-23.2	-175.9	-160.2	163.7	14.5	0	0	113.4	K262 G274	K262-Q276 WeakPolarHBondContact CE-O 3.29Å; K262-Q276 PolarHBondContact NZ-O 3.46Å; G274-Q276 PolarHBondContact O-N 3.03Å
277	W	74.5	Confident	72.7	Confident	88 Å²	88	49.8 Å²	49.8	33%	0.333	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-98.4	-3.1	-179.1	-61.6	105.5	0	0	0	114.4	K262 I269 G274 A275	K262-W277 PolarHBondContact N-O 3.45Å; I269-W277 HydrophobicContact CD1-CD2 4.25Å; I269-W277 HydrophobicContact CD1-CE3 3.69Å; I269-W277 HydrophobicContact CD1-CH2 3.92Å; I269-W277 HydrophobicContact CD1-CZ2 4.47Å; I269-W277 HydrophobicContact CD1-CZ3 3.51Å; I269-W277 HydrophobicContact CG1-CH2 4.3Å; I269-W277 HydrophobicContact CG1-CZ3 4.36Å; I269-W277 HydrophobicContact CG2-CD2 3.6Å; I269-W277 HydrophobicContact CG2-CE3 4.16Å; I269-W277 HydrophobicContact CG2-CG 3.88Å; I269-W277 HydrophobicContact CG2-CH2 4.27Å; I269-W277 HydrophobicContact CG2-CZ2 3.73Å; I269-W277 HydrophobicContact CG2-CZ3 4.46Å; G274-W277 PolarHBondContact O-N 3.33Å; A275-W277 PolarHBondContact O-N 3.01Å
278	T	86.2	Confident	75	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.012	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-99.2	149.7	177.1	56.3	0	0	0	0	111.2	I260 K262 A275 I317 Q319	I260-T278 WeakPolarHBondContact O-CA 3.44Å; K262-T278 WeakPolarHBondContact CE-O 3.4Å; A275-T278 PolarHBondContact O-N 3.47Å; A275-T278 PolarHBondContact O-OG1 3.45Å; T278-I317 HydrophobicContact CG2-CB 4.38Å; T278-I317 HydrophobicContact CG2-CD1 3.53Å; T278-I317 HydrophobicContact CG2-CG1 3.65Å; T278-I317 HydrophobicContact CG2-CG2 3.83Å; T278-Q319 PolarHBondContact OG1-NE2 3.4Å
279	Q	88.1	Confident	77.3	Confident	6 Å²	6	47.6 Å²	47.6	3%	0.028	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-60.2	137.7	173.9	-67.2	-68.7	7.8	0	0	110.8	T259 I260 G281 V282 Q319 I398 N399 G402 Y415	T259-Q279 WeakPolarHBondContact O-CG 3.33Å; I260-Q279 PolarHBondContact O-N 2.83Å; Q279-G281 PolarHBondContact O-N 2.81Å; Q279-V282 HydrophobicContact CB-CB 4.29Å; Q279-V282 WeakPolarHBondContact O-CB 3.46Å; Q279-V282 WeakPolarHBondContact O-CG1 3.2Å; Q279-V282 PolarHBondContact O-N 2.82Å; Q279-Q319 PolarHBondContact O-NE2 3.43Å; Q279-I398 HydrophobicContact CG-CG2 4.36Å; Q279-N399 PolarHBondContact NE2-O 3.43Å; Q279-G402 VanDerWaalsContact OE1-CA 3.24Å; Q279-Y415 HydrophobicContact CB-CD2 3.72Å; Q279-Y415 HydrophobicContact CB-CE2 3.62Å; Q279-Y415 HydrophobicContact CG-CD2 4.41Å; Q279-Y415 HydrophobicContact CG-CE2 3.96Å
280	S	89.6	Confident	79.7	Confident	72 Å²	72	48 Å²	48	50%	0.503	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	131.9	-177.9	-172.9	0	0	0	0	111	V282 Y415 Q416	S280-V282 VanDerWaalsContact C-N 3.27Å; S280-V282 PolarHBondContact O-N 3.29Å; S280-Y415 WeakPolarHBondContact O-CB 3.36Å; S280-Q416 PolarHBondContact OG-NE2 3.28Å
281	G	91.4	Very high	82	Confident	7 Å²	7	51.6 Å²	51.6	7%	0.072	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-1.9	178.7	0	0	0	0	0	115	Q279 T283 E284 F285 Q319	Q279-G281 PolarHBondContact O-N 2.81Å; G281-T283 VanDerWaalsContact C-N 3.3Å; G281-T283 PolarHBondContact O-N 2.96Å; G281-E284 PolarHBondContact O-N 3.24Å; G281-F285 PolarHBondContact O-N 2.95Å; G281-Q319 VanDerWaalsContact N-OE1 3.11Å
282	V	93.4	Very high	84.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-37.5	-178.5	70.4	0	0	0	0	112.9	I260 Q279 S280 F286 Q319 L324 Y415	I260-V282 HydrophobicContact CG1-CG2 4.26Å; Q279-V282 HydrophobicContact CB-CB 4.29Å; Q279-V282 WeakPolarHBondContact O-CB 3.46Å; Q279-V282 WeakPolarHBondContact O-CG1 3.2Å; Q279-V282 PolarHBondContact O-N 2.82Å; S280-V282 VanDerWaalsContact C-N 3.27Å; S280-V282 PolarHBondContact O-N 3.29Å; V282-F286 HydrophobicContact CG2-CD2 3.74Å; V282-F286 HydrophobicContact CG2-CE2 3.71Å; V282-F286 WeakPolarHBondContact O-CD2 3.29Å; V282-F286 PolarHBondContact O-N 3.09Å; V282-Q319 VanDerWaalsContact N-OE1 3.14Å; V282-L324 HydrophobicContact CG2-CD2 4.38Å; V282-Y415 HydrophobicContact CB-CD1 4.44Å; V282-Y415 HydrophobicContact CB-CD2 4.31Å; V282-Y415 HydrophobicContact CB-CE1 4.39Å; V282-Y415 HydrophobicContact CB-CE2 4.22Å; V282-Y415 HydrophobicContact CB-CG 4.4Å; V282-Y415 HydrophobicContact CG2-CD1 4.36Å; V282-Y415 HydrophobicContact CG2-CE1 3.85Å; V282-Y415 HydrophobicContact CG2-CE2 4.07Å
283	T	94.8	Very high	86.6	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	24%	0.238	C	C	.	.	H	α-helix	trans	-69.8	-42.1	179.2	58.2	0	0	0	0	111.1	G281 S287 I317 Q319 L324	G281-T283 VanDerWaalsContact C-N 3.3Å; G281-T283 PolarHBondContact O-N 2.96Å; T283-S287 WeakPolarHBondContact O-CB 3.42Å; T283-S287 PolarHBondContact O-N 3.38Å; T283-S287 PolarHBondContact O-OG 3.38Å; T283-I317 HydrophobicContact CG2-CG2 3.63Å; T283-Q319 HydrophobicContact CG2-CB 4.32Å; T283-Q319 HydrophobicContact CG2-CG 3.79Å; T283-Q319 VanDerWaalsContact N-OE1 3.15Å; T283-Q319 VanDerWaalsContact OG1-CB 3.3Å; T283-Q319 WeakPolarHBondContact OG1-CB 3.47Å; T283-Q319 PolarHBondContact OG1-OE1 2.77Å; T283-Q319 VanDerWaalsContact OG1-OE1 3.06Å; T283-L324 HydrophobicContact CG2-CD2 4.13Å; T283-L324 HydrophobicContact CG2-CG 4.1Å
284	E	95.3	Very high	88.8	Confident	79 Å²	79	39 Å²	39	37%	0.369	22%	0.218	S	C	.	.	H	α-helix	trans	-64.8	-45.9	180	-169.4	176.5	-179.7	0	0	111.1	G281 F286 S287 R288 L322 T419	G281-E284 PolarHBondContact O-N 3.24Å; E284-F286 PolarHBondContact O-N 3.44Å; E284-S287 PolarHBondContact O-N 3.35Å; E284-R288 WeakPolarHBondContact O-CG 3.35Å; E284-R288 PolarHBondContact O-N 3.47Å; E284-R288 IonicContact OE1-NH2 3.98Å; E284-L322 HydrophobicContact CB-CD1 4.09Å; E284-L322 HydrophobicContact CG-CD1 4.01Å; E284-T419 HydrophobicContact CB-CG2 4.43Å; E284-T419 HydrophobicContact CG-CG2 3.76Å
285	F	95.7	Very high	90.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-54.1	-55.7	175.5	172.7	-107.9	0	0	0	112	G281 S287 R288 V289 V375 Y415 L418 T419 V422 F426	G281-F285 PolarHBondContact O-N 2.95Å; F285-S287 PolarHBondContact O-N 3.43Å; F285-R288 PolarHBondContact O-N 3.28Å; F285-V289 HydrophobicContact CD2-CG2 4.39Å; F285-V289 HydrophobicContact CE1-CG2 4.22Å; F285-V289 HydrophobicContact CE2-CG2 3.95Å; F285-V289 HydrophobicContact CZ-CG2 3.87Å; F285-V289 WeakPolarHBondContact O-CG2 3.49Å; F285-V289 PolarHBondContact O-N 3.14Å; F285-V375 HydrophobicContact CE1-CG2 4.18Å; F285-Y415 HydrophobicContact CB-CD1 3.96Å; F285-Y415 AromaticContact CD1-CD1 3.75Å; F285-Y415 HydrophobicContact CD1-CD1 3.75Å; F285-Y415 AromaticContact CD1-CE1 3.74Å; F285-Y415 HydrophobicContact CD1-CE1 3.74Å; F285-Y415 HydrophobicContact CE1-CD1 4.49Å; F285-Y415 HydrophobicContact CE1-CE1 4.24Å; F285-Y415 AromaticContact CG-CD1 3.91Å; F285-Y415 HydrophobicContact CG-CD1 3.91Å; F285-Y415 HydrophobicContact CG-CE1 4.37Å; F285-L418 HydrophobicContact CD2-CB 3.76Å; F285-L418 HydrophobicContact CE2-CB 3.72Å; F285-L418 HydrophobicContact CE2-CD1 4.28Å; F285-L418 HydrophobicContact CZ-CD1 4.34Å; F285-T419 WeakPolarHBondContact CA-OG1 3.3Å; F285-T419 WeakPolarHBondContact CB-OG1 3.37Å; F285-V422 HydrophobicContact CE2-CG2 4.45Å; F285-F426 AromaticContact CE2-CE2 3.95Å; F285-F426 HydrophobicContact CE2-CE2 3.95Å; F285-F426 AromaticContact CZ-CE2 3.74Å; F285-F426 HydrophobicContact CZ-CE2 3.74Å; F285-F426 HydrophobicContact CZ-CZ 4.22Å
286	F	97.6	Very high	92.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.7	-32.4	-178.1	-79.3	-62.1	0	0	0	113	V252 S254 I260 V282 E284 V289 V290 V296 L324 P325 V375 Y415	V252-F286 HydrophobicContact CG1-CE1 4.26Å; S254-F286 VanDerWaalsContact CB-CZ 3.49Å; S254-F286 WeakPolarHBondContact OG-CZ 3.39Å; I260-F286 HydrophobicContact CG1-CE2 4.31Å; V282-F286 HydrophobicContact CG2-CD2 3.74Å; V282-F286 HydrophobicContact CG2-CE2 3.71Å; V282-F286 WeakPolarHBondContact O-CD2 3.29Å; V282-F286 PolarHBondContact O-N 3.09Å; E284-F286 PolarHBondContact O-N 3.44Å; F286-V289 PolarHBondContact O-N 2.91Å; F286-V290 WeakPolarHBondContact O-CG2 3.32Å; F286-V290 PolarHBondContact O-N 3.42Å; F286-V290 VanDerWaalsContact O-N 3.11Å; F286-V296 HydrophobicContact CD1-CG1 4.02Å; F286-V296 HydrophobicContact CD1-CG2 3.71Å; F286-V296 HydrophobicContact CE1-CG1 4Å; F286-V296 HydrophobicContact CE1-CG2 4.32Å; F286-L324 HydrophobicContact CB-CD2 4.45Å; F286-L324 HydrophobicContact CD2-CD2 3.94Å; F286-P325 HydrophobicContact CB-CG 3.81Å; F286-V375 HydrophobicContact CE1-CG2 4.34Å; F286-V375 HydrophobicContact CZ-CB 4.29Å; F286-V375 HydrophobicContact CZ-CG2 4.12Å; F286-Y415 HydrophobicContact CE2-CE1 4.39Å
287	S	97.1	Very high	94	Very high	18 Å²	18	32.1 Å²	32.1	13%	0.126	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-50	171.7	-67.8	0	0	0	0	110.9	T283 E284 F285 V289 V290 D291 G323	T283-S287 WeakPolarHBondContact O-CB 3.42Å; T283-S287 PolarHBondContact O-N 3.38Å; T283-S287 PolarHBondContact O-OG 3.38Å; E284-S287 PolarHBondContact O-N 3.35Å; F285-S287 PolarHBondContact O-N 3.43Å; S287-V289 VanDerWaalsContact C-N 3.32Å; S287-V289 PolarHBondContact O-N 3.15Å; S287-V290 PolarHBondContact O-N 3.48Å; S287-V290 VanDerWaalsContact O-N 3.09Å; S287-D291 PolarHBondContact O-N 2.97Å; S287-G323 PolarHBondContact OG-O 3.44Å
288	R	97	Very high	95.1	Very high	95 Å²	95	28 Å²	28	36%	0.358	15%	0.149	S	C	.	.	H	α-helix	trans	-61.2	-38.6	178.4	-68.2	-67.4	-163.7	102.8	12.7	113.1	E284 F285 V290 D291 N292 T419 V422	E284-R288 WeakPolarHBondContact O-CG 3.35Å; E284-R288 PolarHBondContact O-N 3.47Å; E284-R288 IonicContact OE1-NH2 3.98Å; F285-R288 PolarHBondContact O-N 3.28Å; R288-V290 VanDerWaalsContact C-N 3.31Å; R288-V290 PolarHBondContact O-N 2.96Å; R288-D291 PolarHBondContact O-N 3.01Å; R288-N292 PolarHBondContact O-N 3.21Å; R288-T419 HydrophobicContact CG-CG2 4.28Å; R288-V422 HydrophobicContact CB-CB 4.26Å; R288-V422 HydrophobicContact CB-CG1 3.71Å; R288-V422 HydrophobicContact CB-CG2 3.82Å; R288-V422 HydrophobicContact CG-CG1 4.16Å
289	V	97.4	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.6	-42.7	174.5	168.6	0	0	0	0	111.2	V252 F285 F286 S287 N292 Y294 V296 V422 F426	V252-V289 HydrophobicContact CB-CG1 4.38Å; V252-V289 HydrophobicContact CG2-CG1 3.78Å; F285-V289 HydrophobicContact CD2-CG2 4.39Å; F285-V289 HydrophobicContact CE1-CG2 4.22Å; F285-V289 HydrophobicContact CE2-CG2 3.95Å; F285-V289 HydrophobicContact CZ-CG2 3.87Å; F285-V289 WeakPolarHBondContact O-CG2 3.49Å; F285-V289 PolarHBondContact O-N 3.14Å; F286-V289 PolarHBondContact O-N 2.91Å; S287-V289 VanDerWaalsContact C-N 3.32Å; S287-V289 PolarHBondContact O-N 3.15Å; V289-N292 PolarHBondContact O-N 3.46Å; V289-Y294 HydrophobicContact CG1-CG 4.39Å; V289-Y294 WeakPolarHBondContact O-CB 3.42Å; V289-Y294 WeakPolarHBondContact O-CD2 3.29Å; V289-Y294 PolarHBondContact O-N 2.79Å; V289-V296 HydrophobicContact CG1-CG2 4.5Å; V289-V422 HydrophobicContact CG2-CG2 3.83Å; V289-F426 HydrophobicContact CG1-CD1 4.17Å; V289-F426 HydrophobicContact CG1-CE1 4.32Å; V289-F426 HydrophobicContact CG1-CG 4.49Å; V289-F426 HydrophobicContact CG2-CD1 4.38Å; V289-F426 HydrophobicContact CG2-CD2 3.77Å; V289-F426 HydrophobicContact CG2-CE1 4.49Å; V289-F426 HydrophobicContact CG2-CE2 3.9Å; V289-F426 HydrophobicContact CG2-CG 4.02Å; V289-F426 HydrophobicContact CG2-CZ 4.27Å
290	V	97.4	Very high	95.2	Very high	39 Å²	39	27.7 Å²	27.7	24%	0.236	15%	0.147	C	C	.	.	H	α-helix	trans	-73.5	-36.1	178	172.8	0	0	0	0	112.2	F286 S287 R288 N292 G293 V296 P325	F286-V290 WeakPolarHBondContact O-CG2 3.32Å; F286-V290 PolarHBondContact O-N 3.42Å; F286-V290 VanDerWaalsContact O-N 3.11Å; S287-V290 PolarHBondContact O-N 3.48Å; S287-V290 VanDerWaalsContact O-N 3.09Å; R288-V290 VanDerWaalsContact C-N 3.31Å; R288-V290 PolarHBondContact O-N 2.96Å; V290-N292 PolarHBondContact O-N 3.48Å; V290-G293 PolarHBondContact O-N 3.12Å; V290-V296 HydrophobicContact CG2-CG2 3.76Å; V290-P325 HydrophobicContact CB-CB 4.24Å; V290-P325 HydrophobicContact CG1-CB 4.48Å; V290-P325 HydrophobicContact CG2-CB 3.65Å; V290-P325 HydrophobicContact CG2-CG 3.73Å
291	D	96.1	Very high	94.5	Very high	123 Å²	123	26.4 Å²	26.4	66%	0.658	14%	0.141	S	C	*	.	H	α-helix	trans	-59.6	-32.8	173.8	-66.3	-23	0	0	0	111.3	S287 R288 G293	S287-D291 PolarHBondContact O-N 2.97Å; R288-D291 PolarHBondContact O-N 3.01Å; D291-G293 PolarHBondContact O-N 3.23Å
292	N	96.1	Very high	93.9	Very high	17 Å²	17	27.6 Å²	27.6	9%	0.091	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	7.5	173.5	-70.6	-6.5	0	0	0	114.1	R288 V289 V290 Y294 D423 F426 L429	R288-N292 PolarHBondContact O-N 3.21Å; V289-N292 PolarHBondContact O-N 3.46Å; V290-N292 PolarHBondContact O-N 3.48Å; N292-Y294 HydrophobicContact CB-CD2 4.01Å; N292-Y294 HydrophobicContact CB-CE2 4.03Å; N292-D423 PolarHBondContact ND2-OD1 2.93Å; N292-F426 WeakPolarHBondContact CB-O 3.44Å; N292-F426 PolarHBondContact ND2-O 3.37Å; N292-L429 PolarHBondContact O-N 2.63Å
293	G	95.4	Very high	93.1	Very high	25 Å²	25	27.7 Å²	27.7	26%	0.258	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	4.6	172.1	0	0	0	0	0	115.7	V290 D291	V290-G293 PolarHBondContact O-N 3.12Å; D291-G293 PolarHBondContact O-N 3.23Å
294	Y	97.7	Very high	92.2	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	14%	0.144	C	C	.	.			trans	-81.4	161.3	173.5	-59.5	-98.9	0	0	0	110.9	K250 V252 V289 N292 Y372 F426 P427 L429	K250-Y294 HydrophobicContact CB-CD1 3.64Å; K250-Y294 HydrophobicContact CB-CE1 3.99Å; V252-Y294 HydrophobicContact CG2-CD1 4.41Å; V252-Y294 HydrophobicContact CG2-CG 4.5Å; V289-Y294 HydrophobicContact CG1-CG 4.39Å; V289-Y294 WeakPolarHBondContact O-CB 3.42Å; V289-Y294 WeakPolarHBondContact O-CD2 3.29Å; V289-Y294 PolarHBondContact O-N 2.79Å; N292-Y294 HydrophobicContact CB-CD2 4.01Å; N292-Y294 HydrophobicContact CB-CE2 4.03Å; Y294-Y372 AromaticContact CD1-CD1 3.94Å; Y294-Y372 HydrophobicContact CD1-CD1 3.94Å; Y294-Y372 HydrophobicContact CD1-CE1 4.39Å; Y294-Y372 AromaticContact CD1-CG 4Å; Y294-Y372 HydrophobicContact CD1-CG 4Å; Y294-Y372 AromaticContact CE1-CD1 3.45Å; Y294-Y372 HydrophobicContact CE1-CD1 3.45Å; Y294-Y372 VanDerWaalsContact CE1-CD1 3.45Å; Y294-Y372 AromaticContact CE1-CD2 3.72Å; Y294-Y372 HydrophobicContact CE1-CD2 3.72Å; Y294-Y372 AromaticContact CE1-CE1 3.54Å; Y294-Y372 HydrophobicContact CE1-CE1 3.54Å; Y294-Y372 AromaticContact CE1-CE2 3.8Å; Y294-Y372 HydrophobicContact CE1-CE2 3.8Å; Y294-Y372 AromaticContact CE1-CG 3.53Å; Y294-Y372 HydrophobicContact CE1-CG 3.53Å; Y294-Y372 AromaticContact CE1-CZ 3.7Å; Y294-Y372 AromaticContact CZ-CE1 3.9Å; Y294-Y372 AromaticContact CZ-CZ 3.89Å; Y294-Y372 PolarHBondContact OH-OH 2.76Å; Y294-F426 HydrophobicContact CD1-CD1 4.17Å; Y294-F426 HydrophobicContact CD2-CB 4Å; Y294-F426 HydrophobicContact CD2-CD1 4.23Å; Y294-F426 HydrophobicContact CE1-CD1 4.19Å; Y294-F426 HydrophobicContact CE2-CB 3.62Å; Y294-F426 HydrophobicContact CE2-CD1 4.27Å; Y294-F426 HydrophobicContact CE2-CG 4.47Å; Y294-F426 HydrophobicContact CG-CD1 4.21Å; Y294-P427 VanDerWaalsContact CE2-O 3.24Å; Y294-P427 WeakPolarHBondContact CE2-O 3.44Å; Y294-P427 WeakPolarHBondContact OH-CD 3.34Å; Y294-P427 PolarHBondContact OH-O 3.41Å; Y294-L429 HydrophobicContact CD1-CD1 3.94Å; Y294-L429 HydrophobicContact CD2-CD1 4.11Å; Y294-L429 HydrophobicContact CD2-CG 4.33Å; Y294-L429 HydrophobicContact CE1-CD1 3.76Å; Y294-L429 HydrophobicContact CE1-CD2 4.44Å; Y294-L429 HydrophobicContact CE1-CG 4.26Å; Y294-L429 HydrophobicContact CE2-CD1 3.93Å; Y294-L429 HydrophobicContact CE2-CD2 4.38Å; Y294-L429 HydrophobicContact CE2-CG 3.77Å; Y294-L429 HydrophobicContact CG-CD1 4.1Å
295	R	97.8	Very high	91	Very high	97 Å²	97	24.5 Å²	24.5	37%	0.366	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.5	177	-59.1	-60.2	-173.4	-172.1	-1.8	110.4	W245 D249 K250 L251 V252	W245-R295 HydrophobicContact CD2-CB 4.46Å; W245-R295 HydrophobicContact CD2-CG 4.18Å; W245-R295 HydrophobicContact CE3-CB 4.13Å; W245-R295 HydrophobicContact CE3-CG 4.24Å; W245-R295 HydrophobicContact CH2-CB 3.57Å; W245-R295 HydrophobicContact CH2-CG 4.25Å; W245-R295 HydrophobicContact CZ2-CB 3.9Å; W245-R295 HydrophobicContact CZ2-CG 4.15Å; W245-R295 HydrophobicContact CZ3-CB 3.71Å; W245-R295 HydrophobicContact CZ3-CG 4.3Å; D249-R295 HydrophobicContact CB-CG 4.26Å; K250-R295 PolarHBondContact O-N 2.96Å; L251-R295 CarbonylContact C-O 3.49Å; L251-R295 VanDerWaalsContact CA-O 3.31Å; L251-R295 WeakPolarHBondContact CA-O 3.35Å; L251-R295 HydrophobicContact CD2-CB 3.8Å; V252-R295 PolarHBondContact N-O 2.71Å
296	V	98.2	Very high	90.1	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.9	177.9	-175	0	0	0	0	109.4	V252 F286 V289 V290 Y298 P325 G327	V252-V296 WeakPolarHBondContact O-CA 3.34Å; F286-V296 HydrophobicContact CD1-CG1 4.02Å; F286-V296 HydrophobicContact CD1-CG2 3.71Å; F286-V296 HydrophobicContact CE1-CG1 4Å; F286-V296 HydrophobicContact CE1-CG2 4.32Å; V289-V296 HydrophobicContact CG1-CG2 4.5Å; V290-V296 HydrophobicContact CG2-CG2 3.76Å; V296-Y298 HydrophobicContact CG1-CD1 4.17Å; V296-Y298 HydrophobicContact CG1-CE1 3.55Å; V296-Y298 HydrophobicContact CG1-CE2 4.1Å; V296-P325 HydrophobicContact CG2-CG 4.15Å; V296-G327 WeakPolarHBondContact O-CA 3.34Å
297	I	98	Very high	89.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143	166.6	67.5	169.3	0	0	0	109.1	W245 L251 V252 I253 S254 P328 F330 L357 I360 F371	W245-I297 HydrophobicContact CH2-CG2 3.87Å; W245-I297 HydrophobicContact CZ3-CG2 3.73Å; L251-I297 HydrophobicContact CD1-CG2 4.38Å; L251-I297 HydrophobicContact CD2-CG2 4.49Å; V252-I297 PolarHBondContact O-N 3.5Å; I253-I297 HydrophobicContact CB-CG1 4.43Å; I253-I297 HydrophobicContact CG1-CD1 4.19Å; I253-I297 HydrophobicContact CG1-CG1 4.28Å; I253-I297 HydrophobicContact CG2-CG1 4.44Å; S254-I297 PolarHBondContact N-O 2.81Å; I297-P328 HydrophobicContact CB-CG 4.16Å; I297-P328 HydrophobicContact CG2-CG 3.67Å; I297-F330 HydrophobicContact CB-CE2 4.2Å; I297-F330 HydrophobicContact CD1-CE2 4.49Å; I297-F330 HydrophobicContact CG2-CE2 4.38Å; I297-L357 HydrophobicContact CD1-CD2 4.05Å; I297-I360 HydrophobicContact CD1-CD1 3.86Å; I297-F371 HydrophobicContact CD1-CE1 3.91Å
298	Y	96.3	Very high	88.9	Confident	3 Å²	3	28.4 Å²	28.4	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.6	-178.3	-59.6	-73.5	0	0	0	110.7	S254 I260 V296 L314 P325 P328 V329 F330	S254-Y298 CarbonylContact O-C 3.51Å; S254-Y298 WeakPolarHBondContact O-CA 3.35Å; I260-Y298 HydrophobicContact CD1-CD1 3.62Å; I260-Y298 HydrophobicContact CD1-CE1 3.6Å; V296-Y298 HydrophobicContact CG1-CD1 4.17Å; V296-Y298 HydrophobicContact CG1-CE1 3.55Å; V296-Y298 HydrophobicContact CG1-CE2 4.1Å; Y298-L314 HydrophobicContact CD2-CD1 4.24Å; Y298-L314 HydrophobicContact CG-CD1 4.15Å; Y298-P325 PolarHBondContact OH-O 3.12Å; Y298-P328 PolarHBondContact N-O 2.93Å; Y298-V329 HydrophobicContact CD2-CG2 4.31Å; Y298-F330 PolarHBondContact O-N 3.44Å
299	L	91.6	Very high	88.1	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	141.2	174.9	-59	-178.5	0	0	0	110	I253 S254 D255 I256 F330 L357 Y385	I253-L299 HydrophobicContact CG2-CD1 3.51Å; I253-L299 HydrophobicContact CG2-CG 3.89Å; S254-L299 PolarHBondContact O-N 2.9Å; D255-L299 VanDerWaalsContact OD1-O 3.05Å; I256-L299 WeakPolarHBondContact CG1-O 3.49Å; I256-L299 PolarHBondContact N-O 2.85Å; I256-L299 VanDerWaalsContact N-O 3.15Å; L299-F330 HydrophobicContact CD2-CB 3.8Å; L299-F330 HydrophobicContact CD2-CD2 4.18Å; L299-F330 HydrophobicContact CD2-CG 4.36Å; L299-L357 HydrophobicContact CD1-CD1 3.87Å; L299-L357 HydrophobicContact CD1-CD2 3.88Å; L299-L357 HydrophobicContact CD1-CG 3.81Å; L299-L357 HydrophobicContact CD2-CD2 4.45Å; L299-Y385 HydrophobicContact CD1-CE1 4.13Å
300	S	84.4	Confident	87.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145.3	163	171.6	0	0	0	0	110.1	D257 R302 F330 L331 F352	D257-S300 PolarHBondContact OD2-OG 3.28Å; S300-R302 PolarHBondContact O-N 3.15Å; S300-R302 WeakPolarHBondContact OG-CD 3.27Å; S300-R302 VanDerWaalsContact OG-CG 3.27Å; S300-R302 WeakPolarHBondContact OG-CG 3.48Å; S300-R302 PolarHBondContact OG-N 2.92Å; S300-F330 PolarHBondContact N-O 2.89Å; S300-L331 WeakPolarHBondContact O-CA 3.47Å; S300-F352 VanDerWaalsContact O-CE1 3.32Å; S300-F352 WeakPolarHBondContact O-CE1 3.29Å
301	A	76.8	Confident	87.1	Confident	45 Å²	45	27.5 Å²	27.5	37%	0.372	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	-2.3	176.2	0	0	0	0	0	113.3	S332	A301-S332 WeakPolarHBondContact O-CB 3.33Å
302	R	78.6	Confident	86.7	Confident	32 Å²	32	23.3 Å²	23.3	12%	0.121	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	152.9	179.1	-74.6	175	-173.3	179	1.8	113.1	D257 L266 S300 T310 L331 S332	D257-R302 IonicContact OD1-CZ 3.51Å; D257-R302 IonicContact OD1-NE 2.87Å; D257-R302 IonicContact OD1-NH2 2.82Å; D257-R302 PolarHBondContact OD1-NH2 3.08Å; D257-R302 IonicContact OD2-NE 3.35Å; L266-R302 VanDerWaalsContact CD1-NH2 3.34Å; L266-R302 VanDerWaalsContact CD2-NH2 3.31Å; S300-R302 PolarHBondContact O-N 3.15Å; S300-R302 WeakPolarHBondContact OG-CD 3.27Å; S300-R302 VanDerWaalsContact OG-CG 3.27Å; S300-R302 WeakPolarHBondContact OG-CG 3.48Å; S300-R302 PolarHBondContact OG-N 2.92Å; R302-T310 PolarHBondContact NH1-OG1 2.73Å; R302-L331 HydrophobicContact CB-CD2 4.15Å; R302-L331 WeakPolarHBondContact O-CB 3.38Å; R302-S332 WeakPolarHBondContact O-CB 3.38Å; R302-S332 PolarHBondContact O-N 2.89Å
303	A	75.6	Confident	86.1	Confident	2 Å²	2	23.4 Å²	23.4	2%	0.017	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	151.7	177.7	0	0	0	0	0	112.7	G305 Q306 T334 L336 A339	A303-G305 PolarHBondContact O-N 3.47Å; A303-Q306 PolarHBondContact O-N 3.16Å; A303-T334 WeakPolarHBondContact CB-O 3.42Å; A303-L336 VanDerWaalsContact CB-CA 3.44Å; A303-L336 HydrophobicContact CB-CB 3.74Å; A303-L336 HydrophobicContact CB-CG 4.39Å; A303-A339 HydrophobicContact CB-CB 3.96Å
304	I	75.8	Confident	85.8	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.015	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-49.9	-32.8	175.1	-173	172.7	0	0	0	114.1	G25 V27 Y45 R47 Q306 S307 S332	G25-I304 WeakPolarHBondContact O-CD1 3.44Å; V27-I304 HydrophobicContact CG2-CB 4.3Å; V27-I304 HydrophobicContact CG2-CD1 3.93Å; V27-I304 HydrophobicContact CG2-CG1 3.87Å; Y45-I304 VanDerWaalsContact O-CD1 3.26Å; Y45-I304 WeakPolarHBondContact O-CD1 3.38Å; R47-I304 HydrophobicContact CB-CD1 4.14Å; R47-I304 HydrophobicContact CB-CG2 4.32Å; I304-Q306 PolarHBondContact O-N 2.86Å; I304-Q306 VanDerWaalsContact O-N 3.13Å; I304-S307 WeakPolarHBondContact O-CB 3.49Å; I304-S307 PolarHBondContact O-N 2.83Å; I304-S307 PolarHBondContact O-OG 2.93Å; I304-S332 PolarHBondContact N-O 3.26Å; I304-S332 VanDerWaalsContact N-O 3.1Å
305	G	71.4	Confident	85.4	Confident	10 Å²	10	27.7 Å²	27.7	10%	0.103	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-63.6	-17.7	178.7	0	0	0	0	0	114.6	A303	A303-G305 PolarHBondContact O-N 3.47Å
306	Q	75.4	Confident	84.9	Confident	39 Å²	39	30.5 Å²	30.5	18%	0.182	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-101.4	13	176.2	-61.9	179.4	-50.9	0	0	112.3	A303 I304 Q308 W309 T310 L336	A303-Q306 PolarHBondContact O-N 3.16Å; I304-Q306 PolarHBondContact O-N 2.86Å; I304-Q306 VanDerWaalsContact O-N 3.13Å; Q306-Q308 PolarHBondContact O-N 3.33Å; Q306-W309 HydrophobicContact CB-CE3 4.41Å; Q306-W309 HydrophobicContact CG-CE3 4.24Å; Q306-W309 HydrophobicContact CG-CZ3 4.44Å; Q306-W309 PolarHBondContact O-N 2.88Å; Q306-T310 WeakPolarHBondContact O-CB 3.33Å; Q306-T310 PolarHBondContact O-N 3.43Å; Q306-T310 PolarHBondContact O-OG1 2.79Å; Q306-L336 HydrophobicContact CG-CD1 3.99Å
307	S	83.9	Confident	84.4	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	14%	0.138	C	C	.	.	H	α-helix	trans	-64.9	-45.1	-170	71.9	0	0	0	0	112.8	A26 I304 W309 T310 K311	A26-S307 PolarHBondContact N-OG 3.01Å; A26-S307 WeakPolarHBondContact O-CB 3.28Å; A26-S307 PolarHBondContact O-OG 2.96Å; I304-S307 WeakPolarHBondContact O-CB 3.49Å; I304-S307 PolarHBondContact O-N 2.83Å; I304-S307 PolarHBondContact O-OG 2.93Å; S307-W309 PolarHBondContact O-N 3.2Å; S307-T310 PolarHBondContact O-N 2.94Å; S307-K311 VanDerWaalsContact O-CG 3.28Å; S307-K311 WeakPolarHBondContact O-CG 3.4Å; S307-K311 PolarHBondContact O-N 3.08Å
308	Q	85.2	Confident	84	Confident	60 Å²	60	36.2 Å²	36.2	28%	0.28	16%	0.162	S	C	.	.	H	α-helix	trans	-59.5	-49.5	179.3	-171.4	61.4	42.5	0	0	111	Q306 T310 K311 D312	Q306-Q308 PolarHBondContact O-N 3.33Å; Q308-T310 VanDerWaalsContact C-N 3.33Å; Q308-T310 PolarHBondContact O-N 3.49Å; Q308-K311 PolarHBondContact O-N 3.28Å; Q308-D312 WeakPolarHBondContact CG-OD2 3.48Å; Q308-D312 VanDerWaalsContact NE2-CG 3.27Å; Q308-D312 PolarHBondContact NE2-OD1 2.81Å; Q308-D312 VanDerWaalsContact NE2-OD1 3.12Å; Q308-D312 PolarHBondContact NE2-OD2 2.96Å; Q308-D312 WeakPolarHBondContact O-CB 2.95Å; Q308-D312 PolarHBondContact O-N 2.9Å
309	W	81.5	Confident	83.6	Confident	109 Å²	109	37.8 Å²	37.8	41%	0.413	17%	0.17	S	C	.	.	H	α-helix	trans	-61	-40.4	178.4	-63.4	-26.6	0	0	0	112.9	I18 L23 Q306 S307 Y313	I18-W309 HydrophobicContact CD1-CH2 3.96Å; I18-W309 HydrophobicContact CD1-CZ3 3.87Å; I18-W309 HydrophobicContact CG1-CH2 4.3Å; L23-W309 HydrophobicContact CD2-CH2 4.3Å; Q306-W309 HydrophobicContact CB-CE3 4.41Å; Q306-W309 HydrophobicContact CG-CE3 4.24Å; Q306-W309 HydrophobicContact CG-CZ3 4.44Å; Q306-W309 PolarHBondContact O-N 2.88Å; S307-W309 PolarHBondContact O-N 3.2Å; W309-Y313 VanDerWaalsContact O-CB 3.22Å; W309-Y313 WeakPolarHBondContact O-CB 3.05Å; W309-Y313 PolarHBondContact O-N 2.98Å
310	T	83.7	Confident	83.5	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-43	179	-58.1	0	0	0	0	111.2	I256 R302 Q306 S307 Q308 L314 V329 L331	I256-T310 HydrophobicContact CD1-CG2 3.86Å; R302-T310 PolarHBondContact NH1-OG1 2.73Å; Q306-T310 WeakPolarHBondContact O-CB 3.33Å; Q306-T310 PolarHBondContact O-N 3.43Å; Q306-T310 PolarHBondContact O-OG1 2.79Å; S307-T310 PolarHBondContact O-N 2.94Å; Q308-T310 VanDerWaalsContact C-N 3.33Å; Q308-T310 PolarHBondContact O-N 3.49Å; T310-L314 WeakPolarHBondContact O-CG 3.39Å; T310-L314 PolarHBondContact O-N 3.25Å; T310-L314 VanDerWaalsContact O-N 3.16Å; T310-V329 HydrophobicContact CG2-CG1 4.18Å; T310-L331 HydrophobicContact CG2-CD2 4.3Å
311	K	90	Very high	83.7	Confident	5 Å²	5	51.2 Å²	51.2	2%	0.022	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-45.1	177.6	-68.2	172.7	-165.5	-178.7	0	112	A26 D28 S307 Q308 Y313 L314 R315 V329	A26-K311 PolarHBondContact O-NZ 3.15Å; D28-K311 VanDerWaalsContact OD1-CE 3.24Å; D28-K311 WeakPolarHBondContact OD1-CE 3.22Å; D28-K311 IonicContact OD1-NZ 3.5Å; D28-K311 PolarHBondContact OD1-NZ 3.15Å; D28-K311 WeakPolarHBondContact OD2-CE 3.44Å; D28-K311 IonicContact OD2-NZ 2.69Å; S307-K311 VanDerWaalsContact O-CG 3.28Å; S307-K311 WeakPolarHBondContact O-CG 3.4Å; S307-K311 PolarHBondContact O-N 3.08Å; Q308-K311 PolarHBondContact O-N 3.28Å; K311-Y313 VanDerWaalsContact C-N 3.34Å; K311-Y313 PolarHBondContact O-N 2.81Å; K311-L314 PolarHBondContact O-N 3.07Å; K311-R315 WeakPolarHBondContact O-CG 3.4Å; K311-R315 PolarHBondContact O-N 3.17Å; K311-R315 VanDerWaalsContact O-N 3.1Å; K311-V329 HydrophobicContact CG-CB 4.19Å; K311-V329 HydrophobicContact CG-CG2 4.01Å
312	D	86.7	Confident	84.5	Confident	36 Å²	36	52.6 Å²	52.6	19%	0.193	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-38.3	179.7	-69.1	-24.3	0	0	0	111.6	Q308 L314 R315 W316	Q308-D312 WeakPolarHBondContact CG-OD2 3.48Å; Q308-D312 VanDerWaalsContact NE2-CG 3.27Å; Q308-D312 PolarHBondContact NE2-OD1 2.81Å; Q308-D312 VanDerWaalsContact NE2-OD1 3.12Å; Q308-D312 PolarHBondContact NE2-OD2 2.96Å; Q308-D312 WeakPolarHBondContact O-CB 2.95Å; Q308-D312 PolarHBondContact O-N 2.9Å; D312-L314 PolarHBondContact O-N 2.97Å; D312-R315 PolarHBondContact O-N 2.83Å; D312-R315 IonicContact OD1-CZ 3.67Å; D312-R315 IonicContact OD1-NH1 2.84Å; D312-R315 PolarHBondContact OD1-NH1 2.92Å; D312-W316 VanDerWaalsContact O-CG 3.28Å; D312-W316 PolarHBondContact O-N 2.88Å
313	Y	84.4	Confident	85.2	Confident	18 Å²	18	51.6 Å²	51.6	7%	0.071	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-49.4	172.4	177.4	-96.1	0	0	0	112	T261 L266 L270 W309 K311 R315 W316 I317	T261-Y313 HydrophobicContact CG2-CE1 3.81Å; L266-Y313 HydrophobicContact CD1-CD1 3.4Å; L266-Y313 HydrophobicContact CD1-CD2 4.39Å; L266-Y313 HydrophobicContact CD1-CE1 3.3Å; L266-Y313 HydrophobicContact CD1-CE2 4.33Å; L266-Y313 HydrophobicContact CD1-CG 3.96Å; L266-Y313 HydrophobicContact CG-CD1 4.26Å; L266-Y313 HydrophobicContact CG-CD2 4.41Å; L266-Y313 HydrophobicContact CG-CE1 4.11Å; L266-Y313 HydrophobicContact CG-CE2 4.28Å; L266-Y313 HydrophobicContact CG-CG 4.4Å; L270-Y313 HydrophobicContact CD2-CD2 4.49Å; W309-Y313 VanDerWaalsContact O-CB 3.22Å; W309-Y313 WeakPolarHBondContact O-CB 3.05Å; W309-Y313 PolarHBondContact O-N 2.98Å; K311-Y313 VanDerWaalsContact C-N 3.34Å; K311-Y313 PolarHBondContact O-N 2.81Å; Y313-R315 VanDerWaalsContact C-N 3.28Å; Y313-R315 PolarHBondContact O-N 3.19Å; Y313-W316 PolarHBondContact O-N 2.92Å; Y313-W316 VanDerWaalsContact O-N 3.16Å; Y313-I317 HydrophobicContact CD1-CD1 4.04Å; Y313-I317 HydrophobicContact CE1-CD1 3.51Å; Y313-I317 HydrophobicContact CE1-CG1 4.12Å; Y313-I317 WeakPolarHBondContact O-CG1 3.29Å; Y313-I317 PolarHBondContact O-N 3.46Å
314	L	89.5	Confident	86.1	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-59.6	-38.8	177.6	-68.9	176.7	0	0	0	112.3	I256 I260 Y298 T310 K311 D312 W316 I317 L324 V329	I256-L314 HydrophobicContact CD1-CD1 3.86Å; I256-L314 HydrophobicContact CD1-CD2 4.48Å; I256-L314 HydrophobicContact CG1-CD1 4.48Å; I256-L314 HydrophobicContact CG1-CD2 4.42Å; I256-L314 HydrophobicContact CG2-CD2 4.27Å; I260-L314 HydrophobicContact CD1-CD2 4.01Å; I260-L314 HydrophobicContact CG2-CD2 4.43Å; Y298-L314 HydrophobicContact CD2-CD1 4.24Å; Y298-L314 HydrophobicContact CG-CD1 4.15Å; T310-L314 WeakPolarHBondContact O-CG 3.39Å; T310-L314 PolarHBondContact O-N 3.25Å; T310-L314 VanDerWaalsContact O-N 3.16Å; K311-L314 PolarHBondContact O-N 3.07Å; D312-L314 PolarHBondContact O-N 2.97Å; L314-W316 VanDerWaalsContact C-N 3.34Å; L314-I317 HydrophobicContact CD2-CD1 4.33Å; L314-I317 PolarHBondContact O-N 2.89Å; L314-L324 HydrophobicContact CD2-CD1 3.83Å; L314-V329 HydrophobicContact CD1-CG2 3.65Å
315	R	89.3	Confident	87.1	Confident	104 Å²	104	53.3 Å²	53.3	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-67.4	-33.1	177.1	-69.4	173.6	-171.7	152.9	2.3	113.3	H241 K311 D312 Y313	H241-R315 PolarHBondContact CE1-NH2 3.3Å; H241-R315 PolarHBondContact ND1-NH2 3.48Å; K311-R315 WeakPolarHBondContact O-CG 3.4Å; K311-R315 PolarHBondContact O-N 3.17Å; K311-R315 VanDerWaalsContact O-N 3.1Å; D312-R315 PolarHBondContact O-N 2.83Å; D312-R315 IonicContact OD1-CZ 3.67Å; D312-R315 IonicContact OD1-NH1 2.84Å; D312-R315 PolarHBondContact OD1-NH1 2.92Å; Y313-R315 VanDerWaalsContact C-N 3.28Å; Y313-R315 PolarHBondContact O-N 3.19Å
316	W	86.7	Confident	88.2	Confident	157 Å²	157	58.3 Å²	58.3	60%	0.595	28%	0.284	S	S	*	.	H	α-helix	trans	-78.2	-18.3	179.4	-70.6	-18.7	0	0	0	113.7	V273 D312 Y313 L314 K318	V273-W316 HydrophobicContact CB-CE3 4.46Å; V273-W316 HydrophobicContact CG1-CB 3.86Å; V273-W316 HydrophobicContact CG1-CD2 4.33Å; V273-W316 HydrophobicContact CG1-CE3 3.86Å; V273-W316 HydrophobicContact CG1-CG 4.4Å; V273-W316 HydrophobicContact CG2-CE3 3.77Å; V273-W316 HydrophobicContact CG2-CZ3 3.89Å; D312-W316 VanDerWaalsContact O-CG 3.28Å; D312-W316 PolarHBondContact O-N 2.88Å; Y313-W316 PolarHBondContact O-N 2.92Å; Y313-W316 VanDerWaalsContact O-N 3.16Å; L314-W316 VanDerWaalsContact C-N 3.34Å; W316-K318 PolarHBondContact O-N 2.89Å; W316-K318 VanDerWaalsContact O-N 3.15Å
317	I	87.6	Confident	89.2	Confident	8 Å²	8	56.8 Å²	56.8	4%	0.041	28%	0.279	C	S	.	.			trans	-61.9	119.9	175	-69.1	171.6	0	0	0	109.8	I260 T278 T283 Y313 L314 G323 L324	I260-I317 HydrophobicContact CG2-CD1 3.67Å; T278-I317 HydrophobicContact CG2-CB 4.38Å; T278-I317 HydrophobicContact CG2-CD1 3.53Å; T278-I317 HydrophobicContact CG2-CG1 3.65Å; T278-I317 HydrophobicContact CG2-CG2 3.83Å; T283-I317 HydrophobicContact CG2-CG2 3.63Å; Y313-I317 HydrophobicContact CD1-CD1 4.04Å; Y313-I317 HydrophobicContact CE1-CD1 3.51Å; Y313-I317 HydrophobicContact CE1-CG1 4.12Å; Y313-I317 WeakPolarHBondContact O-CG1 3.29Å; Y313-I317 PolarHBondContact O-N 3.46Å; L314-I317 HydrophobicContact CD2-CD1 4.33Å; L314-I317 PolarHBondContact O-N 2.89Å; I317-G323 VanDerWaalsContact O-CA 3.3Å; I317-G323 WeakPolarHBondContact O-CA 3.45Å; I317-L324 HydrophobicContact CB-CD1 4.1Å; I317-L324 HydrophobicContact CB-CG 4.39Å; I317-L324 HydrophobicContact CD1-CD1 3.61Å; I317-L324 HydrophobicContact CG1-CD1 4.45Å; I317-L324 HydrophobicContact CG2-CD1 4.1Å; I317-L324 HydrophobicContact CG2-CG 4.08Å
318	K	88.9	Confident	89.8	Confident	115 Å²	115	56.7 Å²	56.7	50%	0.5	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.4	172.2	-63.6	-66.9	179.4	-179.4	0	109.9	A275 W316 L322	A275-K318 WeakPolarHBondContact CB-O 3.38Å; W316-K318 PolarHBondContact O-N 2.89Å; W316-K318 VanDerWaalsContact O-N 3.15Å; K318-L322 CarbonylContact C-O 3.52Å; K318-L322 VanDerWaalsContact CA-O 3.25Å; K318-L322 WeakPolarHBondContact CA-O 3.43Å
319	Q	89.1	Confident	90.3	Very high	36 Å²	36	54.1 Å²	54.1	17%	0.168	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	108.9	165.3	-52.6	-177.9	-53.8	0	0	108	T278 Q279 G281 V282 T283 K321 L322	T278-Q319 PolarHBondContact OG1-NE2 3.4Å; Q279-Q319 PolarHBondContact O-NE2 3.43Å; G281-Q319 VanDerWaalsContact N-OE1 3.11Å; V282-Q319 VanDerWaalsContact N-OE1 3.14Å; T283-Q319 HydrophobicContact CG2-CB 4.32Å; T283-Q319 HydrophobicContact CG2-CG 3.79Å; T283-Q319 VanDerWaalsContact N-OE1 3.15Å; T283-Q319 VanDerWaalsContact OG1-CB 3.3Å; T283-Q319 WeakPolarHBondContact OG1-CB 3.47Å; T283-Q319 PolarHBondContact OG1-OE1 2.77Å; T283-Q319 VanDerWaalsContact OG1-OE1 3.06Å; Q319-K321 PolarHBondContact O-N 3.1Å; Q319-L322 PolarHBondContact N-O 2.81Å; Q319-L322 PolarHBondContact O-N 2.79Å
320	G	88.1	Confident	90.7	Very high	79 Å²	79	49.5 Å²	49.5	81%	0.814	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	-119.7	-169.3	0	0	0	0	0	111.1
321	K	90.3	Very high	90.8	Very high	204 Å²	204	49.7 Å²	49.7	89%	0.887	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-15.5	179.5	-63.5	-178.3	-179.1	178.5	0	113.6	Q319	Q319-K321 PolarHBondContact O-N 3.1Å
322	L	93	Very high	90.2	Very high	73 Å²	73	49.6 Å²	49.6	38%	0.382	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	146.4	-175.1	-62.8	176.9	0	0	0	110.5	E284 K318 Q319	E284-L322 HydrophobicContact CB-CD1 4.09Å; E284-L322 HydrophobicContact CG-CD1 4.01Å; K318-L322 CarbonylContact C-O 3.52Å; K318-L322 VanDerWaalsContact CA-O 3.25Å; K318-L322 WeakPolarHBondContact CA-O 3.43Å; Q319-L322 PolarHBondContact N-O 2.81Å; Q319-L322 PolarHBondContact O-N 2.79Å
323	G	92.7	Very high	89.1	Confident	12 Å²	12	49.8 Å²	49.8	12%	0.124	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	172.9	168	0	0	0	0	0	110	S287 I317	S287-G323 PolarHBondContact OG-O 3.44Å; I317-G323 VanDerWaalsContact O-CA 3.3Å; I317-G323 WeakPolarHBondContact O-CA 3.45Å
324	L	94.5	Very high	88.3	Confident	19 Å²	19	50.5 Å²	50.5	10%	0.099	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-63	141.7	172.2	-69.4	171	0	0	0	110.2	I260 V282 T283 F286 L314 I317	I260-L324 HydrophobicContact CD1-CD1 4.2Å; I260-L324 HydrophobicContact CG2-CD1 3.7Å; V282-L324 HydrophobicContact CG2-CD2 4.38Å; T283-L324 HydrophobicContact CG2-CD2 4.13Å; T283-L324 HydrophobicContact CG2-CG 4.1Å; F286-L324 HydrophobicContact CB-CD2 4.45Å; F286-L324 HydrophobicContact CD2-CD2 3.94Å; L314-L324 HydrophobicContact CD2-CD1 3.83Å; I317-L324 HydrophobicContact CB-CD1 4.1Å; I317-L324 HydrophobicContact CB-CG 4.39Å; I317-L324 HydrophobicContact CD1-CD1 3.61Å; I317-L324 HydrophobicContact CG1-CD1 4.45Å; I317-L324 HydrophobicContact CG2-CD1 4.1Å; I317-L324 HydrophobicContact CG2-CG 4.08Å
325	P	96.6	Very high	86.5	Confident	22 Å²	22	50.5 Å²	50.5	14%	0.143	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-63.7	153.2	174	27.1	-33.2	0	0	0	110.9	F286 V290 V296 Y298	F286-P325 HydrophobicContact CB-CG 3.81Å; V290-P325 HydrophobicContact CB-CB 4.24Å; V290-P325 HydrophobicContact CG1-CB 4.48Å; V290-P325 HydrophobicContact CG2-CB 3.65Å; V290-P325 HydrophobicContact CG2-CG 3.73Å; V296-P325 HydrophobicContact CG2-CG 4.15Å; Y298-P325 PolarHBondContact OH-O 3.12Å
326	I	95.2	Very high	84.6	Confident	115 Å²	115	46.7 Å²	46.7	59%	0.59	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-79.2	127.9	178.2	-56	170.6	0	0	0	108.9	I221 F243	I221-I326 HydrophobicContact CD1-CB 3.85Å; I221-I326 HydrophobicContact CD1-CD1 4.16Å; I221-I326 HydrophobicContact CD1-CG2 3.55Å; I221-I326 HydrophobicContact CG1-CG2 4.48Å; F243-I326 HydrophobicContact CE1-CG2 4.16Å; F243-I326 HydrophobicContact CZ-CG2 4.07Å
327	G	96.9	Very high	82.6	Confident	6 Å²	6	42.9 Å²	42.9	6%	0.062	24%	0.238	C	C	.	.			trans	-152.1	163.2	176.7	0	0	0	0	0	111.1	V296	V296-G327 WeakPolarHBondContact O-CA 3.34Å
328	P	97	Very high	80.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.254	C	S	.	.			trans	-64.7	137.7	179	26.6	-33.5	0	0	0	110.8	D28 F243 W245 I297 Y298 F330	D28-P328 HydrophobicContact CB-CB 4.02Å; F243-P328 HydrophobicContact CD2-CB 3.62Å; F243-P328 HydrophobicContact CD2-CG 4.22Å; F243-P328 HydrophobicContact CE2-CB 3.68Å; F243-P328 HydrophobicContact CE2-CG 4.43Å; F243-P328 HydrophobicContact CG-CB 4.26Å; F243-P328 HydrophobicContact CG-CG 4.39Å; F243-P328 HydrophobicContact CZ-CB 4.37Å; F243-P328 VanDerWaalsContact CZ-N 3.31Å; W245-P328 VanDerWaalsContact CH2-CD 3.46Å; W245-P328 HydrophobicContact CH2-CG 3.9Å; W245-P328 HydrophobicContact CZ3-CG 4.4Å; I297-P328 HydrophobicContact CB-CG 4.16Å; I297-P328 HydrophobicContact CG2-CG 3.67Å; Y298-P328 PolarHBondContact N-O 2.93Å; P328-F330 HydrophobicContact CB-CD2 4.45Å; P328-F330 HydrophobicContact CB-CE2 3.78Å; P328-F330 HydrophobicContact CB-CZ 4.04Å; P328-F330 HydrophobicContact CG-CE2 3.77Å; P328-F330 HydrophobicContact CG-CZ 4.26Å
329	V	94.1	Very high	78.8	Confident	5 Å²	5	41 Å²	41	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.6	175.1	-174.1	0	0	0	0	109.4	D28 I256 Y298 T310 K311 L314 L331	D28-V329 PolarHBondContact OD2-N 3.29Å; I256-V329 HydrophobicContact CD1-CG1 3.97Å; Y298-V329 HydrophobicContact CD2-CG2 4.31Å; T310-V329 HydrophobicContact CG2-CG1 4.18Å; K311-V329 HydrophobicContact CG-CB 4.19Å; K311-V329 HydrophobicContact CG-CG2 4.01Å; L314-V329 HydrophobicContact CD1-CG2 3.65Å; V329-L331 HydrophobicContact CG1-CD2 3.9Å; V329-L331 HydrophobicContact CG1-CG 4.13Å
330	F	91.4	Very high	76.6	Confident	13 Å²	13	41.8 Å²	41.8	6%	0.057	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.8	175.2	-60.3	-83.6	0	0	0	110.5	V27 L30 I297 Y298 L299 S300 P328 I360	V27-F330 HydrophobicContact CG1-CD1 4.39Å; L30-F330 HydrophobicContact CB-CZ 3.94Å; L30-F330 HydrophobicContact CD2-CZ 4.36Å; I297-F330 HydrophobicContact CB-CE2 4.2Å; I297-F330 HydrophobicContact CD1-CE2 4.49Å; I297-F330 HydrophobicContact CG2-CE2 4.38Å; Y298-F330 PolarHBondContact O-N 3.44Å; L299-F330 HydrophobicContact CD2-CB 3.8Å; L299-F330 HydrophobicContact CD2-CD2 4.18Å; L299-F330 HydrophobicContact CD2-CG 4.36Å; S300-F330 PolarHBondContact N-O 2.89Å; P328-F330 HydrophobicContact CB-CD2 4.45Å; P328-F330 HydrophobicContact CB-CE2 3.78Å; P328-F330 HydrophobicContact CB-CZ 4.04Å; P328-F330 HydrophobicContact CG-CE2 3.77Å; P328-F330 HydrophobicContact CG-CZ 4.26Å; F330-I360 HydrophobicContact CD1-CD1 4.21Å; F330-I360 HydrophobicContact CD2-CD1 3.67Å; F330-I360 HydrophobicContact CE1-CD1 4.02Å; F330-I360 HydrophobicContact CE1-CG1 4.16Å; F330-I360 HydrophobicContact CE2-CD1 3.43Å; F330-I360 VanDerWaalsContact CE2-CD1 3.43Å; F330-I360 HydrophobicContact CE2-CG1 4.23Å; F330-I360 HydrophobicContact CG-CD1 4.04Å; F330-I360 HydrophobicContact CZ-CD1 3.62Å; F330-I360 HydrophobicContact CZ-CG1 3.9Å
331	L	85.7	Confident	74.6	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	161.2	-174.4	-60.6	173.5	0	0	0	108.9	V27 S300 R302 T310 V329 P333 F352	V27-L331 HydrophobicContact CG2-CB 4.32Å; S300-L331 WeakPolarHBondContact O-CA 3.47Å; R302-L331 HydrophobicContact CB-CD2 4.15Å; R302-L331 WeakPolarHBondContact O-CB 3.38Å; T310-L331 HydrophobicContact CG2-CD2 4.3Å; V329-L331 HydrophobicContact CG1-CD2 3.9Å; V329-L331 HydrophobicContact CG1-CG 4.13Å; L331-P333 WeakPolarHBondContact O-CD 3.42Å; L331-F352 WeakPolarHBondContact O-CE2 3.34Å; L331-F352 VanDerWaalsContact O-CZ 3.29Å; L331-F352 WeakPolarHBondContact O-CZ 3.22Å
332	S	76.8	Confident	72.3	Confident	4 Å²	4	35.2 Å²	35.2	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	122.5	170.8	-177.1	0	0	0	0	109.3	A301 R302 I304 T334	A301-S332 WeakPolarHBondContact O-CB 3.33Å; R302-S332 WeakPolarHBondContact O-CB 3.38Å; R302-S332 PolarHBondContact O-N 2.89Å; I304-S332 PolarHBondContact N-O 3.26Å; I304-S332 VanDerWaalsContact N-O 3.1Å; S332-T334 PolarHBondContact O-N 2.95Å; S332-T334 VanDerWaalsContact O-N 3.16Å; S332-T334 PolarHBondContact OG-OG1 3.04Å
333	P	64.4	Low	70	Confident	40 Å²	40	38.1 Å²	38.1	26%	0.26	20%	0.2	S	C	.	.	S	Bend	trans	-68	-14.5	-179.6	28.7	-35.6	0	0	0	111.8	Y45 L331	Y45-P333 HydrophobicContact CD1-CB 3.7Å; Y45-P333 HydrophobicContact CD2-CB 3.99Å; Y45-P333 HydrophobicContact CE1-CB 3.75Å; Y45-P333 HydrophobicContact CE2-CB 4.02Å; Y45-P333 HydrophobicContact CG-CB 3.82Å; L331-P333 WeakPolarHBondContact O-CD 3.42Å
334	T	65.8	Low	67.9	Low	33 Å²	33	42.2 Å²	42.2	20%	0.202	22%	0.218	C	C	.	.	S	Bend	trans	-75.2	153.8	-179	64.5	0	0	0	0	112.7	A303 S332 I338 A339	A303-T334 WeakPolarHBondContact CB-O 3.42Å; S332-T334 PolarHBondContact O-N 2.95Å; S332-T334 VanDerWaalsContact O-N 3.16Å; S332-T334 PolarHBondContact OG-OG1 3.04Å; T334-I338 HydrophobicContact CG2-CG2 3.89Å; T334-A339 WeakPolarHBondContact OG1-CB 3.33Å; T334-A339 PolarHBondContact OG1-N 3.29Å
335	S	53.1	Low	65.5	Low	12 Å²	12	44.4 Å²	44.4	8%	0.084	23%	0.229	C	C	.	.			trans	-56.9	155.1	173.7	-63.9	0	0	0	0	112	R47 I337 I338 A339	R47-S335 PolarHBondContact NH1-OG 2.8Å; R47-S335 PolarHBondContact NH2-OG 3.26Å; S335-I337 VanDerWaalsContact C-N 3.25Å; S335-I337 PolarHBondContact O-N 3.38Å; S335-I338 CarbonylContact O-C 3.59Å; S335-I338 PolarHBondContact O-N 2.86Å; S335-A339 WeakPolarHBondContact O-CB 3.41Å; S335-A339 PolarHBondContact O-N 3.44Å
336	L	48	Very low	63	Low	24 Å²	24	46.7 Å²	46.7	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-36.1	177	-172.4	156.3	0	0	0	112.7	I18 P20 L23 A303 Q306 L340	I18-L336 HydrophobicContact CG2-CD1 4.23Å; P20-L336 HydrophobicContact CB-CB 3.69Å; P20-L336 HydrophobicContact CB-CD2 4.37Å; P20-L336 HydrophobicContact CG-CB 3.77Å; P20-L336 HydrophobicContact CG-CD2 3.46Å; P20-L336 VanDerWaalsContact CG-CD2 3.46Å; P20-L336 HydrophobicContact CG-CG 4.14Å; L23-L336 HydrophobicContact CD1-CB 4.37Å; L23-L336 HydrophobicContact CD1-CD1 4.02Å; A303-L336 VanDerWaalsContact CB-CA 3.44Å; A303-L336 HydrophobicContact CB-CB 3.74Å; A303-L336 HydrophobicContact CB-CG 4.39Å; Q306-L336 HydrophobicContact CG-CD1 3.99Å; L336-L340 WeakPolarHBondContact O-CB 3.34Å; L336-L340 PolarHBondContact O-N 3.21Å
337	I	46.4	Very low	60.5	Low	76 Å²	76	49.7 Å²	49.7	39%	0.39	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-51.7	170.9	-80.4	157.8	0	0	0	110.4	P20 S335 L340 H341	P20-I337 HydrophobicContact CB-CB 4.1Å; P20-I337 HydrophobicContact CB-CD1 3.79Å; P20-I337 HydrophobicContact CB-CG1 3.57Å; P20-I337 VanDerWaalsContact CB-N 3.35Å; P20-I337 HydrophobicContact CG-CB 4.42Å; P20-I337 HydrophobicContact CG-CD1 4.08Å; P20-I337 HydrophobicContact CG-CG1 3.58Å; S335-I337 VanDerWaalsContact C-N 3.25Å; S335-I337 PolarHBondContact O-N 3.38Å; I337-L340 PolarHBondContact O-N 2.88Å; I337-H341 VanDerWaalsContact CG2-CD2 3.43Å; I337-H341 WeakPolarHBondContact CG2-CD2 3.32Å; I337-H341 VanDerWaalsContact O-CB 3.29Å; I337-H341 WeakPolarHBondContact O-CB 3.22Å; I337-H341 PolarHBondContact O-CD2 2.95Å; I337-H341 PolarHBondContact O-N 2.99Å
338	I	49.1	Very low	58.4	Low	72 Å²	72	51.8 Å²	51.8	37%	0.369	26%	0.258	S	S	.	.	H	α-helix	trans	-69.4	-40	-176.1	-61.3	172.1	0	0	0	110.7	T334 S335 H341 R342	T334-I338 HydrophobicContact CG2-CG2 3.89Å; S335-I338 CarbonylContact O-C 3.59Å; S335-I338 PolarHBondContact O-N 2.86Å; I338-H341 PolarHBondContact O-N 3.08Å; I338-R342 VanDerWaalsContact O-CB 3.24Å; I338-R342 WeakPolarHBondContact O-CB 3.32Å; I338-R342 PolarHBondContact O-N 3.43Å
339	A	45.9	Very low	56.3	Low	13 Å²	13	53.6 Å²	53.6	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-44.2	176.3	0	0	0	0	0	111.6	A303 T334 S335 R342 E343	A303-A339 HydrophobicContact CB-CB 3.96Å; T334-A339 WeakPolarHBondContact OG1-CB 3.33Å; T334-A339 PolarHBondContact OG1-N 3.29Å; S335-A339 WeakPolarHBondContact O-CB 3.41Å; S335-A339 PolarHBondContact O-N 3.44Å; A339-R342 WeakPolarHBondContact O-CB 3.4Å; A339-R342 PolarHBondContact O-N 3.48Å; A339-E343 WeakPolarHBondContact O-CB 3.39Å; A339-E343 PolarHBondContact O-N 3.14Å
340	L	43.5	Very low	54.6	Low	52 Å²	52	55.8 Å²	55.8	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-67.5	-40.8	175.8	-172.9	124.7	0	0	0	111	L336 I337 R342 E343 I344	L336-L340 WeakPolarHBondContact O-CB 3.34Å; L336-L340 PolarHBondContact O-N 3.21Å; I337-L340 PolarHBondContact O-N 2.88Å; L340-R342 VanDerWaalsContact C-N 3.34Å; L340-E343 PolarHBondContact O-N 2.98Å; L340-I344 HydrophobicContact CD2-CD1 3.53Å; L340-I344 HydrophobicContact CG-CD1 3.89Å; L340-I344 WeakPolarHBondContact O-CB 3.35Å; L340-I344 WeakPolarHBondContact O-CD1 3.42Å; L340-I344 WeakPolarHBondContact O-CG1 3.15Å; L340-I344 PolarHBondContact O-N 3.48Å
341	H	45.4	Very low	53.5	Low	78 Å²	78	58.6 Å²	58.6	36%	0.361	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-41.9	171.8	-83.6	-63.6	0	0	0	111.8	I337 I338 I344 I345	I337-H341 VanDerWaalsContact CG2-CD2 3.43Å; I337-H341 WeakPolarHBondContact CG2-CD2 3.32Å; I337-H341 VanDerWaalsContact O-CB 3.29Å; I337-H341 WeakPolarHBondContact O-CB 3.22Å; I337-H341 PolarHBondContact O-CD2 2.95Å; I337-H341 PolarHBondContact O-N 2.99Å; I338-H341 PolarHBondContact O-N 3.08Å; H341-I344 PolarHBondContact O-N 2.89Å; H341-I345 HydrophobicContact CB-CD1 4.06Å; H341-I345 WeakPolarHBondContact O-CB 3.3Å; H341-I345 WeakPolarHBondContact O-CG1 3.28Å; H341-I345 PolarHBondContact O-N 3.48Å
342	R	43.8	Very low	52.8	Low	67 Å²	67	59.1 Å²	59.1	25%	0.253	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-49.8	175.1	-167.7	178.8	-169.4	177.2	5	110	I338 A339 L340 I344 I345 E346	I338-R342 VanDerWaalsContact O-CB 3.24Å; I338-R342 WeakPolarHBondContact O-CB 3.32Å; I338-R342 PolarHBondContact O-N 3.43Å; A339-R342 WeakPolarHBondContact O-CB 3.4Å; A339-R342 PolarHBondContact O-N 3.48Å; L340-R342 VanDerWaalsContact C-N 3.34Å; R342-I344 PolarHBondContact O-N 3.31Å; R342-I345 PolarHBondContact O-N 3.42Å; R342-E346 HydrophobicContact CG-CB 3.93Å; R342-E346 HydrophobicContact CG-CG 4.42Å; R342-E346 WeakPolarHBondContact CG-OE2 3.4Å; R342-E346 IonicContact CZ-OE2 3.02Å; R342-E346 IonicContact NE-OE2 2.91Å; R342-E346 PolarHBondContact NE-OE2 3.36Å; R342-E346 IonicContact NH2-OE2 2.95Å; R342-E346 CarbonylContact O-C 3.59Å; R342-E346 WeakPolarHBondContact O-CA 3.42Å; R342-E346 WeakPolarHBondContact O-CB 3.24Å; R342-E346 PolarHBondContact O-N 2.92Å
343	E	44.7	Very low	53.2	Low	134 Å²	134	59.6 Å²	59.6	63%	0.626	30%	0.302	S	S	*	.	H	α-helix	trans	-56.3	-38.4	176.8	-171.9	179.4	-176	0	0	112.9	A339 L340	A339-E343 WeakPolarHBondContact O-CB 3.39Å; A339-E343 PolarHBondContact O-N 3.14Å; L340-E343 PolarHBondContact O-N 2.98Å
344	I	47.9	Very low	54.1	Low	98 Å²	98	59.2 Å²	59.2	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-79.5	-37.6	-179.2	-66.8	167.1	0	0	0	112.6	L340 H341 R342	L340-I344 HydrophobicContact CD2-CD1 3.53Å; L340-I344 HydrophobicContact CG-CD1 3.89Å; L340-I344 WeakPolarHBondContact O-CB 3.35Å; L340-I344 WeakPolarHBondContact O-CD1 3.42Å; L340-I344 WeakPolarHBondContact O-CG1 3.15Å; L340-I344 PolarHBondContact O-N 3.48Å; H341-I344 PolarHBondContact O-N 2.89Å; R342-I344 PolarHBondContact O-N 3.31Å
345	I	43.2	Very low	55	Low	65 Å²	65	60.5 Å²	60.5	33%	0.333	31%	0.309	S	S	.	.	H	α-helix	trans	-97.6	-50.6	-170.8	-60.7	167	0	0	0	111	A161 H341 R342	A161-I345 HydrophobicContact CB-CG2 4.29Å; H341-I345 HydrophobicContact CB-CD1 4.06Å; H341-I345 WeakPolarHBondContact O-CB 3.3Å; H341-I345 WeakPolarHBondContact O-CG1 3.28Å; H341-I345 PolarHBondContact O-N 3.48Å; R342-I345 PolarHBondContact O-N 3.42Å
346	E	44	Very low	56.6	Low	70 Å²	70	60.5 Å²	60.5	33%	0.327	31%	0.309	S	S	.	.			trans	-94	91.4	169.8	-71	177.9	-170.3	0	0	108.1	R342 T348	R342-E346 HydrophobicContact CG-CB 3.93Å; R342-E346 HydrophobicContact CG-CG 4.42Å; R342-E346 WeakPolarHBondContact CG-OE2 3.4Å; R342-E346 IonicContact CZ-OE2 3.02Å; R342-E346 IonicContact NE-OE2 2.91Å; R342-E346 PolarHBondContact NE-OE2 3.36Å; R342-E346 IonicContact NH2-OE2 2.95Å; R342-E346 CarbonylContact O-C 3.59Å; R342-E346 WeakPolarHBondContact O-CA 3.42Å; R342-E346 WeakPolarHBondContact O-CB 3.24Å; R342-E346 PolarHBondContact O-N 2.92Å; E346-T348 PolarHBondContact O-N 2.83Å
347	K	44.4	Very low	58.6	Low	177 Å²	177	59.3 Å²	59.3	77%	0.77	30%	0.303	S	S	*	.			trans	-60	20	171	-72	-173.1	175.5	-177.2	0	114.5	P349	K347-P349 WeakPolarHBondContact O-CD 3.34Å
348	T	52	Low	60.7	Low	50 Å²	50	59.2 Å²	59.2	31%	0.307	30%	0.302	S	S	.	.			trans	-115.7	72.5	-178.9	56.1	0	0	0	0	110.3	E346 E350 V351	E346-T348 PolarHBondContact O-N 2.83Å; T348-E350 PolarHBondContact O-N 3.43Å; T348-V351 PolarHBondContact O-N 3.22Å; T348-V351 WeakPolarHBondContact OG1-CG2 3.33Å
349	P	53	Low	62.6	Low	39 Å²	39	60 Å²	60	25%	0.253	31%	0.306	S	S	.	.	H	α-helix	trans	-52.9	-18.5	161.5	24	-32.5	0	0	0	112.1	K347 V351 F352 K353	K347-P349 WeakPolarHBondContact O-CD 3.34Å; P349-V351 VanDerWaalsContact C-N 3.32Å; P349-V351 PolarHBondContact O-N 3.31Å; P349-F352 PolarHBondContact O-N 3.47Å; P349-K353 PolarHBondContact O-N 2.89Å
350	E	58.7	Low	64.9	Low	51 Å²	51	59.5 Å²	59.5	24%	0.238	30%	0.302	C	S	.	.	H	α-helix	trans	-49.5	-43.4	168.4	-66.4	169.2	-136.3	0	0	114	T348 F352 K353 T354 N380	T348-E350 PolarHBondContact O-N 3.43Å; E350-F352 VanDerWaalsContact C-N 3.31Å; E350-F352 PolarHBondContact O-N 3.16Å; E350-K353 PolarHBondContact O-N 2.95Å; E350-T354 VanDerWaalsContact O-CB 3.23Å; E350-T354 WeakPolarHBondContact O-CB 3.46Å; E350-T354 PolarHBondContact O-N 3.47Å; E350-T354 PolarHBondContact O-OG1 2.97Å; E350-N380 HydrophobicContact CG-CB 3.44Å; E350-N380 VanDerWaalsContact CG-CB 3.44Å; E350-N380 VanDerWaalsContact CG-CG 3.47Å; E350-N380 WeakPolarHBondContact CG-ND2 3.34Å; E350-N380 PolarHBondContact OE1-ND2 3.13Å; E350-N380 PolarHBondContact OE1-OD1 3.2Å; E350-N380 VanDerWaalsContact OE1-OD1 3.1Å
351	V	66.7	Low	67.4	Low	71 Å²	71	61.2 Å²	61.2	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-66.6	-38.8	-174.4	-178.4	0	0	0	0	110.1	T348 P349 S355	T348-V351 PolarHBondContact O-N 3.22Å; T348-V351 WeakPolarHBondContact OG1-CG2 3.33Å; P349-V351 VanDerWaalsContact C-N 3.32Å; P349-V351 PolarHBondContact O-N 3.31Å; V351-S355 WeakPolarHBondContact O-CB 3.45Å; V351-S355 PolarHBondContact O-N 3.34Å
352	F	72.6	Confident	69.6	Low	16 Å²	16	61 Å²	61	7%	0.07	32%	0.317	C	S	.	.	H	α-helix	trans	-66.8	-55	175.3	167.8	-106.6	0	0	0	111.8	S300 L331 P349 E350 T354 S355 C356	S300-F352 VanDerWaalsContact O-CE1 3.32Å; S300-F352 WeakPolarHBondContact O-CE1 3.29Å; L331-F352 WeakPolarHBondContact O-CE2 3.34Å; L331-F352 VanDerWaalsContact O-CZ 3.29Å; L331-F352 WeakPolarHBondContact O-CZ 3.22Å; P349-F352 PolarHBondContact O-N 3.47Å; E350-F352 VanDerWaalsContact C-N 3.31Å; E350-F352 PolarHBondContact O-N 3.16Å; F352-T354 VanDerWaalsContact C-N 3.29Å; F352-T354 PolarHBondContact O-N 3.36Å; F352-S355 PolarHBondContact O-N 3.3Å; F352-C356 HydrophobicContact CD2-CB 4.44Å; F352-C356 HydrophobicContact CE2-CB 3.91Å; F352-C356 HydrophobicContact CZ-CB 4.02Å; F352-C356 VanDerWaalsContact O-CB 3.26Å; F352-C356 WeakPolarHBondContact O-CB 3.42Å; F352-C356 PolarHBondContact O-N 2.85Å
353	K	84.2	Confident	72.1	Confident	13 Å²	13	58.3 Å²	58.3	6%	0.057	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-42.3	-176.2	-70.1	-172	-178.8	-174.4	0	111.3	D255 P349 E350 L357 D381 A384	D255-K353 IonicContact OD1-NZ 3.54Å; D255-K353 PolarHBondContact OD1-NZ 2.93Å; D255-K353 IonicContact OD2-NZ 3.75Å; D255-K353 PolarHBondContact OD2-NZ 3.21Å; P349-K353 PolarHBondContact O-N 2.89Å; E350-K353 PolarHBondContact O-N 2.95Å; K353-L357 WeakPolarHBondContact O-CB 3.46Å; K353-L357 WeakPolarHBondContact O-CD1 3.32Å; K353-L357 WeakPolarHBondContact O-CG 3.32Å; K353-L357 PolarHBondContact O-N 3.34Å; K353-D381 WeakPolarHBondContact CD-OD1 3.48Å; K353-D381 IonicContact NZ-OD1 3.45Å; K353-D381 PolarHBondContact NZ-OD1 2.94Å; K353-D381 IonicContact NZ-OD2 2.68Å; K353-A384 HydrophobicContact CB-CB 4.02Å
354	T	84.5	Confident	74.6	Confident	33 Å²	33	52.2 Å²	52.2	20%	0.202	28%	0.279	C	S	.	.	H	α-helix	trans	-65.3	-48.9	177.6	-51.6	0	0	0	0	111.3	E350 F352 C356 L357 M358 A384 A387	E350-T354 VanDerWaalsContact O-CB 3.23Å; E350-T354 WeakPolarHBondContact O-CB 3.46Å; E350-T354 PolarHBondContact O-N 3.47Å; E350-T354 PolarHBondContact O-OG1 2.97Å; F352-T354 VanDerWaalsContact C-N 3.29Å; F352-T354 PolarHBondContact O-N 3.36Å; T354-C356 PolarHBondContact O-N 3.05Å; T354-L357 PolarHBondContact O-N 2.86Å; T354-M358 HydrophobicContact CG2-CE 4.41Å; T354-M358 HydrophobicContact CG2-CG 4.47Å; T354-M358 VanDerWaalsContact O-CG 3.24Å; T354-M358 WeakPolarHBondContact O-CG 3.33Å; T354-M358 PolarHBondContact O-N 3.16Å; T354-A384 WeakPolarHBondContact OG1-CB 2.97Å; T354-A387 HydrophobicContact CG2-CB 4.04Å
355	S	83.1	Confident	76.9	Confident	60 Å²	60	48.7 Å²	48.7	42%	0.42	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-48.7	178.3	-171.1	0	0	0	0	111.6	V351 F352 L357 M358 D359	V351-S355 WeakPolarHBondContact O-CB 3.45Å; V351-S355 PolarHBondContact O-N 3.34Å; F352-S355 PolarHBondContact O-N 3.3Å; S355-L357 VanDerWaalsContact C-N 3.31Å; S355-L357 PolarHBondContact O-N 3.1Å; S355-M358 WeakPolarHBondContact O-CB 3.37Å; S355-M358 PolarHBondContact O-N 2.91Å; S355-M358 VanDerWaalsContact O-N 3.1Å; S355-D359 PolarHBondContact O-N 3.01Å
356	C	86.4	Confident	79.2	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.074	29%	0.289	C	S	.	.	H	α-helix	trans	-59.2	-42.3	179.3	176.4	0	0	0	0	111.9	F352 T354 D359 I360	F352-C356 HydrophobicContact CD2-CB 4.44Å; F352-C356 HydrophobicContact CE2-CB 3.91Å; F352-C356 HydrophobicContact CZ-CB 4.02Å; F352-C356 VanDerWaalsContact O-CB 3.26Å; F352-C356 WeakPolarHBondContact O-CB 3.42Å; F352-C356 PolarHBondContact O-N 2.85Å; T354-C356 PolarHBondContact O-N 3.05Å; C356-D359 PolarHBondContact O-N 3.43Å; C356-I360 VanDerWaalsContact O-CG1 3.29Å; C356-I360 WeakPolarHBondContact O-CG1 3.36Å; C356-I360 PolarHBondContact O-N 3.04Å
357	L	91.7	Very high	81.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-69.6	-33.2	176.7	-72.3	170.3	0	0	0	112.8	I253 I297 L299 K353 T354 S355 I360 R361 F371 A384 Y385 V388	I253-L357 HydrophobicContact CD1-CD1 3.92Å; I253-L357 HydrophobicContact CD1-CD2 3.59Å; I253-L357 HydrophobicContact CD1-CG 4.41Å; I253-L357 HydrophobicContact CG1-CD2 3.94Å; I253-L357 HydrophobicContact CG2-CD2 4.12Å; I297-L357 HydrophobicContact CD1-CD2 4.05Å; L299-L357 HydrophobicContact CD1-CD1 3.87Å; L299-L357 HydrophobicContact CD1-CD2 3.88Å; L299-L357 HydrophobicContact CD1-CG 3.81Å; L299-L357 HydrophobicContact CD2-CD2 4.45Å; K353-L357 WeakPolarHBondContact O-CB 3.46Å; K353-L357 WeakPolarHBondContact O-CD1 3.32Å; K353-L357 WeakPolarHBondContact O-CG 3.32Å; K353-L357 PolarHBondContact O-N 3.34Å; T354-L357 PolarHBondContact O-N 2.86Å; S355-L357 VanDerWaalsContact C-N 3.31Å; S355-L357 PolarHBondContact O-N 3.1Å; L357-I360 HydrophobicContact CD2-CD1 4.48Å; L357-I360 PolarHBondContact O-N 2.86Å; L357-R361 WeakPolarHBondContact O-CB 3.49Å; L357-R361 PolarHBondContact O-N 2.8Å; L357-F371 HydrophobicContact CB-CZ 4.33Å; L357-F371 HydrophobicContact CD2-CE1 3.73Å; L357-F371 HydrophobicContact CD2-CZ 3.82Å; L357-F371 WeakPolarHBondContact O-CZ 3.25Å; L357-A384 HydrophobicContact CD1-CB 4.39Å; L357-Y385 HydrophobicContact CD1-CD1 3.62Å; L357-Y385 HydrophobicContact CD1-CE1 3.95Å; L357-V388 HydrophobicContact CB-CB 4.4Å; L357-V388 HydrophobicContact CB-CG1 3.53Å; L357-V388 HydrophobicContact CB-CG2 4.19Å; L357-V388 HydrophobicContact CD1-CG2 4.21Å
358	M	90.5	Very high	83.7	Confident	74 Å²	74	50.8 Å²	50.8	37%	0.365	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-41.8	172.8	-70.4	-68.2	-177.1	0	0	111.3	T354 S355 I360 R361 A362 A387 V388	T354-M358 HydrophobicContact CG2-CE 4.41Å; T354-M358 HydrophobicContact CG2-CG 4.47Å; T354-M358 VanDerWaalsContact O-CG 3.24Å; T354-M358 WeakPolarHBondContact O-CG 3.33Å; T354-M358 PolarHBondContact O-N 3.16Å; S355-M358 WeakPolarHBondContact O-CB 3.37Å; S355-M358 PolarHBondContact O-N 2.91Å; S355-M358 VanDerWaalsContact O-N 3.1Å; M358-I360 VanDerWaalsContact C-N 3.32Å; M358-I360 PolarHBondContact O-N 2.85Å; M358-R361 WeakPolarHBondContact O-CB 3.16Å; M358-R361 PolarHBondContact O-N 2.78Å; M358-R361 VanDerWaalsContact O-N 3.14Å; M358-A362 PolarHBondContact O-N 2.98Å; M358-A387 HydrophobicContact CE-CB 4.15Å; M358-A387 WeakPolarHBondContact CE-O 3.32Å; M358-V388 HydrophobicContact CE-CG1 3.9Å; M358-V388 HydrophobicContact CG-CG1 4.09Å; M358-V388 HydrophobicContact SD-CG1 3.81Å
359	D	88.5	Confident	85.7	Confident	87 Å²	87	50.9 Å²	50.9	47%	0.465	28%	0.277	S	S	.	.	H	α-helix	trans	-61.2	-42.8	175.2	-60.3	-23.6	0	0	0	110.7	S355 C356 A362 L363	S355-D359 PolarHBondContact O-N 3.01Å; C356-D359 PolarHBondContact O-N 3.43Å; D359-A362 PolarHBondContact O-N 2.89Å; D359-L363 WeakPolarHBondContact O-CG 3.38Å; D359-L363 PolarHBondContact O-N 3.21Å
360	I	94.5	Very high	87.8	Confident	3 Å²	3	49 Å²	49	2%	0.015	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-42.2	174.5	-68.2	165.2	0	0	0	110.9	L30 L251 I297 F330 C356 L357 M358 A362 L363 F364 F371	L30-I360 HydrophobicContact CD2-CG2 4.09Å; L251-I360 HydrophobicContact CD1-CG2 4.1Å; I297-I360 HydrophobicContact CD1-CD1 3.86Å; F330-I360 HydrophobicContact CD1-CD1 4.21Å; F330-I360 HydrophobicContact CD2-CD1 3.67Å; F330-I360 HydrophobicContact CE1-CD1 4.02Å; F330-I360 HydrophobicContact CE1-CG1 4.16Å; F330-I360 HydrophobicContact CE2-CD1 3.43Å; F330-I360 VanDerWaalsContact CE2-CD1 3.43Å; F330-I360 HydrophobicContact CE2-CG1 4.23Å; F330-I360 HydrophobicContact CG-CD1 4.04Å; F330-I360 HydrophobicContact CZ-CD1 3.62Å; F330-I360 HydrophobicContact CZ-CG1 3.9Å; C356-I360 VanDerWaalsContact O-CG1 3.29Å; C356-I360 WeakPolarHBondContact O-CG1 3.36Å; C356-I360 PolarHBondContact O-N 3.04Å; L357-I360 HydrophobicContact CD2-CD1 4.48Å; L357-I360 PolarHBondContact O-N 2.86Å; M358-I360 VanDerWaalsContact C-N 3.32Å; M358-I360 PolarHBondContact O-N 2.85Å; I360-A362 VanDerWaalsContact C-N 3.26Å; I360-A362 PolarHBondContact O-N 2.93Å; I360-L363 WeakPolarHBondContact O-CB 3.43Å; I360-L363 WeakPolarHBondContact O-CG 3.44Å; I360-L363 PolarHBondContact O-N 3.37Å; I360-L363 VanDerWaalsContact O-N 3.15Å; I360-F364 HydrophobicContact CG2-CE2 4.29Å; I360-F364 VanDerWaalsContact O-CD2 3.29Å; I360-F364 WeakPolarHBondContact O-CD2 3.27Å; I360-F371 HydrophobicContact CB-CZ 4.06Å; I360-F371 HydrophobicContact CG2-CE1 3.96Å; I360-F371 HydrophobicContact CG2-CZ 3.71Å
361	R	94.6	Very high	89.7	Confident	89 Å²	89	46.9 Å²	46.9	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-58.8	-40.6	176.6	-169.6	175.7	168.9	172.9	-4.7	111.5	L357 M358 L363 F364 F371	L357-R361 WeakPolarHBondContact O-CB 3.49Å; L357-R361 PolarHBondContact O-N 2.8Å; M358-R361 WeakPolarHBondContact O-CB 3.16Å; M358-R361 PolarHBondContact O-N 2.78Å; M358-R361 VanDerWaalsContact O-N 3.14Å; R361-L363 PolarHBondContact O-N 2.73Å; R361-F364 PolarHBondContact O-N 2.73Å; R361-F371 HydrophobicContact CB-CE2 3.93Å; R361-F371 HydrophobicContact CG-CE2 4.43Å
362	A	92.6	Very high	91.1	Very high	73 Å²	73	45.3 Å²	45.3	60%	0.603	24%	0.242	S	C	*	.	H	α-helix	trans	-65.9	-15.2	-179.5	0	0	0	0	0	113.5	M358 D359 I360 F364	M358-A362 PolarHBondContact O-N 2.98Å; D359-A362 PolarHBondContact O-N 2.89Å; I360-A362 VanDerWaalsContact C-N 3.26Å; I360-A362 PolarHBondContact O-N 2.93Å; A362-F364 PolarHBondContact O-N 2.85Å
363	L	96.3	Very high	92.2	Very high	10 Å²	10	44.6 Å²	44.6	5%	0.052	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.6	171.5	-49.5	178.5	0	0	0	112.7	L30 I32 Q34 I40 D359 I360 R361	L30-L363 HydrophobicContact CB-CD1 4.11Å; L30-L363 HydrophobicContact CD2-CD1 4.06Å; L30-L363 HydrophobicContact CG-CD1 4.05Å; I32-L363 HydrophobicContact CB-CB 4.33Å; I32-L363 WeakPolarHBondContact CB-O 3.36Å; I32-L363 HydrophobicContact CG1-CB 3.66Å; I32-L363 HydrophobicContact CG1-CD1 4.4Å; Q34-L363 PolarHBondContact NE2-O 2.9Å; I40-L363 HydrophobicContact CG2-CB 4.47Å; I40-L363 HydrophobicContact CG2-CD2 3.8Å; D359-L363 WeakPolarHBondContact O-CG 3.38Å; D359-L363 PolarHBondContact O-N 3.21Å; I360-L363 WeakPolarHBondContact O-CB 3.43Å; I360-L363 WeakPolarHBondContact O-CG 3.44Å; I360-L363 PolarHBondContact O-N 3.37Å; I360-L363 VanDerWaalsContact O-N 3.15Å; R361-L363 PolarHBondContact O-N 2.73Å
364	F	97.4	Very high	92.8	Very high	7 Å²	7	44 Å²	44	3%	0.031	24%	0.236	C	C	.	.	S	Bend	trans	-101.4	158.1	-178.6	-67.1	-98.5	0	0	0	110.9	I32 W247 L251 I360 R361 A362 P370	I32-F364 HydrophobicContact CD1-CE1 3.83Å; I32-F364 HydrophobicContact CD1-CE2 3.78Å; I32-F364 HydrophobicContact CD1-CZ 3.34Å; I32-F364 HydrophobicContact CG1-CD2 4.21Å; I32-F364 HydrophobicContact CG1-CE1 4.2Å; I32-F364 HydrophobicContact CG1-CE2 3.82Å; I32-F364 HydrophobicContact CG1-CZ 3.82Å; I32-F364 HydrophobicContact CG2-CD1 4.04Å; I32-F364 HydrophobicContact CG2-CE1 4.09Å; I32-F364 HydrophobicContact CG2-CG 4.48Å; W247-F364 WeakPolarHBondContact O-CD1 3.32Å; L251-F364 HydrophobicContact CD1-CE2 3.9Å; L251-F364 HydrophobicContact CD1-CZ 3.82Å; L251-F364 HydrophobicContact CG-CZ 4.29Å; I360-F364 HydrophobicContact CG2-CE2 4.29Å; I360-F364 VanDerWaalsContact O-CD2 3.29Å; I360-F364 WeakPolarHBondContact O-CD2 3.27Å; R361-F364 PolarHBondContact O-N 2.73Å; A362-F364 PolarHBondContact O-N 2.85Å; F364-P370 HydrophobicContact CB-CG 4.3Å; F364-P370 HydrophobicContact CD1-CB 3.69Å; F364-P370 HydrophobicContact CD1-CG 4.23Å; F364-P370 HydrophobicContact CD2-CB 3.81Å; F364-P370 HydrophobicContact CD2-CG 3.55Å; F364-P370 HydrophobicContact CE1-CB 3.64Å; F364-P370 HydrophobicContact CE1-CG 4.46Å; F364-P370 HydrophobicContact CE2-CB 3.76Å; F364-P370 HydrophobicContact CE2-CG 3.81Å; F364-P370 HydrophobicContact CG-CB 3.77Å; F364-P370 HydrophobicContact CG-CG 3.77Å; F364-P370 HydrophobicContact CZ-CB 3.66Å; F364-P370 HydrophobicContact CZ-CG 4.26Å
365	P	95.9	Very high	93.3	Very high	23 Å²	23	42.4 Å²	42.4	15%	0.149	23%	0.226	C	C	.	.			trans	-54.8	139.7	172.9	-25.8	34.6	0	0	0	112.2	P35 W247 N367 V368	P35-P365 HydrophobicContact CG-CG 4.33Å; W247-P365 HydrophobicContact CB-CG 4.02Å; W247-P365 HydrophobicContact CE3-CG 4.37Å; P365-N367 VanDerWaalsContact CB-OD1 3.25Å; P365-N367 WeakPolarHBondContact CB-OD1 3.31Å; P365-N367 PolarHBondContact O-N 3.38Å; P365-N367 VanDerWaalsContact O-N 3.08Å; P365-V368 HydrophobicContact CB-CB 4.45Å; P365-V368 HydrophobicContact CB-CG2 4.17Å; P365-V368 PolarHBondContact O-N 2.81Å
366	E	92	Very high	93.7	Very high	192 Å²	192	39.5 Å²	39.5	90%	0.897	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.7	-174.6	-64	-176.4	167.6	0	0	114	V368	E366-V368 VanDerWaalsContact C-N 3.26Å; E366-V368 PolarHBondContact O-N 2.83Å
367	N	91	Very high	93.8	Very high	145 Å²	145	40.7 Å²	40.7	78%	0.775	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-2.2	178.8	65.8	-42	0	0	0	113.8	P365	P365-N367 VanDerWaalsContact CB-OD1 3.25Å; P365-N367 WeakPolarHBondContact CB-OD1 3.31Å; P365-N367 PolarHBondContact O-N 3.38Å; P365-N367 VanDerWaalsContact O-N 3.08Å
368	V	91.3	Very high	93.5	Very high	19 Å²	19	45.3 Å²	45.3	12%	0.115	23%	0.229	C	C	.	.			trans	-119.5	120.3	-176.5	-179.6	0	0	0	0	109.2	W247 P365 E366 P370	W247-V368 HydrophobicContact CE3-CG1 4.46Å; W247-V368 HydrophobicContact CE3-CG2 3.88Å; W247-V368 HydrophobicContact CZ3-CG2 3.71Å; P365-V368 HydrophobicContact CB-CB 4.45Å; P365-V368 HydrophobicContact CB-CG2 4.17Å; P365-V368 PolarHBondContact O-N 2.81Å; E366-V368 VanDerWaalsContact C-N 3.26Å; E366-V368 PolarHBondContact O-N 2.83Å; V368-P370 WeakPolarHBondContact O-CD 3.45Å
369	N	94.8	Very high	93.3	Very high	52 Å²	52	47.6 Å²	47.6	28%	0.278	24%	0.239	S	C	.	.			trans	-88.7	113.7	164.9	-168.9	-9.3	0	0	0	109.3	F371 V388 G389	N369-F371 VanDerWaalsContact C-N 3.31Å; N369-F371 WeakPolarHBondContact OD1-CD2 3.17Å; N369-F371 PolarHBondContact OD1-N 3Å; N369-V388 PolarHBondContact ND2-O 3.34Å; N369-V388 PolarHBondContact OD1-O 2.95Å; N369-G389 WeakPolarHBondContact ND2-CA 3Å; N369-G389 PolarHBondContact ND2-O 3.15Å
370	P	96.8	Very high	93	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.			trans	-72.9	-25.3	178.5	32.8	-38.8	0	0	0	112.3	L251 F364 V368 Y372	L251-P370 HydrophobicContact CD1-CB 3.98Å; L251-P370 HydrophobicContact CD1-CG 4.36Å; L251-P370 HydrophobicContact CG-CB 3.98Å; L251-P370 PolarHBondContact N-O 2.77Å; F364-P370 HydrophobicContact CB-CG 4.3Å; F364-P370 HydrophobicContact CD1-CB 3.69Å; F364-P370 HydrophobicContact CD1-CG 4.23Å; F364-P370 HydrophobicContact CD2-CB 3.81Å; F364-P370 HydrophobicContact CD2-CG 3.55Å; F364-P370 HydrophobicContact CE1-CB 3.64Å; F364-P370 HydrophobicContact CE1-CG 4.46Å; F364-P370 HydrophobicContact CE2-CB 3.76Å; F364-P370 HydrophobicContact CE2-CG 3.81Å; F364-P370 HydrophobicContact CG-CB 3.77Å; F364-P370 HydrophobicContact CG-CG 3.77Å; F364-P370 HydrophobicContact CZ-CB 3.66Å; F364-P370 HydrophobicContact CZ-CG 4.26Å; V368-P370 WeakPolarHBondContact O-CD 3.45Å; P370-Y372 PolarHBondContact O-N 2.93Å
371	F	97.7	Very high	92.8	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	111.7	-171.6	-54.7	-67.2	0	0	0	112.1	L251 I253 I297 L357 I360 R361 N369 V388 V390	L251-F371 HydrophobicContact CB-CD1 4Å; L251-F371 HydrophobicContact CB-CE1 4.49Å; L251-F371 HydrophobicContact CD1-CD1 4.24Å; L251-F371 HydrophobicContact CD1-CE1 3.98Å; I253-F371 HydrophobicContact CD1-CB 4.38Å; I253-F371 HydrophobicContact CD1-CD1 3.64Å; I253-F371 HydrophobicContact CD1-CE1 4.09Å; I253-F371 HydrophobicContact CD1-CG 4.07Å; I253-F371 HydrophobicContact CG1-CD1 3.67Å; I253-F371 HydrophobicContact CG1-CE1 4.09Å; I297-F371 HydrophobicContact CD1-CE1 3.91Å; L357-F371 HydrophobicContact CB-CZ 4.33Å; L357-F371 HydrophobicContact CD2-CE1 3.73Å; L357-F371 HydrophobicContact CD2-CZ 3.82Å; L357-F371 WeakPolarHBondContact O-CZ 3.25Å; I360-F371 HydrophobicContact CB-CZ 4.06Å; I360-F371 HydrophobicContact CG2-CE1 3.96Å; I360-F371 HydrophobicContact CG2-CZ 3.71Å; R361-F371 HydrophobicContact CB-CE2 3.93Å; R361-F371 HydrophobicContact CG-CE2 4.43Å; N369-F371 VanDerWaalsContact C-N 3.31Å; N369-F371 WeakPolarHBondContact OD1-CD2 3.17Å; N369-F371 PolarHBondContact OD1-N 3Å; F371-V388 HydrophobicContact CD2-CB 3.79Å; F371-V388 HydrophobicContact CD2-CG2 3.57Å; F371-V388 HydrophobicContact CE2-CB 3.75Å; F371-V388 HydrophobicContact CE2-CG1 4.35Å; F371-V388 HydrophobicContact CE2-CG2 3.78Å; F371-V388 HydrophobicContact CG-CG2 4.14Å; F371-V390 HydrophobicContact CB-CG2 3.52Å; F371-V390 HydrophobicContact CG-CG2 4.43Å
372	Y	96.5	Very high	92.5	Very high	39 Å²	39	42.6 Å²	42.6	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-45.6	179.8	-170.7	-97.5	0	0	0	112.3	L251 Y294 P370 R394 I425 F426 P427	L251-Y372 WeakPolarHBondContact O-CB 3.49Å; L251-Y372 PolarHBondContact O-N 2.8Å; Y294-Y372 AromaticContact CD1-CD1 3.94Å; Y294-Y372 HydrophobicContact CD1-CD1 3.94Å; Y294-Y372 HydrophobicContact CD1-CE1 4.39Å; Y294-Y372 AromaticContact CD1-CG 4Å; Y294-Y372 HydrophobicContact CD1-CG 4Å; Y294-Y372 AromaticContact CE1-CD1 3.45Å; Y294-Y372 HydrophobicContact CE1-CD1 3.45Å; Y294-Y372 VanDerWaalsContact CE1-CD1 3.45Å; Y294-Y372 AromaticContact CE1-CD2 3.72Å; Y294-Y372 HydrophobicContact CE1-CD2 3.72Å; Y294-Y372 AromaticContact CE1-CE1 3.54Å; Y294-Y372 HydrophobicContact CE1-CE1 3.54Å; Y294-Y372 AromaticContact CE1-CE2 3.8Å; Y294-Y372 HydrophobicContact CE1-CE2 3.8Å; Y294-Y372 AromaticContact CE1-CG 3.53Å; Y294-Y372 HydrophobicContact CE1-CG 3.53Å; Y294-Y372 AromaticContact CE1-CZ 3.7Å; Y294-Y372 AromaticContact CZ-CE1 3.9Å; Y294-Y372 AromaticContact CZ-CZ 3.89Å; Y294-Y372 PolarHBondContact OH-OH 2.76Å; P370-Y372 PolarHBondContact O-N 2.93Å; Y372-R394 WeakPolarHBondContact O-CB 3.44Å; Y372-R394 WeakPolarHBondContact O-CD 3.3Å; Y372-R394 VanDerWaalsContact OH-CZ 3.24Å; Y372-R394 PolarHBondContact OH-NH1 3.38Å; Y372-R394 VanDerWaalsContact OH-NH1 3.15Å; Y372-R394 PolarHBondContact OH-NH2 2.78Å; Y372-I425 WeakPolarHBondContact CE1-O 3.48Å; Y372-I425 PolarHBondContact OH-O 3Å; Y372-I425 VanDerWaalsContact OH-O 3.14Å; Y372-F426 AromaticContact CD1-CD1 3.64Å; Y372-F426 HydrophobicContact CD1-CD1 3.64Å; Y372-F426 AromaticContact CD1-CE1 3.67Å; Y372-F426 HydrophobicContact CD1-CE1 3.67Å; Y372-F426 AromaticContact CE1-CD1 3.56Å; Y372-F426 HydrophobicContact CE1-CD1 3.56Å; Y372-F426 AromaticContact CE1-CE1 3.93Å; Y372-F426 HydrophobicContact CE1-CE1 3.93Å; Y372-F426 HydrophobicContact CE1-CG 4.32Å; Y372-P427 WeakPolarHBondContact OH-CD 3.33Å
373	A	96.3	Very high	92.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	163.8	-178	0	0	0	0	0	111.4	V252 I253 R394 F396 F426	V252-A373 WeakPolarHBondContact CA-O 3.27Å; V252-A373 HydrophobicContact CG1-CB 4.33Å; V252-A373 HydrophobicContact CG2-CB 4.46Å; I253-A373 PolarHBondContact N-O 2.88Å; A373-R394 WeakPolarHBondContact CA-O 3.27Å; A373-R394 HydrophobicContact CB-CB 4.11Å; A373-R394 WeakPolarHBondContact CB-O 3.26Å; A373-F396 HydrophobicContact CB-CE2 4.29Å; A373-F426 HydrophobicContact CB-CE1 3.55Å; A373-F426 HydrophobicContact CB-CZ 3.64Å
374	G	96	Very high	92.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	137.9	175.6	0	0	0	0	0	111.7	I253 R394 I395 F396	I253-G374 CarbonylContact O-C 3.53Å; I253-G374 WeakPolarHBondContact O-CA 3.4Å; G374-R394 PolarHBondContact N-O 2.82Å; G374-I395 CarbonylContact O-C 3.53Å; G374-I395 WeakPolarHBondContact O-CA 3.36Å; G374-F396 PolarHBondContact O-N 2.64Å
375	V	94.8	Very high	91.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	118.3	176.3	-166.1	0	0	0	0	107.9	I253 S254 D255 T259 F285 F286 Y385 F396 I398 Y415	I253-V375 PolarHBondContact O-N 3.33Å; S254-V375 CarbonylContact C-O 3.56Å; S254-V375 WeakPolarHBondContact CA-O 3.36Å; D255-V375 PolarHBondContact N-O 2.93Å; T259-V375 HydrophobicContact CG2-CB 4.28Å; T259-V375 HydrophobicContact CG2-CG1 3.69Å; F285-V375 HydrophobicContact CE1-CG2 4.18Å; F286-V375 HydrophobicContact CE1-CG2 4.34Å; F286-V375 HydrophobicContact CZ-CB 4.29Å; F286-V375 HydrophobicContact CZ-CG2 4.12Å; V375-Y385 PolarHBondContact O-OH 3.18Å; V375-F396 WeakPolarHBondContact CA-O 3.21Å; V375-F396 HydrophobicContact CG1-CB 4.43Å; V375-F396 HydrophobicContact CG2-CD2 4.28Å; V375-I398 HydrophobicContact CG1-CD1 4.13Å; V375-I398 HydrophobicContact CG1-CG1 3.76Å; V375-Y415 HydrophobicContact CG1-CE1 4.28Å; V375-Y415 WeakPolarHBondContact CG1-OH 3.35Å
376	G	92.3	Very high	91.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	-171.7	-179.3	0	0	0	0	0	110.7	T259 F396 L397 I398	T259-G376 WeakPolarHBondContact OG1-CA 3.42Å; T259-G376 PolarHBondContact OG1-O 3.01Å; G376-F396 PolarHBondContact N-O 3.24Å; G376-L397 CarbonylContact O-C 3.56Å; G376-L397 VanDerWaalsContact O-CA 3.27Å; G376-L397 WeakPolarHBondContact O-CA 3.33Å; G376-I398 PolarHBondContact O-N 2.62Å
377	N	88.1	Confident	91.8	Very high	35 Å²	35	36.7 Å²	36.7	19%	0.187	19%	0.187	C	C	.	.	S	Bend	trans	-130.8	-15	178.9	65.7	-43.6	0	0	0	113.3	D255 D257 T259 D264 D381 I398	D255-N377 PolarHBondContact OD2-OD1 3Å; D255-N377 VanDerWaalsContact OD2-OD1 3.07Å; D257-N377 PolarHBondContact O-ND2 3.31Å; D257-N377 PolarHBondContact O-OD1 3.47Å; T259-N377 WeakPolarHBondContact OG1-CB 3.4Å; T259-N377 PolarHBondContact OG1-N 3.28Å; T259-N377 VanDerWaalsContact OG1-N 3.17Å; T259-N377 PolarHBondContact OG1-OD1 3.29Å; D264-N377 PolarHBondContact OD1-ND2 2.79Å; N377-D381 PolarHBondContact N-OD2 2.91Å; N377-D381 PolarHBondContact OD1-OD2 2.98Å; N377-I398 VanDerWaalsContact CA-O 3.32Å; N377-I398 WeakPolarHBondContact CA-O 3.39Å; N377-I398 WeakPolarHBondContact CB-O 3.49Å
378	R	85.5	Confident	91.9	Very high	98 Å²	98	29.8 Å²	29.8	37%	0.37	15%	0.15	S	C	.	.	S	Bend	trans	-115.2	155.2	-176.8	-62.5	179.5	175.7	-165.6	0.3	111.3	D264 N380 D381 F382 L397	D264-R378 IonicContact OD1-NH2 2.71Å; D264-R378 IonicContact OD2-CZ 3.77Å; D264-R378 IonicContact OD2-NE 3.65Å; D264-R378 IonicContact OD2-NH2 3.78Å; D264-R378 PolarHBondContact OD2-NH2 3Å; R378-N380 HydrophobicContact CB-CB 4.3Å; R378-N380 PolarHBondContact O-N 2.95Å; R378-D381 PolarHBondContact N-OD2 2.88Å; R378-D381 WeakPolarHBondContact O-CB 3.42Å; R378-D381 PolarHBondContact O-N 3.13Å; R378-F382 PolarHBondContact O-N 3.22Å; R378-L397 WeakPolarHBondContact O-CD2 3.39Å
379	H	85.7	Confident	92	Very high	122 Å²	122	30.6 Å²	30.6	57%	0.565	16%	0.162	S	C	*	.	H	α-helix	trans	-56.5	-31.5	170.9	-174	67.6	0	0	0	112.1	D381 F382 I383	H379-D381 VanDerWaalsContact C-N 3.27Å; H379-D381 PolarHBondContact O-N 2.77Å; H379-F382 VanDerWaalsContact O-CB 3.29Å; H379-F382 WeakPolarHBondContact O-CB 3.31Å; H379-F382 PolarHBondContact O-N 3.11Å; H379-F382 VanDerWaalsContact O-N 3.12Å; H379-I383 PolarHBondContact O-N 3.02Å; H379-I383 VanDerWaalsContact O-N 3.08Å
380	N	83.5	Confident	92	Very high	39 Å²	39	28.2 Å²	28.2	21%	0.209	15%	0.149	C	C	.	.	H	α-helix	trans	-62.5	-33.5	176.7	-67.4	21.8	0	0	0	112.6	E350 R378 I383 A384	E350-N380 HydrophobicContact CG-CB 3.44Å; E350-N380 VanDerWaalsContact CG-CB 3.44Å; E350-N380 VanDerWaalsContact CG-CG 3.47Å; E350-N380 WeakPolarHBondContact CG-ND2 3.34Å; E350-N380 PolarHBondContact OE1-ND2 3.13Å; E350-N380 PolarHBondContact OE1-OD1 3.2Å; E350-N380 VanDerWaalsContact OE1-OD1 3.1Å; R378-N380 HydrophobicContact CB-CB 4.3Å; R378-N380 PolarHBondContact O-N 2.95Å; N380-I383 PolarHBondContact O-N 2.77Å; N380-A384 PolarHBondContact O-N 3.02Å; N380-A384 VanDerWaalsContact O-N 3.08Å
381	D	88.9	Confident	91.7	Very high	2 Å²	2	30 Å²	30	1%	0.011	16%	0.16	C	C	.	.	H	α-helix	trans	-69.2	-40.1	175	-55.2	-39.8	0	0	0	110.5	K353 N377 R378 H379 I383 A384 Y385 L397	K353-D381 WeakPolarHBondContact CD-OD1 3.48Å; K353-D381 IonicContact NZ-OD1 3.45Å; K353-D381 PolarHBondContact NZ-OD1 2.94Å; K353-D381 IonicContact NZ-OD2 2.68Å; N377-D381 PolarHBondContact N-OD2 2.91Å; N377-D381 PolarHBondContact OD1-OD2 2.98Å; R378-D381 PolarHBondContact N-OD2 2.88Å; R378-D381 WeakPolarHBondContact O-CB 3.42Å; R378-D381 PolarHBondContact O-N 3.13Å; H379-D381 VanDerWaalsContact C-N 3.27Å; H379-D381 PolarHBondContact O-N 2.77Å; D381-I383 VanDerWaalsContact C-N 3.33Å; D381-I383 PolarHBondContact O-N 2.99Å; D381-A384 PolarHBondContact O-N 3.2Å; D381-Y385 HydrophobicContact CB-CD2 4.36Å; D381-Y385 HydrophobicContact CB-CE1 4.47Å; D381-Y385 HydrophobicContact CB-CE2 3.73Å; D381-Y385 WeakPolarHBondContact O-CB 3.44Å; D381-Y385 WeakPolarHBondContact O-CD1 3.33Å; D381-Y385 VanDerWaalsContact O-CD2 3.24Å; D381-Y385 WeakPolarHBondContact O-CD2 2.94Å; D381-Y385 PolarHBondContact O-N 3.23Å; D381-L397 HydrophobicContact CB-CD2 4.36Å
382	F	90.2	Very high	91.3	Very high	32 Å²	32	32.2 Å²	32.2	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-46.2	174.3	173.7	-85.4	0	0	0	111.7	R378 H379 N386 P392 I395 L397 L407	R378-F382 PolarHBondContact O-N 3.22Å; H379-F382 VanDerWaalsContact O-CB 3.29Å; H379-F382 WeakPolarHBondContact O-CB 3.31Å; H379-F382 PolarHBondContact O-N 3.11Å; H379-F382 VanDerWaalsContact O-N 3.12Å; F382-N386 HydrophobicContact CE1-CB 4.47Å; F382-N386 WeakPolarHBondContact O-CB 3.46Å; F382-N386 PolarHBondContact O-N 2.94Å; F382-P392 HydrophobicContact CE2-CB 3.99Å; F382-P392 HydrophobicContact CZ-CB 4.12Å; F382-P392 HydrophobicContact CZ-CG 4.38Å; F382-I395 HydrophobicContact CB-CG2 4.3Å; F382-I395 HydrophobicContact CD2-CB 4.08Å; F382-I395 HydrophobicContact CD2-CD1 3.79Å; F382-I395 HydrophobicContact CD2-CG2 3.78Å; F382-I395 HydrophobicContact CE2-CB 4.49Å; F382-I395 HydrophobicContact CE2-CD1 3.92Å; F382-I395 HydrophobicContact CG-CD1 4.46Å; F382-I395 HydrophobicContact CG-CG2 4.5Å; F382-L397 HydrophobicContact CB-CD1 4.13Å; F382-L397 HydrophobicContact CB-CD2 4.26Å; F382-L407 HydrophobicContact CD2-CD1 4.47Å; F382-L407 HydrophobicContact CE2-CD1 3.45Å; F382-L407 VanDerWaalsContact CE2-CD1 3.45Å; F382-L407 HydrophobicContact CE2-CG 4.3Å; F382-L407 HydrophobicContact CZ-CD1 3.54Å
383	I	89.6	Confident	90.9	Very high	66 Å²	66	38 Å²	38	34%	0.338	20%	0.197	S	C	.	.	H	α-helix	trans	-60.2	-49.3	177.3	-64.1	171.5	0	0	0	110.4	H379 N380 D381 Y385 N386 A387	H379-I383 PolarHBondContact O-N 3.02Å; H379-I383 VanDerWaalsContact O-N 3.08Å; N380-I383 PolarHBondContact O-N 2.77Å; D381-I383 VanDerWaalsContact C-N 3.33Å; D381-I383 PolarHBondContact O-N 2.99Å; I383-Y385 PolarHBondContact O-N 3.45Å; I383-N386 PolarHBondContact O-N 2.92Å; I383-A387 WeakPolarHBondContact O-CB 3.48Å; I383-A387 PolarHBondContact O-N 3.03Å
384	A	89	Confident	90.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-44.7	-178.5	0	0	0	0	0	112.5	K353 T354 L357 N380 D381 A387 V388	K353-A384 HydrophobicContact CB-CB 4.02Å; T354-A384 WeakPolarHBondContact OG1-CB 2.97Å; L357-A384 HydrophobicContact CD1-CB 4.39Å; N380-A384 PolarHBondContact O-N 3.02Å; N380-A384 VanDerWaalsContact O-N 3.08Å; D381-A384 PolarHBondContact O-N 3.2Å; A384-A387 PolarHBondContact O-N 3.01Å; A384-V388 PolarHBondContact O-N 2.81Å
385	Y	94.3	Very high	90.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71	-39.2	-178.7	-56.1	-17.7	0	0	0	111.7	I253 L299 L357 V375 D381 I383 A387 V388 G389 V390 I395	I253-Y385 HydrophobicContact CB-CD1 4.43Å; I253-Y385 HydrophobicContact CB-CE1 4.21Å; I253-Y385 HydrophobicContact CD1-CD1 3.77Å; I253-Y385 HydrophobicContact CD1-CE1 4.31Å; I253-Y385 HydrophobicContact CD1-CG 4.23Å; I253-Y385 HydrophobicContact CG2-CD1 4.07Å; I253-Y385 HydrophobicContact CG2-CE1 3.47Å; I253-Y385 VanDerWaalsContact CG2-CE1 3.47Å; L299-Y385 HydrophobicContact CD1-CE1 4.13Å; L357-Y385 HydrophobicContact CD1-CD1 3.62Å; L357-Y385 HydrophobicContact CD1-CE1 3.95Å; V375-Y385 PolarHBondContact O-OH 3.18Å; D381-Y385 HydrophobicContact CB-CD2 4.36Å; D381-Y385 HydrophobicContact CB-CE1 4.47Å; D381-Y385 HydrophobicContact CB-CE2 3.73Å; D381-Y385 WeakPolarHBondContact O-CB 3.44Å; D381-Y385 WeakPolarHBondContact O-CD1 3.33Å; D381-Y385 VanDerWaalsContact O-CD2 3.24Å; D381-Y385 WeakPolarHBondContact O-CD2 2.94Å; D381-Y385 PolarHBondContact O-N 3.23Å; I383-Y385 PolarHBondContact O-N 3.45Å; Y385-A387 VanDerWaalsContact C-N 3.33Å; Y385-V388 VanDerWaalsContact O-CG2 3.28Å; Y385-V388 WeakPolarHBondContact O-CG2 3.21Å; Y385-V388 PolarHBondContact O-N 3.29Å; Y385-G389 PolarHBondContact O-N 3.42Å; Y385-V390 VanDerWaalsContact O-CB 3.3Å; Y385-V390 WeakPolarHBondContact O-CB 3.39Å; Y385-V390 WeakPolarHBondContact O-CG2 3.34Å; Y385-V390 PolarHBondContact O-N 3.06Å; Y385-I395 HydrophobicContact CD2-CG2 4.02Å
386	N	92.9	Very high	90.3	Very high	71 Å²	71	40.7 Å²	40.7	38%	0.38	21%	0.208	S	C	.	.	H	α-helix	trans	-65.9	-37.1	176.2	-173	58.8	0	0	0	111.5	F382 I383 V388 G389 I395	F382-N386 HydrophobicContact CE1-CB 4.47Å; F382-N386 WeakPolarHBondContact O-CB 3.46Å; F382-N386 PolarHBondContact O-N 2.94Å; I383-N386 PolarHBondContact O-N 2.92Å; N386-V388 VanDerWaalsContact C-N 3.28Å; N386-V388 PolarHBondContact O-N 3.25Å; N386-G389 PolarHBondContact O-N 2.83Å; N386-I395 HydrophobicContact CB-CD1 4.02Å
387	A	91.6	Very high	90.3	Very high	45 Å²	45	41.8 Å²	41.8	37%	0.372	21%	0.214	S	C	.	.	H	α-helix	trans	-61.6	-34.3	177.6	0	0	0	0	0	113	T354 M358 I383 A384 Y385 G389	T354-A387 HydrophobicContact CG2-CB 4.04Å; M358-A387 HydrophobicContact CE-CB 4.15Å; M358-A387 WeakPolarHBondContact CE-O 3.32Å; I383-A387 WeakPolarHBondContact O-CB 3.48Å; I383-A387 PolarHBondContact O-N 3.03Å; A384-A387 PolarHBondContact O-N 3.01Å; Y385-A387 VanDerWaalsContact C-N 3.33Å; A387-G389 VanDerWaalsContact C-N 3.25Å; A387-G389 PolarHBondContact O-N 3.15Å
388	V	93.7	Very high	90.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	8.8	174.6	-59	0	0	0	0	113.8	I253 L357 M358 N369 F371 A384 Y385 N386 V390	I253-V388 HydrophobicContact CD1-CG2 4.29Å; L357-V388 HydrophobicContact CB-CB 4.4Å; L357-V388 HydrophobicContact CB-CG1 3.53Å; L357-V388 HydrophobicContact CB-CG2 4.19Å; L357-V388 HydrophobicContact CD1-CG2 4.21Å; M358-V388 HydrophobicContact CE-CG1 3.9Å; M358-V388 HydrophobicContact CG-CG1 4.09Å; M358-V388 HydrophobicContact SD-CG1 3.81Å; N369-V388 PolarHBondContact ND2-O 3.34Å; N369-V388 PolarHBondContact OD1-O 2.95Å; F371-V388 HydrophobicContact CD2-CB 3.79Å; F371-V388 HydrophobicContact CD2-CG2 3.57Å; F371-V388 HydrophobicContact CE2-CB 3.75Å; F371-V388 HydrophobicContact CE2-CG1 4.35Å; F371-V388 HydrophobicContact CE2-CG2 3.78Å; F371-V388 HydrophobicContact CG-CG2 4.14Å; A384-V388 PolarHBondContact O-N 2.81Å; Y385-V388 VanDerWaalsContact O-CG2 3.28Å; Y385-V388 WeakPolarHBondContact O-CG2 3.21Å; Y385-V388 PolarHBondContact O-N 3.29Å; N386-V388 VanDerWaalsContact C-N 3.28Å; N386-V388 PolarHBondContact O-N 3.25Å; V388-V390 HydrophobicContact CG2-CG2 4.33Å
389	G	93.2	Very high	90.1	Very high	36 Å²	36	36.5 Å²	36.5	37%	0.371	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	15.6	171	0	0	0	0	0	115.1	N369 Y385 N386 A387 P391	N369-G389 WeakPolarHBondContact ND2-CA 3Å; N369-G389 PolarHBondContact ND2-O 3.15Å; Y385-G389 PolarHBondContact O-N 3.42Å; N386-G389 PolarHBondContact O-N 2.83Å; A387-G389 VanDerWaalsContact C-N 3.25Å; A387-G389 PolarHBondContact O-N 3.15Å; G389-P391 WeakPolarHBondContact O-CD 3.38Å
390	V	95.4	Very high	89.5	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.006	20%	0.198	C	C	.	.			trans	-65.9	123.5	167.5	-177.3	0	0	0	0	108.2	I253 F371 Y385 V388 R394 I395	I253-V390 HydrophobicContact CD1-CG2 4.03Å; F371-V390 HydrophobicContact CB-CG2 3.52Å; F371-V390 HydrophobicContact CG-CG2 4.43Å; Y385-V390 VanDerWaalsContact O-CB 3.3Å; Y385-V390 WeakPolarHBondContact O-CB 3.39Å; Y385-V390 WeakPolarHBondContact O-CG2 3.34Å; Y385-V390 PolarHBondContact O-N 3.06Å; V388-V390 HydrophobicContact CG2-CG2 4.33Å; V390-R394 HydrophobicContact CG1-CB 4.2Å; V390-I395 HydrophobicContact CB-CD1 4.34Å; V390-I395 HydrophobicContact CB-CG1 4.14Å; V390-I395 HydrophobicContact CG1-CD1 4.33Å; V390-I395 HydrophobicContact CG1-CG1 3.62Å
391	P	91.1	Very high	89.1	Confident	37 Å²	37	43.8 Å²	43.8	24%	0.24	23%	0.226	C	C	.	.			trans	-59.3	137.7	179.1	-24.3	34.2	0	0	0	111	G389 R393 R394	G389-P391 WeakPolarHBondContact O-CD 3.38Å; P391-R393 HydrophobicContact CB-CG 4.13Å; P391-R393 PolarHBondContact O-N 3.43Å; P391-R394 HydrophobicContact CB-CG 4.39Å; P391-R394 WeakPolarHBondContact O-CA 3.48Å; P391-R394 PolarHBondContact O-N 3.45Å
392	P	88.8	Confident	88.2	Confident	54 Å²	54	44 Å²	44	35%	0.351	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-52.3	-32.9	-179.3	-31.5	35.6	0	0	0	114.7	F382 R394 I395 L407	F382-P392 HydrophobicContact CE2-CB 3.99Å; F382-P392 HydrophobicContact CZ-CB 4.12Å; F382-P392 HydrophobicContact CZ-CG 4.38Å; P392-R394 PolarHBondContact O-N 2.78Å; P392-I395 PolarHBondContact O-N 2.76Å; P392-L407 HydrophobicContact CB-CD1 4.04Å
393	R	87.2	Confident	87.4	Confident	160 Å²	160	45.3 Å²	45.3	60%	0.604	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-70.5	-12.1	176.5	65.9	176.6	177.3	-94.2	-0.6	114.8	P391	P391-R393 HydrophobicContact CB-CG 4.13Å; P391-R393 PolarHBondContact O-N 3.43Å
394	R	92.1	Very high	86.7	Confident	41 Å²	41	42.4 Å²	42.4	16%	0.155	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-110.8	11.8	177.5	-60.4	-170.8	173	-83.5	6.7	111.9	Y372 A373 G374 V390 P391 P392 I425	Y372-R394 WeakPolarHBondContact O-CB 3.44Å; Y372-R394 WeakPolarHBondContact O-CD 3.3Å; Y372-R394 VanDerWaalsContact OH-CZ 3.24Å; Y372-R394 PolarHBondContact OH-NH1 3.38Å; Y372-R394 VanDerWaalsContact OH-NH1 3.15Å; Y372-R394 PolarHBondContact OH-NH2 2.78Å; A373-R394 WeakPolarHBondContact CA-O 3.27Å; A373-R394 HydrophobicContact CB-CB 4.11Å; A373-R394 WeakPolarHBondContact CB-O 3.26Å; G374-R394 PolarHBondContact N-O 2.82Å; V390-R394 HydrophobicContact CG1-CB 4.2Å; P391-R394 HydrophobicContact CB-CG 4.39Å; P391-R394 WeakPolarHBondContact O-CA 3.48Å; P391-R394 PolarHBondContact O-N 3.45Å; P392-R394 PolarHBondContact O-N 2.78Å; R394-I425 PolarHBondContact NH1-O 3.47Å
395	I	92.3	Very high	85.7	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.015	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121	171.4	-60.6	172.3	0	0	0	108	G374 F382 Y385 N386 V390 P392 L397	G374-I395 CarbonylContact O-C 3.53Å; G374-I395 WeakPolarHBondContact O-CA 3.36Å; F382-I395 HydrophobicContact CB-CG2 4.3Å; F382-I395 HydrophobicContact CD2-CB 4.08Å; F382-I395 HydrophobicContact CD2-CD1 3.79Å; F382-I395 HydrophobicContact CD2-CG2 3.78Å; F382-I395 HydrophobicContact CE2-CB 4.49Å; F382-I395 HydrophobicContact CE2-CD1 3.92Å; F382-I395 HydrophobicContact CG-CD1 4.46Å; F382-I395 HydrophobicContact CG-CG2 4.5Å; Y385-I395 HydrophobicContact CD2-CG2 4.02Å; N386-I395 HydrophobicContact CB-CD1 4.02Å; V390-I395 HydrophobicContact CB-CD1 4.34Å; V390-I395 HydrophobicContact CB-CG1 4.14Å; V390-I395 HydrophobicContact CG1-CD1 4.33Å; V390-I395 HydrophobicContact CG1-CG1 3.62Å; P392-I395 PolarHBondContact O-N 2.76Å; I395-L397 HydrophobicContact CG2-CD2 4.2Å
396	F	91.9	Very high	84.1	Confident	12 Å²	12	49.6 Å²	49.6	5%	0.053	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	110.9	-177.2	-53.9	-73.6	0	0	0	109.2	A373 G374 V375 G376 V404 L418 I425 F426	A373-F396 HydrophobicContact CB-CE2 4.29Å; G374-F396 PolarHBondContact O-N 2.64Å; V375-F396 WeakPolarHBondContact CA-O 3.21Å; V375-F396 HydrophobicContact CG1-CB 4.43Å; V375-F396 HydrophobicContact CG2-CD2 4.28Å; G376-F396 PolarHBondContact N-O 3.24Å; F396-V404 HydrophobicContact CB-CG1 3.84Å; F396-V404 HydrophobicContact CD1-CG1 3.92Å; F396-V404 HydrophobicContact CG-CG1 4.38Å; F396-L418 HydrophobicContact CB-CD1 4.5Å; F396-L418 HydrophobicContact CD1-CD1 4.44Å; F396-L418 HydrophobicContact CD1-CD2 4.06Å; F396-L418 HydrophobicContact CE1-CD2 4.01Å; F396-L418 HydrophobicContact CG-CD1 4.38Å; F396-I425 HydrophobicContact CE2-CG2 4.24Å; F396-I425 HydrophobicContact CZ-CG2 3.7Å; F396-F426 HydrophobicContact CE2-CE2 4.41Å; F396-F426 HydrophobicContact CE2-CZ 4.18Å
397	L	90.5	Very high	82.3	Confident	24 Å²	24	52.1 Å²	52.1	13%	0.126	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.9	177.4	-62.3	-176.1	0	0	0	110.8	G376 R378 D381 F382 I395 V404 Q405	G376-L397 CarbonylContact O-C 3.56Å; G376-L397 VanDerWaalsContact O-CA 3.27Å; G376-L397 WeakPolarHBondContact O-CA 3.33Å; R378-L397 WeakPolarHBondContact O-CD2 3.39Å; D381-L397 HydrophobicContact CB-CD2 4.36Å; F382-L397 HydrophobicContact CB-CD1 4.13Å; F382-L397 HydrophobicContact CB-CD2 4.26Å; I395-L397 HydrophobicContact CG2-CD2 4.2Å; L397-V404 CarbonylContact O-C 3.55Å; L397-V404 VanDerWaalsContact O-CA 3.26Å; L397-V404 WeakPolarHBondContact O-CA 3.38Å; L397-Q405 HydrophobicContact CB-CB 4.39Å; L397-Q405 PolarHBondContact O-N 3.18Å
398	I	87.5	Confident	80.5	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.1	-179	-48.8	-58.2	0	0	0	109.7	T259 Q279 V375 G376 N377 V404 Y415	T259-I398 HydrophobicContact CG2-CG1 4.31Å; Q279-I398 HydrophobicContact CG-CG2 4.36Å; V375-I398 HydrophobicContact CG1-CD1 4.13Å; V375-I398 HydrophobicContact CG1-CG1 3.76Å; G376-I398 PolarHBondContact O-N 2.62Å; N377-I398 VanDerWaalsContact CA-O 3.32Å; N377-I398 WeakPolarHBondContact CA-O 3.39Å; N377-I398 WeakPolarHBondContact CB-O 3.49Å; I398-V404 HydrophobicContact CD1-CB 4.25Å; I398-V404 HydrophobicContact CD1-CG2 3.35Å; I398-Y415 HydrophobicContact CB-CE2 4.46Å; I398-Y415 HydrophobicContact CD1-CD2 4.42Å; I398-Y415 HydrophobicContact CD1-CE1 4.4Å; I398-Y415 HydrophobicContact CD1-CE2 3.96Å; I398-Y415 HydrophobicContact CG1-CE2 3.83Å; I398-Y415 HydrophobicContact CG2-CD2 4.46Å; I398-Y415 HydrophobicContact CG2-CE2 3.88Å
399	N	83	Confident	78.5	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.102	32%	0.32	C	S	.	.			trans	-80.7	167.9	172.9	80.7	6.5	0	0	0	111.1	Q279 R401 G402 E403	Q279-N399 PolarHBondContact NE2-O 3.43Å; N399-R401 PolarHBondContact O-N 2.78Å; N399-R401 VanDerWaalsContact OD1-CA 3.31Å; N399-R401 WeakPolarHBondContact OD1-CA 3.21Å; N399-R401 WeakPolarHBondContact OD1-CB 3.46Å; N399-R401 PolarHBondContact OD1-N 3.15Å; N399-G402 PolarHBondContact O-N 2.85Å; N399-G402 PolarHBondContact OD1-N 2.95Å; N399-E403 PolarHBondContact N-O 3.49Å; N399-E403 WeakPolarHBondContact ND2-CB 3.3Å; N399-E403 PolarHBondContact ND2-OE2 2.85Å; N399-E403 WeakPolarHBondContact OD1-CB 3.13Å; N399-E403 PolarHBondContact OD1-N 2.68Å; N399-E403 PolarHBondContact OD1-O 3.31Å
400	P	73.4	Confident	76.5	Confident	104 Å²	104	69.2 Å²	69.2	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.4	179.1	-26.7	35.9	0	0	0	115.1	G402	P400-G402 VanDerWaalsContact C-N 3.32Å
401	R	74.2	Confident	74.6	Confident	210 Å²	210	74.2 Å²	74.2	79%	0.792	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-5.2	174.9	-60.2	179.8	178.9	-174.7	-1.1	113	N399 E403	N399-R401 PolarHBondContact O-N 2.78Å; N399-R401 VanDerWaalsContact OD1-CA 3.31Å; N399-R401 WeakPolarHBondContact OD1-CA 3.21Å; N399-R401 WeakPolarHBondContact OD1-CB 3.46Å; N399-R401 PolarHBondContact OD1-N 3.15Å; R401-E403 HydrophobicContact CB-CG 4.07Å
402	G	69.8	Low	73	Confident	7 Å²	7	75 Å²	75	7%	0.072	37%	0.372	C	S	.	.	S	Bend	trans	86.5	14.9	-177.6	0	0	0	0	0	114.1	Q279 N399 P400 S414	Q279-G402 VanDerWaalsContact OE1-CA 3.24Å; N399-G402 PolarHBondContact O-N 2.85Å; N399-G402 PolarHBondContact OD1-N 2.95Å; P400-G402 VanDerWaalsContact C-N 3.32Å; G402-S414 WeakPolarHBondContact O-CA 3.47Å
403	E	74.6	Confident	72.3	Confident	59 Å²	59	74.1 Å²	74.1	28%	0.276	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.7	179.7	-44.4	174.2	124.5	0	0	110.6	N399 R401 S412 L413	N399-E403 PolarHBondContact N-O 3.49Å; N399-E403 WeakPolarHBondContact ND2-CB 3.3Å; N399-E403 PolarHBondContact ND2-OE2 2.85Å; N399-E403 WeakPolarHBondContact OD1-CB 3.13Å; N399-E403 PolarHBondContact OD1-N 2.68Å; N399-E403 PolarHBondContact OD1-O 3.31Å; R401-E403 HydrophobicContact CB-CG 4.07Å; E403-S412 WeakPolarHBondContact CB-OG 3Å; E403-S412 WeakPolarHBondContact CG-OG 3.37Å; E403-S412 WeakPolarHBondContact OE1-CB 3.46Å; E403-S412 PolarHBondContact OE1-OG 2.91Å; E403-L413 CarbonylContact C-O 3.55Å
404	V	73.8	Confident	72.1	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.03	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	113.6	-178.7	179.4	0	0	0	0	108.3	F396 L397 I398 S406 L413 L418	F396-V404 HydrophobicContact CB-CG1 3.84Å; F396-V404 HydrophobicContact CD1-CG1 3.92Å; F396-V404 HydrophobicContact CG-CG1 4.38Å; L397-V404 CarbonylContact O-C 3.55Å; L397-V404 VanDerWaalsContact O-CA 3.26Å; L397-V404 WeakPolarHBondContact O-CA 3.38Å; I398-V404 HydrophobicContact CD1-CB 4.25Å; I398-V404 HydrophobicContact CD1-CG2 3.35Å; V404-S406 PolarHBondContact O-N 2.84Å; V404-L413 WeakPolarHBondContact CA-O 3.33Å; V404-L413 HydrophobicContact CB-CB 3.94Å; V404-L413 WeakPolarHBondContact CB-O 3.19Å; V404-L413 HydrophobicContact CG2-CB 4.33Å; V404-L413 WeakPolarHBondContact CG2-O 3.05Å; V404-L413 PolarHBondContact N-O 3.23Å; V404-L418 HydrophobicContact CG2-CD1 3.51Å; V404-L418 HydrophobicContact CG2-CG 3.97Å
405	Q	68.9	Low	72	Confident	123 Å²	123	65.8 Å²	65.8	58%	0.575	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	99.3	165.9	-60.8	-176.8	4.3	0	0	107.8	L397	L397-Q405 HydrophobicContact CB-CB 4.39Å; L397-Q405 PolarHBondContact O-N 3.18Å
406	S	60.1	Low	71.8	Confident	28 Å²	28	70.6 Å²	70.6	20%	0.196	36%	0.359	C	S	.	.			trans	-88.9	149.2	164.6	-177	0	0	0	0	109.5	V404 V408	V404-S406 PolarHBondContact O-N 2.84Å; S406-V408 WeakPolarHBondContact CB-O 3.4Å; S406-V408 CarbonylContact O-C 3.56Å; S406-V408 PolarHBondContact O-N 3.11Å; S406-V408 PolarHBondContact OG-N 2.67Å
407	L	55.8	Low	71.5	Confident	124 Å²	124	74.1 Å²	74.1	65%	0.649	38%	0.375	S	S	*	.	S	Bend	trans	-57.6	-29.2	168.8	-78.3	170.1	0	0	0	111.6	F382 P392 R409	F382-L407 HydrophobicContact CD2-CD1 4.47Å; F382-L407 HydrophobicContact CE2-CD1 3.45Å; F382-L407 VanDerWaalsContact CE2-CD1 3.45Å; F382-L407 HydrophobicContact CE2-CG 4.3Å; F382-L407 HydrophobicContact CZ-CD1 3.54Å; P392-L407 HydrophobicContact CB-CD1 4.04Å; L407-R409 PolarHBondContact O-N 3.28Å
408	V	54.1	Low	71.5	Confident	81 Å²	81	73 Å²	73	49%	0.491	37%	0.37	S	S	.	.	S	Bend	trans	-77.4	109.9	169	-163.3	0	0	0	0	106.3	S406 L410	S406-V408 WeakPolarHBondContact CB-O 3.4Å; S406-V408 CarbonylContact O-C 3.56Å; S406-V408 PolarHBondContact O-N 3.11Å; S406-V408 PolarHBondContact OG-N 2.67Å; V408-L410 HydrophobicContact CG1-CD1 4.41Å; V408-L410 HydrophobicContact CG1-CG 4.19Å; V408-L410 PolarHBondContact O-N 3.25Å
409	R	51.5	Low	71.7	Confident	247 Å²	247	73.2 Å²	73.2	93%	0.932	37%	0.371	S	S	*	.			trans	-65.5	61.3	-179.3	-63.6	-176.3	-157.6	150.1	5.5	112.7	L407	L407-R409 PolarHBondContact O-N 3.28Å
410	L	51.6	Low	72.1	Confident	112 Å²	112	78.2 Å²	78.2	59%	0.586	40%	0.397	S	S	*	.			trans	-84.1	132.8	162.5	-61.6	172.4	0	0	0	106	V408 S412 L413	V408-L410 HydrophobicContact CG1-CD1 4.41Å; V408-L410 HydrophobicContact CG1-CG 4.19Å; V408-L410 PolarHBondContact O-N 3.25Å; L410-S412 PolarHBondContact O-N 2.82Å; L410-L413 HydrophobicContact CB-CD1 4.37Å
411	S	54.3	Low	72.9	Confident	106 Å²	106	77 Å²	77	74%	0.741	39%	0.385	S	S	*	.	S	Bend	trans	-40.9	138.3	174.5	44.3	0	0	0	0	111.9	L413	S411-L413 PolarHBondContact O-N 3.17Å
412	S	57.9	Low	73.8	Confident	54 Å²	54	67.1 Å²	67.1	38%	0.378	35%	0.348	S	S	.	.			trans	-9.9	94.1	171.8	177	0	0	0	0	114.6	E403 L410	E403-S412 WeakPolarHBondContact CB-OG 3Å; E403-S412 WeakPolarHBondContact CG-OG 3.37Å; E403-S412 WeakPolarHBondContact OE1-CB 3.46Å; E403-S412 PolarHBondContact OE1-OG 2.91Å; L410-S412 PolarHBondContact O-N 2.82Å
413	L	72.9	Confident	74.8	Confident	35 Å²	35	70.3 Å²	70.3	18%	0.183	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.1	176.1	-75.1	171.1	0	0	0	107.7	E403 V404 L410 S411 H417	E403-L413 CarbonylContact C-O 3.55Å; V404-L413 WeakPolarHBondContact CA-O 3.33Å; V404-L413 HydrophobicContact CB-CB 3.94Å; V404-L413 WeakPolarHBondContact CB-O 3.19Å; V404-L413 HydrophobicContact CG2-CB 4.33Å; V404-L413 WeakPolarHBondContact CG2-O 3.05Å; V404-L413 PolarHBondContact N-O 3.23Å; L410-L413 HydrophobicContact CB-CD1 4.37Å; S411-L413 PolarHBondContact O-N 3.17Å; L413-H417 HydrophobicContact CD2-CB 3.89Å
414	S	83.7	Confident	75.4	Confident	26 Å²	26	75.1 Å²	75.1	18%	0.182	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	173.7	175.6	66.5	0	0	0	0	111.2	G402 Q416 H417 L418	G402-S414 WeakPolarHBondContact O-CA 3.47Å; S414-Q416 PolarHBondContact O-N 2.69Å; S414-Q416 PolarHBondContact OG-N 3.12Å; S414-H417 PolarHBondContact N-ND1 3.06Å; S414-H417 PolarHBondContact O-N 2.91Å; S414-H417 VanDerWaalsContact O-N 3.12Å; S414-H417 PolarHBondContact OG-N 3.05Å; S414-L418 PolarHBondContact O-N 3.38Å
415	Y	89.3	Confident	76.2	Confident	1 Å²	1	76.4 Å²	76.4	0%	0.004	39%	0.392	C	S	.	.	H	α-helix	trans	-53.9	-32.4	167.2	-87.8	-70.8	0	0	0	112.9	T259 Q279 S280 V282 F285 F286 V375 I398 L418 T419	T259-Y415 WeakPolarHBondContact CG2-OH 3.48Å; T259-Y415 PolarHBondContact O-OH 2.75Å; Q279-Y415 HydrophobicContact CB-CD2 3.72Å; Q279-Y415 HydrophobicContact CB-CE2 3.62Å; Q279-Y415 HydrophobicContact CG-CD2 4.41Å; Q279-Y415 HydrophobicContact CG-CE2 3.96Å; S280-Y415 WeakPolarHBondContact O-CB 3.36Å; V282-Y415 HydrophobicContact CB-CD1 4.44Å; V282-Y415 HydrophobicContact CB-CD2 4.31Å; V282-Y415 HydrophobicContact CB-CE1 4.39Å; V282-Y415 HydrophobicContact CB-CE2 4.22Å; V282-Y415 HydrophobicContact CB-CG 4.4Å; V282-Y415 HydrophobicContact CG2-CD1 4.36Å; V282-Y415 HydrophobicContact CG2-CE1 3.85Å; V282-Y415 HydrophobicContact CG2-CE2 4.07Å; F285-Y415 HydrophobicContact CB-CD1 3.96Å; F285-Y415 AromaticContact CD1-CD1 3.75Å; F285-Y415 HydrophobicContact CD1-CD1 3.75Å; F285-Y415 AromaticContact CD1-CE1 3.74Å; F285-Y415 HydrophobicContact CD1-CE1 3.74Å; F285-Y415 HydrophobicContact CE1-CD1 4.49Å; F285-Y415 HydrophobicContact CE1-CE1 4.24Å; F285-Y415 AromaticContact CG-CD1 3.91Å; F285-Y415 HydrophobicContact CG-CD1 3.91Å; F285-Y415 HydrophobicContact CG-CE1 4.37Å; F286-Y415 HydrophobicContact CE2-CE1 4.39Å; V375-Y415 HydrophobicContact CG1-CE1 4.28Å; V375-Y415 WeakPolarHBondContact CG1-OH 3.35Å; I398-Y415 HydrophobicContact CB-CE2 4.46Å; I398-Y415 HydrophobicContact CD1-CD2 4.42Å; I398-Y415 HydrophobicContact CD1-CE1 4.4Å; I398-Y415 HydrophobicContact CD1-CE2 3.96Å; I398-Y415 HydrophobicContact CG1-CE2 3.83Å; I398-Y415 HydrophobicContact CG2-CD2 4.46Å; I398-Y415 HydrophobicContact CG2-CE2 3.88Å; Y415-L418 PolarHBondContact O-N 3.23Å; Y415-T419 WeakPolarHBondContact O-CB 2.97Å; Y415-T419 PolarHBondContact O-N 3.42Å; Y415-T419 PolarHBondContact O-OG1 2.87Å
416	Q	88.1	Confident	77.3	Confident	103 Å²	103	70.5 Å²	70.5	48%	0.481	36%	0.364	S	S	.	.	H	α-helix	trans	-66.4	-46.9	176.3	-64.9	173.7	-21.4	0	0	110.6	S280 S414 L418 T419 D420	S280-Q416 PolarHBondContact OG-NE2 3.28Å; S414-Q416 PolarHBondContact O-N 2.69Å; S414-Q416 PolarHBondContact OG-N 3.12Å; Q416-L418 VanDerWaalsContact C-N 3.3Å; Q416-L418 PolarHBondContact O-N 3.35Å; Q416-T419 WeakPolarHBondContact O-CA 3.48Å; Q416-T419 VanDerWaalsContact O-CB 3.27Å; Q416-T419 WeakPolarHBondContact O-CB 3.47Å; Q416-T419 PolarHBondContact O-N 2.99Å; Q416-D420 PolarHBondContact O-N 2.95Å
417	H	87.5	Confident	78.9	Confident	86 Å²	86	70.2 Å²	70.2	40%	0.398	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-36.4	175	-60	150	0	0	0	112.6	L413 S414 T419 D420 L421	L413-H417 HydrophobicContact CD2-CB 3.89Å; S414-H417 PolarHBondContact N-ND1 3.06Å; S414-H417 PolarHBondContact O-N 2.91Å; S414-H417 VanDerWaalsContact O-N 3.12Å; S414-H417 PolarHBondContact OG-N 3.05Å; H417-T419 VanDerWaalsContact C-N 3.29Å; H417-D420 PolarHBondContact O-N 3.32Å; H417-L421 PolarHBondContact O-N 3.41Å
418	L	89.5	Confident	80.6	Confident	2 Å²	2	67 Å²	67	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-33.7	172.8	-71.4	-178.3	0	0	0	112.4	F285 F396 V404 S414 Y415 Q416 L421 V422 I425	F285-L418 HydrophobicContact CD2-CB 3.76Å; F285-L418 HydrophobicContact CE2-CB 3.72Å; F285-L418 HydrophobicContact CE2-CD1 4.28Å; F285-L418 HydrophobicContact CZ-CD1 4.34Å; F396-L418 HydrophobicContact CB-CD1 4.5Å; F396-L418 HydrophobicContact CD1-CD1 4.44Å; F396-L418 HydrophobicContact CD1-CD2 4.06Å; F396-L418 HydrophobicContact CE1-CD2 4.01Å; F396-L418 HydrophobicContact CG-CD1 4.38Å; V404-L418 HydrophobicContact CG2-CD1 3.51Å; V404-L418 HydrophobicContact CG2-CG 3.97Å; S414-L418 PolarHBondContact O-N 3.38Å; Y415-L418 PolarHBondContact O-N 3.23Å; Q416-L418 VanDerWaalsContact C-N 3.3Å; Q416-L418 PolarHBondContact O-N 3.35Å; L418-L421 CarbonylContact O-C 3.59Å; L418-L421 PolarHBondContact O-N 3.32Å; L418-V422 WeakPolarHBondContact O-CA 3.4Å; L418-V422 PolarHBondContact O-N 3.21Å; L418-I425 HydrophobicContact CD2-CD1 3.85Å
419	T	91.6	Very high	82.4	Confident	6 Å²	6	64.3 Å²	64.3	4%	0.037	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-42.3	176.2	-56.4	0	0	0	0	110.7	E284 F285 R288 Y415 Q416 H417 L421 V422	E284-T419 HydrophobicContact CB-CG2 4.43Å; E284-T419 HydrophobicContact CG-CG2 3.76Å; F285-T419 WeakPolarHBondContact CA-OG1 3.3Å; F285-T419 WeakPolarHBondContact CB-OG1 3.37Å; R288-T419 HydrophobicContact CG-CG2 4.28Å; Y415-T419 WeakPolarHBondContact O-CB 2.97Å; Y415-T419 PolarHBondContact O-N 3.42Å; Y415-T419 PolarHBondContact O-OG1 2.87Å; Q416-T419 WeakPolarHBondContact O-CA 3.48Å; Q416-T419 VanDerWaalsContact O-CB 3.27Å; Q416-T419 WeakPolarHBondContact O-CB 3.47Å; Q416-T419 PolarHBondContact O-N 2.99Å; H417-T419 VanDerWaalsContact C-N 3.29Å; T419-L421 PolarHBondContact O-N 3.26Å; T419-V422 VanDerWaalsContact O-CB 3.31Å; T419-V422 WeakPolarHBondContact O-CB 3.31Å; T419-V422 WeakPolarHBondContact O-CG1 3.25Å; T419-V422 PolarHBondContact O-N 3.33Å
420	D	91.4	Very high	84.2	Confident	123 Å²	123	54.7 Å²	54.7	66%	0.658	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-31.4	177.1	-62.6	-29.8	0	0	0	112.5	Q416 H417	Q416-D420 PolarHBondContact O-N 2.95Å; H417-D420 PolarHBondContact O-N 3.32Å
421	L	90.2	Very high	85.7	Confident	80 Å²	80	52.7 Å²	52.7	42%	0.419	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	8.2	179.9	-62.3	176.5	0	0	0	113.4	H417 L418 T419 D423 H424 I425	H417-L421 PolarHBondContact O-N 3.41Å; L418-L421 CarbonylContact O-C 3.59Å; L418-L421 PolarHBondContact O-N 3.32Å; T419-L421 PolarHBondContact O-N 3.26Å; L421-D423 VanDerWaalsContact C-N 3.3Å; L421-D423 PolarHBondContact O-N 3.01Å; L421-H424 PolarHBondContact O-N 2.92Å; L421-I425 HydrophobicContact CB-CD1 3.85Å; L421-I425 HydrophobicContact CB-CG1 4.27Å; L421-I425 WeakPolarHBondContact O-CG1 3.33Å; L421-I425 PolarHBondContact O-N 3.45Å
422	V	92.7	Very high	86.6	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-40.5	-168.1	69.4	0	0	0	0	112.2	F285 R288 V289 L418 T419 H424 I425 F426	F285-V422 HydrophobicContact CE2-CG2 4.45Å; R288-V422 HydrophobicContact CB-CB 4.26Å; R288-V422 HydrophobicContact CB-CG1 3.71Å; R288-V422 HydrophobicContact CB-CG2 3.82Å; R288-V422 HydrophobicContact CG-CG1 4.16Å; V289-V422 HydrophobicContact CG2-CG2 3.83Å; L418-V422 WeakPolarHBondContact O-CA 3.4Å; L418-V422 PolarHBondContact O-N 3.21Å; T419-V422 VanDerWaalsContact O-CB 3.31Å; T419-V422 WeakPolarHBondContact O-CB 3.31Å; T419-V422 WeakPolarHBondContact O-CG1 3.25Å; T419-V422 PolarHBondContact O-N 3.33Å; V422-H424 VanDerWaalsContact C-N 3.27Å; V422-H424 PolarHBondContact O-N 2.96Å; V422-I425 PolarHBondContact O-N 3.48Å; V422-F426 HydrophobicContact CG2-CB 4.47Å; V422-F426 HydrophobicContact CG2-CD2 4.07Å; V422-F426 CarbonylContact O-C 3.59Å; V422-F426 WeakPolarHBondContact O-CA 3.33Å; V422-F426 WeakPolarHBondContact O-CB 3.49Å; V422-F426 PolarHBondContact O-N 3.2Å
423	D	91.3	Very high	87.3	Confident	74 Å²	74	51.6 Å²	51.6	40%	0.396	29%	0.287	S	S	.	.	H	α-helix	trans	-71.8	-22.2	-178.7	-58.7	-33.5	0	0	0	112.7	N292 L421 P427	N292-D423 PolarHBondContact ND2-OD1 2.93Å; L421-D423 VanDerWaalsContact C-N 3.3Å; L421-D423 PolarHBondContact O-N 3.01Å; D423-P427 WeakPolarHBondContact O-CA 3.42Å
424	H	87.4	Confident	87.3	Confident	160 Å²	160	56.2 Å²	56.2	74%	0.741	32%	0.32	S	S	*	.	H	α-helix	trans	-82.8	-36.8	173.2	-67.3	-51.7	0	0	0	112	L421 V422	L421-H424 PolarHBondContact O-N 2.92Å; V422-H424 VanDerWaalsContact C-N 3.27Å; V422-H424 PolarHBondContact O-N 2.96Å
425	I	89.5	Confident	86.9	Confident	32 Å²	32	61.1 Å²	61.1	16%	0.164	34%	0.344	C	S	.	.	H	α-helix	trans	-79.3	-40.7	-178.9	-60.5	170	0	0	0	110.4	Y372 R394 F396 L418 L421 V422	Y372-I425 WeakPolarHBondContact CE1-O 3.48Å; Y372-I425 PolarHBondContact OH-O 3Å; Y372-I425 VanDerWaalsContact OH-O 3.14Å; R394-I425 PolarHBondContact NH1-O 3.47Å; F396-I425 HydrophobicContact CE2-CG2 4.24Å; F396-I425 HydrophobicContact CZ-CG2 3.7Å; L418-I425 HydrophobicContact CD2-CD1 3.85Å; L421-I425 HydrophobicContact CB-CD1 3.85Å; L421-I425 HydrophobicContact CB-CG1 4.27Å; L421-I425 WeakPolarHBondContact O-CG1 3.33Å; L421-I425 PolarHBondContact O-N 3.45Å; V422-I425 PolarHBondContact O-N 3.48Å
426	F	92.9	Very high	86.7	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-124.2	70.8	-178.3	-60.4	-87	0	0	0	109.1	V252 F285 V289 N292 Y294 Y372 A373 F396 V422	V252-F426 HydrophobicContact CG1-CE1 4.4Å; V252-F426 HydrophobicContact CG2-CD1 4.18Å; V252-F426 HydrophobicContact CG2-CE1 3.57Å; V252-F426 HydrophobicContact CG2-CZ 4.43Å; F285-F426 AromaticContact CE2-CE2 3.95Å; F285-F426 HydrophobicContact CE2-CE2 3.95Å; F285-F426 AromaticContact CZ-CE2 3.74Å; F285-F426 HydrophobicContact CZ-CE2 3.74Å; F285-F426 HydrophobicContact CZ-CZ 4.22Å; V289-F426 HydrophobicContact CG1-CD1 4.17Å; V289-F426 HydrophobicContact CG1-CE1 4.32Å; V289-F426 HydrophobicContact CG1-CG 4.49Å; V289-F426 HydrophobicContact CG2-CD1 4.38Å; V289-F426 HydrophobicContact CG2-CD2 3.77Å; V289-F426 HydrophobicContact CG2-CE1 4.49Å; V289-F426 HydrophobicContact CG2-CE2 3.9Å; V289-F426 HydrophobicContact CG2-CG 4.02Å; V289-F426 HydrophobicContact CG2-CZ 4.27Å; N292-F426 WeakPolarHBondContact CB-O 3.44Å; N292-F426 PolarHBondContact ND2-O 3.37Å; Y294-F426 HydrophobicContact CD1-CD1 4.17Å; Y294-F426 HydrophobicContact CD2-CB 4Å; Y294-F426 HydrophobicContact CD2-CD1 4.23Å; Y294-F426 HydrophobicContact CE1-CD1 4.19Å; Y294-F426 HydrophobicContact CE2-CB 3.62Å; Y294-F426 HydrophobicContact CE2-CD1 4.27Å; Y294-F426 HydrophobicContact CE2-CG 4.47Å; Y294-F426 HydrophobicContact CG-CD1 4.21Å; Y372-F426 AromaticContact CD1-CD1 3.64Å; Y372-F426 HydrophobicContact CD1-CD1 3.64Å; Y372-F426 AromaticContact CD1-CE1 3.67Å; Y372-F426 HydrophobicContact CD1-CE1 3.67Å; Y372-F426 AromaticContact CE1-CD1 3.56Å; Y372-F426 HydrophobicContact CE1-CD1 3.56Å; Y372-F426 AromaticContact CE1-CE1 3.93Å; Y372-F426 HydrophobicContact CE1-CE1 3.93Å; Y372-F426 HydrophobicContact CE1-CG 4.32Å; A373-F426 HydrophobicContact CB-CE1 3.55Å; A373-F426 HydrophobicContact CB-CZ 3.64Å; F396-F426 HydrophobicContact CE2-CE2 4.41Å; F396-F426 HydrophobicContact CE2-CZ 4.18Å; V422-F426 HydrophobicContact CG2-CB 4.47Å; V422-F426 HydrophobicContact CG2-CD2 4.07Å; V422-F426 CarbonylContact O-C 3.59Å; V422-F426 WeakPolarHBondContact O-CA 3.33Å; V422-F426 WeakPolarHBondContact O-CB 3.49Å; V422-F426 PolarHBondContact O-N 3.2Å
427	P	92.7	Very high	86.5	Confident	22 Å²	22	62.6 Å²	62.6	14%	0.143	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-55.3	140.5	178.5	24.4	-34.9	0	0	0	111.1	Y294 Y372 D423 L429 P440 P445	Y294-P427 VanDerWaalsContact CE2-O 3.24Å; Y294-P427 WeakPolarHBondContact CE2-O 3.44Å; Y294-P427 WeakPolarHBondContact OH-CD 3.34Å; Y294-P427 PolarHBondContact OH-O 3.41Å; Y372-P427 WeakPolarHBondContact OH-CD 3.33Å; D423-P427 WeakPolarHBondContact O-CA 3.42Å; P427-L429 PolarHBondContact O-N 2.97Å; P427-P440 HydrophobicContact CG-CB 4.45Å; P427-P445 HydrophobicContact CG-CG 4.49Å
428	P	92.7	Very high	86.4	Confident	57 Å²	57	59.1 Å²	59.1	37%	0.37	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-49.1	131	176.6	-28.1	33.9	0	0	0	112.1
429	L	92.3	Very high	86	Confident	24 Å²	24	60 Å²	60	13%	0.126	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.7	176.3	-57.7	179	0	0	0	109.4	K250 N292 Y294 P427 L438 G439 P440	K250-L429 HydrophobicContact CB-CD1 4Å; K250-L429 HydrophobicContact CG-CD1 3.87Å; N292-L429 PolarHBondContact O-N 2.63Å; Y294-L429 HydrophobicContact CD1-CD1 3.94Å; Y294-L429 HydrophobicContact CD2-CD1 4.11Å; Y294-L429 HydrophobicContact CD2-CG 4.33Å; Y294-L429 HydrophobicContact CE1-CD1 3.76Å; Y294-L429 HydrophobicContact CE1-CD2 4.44Å; Y294-L429 HydrophobicContact CE1-CG 4.26Å; Y294-L429 HydrophobicContact CE2-CD1 3.93Å; Y294-L429 HydrophobicContact CE2-CD2 4.38Å; Y294-L429 HydrophobicContact CE2-CG 3.77Å; Y294-L429 HydrophobicContact CG-CD1 4.1Å; P427-L429 PolarHBondContact O-N 2.97Å; L429-L438 HydrophobicContact CB-CD1 3.71Å; L429-L438 HydrophobicContact CB-CD2 4.38Å; L429-L438 HydrophobicContact CB-CG 3.91Å; L429-L438 HydrophobicContact CD1-CD2 3.77Å; L429-L438 HydrophobicContact CD1-CG 4.02Å; L429-G439 WeakPolarHBondContact CA-O 3.36Å; L429-P440 HydrophobicContact CD2-CB 4.27Å
430	S	88	Confident	85.2	Confident	45 Å²	45	62.3 Å²	62.3	32%	0.315	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	154.4	172	-166.6	0	0	0	0	110.1	G439 D441	S430-G439 PolarHBondContact N-O 3.35Å; S430-G439 PolarHBondContact O-N 3.29Å; S430-G439 VanDerWaalsContact O-N 3.11Å; S430-D441 WeakPolarHBondContact CB-OD1 3.38Å
431	R	83.5	Confident	84.1	Confident	70 Å²	70	62 Å²	62	26%	0.264	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	100.5	172.5	-58.7	-179.3	168.1	-80.1	0.4	106.9	D248 D249 N436 L438	D248-R431 VanDerWaalsContact CG-NH1 3.27Å; D248-R431 IonicContact OD1-CZ 4Å; D248-R431 IonicContact OD1-NH1 3.15Å; D248-R431 PolarHBondContact OD1-NH1 3.12Å; D248-R431 VanDerWaalsContact OD1-NH1 3.11Å; D248-R431 IonicContact OD1-NH2 3.93Å; D248-R431 PolarHBondContact OD1-NH2 3.03Å; D248-R431 IonicContact OD2-CZ 2.78Å; D248-R431 IonicContact OD2-NH1 2.92Å; D248-R431 PolarHBondContact OD2-NH1 2.73Å; D248-R431 IonicContact OD2-NH2 2.93Å; D249-R431 IonicContact OD1-NH2 3.86Å; D249-R431 PolarHBondContact OD1-NH2 2.96Å; R431-N436 WeakPolarHBondContact CB-OD1 3.42Å; R431-N436 PolarHBondContact NH1-O 3.45Å; R431-L438 HydrophobicContact CG-CB 4.24Å; R431-L438 HydrophobicContact CG-CD1 3.57Å
432	S	74.2	Confident	82.9	Confident	82 Å²	82	64.9 Å²	64.9	57%	0.573	37%	0.374	S	S	*	.			trans	-130.4	149.8	-175.3	-67.4	0	0	0	0	110.3
433	G	71.2	Confident	81.5	Confident	55 Å²	55	72.1 Å²	72.1	57%	0.567	41%	0.405	S	S	*	.	S	Bend	trans	95.6	177.3	178.8	0	0	0	0	0	114.9	D435 N436	G433-D435 VanDerWaalsContact C-N 3.33Å; G433-D435 PolarHBondContact O-N 3.36Å; G433-N436 PolarHBondContact O-N 3.33Å
434	P	73.2	Confident	80.4	Confident	132 Å²	132	72 Å²	72	86%	0.857	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.2	-170.9	24.5	-33.1	0	0	0	113.2
435	D	76.4	Confident	79.3	Confident	129 Å²	129	66.4 Å²	66.4	69%	0.69	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-3.9	-176.3	-59.3	-24.4	0	0	0	113.2	G433 V437	G433-D435 VanDerWaalsContact C-N 3.33Å; G433-D435 PolarHBondContact O-N 3.36Å; D435-V437 HydrophobicContact CB-CG2 3.74Å; D435-V437 PolarHBondContact O-N 3.05Å; D435-V437 VanDerWaalsContact O-N 3.17Å
436	N	83.6	Confident	78.1	Confident	82 Å²	82	67.5 Å²	67.5	44%	0.439	39%	0.394	S	S	.	.			trans	51.6	39.8	178.5	-163.4	24.9	0	0	0	113.3	R246 R431 G433	R246-N436 PolarHBondContact NH1-O 3.49Å; R246-N436 PolarHBondContact NH2-O 3.47Å; R246-N436 VanDerWaalsContact NH2-O 3.12Å; R431-N436 WeakPolarHBondContact CB-OD1 3.42Å; R431-N436 PolarHBondContact NH1-O 3.45Å; G433-N436 PolarHBondContact O-N 3.33Å
437	V	85.5	Confident	76.9	Confident	53 Å²	53	75.3 Å²	75.3	32%	0.321	42%	0.424	S	S	.	.			trans	-86.8	138.2	-178.4	178.7	0	0	0	0	109.8	W247 D248 D435 G439	W247-V437 HydrophobicContact CH2-CG1 4.19Å; W247-V437 HydrophobicContact CH2-CG2 4.36Å; W247-V437 HydrophobicContact CZ2-CG1 4.46Å; W247-V437 HydrophobicContact CZ2-CG2 4.07Å; D248-V437 HydrophobicContact CB-CG1 4.09Å; D248-V437 VanDerWaalsContact OD2-CA 3.31Å; D248-V437 WeakPolarHBondContact OD2-CA 3.44Å; D435-V437 HydrophobicContact CB-CG2 3.74Å; D435-V437 PolarHBondContact O-N 3.05Å; D435-V437 VanDerWaalsContact O-N 3.17Å; V437-G439 PolarHBondContact O-N 3.11Å
438	L	85.4	Confident	75.7	Confident	12 Å²	12	78.3 Å²	78.3	6%	0.063	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	116.6	177	-167.5	69.7	0	0	0	110.5	D248 L429 R431	D248-L438 HydrophobicContact CB-CB 4.37Å; D248-L438 PolarHBondContact OD2-N 3.44Å; L429-L438 HydrophobicContact CB-CD1 3.71Å; L429-L438 HydrophobicContact CB-CD2 4.38Å; L429-L438 HydrophobicContact CB-CG 3.91Å; L429-L438 HydrophobicContact CD1-CD2 3.77Å; L429-L438 HydrophobicContact CD1-CG 4.02Å; R431-L438 HydrophobicContact CG-CB 4.24Å; R431-L438 HydrophobicContact CG-CD1 3.57Å
439	G	80.8	Confident	74.5	Confident	22 Å²	22	77.5 Å²	77.5	23%	0.227	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.5	177.7	0	0	0	0	0	111.7	L429 S430 V437	L429-G439 WeakPolarHBondContact CA-O 3.36Å; S430-G439 PolarHBondContact N-O 3.35Å; S430-G439 PolarHBondContact O-N 3.29Å; S430-G439 VanDerWaalsContact O-N 3.11Å; V437-G439 PolarHBondContact O-N 3.11Å
440	P	73.3	Confident	73.1	Confident	54 Å²	54	81.3 Å²	81.3	35%	0.351	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	144	167.7	28.2	-32.8	0	0	0	109.5	P427 L429 F442 P445	P427-P440 HydrophobicContact CG-CB 4.45Å; L429-P440 HydrophobicContact CD2-CB 4.27Å; P440-F442 WeakPolarHBondContact CG-O 3.33Å; P440-F442 PolarHBondContact O-N 2.85Å; P440-F442 VanDerWaalsContact O-N 3.12Å; P440-P445 HydrophobicContact CB-CG 4.35Å; P440-P445 HydrophobicContact CG-CG 4.25Å
441	D	68.4	Low	72.3	Confident	117 Å²	117	86 Å²	86	63%	0.626	47%	0.474	S	S	*	.	S	Bend	trans	-58.7	-24.1	172.4	-74.5	-25.5	0	0	0	112.2	S430	S430-D441 WeakPolarHBondContact CB-OD1 3.38Å
442	F	66.8	Low	71.5	Confident	139 Å²	139	85.7 Å²	85.7	61%	0.61	48%	0.482	S	S	*	.	S	Bend	trans	-97.2	130.4	178.4	-142.8	-91.6	0	0	0	111.4	P440 E444 P445	P440-F442 WeakPolarHBondContact CG-O 3.33Å; P440-F442 PolarHBondContact O-N 2.85Å; P440-F442 VanDerWaalsContact O-N 3.12Å; F442-E444 PolarHBondContact O-N 2.91Å; F442-P445 WeakPolarHBondContact O-CD 3.35Å
443	F	63.5	Low	71.5	Confident	153 Å²	153	88.1 Å²	88.1	67%	0.671	48%	0.479	S	S	*	.	S	Bend	trans	-64.3	121.2	177.7	-173	-98.9	0	0	0	111.3	F448	F443-F448 HydrophobicContact CD1-CD2 4.09Å; F443-F448 AromaticContact CD1-CE2 3.77Å; F443-F448 HydrophobicContact CD1-CE2 3.77Å; F443-F448 AromaticContact CE1-CE2 3.83Å; F443-F448 HydrophobicContact CE1-CE2 3.83Å
444	E	67	Low	71.7	Confident	73 Å²	73	94.5 Å²	94.5	34%	0.341	49%	0.487	S	S	.	.	S	Bend	trans	40.2	63.8	176.5	-61.7	-171.7	145.6	0	0	115.1	F442 A446 R447 F448	F442-E444 PolarHBondContact O-N 2.91Å; E444-A446 PolarHBondContact O-N 3.34Å; E444-R447 HydrophobicContact CB-CB 4.12Å; E444-R447 PolarHBondContact O-N 2.72Å; E444-R447 IonicContact OE1-CZ 3.94Å; E444-R447 IonicContact OE1-NH1 3.27Å; E444-R447 PolarHBondContact OE1-NH1 3.27Å; E444-R447 WeakPolarHBondContact OE2-CD 3.19Å; E444-R447 IonicContact OE2-CZ 2.73Å; E444-R447 IonicContact OE2-NE 2.77Å; E444-R447 IonicContact OE2-NH1 2.9Å; E444-R447 PolarHBondContact OE2-NH1 3.01Å; E444-F448 HydrophobicContact CB-CD2 3.87Å; E444-F448 HydrophobicContact CB-CE2 4Å; E444-F448 PolarHBondContact O-N 3.3Å; E444-F448 WeakPolarHBondContact OE2-CE2 3.45Å
445	P	64.6	Low	71.6	Confident	42 Å²	42	92.7 Å²	92.7	27%	0.273	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.7	-170.2	24.1	-33.4	0	0	0	113.4	P427 P440 F442 S449	P427-P445 HydrophobicContact CG-CG 4.49Å; P440-P445 HydrophobicContact CB-CG 4.35Å; P440-P445 HydrophobicContact CG-CG 4.25Å; F442-P445 WeakPolarHBondContact O-CD 3.35Å; P445-S449 WeakPolarHBondContact O-CB 3.24Å; P445-S449 PolarHBondContact O-N 3.09Å; P445-S449 VanDerWaalsContact O-N 3.12Å
446	A	65.1	Low	71.6	Confident	54 Å²	54	91.6 Å²	91.6	45%	0.446	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-32.3	175.6	0	0	0	0	0	113.3	E444 S452	E444-A446 PolarHBondContact O-N 3.34Å; A446-S452 WeakPolarHBondContact O-CB 3.41Å; A446-S452 PolarHBondContact O-OG 3.14Å
447	R	66.5	Low	71.2	Confident	165 Å²	165	99.1 Å²	99.1	62%	0.623	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-38.9	177.5	-83.2	175.2	159.9	176.5	-1.9	111.7	E444 S452	E444-R447 HydrophobicContact CB-CB 4.12Å; E444-R447 PolarHBondContact O-N 2.72Å; E444-R447 IonicContact OE1-CZ 3.94Å; E444-R447 IonicContact OE1-NH1 3.27Å; E444-R447 PolarHBondContact OE1-NH1 3.27Å; E444-R447 WeakPolarHBondContact OE2-CD 3.19Å; E444-R447 IonicContact OE2-CZ 2.73Å; E444-R447 IonicContact OE2-NE 2.77Å; E444-R447 IonicContact OE2-NH1 2.9Å; E444-R447 PolarHBondContact OE2-NH1 3.01Å; R447-S452 VanDerWaalsContact O-CB 3.25Å; R447-S452 WeakPolarHBondContact O-CB 3.34Å
448	F	68.3	Low	70.8	Confident	85 Å²	85	102.5 Å²	102.5	37%	0.373	50%	0.503	S	S	.	.	S	Bend	trans	-104.7	24.6	-174.6	-59	-74.2	0	0	0	114.5	F443 E444 Y453	F443-F448 HydrophobicContact CD1-CD2 4.09Å; F443-F448 AromaticContact CD1-CE2 3.77Å; F443-F448 HydrophobicContact CD1-CE2 3.77Å; F443-F448 AromaticContact CE1-CE2 3.83Å; F443-F448 HydrophobicContact CE1-CE2 3.83Å; E444-F448 HydrophobicContact CB-CD2 3.87Å; E444-F448 HydrophobicContact CB-CE2 4Å; E444-F448 PolarHBondContact O-N 3.3Å; E444-F448 WeakPolarHBondContact OE2-CE2 3.45Å; F448-Y453 AromaticContact CD1-CD2 3.45Å; F448-Y453 HydrophobicContact CD1-CD2 3.45Å; F448-Y453 VanDerWaalsContact CD1-CD2 3.45Å; F448-Y453 AromaticContact CD1-CE2 3.82Å; F448-Y453 HydrophobicContact CD1-CE2 3.82Å; F448-Y453 HydrophobicContact CD1-CG 4.16Å; F448-Y453 AromaticContact CE1-CD2 3.87Å; F448-Y453 HydrophobicContact CE1-CD2 3.87Å; F448-Y453 AromaticContact CE1-CE2 3.89Å; F448-Y453 HydrophobicContact CE1-CE2 3.89Å
449	S	66.5	Low	70.6	Confident	40 Å²	40	106.9 Å²	106.9	28%	0.28	53%	0.532	S	S	.	.	S	Bend	trans	-67.1	158.8	175.2	82.1	0	0	0	0	111.8	P445 F451 S452 Y453	P445-S449 WeakPolarHBondContact O-CB 3.24Å; P445-S449 PolarHBondContact O-N 3.09Å; P445-S449 VanDerWaalsContact O-N 3.12Å; S449-F451 PolarHBondContact O-N 3.35Å; S449-F451 PolarHBondContact OG-N 3.27Å; S449-S452 PolarHBondContact O-N 2.85Å; S449-S452 VanDerWaalsContact O-N 3.1Å; S449-S452 WeakPolarHBondContact OG-CB 3.43Å; S449-S452 PolarHBondContact OG-N 3.44Å; S449-S452 PolarHBondContact OG-OG 2.88Å; S449-Y453 WeakPolarHBondContact O-CB 3.36Å; S449-Y453 PolarHBondContact O-N 3.42Å
450	S	64.1	Low	70.8	Confident	103 Å²	103	113.9 Å²	113.9	72%	0.72	56%	0.564	S	S	*	*	H	α-helix	trans	-51.7	-34	174.7	-61.5	0	0	0	0	112.7	W454	S450-W454 WeakPolarHBondContact O-CB 3.35Å
451	F	69.9	Low	71.3	Confident	145 Å²	145	116.8 Å²	116.8	64%	0.636	58%	0.575	S	S	*	*	H	α-helix	trans	-85.7	-38.3	178.2	-175.4	-97.7	0	0	0	113.2	S449 K455	S449-F451 PolarHBondContact O-N 3.35Å; S449-F451 PolarHBondContact OG-N 3.27Å; F451-K455 HydrophobicContact CE1-CD 4.36Å; F451-K455 HydrophobicContact CE2-CD 4.39Å; F451-K455 HydrophobicContact CZ-CD 4.09Å; F451-K455 WeakPolarHBondContact O-CB 3.25Å
452	S	67.4	Low	72.1	Confident	62 Å²	62	113.7 Å²	113.7	43%	0.434	56%	0.563	S	S	.	*	H	α-helix	trans	-75.8	-38.2	-175.9	-54	0	0	0	0	112.8	A446 R447 S449	A446-S452 WeakPolarHBondContact O-CB 3.41Å; A446-S452 PolarHBondContact O-OG 3.14Å; R447-S452 VanDerWaalsContact O-CB 3.25Å; R447-S452 WeakPolarHBondContact O-CB 3.34Å; S449-S452 PolarHBondContact O-N 2.85Å; S449-S452 VanDerWaalsContact O-N 3.1Å; S449-S452 WeakPolarHBondContact OG-CB 3.43Å; S449-S452 PolarHBondContact OG-N 3.44Å; S449-S452 PolarHBondContact OG-OG 2.88Å
453	Y	73.8	Confident	73	Confident	133 Å²	133	113.9 Å²	113.9	52%	0.522	57%	0.566	S	S	.	*	H	α-helix	trans	-91.7	-41.7	-173.2	-175	-102.3	0	0	0	113.3	F448 S449	F448-Y453 AromaticContact CD1-CD2 3.45Å; F448-Y453 HydrophobicContact CD1-CD2 3.45Å; F448-Y453 VanDerWaalsContact CD1-CD2 3.45Å; F448-Y453 AromaticContact CD1-CE2 3.82Å; F448-Y453 HydrophobicContact CD1-CE2 3.82Å; F448-Y453 HydrophobicContact CD1-CG 4.16Å; F448-Y453 AromaticContact CE1-CD2 3.87Å; F448-Y453 HydrophobicContact CE1-CD2 3.87Å; F448-Y453 AromaticContact CE1-CE2 3.89Å; F448-Y453 HydrophobicContact CE1-CE2 3.89Å; S449-Y453 WeakPolarHBondContact O-CB 3.36Å; S449-Y453 PolarHBondContact O-N 3.42Å
454	W	75.2	Confident	74.1	Confident	190 Å²	190	114.2 Å²	114.2	72%	0.72	57%	0.569	S	S	*	*	H	α-helix	trans	-89.2	-9.5	-177.1	-57.8	95.5	0	0	0	114	S450 P456	S450-W454 WeakPolarHBondContact O-CB 3.35Å; W454-P456 WeakPolarHBondContact O-CD 2.91Å
455	K	72.8	Confident	75	Confident	94 Å²	94	115.4 Å²	115.4	41%	0.409	58%	0.578	S	S	.	*	S	Bend	trans	-65.3	128.8	175.7	-174.3	-174.8	178.4	-174.3	0	108.5	F451 R457	F451-K455 HydrophobicContact CE1-CD 4.36Å; F451-K455 HydrophobicContact CE2-CD 4.39Å; F451-K455 HydrophobicContact CZ-CD 4.09Å; F451-K455 WeakPolarHBondContact O-CB 3.25Å; K455-R457 PolarHBondContact O-N 3.36Å
456	P	75.6	Confident	76	Confident	105 Å²	105	118.5 Å²	118.5	68%	0.682	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-52.4	138.4	168.6	-21.4	30.8	0	0	0	109	W454 L458	W454-P456 WeakPolarHBondContact O-CD 2.91Å; P456-L458 PolarHBondContact O-N 3.37Å
457	R	75.2	Confident	77	Confident	241 Å²	241	121.1 Å²	121.1	91%	0.909	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-51	131.8	170	-69.8	-169.6	179.5	-175.3	1	107.6	K455	K455-R457 PolarHBondContact O-N 3.36Å
458	L	77.7	Confident	78	Confident	124 Å²	124	115.9 Å²	115.9	65%	0.649	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-57.9	137.2	172.6	-70.6	174.7	0	0	0	107.1	P456 D460	P456-L458 PolarHBondContact O-N 3.37Å; L458-D460 PolarHBondContact O-N 2.86Å
459	P	81.2	Confident	78.6	Confident	104 Å²	104	119.3 Å²	119.3	68%	0.675	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-54.6	139.8	173.1	-20.4	30.7	0	0	0	109.3	I461	P459-I461 PolarHBondContact O-N 3.32Å; P459-I461 VanDerWaalsContact O-N 3.17Å
460	D	84.3	Confident	79.4	Confident	168 Å²	168	122.7 Å²	122.7	90%	0.898	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-61.9	119.7	168.3	-66.8	-35.7	0	0	0	107.3	L458	L458-D460 PolarHBondContact O-N 2.86Å
461	I	82.9	Confident	80.2	Confident	115 Å²	115	120.6 Å²	120.6	59%	0.59	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-82.4	129.7	177.9	-56.6	177.2	0	0	0	106.3	P459 D465 E466	P459-I461 PolarHBondContact O-N 3.32Å; P459-I461 VanDerWaalsContact O-N 3.17Å; I461-D465 HydrophobicContact CG2-CB 3.48Å; I461-D465 VanDerWaalsContact CG2-CB 3.48Å; I461-E466 HydrophobicContact CG2-CB 4.25Å
462	S	85.6	Confident	80.7	Confident	52 Å²	52	122.9 Å²	122.9	36%	0.364	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-66.1	150.4	174	73.7	0	0	0	0	109.8	E464 D465 E466	S462-E464 PolarHBondContact O-N 3.11Å; S462-E464 VanDerWaalsContact O-N 3.15Å; S462-D465 PolarHBondContact O-N 3.3Å; S462-D465 PolarHBondContact OG-N 2.84Å; S462-D465 PolarHBondContact OG-OD2 2.81Å; S462-E466 PolarHBondContact O-N 2.9Å
463	Q	86.3	Confident	80.8	Confident	144 Å²	144	123.1 Å²	123.1	67%	0.673	59%	0.593	S	S	*	*	H	α-helix	trans	-56.9	-32.6	178	-167.2	178.3	-14.9	0	0	111.7	E466 E467	Q463-E466 PolarHBondContact O-N 3.02Å; Q463-E467 PolarHBondContact NE2-OE1 3.04Å; Q463-E467 WeakPolarHBondContact O-CG 3.45Å; Q463-E467 PolarHBondContact O-N 3.12Å
464	E	86.3	Confident	80.2	Confident	159 Å²	159	122.8 Å²	122.8	74%	0.743	60%	0.6	S	S	*	*	H	α-helix	trans	-64.5	-42.7	174.7	-63.9	-179	178	0	0	112.6	S462 E466 A468	S462-E464 PolarHBondContact O-N 3.11Å; S462-E464 VanDerWaalsContact O-N 3.15Å; E464-E466 VanDerWaalsContact C-N 3.34Å; E464-A468 VanDerWaalsContact O-CB 3.27Å; E464-A468 WeakPolarHBondContact O-CB 3.27Å; E464-A468 PolarHBondContact O-N 3.3Å
465	D	87	Confident	79.2	Confident	98 Å²	98	122 Å²	122	52%	0.524	60%	0.602	S	S	.	*	H	α-helix	trans	-67.9	-35.6	177.6	-70.6	-48.2	0	0	0	111.8	I461 S462 Y469	I461-D465 HydrophobicContact CG2-CB 3.48Å; I461-D465 VanDerWaalsContact CG2-CB 3.48Å; S462-D465 PolarHBondContact O-N 3.3Å; S462-D465 PolarHBondContact OG-N 2.84Å; S462-D465 PolarHBondContact OG-OD2 2.81Å; D465-Y469 WeakPolarHBondContact O-CB 3.44Å; D465-Y469 PolarHBondContact O-N 3.17Å
466	E	83.8	Confident	78.3	Confident	107 Å²	107	122.8 Å²	122.8	50%	0.5	61%	0.614	S	S	.	*	H	α-helix	trans	-66	-48.1	176.5	-162.3	164.7	-152.2	0	0	110.6	I461 S462 Q463 E464 A468 Y469 E470	I461-E466 HydrophobicContact CG2-CB 4.25Å; S462-E466 PolarHBondContact O-N 2.9Å; Q463-E466 PolarHBondContact O-N 3.02Å; E464-E466 VanDerWaalsContact C-N 3.34Å; E466-A468 PolarHBondContact O-N 3.38Å; E466-Y469 PolarHBondContact O-N 3.46Å; E466-E470 WeakPolarHBondContact O-CG 3.09Å; E466-E470 PolarHBondContact O-N 3.19Å
467	E	87.4	Confident	76.8	Confident	110 Å²	110	126.1 Å²	126.1	51%	0.514	62%	0.617	S	S	.	*	H	α-helix	trans	-62.8	-39.4	174.9	-71.5	176.3	-167.5	0	0	112.5	Q463 Y469 S471	Q463-E467 PolarHBondContact NE2-OE1 3.04Å; Q463-E467 WeakPolarHBondContact O-CG 3.45Å; Q463-E467 PolarHBondContact O-N 3.12Å; E467-Y469 VanDerWaalsContact C-N 3.35Å; E467-S471 VanDerWaalsContact O-CB 3.27Å; E467-S471 WeakPolarHBondContact O-CB 3.31Å; E467-S471 PolarHBondContact O-N 2.99Å; E467-S471 PolarHBondContact O-OG 3.28Å
468	A	87	Confident	75	Confident	54 Å²	54	124 Å²	124	45%	0.446	61%	0.609	S	S	.	*	H	α-helix	trans	-64.7	-38.3	175.3	0	0	0	0	0	112.1	E464 E466 S471 R472	E464-A468 VanDerWaalsContact O-CB 3.27Å; E464-A468 WeakPolarHBondContact O-CB 3.27Å; E464-A468 PolarHBondContact O-N 3.3Å; E466-A468 PolarHBondContact O-N 3.38Å; A468-S471 WeakPolarHBondContact CA-OG 3.39Å; A468-S471 PolarHBondContact O-OG 3.17Å; A468-R472 WeakPolarHBondContact O-CB 3.19Å; A468-R472 PolarHBondContact O-N 3.29Å
469	Y	81.7	Confident	73.4	Confident	157 Å²	157	123.8 Å²	123.8	62%	0.616	62%	0.616	S	S	*	*	H	α-helix	trans	-70.5	-45.8	176.5	-177.1	-98.3	0	0	0	112.2	D465 E466 E467 R472 N473	D465-Y469 WeakPolarHBondContact O-CB 3.44Å; D465-Y469 PolarHBondContact O-N 3.17Å; E466-Y469 PolarHBondContact O-N 3.46Å; E467-Y469 VanDerWaalsContact C-N 3.35Å; Y469-R472 PolarHBondContact O-N 3.24Å; Y469-N473 WeakPolarHBondContact CE1-ND2 2.95Å; Y469-N473 WeakPolarHBondContact CE2-ND2 3Å; Y469-N473 PolarHBondContact O-N 3.02Å; Y469-N473 PolarHBondContact OH-ND2 3.02Å; Y469-N473 VanDerWaalsContact OH-ND2 3.13Å
470	E	83.3	Confident	71.8	Confident	111 Å²	111	124 Å²	124	52%	0.519	61%	0.611	S	S	.	*	H	α-helix	trans	-62	-45.7	178	-73.8	-166.6	161.4	0	0	111.7	E466 R472 N473 L474	E466-E470 WeakPolarHBondContact O-CG 3.09Å; E466-E470 PolarHBondContact O-N 3.19Å; E470-R472 VanDerWaalsContact C-N 3.26Å; E470-R472 PolarHBondContact O-N 3.22Å; E470-N473 PolarHBondContact O-N 3.43Å; E470-L474 WeakPolarHBondContact O-CB 3.39Å; E470-L474 WeakPolarHBondContact O-CG 3.49Å; E470-L474 PolarHBondContact O-N 2.79Å
471	S	80.5	Confident	69.9	Low	59 Å²	59	122.6 Å²	122.6	41%	0.413	61%	0.609	S	S	.	*	H	α-helix	trans	-62.6	-32	176.8	62.6	0	0	0	0	112.7	E467 A468 K475	E467-S471 VanDerWaalsContact O-CB 3.27Å; E467-S471 WeakPolarHBondContact O-CB 3.31Å; E467-S471 PolarHBondContact O-N 2.99Å; E467-S471 PolarHBondContact O-OG 3.28Å; A468-S471 WeakPolarHBondContact CA-OG 3.39Å; A468-S471 PolarHBondContact O-OG 3.17Å; S471-K475 VanDerWaalsContact O-CG 3.32Å; S471-K475 WeakPolarHBondContact O-CG 3.46Å
472	R	79.3	Confident	68	Low	193 Å²	193	126.4 Å²	126.4	73%	0.728	62%	0.621	S	S	*	*	H	α-helix	trans	-72.6	-39.2	175.1	-165.7	175.3	-172.6	172.1	2.2	112.4	A468 Y469 E470	A468-R472 WeakPolarHBondContact O-CB 3.19Å; A468-R472 PolarHBondContact O-N 3.29Å; Y469-R472 PolarHBondContact O-N 3.24Å; E470-R472 VanDerWaalsContact C-N 3.26Å; E470-R472 PolarHBondContact O-N 3.22Å
473	N	70.2	Confident	65.9	Low	68 Å²	68	128.7 Å²	128.7	36%	0.364	64%	0.643	S	S	.	*	H	α-helix	trans	-84	-28.5	-178.4	-83.3	-30.1	0	0	0	114.3	Y469 E470 K475 V476 K477	Y469-N473 WeakPolarHBondContact CE1-ND2 2.95Å; Y469-N473 WeakPolarHBondContact CE2-ND2 3Å; Y469-N473 PolarHBondContact O-N 3.02Å; Y469-N473 PolarHBondContact OH-ND2 3.02Å; Y469-N473 VanDerWaalsContact OH-ND2 3.13Å; E470-N473 PolarHBondContact O-N 3.43Å; N473-K475 PolarHBondContact O-N 2.93Å; N473-V476 PolarHBondContact O-N 3.12Å; N473-V476 VanDerWaalsContact O-N 3.13Å; N473-K477 PolarHBondContact O-N 2.89Å
474	L	61	Low	64.2	Low	126 Å²	126	134.4 Å²	134.4	66%	0.66	67%	0.67	S	S	*	*	H	α-helix	trans	-63	-33.1	169.7	-76.9	163.1	0	0	0	111.1	E470 V476 K477	E470-L474 WeakPolarHBondContact O-CB 3.39Å; E470-L474 WeakPolarHBondContact O-CG 3.49Å; E470-L474 PolarHBondContact O-N 2.79Å; L474-V476 VanDerWaalsContact C-N 3.26Å; L474-V476 PolarHBondContact O-N 2.74Å; L474-K477 PolarHBondContact O-N 3.1Å
475	K	53.9	Low	63	Low	174 Å²	174	133.2 Å²	133.2	76%	0.757	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-21.1	173.4	-74.3	174.9	-178.1	177.6	0	114.1	S471 N473	S471-K475 VanDerWaalsContact O-CG 3.32Å; S471-K475 WeakPolarHBondContact O-CG 3.46Å; N473-K475 PolarHBondContact O-N 2.93Å
476	V	54.2	Low	61.8	Low	109 Å²	109	135.1 Å²	135.1	66%	0.661	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-21	177.8	-179.7	0	0	0	0	111.7	N473 L474 R478	N473-V476 PolarHBondContact O-N 3.12Å; N473-V476 VanDerWaalsContact O-N 3.13Å; L474-V476 VanDerWaalsContact C-N 3.26Å; L474-V476 PolarHBondContact O-N 2.74Å; V476-R478 PolarHBondContact O-N 3.37Å
477	K	44.1	Very low	60.6	Low	176 Å²	176	136.6 Å²	136.6	77%	0.765	68%	0.683	S	S	*	*	S	Bend	trans	-92.3	50.9	177.3	-75.3	-170.1	177.7	178.2	0	113.4	N473 L474	N473-K477 PolarHBondContact O-N 2.89Å; L474-K477 PolarHBondContact O-N 3.1Å
478	R	38.6	Very low	59	Low	195 Å²	195	138.2 Å²	138.2	74%	0.736	69%	0.693	S	S	*	*			trans	-156	102.7	151.7	-72	-161.4	-172.9	-174	1.3	111.6	V476	V476-R478 PolarHBondContact O-N 3.37Å
479	P	43.9	Very low	57.2	Low	121 Å²	121	143.4 Å²	143.4	79%	0.786	71%	0.708	S	S	*	*			trans	-93.8	97.4	133	26.9	-13.5	0	0	0	106.3	T481	P479-T481 PolarHBondContact O-N 3.06Å
480	D	46.2	Very low	55.6	Low	109 Å²	109	142.5 Å²	142.5	58%	0.583	72%	0.715	S	S	*	*			trans	-54.4	123.6	162.6	-74.4	-42.3	0	0	0	107.8	K482	D480-K482 PolarHBondContact O-N 2.94Å
481	T	45.4	Very low	53.6	Low	137 Å²	137	144.8 Å²	144.8	84%	0.84	73%	0.729	S	S	*	*			trans	-51.3	101.6	162.5	41	0	0	0	0	108.4	P479 A483	P479-T481 PolarHBondContact O-N 3.06Å; T481-A483 PolarHBondContact O-N 3.39Å
482	K	42.9	Very low	51.6	Low	196 Å²	196	151.4 Å²	151.4	85%	0.852	75%	0.753	S	S	*	*			trans	-70.2	109.1	162	-82.4	-172.8	173.8	-175.6	0	107.6	D480	D480-K482 PolarHBondContact O-N 2.94Å
483	A	41.3	Very low	49.3	Very low	99 Å²	99	147.9 Å²	147.9	82%	0.818	76%	0.755	S	S	*	*			trans	-63.9	123.9	155.5	0	0	0	0	0	108.1	T481	T481-A483 PolarHBondContact O-N 3.39Å
484	E	49.5	Very low	47.4	Very low	265 Å²	265	155.2 Å²	155.2	100%	1.238	79%	0.791	S	S	*	*			trans	-109.3	0	150.3	-80.5	-174.2	168.7	0	0	107.9

Retrieved 484 of 484 residues in 181.9 ms (Link to these results)

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