A0A077YZC8_TRITR Loading...

DUF4505 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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	S	37.2	Very low	63	Low	172 Å²	172	135 Å²	135	100%	1.203	74%	0.736	S	S	*	*				0	119.2	0	39.1	0	0	0	0	108.4	G3	S1-G3 PolarHBondContact O-N 3.01Å; S1-G3 VanDerWaalsContact O-N 3.13Å
2	C	41.3	Very low	65.5	Low	132 Å²	132	132.5 Å²	132.5	89%	0.892	72%	0.716	S	S	*	*			trans	-70.1	106.1	176.1	-170.3	0	0	0	0	107.7	C4	C2-C4 PolarHBondContact O-N 3.46Å
3	G	45.1	Very low	67.5	Low	64 Å²	64	124.3 Å²	124.3	66%	0.66	68%	0.681	S	S	*	*			trans	-63.6	105.3	178.2	0	0	0	0	0	109.3	S1 R5	S1-G3 PolarHBondContact O-N 3.01Å; S1-G3 VanDerWaalsContact O-N 3.13Å; G3-R5 PolarHBondContact O-N 3.36Å
4	C	48.3	Very low	69.3	Low	126 Å²	126	118.5 Å²	118.5	85%	0.851	65%	0.647	S	S	*	*			trans	-58.3	93.6	162.6	-84.2	0	0	0	0	107.1	C2 R6	C2-C4 PolarHBondContact O-N 3.46Å; C4-R6 PolarHBondContact O-N 3.24Å
5	R	53.1	Low	70.9	Confident	229 Å²	229	115.5 Å²	115.5	86%	0.864	64%	0.638	S	S	*	*			trans	-61.6	95	162.3	-69.6	-173.7	-163	-149.8	3.4	105	G3 F7	G3-R5 PolarHBondContact O-N 3.36Å; R5-F7 PolarHBondContact O-N 2.82Å
6	R	57.6	Low	71.7	Confident	227 Å²	227	112.8 Å²	112.8	86%	0.857	63%	0.627	S	S	*	*			trans	-52	115.2	166.2	-126.6	179.9	174.3	137.2	-1.2	104.7	C4 L8	C4-R6 PolarHBondContact O-N 3.24Å; R6-L8 VanDerWaalsContact C-N 3.32Å; R6-L8 PolarHBondContact O-N 2.8Å
7	F	67.9	Low	72.2	Confident	201 Å²	201	111.2 Å²	111.2	88%	0.882	63%	0.625	S	S	*	*			trans	-62.1	104.4	173.3	-88.3	-88.5	0	0	0	106.1	R5 S9	R5-F7 PolarHBondContact O-N 2.82Å; F7-S9 PolarHBondContact O-N 2.82Å
8	L	78.2	Confident	73	Confident	66 Å²	66	115.8 Å²	115.8	35%	0.346	64%	0.637	S	S	.	*			trans	-66	103.5	177.7	-179.7	69.8	0	0	0	107.2	R6 Y10 Y55 E58 F59	R6-L8 VanDerWaalsContact C-N 3.32Å; R6-L8 PolarHBondContact O-N 2.8Å; L8-Y10 HydrophobicContact CD2-CD1 4.02Å; L8-Y10 HydrophobicContact CD2-CE1 3.9Å; L8-Y10 HydrophobicContact CG-CD1 3.95Å; L8-Y10 HydrophobicContact CG-CE1 4.27Å; L8-Y55 HydrophobicContact CD1-CD1 3.8Å; L8-Y55 HydrophobicContact CD1-CE1 4.29Å; L8-E58 HydrophobicContact CD1-CB 3.99Å; L8-E58 HydrophobicContact CD1-CG 3.66Å; L8-E58 HydrophobicContact CD2-CB 3.53Å; L8-E58 HydrophobicContact CD2-CG 3.71Å; L8-E58 HydrophobicContact CG-CB 4.37Å; L8-E58 HydrophobicContact CG-CG 4.18Å; L8-F59 HydrophobicContact CD2-CE2 3.86Å
9	S	84.5	Confident	73.9	Confident	98 Å²	98	114.3 Å²	114.3	69%	0.685	62%	0.624	S	S	*	*			trans	-98.2	118.6	177.6	-179.4	0	0	0	0	109.1	F7	F7-S9 PolarHBondContact O-N 2.82Å
10	Y	88.7	Confident	74.9	Confident	79 Å²	79	113.9 Å²	113.9	31%	0.31	61%	0.612	S	S	.	*			trans	-143.3	151.1	169.5	63.4	-95.8	0	0	0	110.3	L8 F23 F59	L8-Y10 HydrophobicContact CD2-CD1 4.02Å; L8-Y10 HydrophobicContact CD2-CE1 3.9Å; L8-Y10 HydrophobicContact CG-CD1 3.95Å; L8-Y10 HydrophobicContact CG-CE1 4.27Å; Y10-F23 HydrophobicContact CD1-CD1 4.44Å; Y10-F23 HydrophobicContact CD2-CB 3.82Å; Y10-F23 AromaticContact CD2-CD1 3.96Å; Y10-F23 HydrophobicContact CD2-CD1 3.96Å; Y10-F23 AromaticContact CD2-CD2 3.4Å; Y10-F23 HydrophobicContact CD2-CD2 3.4Å; Y10-F23 HydrophobicContact CD2-CE1 4.41Å; Y10-F23 AromaticContact CD2-CE2 3.94Å; Y10-F23 HydrophobicContact CD2-CE2 3.94Å; Y10-F23 AromaticContact CD2-CG 3.42Å; Y10-F23 HydrophobicContact CD2-CG 3.42Å; Y10-F23 VanDerWaalsContact CD2-CG 3.42Å; Y10-F23 HydrophobicContact CD2-CZ 4.41Å; Y10-F23 HydrophobicContact CE2-CB 3.68Å; Y10-F23 HydrophobicContact CE2-CD1 4.47Å; Y10-F23 HydrophobicContact CE2-CD2 4.14Å; Y10-F23 AromaticContact CE2-CG 3.84Å; Y10-F23 HydrophobicContact CE2-CG 3.84Å; Y10-F23 AromaticContact CG-CD1 3.95Å; Y10-F23 HydrophobicContact CG-CD1 3.95Å; Y10-F23 AromaticContact CG-CD2 3.97Å; Y10-F23 HydrophobicContact CG-CD2 3.97Å; Y10-F23 HydrophobicContact CG-CE1 4.06Å; Y10-F23 HydrophobicContact CG-CE2 4.12Å; Y10-F23 AromaticContact CG-CG 3.9Å; Y10-F23 HydrophobicContact CG-CG 3.9Å; Y10-F23 HydrophobicContact CG-CZ 4.16Å; Y10-F59 HydrophobicContact CD1-CE2 4.1Å; Y10-F59 HydrophobicContact CD1-CZ 4.13Å; Y10-F59 HydrophobicContact CE1-CE2 4.04Å; Y10-F59 AromaticContact CE1-CZ 3.71Å; Y10-F59 HydrophobicContact CE1-CZ 3.71Å; Y10-F59 AromaticContact CZ-CZ 3.93Å
11	V	90.6	Very high	75.9	Confident	91 Å²	91	108.6 Å²	108.6	55%	0.552	58%	0.584	S	S	*	*			trans	-123.9	133.4	177	-178.8	0	0	0	0	108.7	G13 Q14	V11-G13 PolarHBondContact O-N 2.98Å; V11-Q14 HydrophobicContact CB-CB 4.19Å; V11-Q14 WeakPolarHBondContact O-CB 3.16Å; V11-Q14 WeakPolarHBondContact O-CG 3.36Å; V11-Q14 PolarHBondContact O-N 2.87Å
12	Q	93.3	Very high	78.7	Confident	105 Å²	105	103.3 Å²	103.3	49%	0.491	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	129	176.7	-66.8	-67.5	-6.4	0	0	110.6	Q14 F23	Q12-Q14 VanDerWaalsContact C-N 3.29Å; Q12-Q14 PolarHBondContact O-N 2.84Å; Q12-F23 PolarHBondContact NE2-O 3.23Å
13	G	91.8	Very high	81.2	Confident	26 Å²	26	97.5 Å²	97.5	27%	0.268	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	9.1	179.1	0	0	0	0	0	114.7	V11 E21	V11-G13 PolarHBondContact O-N 2.98Å; G13-E21 WeakPolarHBondContact CA-O 3.33Å; G13-E21 PolarHBondContact N-O 2.93Å
14	Q	93.2	Very high	83.6	Confident	43 Å²	43	95.6 Å²	95.6	20%	0.201	47%	0.471	C	S	.	.	B	Isolated β-bridge	trans	-61.7	150.4	176.8	66.7	-173.6	10.9	0	0	111.9	V11 Q12 P16 R20 E21 F23 Y55	V11-Q14 HydrophobicContact CB-CB 4.19Å; V11-Q14 WeakPolarHBondContact O-CB 3.16Å; V11-Q14 WeakPolarHBondContact O-CG 3.36Å; V11-Q14 PolarHBondContact O-N 2.87Å; Q12-Q14 VanDerWaalsContact C-N 3.29Å; Q12-Q14 PolarHBondContact O-N 2.84Å; Q14-P16 VanDerWaalsContact C-CD 3.48Å; Q14-R20 CarbonylContact O-C 3.59Å; Q14-R20 WeakPolarHBondContact O-CA 3.41Å; Q14-E21 HydrophobicContact CG-CB 3.91Å; Q14-E21 HydrophobicContact CG-CG 4.4Å; Q14-E21 PolarHBondContact NE2-OE2 2.72Å; Q14-E21 PolarHBondContact O-N 3.17Å; Q14-F23 HydrophobicContact CG-CE2 4.39Å; Q14-Y55 PolarHBondContact NE2-OH 2.92Å
15	S	92.6	Very high	85.8	Confident	73 Å²	73	93.8 Å²	93.8	51%	0.51	45%	0.449	S	S	.	.			trans	-130	67.7	179.8	-58.3	0	0	0	0	111.1	C17 R20	S15-C17 PolarHBondContact O-N 3.19Å; S15-R20 WeakPolarHBondContact OG-CG 3.47Å
16	P	84.3	Confident	87.8	Confident	72 Å²	72	83 Å²	83	47%	0.468	41%	0.408	S	S	.	.	S	Bend	trans	-65.6	-20.6	179.5	26.4	-33.4	0	0	0	112.7	Q14 E21	Q14-P16 VanDerWaalsContact C-CD 3.48Å; P16-E21 HydrophobicContact CG-CG 4.37Å; P16-E21 WeakPolarHBondContact CG-OE1 3.42Å
17	C	79.3	Confident	89.4	Confident	86 Å²	86	73.7 Å²	73.7	58%	0.581	38%	0.375	S	S	*	.	S	Bend	trans	-132.2	-154.1	175.4	-64.6	0	0	0	0	109.7	S15 F19	S15-C17 PolarHBondContact O-N 3.19Å; C17-F19 PolarHBondContact O-N 2.99Å
18	K	86.5	Confident	90.4	Very high	194 Å²	194	67.4 Å²	67.4	84%	0.843	35%	0.349	S	S	*	.	S	Bend	trans	-72.2	-2.9	178	-63.7	-174.8	179.9	-179.6	0	115.1
19	F	89.9	Confident	90.9	Very high	88 Å²	88	68.8 Å²	68.8	39%	0.386	35%	0.353	S	S	.	.	S	Bend	trans	-118.5	145.3	-175.4	-53.2	-75.8	0	0	0	110.5	C17 T67 H69	C17-F19 PolarHBondContact O-N 2.99Å; F19-T67 CarbonylContact C-O 3.53Å; F19-T67 VanDerWaalsContact CA-O 3.28Å; F19-T67 WeakPolarHBondContact CA-O 3.43Å; F19-H69 AromaticContact CD1-NE2 3.82Å; F19-H69 AromaticContact CD2-CE1 3.72Å; F19-H69 AromaticContact CD2-NE2 3.89Å; F19-H69 AromaticContact CG-CE1 3.85Å; F19-H69 AromaticContact CG-NE2 3.66Å
20	R	94.7	Very high	91	Very high	105 Å²	105	64.2 Å²	64.2	40%	0.396	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136	169	-73.7	-171.1	-67.7	-99.9	5.2	109.6	Q14 S15 Y22 T67 E68 H69	Q14-R20 CarbonylContact O-C 3.59Å; Q14-R20 WeakPolarHBondContact O-CA 3.41Å; S15-R20 WeakPolarHBondContact OG-CG 3.47Å; R20-Y22 HydrophobicContact CB-CE2 4.12Å; R20-T67 PolarHBondContact N-O 2.66Å; R20-E68 HydrophobicContact CB-CG 4.35Å; R20-E68 IonicContact CZ-OE1 3.76Å; R20-E68 IonicContact NE-OE1 3.1Å; R20-E68 PolarHBondContact NE-OE1 2.8Å; R20-E68 VanDerWaalsContact NE-OE1 3.1Å; R20-E68 IonicContact NH2-OE1 2.65Å; R20-E68 PolarHBondContact NH2-OE1 2.79Å; R20-E68 CarbonylContact O-C 3.59Å; R20-E68 WeakPolarHBondContact O-CA 3.4Å; R20-H69 PolarHBondContact O-N 3.26Å
21	E	95.3	Very high	90.9	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.019	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127.4	-179.9	-54.4	-175.8	159.8	0	0	110.4	G13 Q14 P16 F23 R54 Y55 H69 Y71	G13-E21 WeakPolarHBondContact CA-O 3.33Å; G13-E21 PolarHBondContact N-O 2.93Å; Q14-E21 HydrophobicContact CG-CB 3.91Å; Q14-E21 HydrophobicContact CG-CG 4.4Å; Q14-E21 PolarHBondContact NE2-OE2 2.72Å; Q14-E21 PolarHBondContact O-N 3.17Å; P16-E21 HydrophobicContact CG-CG 4.37Å; P16-E21 WeakPolarHBondContact CG-OE1 3.42Å; E21-F23 HydrophobicContact CB-CE2 3.83Å; E21-F23 HydrophobicContact CB-CZ 3.86Å; E21-R54 IonicContact OE1-CZ 3.21Å; E21-R54 IonicContact OE1-NE 2.66Å; E21-R54 PolarHBondContact OE1-NE 2.82Å; E21-R54 IonicContact OE1-NH2 2.99Å; E21-R54 PolarHBondContact OE1-NH2 2.82Å; E21-R54 IonicContact OE2-NH2 3.19Å; E21-R54 PolarHBondContact OE2-NH2 2.9Å; E21-Y55 WeakPolarHBondContact OE2-CE2 3.16Å; E21-Y55 PolarHBondContact OE2-OH 3.03Å; E21-H69 WeakPolarHBondContact CA-O 3.43Å; E21-Y71 HydrophobicContact CB-CD2 4.3Å; E21-Y71 HydrophobicContact CB-CE2 4.06Å; E21-Y71 HydrophobicContact CG-CE2 3.93Å
22	Y	95.5	Very high	90.7	Very high	60 Å²	60	61.5 Å²	61.5	24%	0.235	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.3	172.1	-65.8	-79.1	0	0	0	109.8	R20 Y24 E68 H69 N70 Y71	R20-Y22 HydrophobicContact CB-CE2 4.12Å; Y22-Y24 VanDerWaalsContact CB-CE2 3.45Å; Y22-Y24 HydrophobicContact CG-CE2 4.46Å; Y22-E68 HydrophobicContact CD2-CB 4.38Å; Y22-E68 HydrophobicContact CE2-CB 4.37Å; Y22-E68 HydrophobicContact CE2-CG 4.2Å; Y22-H69 PolarHBondContact N-O 2.84Å; Y22-N70 CarbonylContact O-C 3.53Å; Y22-Y71 PolarHBondContact O-N 3.45Å
23	F	95.4	Very high	89.9	Confident	10 Å²	10	60.1 Å²	60.1	4%	0.044	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	119.2	-171.6	-57.7	-92	0	0	0	109.7	Y10 Q12 Q14 E21 Y55 F59 Y71	Y10-F23 HydrophobicContact CD1-CD1 4.44Å; Y10-F23 HydrophobicContact CD2-CB 3.82Å; Y10-F23 AromaticContact CD2-CD1 3.96Å; Y10-F23 HydrophobicContact CD2-CD1 3.96Å; Y10-F23 AromaticContact CD2-CD2 3.4Å; Y10-F23 HydrophobicContact CD2-CD2 3.4Å; Y10-F23 HydrophobicContact CD2-CE1 4.41Å; Y10-F23 AromaticContact CD2-CE2 3.94Å; Y10-F23 HydrophobicContact CD2-CE2 3.94Å; Y10-F23 AromaticContact CD2-CG 3.42Å; Y10-F23 HydrophobicContact CD2-CG 3.42Å; Y10-F23 VanDerWaalsContact CD2-CG 3.42Å; Y10-F23 HydrophobicContact CD2-CZ 4.41Å; Y10-F23 HydrophobicContact CE2-CB 3.68Å; Y10-F23 HydrophobicContact CE2-CD1 4.47Å; Y10-F23 HydrophobicContact CE2-CD2 4.14Å; Y10-F23 AromaticContact CE2-CG 3.84Å; Y10-F23 HydrophobicContact CE2-CG 3.84Å; Y10-F23 AromaticContact CG-CD1 3.95Å; Y10-F23 HydrophobicContact CG-CD1 3.95Å; Y10-F23 AromaticContact CG-CD2 3.97Å; Y10-F23 HydrophobicContact CG-CD2 3.97Å; Y10-F23 HydrophobicContact CG-CE1 4.06Å; Y10-F23 HydrophobicContact CG-CE2 4.12Å; Y10-F23 AromaticContact CG-CG 3.9Å; Y10-F23 HydrophobicContact CG-CG 3.9Å; Y10-F23 HydrophobicContact CG-CZ 4.16Å; Q12-F23 PolarHBondContact NE2-O 3.23Å; Q14-F23 HydrophobicContact CG-CE2 4.39Å; E21-F23 HydrophobicContact CB-CE2 3.83Å; E21-F23 HydrophobicContact CB-CZ 3.86Å; F23-Y55 AromaticContact CE1-CD2 3.73Å; F23-Y55 HydrophobicContact CE1-CD2 3.73Å; F23-Y55 HydrophobicContact CE1-CE1 4.43Å; F23-Y55 AromaticContact CE1-CE2 3.58Å; F23-Y55 HydrophobicContact CE1-CE2 3.58Å; F23-Y55 HydrophobicContact CE1-CG 4.22Å; F23-Y55 AromaticContact CE1-CZ 3.95Å; F23-Y55 HydrophobicContact CZ-CD2 4.26Å; F23-Y55 AromaticContact CZ-CE2 3.64Å; F23-Y55 HydrophobicContact CZ-CE2 3.64Å; F23-Y55 AromaticContact CZ-CZ 3.87Å; F23-F59 HydrophobicContact CB-CE1 3.83Å; F23-F59 HydrophobicContact CB-CZ 3.89Å; F23-F59 HydrophobicContact CD1-CD1 4.31Å; F23-F59 HydrophobicContact CD1-CD2 4.11Å; F23-F59 AromaticContact CD1-CE1 3.85Å; F23-F59 HydrophobicContact CD1-CE1 3.85Å; F23-F59 AromaticContact CD1-CE2 3.58Å; F23-F59 HydrophobicContact CD1-CE2 3.58Å; F23-F59 HydrophobicContact CD1-CG 4.44Å; F23-F59 AromaticContact CD1-CZ 3.46Å; F23-F59 HydrophobicContact CD1-CZ 3.46Å; F23-F59 VanDerWaalsContact CD1-CZ 3.46Å; F23-F59 HydrophobicContact CE1-CE2 4.13Å; F23-F59 HydrophobicContact CE1-CZ 4.42Å; F23-F59 HydrophobicContact CG-CE1 4.34Å; F23-F59 HydrophobicContact CG-CZ 4.07Å; F23-Y71 CarbonylContact C-O 3.47Å; F23-Y71 WeakPolarHBondContact CA-O 3.28Å; F23-Y71 HydrophobicContact CD1-CD2 4.21Å; F23-Y71 HydrophobicContact CD1-CG 4.34Å; F23-Y71 AromaticContact CE1-CD2 3.7Å; F23-Y71 HydrophobicContact CE1-CD2 3.7Å; F23-Y71 HydrophobicContact CE1-CG 4.12Å; F23-Y71 HydrophobicContact CZ-CD2 4.06Å
24	Y	95.4	Very high	88.9	Confident	24 Å²	24	68.8 Å²	68.8	9%	0.094	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.4	-175.5	-60.5	-86.5	0	0	0	111.3	Y22 V32 E35 F39 F43 N70 Y71 R73	Y22-Y24 VanDerWaalsContact CB-CE2 3.45Å; Y22-Y24 HydrophobicContact CG-CE2 4.46Å; Y24-V32 HydrophobicContact CD1-CG1 3.44Å; Y24-V32 VanDerWaalsContact CD1-CG1 3.44Å; Y24-V32 HydrophobicContact CE1-CG1 4.04Å; Y24-V32 HydrophobicContact CG-CG1 4.07Å; Y24-E35 HydrophobicContact CE1-CG 4.11Å; Y24-F39 HydrophobicContact CE1-CZ 4.49Å; Y24-F39 HydrophobicContact CE2-CZ 4.31Å; Y24-F39 AromaticContact CZ-CZ 3.88Å; Y24-F43 AromaticContact CD2-CE2 3.79Å; Y24-F43 HydrophobicContact CD2-CE2 3.79Å; Y24-F43 HydrophobicContact CD2-CZ 4.43Å; Y24-F43 HydrophobicContact CE2-CE2 4.21Å; Y24-F43 HydrophobicContact CG-CE2 4.12Å; Y24-F43 HydrophobicContact CG-CZ 4.39Å; Y24-N70 HydrophobicContact CD2-CB 3.9Å; Y24-N70 HydrophobicContact CE2-CB 3.67Å; Y24-N70 WeakPolarHBondContact CE2-OD1 3.38Å; Y24-Y71 PolarHBondContact N-O 3.49Å; Y24-R73 PolarHBondContact O-N 3.1Å; Y24-R73 VanDerWaalsContact O-N 3.12Å
25	F	94.6	Very high	88.2	Confident	89 Å²	89	69.5 Å²	69.5	39%	0.39	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.7	169.4	179.9	-100.4	0	0	0	108.3	D27 R73 D75	F25-D27 HydrophobicContact CD1-CB 4.32Å; F25-D27 HydrophobicContact CE1-CB 3.88Å; F25-R73 VanDerWaalsContact CA-O 3.3Å; F25-R73 WeakPolarHBondContact CA-O 3.44Å; F25-R73 HydrophobicContact CD2-CG 4.03Å; F25-D75 HydrophobicContact CZ-CB 3.79Å
26	I	93.8	Very high	87.8	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.6	171	-58.8	173.7	0	0	0	107.8	V32 F43 F44 L47 I72 R73 C74 D75 P78 V80	I26-V32 HydrophobicContact CD1-CG2 4.47Å; I26-V32 HydrophobicContact CG1-CG2 3.89Å; I26-F43 HydrophobicContact CD1-CE1 4.3Å; I26-F44 HydrophobicContact CD1-CE1 3.91Å; I26-F44 HydrophobicContact CD1-CZ 4.12Å; I26-L47 HydrophobicContact CD1-CD2 4.41Å; I26-I72 HydrophobicContact CD1-CG2 3.64Å; I26-I72 HydrophobicContact CG1-CG2 3.9Å; I26-R73 PolarHBondContact N-O 3.35Å; I26-C74 HydrophobicContact CB-CB 4.01Å; I26-C74 VanDerWaalsContact O-CA 3.24Å; I26-C74 WeakPolarHBondContact O-CA 3.46Å; I26-D75 PolarHBondContact O-N 2.74Å; I26-P78 WeakPolarHBondContact CD1-O 3.44Å; I26-V80 HydrophobicContact CG2-CG2 4.25Å
27	D	91.1	Very high	87.8	Confident	33 Å²	33	75.8 Å²	75.8	18%	0.176	35%	0.349	C	S	.	.			trans	-82	178	177.1	68.4	14	0	0	0	112.6	F25 H29 G30 Q31	F25-D27 HydrophobicContact CD1-CB 4.32Å; F25-D27 HydrophobicContact CE1-CB 3.88Å; D27-H29 PolarHBondContact O-N 3.37Å; D27-H29 VanDerWaalsContact O-N 3.16Å; D27-H29 VanDerWaalsContact OD1-CA 3.3Å; D27-H29 WeakPolarHBondContact OD1-CA 3.33Å; D27-H29 WeakPolarHBondContact OD1-CB 3.42Å; D27-H29 PolarHBondContact OD1-N 2.82Å; D27-H29 IonicContact OD2-CD2 3.7Å; D27-G30 PolarHBondContact O-N 2.81Å; D27-G30 PolarHBondContact OD1-N 2.9Å; D27-Q31 PolarHBondContact OD1-N 3.42Å
28	H	88.8	Confident	88.1	Confident	69 Å²	69	76.1 Å²	76.1	32%	0.319	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-7.1	177.6	62	-88.6	0	0	0	114	L134	H28-L134 HydrophobicContact CB-CD2 4.22Å
29	H	89.5	Confident	88.2	Confident	95 Å²	95	67.8 Å²	67.8	44%	0.44	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.7	170.2	-57.6	-59.5	0	0	0	112.4	D27 Q31 T82	D27-H29 PolarHBondContact O-N 3.37Å; D27-H29 VanDerWaalsContact O-N 3.16Å; D27-H29 VanDerWaalsContact OD1-CA 3.3Å; D27-H29 WeakPolarHBondContact OD1-CA 3.33Å; D27-H29 WeakPolarHBondContact OD1-CB 3.42Å; D27-H29 PolarHBondContact OD1-N 2.82Å; D27-H29 IonicContact OD2-CD2 3.7Å; H29-Q31 VanDerWaalsContact C-N 3.26Å; H29-Q31 PolarHBondContact O-N 3.13Å; H29-T82 VanDerWaalsContact O-CG2 3.29Å; H29-T82 WeakPolarHBondContact O-CG2 3.3Å
30	G	87.4	Confident	88.3	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.01	29%	0.29	C	S	.	.			trans	72.7	18.5	-177.3	0	0	0	0	0	113.5	D27 N98	D27-G30 PolarHBondContact O-N 2.81Å; D27-G30 PolarHBondContact OD1-N 2.9Å; G30-N98 PolarHBondContact O-ND2 3.45Å
31	Q	86.3	Confident	88.2	Confident	107 Å²	107	59.8 Å²	59.8	50%	0.5	28%	0.275	S	S	.	.			trans	-83.8	133.4	-177.5	-166.9	171.4	35.6	0	0	110.8	D27 H29	D27-Q31 PolarHBondContact OD1-N 3.42Å; H29-Q31 VanDerWaalsContact C-N 3.26Å; H29-Q31 PolarHBondContact O-N 3.13Å
32	V	85.2	Confident	88	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.042	30%	0.299	C	S	.	.			trans	-109.3	108.4	162.3	-178.7	0	0	0	0	105.5	Y24 I26 K34 E35 L40 F43 F44	Y24-V32 HydrophobicContact CD1-CG1 3.44Å; Y24-V32 VanDerWaalsContact CD1-CG1 3.44Å; Y24-V32 HydrophobicContact CE1-CG1 4.04Å; Y24-V32 HydrophobicContact CG-CG1 4.07Å; I26-V32 HydrophobicContact CD1-CG2 4.47Å; I26-V32 HydrophobicContact CG1-CG2 3.89Å; V32-K34 PolarHBondContact O-N 3.38Å; V32-E35 HydrophobicContact CG1-CG 3.98Å; V32-L40 HydrophobicContact CB-CD2 3.77Å; V32-L40 HydrophobicContact CG1-CD2 4.34Å; V32-L40 HydrophobicContact CG2-CD2 4.28Å; V32-F43 HydrophobicContact CG1-CZ 4.43Å; V32-F43 HydrophobicContact CG2-CE1 3.88Å; V32-F43 HydrophobicContact CG2-CZ 4.22Å; V32-F44 HydrophobicContact CG2-CE2 4.01Å; V32-F44 HydrophobicContact CG2-CZ 3.87Å
33	S	76.9	Confident	87.9	Confident	76 Å²	76	62.4 Å²	62.4	53%	0.531	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	132.7	-164.9	62.4	0	0	0	0	113.1	E35	S33-E35 VanDerWaalsContact C-N 3.32Å; S33-E35 PolarHBondContact O-N 2.98Å
34	K	71.1	Confident	87.9	Confident	207 Å²	207	62.3 Å²	62.3	90%	0.9	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	16.1	167.9	-56.8	-178.1	178.6	179.8	0	117	V32	V32-K34 PolarHBondContact O-N 3.38Å
35	E	79.6	Confident	87.9	Confident	58 Å²	58	67.9 Å²	67.9	27%	0.271	31%	0.313	S	S	.	.			trans	-97.2	148.8	179.2	-60.1	-56	148.5	0	0	113.3	Y24 V32 S33 F39 L40	Y24-E35 HydrophobicContact CE1-CG 4.11Å; V32-E35 HydrophobicContact CG1-CG 3.98Å; S33-E35 VanDerWaalsContact C-N 3.32Å; S33-E35 PolarHBondContact O-N 2.98Å; E35-F39 HydrophobicContact CB-CD1 3.53Å; E35-F39 HydrophobicContact CB-CE1 4Å; E35-F39 HydrophobicContact CB-CG 4.33Å; E35-F39 HydrophobicContact CG-CD1 3.67Å; E35-F39 HydrophobicContact CG-CE1 3.6Å; E35-F39 HydrophobicContact CG-CZ 4.45Å; E35-L40 HydrophobicContact CB-CD2 3.81Å; E35-L40 HydrophobicContact CB-CG 4.11Å
36	Y	83.3	Confident	87.9	Confident	145 Å²	145	68.9 Å²	68.9	57%	0.569	31%	0.314	S	S	*	.			trans	-84.1	156.5	180	58.1	-83.9	0	0	0	112.2	E38 F39 L40	Y36-E38 VanDerWaalsContact C-N 3.31Å; Y36-E38 HydrophobicContact CD2-CB 3.81Å; Y36-E38 HydrophobicContact CE2-CB 3.8Å; Y36-E38 PolarHBondContact O-N 3.41Å; Y36-F39 HydrophobicContact CD1-CB 4Å; Y36-F39 HydrophobicContact CD2-CB 3.94Å; Y36-F39 HydrophobicContact CE1-CB 3.71Å; Y36-F39 HydrophobicContact CE2-CB 3.66Å; Y36-F39 VanDerWaalsContact CE2-N 3.31Å; Y36-F39 HydrophobicContact CG-CB 4.1Å; Y36-F39 WeakPolarHBondContact O-CB 3.16Å; Y36-F39 PolarHBondContact O-N 2.77Å; Y36-F39 VanDerWaalsContact O-N 3.08Å; Y36-L40 WeakPolarHBondContact O-CG 3.27Å; Y36-L40 PolarHBondContact O-N 2.8Å
37	K	83.6	Confident	88	Confident	133 Å²	133	69.2 Å²	69.2	58%	0.578	32%	0.315	S	S	*	.	H	α-helix	trans	-58.2	-37.8	-170	-69.9	-177.1	178.8	178.3	0	113.8	L40 T41	K37-L40 PolarHBondContact O-N 3.4Å; K37-T41 PolarHBondContact O-N 2.77Å; K37-T41 PolarHBondContact O-OG1 3.03Å
38	E	86.4	Confident	88.3	Confident	93 Å²	93	71.9 Å²	71.9	44%	0.435	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-46.1	177.6	-68.6	59.4	-133.5	0	0	110.5	Y36 L40 T41 F42 K102	Y36-E38 VanDerWaalsContact C-N 3.31Å; Y36-E38 HydrophobicContact CD2-CB 3.81Å; Y36-E38 HydrophobicContact CE2-CB 3.8Å; Y36-E38 PolarHBondContact O-N 3.41Å; E38-L40 PolarHBondContact O-N 3.27Å; E38-T41 WeakPolarHBondContact O-CB 2.96Å; E38-T41 PolarHBondContact O-N 2.82Å; E38-F42 VanDerWaalsContact O-CD2 3.23Å; E38-F42 WeakPolarHBondContact O-CD2 3.32Å; E38-F42 PolarHBondContact O-N 2.86Å; E38-F42 VanDerWaalsContact O-N 3.11Å; E38-K102 IonicContact OE1-NZ 3.42Å; E38-K102 PolarHBondContact OE1-NZ 2.94Å
39	F	89.4	Confident	88.7	Confident	18 Å²	18	74.9 Å²	74.9	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-56.8	-51.4	173.5	173.6	-88.1	0	0	0	110.6	Y24 E35 Y36 T41 F42 F43	Y24-F39 HydrophobicContact CE1-CZ 4.49Å; Y24-F39 HydrophobicContact CE2-CZ 4.31Å; Y24-F39 AromaticContact CZ-CZ 3.88Å; E35-F39 HydrophobicContact CB-CD1 3.53Å; E35-F39 HydrophobicContact CB-CE1 4Å; E35-F39 HydrophobicContact CB-CG 4.33Å; E35-F39 HydrophobicContact CG-CD1 3.67Å; E35-F39 HydrophobicContact CG-CE1 3.6Å; E35-F39 HydrophobicContact CG-CZ 4.45Å; Y36-F39 HydrophobicContact CD1-CB 4Å; Y36-F39 HydrophobicContact CD2-CB 3.94Å; Y36-F39 HydrophobicContact CE1-CB 3.71Å; Y36-F39 HydrophobicContact CE2-CB 3.66Å; Y36-F39 VanDerWaalsContact CE2-N 3.31Å; Y36-F39 HydrophobicContact CG-CB 4.1Å; Y36-F39 WeakPolarHBondContact O-CB 3.16Å; Y36-F39 PolarHBondContact O-N 2.77Å; Y36-F39 VanDerWaalsContact O-N 3.08Å; F39-T41 PolarHBondContact O-N 3.01Å; F39-F42 PolarHBondContact O-N 3.01Å; F39-F43 HydrophobicContact CD1-CB 4.1Å; F39-F43 HydrophobicContact CE1-CB 3.83Å; F39-F43 AromaticContact CE1-CD2 3.64Å; F39-F43 HydrophobicContact CE1-CD2 3.64Å; F39-F43 HydrophobicContact CE1-CE2 4.4Å; F39-F43 AromaticContact CE1-CG 3.93Å; F39-F43 HydrophobicContact CE1-CG 3.93Å; F39-F43 HydrophobicContact CZ-CB 4.27Å; F39-F43 AromaticContact CZ-CD2 3.69Å; F39-F43 HydrophobicContact CZ-CD2 3.69Å; F39-F43 HydrophobicContact CZ-CE2 4.43Å; F39-F43 HydrophobicContact CZ-CG 4.34Å; F39-F43 WeakPolarHBondContact O-CB 3.41Å; F39-F43 PolarHBondContact O-N 3.21Å
40	L	91.1	Very high	89.1	Confident	12 Å²	12	71 Å²	71	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-56.2	-42	-179.7	-66.4	174.8	0	0	0	111.5	V32 E35 Y36 K37 E38 F42 F43 F44	V32-L40 HydrophobicContact CB-CD2 3.77Å; V32-L40 HydrophobicContact CG1-CD2 4.34Å; V32-L40 HydrophobicContact CG2-CD2 4.28Å; E35-L40 HydrophobicContact CB-CD2 3.81Å; E35-L40 HydrophobicContact CB-CG 4.11Å; Y36-L40 WeakPolarHBondContact O-CG 3.27Å; Y36-L40 PolarHBondContact O-N 2.8Å; K37-L40 PolarHBondContact O-N 3.4Å; E38-L40 PolarHBondContact O-N 3.27Å; L40-F42 PolarHBondContact O-N 3.44Å; L40-F43 PolarHBondContact O-N 2.81Å; L40-F44 HydrophobicContact CD2-CE2 4.28Å; L40-F44 VanDerWaalsContact O-CD2 3.3Å; L40-F44 WeakPolarHBondContact O-CD2 3.45Å; L40-F44 PolarHBondContact O-N 3.12Å
41	T	91.7	Very high	89.4	Confident	13 Å²	13	75.7 Å²	75.7	8%	0.08	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-47.5	176.9	-54.7	0	0	0	0	111.6	K37 E38 F39 K45 K102 L103	K37-T41 PolarHBondContact O-N 2.77Å; K37-T41 PolarHBondContact O-OG1 3.03Å; E38-T41 WeakPolarHBondContact O-CB 2.96Å; E38-T41 PolarHBondContact O-N 2.82Å; F39-T41 PolarHBondContact O-N 3.01Å; T41-K45 HydrophobicContact CG2-CD 4.13Å; T41-K45 WeakPolarHBondContact O-CB 3.41Å; T41-K45 VanDerWaalsContact O-CG 3.22Å; T41-K45 WeakPolarHBondContact O-CG 3.42Å; T41-K45 PolarHBondContact O-N 3.2Å; T41-K102 HydrophobicContact CG2-CB 4.06Å; T41-K102 HydrophobicContact CG2-CD 4.41Å; T41-K102 WeakPolarHBondContact OG1-CD 3.35Å; T41-L103 HydrophobicContact CG2-CD2 4.32Å
42	F	92.1	Very high	89.8	Confident	119 Å²	119	72.8 Å²	72.8	52%	0.522	34%	0.336	S	S	.	.	H	α-helix	trans	-68	-42.5	177.1	-78.7	-71.3	0	0	0	112.6	E38 F39 L40 K45 R46	E38-F42 VanDerWaalsContact O-CD2 3.23Å; E38-F42 WeakPolarHBondContact O-CD2 3.32Å; E38-F42 PolarHBondContact O-N 2.86Å; E38-F42 VanDerWaalsContact O-N 3.11Å; F39-F42 PolarHBondContact O-N 3.01Å; L40-F42 PolarHBondContact O-N 3.44Å; F42-K45 PolarHBondContact O-N 3.16Å; F42-R46 PolarHBondContact O-N 2.98Å
43	F	94.3	Very high	90.1	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-56.5	-53.7	-179.4	174.8	-88	0	0	0	110.8	Y24 I26 V32 F39 L40 R46 L47 S63 N70 I72	Y24-F43 AromaticContact CD2-CE2 3.79Å; Y24-F43 HydrophobicContact CD2-CE2 3.79Å; Y24-F43 HydrophobicContact CD2-CZ 4.43Å; Y24-F43 HydrophobicContact CE2-CE2 4.21Å; Y24-F43 HydrophobicContact CG-CE2 4.12Å; Y24-F43 HydrophobicContact CG-CZ 4.39Å; I26-F43 HydrophobicContact CD1-CE1 4.3Å; V32-F43 HydrophobicContact CG1-CZ 4.43Å; V32-F43 HydrophobicContact CG2-CE1 3.88Å; V32-F43 HydrophobicContact CG2-CZ 4.22Å; F39-F43 HydrophobicContact CD1-CB 4.1Å; F39-F43 HydrophobicContact CE1-CB 3.83Å; F39-F43 AromaticContact CE1-CD2 3.64Å; F39-F43 HydrophobicContact CE1-CD2 3.64Å; F39-F43 HydrophobicContact CE1-CE2 4.4Å; F39-F43 AromaticContact CE1-CG 3.93Å; F39-F43 HydrophobicContact CE1-CG 3.93Å; F39-F43 HydrophobicContact CZ-CB 4.27Å; F39-F43 AromaticContact CZ-CD2 3.69Å; F39-F43 HydrophobicContact CZ-CD2 3.69Å; F39-F43 HydrophobicContact CZ-CE2 4.43Å; F39-F43 HydrophobicContact CZ-CG 4.34Å; F39-F43 WeakPolarHBondContact O-CB 3.41Å; F39-F43 PolarHBondContact O-N 3.21Å; L40-F43 PolarHBondContact O-N 2.81Å; F43-R46 PolarHBondContact O-N 3.08Å; F43-L47 PolarHBondContact O-N 3.1Å; F43-L47 VanDerWaalsContact O-N 3.14Å; F43-S63 WeakPolarHBondContact CA-OG 3.23Å; F43-S63 WeakPolarHBondContact O-CB 3.45Å; F43-S63 PolarHBondContact O-OG 3.21Å; F43-N70 HydrophobicContact CD2-CB 4.15Å; F43-N70 HydrophobicContact CE2-CB 3.9Å; F43-I72 HydrophobicContact CE1-CG1 4.26Å; F43-I72 HydrophobicContact CE2-CD1 3.99Å; F43-I72 HydrophobicContact CE2-CG1 3.83Å; F43-I72 HydrophobicContact CZ-CD1 3.9Å; F43-I72 HydrophobicContact CZ-CG1 3.34Å
44	F	95	Very high	90.9	Very high	8 Å²	8	75.8 Å²	75.8	4%	0.035	36%	0.355	C	S	.	.	H	α-helix	trans	-72	-35.2	-178.3	-81.6	-73.5	0	0	0	113	I26 V32 L40 R46 L47 I79 Y96 L103	I26-F44 HydrophobicContact CD1-CE1 3.91Å; I26-F44 HydrophobicContact CD1-CZ 4.12Å; V32-F44 HydrophobicContact CG2-CE2 4.01Å; V32-F44 HydrophobicContact CG2-CZ 3.87Å; L40-F44 HydrophobicContact CD2-CE2 4.28Å; L40-F44 VanDerWaalsContact O-CD2 3.3Å; L40-F44 WeakPolarHBondContact O-CD2 3.45Å; L40-F44 PolarHBondContact O-N 3.12Å; F44-R46 PolarHBondContact O-N 3.23Å; F44-L47 HydrophobicContact CD1-CD2 3.89Å; F44-L47 HydrophobicContact CE1-CD2 4.15Å; F44-L47 WeakPolarHBondContact O-CB 3.22Å; F44-L47 PolarHBondContact O-N 2.73Å; F44-I79 HydrophobicContact CD1-CD1 4.13Å; F44-Y96 HydrophobicContact CB-CE2 4.04Å; F44-Y96 HydrophobicContact CD1-CD2 4.26Å; F44-Y96 HydrophobicContact CD1-CE2 4.36Å; F44-Y96 HydrophobicContact CG-CD2 4.44Å; F44-Y96 HydrophobicContact CG-CE2 4.37Å; F44-L103 HydrophobicContact CB-CD1 3.61Å; F44-L103 HydrophobicContact CB-CD2 4.22Å; F44-L103 HydrophobicContact CD2-CD1 3.79Å; F44-L103 HydrophobicContact CG-CD1 3.95Å
45	K	93.8	Very high	92	Very high	142 Å²	142	67.8 Å²	67.8	62%	0.617	32%	0.32	S	S	*	.	H	α-helix	trans	-64.4	-21.6	175.9	-78.9	-178.9	178.4	-174.4	0	114	T41 F42 L103	T41-K45 HydrophobicContact CG2-CD 4.13Å; T41-K45 WeakPolarHBondContact O-CB 3.41Å; T41-K45 VanDerWaalsContact O-CG 3.22Å; T41-K45 WeakPolarHBondContact O-CG 3.42Å; T41-K45 PolarHBondContact O-N 3.2Å; F42-K45 PolarHBondContact O-N 3.16Å; K45-L103 HydrophobicContact CG-CD2 3.98Å
46	R	95.5	Very high	92.7	Very high	109 Å²	109	68.9 Å²	68.9	41%	0.411	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	6.4	179.6	-63.6	-172.5	-179.3	136.2	-5.2	113.3	F42 F43 F44 R48 L64	F42-R46 PolarHBondContact O-N 2.98Å; F43-R46 PolarHBondContact O-N 3.08Å; F44-R46 PolarHBondContact O-N 3.23Å; R46-R48 PolarHBondContact O-N 3.31Å; R46-L64 WeakPolarHBondContact CD-O 3.49Å
47	L	96.5	Very high	93.2	Very high	8 Å²	8	69 Å²	69	4%	0.042	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	129	178.7	-172.8	60.9	0	0	0	109.5	I26 F43 F44 I72 P78 I79 L129	I26-L47 HydrophobicContact CD1-CD2 4.41Å; F43-L47 PolarHBondContact O-N 3.1Å; F43-L47 VanDerWaalsContact O-N 3.14Å; F44-L47 HydrophobicContact CD1-CD2 3.89Å; F44-L47 HydrophobicContact CE1-CD2 4.15Å; F44-L47 WeakPolarHBondContact O-CB 3.22Å; F44-L47 PolarHBondContact O-N 2.73Å; L47-I72 HydrophobicContact CD1-CB 4.28Å; L47-I72 HydrophobicContact CD1-CD1 3.56Å; L47-I72 HydrophobicContact CD1-CG1 3.9Å; L47-P78 HydrophobicContact CD2-CB 3.87Å; L47-I79 HydrophobicContact CD2-CD1 4.27Å; L47-L129 HydrophobicContact CB-CD1 4.45Å; L47-L129 HydrophobicContact CD2-CD1 4.22Å; L47-L129 HydrophobicContact CG-CD1 4.24Å; L47-L129 HydrophobicContact CG-CD2 4.08Å
48	R	97	Very high	93.8	Very high	90 Å²	90	66 Å²	66	34%	0.34	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	174	-177.4	55.2	-178.7	146.2	-166.5	-9	111.3	R46 Y61 V62 E128	R46-R48 PolarHBondContact O-N 3.31Å; R48-Y61 CarbonylContact O-C 3.47Å; R48-Y61 WeakPolarHBondContact O-CA 3.3Å; R48-Y61 WeakPolarHBondContact O-CB 3.22Å; R48-V62 HydrophobicContact CG-CG1 3.92Å; R48-V62 WeakPolarHBondContact CG-O 3.33Å; R48-V62 PolarHBondContact N-O 2.76Å; R48-V62 PolarHBondContact O-N 3.38Å; R48-E128 HydrophobicContact CB-CG 4.15Å; R48-E128 WeakPolarHBondContact CB-OE1 3.3Å
49	R	97	Very high	94.3	Very high	131 Å²	131	61.6 Å²	61.6	49%	0.494	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	139.4	168.6	-76.4	-63.5	-146.4	173	8.6	111.2	S51 E128	R49-S51 PolarHBondContact O-N 2.76Å; R49-E128 WeakPolarHBondContact CG-O 3.17Å
50	N	97.1	Very high	94.6	Very high	14 Å²	14	62.7 Å²	62.7	8%	0.075	31%	0.312	C	S	.	.			trans	-77.3	113.5	172.1	-175.2	5.8	0	0	0	109.6	T52 R54 F59 P60 V62	N50-T52 WeakPolarHBondContact OD1-CB 3.4Å; N50-T52 WeakPolarHBondContact OD1-CG2 3.44Å; N50-T52 PolarHBondContact OD1-N 2.83Å; N50-T52 PolarHBondContact OD1-OG1 3.04Å; N50-R54 PolarHBondContact ND2-O 2.98Å; N50-F59 WeakPolarHBondContact CB-O 3.29Å; N50-F59 PolarHBondContact ND2-O 3.47Å; N50-P60 PolarHBondContact N-O 3.36Å; N50-V62 HydrophobicContact CB-CB 4.17Å; N50-V62 HydrophobicContact CB-CG1 4.44Å
51	S	95.4	Very high	94.9	Very high	99 Å²	99	63.1 Å²	63.1	69%	0.692	31%	0.313	S	S	*	.			trans	-129	28.9	173.1	54.3	0	0	0	0	111.1	R49 G53 E56	R49-S51 PolarHBondContact O-N 2.76Å; S51-G53 VanDerWaalsContact C-N 3.28Å; S51-G53 PolarHBondContact O-N 3.06Å; S51-E56 VanDerWaalsContact CA-OE1 3.3Å; S51-E56 WeakPolarHBondContact CA-OE1 3.34Å
52	T	93.4	Very high	95.2	Very high	46 Å²	46	62.6 Å²	62.6	28%	0.282	31%	0.309	S	S	.	.	S	Bend	trans	-82.7	-2.8	-174.2	65.7	0	0	0	0	113.7	N50 R54 E56 V62 L64 Y71	N50-T52 WeakPolarHBondContact OD1-CB 3.4Å; N50-T52 WeakPolarHBondContact OD1-CG2 3.44Å; N50-T52 PolarHBondContact OD1-N 2.83Å; N50-T52 PolarHBondContact OD1-OG1 3.04Å; T52-R54 PolarHBondContact O-N 3.46Å; T52-R54 PolarHBondContact OG1-N 3.01Å; T52-R54 PolarHBondContact OG1-O 3.16Å; T52-E56 PolarHBondContact N-OE1 2.67Å; T52-V62 HydrophobicContact CG2-CG1 4.19Å; T52-V62 HydrophobicContact CG2-CG2 4.27Å; T52-L64 HydrophobicContact CG2-CD2 4.36Å; T52-Y71 HydrophobicContact CG2-CE1 4.4Å; T52-Y71 WeakPolarHBondContact OG1-CE1 3.25Å; T52-Y71 PolarHBondContact OG1-OH 3.06Å
53	G	92.1	Very high	95.4	Very high	65 Å²	65	56.9 Å²	56.9	67%	0.67	28%	0.284	S	S	*	.	S	Bend	trans	74.1	5.9	-169.6	0	0	0	0	0	113.9	S51 E56	S51-G53 VanDerWaalsContact C-N 3.28Å; S51-G53 PolarHBondContact O-N 3.06Å; G53-E56 WeakPolarHBondContact CA-OE1 3.37Å; G53-E56 PolarHBondContact N-OE1 2.94Å
54	R	93	Very high	95.4	Very high	82 Å²	82	59.1 Å²	59.1	31%	0.309	30%	0.296	S	S	.	.	S	Bend	trans	-129.4	127.4	-176.5	-62.7	-176.7	62.1	74.3	-1.5	111	E21 N50 T52 E56 Y71	E21-R54 IonicContact OE1-CZ 3.21Å; E21-R54 IonicContact OE1-NE 2.66Å; E21-R54 PolarHBondContact OE1-NE 2.82Å; E21-R54 IonicContact OE1-NH2 2.99Å; E21-R54 PolarHBondContact OE1-NH2 2.82Å; E21-R54 IonicContact OE2-NH2 3.19Å; E21-R54 PolarHBondContact OE2-NH2 2.9Å; N50-R54 PolarHBondContact ND2-O 2.98Å; T52-R54 PolarHBondContact O-N 3.46Å; T52-R54 PolarHBondContact OG1-N 3.01Å; T52-R54 PolarHBondContact OG1-O 3.16Å; R54-E56 PolarHBondContact O-N 2.96Å; R54-E56 VanDerWaalsContact O-N 3.1Å; R54-Y71 HydrophobicContact CB-CE1 4.33Å; R54-Y71 WeakPolarHBondContact O-CE1 3.38Å
55	Y	94.3	Very high	95.3	Very high	38 Å²	38	59.7 Å²	59.7	15%	0.149	30%	0.301	C	S	.	.	S	Bend	trans	52.4	27.5	177.5	-40.8	-77.7	0	0	0	115.3	L8 Q14 E21 F23 N57 E58 F59 Y71	L8-Y55 HydrophobicContact CD1-CD1 3.8Å; L8-Y55 HydrophobicContact CD1-CE1 4.29Å; Q14-Y55 PolarHBondContact NE2-OH 2.92Å; E21-Y55 WeakPolarHBondContact OE2-CE2 3.16Å; E21-Y55 PolarHBondContact OE2-OH 3.03Å; F23-Y55 AromaticContact CE1-CD2 3.73Å; F23-Y55 HydrophobicContact CE1-CD2 3.73Å; F23-Y55 HydrophobicContact CE1-CE1 4.43Å; F23-Y55 AromaticContact CE1-CE2 3.58Å; F23-Y55 HydrophobicContact CE1-CE2 3.58Å; F23-Y55 HydrophobicContact CE1-CG 4.22Å; F23-Y55 AromaticContact CE1-CZ 3.95Å; F23-Y55 HydrophobicContact CZ-CD2 4.26Å; F23-Y55 AromaticContact CZ-CE2 3.64Å; F23-Y55 HydrophobicContact CZ-CE2 3.64Å; F23-Y55 AromaticContact CZ-CZ 3.87Å; Y55-N57 PolarHBondContact O-N 3.06Å; Y55-E58 WeakPolarHBondContact CA-OE2 3.36Å; Y55-E58 PolarHBondContact O-N 3.46Å; Y55-F59 HydrophobicContact CG-CD2 4.35Å; Y55-F59 CarbonylContact O-C 3.57Å; Y55-F59 WeakPolarHBondContact O-CA 3.24Å; Y55-F59 PolarHBondContact O-N 3.16Å; Y55-Y71 HydrophobicContact CD2-CD1 4.29Å; Y55-Y71 HydrophobicContact CD2-CD2 4.06Å; Y55-Y71 HydrophobicContact CD2-CE1 4.21Å; Y55-Y71 AromaticContact CD2-CE2 3.98Å; Y55-Y71 HydrophobicContact CD2-CE2 3.98Å; Y55-Y71 HydrophobicContact CD2-CG 4.22Å; Y55-Y71 HydrophobicContact CE2-CD2 4.35Å; Y55-Y71 HydrophobicContact CE2-CE2 4.12Å
56	E	95.1	Very high	95	Very high	82 Å²	82	56.3 Å²	56.3	38%	0.383	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33	-173	-62.5	-176.6	168.4	0	0	112.8	S51 T52 G53 R54 P60	S51-E56 VanDerWaalsContact CA-OE1 3.3Å; S51-E56 WeakPolarHBondContact CA-OE1 3.34Å; T52-E56 PolarHBondContact N-OE1 2.67Å; G53-E56 WeakPolarHBondContact CA-OE1 3.37Å; G53-E56 PolarHBondContact N-OE1 2.94Å; R54-E56 PolarHBondContact O-N 2.96Å; R54-E56 VanDerWaalsContact O-N 3.1Å; E56-P60 WeakPolarHBondContact O-CA 3.3Å
57	N	93.8	Very high	94.8	Very high	146 Å²	146	54.8 Å²	54.8	78%	0.781	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-39.6	178.8	-65.2	-31.8	0	0	0	111.8	Y55	Y55-N57 PolarHBondContact O-N 3.06Å
58	E	95.3	Very high	94.7	Very high	71 Å²	71	56.4 Å²	56.4	33%	0.332	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-26	-173.2	-57.2	87.4	175.1	0	0	113.2	L8 Y55 R73	L8-E58 HydrophobicContact CD1-CB 3.99Å; L8-E58 HydrophobicContact CD1-CG 3.66Å; L8-E58 HydrophobicContact CD2-CB 3.53Å; L8-E58 HydrophobicContact CD2-CG 3.71Å; L8-E58 HydrophobicContact CG-CB 4.37Å; L8-E58 HydrophobicContact CG-CG 4.18Å; Y55-E58 WeakPolarHBondContact CA-OE2 3.36Å; Y55-E58 PolarHBondContact O-N 3.46Å; E58-R73 WeakPolarHBondContact O-CB 3.41Å
59	F	96.8	Very high	94.6	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	31%	0.307	C	S	.	.			trans	-131.6	83.5	176.3	-63.5	-93.7	0	0	0	109	L8 Y10 F23 N50 Y55 Y61 Y71 I72 R73	L8-F59 HydrophobicContact CD2-CE2 3.86Å; Y10-F59 HydrophobicContact CD1-CE2 4.1Å; Y10-F59 HydrophobicContact CD1-CZ 4.13Å; Y10-F59 HydrophobicContact CE1-CE2 4.04Å; Y10-F59 AromaticContact CE1-CZ 3.71Å; Y10-F59 HydrophobicContact CE1-CZ 3.71Å; Y10-F59 AromaticContact CZ-CZ 3.93Å; F23-F59 HydrophobicContact CB-CE1 3.83Å; F23-F59 HydrophobicContact CB-CZ 3.89Å; F23-F59 HydrophobicContact CD1-CD1 4.31Å; F23-F59 HydrophobicContact CD1-CD2 4.11Å; F23-F59 AromaticContact CD1-CE1 3.85Å; F23-F59 HydrophobicContact CD1-CE1 3.85Å; F23-F59 AromaticContact CD1-CE2 3.58Å; F23-F59 HydrophobicContact CD1-CE2 3.58Å; F23-F59 HydrophobicContact CD1-CG 4.44Å; F23-F59 AromaticContact CD1-CZ 3.46Å; F23-F59 HydrophobicContact CD1-CZ 3.46Å; F23-F59 VanDerWaalsContact CD1-CZ 3.46Å; F23-F59 HydrophobicContact CE1-CE2 4.13Å; F23-F59 HydrophobicContact CE1-CZ 4.42Å; F23-F59 HydrophobicContact CG-CE1 4.34Å; F23-F59 HydrophobicContact CG-CZ 4.07Å; N50-F59 WeakPolarHBondContact CB-O 3.29Å; N50-F59 PolarHBondContact ND2-O 3.47Å; Y55-F59 HydrophobicContact CG-CD2 4.35Å; Y55-F59 CarbonylContact O-C 3.57Å; Y55-F59 WeakPolarHBondContact O-CA 3.24Å; Y55-F59 PolarHBondContact O-N 3.16Å; F59-Y61 PolarHBondContact O-N 2.96Å; F59-Y71 HydrophobicContact CB-CD1 4.5Å; F59-I72 CarbonylContact C-O 3.49Å; F59-I72 VanDerWaalsContact C-O 3.3Å; F59-I72 WeakPolarHBondContact CA-O 3.04Å; F59-R73 HydrophobicContact CD1-CB 4.14Å; F59-R73 HydrophobicContact CD1-CG 3.76Å; F59-R73 HydrophobicContact CE1-CG 3.76Å
60	P	96.6	Very high	94.6	Very high	41 Å²	41	47.2 Å²	47.2	27%	0.266	28%	0.283	S	S	.	.			trans	-67.5	-7.1	-173.2	-22.1	34.6	0	0	0	115	N50 E56	N50-P60 PolarHBondContact N-O 3.36Å; E56-P60 WeakPolarHBondContact O-CA 3.3Å
61	Y	97.8	Very high	94.6	Very high	21 Å²	21	46.5 Å²	46.5	8%	0.082	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.9	-179.2	-54.2	-82.9	0	0	0	110.9	R48 F59 I72 P78 L129	R48-Y61 CarbonylContact O-C 3.47Å; R48-Y61 WeakPolarHBondContact O-CA 3.3Å; R48-Y61 WeakPolarHBondContact O-CB 3.22Å; F59-Y61 PolarHBondContact O-N 2.96Å; Y61-I72 PolarHBondContact N-O 2.88Å; Y61-I72 VanDerWaalsContact N-O 3.16Å; Y61-I72 PolarHBondContact O-N 2.86Å; Y61-P78 HydrophobicContact CD1-CB 4.37Å; Y61-P78 HydrophobicContact CD1-CG 4.18Å; Y61-P78 HydrophobicContact CD2-CB 4.16Å; Y61-P78 HydrophobicContact CD2-CG 4.43Å; Y61-P78 HydrophobicContact CE1-CB 4.34Å; Y61-P78 HydrophobicContact CE1-CG 3.7Å; Y61-P78 HydrophobicContact CE2-CB 4.13Å; Y61-P78 HydrophobicContact CE2-CG 3.98Å; Y61-P78 HydrophobicContact CG-CB 4.28Å; Y61-L129 HydrophobicContact CD1-CD2 3.72Å; Y61-L129 HydrophobicContact CE1-CD2 3.97Å
62	V	97.4	Very high	94.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.5	179.1	75.5	0	0	0	0	110.3	R48 N50 T52 L64 N70 Y71	R48-V62 HydrophobicContact CG-CG1 3.92Å; R48-V62 WeakPolarHBondContact CG-O 3.33Å; R48-V62 PolarHBondContact N-O 2.76Å; R48-V62 PolarHBondContact O-N 3.38Å; N50-V62 HydrophobicContact CB-CB 4.17Å; N50-V62 HydrophobicContact CB-CG1 4.44Å; T52-V62 HydrophobicContact CG2-CG1 4.19Å; T52-V62 HydrophobicContact CG2-CG2 4.27Å; V62-L64 HydrophobicContact CB-CD2 4.42Å; V62-L64 HydrophobicContact CG1-CD2 4.06Å; V62-L64 HydrophobicContact CG1-CG 4.41Å; V62-L64 HydrophobicContact CG2-CD2 3.5Å; V62-L64 VanDerWaalsContact CG2-CD2 3.5Å; V62-N70 CarbonylContact C-O 3.58Å; V62-N70 VanDerWaalsContact CA-O 3.27Å; V62-N70 WeakPolarHBondContact CA-O 3.38Å; V62-N70 WeakPolarHBondContact CG2-O 2.98Å; V62-Y71 HydrophobicContact CG2-CD1 3.95Å; V62-Y71 HydrophobicContact CG2-CE1 4.02Å
63	S	96.7	Very high	94.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.9	168	-175.2	0	0	0	0	109.2	F43 N70 I72	F43-S63 WeakPolarHBondContact CA-OG 3.23Å; F43-S63 WeakPolarHBondContact O-CB 3.45Å; F43-S63 PolarHBondContact O-OG 3.21Å; S63-N70 PolarHBondContact N-O 3.25Å; S63-N70 WeakPolarHBondContact O-CB 3.39Å; S63-N70 PolarHBondContact O-N 2.96Å; S63-N70 PolarHBondContact O-ND2 3.27Å; S63-I72 VanDerWaalsContact N-CD1 3.34Å
64	L	94.7	Very high	94.9	Very high	46 Å²	46	43.3 Å²	43.3	24%	0.241	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.3	-176	-48.9	-175	0	0	0	109.9	R46 T52 V62 H69	R46-L64 WeakPolarHBondContact CD-O 3.49Å; T52-L64 HydrophobicContact CG2-CD2 4.36Å; V62-L64 HydrophobicContact CB-CD2 4.42Å; V62-L64 HydrophobicContact CG1-CD2 4.06Å; V62-L64 HydrophobicContact CG1-CG 4.41Å; V62-L64 HydrophobicContact CG2-CD2 3.5Å; V62-L64 VanDerWaalsContact CG2-CD2 3.5Å; L64-H69 HydrophobicContact CD2-CB 4.35Å
65	C	91.1	Very high	94.8	Very high	20 Å²	20	43.3 Å²	43.3	14%	0.135	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	90.1	-174.5	-73.9	0	0	0	0	110.6	T67 E68	C65-T67 PolarHBondContact O-N 3.44Å; C65-T67 VanDerWaalsContact O-N 3.16Å; C65-E68 PolarHBondContact N-O 3.1Å; C65-E68 WeakPolarHBondContact O-CB 3.46Å; C65-E68 PolarHBondContact O-N 3.02Å
66	G	88.4	Confident	94.8	Very high	72 Å²	72	42.8 Å²	42.8	74%	0.742	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	-117.2	-179.3	0	0	0	0	0	111.1	E68	G66-E68 VanDerWaalsContact C-N 3.27Å
67	T	91.6	Very high	94.8	Very high	77 Å²	77	41.3 Å²	41.3	47%	0.472	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	10.7	177.2	55.6	0	0	0	0	113.4	F19 R20 C65	F19-T67 CarbonylContact C-O 3.53Å; F19-T67 VanDerWaalsContact CA-O 3.28Å; F19-T67 WeakPolarHBondContact CA-O 3.43Å; R20-T67 PolarHBondContact N-O 2.66Å; C65-T67 PolarHBondContact O-N 3.44Å; C65-T67 VanDerWaalsContact O-N 3.16Å
68	E	93.6	Very high	94.9	Very high	42 Å²	42	34.4 Å²	34.4	20%	0.196	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.2	-174.2	-52.1	-172.1	153.9	0	0	111.2	R20 Y22 C65 G66	R20-E68 HydrophobicContact CB-CG 4.35Å; R20-E68 IonicContact CZ-OE1 3.76Å; R20-E68 IonicContact NE-OE1 3.1Å; R20-E68 PolarHBondContact NE-OE1 2.8Å; R20-E68 VanDerWaalsContact NE-OE1 3.1Å; R20-E68 IonicContact NH2-OE1 2.65Å; R20-E68 PolarHBondContact NH2-OE1 2.79Å; R20-E68 CarbonylContact O-C 3.59Å; R20-E68 WeakPolarHBondContact O-CA 3.4Å; Y22-E68 HydrophobicContact CD2-CB 4.38Å; Y22-E68 HydrophobicContact CE2-CB 4.37Å; Y22-E68 HydrophobicContact CE2-CG 4.2Å; C65-E68 PolarHBondContact N-O 3.1Å; C65-E68 WeakPolarHBondContact O-CB 3.46Å; C65-E68 PolarHBondContact O-N 3.02Å; G66-E68 VanDerWaalsContact C-N 3.27Å
69	H	95.4	Very high	95	Very high	27 Å²	27	31.4 Å²	31.4	13%	0.125	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.1	170.5	-70.7	-172.7	0	0	0	108.2	F19 R20 E21 Y22 L64 Y71	F19-H69 AromaticContact CD1-NE2 3.82Å; F19-H69 AromaticContact CD2-CE1 3.72Å; F19-H69 AromaticContact CD2-NE2 3.89Å; F19-H69 AromaticContact CG-CE1 3.85Å; F19-H69 AromaticContact CG-NE2 3.66Å; R20-H69 PolarHBondContact O-N 3.26Å; E21-H69 WeakPolarHBondContact CA-O 3.43Å; Y22-H69 PolarHBondContact N-O 2.84Å; L64-H69 HydrophobicContact CD2-CB 4.35Å; H69-Y71 HydrophobicContact CB-CD2 4.44Å; H69-Y71 HydrophobicContact CB-CE2 3.77Å; H69-Y71 PolarHBondContact ND1-OH 3.11Å
70	N	96.1	Very high	95	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.5	173.9	-53	-64.6	0	0	0	106.9	Y22 Y24 F43 V62 S63 I72	Y22-N70 CarbonylContact O-C 3.53Å; Y24-N70 HydrophobicContact CD2-CB 3.9Å; Y24-N70 HydrophobicContact CE2-CB 3.67Å; Y24-N70 WeakPolarHBondContact CE2-OD1 3.38Å; F43-N70 HydrophobicContact CD2-CB 4.15Å; F43-N70 HydrophobicContact CE2-CB 3.9Å; V62-N70 CarbonylContact C-O 3.58Å; V62-N70 VanDerWaalsContact CA-O 3.27Å; V62-N70 WeakPolarHBondContact CA-O 3.38Å; V62-N70 WeakPolarHBondContact CG2-O 2.98Å; S63-N70 PolarHBondContact N-O 3.25Å; S63-N70 WeakPolarHBondContact O-CB 3.39Å; S63-N70 PolarHBondContact O-N 2.96Å; S63-N70 PolarHBondContact O-ND2 3.27Å; N70-I72 HydrophobicContact CB-CD1 4.4Å; N70-I72 WeakPolarHBondContact O-CD1 3.26Å
71	Y	97.1	Very high	95.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.2	175.7	-68.5	-73.8	0	0	0	109.9	E21 Y22 F23 Y24 T52 R54 Y55 F59 V62 H69	E21-Y71 HydrophobicContact CB-CD2 4.3Å; E21-Y71 HydrophobicContact CB-CE2 4.06Å; E21-Y71 HydrophobicContact CG-CE2 3.93Å; Y22-Y71 PolarHBondContact O-N 3.45Å; F23-Y71 CarbonylContact C-O 3.47Å; F23-Y71 WeakPolarHBondContact CA-O 3.28Å; F23-Y71 HydrophobicContact CD1-CD2 4.21Å; F23-Y71 HydrophobicContact CD1-CG 4.34Å; F23-Y71 AromaticContact CE1-CD2 3.7Å; F23-Y71 HydrophobicContact CE1-CD2 3.7Å; F23-Y71 HydrophobicContact CE1-CG 4.12Å; F23-Y71 HydrophobicContact CZ-CD2 4.06Å; Y24-Y71 PolarHBondContact N-O 3.49Å; T52-Y71 HydrophobicContact CG2-CE1 4.4Å; T52-Y71 WeakPolarHBondContact OG1-CE1 3.25Å; T52-Y71 PolarHBondContact OG1-OH 3.06Å; R54-Y71 HydrophobicContact CB-CE1 4.33Å; R54-Y71 WeakPolarHBondContact O-CE1 3.38Å; Y55-Y71 HydrophobicContact CD2-CD1 4.29Å; Y55-Y71 HydrophobicContact CD2-CD2 4.06Å; Y55-Y71 HydrophobicContact CD2-CE1 4.21Å; Y55-Y71 AromaticContact CD2-CE2 3.98Å; Y55-Y71 HydrophobicContact CD2-CE2 3.98Å; Y55-Y71 HydrophobicContact CD2-CG 4.22Å; Y55-Y71 HydrophobicContact CE2-CD2 4.35Å; Y55-Y71 HydrophobicContact CE2-CE2 4.12Å; F59-Y71 HydrophobicContact CB-CD1 4.5Å; V62-Y71 HydrophobicContact CG2-CD1 3.95Å; V62-Y71 HydrophobicContact CG2-CE1 4.02Å; H69-Y71 HydrophobicContact CB-CD2 4.44Å; H69-Y71 HydrophobicContact CB-CE2 3.77Å; H69-Y71 PolarHBondContact ND1-OH 3.11Å
72	I	96.8	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.9	-170.4	-57.5	88.7	0	0	0	110.2	I26 F43 L47 F59 Y61 S63 N70	I26-I72 HydrophobicContact CD1-CG2 3.64Å; I26-I72 HydrophobicContact CG1-CG2 3.9Å; F43-I72 HydrophobicContact CE1-CG1 4.26Å; F43-I72 HydrophobicContact CE2-CD1 3.99Å; F43-I72 HydrophobicContact CE2-CG1 3.83Å; F43-I72 HydrophobicContact CZ-CD1 3.9Å; F43-I72 HydrophobicContact CZ-CG1 3.34Å; L47-I72 HydrophobicContact CD1-CB 4.28Å; L47-I72 HydrophobicContact CD1-CD1 3.56Å; L47-I72 HydrophobicContact CD1-CG1 3.9Å; F59-I72 CarbonylContact C-O 3.49Å; F59-I72 VanDerWaalsContact C-O 3.3Å; F59-I72 WeakPolarHBondContact CA-O 3.04Å; Y61-I72 PolarHBondContact N-O 2.88Å; Y61-I72 VanDerWaalsContact N-O 3.16Å; Y61-I72 PolarHBondContact O-N 2.86Å; S63-I72 VanDerWaalsContact N-CD1 3.34Å; N70-I72 HydrophobicContact CB-CD1 4.4Å; N70-I72 WeakPolarHBondContact O-CD1 3.26Å
73	R	96.1	Very high	95	Very high	113 Å²	113	32 Å²	32	43%	0.426	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	162.4	158.4	53	168.9	-164.5	164	4.6	109.3	Y24 F25 I26 E58 F59	Y24-R73 PolarHBondContact O-N 3.1Å; Y24-R73 VanDerWaalsContact O-N 3.12Å; F25-R73 VanDerWaalsContact CA-O 3.3Å; F25-R73 WeakPolarHBondContact CA-O 3.44Å; F25-R73 HydrophobicContact CD2-CG 4.03Å; I26-R73 PolarHBondContact N-O 3.35Å; E58-R73 WeakPolarHBondContact O-CB 3.41Å; F59-R73 HydrophobicContact CD1-CB 4.14Å; F59-R73 HydrophobicContact CD1-CG 3.76Å; F59-R73 HydrophobicContact CE1-CG 3.76Å
74	C	94.7	Very high	94.9	Very high	30 Å²	30	33.3 Å²	33.3	20%	0.203	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.5	-176.6	55.4	0	0	0	0	110.9	I26 R77	I26-C74 HydrophobicContact CB-CB 4.01Å; I26-C74 VanDerWaalsContact O-CA 3.24Å; I26-C74 WeakPolarHBondContact O-CA 3.46Å; C74-R77 VanDerWaalsContact SG-C 3.58Å
75	D	91.1	Very high	94.9	Very high	82 Å²	82	34.1 Å²	34.1	44%	0.439	20%	0.201	S	C	.	.	S	Bend	trans	-66.1	-41.4	176.2	-168.1	57.1	0	0	0	112.4	F25 I26 R120	F25-D75 HydrophobicContact CZ-CB 3.79Å; I26-D75 PolarHBondContact O-N 2.74Å; D75-R120 IonicContact OD2-NH2 3.56Å
76	D	94	Very high	95	Very high	26 Å²	26	38.9 Å²	38.9	14%	0.139	22%	0.221	C	C	.	.	S	Bend	trans	-138	-64.9	-176.5	-169.7	-17	0	0	0	112	R120 Y122 L134	D76-R120 WeakPolarHBondContact OD2-CD 3.01Å; D76-R120 IonicContact OD2-CZ 2.82Å; D76-R120 IonicContact OD2-NH1 3.95Å; D76-R120 PolarHBondContact OD2-NH1 3Å; D76-Y122 PolarHBondContact OD2-OH 2.73Å; D76-L134 HydrophobicContact CB-CD2 4.25Å
77	R	95.4	Very high	95.1	Very high	52 Å²	52	36.7 Å²	36.7	20%	0.196	20%	0.196	C	C	.	.			trans	-132.8	148.2	178.2	-64.6	-63	179.4	-77.5	-11.3	110.5	C74 I79 Y122 L134	C74-R77 VanDerWaalsContact SG-C 3.58Å; R77-I79 VanDerWaalsContact C-N 3.28Å; R77-I79 PolarHBondContact O-N 2.89Å; R77-Y122 HydrophobicContact CG-CE1 4.27Å; R77-L134 HydrophobicContact CB-CB 4.32Å
78	P	96.1	Very high	95	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.217	C	C	.	.	S	Bend	trans	-70.7	-25.3	-179.1	29.9	-37.9	0	0	0	112.7	I26 L47 Y61 L129	I26-P78 WeakPolarHBondContact CD1-O 3.44Å; L47-P78 HydrophobicContact CD2-CB 3.87Å; Y61-P78 HydrophobicContact CD1-CB 4.37Å; Y61-P78 HydrophobicContact CD1-CG 4.18Å; Y61-P78 HydrophobicContact CD2-CB 4.16Å; Y61-P78 HydrophobicContact CD2-CG 4.43Å; Y61-P78 HydrophobicContact CE1-CB 4.34Å; Y61-P78 HydrophobicContact CE1-CG 3.7Å; Y61-P78 HydrophobicContact CE2-CB 4.13Å; Y61-P78 HydrophobicContact CE2-CG 3.98Å; Y61-P78 HydrophobicContact CG-CB 4.28Å; P78-L129 HydrophobicContact CG-CB 4.09Å; P78-L129 HydrophobicContact CG-CD2 4.4Å
79	I	97.5	Very high	94.9	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.041	24%	0.236	C	C	.	.			trans	-101.2	121.2	173.9	-57.9	-56.7	0	0	0	108.4	F44 L47 R77 Y81 Y96 A125 L129 G133 L134	F44-I79 HydrophobicContact CD1-CD1 4.13Å; L47-I79 HydrophobicContact CD2-CD1 4.27Å; R77-I79 VanDerWaalsContact C-N 3.28Å; R77-I79 PolarHBondContact O-N 2.89Å; I79-Y81 HydrophobicContact CG2-CD1 4.48Å; I79-Y81 HydrophobicContact CG2-CD2 4.4Å; I79-Y81 HydrophobicContact CG2-CE1 3.95Å; I79-Y81 HydrophobicContact CG2-CE2 3.88Å; I79-Y96 HydrophobicContact CD1-CD2 4.02Å; I79-Y96 HydrophobicContact CD1-CE2 4.03Å; I79-Y96 HydrophobicContact CG2-CD2 4.21Å; I79-Y96 HydrophobicContact CG2-CG 4.18Å; I79-A125 HydrophobicContact CB-CB 4.33Å; I79-A125 HydrophobicContact CG1-CB 4.34Å; I79-L129 HydrophobicContact CD1-CD1 3.7Å; I79-L129 HydrophobicContact CG1-CD1 3.68Å; I79-G133 CarbonylContact O-C 3.53Å; I79-G133 VanDerWaalsContact O-CA 3.25Å; I79-G133 WeakPolarHBondContact O-CA 3.33Å; I79-L134 PolarHBondContact O-N 3.42Å
80	V	97.5	Very high	94.6	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.2	172.9	-173.4	0	0	0	0	108.6	I26 T82 Y96 L134	I26-V80 HydrophobicContact CG2-CG2 4.25Å; V80-T82 HydrophobicContact CG1-CG2 4.4Å; V80-Y96 WeakPolarHBondContact O-CA 3.33Å; V80-Y96 VanDerWaalsContact O-CB 3.27Å; V80-Y96 WeakPolarHBondContact O-CB 3.43Å; V80-L134 CarbonylContact C-O 3.5Å; V80-L134 VanDerWaalsContact CA-O 3.26Å; V80-L134 WeakPolarHBondContact CA-O 3.5Å; V80-L134 HydrophobicContact CG1-CB 4.48Å; V80-L134 HydrophobicContact CG1-CD2 4.41Å; V80-L134 HydrophobicContact CG1-CG 4.48Å; V80-L134 HydrophobicContact CG2-CB 4.32Å; V80-L134 HydrophobicContact CG2-CD2 4.4Å
81	Y	97.9	Very high	94.4	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.7	175	-59	-75.2	0	0	0	109.6	I79 L94 S95 Y96 V105 Y123 P124 L134 I135 S136	I79-Y81 HydrophobicContact CG2-CD1 4.48Å; I79-Y81 HydrophobicContact CG2-CD2 4.4Å; I79-Y81 HydrophobicContact CG2-CE1 3.95Å; I79-Y81 HydrophobicContact CG2-CE2 3.88Å; Y81-L94 HydrophobicContact CD1-CB 3.59Å; Y81-L94 HydrophobicContact CD1-CD1 4.2Å; Y81-L94 HydrophobicContact CD1-CG 4.5Å; Y81-L94 HydrophobicContact CD2-CD1 4.43Å; Y81-L94 HydrophobicContact CE1-CB 4.2Å; Y81-L94 HydrophobicContact CG-CB 4.13Å; Y81-L94 HydrophobicContact CG-CD1 4.06Å; Y81-S95 CarbonylContact C-O 3.53Å; Y81-S95 VanDerWaalsContact CA-O 3.28Å; Y81-S95 WeakPolarHBondContact CA-O 3.27Å; Y81-Y96 HydrophobicContact CD1-CD1 4.31Å; Y81-Y96 HydrophobicContact CE1-CD1 4.02Å; Y81-Y96 HydrophobicContact CE1-CG 4.42Å; Y81-V105 HydrophobicContact CD1-CG2 4.28Å; Y81-V105 HydrophobicContact CE1-CG1 4.42Å; Y81-V105 HydrophobicContact CE1-CG2 3.47Å; Y81-V105 VanDerWaalsContact CE1-CG2 3.47Å; Y81-Y123 HydrophobicContact CD2-CD1 4.49Å; Y81-Y123 AromaticContact CE2-CD1 3.93Å; Y81-Y123 HydrophobicContact CE2-CD1 3.93Å; Y81-Y123 HydrophobicContact CE2-CG 4.39Å; Y81-P124 PolarHBondContact OH-O 3.41Å; Y81-L134 PolarHBondContact N-O 3.3Å; Y81-I135 HydrophobicContact CD2-CD1 3.87Å; Y81-I135 HydrophobicContact CG-CD1 4.13Å; Y81-S136 WeakPolarHBondContact O-CB 3.23Å; Y81-S136 PolarHBondContact O-N 3.14Å
82	T	96.3	Very high	94.4	Very high	28 Å²	28	49.1 Å²	49.1	17%	0.172	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-25.4	-165	48.5	0	0	0	0	113.7	H29 V80 S95	H29-T82 VanDerWaalsContact O-CG2 3.29Å; H29-T82 WeakPolarHBondContact O-CG2 3.3Å; V80-T82 HydrophobicContact CG1-CG2 4.4Å; T82-S95 PolarHBondContact N-O 3.48Å; T82-S95 PolarHBondContact OG1-O 3.26Å
83	A	96.1	Very high	94.4	Very high	41 Å²	41	50 Å²	50	34%	0.339	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	155.9	174.6	0	0	0	0	0	111.8	S95	A83-S95 WeakPolarHBondContact CB-OG 3.24Å; A83-S95 PolarHBondContact N-OG 3.41Å; A83-S95 PolarHBondContact O-N 3.14Å; A83-S95 PolarHBondContact O-OG 3.14Å
84	V	96	Very high	94.5	Very high	27 Å²	27	44.6 Å²	44.6	16%	0.164	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133	166.7	176	0	0	0	0	108.4	D92 A93 L94 L139 W161	V84-D92 HydrophobicContact CG1-CB 4.21Å; V84-A93 CarbonylContact C-O 3.3Å; V84-A93 WeakPolarHBondContact CA-O 3.39Å; V84-L94 HydrophobicContact CG2-CD2 3.55Å; V84-L139 HydrophobicContact CG2-CD1 3.96Å; V84-L139 HydrophobicContact CG2-CD2 4.43Å; V84-W161 HydrophobicContact CG1-CH2 4.22Å; V84-W161 HydrophobicContact CG1-CZ2 3.93Å; V84-W161 HydrophobicContact CG2-CH2 4.04Å; V84-W161 HydrophobicContact CG2-CZ2 4.49Å
85	T	93.7	Very high	94.5	Very high	64 Å²	64	43.5 Å²	43.5	39%	0.393	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.9	167.6	-54.2	0	0	0	0	108.3	D92 A93	T85-D92 WeakPolarHBondContact O-CA 3.32Å; T85-A93 PolarHBondContact N-O 3.45Å; T85-A93 PolarHBondContact O-N 2.95Å
86	H	93.2	Very high	94.8	Very high	120 Å²	120	41.3 Å²	41.3	56%	0.556	24%	0.242	S	C	*	.	P	Polyproline II helix	trans	-93.9	124.3	179.8	-63.3	-69.9	0	0	0	111.8	D92 W161	H86-D92 WeakPolarHBondContact CA-OD1 3.22Å; H86-D92 IonicContact CE1-OD2 2.86Å; H86-D92 IonicContact CG-OD1 2.93Å; H86-D92 IonicContact ND1-OD1 2.74Å; H86-D92 PolarHBondContact ND1-OD1 3.19Å; H86-D92 VanDerWaalsContact ND1-OD1 3.17Å; H86-D92 IonicContact ND1-OD2 3.76Å; H86-D92 PolarHBondContact ND1-OD2 3.07Å; H86-W161 AromaticContact CE1-CZ2 3.83Å
87	A	90.4	Very high	94.7	Very high	26 Å²	26	40.1 Å²	40.1	22%	0.215	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-96.8	143	174.7	0	0	0	0	0	111	D89 G90 N91 D92 R162	A87-D89 WeakPolarHBondContact CB-OD1 3.45Å; A87-D89 PolarHBondContact O-N 3.36Å; A87-G90 PolarHBondContact O-N 3.32Å; A87-G90 VanDerWaalsContact O-N 3.16Å; A87-N91 HydrophobicContact CB-CB 4.48Å; A87-N91 VanDerWaalsContact CB-O 3.22Å; A87-N91 WeakPolarHBondContact CB-O 3.43Å; A87-D92 PolarHBondContact N-OD1 3.23Å; A87-R162 PolarHBondContact O-NH2 2.86Å
88	P	90	Very high	94.3	Very high	141 Å²	141	41.1 Å²	41.1	92%	0.916	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.5	179.6	-25.4	34.6	0	0	0	114.1	G90	P88-G90 VanDerWaalsContact C-N 3.29Å; P88-G90 PolarHBondContact O-N 3.07Å
89	D	90.7	Very high	93.7	Very high	113 Å²	113	41.3 Å²	41.3	60%	0.604	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.3	-178.8	64.8	-5.7	0	0	0	114	A87 N91	A87-D89 WeakPolarHBondContact CB-OD1 3.45Å; A87-D89 PolarHBondContact O-N 3.36Å; D89-N91 WeakPolarHBondContact OD1-CB 3.32Å; D89-N91 PolarHBondContact OD1-N 2.8Å; D89-N91 PolarHBondContact OD2-ND2 2.87Å
90	G	90.2	Very high	93	Very high	31 Å²	31	42.8 Å²	42.8	32%	0.32	26%	0.263	S	S	.	.	S	Bend	trans	99.5	-11.2	-175.3	0	0	0	0	0	115.6	A87 P88 D92	A87-G90 PolarHBondContact O-N 3.32Å; A87-G90 VanDerWaalsContact O-N 3.16Å; P88-G90 VanDerWaalsContact C-N 3.29Å; P88-G90 PolarHBondContact O-N 3.07Å; G90-D92 VanDerWaalsContact C-N 3.27Å; G90-D92 PolarHBondContact O-N 2.85Å
91	N	92.3	Very high	92.5	Very high	117 Å²	117	47.4 Å²	47.4	63%	0.626	30%	0.296	S	S	*	.			trans	-84.8	70.7	-175.7	-64.1	-41.1	0	0	0	110.9	A87 D89	A87-N91 HydrophobicContact CB-CB 4.48Å; A87-N91 VanDerWaalsContact CB-O 3.22Å; A87-N91 WeakPolarHBondContact CB-O 3.43Å; D89-N91 WeakPolarHBondContact OD1-CB 3.32Å; D89-N91 PolarHBondContact OD1-N 2.8Å; D89-N91 PolarHBondContact OD2-ND2 2.87Å
92	D	96.1	Very high	92.2	Very high	5 Å²	5	52 Å²	52	3%	0.027	32%	0.316	C	S	.	.			trans	-59.6	153.5	175.7	-66.8	-24.4	0	0	0	111.4	V84 T85 H86 A87 G90 F107 W161 R162	V84-D92 HydrophobicContact CG1-CB 4.21Å; T85-D92 WeakPolarHBondContact O-CA 3.32Å; H86-D92 WeakPolarHBondContact CA-OD1 3.22Å; H86-D92 IonicContact CE1-OD2 2.86Å; H86-D92 IonicContact CG-OD1 2.93Å; H86-D92 IonicContact ND1-OD1 2.74Å; H86-D92 PolarHBondContact ND1-OD1 3.19Å; H86-D92 VanDerWaalsContact ND1-OD1 3.17Å; H86-D92 IonicContact ND1-OD2 3.76Å; H86-D92 PolarHBondContact ND1-OD2 3.07Å; A87-D92 PolarHBondContact N-OD1 3.23Å; G90-D92 VanDerWaalsContact C-N 3.27Å; G90-D92 PolarHBondContact O-N 2.85Å; D92-F107 HydrophobicContact CB-CB 4.27Å; D92-F107 HydrophobicContact CB-CD1 4.19Å; D92-F107 WeakPolarHBondContact O-CB 3.49Å; D92-F107 PolarHBondContact O-N 2.81Å; D92-W161 PolarHBondContact OD2-NE1 2.96Å; D92-R162 IonicContact OD1-CZ 3.92Å; D92-R162 IonicContact OD1-NE 3.28Å; D92-R162 IonicContact OD1-NH2 2.78Å; D92-R162 PolarHBondContact OD1-NH2 3.2Å; D92-R162 IonicContact OD2-CZ 3.65Å; D92-R162 IonicContact OD2-NE 3.17Å; D92-R162 PolarHBondContact OD2-NE 2.82Å; D92-R162 IonicContact OD2-NH2 3.48Å; D92-R162 PolarHBondContact OD2-NH2 3.41Å
93	A	97.3	Very high	92.1	Very high	17 Å²	17	50.7 Å²	50.7	14%	0.14	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	144.9	179.9	0	0	0	0	0	111.6	V84 T85 V105	V84-A93 CarbonylContact C-O 3.3Å; V84-A93 WeakPolarHBondContact CA-O 3.39Å; T85-A93 PolarHBondContact N-O 3.45Å; T85-A93 PolarHBondContact O-N 2.95Å; A93-V105 CarbonylContact C-O 3.48Å; A93-V105 VanDerWaalsContact CA-O 3.23Å; A93-V105 WeakPolarHBondContact CA-O 3.49Å; A93-V105 WeakPolarHBondContact CB-O 3.27Å
94	L	97.6	Very high	92.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	132.5	168.7	-71.2	173.9	0	0	0	109.6	Y81 V84 T104 V105 F107 Y123 I135 L139	Y81-L94 HydrophobicContact CD1-CB 3.59Å; Y81-L94 HydrophobicContact CD1-CD1 4.2Å; Y81-L94 HydrophobicContact CD1-CG 4.5Å; Y81-L94 HydrophobicContact CD2-CD1 4.43Å; Y81-L94 HydrophobicContact CE1-CB 4.2Å; Y81-L94 HydrophobicContact CG-CB 4.13Å; Y81-L94 HydrophobicContact CG-CD1 4.06Å; V84-L94 HydrophobicContact CG2-CD2 3.55Å; L94-T104 CarbonylContact O-C 3.57Å; L94-T104 WeakPolarHBondContact O-CA 3.39Å; L94-V105 HydrophobicContact CB-CG2 3.99Å; L94-V105 PolarHBondContact N-O 3.13Å; L94-V105 PolarHBondContact O-N 2.99Å; L94-F107 HydrophobicContact CD1-CD2 3.47Å; L94-F107 VanDerWaalsContact CD1-CD2 3.47Å; L94-F107 HydrophobicContact CD1-CE2 3.9Å; L94-F107 HydrophobicContact CD1-CG 4.33Å; L94-F107 HydrophobicContact CD2-CD2 4.03Å; L94-F107 HydrophobicContact CD2-CE2 4.32Å; L94-F107 HydrophobicContact CD2-CG 4.29Å; L94-F107 HydrophobicContact CG-CB 4.03Å; L94-F107 HydrophobicContact CG-CD2 3.48Å; L94-F107 VanDerWaalsContact CG-CD2 3.48Å; L94-F107 HydrophobicContact CG-CE2 4.16Å; L94-F107 HydrophobicContact CG-CG 3.85Å; L94-Y123 HydrophobicContact CD1-CD1 3.53Å; L94-Y123 HydrophobicContact CD1-CD2 3.95Å; L94-Y123 HydrophobicContact CD1-CE1 3.83Å; L94-Y123 HydrophobicContact CD1-CE2 4.21Å; L94-Y123 HydrophobicContact CD1-CG 3.6Å; L94-I135 HydrophobicContact CD1-CD1 4.07Å; L94-L139 HydrophobicContact CD2-CD2 3.89Å
95	S	96.2	Very high	92.2	Very high	7 Å²	7	52 Å²	52	5%	0.049	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	148	173.7	63.5	0	0	0	0	111.5	Y81 T82 A83 L103	Y81-S95 CarbonylContact C-O 3.53Å; Y81-S95 VanDerWaalsContact CA-O 3.28Å; Y81-S95 WeakPolarHBondContact CA-O 3.27Å; T82-S95 PolarHBondContact N-O 3.48Å; T82-S95 PolarHBondContact OG1-O 3.26Å; A83-S95 WeakPolarHBondContact CB-OG 3.24Å; A83-S95 PolarHBondContact N-OG 3.41Å; A83-S95 PolarHBondContact O-N 3.14Å; A83-S95 PolarHBondContact O-OG 3.14Å; S95-L103 VanDerWaalsContact CA-O 3.27Å; S95-L103 WeakPolarHBondContact CA-O 3.48Å
96	Y	95.7	Very high	92.3	Very high	36 Å²	36	53.8 Å²	53.8	14%	0.141	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	168.1	179.1	64.9	-81.5	0	0	0	111.6	F44 I79 V80 Y81 N98 L103 V105	F44-Y96 HydrophobicContact CB-CE2 4.04Å; F44-Y96 HydrophobicContact CD1-CD2 4.26Å; F44-Y96 HydrophobicContact CD1-CE2 4.36Å; F44-Y96 HydrophobicContact CG-CD2 4.44Å; F44-Y96 HydrophobicContact CG-CE2 4.37Å; I79-Y96 HydrophobicContact CD1-CD2 4.02Å; I79-Y96 HydrophobicContact CD1-CE2 4.03Å; I79-Y96 HydrophobicContact CG2-CD2 4.21Å; I79-Y96 HydrophobicContact CG2-CG 4.18Å; V80-Y96 WeakPolarHBondContact O-CA 3.33Å; V80-Y96 VanDerWaalsContact O-CB 3.27Å; V80-Y96 WeakPolarHBondContact O-CB 3.43Å; Y81-Y96 HydrophobicContact CD1-CD1 4.31Å; Y81-Y96 HydrophobicContact CE1-CD1 4.02Å; Y81-Y96 HydrophobicContact CE1-CG 4.42Å; Y96-N98 PolarHBondContact O-N 3.45Å; Y96-N98 VanDerWaalsContact O-N 3.1Å; Y96-L103 HydrophobicContact CD1-CB 4.15Å; Y96-L103 VanDerWaalsContact CD1-O 3.28Å; Y96-L103 WeakPolarHBondContact CD1-O 3.32Å; Y96-L103 HydrophobicContact CD2-CB 4.28Å; Y96-L103 HydrophobicContact CD2-CD1 4.39Å; Y96-L103 VanDerWaalsContact CE1-C 3.49Å; Y96-L103 HydrophobicContact CE1-CB 3.92Å; Y96-L103 HydrophobicContact CE2-CB 4.07Å; Y96-L103 HydrophobicContact CE2-CD1 4.21Å; Y96-L103 HydrophobicContact CE2-CD2 4.18Å; Y96-L103 HydrophobicContact CE2-CG 4.39Å; Y96-L103 HydrophobicContact CG-CB 4.31Å; Y96-L103 PolarHBondContact N-O 3.42Å; Y96-L103 WeakPolarHBondContact O-CB 3.42Å; Y96-V105 HydrophobicContact CE1-CG1 4.11Å
97	G	92	Very high	92.6	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.01	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	16.6	177.1	0	0	0	0	0	115	A99	G97-A99 PolarHBondContact O-N 3.13Å
98	N	87	Confident	92.9	Very high	74 Å²	74	51.1 Å²	51.1	40%	0.396	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	25.6	179.4	-65.5	-57.7	0	0	0	114.6	G30 Y96	G30-N98 PolarHBondContact O-ND2 3.45Å; Y96-N98 PolarHBondContact O-N 3.45Å; Y96-N98 VanDerWaalsContact O-N 3.1Å
99	A	85	Confident	93.3	Very high	5 Å²	5	44.6 Å²	44.6	4%	0.041	27%	0.266	C	S	.	.			trans	-100.2	12.5	180	0	0	0	0	0	113.6	G97 K102 L103	G97-A99 PolarHBondContact O-N 3.13Å; A99-K102 HydrophobicContact CB-CB 4.44Å; A99-K102 PolarHBondContact O-N 3.22Å; A99-L103 HydrophobicContact CB-CB 4.2Å; A99-L103 HydrophobicContact CB-CD1 3.57Å; A99-L103 HydrophobicContact CB-CG 3.78Å
100	G	82.5	Confident	93.6	Very high	38 Å²	38	41.3 Å²	41.3	39%	0.392	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	60.4	-135.6	-179.5	0	0	0	0	0	112.5	K102 L103	G100-K102 PolarHBondContact O-N 2.78Å; G100-K102 VanDerWaalsContact O-N 3.14Å; G100-L103 PolarHBondContact O-N 3.44Å
101	S	87.5	Confident	94	Very high	100 Å²	100	43.1 Å²	43.1	70%	0.699	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-68.2	-8.1	-177.1	57.5	0	0	0	0	115	L103	S101-L103 VanDerWaalsContact C-N 3.34Å
102	K	91.1	Very high	94.3	Very high	100 Å²	100	37.6 Å²	37.6	44%	0.435	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-76.4	-21.9	178.6	-64.6	-175	-179.1	179.9	0	113.2	E38 T41 A99 G100	E38-K102 IonicContact OE1-NZ 3.42Å; E38-K102 PolarHBondContact OE1-NZ 2.94Å; T41-K102 HydrophobicContact CG2-CB 4.06Å; T41-K102 HydrophobicContact CG2-CD 4.41Å; T41-K102 WeakPolarHBondContact OG1-CD 3.35Å; A99-K102 HydrophobicContact CB-CB 4.44Å; A99-K102 PolarHBondContact O-N 3.22Å; G100-K102 PolarHBondContact O-N 2.78Å; G100-K102 VanDerWaalsContact O-N 3.14Å
103	L	94.5	Very high	94.4	Very high	2 Å²	2	38 Å²	38	1%	0.01	22%	0.216	C	C	.	.	S	Bend	trans	-131.4	85	-177.8	-68.5	-179.1	0	0	0	109	T41 F44 K45 S95 Y96 A99 G100 S101	T41-L103 HydrophobicContact CG2-CD2 4.32Å; F44-L103 HydrophobicContact CB-CD1 3.61Å; F44-L103 HydrophobicContact CB-CD2 4.22Å; F44-L103 HydrophobicContact CD2-CD1 3.79Å; F44-L103 HydrophobicContact CG-CD1 3.95Å; K45-L103 HydrophobicContact CG-CD2 3.98Å; S95-L103 VanDerWaalsContact CA-O 3.27Å; S95-L103 WeakPolarHBondContact CA-O 3.48Å; Y96-L103 HydrophobicContact CD1-CB 4.15Å; Y96-L103 VanDerWaalsContact CD1-O 3.28Å; Y96-L103 WeakPolarHBondContact CD1-O 3.32Å; Y96-L103 HydrophobicContact CD2-CB 4.28Å; Y96-L103 HydrophobicContact CD2-CD1 4.39Å; Y96-L103 VanDerWaalsContact CE1-C 3.49Å; Y96-L103 HydrophobicContact CE1-CB 3.92Å; Y96-L103 HydrophobicContact CE2-CB 4.07Å; Y96-L103 HydrophobicContact CE2-CD1 4.21Å; Y96-L103 HydrophobicContact CE2-CD2 4.18Å; Y96-L103 HydrophobicContact CE2-CG 4.39Å; Y96-L103 HydrophobicContact CG-CB 4.31Å; Y96-L103 PolarHBondContact N-O 3.42Å; Y96-L103 WeakPolarHBondContact O-CB 3.42Å; A99-L103 HydrophobicContact CB-CB 4.2Å; A99-L103 HydrophobicContact CB-CD1 3.57Å; A99-L103 HydrophobicContact CB-CG 3.78Å; G100-L103 PolarHBondContact O-N 3.44Å; S101-L103 VanDerWaalsContact C-N 3.34Å
104	T	96.1	Very high	94.3	Very high	58 Å²	58	38.9 Å²	38.9	36%	0.356	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.6	-179.4	57.1	0	0	0	0	112	L94	L94-T104 CarbonylContact O-C 3.57Å; L94-T104 WeakPolarHBondContact O-CA 3.39Å
105	V	96.8	Very high	94.2	Very high	37 Å²	37	39.1 Å²	39.1	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.7	167	-60.3	0	0	0	0	109.2	Y81 A93 L94 Y96 F107 Y123	Y81-V105 HydrophobicContact CD1-CG2 4.28Å; Y81-V105 HydrophobicContact CE1-CG1 4.42Å; Y81-V105 HydrophobicContact CE1-CG2 3.47Å; Y81-V105 VanDerWaalsContact CE1-CG2 3.47Å; A93-V105 CarbonylContact C-O 3.48Å; A93-V105 VanDerWaalsContact CA-O 3.23Å; A93-V105 WeakPolarHBondContact CA-O 3.49Å; A93-V105 WeakPolarHBondContact CB-O 3.27Å; L94-V105 HydrophobicContact CB-CG2 3.99Å; L94-V105 PolarHBondContact N-O 3.13Å; L94-V105 PolarHBondContact O-N 2.99Å; Y96-V105 HydrophobicContact CE1-CG1 4.11Å; V105-F107 PolarHBondContact O-N 2.95Å; V105-Y123 HydrophobicContact CG2-CE1 4.11Å
106	P	97.1	Very high	93.8	Very high	102 Å²	102	42.3 Å²	42.3	66%	0.662	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-53.4	137.4	171.4	-25	34.8	0	0	0	111.3	Y123	P106-Y123 PolarHBondContact O-OH 3.38Å
107	F	98	Very high	93.6	Very high	16 Å²	16	45.5 Å²	45.5	7%	0.07	26%	0.261	C	S	.	.			trans	-102.5	117	-179.4	-177	-130.8	0	0	0	111.7	D92 L94 V105 P109 L112 Y123 W161	D92-F107 HydrophobicContact CB-CB 4.27Å; D92-F107 HydrophobicContact CB-CD1 4.19Å; D92-F107 WeakPolarHBondContact O-CB 3.49Å; D92-F107 PolarHBondContact O-N 2.81Å; L94-F107 HydrophobicContact CD1-CD2 3.47Å; L94-F107 VanDerWaalsContact CD1-CD2 3.47Å; L94-F107 HydrophobicContact CD1-CE2 3.9Å; L94-F107 HydrophobicContact CD1-CG 4.33Å; L94-F107 HydrophobicContact CD2-CD2 4.03Å; L94-F107 HydrophobicContact CD2-CE2 4.32Å; L94-F107 HydrophobicContact CD2-CG 4.29Å; L94-F107 HydrophobicContact CG-CB 4.03Å; L94-F107 HydrophobicContact CG-CD2 3.48Å; L94-F107 VanDerWaalsContact CG-CD2 3.48Å; L94-F107 HydrophobicContact CG-CE2 4.16Å; L94-F107 HydrophobicContact CG-CG 3.85Å; V105-F107 PolarHBondContact O-N 2.95Å; F107-P109 HydrophobicContact CE1-CB 4.03Å; F107-P109 HydrophobicContact CZ-CB 3.88Å; F107-L112 HydrophobicContact CE2-CD1 3.97Å; F107-L112 HydrophobicContact CE2-CD2 4.14Å; F107-L112 HydrophobicContact CE2-CG 3.95Å; F107-L112 HydrophobicContact CZ-CD1 3.71Å; F107-L112 HydrophobicContact CZ-CG 4.22Å; F107-Y123 HydrophobicContact CD2-CD2 4.36Å; F107-Y123 AromaticContact CD2-CE2 3.75Å; F107-Y123 HydrophobicContact CD2-CE2 3.75Å; F107-Y123 AromaticContact CD2-CZ 4Å; F107-Y123 HydrophobicContact CE2-CD2 4.19Å; F107-Y123 AromaticContact CE2-CE2 3.87Å; F107-Y123 HydrophobicContact CE2-CE2 3.87Å; F107-W161 AromaticContact CD1-CE2 3.94Å; F107-W161 HydrophobicContact CD1-CH2 4.26Å; F107-W161 AromaticContact CD1-CZ2 3.78Å; F107-W161 HydrophobicContact CD1-CZ2 3.78Å; F107-W161 AromaticContact CE1-CD2 3.79Å; F107-W161 HydrophobicContact CE1-CD2 3.79Å; F107-W161 AromaticContact CE1-CE2 3.52Å; F107-W161 AromaticContact CE1-CE3 3.89Å; F107-W161 HydrophobicContact CE1-CE3 3.89Å; F107-W161 AromaticContact CE1-CH2 3.53Å; F107-W161 HydrophobicContact CE1-CH2 3.53Å; F107-W161 AromaticContact CE1-CZ2 3.41Å; F107-W161 HydrophobicContact CE1-CZ2 3.41Å; F107-W161 VanDerWaalsContact CE1-CZ2 3.41Å; F107-W161 AromaticContact CE1-CZ3 3.75Å; F107-W161 HydrophobicContact CE1-CZ3 3.75Å; F107-W161 HydrophobicContact CZ-CE3 4.44Å; F107-W161 HydrophobicContact CZ-CH2 4.39Å; F107-W161 HydrophobicContact CZ-CZ3 4.3Å
108	E	97.9	Very high	93.5	Very high	73 Å²	73	49.3 Å²	49.3	34%	0.341	28%	0.284	S	S	.	.			trans	-116.2	96.2	177.2	-67.7	-177.8	-89.7	0	0	108.1	Q110 R111 Y123	E108-Q110 VanDerWaalsContact C-OE1 3.28Å; E108-Q110 PolarHBondContact O-N 2.8Å; E108-Q110 PolarHBondContact OE2-NE2 2.79Å; E108-R111 HydrophobicContact CB-CG 3.89Å; E108-R111 WeakPolarHBondContact O-CB 3.34Å; E108-R111 PolarHBondContact O-N 3.35Å; E108-R111 WeakPolarHBondContact OE1-CD 3.46Å; E108-R111 IonicContact OE1-CZ 3.94Å; E108-R111 IonicContact OE1-NE 2.93Å; E108-R111 IonicContact OE1-NH1 3.31Å; E108-R111 PolarHBondContact OE1-NH1 3.39Å; E108-Y123 PolarHBondContact N-OH 3.49Å; E108-Y123 WeakPolarHBondContact O-CE2 3.48Å
109	P	97.9	Very high	93.8	Very high	5 Å²	5	48 Å²	48	3%	0.032	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-57.7	-29.5	-168.4	23.8	-35.6	0	0	0	113.4	F107 R111 L112 I159 W161 Y166	F107-P109 HydrophobicContact CE1-CB 4.03Å; F107-P109 HydrophobicContact CZ-CB 3.88Å; P109-R111 PolarHBondContact O-N 2.93Å; P109-R111 VanDerWaalsContact O-N 3.14Å; P109-L112 WeakPolarHBondContact O-CB 3.28Å; P109-L112 PolarHBondContact O-N 3.41Å; P109-I159 HydrophobicContact CB-CD1 4.15Å; P109-I159 HydrophobicContact CB-CG2 3.87Å; P109-W161 HydrophobicContact CB-CB 3.83Å; P109-W161 HydrophobicContact CB-CD2 4.18Å; P109-W161 HydrophobicContact CB-CE3 4.46Å; P109-W161 HydrophobicContact CB-CG 3.88Å; P109-W161 HydrophobicContact CG-CB 3.68Å; P109-W161 HydrophobicContact CG-CD2 4.49Å; P109-W161 HydrophobicContact CG-CG 3.76Å; P109-Y166 HydrophobicContact CG-CD1 4.43Å; P109-Y166 HydrophobicContact CG-CD2 3.74Å; P109-Y166 HydrophobicContact CG-CE1 4.46Å; P109-Y166 HydrophobicContact CG-CE2 3.8Å; P109-Y166 HydrophobicContact CG-CG 4.08Å
110	Q	98.1	Very high	94.3	Very high	43 Å²	43	52.5 Å²	52.5	20%	0.201	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.1	-20.9	175.6	70.3	-82.6	17.2	0	0	114.3	E108 Y166 L167 L168 T169	E108-Q110 VanDerWaalsContact C-OE1 3.28Å; E108-Q110 PolarHBondContact O-N 2.8Å; E108-Q110 PolarHBondContact OE2-NE2 2.79Å; Q110-Y166 HydrophobicContact CB-CD1 4.41Å; Q110-L167 WeakPolarHBondContact CB-O 3.35Å; Q110-L168 CarbonylContact O-C 3.58Å; Q110-L168 WeakPolarHBondContact O-CA 3.49Å; Q110-T169 HydrophobicContact CB-CG2 4.2Å; Q110-T169 HydrophobicContact CG-CG2 3.91Å; Q110-T169 PolarHBondContact O-N 2.96Å; Q110-T169 PolarHBondContact O-OG1 2.9Å
111	R	98.5	Very high	95	Very high	70 Å²	70	50.9 Å²	50.9	26%	0.264	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-91.4	-2.8	-176.1	-55.2	-178.3	66.3	-166	-4.3	113.3	E108 P109 Y123 P124 E171	E108-R111 HydrophobicContact CB-CG 3.89Å; E108-R111 WeakPolarHBondContact O-CB 3.34Å; E108-R111 PolarHBondContact O-N 3.35Å; E108-R111 WeakPolarHBondContact OE1-CD 3.46Å; E108-R111 IonicContact OE1-CZ 3.94Å; E108-R111 IonicContact OE1-NE 2.93Å; E108-R111 IonicContact OE1-NH1 3.31Å; E108-R111 PolarHBondContact OE1-NH1 3.39Å; P109-R111 PolarHBondContact O-N 2.93Å; P109-R111 VanDerWaalsContact O-N 3.14Å; R111-Y123 HydrophobicContact CB-CD2 4.42Å; R111-Y123 HydrophobicContact CB-CE2 3.87Å; R111-P124 HydrophobicContact CB-CG 3.99Å; R111-P124 VanDerWaalsContact NH2-CB 3.29Å; R111-P124 VanDerWaalsContact NH2-CG 3.3Å; R111-E171 IonicContact CZ-OE1 3Å; R111-E171 VanDerWaalsContact CZ-OE1 3.28Å; R111-E171 IonicContact NE-OE1 2.96Å; R111-E171 PolarHBondContact NE-OE1 3.46Å; R111-E171 IonicContact NH2-OE1 3.85Å; R111-E171 PolarHBondContact NH2-OE1 3.24Å
112	L	98.4	Very high	95.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.254	C	S	.	.			trans	-61.8	142.2	171	-73.7	166.3	0	0	0	110.5	F107 P109 L121 Y123 I135 I143 F147 I159 L168	F107-L112 HydrophobicContact CE2-CD1 3.97Å; F107-L112 HydrophobicContact CE2-CD2 4.14Å; F107-L112 HydrophobicContact CE2-CG 3.95Å; F107-L112 HydrophobicContact CZ-CD1 3.71Å; F107-L112 HydrophobicContact CZ-CG 4.22Å; P109-L112 WeakPolarHBondContact O-CB 3.28Å; P109-L112 PolarHBondContact O-N 3.41Å; L112-L121 HydrophobicContact CB-CD1 4.36Å; L112-L121 HydrophobicContact CD2-CD2 3.94Å; L112-L121 HydrophobicContact CD2-CG 4.11Å; L112-Y123 HydrophobicContact CD2-CD2 3.85Å; L112-Y123 HydrophobicContact CG-CD2 4.16Å; L112-I135 HydrophobicContact CD2-CD1 4.1Å; L112-I135 HydrophobicContact CD2-CG1 4Å; L112-I143 HydrophobicContact CD1-CD1 4.44Å; L112-I143 HydrophobicContact CD1-CG2 3.49Å; L112-I143 VanDerWaalsContact CD1-CG2 3.49Å; L112-F147 HydrophobicContact CB-CE1 4.4Å; L112-F147 HydrophobicContact CB-CZ 4.21Å; L112-F147 HydrophobicContact CD1-CE1 4.36Å; L112-F147 HydrophobicContact CD1-CZ 4.19Å; L112-I159 HydrophobicContact CD1-CD1 3.51Å; L112-L168 HydrophobicContact CB-CD2 4.36Å
113	F	97.5	Very high	95.9	Very high	14 Å²	14	41.8 Å²	41.8	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	123.6	179.9	171.8	-103.1	0	0	0	110.3	L121 Y122 N170 L172 F176	F113-L121 WeakPolarHBondContact O-CD1 3.41Å; F113-Y122 HydrophobicContact CD1-CD2 4.29Å; F113-Y122 PolarHBondContact N-O 2.94Å; F113-Y122 PolarHBondContact O-N 3.24Å; F113-N170 HydrophobicContact CD2-CB 4.43Å; F113-L172 HydrophobicContact CB-CB 3.89Å; F113-L172 HydrophobicContact CB-CD1 3.94Å; F113-L172 HydrophobicContact CB-CG 4.33Å; F113-L172 HydrophobicContact CD1-CB 4.03Å; F113-L172 HydrophobicContact CG-CB 3.92Å; F113-F176 AromaticContact CD1-CD2 3.93Å; F113-F176 HydrophobicContact CD1-CD2 3.93Å; F113-F176 AromaticContact CD1-CE2 3.71Å; F113-F176 HydrophobicContact CD1-CE2 3.71Å; F113-F176 HydrophobicContact CD1-CZ 4.47Å; F113-F176 AromaticContact CE1-CD2 3.33Å; F113-F176 HydrophobicContact CE1-CD2 3.33Å; F113-F176 AromaticContact CE1-CE2 3.55Å; F113-F176 HydrophobicContact CE1-CE2 3.55Å; F113-F176 AromaticContact CE1-CG 3.94Å; F113-F176 HydrophobicContact CE1-CG 3.94Å; F113-F176 HydrophobicContact CE1-CZ 4.29Å; F113-F176 HydrophobicContact CZ-CD2 4.12Å
114	M	96.2	Very high	96.1	Very high	35 Å²	35	42.4 Å²	42.4	17%	0.172	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.7	173.4	-174.4	178.3	-70.4	0	0	109.2	S116 L121 F147 P156	M114-S116 PolarHBondContact O-N 2.98Å; M114-L121 HydrophobicContact CB-CD1 4.02Å; M114-F147 HydrophobicContact CE-CD2 3.65Å; M114-F147 HydrophobicContact CE-CE2 3.64Å; M114-P156 HydrophobicContact CB-CG 4.03Å; M114-P156 HydrophobicContact CE-CG 4.25Å; M114-P156 HydrophobicContact SD-CG 4.27Å
115	S	93.7	Very high	96.1	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	23%	0.228	C	C	.	.			trans	-71.3	121.7	173.4	168.7	0	0	0	0	109.8	D117 T118 G119 R120	S115-D117 VanDerWaalsContact C-N 3.26Å; S115-D117 PolarHBondContact O-N 3.22Å; S115-D117 PolarHBondContact OG-N 2.8Å; S115-T118 VanDerWaalsContact CB-OG1 3.32Å; S115-T118 WeakPolarHBondContact CB-OG1 3.14Å; S115-T118 PolarHBondContact O-N 3.39Å; S115-T118 PolarHBondContact OG-N 3.26Å; S115-T118 PolarHBondContact OG-OG1 2.74Å; S115-T118 VanDerWaalsContact OG-OG1 3.1Å; S115-G119 VanDerWaalsContact O-CA 3.24Å; S115-G119 WeakPolarHBondContact O-CA 3.27Å; S115-G119 PolarHBondContact O-N 2.93Å; S115-R120 PolarHBondContact N-O 3.3Å
116	S	89.3	Confident	96	Very high	75 Å²	75	42.6 Å²	42.6	52%	0.524	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.9	175.3	25.2	0	0	0	0	113.9	M114 E155	M114-S116 PolarHBondContact O-N 2.98Å; S116-E155 WeakPolarHBondContact CB-OE1 3.28Å; S116-E155 PolarHBondContact OG-OE1 3.14Å
117	D	89.9	Confident	95.8	Very high	102 Å²	102	45.5 Å²	45.5	55%	0.545	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-31.7	-178.8	-59.7	-35.6	0	0	0	112	S115 K180	S115-D117 VanDerWaalsContact C-N 3.26Å; S115-D117 PolarHBondContact O-N 3.22Å; S115-D117 PolarHBondContact OG-N 2.8Å; D117-K180 IonicContact OD1-NZ 2.86Å; D117-K180 PolarHBondContact OD1-NZ 2.86Å; D117-K180 WeakPolarHBondContact OD2-CE 3.4Å; D117-K180 IonicContact OD2-NZ 3.96Å; D117-K180 PolarHBondContact OD2-NZ 3.4Å
118	T	91.4	Very high	95.5	Very high	81 Å²	81	50.1 Å²	50.1	50%	0.497	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-15.2	-171.3	63.1	0	0	0	0	114.5	S115 R120	S115-T118 VanDerWaalsContact CB-OG1 3.32Å; S115-T118 WeakPolarHBondContact CB-OG1 3.14Å; S115-T118 PolarHBondContact O-N 3.39Å; S115-T118 PolarHBondContact OG-N 3.26Å; S115-T118 PolarHBondContact OG-OG1 2.74Å; S115-T118 VanDerWaalsContact OG-OG1 3.1Å; T118-R120 PolarHBondContact O-N 2.93Å; T118-R120 VanDerWaalsContact O-N 3.13Å; T118-R120 WeakPolarHBondContact OG1-CB 3.01Å; T118-R120 PolarHBondContact OG1-N 3.16Å
119	G	92.7	Very high	95.4	Very high	48 Å²	48	47 Å²	47	50%	0.495	25%	0.253	S	S	.	.			trans	67.5	-1.8	-168.5	0	0	0	0	0	114.3	S115	S115-G119 VanDerWaalsContact O-CA 3.24Å; S115-G119 WeakPolarHBondContact O-CA 3.27Å; S115-G119 PolarHBondContact O-N 2.93Å
120	R	95.8	Very high	95.2	Very high	98 Å²	98	48.3 Å²	48.3	37%	0.37	27%	0.268	S	S	.	.			trans	-69.1	145.8	178.5	-68.2	180	176.2	-171	-3.4	110.3	D75 D76 S115 T118 Y122 L134	D75-R120 IonicContact OD2-NH2 3.56Å; D76-R120 WeakPolarHBondContact OD2-CD 3.01Å; D76-R120 IonicContact OD2-CZ 2.82Å; D76-R120 IonicContact OD2-NH1 3.95Å; D76-R120 PolarHBondContact OD2-NH1 3Å; S115-R120 PolarHBondContact N-O 3.3Å; T118-R120 PolarHBondContact O-N 2.93Å; T118-R120 VanDerWaalsContact O-N 3.13Å; T118-R120 WeakPolarHBondContact OG1-CB 3.01Å; T118-R120 PolarHBondContact OG1-N 3.16Å; R120-Y122 HydrophobicContact CB-CD2 4.49Å; R120-Y122 HydrophobicContact CB-CE2 3.63Å; R120-Y122 WeakPolarHBondContact O-CD2 3.45Å; R120-L134 HydrophobicContact CB-CD1 4.13Å
121	L	97.4	Very high	95.1	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	137	-179.9	-168	68.8	0	0	0	110.2	L112 F113 M114 I135 A140 I143 F147	L112-L121 HydrophobicContact CB-CD1 4.36Å; L112-L121 HydrophobicContact CD2-CD2 3.94Å; L112-L121 HydrophobicContact CD2-CG 4.11Å; F113-L121 WeakPolarHBondContact O-CD1 3.41Å; M114-L121 HydrophobicContact CB-CD1 4.02Å; L121-I135 HydrophobicContact CB-CB 4Å; L121-I135 HydrophobicContact CB-CG1 4.18Å; L121-I135 HydrophobicContact CD2-CB 4.27Å; L121-I135 HydrophobicContact CD2-CG1 4.04Å; L121-I135 HydrophobicContact CD2-CG2 4.23Å; L121-I135 HydrophobicContact CG-CB 4.22Å; L121-I135 HydrophobicContact CG-CG1 3.89Å; L121-I135 WeakPolarHBondContact O-CB 3.31Å; L121-I135 PolarHBondContact O-N 3.38Å; L121-A140 HydrophobicContact CB-CB 4.17Å; L121-I143 HydrophobicContact CD2-CB 4.08Å; L121-I143 HydrophobicContact CD2-CG2 3.62Å; L121-F147 HydrophobicContact CD1-CE2 3.71Å; L121-F147 HydrophobicContact CD1-CZ 3.56Å; L121-F147 HydrophobicContact CD2-CE2 4.03Å; L121-F147 HydrophobicContact CD2-CZ 4.01Å; L121-F147 HydrophobicContact CG-CZ 4.47Å
122	Y	98.1	Very high	95	Very high	6 Å²	6	43.1 Å²	43.1	2%	0.024	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158	-176.3	-62.6	-86.7	0	0	0	110.7	D76 R77 F113 R120 V132 G133 L134 F176	D76-Y122 PolarHBondContact OD2-OH 2.73Å; R77-Y122 HydrophobicContact CG-CE1 4.27Å; F113-Y122 HydrophobicContact CD1-CD2 4.29Å; F113-Y122 PolarHBondContact N-O 2.94Å; F113-Y122 PolarHBondContact O-N 3.24Å; R120-Y122 HydrophobicContact CB-CD2 4.49Å; R120-Y122 HydrophobicContact CB-CE2 3.63Å; R120-Y122 WeakPolarHBondContact O-CD2 3.45Å; Y122-V132 HydrophobicContact CD1-CG2 3.83Å; Y122-V132 HydrophobicContact CG-CG2 4.05Å; Y122-G133 VanDerWaalsContact CA-O 3.27Å; Y122-G133 WeakPolarHBondContact CA-O 3.34Å; Y122-G133 WeakPolarHBondContact CB-O 3.37Å; Y122-G133 WeakPolarHBondContact CD1-O 3.47Å; Y122-L134 HydrophobicContact CD1-CB 4.44Å; Y122-L134 HydrophobicContact CD1-CD1 4.2Å; Y122-L134 HydrophobicContact CE1-CB 4.36Å; Y122-L134 HydrophobicContact CE1-CD1 3.75Å; Y122-F176 AromaticContact CD1-CZ 3.83Å; Y122-F176 HydrophobicContact CD1-CZ 3.83Å; Y122-F176 HydrophobicContact CD2-CE1 4.14Å; Y122-F176 HydrophobicContact CD2-CE2 4.22Å; Y122-F176 AromaticContact CD2-CZ 3.53Å; Y122-F176 HydrophobicContact CD2-CZ 3.53Å; Y122-F176 HydrophobicContact CE1-CE1 4.3Å; Y122-F176 AromaticContact CE1-CZ 3.94Å; Y122-F176 HydrophobicContact CE1-CZ 3.94Å; Y122-F176 AromaticContact CE2-CE1 3.77Å; Y122-F176 HydrophobicContact CE2-CE1 3.77Å; Y122-F176 AromaticContact CE2-CZ 3.63Å; Y122-F176 HydrophobicContact CE2-CZ 3.63Å; Y122-F176 HydrophobicContact CG-CE2 4.27Å; Y122-F176 AromaticContact CG-CZ 3.64Å; Y122-F176 HydrophobicContact CG-CZ 3.64Å; Y122-F176 AromaticContact CZ-CE1 3.86Å; Y122-F176 AromaticContact CZ-CZ 3.84Å
123	Y	98.5	Very high	95	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.6	177.6	-170.5	-98.5	0	0	0	110.1	Y81 L94 V105 P106 F107 E108 R111 L112 A125 G133	Y81-Y123 HydrophobicContact CD2-CD1 4.49Å; Y81-Y123 AromaticContact CE2-CD1 3.93Å; Y81-Y123 HydrophobicContact CE2-CD1 3.93Å; Y81-Y123 HydrophobicContact CE2-CG 4.39Å; L94-Y123 HydrophobicContact CD1-CD1 3.53Å; L94-Y123 HydrophobicContact CD1-CD2 3.95Å; L94-Y123 HydrophobicContact CD1-CE1 3.83Å; L94-Y123 HydrophobicContact CD1-CE2 4.21Å; L94-Y123 HydrophobicContact CD1-CG 3.6Å; V105-Y123 HydrophobicContact CG2-CE1 4.11Å; P106-Y123 PolarHBondContact O-OH 3.38Å; F107-Y123 HydrophobicContact CD2-CD2 4.36Å; F107-Y123 AromaticContact CD2-CE2 3.75Å; F107-Y123 HydrophobicContact CD2-CE2 3.75Å; F107-Y123 AromaticContact CD2-CZ 4Å; F107-Y123 HydrophobicContact CE2-CD2 4.19Å; F107-Y123 AromaticContact CE2-CE2 3.87Å; F107-Y123 HydrophobicContact CE2-CE2 3.87Å; E108-Y123 PolarHBondContact N-OH 3.49Å; E108-Y123 WeakPolarHBondContact O-CE2 3.48Å; R111-Y123 HydrophobicContact CB-CD2 4.42Å; R111-Y123 HydrophobicContact CB-CE2 3.87Å; L112-Y123 HydrophobicContact CD2-CD2 3.85Å; L112-Y123 HydrophobicContact CG-CD2 4.16Å; Y123-A125 PolarHBondContact O-N 3.1Å; Y123-G133 PolarHBondContact N-O 2.89Å; Y123-G133 PolarHBondContact O-N 3.42Å
124	P	98.2	Very high	95	Very high	14 Å²	14	42.7 Å²	42.7	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	135.4	-179.4	-28.3	37.7	0	0	0	112.5	Y81 R111 E171 L172	Y81-P124 PolarHBondContact OH-O 3.41Å; R111-P124 HydrophobicContact CB-CG 3.99Å; R111-P124 VanDerWaalsContact NH2-CB 3.29Å; R111-P124 VanDerWaalsContact NH2-CG 3.3Å; P124-E171 VanDerWaalsContact CG-OE1 3.27Å; P124-E171 WeakPolarHBondContact CG-OE1 3.31Å; P124-L172 HydrophobicContact CB-CD2 4.48Å; P124-L172 HydrophobicContact CG-CD1 4.17Å; P124-L172 HydrophobicContact CG-CD2 4.15Å; P124-L172 HydrophobicContact CG-CG 4.33Å
125	A	97.2	Very high	95.1	Very high	18 Å²	18	41.2 Å²	41.2	15%	0.149	24%	0.239	C	C	.	.			trans	-123.4	-176.2	171.8	0	0	0	0	0	109.8	I79 Y123 G131 V132	I79-A125 HydrophobicContact CB-CB 4.33Å; I79-A125 HydrophobicContact CG1-CB 4.34Å; Y123-A125 PolarHBondContact O-N 3.1Å; A125-G131 PolarHBondContact N-O 2.8Å; A125-G131 CarbonylContact O-C 3.5Å; A125-G131 WeakPolarHBondContact O-CA 3.31Å; A125-V132 VanDerWaalsContact CB-C 3.49Å
126	T	94.4	Very high	95.3	Very high	81 Å²	81	41.3 Å²	41.3	50%	0.497	24%	0.239	S	C	.	.			trans	-64.6	140.1	178.5	57.2	0	0	0	0	111.4	E128 L129 G130 G131	T126-E128 PolarHBondContact O-N 3.19Å; T126-L129 PolarHBondContact O-N 2.91Å; T126-L129 WeakPolarHBondContact OG1-CG 3.42Å; T126-G130 PolarHBondContact O-N 3.01Å; T126-G131 WeakPolarHBondContact O-CA 3.37Å; T126-G131 PolarHBondContact O-N 3.26Å
127	E	93.8	Very high	95.5	Very high	163 Å²	163	40.9 Å²	40.9	76%	0.762	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-56.8	-36	176.7	-69.8	-60	147.2	0	0	112.2	L129 G130	E127-L129 PolarHBondContact O-N 3.16Å; E127-L129 VanDerWaalsContact O-N 3.13Å; E127-G130 PolarHBondContact O-N 2.93Å
128	E	91.2	Very high	95.8	Very high	114 Å²	114	39.1 Å²	39.1	53%	0.533	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-56.4	-29.3	175	-176.7	174	-164.7	0	0	112.8	R48 R49 T126	R48-E128 HydrophobicContact CB-CG 4.15Å; R48-E128 WeakPolarHBondContact CB-OE1 3.3Å; R49-E128 WeakPolarHBondContact CG-O 3.17Å; T126-E128 PolarHBondContact O-N 3.19Å
129	L	94.8	Very high	96	Very high	6 Å²	6	35.9 Å²	35.9	3%	0.031	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-100.8	12.4	178.5	-63.2	179.8	0	0	0	113.3	L47 Y61 P78 I79 T126 E127	L47-L129 HydrophobicContact CB-CD1 4.45Å; L47-L129 HydrophobicContact CD2-CD1 4.22Å; L47-L129 HydrophobicContact CG-CD1 4.24Å; L47-L129 HydrophobicContact CG-CD2 4.08Å; Y61-L129 HydrophobicContact CD1-CD2 3.72Å; Y61-L129 HydrophobicContact CE1-CD2 3.97Å; P78-L129 HydrophobicContact CG-CB 4.09Å; P78-L129 HydrophobicContact CG-CD2 4.4Å; I79-L129 HydrophobicContact CD1-CD1 3.7Å; I79-L129 HydrophobicContact CG1-CD1 3.68Å; T126-L129 PolarHBondContact O-N 2.91Å; T126-L129 WeakPolarHBondContact OG1-CG 3.42Å; E127-L129 PolarHBondContact O-N 3.16Å; E127-L129 VanDerWaalsContact O-N 3.13Å
130	G	93.9	Very high	96.2	Very high	34 Å²	34	34.7 Å²	34.7	35%	0.351	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	9.5	179.4	0	0	0	0	0	114.7	T126 E127 V132	T126-G130 PolarHBondContact O-N 3.01Å; E127-G130 PolarHBondContact O-N 2.93Å; G130-V132 PolarHBondContact O-N 2.95Å; G130-V132 VanDerWaalsContact O-N 3.16Å
131	G	95.9	Very high	96.2	Very high	2 Å²	2	36 Å²	36	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	76.2	-2.6	171.8	0	0	0	0	0	115.3	A125 T126	A125-G131 PolarHBondContact N-O 2.8Å; A125-G131 CarbonylContact O-C 3.5Å; A125-G131 WeakPolarHBondContact O-CA 3.31Å; T126-G131 WeakPolarHBondContact O-CA 3.37Å; T126-G131 PolarHBondContact O-N 3.26Å
132	V	97.6	Very high	96.2	Very high	2 Å²	2	41 Å²	41	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	136.1	-175.3	60.9	0	0	0	0	112.6	Y122 A125 G130 L172 I175 F176	Y122-V132 HydrophobicContact CD1-CG2 3.83Å; Y122-V132 HydrophobicContact CG-CG2 4.05Å; A125-V132 VanDerWaalsContact CB-C 3.49Å; G130-V132 PolarHBondContact O-N 2.95Å; G130-V132 VanDerWaalsContact O-N 3.16Å; V132-L172 HydrophobicContact CB-CD2 4.4Å; V132-L172 HydrophobicContact CG2-CD1 3.98Å; V132-I175 HydrophobicContact CB-CD1 4.05Å; V132-I175 HydrophobicContact CG1-CD1 4.19Å; V132-I175 HydrophobicContact CG1-CG2 4.11Å; V132-F176 HydrophobicContact CG2-CE2 4.25Å; V132-F176 HydrophobicContact CG2-CZ 4.28Å
133	G	97.7	Very high	96.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.7	171.9	0	0	0	0	0	111.6	I79 Y122 Y123	I79-G133 CarbonylContact O-C 3.53Å; I79-G133 VanDerWaalsContact O-CA 3.25Å; I79-G133 WeakPolarHBondContact O-CA 3.33Å; Y122-G133 VanDerWaalsContact CA-O 3.27Å; Y122-G133 WeakPolarHBondContact CA-O 3.34Å; Y122-G133 WeakPolarHBondContact CB-O 3.37Å; Y122-G133 WeakPolarHBondContact CD1-O 3.47Å; Y123-G133 PolarHBondContact N-O 2.89Å; Y123-G133 PolarHBondContact O-N 3.42Å
134	L	98.1	Very high	95.9	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	141.6	176.2	178	67.5	0	0	0	109.8	H28 D76 R77 I79 V80 Y81 R120 Y122	H28-L134 HydrophobicContact CB-CD2 4.22Å; D76-L134 HydrophobicContact CB-CD2 4.25Å; R77-L134 HydrophobicContact CB-CB 4.32Å; I79-L134 PolarHBondContact O-N 3.42Å; V80-L134 CarbonylContact C-O 3.5Å; V80-L134 VanDerWaalsContact CA-O 3.26Å; V80-L134 WeakPolarHBondContact CA-O 3.5Å; V80-L134 HydrophobicContact CG1-CB 4.48Å; V80-L134 HydrophobicContact CG1-CD2 4.41Å; V80-L134 HydrophobicContact CG1-CG 4.48Å; V80-L134 HydrophobicContact CG2-CB 4.32Å; V80-L134 HydrophobicContact CG2-CD2 4.4Å; Y81-L134 PolarHBondContact N-O 3.3Å; R120-L134 HydrophobicContact CB-CD1 4.13Å; Y122-L134 HydrophobicContact CD1-CB 4.44Å; Y122-L134 HydrophobicContact CD1-CD1 4.2Å; Y122-L134 HydrophobicContact CE1-CB 4.36Å; Y122-L134 HydrophobicContact CE1-CD1 3.75Å
135	I	98	Very high	95.8	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	126.4	161.5	-58.2	-59	0	0	0	107.6	Y81 L94 L112 L121 L139 A140 I143	Y81-I135 HydrophobicContact CD2-CD1 3.87Å; Y81-I135 HydrophobicContact CG-CD1 4.13Å; L94-I135 HydrophobicContact CD1-CD1 4.07Å; L112-I135 HydrophobicContact CD2-CD1 4.1Å; L112-I135 HydrophobicContact CD2-CG1 4Å; L121-I135 HydrophobicContact CB-CB 4Å; L121-I135 HydrophobicContact CB-CG1 4.18Å; L121-I135 HydrophobicContact CD2-CB 4.27Å; L121-I135 HydrophobicContact CD2-CG1 4.04Å; L121-I135 HydrophobicContact CD2-CG2 4.23Å; L121-I135 HydrophobicContact CG-CB 4.22Å; L121-I135 HydrophobicContact CG-CG1 3.89Å; L121-I135 WeakPolarHBondContact O-CB 3.31Å; L121-I135 PolarHBondContact O-N 3.38Å; I135-L139 HydrophobicContact CG2-CB 3.8Å; I135-L139 HydrophobicContact CG2-CD2 3.93Å; I135-L139 HydrophobicContact CG2-CG 3.73Å; I135-A140 HydrophobicContact CG2-CB 3.98Å; I135-I143 HydrophobicContact CG2-CD1 4.35Å
136	S	96.5	Very high	95.8	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.042	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-56.9	149.3	178.6	77.8	0	0	0	0	111.1	Y81 A138 L139 A140	Y81-S136 WeakPolarHBondContact O-CB 3.23Å; Y81-S136 PolarHBondContact O-N 3.14Å; S136-A138 PolarHBondContact O-N 2.81Å; S136-L139 PolarHBondContact O-N 2.75Å; S136-L139 WeakPolarHBondContact OG-CB 3.38Å; S136-L139 PolarHBondContact OG-N 2.85Å; S136-A140 WeakPolarHBondContact O-CB 3.19Å; S136-A140 PolarHBondContact O-N 3.17Å
137	S	94.9	Very high	95.9	Very high	67 Å²	67	44.2 Å²	44.2	47%	0.469	26%	0.264	S	S	.	.	H	α-helix	trans	-56.4	-38.1	-178.4	-55	0	0	0	0	112.9	A140 I141	S137-A140 PolarHBondContact O-N 3.44Å; S137-I141 WeakPolarHBondContact O-CG1 3.24Å; S137-I141 PolarHBondContact O-N 2.97Å
138	A	94.7	Very high	96	Very high	64 Å²	64	41.9 Å²	41.9	53%	0.529	25%	0.248	S	C	.	.	H	α-helix	trans	-63	-44.4	177.4	0	0	0	0	0	112	S136	S136-A138 PolarHBondContact O-N 2.81Å
139	L	96.7	Very high	96.1	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-71.9	-36.5	176.9	-179.2	57.1	0	0	0	111.7	V84 L94 I135 S136 I141 N142 I143	V84-L139 HydrophobicContact CG2-CD1 3.96Å; V84-L139 HydrophobicContact CG2-CD2 4.43Å; L94-L139 HydrophobicContact CD2-CD2 3.89Å; I135-L139 HydrophobicContact CG2-CB 3.8Å; I135-L139 HydrophobicContact CG2-CD2 3.93Å; I135-L139 HydrophobicContact CG2-CG 3.73Å; S136-L139 PolarHBondContact O-N 2.75Å; S136-L139 WeakPolarHBondContact OG-CB 3.38Å; S136-L139 PolarHBondContact OG-N 2.85Å; L139-I141 VanDerWaalsContact C-N 3.32Å; L139-I141 PolarHBondContact O-N 2.94Å; L139-N142 PolarHBondContact O-N 3.44Å; L139-I143 HydrophobicContact CD1-CD1 3.91Å; L139-I143 HydrophobicContact CD1-CG1 4.07Å; L139-I143 HydrophobicContact CD2-CD1 4.2Å; L139-I143 HydrophobicContact CG-CD1 3.72Å; L139-I143 HydrophobicContact CG-CG1 4.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.12Å; L139-I143 PolarHBondContact O-N 3.31Å
140	A	97.2	Very high	95.8	Very high	23 Å²	23	43.4 Å²	43.4	19%	0.19	26%	0.259	C	S	.	.	H	α-helix	trans	-63.3	-35.5	179.9	0	0	0	0	0	112.4	L121 I135 S136 S137 G144	L121-A140 HydrophobicContact CB-CB 4.17Å; I135-A140 HydrophobicContact CG2-CB 3.98Å; S136-A140 WeakPolarHBondContact O-CB 3.19Å; S136-A140 PolarHBondContact O-N 3.17Å; S137-A140 PolarHBondContact O-N 3.44Å; A140-G144 WeakPolarHBondContact O-CA 3.4Å; A140-G144 PolarHBondContact O-N 3.17Å
141	I	96.2	Very high	95.1	Very high	126 Å²	126	49 Å²	49	65%	0.646	28%	0.281	S	S	*	.	H	α-helix	trans	-61.4	-47.1	174.6	-70.9	163.4	0	0	0	110.7	S137 L139 G144 S145	S137-I141 WeakPolarHBondContact O-CG1 3.24Å; S137-I141 PolarHBondContact O-N 2.97Å; L139-I141 VanDerWaalsContact C-N 3.32Å; L139-I141 PolarHBondContact O-N 2.94Å; I141-G144 PolarHBondContact O-N 2.65Å; I141-S145 PolarHBondContact O-N 3.32Å
142	N	95.7	Very high	93.9	Very high	108 Å²	108	57 Å²	57	58%	0.578	32%	0.323	S	S	*	.	H	α-helix	trans	-64.8	-48.3	-179.6	-65.5	-27.3	0	0	0	111.2	L139 G144 S145	L139-N142 PolarHBondContact O-N 3.44Å; N142-G144 VanDerWaalsContact C-N 3.3Å; N142-G144 PolarHBondContact O-N 2.85Å; N142-S145 PolarHBondContact O-OG 3.03Å
143	I	97.2	Very high	92.9	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-37	177.7	-67	178.7	0	0	0	111	L112 L121 I135 L139 S145 L146 F147 I159 W161	L112-I143 HydrophobicContact CD1-CD1 4.44Å; L112-I143 HydrophobicContact CD1-CG2 3.49Å; L112-I143 VanDerWaalsContact CD1-CG2 3.49Å; L121-I143 HydrophobicContact CD2-CB 4.08Å; L121-I143 HydrophobicContact CD2-CG2 3.62Å; I135-I143 HydrophobicContact CG2-CD1 4.35Å; L139-I143 HydrophobicContact CD1-CD1 3.91Å; L139-I143 HydrophobicContact CD1-CG1 4.07Å; L139-I143 HydrophobicContact CD2-CD1 4.2Å; L139-I143 HydrophobicContact CG-CD1 3.72Å; L139-I143 HydrophobicContact CG-CG1 4.27Å; L139-I143 WeakPolarHBondContact O-CG1 3.12Å; L139-I143 PolarHBondContact O-N 3.31Å; I143-S145 VanDerWaalsContact C-N 3.29Å; I143-S145 PolarHBondContact O-N 2.94Å; I143-L146 VanDerWaalsContact O-CB 3.31Å; I143-L146 WeakPolarHBondContact O-CB 3.5Å; I143-L146 PolarHBondContact O-N 3.12Å; I143-F147 HydrophobicContact CG2-CE2 4.17Å; I143-F147 HydrophobicContact CG2-CZ 3.92Å; I143-I159 HydrophobicContact CG2-CD1 3.97Å; I143-W161 HydrophobicContact CG1-CZ3 4.4Å
144	G	94.8	Very high	92.1	Very high	21 Å²	21	67.2 Å²	67.2	22%	0.216	38%	0.38	C	S	.	.	H	α-helix	trans	-57.9	-39.4	-177.3	0	0	0	0	0	113.3	A140 I141 N142 L146 F147	A140-G144 WeakPolarHBondContact O-CA 3.4Å; A140-G144 PolarHBondContact O-N 3.17Å; I141-G144 PolarHBondContact O-N 2.65Å; N142-G144 VanDerWaalsContact C-N 3.3Å; N142-G144 PolarHBondContact O-N 2.85Å; G144-L146 PolarHBondContact O-N 2.68Å; G144-L146 VanDerWaalsContact O-N 3.14Å; G144-F147 PolarHBondContact O-N 3.38Å; G144-F147 VanDerWaalsContact O-N 3.17Å
145	S	94.7	Very high	91.6	Very high	97 Å²	97	71 Å²	71	68%	0.678	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-15.1	176.4	69.9	0	0	0	0	114.7	I141 N142 I143	I141-S145 PolarHBondContact O-N 3.32Å; N142-S145 PolarHBondContact O-OG 3.03Å; I143-S145 VanDerWaalsContact C-N 3.29Å; I143-S145 PolarHBondContact O-N 2.94Å
146	L	97.4	Very high	91.5	Very high	56 Å²	56	71 Å²	71	29%	0.293	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.1	-179.1	-59.5	176.7	0	0	0	112.7	I143 G144 I159 Q160 W161	I143-L146 VanDerWaalsContact O-CB 3.31Å; I143-L146 WeakPolarHBondContact O-CB 3.5Å; I143-L146 PolarHBondContact O-N 3.12Å; G144-L146 PolarHBondContact O-N 2.68Å; G144-L146 VanDerWaalsContact O-N 3.14Å; L146-I159 HydrophobicContact CB-CG1 4.09Å; L146-Q160 WeakPolarHBondContact CB-O 3.47Å; L146-Q160 PolarHBondContact O-N 2.68Å; L146-W161 HydrophobicContact CD1-CE3 3.65Å; L146-W161 HydrophobicContact CD1-CZ3 3.54Å
147	F	97.1	Very high	91.5	Very high	15 Å²	15	72.4 Å²	72.4	7%	0.066	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	147.9	175.7	-73.7	-47.1	0	0	0	112.3	L112 M114 L121 I143 G144 Y149 P156 H158 I159 L168	L112-F147 HydrophobicContact CB-CE1 4.4Å; L112-F147 HydrophobicContact CB-CZ 4.21Å; L112-F147 HydrophobicContact CD1-CE1 4.36Å; L112-F147 HydrophobicContact CD1-CZ 4.19Å; M114-F147 HydrophobicContact CE-CD2 3.65Å; M114-F147 HydrophobicContact CE-CE2 3.64Å; L121-F147 HydrophobicContact CD1-CE2 3.71Å; L121-F147 HydrophobicContact CD1-CZ 3.56Å; L121-F147 HydrophobicContact CD2-CE2 4.03Å; L121-F147 HydrophobicContact CD2-CZ 4.01Å; L121-F147 HydrophobicContact CG-CZ 4.47Å; I143-F147 HydrophobicContact CG2-CE2 4.17Å; I143-F147 HydrophobicContact CG2-CZ 3.92Å; G144-F147 PolarHBondContact O-N 3.38Å; G144-F147 VanDerWaalsContact O-N 3.17Å; F147-Y149 HydrophobicContact CB-CE2 3.86Å; F147-P156 HydrophobicContact CB-CB 3.64Å; F147-P156 HydrophobicContact CB-CG 4.49Å; F147-P156 HydrophobicContact CD1-CB 3.76Å; F147-P156 HydrophobicContact CD1-CG 4.11Å; F147-P156 HydrophobicContact CD2-CB 4.2Å; F147-P156 HydrophobicContact CD2-CG 4.15Å; F147-P156 HydrophobicContact CE1-CG 4.41Å; F147-P156 HydrophobicContact CE2-CG 4.47Å; F147-P156 HydrophobicContact CG-CB 3.61Å; F147-P156 HydrophobicContact CG-CG 4Å; F147-H158 WeakPolarHBondContact CA-O 3.46Å; F147-I159 HydrophobicContact CD1-CB 3.8Å; F147-I159 HydrophobicContact CD1-CD1 4.21Å; F147-I159 HydrophobicContact CD1-CG1 4.05Å; F147-I159 HydrophobicContact CE1-CB 3.93Å; F147-I159 HydrophobicContact CE1-CD1 3.8Å; F147-I159 HydrophobicContact CE1-CG1 4.12Å; F147-I159 HydrophobicContact CZ-CD1 4.46Å; F147-L168 HydrophobicContact CD1-CD1 3.97Å; F147-L168 HydrophobicContact CE1-CD1 3.84Å; F147-L168 HydrophobicContact CE1-CD2 4.09Å
148	R	95.9	Very high	91.6	Very high	114 Å²	114	72.4 Å²	72.4	43%	0.43	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.4	171.2	-57.4	-179.8	176.9	-174.5	-1.3	109.4	T157 H158	R148-T157 PolarHBondContact O-N 3.31Å; R148-T157 PolarHBondContact O-OG1 3.09Å; R148-H158 HydrophobicContact CB-CB 4.21Å; R148-H158 PolarHBondContact N-O 2.76Å; R148-H158 PolarHBondContact O-N 3.21Å
149	Y	93.2	Very high	91.8	Very high	107 Å²	107	69.3 Å²	69.3	42%	0.42	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.8	-176.1	-61.6	-98.8	0	0	0	108.5	F147 E155 P156	F147-Y149 HydrophobicContact CB-CE2 3.86Å; Y149-E155 WeakPolarHBondContact CD1-O 3.48Å; Y149-P156 HydrophobicContact CD1-CB 4.29Å; Y149-P156 HydrophobicContact CE1-CB 3.89Å; Y149-P156 HydrophobicContact CE1-CG 4.4Å
150	A	88	Confident	91.8	Very high	45 Å²	45	72.7 Å²	72.7	37%	0.372	39%	0.388	S	S	.	.			trans	-79.1	156.2	170.5	0	0	0	0	0	108.7	N152 T153 T157	A150-N152 PolarHBondContact O-N 2.78Å; A150-T153 HydrophobicContact CB-CG2 4.3Å; A150-T153 PolarHBondContact N-OG1 2.82Å; A150-T153 PolarHBondContact O-N 3.24Å; A150-T153 PolarHBondContact O-OG1 2.86Å; A150-T157 HydrophobicContact CB-CG2 3.79Å
151	N	78.7	Confident	91.8	Very high	153 Å²	153	72.7 Å²	72.7	82%	0.818	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	119.8	-178.1	-70.9	-14.3	0	0	0	110.4
152	N	71.2	Confident	91.7	Very high	169 Å²	169	72 Å²	72	90%	0.904	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	15.4	177.4	-44.4	-43.6	0	0	0	117.1	A150	A150-N152 PolarHBondContact O-N 2.78Å
153	T	76.8	Confident	91.6	Very high	55 Å²	55	74.9 Å²	74.9	34%	0.337	39%	0.388	S	S	.	.			trans	-99.5	132.1	171.6	70.1	0	0	0	0	111.3	A150 E155	A150-T153 HydrophobicContact CB-CG2 4.3Å; A150-T153 PolarHBondContact N-OG1 2.82Å; A150-T153 PolarHBondContact O-N 3.24Å; A150-T153 PolarHBondContact O-OG1 2.86Å; T153-E155 WeakPolarHBondContact CB-O 3.27Å; T153-E155 PolarHBondContact OG1-O 2.88Å
154	N	81.4	Confident	91.6	Very high	161 Å²	161	81.1 Å²	81.1	86%	0.861	42%	0.415	S	S	*	.	S	Bend	trans	-78.3	-10.8	167.7	-70.7	-14.8	0	0	0	112
155	E	87.5	Confident	91.7	Very high	85 Å²	85	83.4 Å²	83.4	40%	0.397	43%	0.425	S	S	.	.	S	Bend	trans	-99.9	137.4	177.7	-63.9	-179.8	170.2	0	0	110	S116 Y149 T153	S116-E155 WeakPolarHBondContact CB-OE1 3.28Å; S116-E155 PolarHBondContact OG-OE1 3.14Å; Y149-E155 WeakPolarHBondContact CD1-O 3.48Å; T153-E155 WeakPolarHBondContact CB-O 3.27Å; T153-E155 PolarHBondContact OG1-O 2.88Å
156	P	95.4	Very high	91.9	Very high	4 Å²	4	82 Å²	82	3%	0.026	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	142.5	175.8	31.6	-35.7	0	0	0	109.9	M114 F147 Y149 L168	M114-P156 HydrophobicContact CB-CG 4.03Å; M114-P156 HydrophobicContact CE-CG 4.25Å; M114-P156 HydrophobicContact SD-CG 4.27Å; F147-P156 HydrophobicContact CB-CB 3.64Å; F147-P156 HydrophobicContact CB-CG 4.49Å; F147-P156 HydrophobicContact CD1-CB 3.76Å; F147-P156 HydrophobicContact CD1-CG 4.11Å; F147-P156 HydrophobicContact CD2-CB 4.2Å; F147-P156 HydrophobicContact CD2-CG 4.15Å; F147-P156 HydrophobicContact CE1-CG 4.41Å; F147-P156 HydrophobicContact CE2-CG 4.47Å; F147-P156 HydrophobicContact CG-CB 3.61Å; F147-P156 HydrophobicContact CG-CG 4Å; Y149-P156 HydrophobicContact CD1-CB 4.29Å; Y149-P156 HydrophobicContact CE1-CB 3.89Å; Y149-P156 HydrophobicContact CE1-CG 4.4Å; P156-L168 HydrophobicContact CB-CD1 3.82Å; P156-L168 HydrophobicContact CG-CD1 3.77Å; P156-L168 WeakPolarHBondContact O-CD1 3.39Å
157	T	96	Very high	91.9	Very high	35 Å²	35	85 Å²	85	22%	0.215	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-30.5	177.1	55.1	0	0	0	0	111.7	R148 A150 L167 L168	R148-T157 PolarHBondContact O-N 3.31Å; R148-T157 PolarHBondContact O-OG1 3.09Å; A150-T157 HydrophobicContact CB-CG2 3.79Å; T157-L167 WeakPolarHBondContact O-CD1 3.47Å; T157-L168 PolarHBondContact O-N 2.91Å
158	H	97.8	Very high	92	Very high	67 Å²	67	84.6 Å²	84.6	31%	0.31	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	162.3	-179.2	-57.4	74.2	0	0	0	110.6	F147 R148 V165 Y166	F147-H158 WeakPolarHBondContact CA-O 3.46Å; R148-H158 HydrophobicContact CB-CB 4.21Å; R148-H158 PolarHBondContact N-O 2.76Å; R148-H158 PolarHBondContact O-N 3.21Å; H158-V165 HydrophobicContact CB-CG1 3.92Å; H158-Y166 CarbonylContact C-O 3.51Å; H158-Y166 WeakPolarHBondContact CA-O 3.47Å; H158-Y166 VanDerWaalsContact CB-O 3.31Å; H158-Y166 WeakPolarHBondContact CB-O 3.46Å
159	I	98.1	Very high	92.1	Very high	0 Å²	0	82.5 Å²	82.5	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.6	168.2	-175.2	171	0	0	0	109.3	P109 L112 I143 L146 F147 W161 V165 Y166 L168	P109-I159 HydrophobicContact CB-CD1 4.15Å; P109-I159 HydrophobicContact CB-CG2 3.87Å; L112-I159 HydrophobicContact CD1-CD1 3.51Å; I143-I159 HydrophobicContact CG2-CD1 3.97Å; L146-I159 HydrophobicContact CB-CG1 4.09Å; F147-I159 HydrophobicContact CD1-CB 3.8Å; F147-I159 HydrophobicContact CD1-CD1 4.21Å; F147-I159 HydrophobicContact CD1-CG1 4.05Å; F147-I159 HydrophobicContact CE1-CB 3.93Å; F147-I159 HydrophobicContact CE1-CD1 3.8Å; F147-I159 HydrophobicContact CE1-CG1 4.12Å; F147-I159 HydrophobicContact CZ-CD1 4.46Å; I159-W161 HydrophobicContact CD1-CE3 4.17Å; I159-V165 WeakPolarHBondContact O-CA 3.38Å; I159-Y166 PolarHBondContact N-O 3.04Å; I159-Y166 PolarHBondContact O-N 2.96Å; I159-L168 HydrophobicContact CB-CD2 4.15Å; I159-L168 HydrophobicContact CG2-CD2 3.74Å
160	Q	98	Very high	92.2	Very high	83 Å²	83	79.9 Å²	79.9	39%	0.388	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.4	166.6	-179	177.6	-51.6	0	0	108.4	L146 K164	L146-Q160 WeakPolarHBondContact CB-O 3.47Å; L146-Q160 PolarHBondContact O-N 2.68Å; Q160-K164 CarbonylContact C-O 3.58Å; Q160-K164 WeakPolarHBondContact CA-O 3.18Å
161	W	97.2	Very high	92.6	Very high	23 Å²	23	81.3 Å²	81.3	9%	0.087	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.7	176.7	-166	-96.2	0	0	0	109.7	V84 H86 D92 F107 P109 I143 L146 I159 D163 K164 Y166	V84-W161 HydrophobicContact CG1-CH2 4.22Å; V84-W161 HydrophobicContact CG1-CZ2 3.93Å; V84-W161 HydrophobicContact CG2-CH2 4.04Å; V84-W161 HydrophobicContact CG2-CZ2 4.49Å; H86-W161 AromaticContact CE1-CZ2 3.83Å; D92-W161 PolarHBondContact OD2-NE1 2.96Å; F107-W161 AromaticContact CD1-CE2 3.94Å; F107-W161 HydrophobicContact CD1-CH2 4.26Å; F107-W161 AromaticContact CD1-CZ2 3.78Å; F107-W161 HydrophobicContact CD1-CZ2 3.78Å; F107-W161 AromaticContact CE1-CD2 3.79Å; F107-W161 HydrophobicContact CE1-CD2 3.79Å; F107-W161 AromaticContact CE1-CE2 3.52Å; F107-W161 AromaticContact CE1-CE3 3.89Å; F107-W161 HydrophobicContact CE1-CE3 3.89Å; F107-W161 AromaticContact CE1-CH2 3.53Å; F107-W161 HydrophobicContact CE1-CH2 3.53Å; F107-W161 AromaticContact CE1-CZ2 3.41Å; F107-W161 HydrophobicContact CE1-CZ2 3.41Å; F107-W161 VanDerWaalsContact CE1-CZ2 3.41Å; F107-W161 AromaticContact CE1-CZ3 3.75Å; F107-W161 HydrophobicContact CE1-CZ3 3.75Å; F107-W161 HydrophobicContact CZ-CE3 4.44Å; F107-W161 HydrophobicContact CZ-CH2 4.39Å; F107-W161 HydrophobicContact CZ-CZ3 4.3Å; P109-W161 HydrophobicContact CB-CB 3.83Å; P109-W161 HydrophobicContact CB-CD2 4.18Å; P109-W161 HydrophobicContact CB-CE3 4.46Å; P109-W161 HydrophobicContact CB-CG 3.88Å; P109-W161 HydrophobicContact CG-CB 3.68Å; P109-W161 HydrophobicContact CG-CD2 4.49Å; P109-W161 HydrophobicContact CG-CG 3.76Å; I143-W161 HydrophobicContact CG1-CZ3 4.4Å; L146-W161 HydrophobicContact CD1-CE3 3.65Å; L146-W161 HydrophobicContact CD1-CZ3 3.54Å; I159-W161 HydrophobicContact CD1-CE3 4.17Å; W161-D163 PolarHBondContact O-N 3Å; W161-K164 PolarHBondContact N-O 2.88Å; W161-K164 PolarHBondContact O-N 2.8Å; W161-K164 VanDerWaalsContact O-N 3.12Å; W161-Y166 HydrophobicContact CB-CD2 4.03Å; W161-Y166 HydrophobicContact CB-CE2 3.9Å
162	R	94.1	Very high	93.4	Very high	111 Å²	111	74.4 Å²	74.4	42%	0.419	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-131.2	-167.2	-57.8	170.7	168.8	-131.8	5.2	109.4	A87 D92 K164	A87-R162 PolarHBondContact O-NH2 2.86Å; D92-R162 IonicContact OD1-CZ 3.92Å; D92-R162 IonicContact OD1-NE 3.28Å; D92-R162 IonicContact OD1-NH2 2.78Å; D92-R162 PolarHBondContact OD1-NH2 3.2Å; D92-R162 IonicContact OD2-CZ 3.65Å; D92-R162 IonicContact OD2-NE 3.17Å; D92-R162 PolarHBondContact OD2-NE 2.82Å; D92-R162 IonicContact OD2-NH2 3.48Å; D92-R162 PolarHBondContact OD2-NH2 3.41Å; R162-K164 VanDerWaalsContact C-N 3.27Å; R162-K164 PolarHBondContact O-N 3.48Å
163	D	93.7	Very high	94.5	Very high	169 Å²	169	68.8 Å²	68.8	90%	0.904	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	10.4	-178.6	-51	-50	0	0	0	113.7	W161	W161-D163 PolarHBondContact O-N 3Å
164	K	96.5	Very high	95.3	Very high	134 Å²	134	73.8 Å²	73.8	58%	0.583	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	150.4	-174.5	-69.2	-179.8	-180	178.4	0	111.7	Q160 W161 R162 Y166	Q160-K164 CarbonylContact C-O 3.58Å; Q160-K164 WeakPolarHBondContact CA-O 3.18Å; W161-K164 PolarHBondContact N-O 2.88Å; W161-K164 PolarHBondContact O-N 2.8Å; W161-K164 VanDerWaalsContact O-N 3.12Å; R162-K164 VanDerWaalsContact C-N 3.27Å; R162-K164 PolarHBondContact O-N 3.48Å; K164-Y166 HydrophobicContact CB-CD2 4.22Å; K164-Y166 HydrophobicContact CB-CE2 3.47Å; K164-Y166 VanDerWaalsContact CB-CE2 3.47Å; K164-Y166 WeakPolarHBondContact CD-OH 3.22Å
165	V	98	Very high	95.8	Very high	69 Å²	69	68.4 Å²	68.4	42%	0.418	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.1	173.5	-177	0	0	0	0	107.7	H158 I159	H158-V165 HydrophobicContact CB-CG1 3.92Å; I159-V165 WeakPolarHBondContact O-CA 3.38Å
166	Y	98.2	Very high	95.9	Very high	68 Å²	68	65.7 Å²	65.7	27%	0.267	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.9	-178.1	-64.1	-94.9	0	0	0	109.9	P109 Q110 H158 I159 W161 K164	P109-Y166 HydrophobicContact CG-CD1 4.43Å; P109-Y166 HydrophobicContact CG-CD2 3.74Å; P109-Y166 HydrophobicContact CG-CE1 4.46Å; P109-Y166 HydrophobicContact CG-CE2 3.8Å; P109-Y166 HydrophobicContact CG-CG 4.08Å; Q110-Y166 HydrophobicContact CB-CD1 4.41Å; H158-Y166 CarbonylContact C-O 3.51Å; H158-Y166 WeakPolarHBondContact CA-O 3.47Å; H158-Y166 VanDerWaalsContact CB-O 3.31Å; H158-Y166 WeakPolarHBondContact CB-O 3.46Å; I159-Y166 PolarHBondContact N-O 3.04Å; I159-Y166 PolarHBondContact O-N 2.96Å; W161-Y166 HydrophobicContact CB-CD2 4.03Å; W161-Y166 HydrophobicContact CB-CE2 3.9Å; K164-Y166 HydrophobicContact CB-CD2 4.22Å; K164-Y166 HydrophobicContact CB-CE2 3.47Å; K164-Y166 VanDerWaalsContact CB-CE2 3.47Å; K164-Y166 WeakPolarHBondContact CD-OH 3.22Å
167	L	97.9	Very high	95.3	Very high	117 Å²	117	68.2 Å²	68.2	61%	0.613	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	130	166.9	-180	70.7	0	0	0	108.7	Q110 T157	Q110-L167 WeakPolarHBondContact CB-O 3.35Å; T157-L167 WeakPolarHBondContact O-CD1 3.47Å
168	L	98.1	Very high	93.8	Very high	8 Å²	8	69.9 Å²	69.9	4%	0.042	36%	0.358	C	S	.	.			trans	-71.8	131.2	177.5	-65.3	174.5	0	0	0	110.5	Q110 L112 F147 P156 T157 I159 N170	Q110-L168 CarbonylContact O-C 3.58Å; Q110-L168 WeakPolarHBondContact O-CA 3.49Å; L112-L168 HydrophobicContact CB-CD2 4.36Å; F147-L168 HydrophobicContact CD1-CD1 3.97Å; F147-L168 HydrophobicContact CE1-CD1 3.84Å; F147-L168 HydrophobicContact CE1-CD2 4.09Å; P156-L168 HydrophobicContact CB-CD1 3.82Å; P156-L168 HydrophobicContact CG-CD1 3.77Å; P156-L168 WeakPolarHBondContact O-CD1 3.39Å; T157-L168 PolarHBondContact O-N 2.91Å; I159-L168 HydrophobicContact CB-CD2 4.15Å; I159-L168 HydrophobicContact CG2-CD2 3.74Å; L168-N170 VanDerWaalsContact C-N 3.32Å
169	T	97.6	Very high	92	Very high	69 Å²	69	69.8 Å²	69.8	42%	0.423	36%	0.364	S	S	.	.			trans	-75.2	-25.8	-177.1	66.5	0	0	0	0	112.3	Q110 E171	Q110-T169 HydrophobicContact CB-CG2 4.2Å; Q110-T169 HydrophobicContact CG-CG2 3.91Å; Q110-T169 PolarHBondContact O-N 2.96Å; Q110-T169 PolarHBondContact O-OG1 2.9Å; T169-E171 PolarHBondContact O-N 2.91Å; T169-E171 PolarHBondContact OG1-N 3.16Å
170	N	95.9	Very high	89.9	Confident	52 Å²	52	75.2 Å²	75.2	28%	0.278	39%	0.388	S	S	.	.			trans	51.3	26.6	-175.5	-66.3	-47.8	0	0	0	113.7	F113 L168 L172 S173	F113-N170 HydrophobicContact CD2-CB 4.43Å; L168-N170 VanDerWaalsContact C-N 3.32Å; N170-L172 PolarHBondContact O-N 2.77Å; N170-S173 VanDerWaalsContact O-CB 3.24Å; N170-S173 WeakPolarHBondContact O-CB 3.13Å; N170-S173 PolarHBondContact O-N 3.04Å; N170-S173 VanDerWaalsContact O-N 3.09Å; N170-S173 PolarHBondContact O-OG 3.05Å
171	E	96	Very high	87.5	Confident	75 Å²	75	79.9 Å²	79.9	35%	0.35	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-33	-174.4	66.4	-177.3	-176.8	0	0	113	R111 P124 T169 S173	R111-E171 IonicContact CZ-OE1 3Å; R111-E171 VanDerWaalsContact CZ-OE1 3.28Å; R111-E171 IonicContact NE-OE1 2.96Å; R111-E171 PolarHBondContact NE-OE1 3.46Å; R111-E171 IonicContact NH2-OE1 3.85Å; R111-E171 PolarHBondContact NH2-OE1 3.24Å; P124-E171 VanDerWaalsContact CG-OE1 3.27Å; P124-E171 WeakPolarHBondContact CG-OE1 3.31Å; T169-E171 PolarHBondContact O-N 2.91Å; T169-E171 PolarHBondContact OG1-N 3.16Å; E171-S173 PolarHBondContact O-N 3.26Å
172	L	96.5	Very high	85	Confident	9 Å²	9	83.4 Å²	83.4	5%	0.047	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-15.6	-179.2	-61.4	178.9	0	0	0	113.2	F113 P124 V132 N170 K174 I175 F176	F113-L172 HydrophobicContact CB-CB 3.89Å; F113-L172 HydrophobicContact CB-CD1 3.94Å; F113-L172 HydrophobicContact CB-CG 4.33Å; F113-L172 HydrophobicContact CD1-CB 4.03Å; F113-L172 HydrophobicContact CG-CB 3.92Å; P124-L172 HydrophobicContact CB-CD2 4.48Å; P124-L172 HydrophobicContact CG-CD1 4.17Å; P124-L172 HydrophobicContact CG-CD2 4.15Å; P124-L172 HydrophobicContact CG-CG 4.33Å; V132-L172 HydrophobicContact CB-CD2 4.4Å; V132-L172 HydrophobicContact CG2-CD1 3.98Å; N170-L172 PolarHBondContact O-N 2.77Å; L172-K174 PolarHBondContact O-N 3.4Å; L172-I175 HydrophobicContact CD2-CD1 3.84Å; L172-I175 WeakPolarHBondContact O-CB 3.35Å; L172-I175 PolarHBondContact O-N 3.04Å; L172-F176 HydrophobicContact CB-CE2 4.45Å; L172-F176 VanDerWaalsContact O-CD2 3.31Å; L172-F176 WeakPolarHBondContact O-CD2 3.49Å
173	S	94.4	Very high	82.4	Confident	50 Å²	50	85 Å²	85	35%	0.35	45%	0.451	S	S	.	.	H	α-helix	trans	-52.3	-31	178.1	60.3	0	0	0	0	113.1	N170 E171 I175 F176 A177	N170-S173 VanDerWaalsContact O-CB 3.24Å; N170-S173 WeakPolarHBondContact O-CB 3.13Å; N170-S173 PolarHBondContact O-N 3.04Å; N170-S173 VanDerWaalsContact O-N 3.09Å; N170-S173 PolarHBondContact O-OG 3.05Å; E171-S173 PolarHBondContact O-N 3.26Å; S173-I175 VanDerWaalsContact C-N 3.31Å; S173-I175 PolarHBondContact O-N 3.5Å; S173-F176 PolarHBondContact O-N 3.22Å; S173-A177 WeakPolarHBondContact O-CB 3.45Å; S173-A177 PolarHBondContact O-N 3.4Å
174	K	92.7	Very high	79.6	Confident	161 Å²	161	88.9 Å²	88.9	70%	0.7	46%	0.463	S	S	*	.	H	α-helix	trans	-61.7	-35.3	177.4	-62.5	174.8	-175.3	172.1	0	113	L172 F176 S178	L172-K174 PolarHBondContact O-N 3.4Å; K174-F176 VanDerWaalsContact C-N 3.34Å; K174-S178 PolarHBondContact O-N 2.9Å; K174-S178 VanDerWaalsContact O-N 3.12Å; K174-S178 PolarHBondContact O-OG 2.93Å
175	I	91.9	Very high	78.7	Confident	47 Å²	47	86.7 Å²	86.7	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-70.5	-34.7	178.6	-57.7	174.7	0	0	0	110.5	V132 L172 S173 S178 S179	V132-I175 HydrophobicContact CB-CD1 4.05Å; V132-I175 HydrophobicContact CG1-CD1 4.19Å; V132-I175 HydrophobicContact CG1-CG2 4.11Å; L172-I175 HydrophobicContact CD2-CD1 3.84Å; L172-I175 WeakPolarHBondContact O-CB 3.35Å; L172-I175 PolarHBondContact O-N 3.04Å; S173-I175 VanDerWaalsContact C-N 3.31Å; S173-I175 PolarHBondContact O-N 3.5Å; I175-S178 PolarHBondContact O-OG 2.84Å; I175-S179 PolarHBondContact O-OG 2.91Å
176	F	89.3	Confident	77.7	Confident	28 Å²	28	87.6 Å²	87.6	12%	0.123	46%	0.459	C	S	.	.	H	α-helix	trans	-83.8	-29.5	179.1	-65.4	-90	0	0	0	112.2	F113 Y122 V132 L172 S173 K174	F113-F176 AromaticContact CD1-CD2 3.93Å; F113-F176 HydrophobicContact CD1-CD2 3.93Å; F113-F176 AromaticContact CD1-CE2 3.71Å; F113-F176 HydrophobicContact CD1-CE2 3.71Å; F113-F176 HydrophobicContact CD1-CZ 4.47Å; F113-F176 AromaticContact CE1-CD2 3.33Å; F113-F176 HydrophobicContact CE1-CD2 3.33Å; F113-F176 AromaticContact CE1-CE2 3.55Å; F113-F176 HydrophobicContact CE1-CE2 3.55Å; F113-F176 AromaticContact CE1-CG 3.94Å; F113-F176 HydrophobicContact CE1-CG 3.94Å; F113-F176 HydrophobicContact CE1-CZ 4.29Å; F113-F176 HydrophobicContact CZ-CD2 4.12Å; Y122-F176 AromaticContact CD1-CZ 3.83Å; Y122-F176 HydrophobicContact CD1-CZ 3.83Å; Y122-F176 HydrophobicContact CD2-CE1 4.14Å; Y122-F176 HydrophobicContact CD2-CE2 4.22Å; Y122-F176 AromaticContact CD2-CZ 3.53Å; Y122-F176 HydrophobicContact CD2-CZ 3.53Å; Y122-F176 HydrophobicContact CE1-CE1 4.3Å; Y122-F176 AromaticContact CE1-CZ 3.94Å; Y122-F176 HydrophobicContact CE1-CZ 3.94Å; Y122-F176 AromaticContact CE2-CE1 3.77Å; Y122-F176 HydrophobicContact CE2-CE1 3.77Å; Y122-F176 AromaticContact CE2-CZ 3.63Å; Y122-F176 HydrophobicContact CE2-CZ 3.63Å; Y122-F176 HydrophobicContact CG-CE2 4.27Å; Y122-F176 AromaticContact CG-CZ 3.64Å; Y122-F176 HydrophobicContact CG-CZ 3.64Å; Y122-F176 AromaticContact CZ-CE1 3.86Å; Y122-F176 AromaticContact CZ-CZ 3.84Å; V132-F176 HydrophobicContact CG2-CE2 4.25Å; V132-F176 HydrophobicContact CG2-CZ 4.28Å; L172-F176 HydrophobicContact CB-CE2 4.45Å; L172-F176 VanDerWaalsContact O-CD2 3.31Å; L172-F176 WeakPolarHBondContact O-CD2 3.49Å; S173-F176 PolarHBondContact O-N 3.22Å; K174-F176 VanDerWaalsContact C-N 3.34Å
177	A	84.1	Confident	76.6	Confident	58 Å²	58	88.7 Å²	88.7	48%	0.479	47%	0.47	S	S	.	.	H	α-helix	trans	-70.9	-38.4	174.1	0	0	0	0	0	112.6	S173 S179 K180	S173-A177 WeakPolarHBondContact O-CB 3.45Å; S173-A177 PolarHBondContact O-N 3.4Å; A177-S179 PolarHBondContact O-N 3.41Å; A177-K180 PolarHBondContact O-N 3.22Å; A177-K180 VanDerWaalsContact O-N 3.16Å
178	S	64.8	Low	75.3	Confident	70 Å²	70	87 Å²	87	49%	0.49	46%	0.462	S	S	.	.	H	α-helix	trans	-63.9	-32.2	176.7	58.4	0	0	0	0	112.2	K174 I175 K180 K181	K174-S178 PolarHBondContact O-N 2.9Å; K174-S178 VanDerWaalsContact O-N 3.12Å; K174-S178 PolarHBondContact O-OG 2.93Å; I175-S178 PolarHBondContact O-OG 2.84Å; S178-K180 PolarHBondContact O-N 2.87Å; S178-K181 PolarHBondContact O-N 3.12Å
179	S	58.6	Low	73.9	Confident	64 Å²	64	91.9 Å²	91.9	45%	0.448	49%	0.488	S	S	.	.	H	α-helix	trans	-65.3	-23.5	176	-57.5	0	0	0	0	113.1	I175 A177	I175-S179 PolarHBondContact O-OG 2.91Å; A177-S179 PolarHBondContact O-N 3.41Å
180	K	54.9	Low	72.3	Confident	115 Å²	115	93.5 Å²	93.5	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-77.1	-26.9	177.4	-66.4	-174.3	178.7	-174.4	0	113	D117 A177 S178 S182	D117-K180 IonicContact OD1-NZ 2.86Å; D117-K180 PolarHBondContact OD1-NZ 2.86Å; D117-K180 WeakPolarHBondContact OD2-CE 3.4Å; D117-K180 IonicContact OD2-NZ 3.96Å; D117-K180 PolarHBondContact OD2-NZ 3.4Å; A177-K180 PolarHBondContact O-N 3.22Å; A177-K180 VanDerWaalsContact O-N 3.16Å; S178-K180 PolarHBondContact O-N 2.87Å; K180-S182 VanDerWaalsContact C-N 3.27Å; K180-S182 PolarHBondContact O-N 3.4Å
181	K	46.5	Very low	70.7	Confident	181 Å²	181	96.4 Å²	96.4	79%	0.787	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-10.1	-179.3	-71.4	-170.4	178.3	-175.9	0	114	S178 I183	S178-K181 PolarHBondContact O-N 3.12Å; K181-I183 VanDerWaalsContact C-N 3.33Å
182	S	45	Very low	68.7	Low	97 Å²	97	98.1 Å²	98.1	68%	0.678	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.8	177.7	-38.4	0	0	0	0	113.6	K180	K180-S182 VanDerWaalsContact C-N 3.27Å; K180-S182 PolarHBondContact O-N 3.4Å
183	I	39.5	Very low	66.4	Low	145 Å²	145	105.5 Å²	105.5	74%	0.744	56%	0.559	S	S	*	*			trans	-123.5	58.1	-178.2	-42.7	175.6	0	0	0	109	K181	K181-I183 VanDerWaalsContact C-N 3.33Å
184	Q	35.1	Very low	63.8	Low	250 Å²	250	110.5 Å²	110.5	100%	1.168	58%	0.578	S	S	*	*			trans	-144	0	160.2	-75.6	-168.7	-35.5	0	0	107.5

Retrieved 184 of 184 residues in 363.7 ms (Link to these results)

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