X5J4U6_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4U6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 96 aa.

						>X5J4U6_MOUSE|X5J4U6
FDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCARDYGSSHWFFDVWGAGTTVTVSSES
					

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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	F	72.1	Confident	90.9	Very high	150 Å²	150	52.8 Å²	52.8	66%	0.658	23%	0.234	S	C	*	.				0	129.1	0	163.8	-124.9	0	0	0	107.6	F3 Y6 M8 R72	F1-F3 HydrophobicContact CD1-CB 4.32Å; F1-F3 HydrophobicContact CE1-CB 3.7Å; F1-F3 AromaticContact CE1-CD2 3.9Å; F1-F3 HydrophobicContact CE1-CD2 3.9Å; F1-F3 HydrophobicContact CE1-CG 4.3Å; F1-F3 VanDerWaalsContact CZ-CA 3.48Å; F1-F3 HydrophobicContact CZ-CB 4.01Å; F1-F3 HydrophobicContact CZ-CD2 4.16Å; F1-Y6 HydrophobicContact CD2-CD2 4.46Å; F1-Y6 HydrophobicContact CD2-CE2 4.2Å; F1-Y6 AromaticContact CE2-CD2 3.62Å; F1-Y6 HydrophobicContact CE2-CD2 3.62Å; F1-Y6 AromaticContact CE2-CE2 3.78Å; F1-Y6 HydrophobicContact CE2-CE2 3.78Å; F1-Y6 HydrophobicContact CE2-CG 4.36Å; F1-Y6 HydrophobicContact CZ-CD2 4.38Å; F1-M8 HydrophobicContact CZ-SD 4.31Å; F1-R72 HydrophobicContact CE2-CG 4.38Å; F1-R72 VanDerWaalsContact CE2-NH1 3.3Å
2	D	85.5	Confident	91.4	Very high	69 Å²	69	50.3 Å²	50.3	37%	0.369	22%	0.221	S	C	.	.			trans	-101.4	85.7	178.7	-175.6	-6.5	0	0	0	109.9	S4 R5 Y6	D2-S4 PolarHBondContact O-N 3.33Å; D2-S4 VanDerWaalsContact O-N 3.12Å; D2-S4 PolarHBondContact OD1-N 2.96Å; D2-S4 PolarHBondContact OD1-OG 3.24Å; D2-R5 HydrophobicContact CB-CG 4.49Å; D2-R5 PolarHBondContact O-N 3.21Å; D2-R5 WeakPolarHBondContact OD2-CD 3.46Å; D2-R5 VanDerWaalsContact OD2-CG 3.22Å; D2-R5 WeakPolarHBondContact OD2-CG 3.16Å; D2-Y6 WeakPolarHBondContact O-CD2 3.36Å; D2-Y6 WeakPolarHBondContact O-CE2 3.48Å
3	F	90.4	Very high	91.9	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.026	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-52.1	-34.5	-178.4	176.7	-96.6	0	0	0	112.7	F1 R5 Y6 M8 R46 N48 N51 T52 L53	F1-F3 HydrophobicContact CD1-CB 4.32Å; F1-F3 HydrophobicContact CE1-CB 3.7Å; F1-F3 AromaticContact CE1-CD2 3.9Å; F1-F3 HydrophobicContact CE1-CD2 3.9Å; F1-F3 HydrophobicContact CE1-CG 4.3Å; F1-F3 VanDerWaalsContact CZ-CA 3.48Å; F1-F3 HydrophobicContact CZ-CB 4.01Å; F1-F3 HydrophobicContact CZ-CD2 4.16Å; F3-R5 PolarHBondContact O-N 3.09Å; F3-R5 VanDerWaalsContact O-N 3.16Å; F3-Y6 PolarHBondContact O-N 3.24Å; F3-M8 HydrophobicContact CD2-CE 4.21Å; F3-M8 HydrophobicContact CD2-CG 4.17Å; F3-M8 HydrophobicContact CD2-SD 3.96Å; F3-M8 HydrophobicContact CE2-CE 3.9Å; F3-M8 HydrophobicContact CE2-CG 3.66Å; F3-M8 HydrophobicContact CE2-SD 3.92Å; F3-M8 HydrophobicContact CZ-CG 4.02Å; F3-R46 VanDerWaalsContact CD1-NH2 3.33Å; F3-R46 HydrophobicContact CE1-CB 4.11Å; F3-R46 VanDerWaalsContact CE1-NH2 3.31Å; F3-R46 HydrophobicContact CZ-CB 4.07Å; F3-R46 PolarHBondContact O-NH2 2.98Å; F3-N48 WeakPolarHBondContact CD1-OD1 3.33Å; F3-N48 VanDerWaalsContact CE1-OD1 3.32Å; F3-N48 WeakPolarHBondContact CE1-OD1 3.39Å; F3-N51 HydrophobicContact CB-CB 3.87Å; F3-N51 WeakPolarHBondContact CB-OD1 3.48Å; F3-N51 HydrophobicContact CD1-CB 4.45Å; F3-N51 HydrophobicContact CG-CB 4.12Å; F3-T52 VanDerWaalsContact CZ-C 3.46Å; F3-T52 WeakPolarHBondContact CZ-O 3.37Å; F3-L53 HydrophobicContact CE2-CB 4.12Å; F3-L53 HydrophobicContact CZ-CB 4.07Å
4	S	91.4	Very high	92.3	Very high	47 Å²	47	49.8 Å²	49.8	33%	0.329	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-67.4	-15.4	-173.7	77.1	0	0	0	0	114.4	D2 P27	D2-S4 PolarHBondContact O-N 3.33Å; D2-S4 VanDerWaalsContact O-N 3.12Å; D2-S4 PolarHBondContact OD1-N 2.96Å; D2-S4 PolarHBondContact OD1-OG 3.24Å; S4-P27 VanDerWaalsContact O-CB 3.28Å; S4-P27 WeakPolarHBondContact O-CB 3.3Å
5	R	90.8	Very high	92.5	Very high	184 Å²	184	53.4 Å²	53.4	69%	0.694	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-98.7	-5.9	-175.9	-63.6	-173.2	85.1	165.5	11	114.8	D2 F3	D2-R5 HydrophobicContact CB-CG 4.49Å; D2-R5 PolarHBondContact O-N 3.21Å; D2-R5 WeakPolarHBondContact OD2-CD 3.46Å; D2-R5 VanDerWaalsContact OD2-CG 3.22Å; D2-R5 WeakPolarHBondContact OD2-CG 3.16Å; F3-R5 PolarHBondContact O-N 3.09Å; F3-R5 VanDerWaalsContact O-N 3.16Å
6	Y	91.3	Very high	92.7	Very high	33 Å²	33	55.6 Å²	55.6	13%	0.129	30%	0.298	C	S	.	.	S	Bend	trans	-113.9	152.8	-173.3	-59.5	-96.3	0	0	0	112.3	F1 D2 F3 R46 R72 Y74	F1-Y6 HydrophobicContact CD2-CD2 4.46Å; F1-Y6 HydrophobicContact CD2-CE2 4.2Å; F1-Y6 AromaticContact CE2-CD2 3.62Å; F1-Y6 HydrophobicContact CE2-CD2 3.62Å; F1-Y6 AromaticContact CE2-CE2 3.78Å; F1-Y6 HydrophobicContact CE2-CE2 3.78Å; F1-Y6 HydrophobicContact CE2-CG 4.36Å; F1-Y6 HydrophobicContact CZ-CD2 4.38Å; D2-Y6 WeakPolarHBondContact O-CD2 3.36Å; D2-Y6 WeakPolarHBondContact O-CE2 3.48Å; F3-Y6 PolarHBondContact O-N 3.24Å; Y6-R46 PolarHBondContact O-NH1 3.27Å; Y6-R72 VanDerWaalsContact CD1-CD 3.44Å; Y6-R72 HydrophobicContact CD1-CG 3.62Å; Y6-R72 HydrophobicContact CD2-CG 4.41Å; Y6-R72 HydrophobicContact CE1-CG 4.4Å; Y6-R72 VanDerWaalsContact CG-CD 3.44Å; Y6-R72 HydrophobicContact CG-CG 3.62Å; Y6-Y74 HydrophobicContact CD1-CD1 4.48Å; Y6-Y74 HydrophobicContact CD1-CD2 4.21Å; Y6-Y74 HydrophobicContact CD1-CE1 4.4Å; Y6-Y74 HydrophobicContact CD1-CE2 4.16Å; Y6-Y74 HydrophobicContact CD1-CG 4.39Å; Y6-Y74 HydrophobicContact CE1-CD1 4.35Å; Y6-Y74 AromaticContact CE1-CD2 3.9Å; Y6-Y74 HydrophobicContact CE1-CD2 3.9Å; Y6-Y74 AromaticContact CE1-CE1 3.87Å; Y6-Y74 HydrophobicContact CE1-CE1 3.87Å; Y6-Y74 AromaticContact CE1-CE2 3.39Å; Y6-Y74 HydrophobicContact CE1-CE2 3.39Å; Y6-Y74 HydrophobicContact CE1-CG 4.36Å; Y6-Y74 AromaticContact CE1-CZ 3.35Å; Y6-Y74 AromaticContact CZ-CZ 3.99Å; Y6-Y74 PolarHBondContact OH-OH 3.18Å
7	W	93.7	Very high	92.8	Very high	47 Å²	47	61 Å²	61	18%	0.178	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	143.8	161.1	-73.5	64.7	0	0	0	108.3	E24 I25 N26 T31 D73 G75	W7-E24 HydrophobicContact CE3-CB 4.3Å; W7-E24 HydrophobicContact CE3-CG 3.49Å; W7-E24 VanDerWaalsContact CE3-CG 3.49Å; W7-E24 HydrophobicContact CZ3-CG 3.66Å; W7-I25 WeakPolarHBondContact CA-O 3.31Å; W7-N26 HydrophobicContact CD2-CB 3.67Å; W7-N26 HydrophobicContact CE3-CB 3.88Å; W7-N26 HydrophobicContact CG-CB 4.41Å; W7-N26 HydrophobicContact CH2-CB 3.64Å; W7-N26 HydrophobicContact CZ2-CB 3.36Å; W7-N26 HydrophobicContact CZ3-CB 3.88Å; W7-T31 HydrophobicContact CH2-CG2 3.95Å; W7-T31 HydrophobicContact CZ3-CG2 4.45Å; W7-D73 PolarHBondContact N-O 2.86Å; W7-D73 VanDerWaalsContact N-O 3.07Å; W7-D73 PolarHBondContact O-N 2.8Å; W7-G75 VanDerWaalsContact CD1-CA 3.41Å
8	M	95	Very high	93	Very high	12 Å²	12	60.7 Å²	60.7	6%	0.059	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.7	-176.2	-63.8	-58.1	-51	0	0	108.7	F1 F3 E24 I25 L53 R72	F1-M8 HydrophobicContact CZ-SD 4.31Å; F3-M8 HydrophobicContact CD2-CE 4.21Å; F3-M8 HydrophobicContact CD2-CG 4.17Å; F3-M8 HydrophobicContact CD2-SD 3.96Å; F3-M8 HydrophobicContact CE2-CE 3.9Å; F3-M8 HydrophobicContact CE2-CG 3.66Å; F3-M8 HydrophobicContact CE2-SD 3.92Å; F3-M8 HydrophobicContact CZ-CG 4.02Å; M8-E24 CarbonylContact O-C 3.57Å; M8-E24 WeakPolarHBondContact O-CA 3.37Å; M8-I25 HydrophobicContact CB-CG2 4.24Å; M8-I25 PolarHBondContact N-O 3.09Å; M8-I25 PolarHBondContact O-N 3.2Å; M8-L53 HydrophobicContact CB-CD1 3.65Å; M8-L53 HydrophobicContact CB-CD2 3.86Å; M8-L53 HydrophobicContact CB-CG 4.27Å; M8-R72 HydrophobicContact CE-CB 4.35Å; M8-R72 HydrophobicContact SD-CB 4.15Å; M8-R72 HydrophobicContact SD-CG 4.16Å
9	S	95.6	Very high	93.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	152.4	-176.3	-82	0	0	0	0	112.1	W21 G23 E24 C70 A71 F81	S9-W21 PolarHBondContact OG-NE1 3.03Å; S9-G23 CarbonylContact C-O 3.54Å; S9-G23 WeakPolarHBondContact CA-O 3.35Å; S9-E24 VanDerWaalsContact OG-CB 3.24Å; S9-E24 WeakPolarHBondContact OG-CB 3.19Å; S9-C70 CarbonylContact O-C 3.45Å; S9-C70 VanDerWaalsContact O-CA 3.31Å; S9-C70 WeakPolarHBondContact O-CA 3.32Å; S9-A71 PolarHBondContact N-O 3.16Å; S9-A71 PolarHBondContact O-N 3.43Å; S9-F81 VanDerWaalsContact CB-CE1 3.44Å; S9-F81 VanDerWaalsContact OG-CE1 3.25Å; S9-F81 WeakPolarHBondContact OG-CE1 3.28Å
10	W	97.4	Very high	93.2	Very high	30 Å²	30	63 Å²	63	11%	0.114	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.8	160.7	-78	103.5	0	0	0	110.1	I22 G23 L53 Y54 L55 Y69 C70	W10-I22 HydrophobicContact CB-CB 4.08Å; W10-I22 HydrophobicContact CB-CD1 4.12Å; W10-I22 WeakPolarHBondContact O-CB 3.45Å; W10-I22 PolarHBondContact O-N 2.79Å; W10-G23 PolarHBondContact N-O 3.23Å; W10-L53 HydrophobicContact CD2-CD2 4.22Å; W10-L53 HydrophobicContact CG-CD2 4.24Å; W10-L53 HydrophobicContact CZ2-CD2 4.14Å; W10-L53 HydrophobicContact CZ2-CG 4.24Å; W10-L53 VanDerWaalsContact NE1-CD2 3.27Å; W10-L53 VanDerWaalsContact NE1-CG 3.34Å; W10-Y54 PolarHBondContact NE1-O 2.82Å; W10-Y54 VanDerWaalsContact NE1-O 3.14Å; W10-L55 HydrophobicContact CB-CD1 4.24Å; W10-L55 HydrophobicContact CB-CD2 4.44Å; W10-L55 HydrophobicContact CD2-CB 3.88Å; W10-L55 HydrophobicContact CD2-CD1 4.49Å; W10-L55 HydrophobicContact CD2-CD2 4.1Å; W10-L55 HydrophobicContact CD2-CG 4.4Å; W10-L55 HydrophobicContact CE3-CB 4.5Å; W10-L55 HydrophobicContact CE3-CD2 4.27Å; W10-L55 HydrophobicContact CG-CB 4.15Å; W10-L55 HydrophobicContact CG-CD1 3.92Å; W10-L55 HydrophobicContact CG-CD2 4.17Å; W10-L55 HydrophobicContact CG-CG 4.32Å; W10-L55 HydrophobicContact CZ2-CB 3.95Å; W10-Y69 WeakPolarHBondContact CA-O 3.41Å; W10-Y69 VanDerWaalsContact CE3-C 3.46Å; W10-C70 HydrophobicContact CD2-CB 4.46Å; W10-C70 HydrophobicContact CE3-CB 4.26Å; W10-C70 HydrophobicContact CH2-CB 4.06Å; W10-C70 HydrophobicContact CZ2-CB 4.28Å; W10-C70 HydrophobicContact CZ3-CB 4.05Å
11	V	96.8	Very high	93.3	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.018	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.5	177.7	-178.9	0	0	0	0	107.7	L19 E20 Y69 F81 W84	V11-L19 HydrophobicContact CG1-CB 3.9Å; V11-L19 HydrophobicContact CG1-CD2 4.05Å; V11-L19 HydrophobicContact CG1-CG 4.45Å; V11-E20 CarbonylContact C-O 3.41Å; V11-E20 WeakPolarHBondContact CA-O 3.42Å; V11-E20 WeakPolarHBondContact CG1-O 3.38Å; V11-Y69 PolarHBondContact N-O 2.84Å; V11-Y69 PolarHBondContact O-N 2.99Å; V11-F81 HydrophobicContact CG2-CE2 4.12Å; V11-F81 HydrophobicContact CG2-CZ 4.3Å; V11-W84 HydrophobicContact CB-CH2 4.05Å; V11-W84 HydrophobicContact CB-CZ3 3.71Å; V11-W84 HydrophobicContact CG1-CH2 3.94Å; V11-W84 HydrophobicContact CG1-CZ3 3.89Å; V11-W84 HydrophobicContact CG2-CH2 3.78Å; V11-W84 HydrophobicContact CG2-CZ3 3.8Å
12	R	97.1	Very high	94.5	Very high	22 Å²	22	56.3 Å²	56.3	8%	0.083	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	156.6	172.6	67.5	177.1	-170.5	176.8	1.4	112.8	E20 I22 D64 A66 L67 Y68	R12-E20 HydrophobicContact CG-CB 4.19Å; R12-E20 IonicContact CZ-OE2 2.82Å; R12-E20 VanDerWaalsContact CZ-OE2 3.22Å; R12-E20 PolarHBondContact N-O 2.78Å; R12-E20 IonicContact NE-OE2 3.92Å; R12-E20 PolarHBondContact NE-OE2 2.84Å; R12-E20 IonicContact NH2-OE1 3.16Å; R12-E20 IonicContact NH2-OE2 2.64Å; R12-E20 PolarHBondContact NH2-OE2 2.88Å; R12-E20 PolarHBondContact O-N 3.09Å; R12-I22 HydrophobicContact CB-CD1 3.93Å; R12-I22 HydrophobicContact CB-CG1 4.44Å; R12-I22 HydrophobicContact CG-CD1 4.05Å; R12-I22 HydrophobicContact CG-CG1 4.08Å; R12-D64 IonicContact CZ-OD1 3.63Å; R12-D64 IonicContact NH1-OD1 2.92Å; R12-D64 PolarHBondContact NH1-OD1 2.99Å; R12-A66 HydrophobicContact CB-CB 4.01Å; R12-L67 CarbonylContact C-O 3.57Å; R12-L67 WeakPolarHBondContact CA-O 3.22Å; R12-Y68 HydrophobicContact CB-CD1 3.92Å; R12-Y68 HydrophobicContact CB-CE1 3.85Å; R12-Y68 HydrophobicContact CB-CG 4.32Å
13	Q	97.7	Very high	94.9	Very high	68 Å²	68	53 Å²	53	32%	0.318	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	104	173.1	-165.1	178	19.7	0	0	109.7	K17 L19 A66 L67 Y69	Q13-K17 WeakPolarHBondContact CG-O 3.47Å; Q13-K17 PolarHBondContact NE2-O 2.79Å; Q13-L19 HydrophobicContact CB-CD2 4.03Å; Q13-L19 HydrophobicContact CG-CD2 4.33Å; Q13-A66 WeakPolarHBondContact O-CA 3.35Å; Q13-A66 WeakPolarHBondContact O-CB 2.94Å; Q13-L67 HydrophobicContact CB-CB 4.42Å; Q13-L67 PolarHBondContact N-O 3.23Å; Q13-L67 PolarHBondContact O-N 2.62Å; Q13-Y69 HydrophobicContact CB-CE2 4.14Å
14	A	96.8	Very high	95.2	Very high	26 Å²	26	53 Å²	53	22%	0.215	29%	0.289	C	S	.	.			trans	-71.3	152.1	172.1	0	0	0	0	0	110.5	G16 K17 A66	A14-G16 PolarHBondContact O-N 2.94Å; A14-K17 HydrophobicContact CB-CB 4.14Å; A14-K17 HydrophobicContact CB-CG 4Å; A14-K17 WeakPolarHBondContact O-CB 3.15Å; A14-K17 PolarHBondContact O-N 2.94Å; A14-A66 HydrophobicContact CB-CB 4.47Å
15	P	95.6	Very high	95.4	Very high	104 Å²	104	50.8 Å²	50.8	68%	0.675	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	126.6	177.6	-27	34.9	0	0	0	112.4	K17 T65	P15-K17 PolarHBondContact O-N 2.78Å; P15-T65 WeakPolarHBondContact CD-O 3.5Å
16	G	95.8	Very high	95.6	Very high	88 Å²	88	42.7 Å²	42.7	91%	0.907	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	12	-179.3	0	0	0	0	0	115.2	A14	A14-G16 PolarHBondContact O-N 2.94Å
17	K	95.4	Very high	95.7	Very high	148 Å²	148	42.8 Å²	42.8	64%	0.643	25%	0.249	S	C	*	.			trans	-115.6	161.9	176.5	-58.3	-63.5	-175.9	178.5	0	111.6	Q13 A14 P15	Q13-K17 WeakPolarHBondContact CG-O 3.47Å; Q13-K17 PolarHBondContact NE2-O 2.79Å; A14-K17 HydrophobicContact CB-CB 4.14Å; A14-K17 HydrophobicContact CB-CG 4Å; A14-K17 WeakPolarHBondContact O-CB 3.15Å; A14-K17 PolarHBondContact O-N 2.94Å; P15-K17 PolarHBondContact O-N 2.78Å
18	G	95.3	Very high	95.8	Very high	56 Å²	56	45.8 Å²	45.8	58%	0.577	27%	0.268	S	S	*	.			trans	-72.1	176.9	170	0	0	0	0	0	112.2
19	L	95.1	Very high	95.8	Very high	100 Å²	100	47.6 Å²	47.6	52%	0.524	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	131.4	172	-64.4	174	0	0	0	110.1	V11 Q13 Y69 W84	V11-L19 HydrophobicContact CG1-CB 3.9Å; V11-L19 HydrophobicContact CG1-CD2 4.05Å; V11-L19 HydrophobicContact CG1-CG 4.45Å; Q13-L19 HydrophobicContact CB-CD2 4.03Å; Q13-L19 HydrophobicContact CG-CD2 4.33Å; L19-Y69 HydrophobicContact CD2-CD2 4.49Å; L19-Y69 HydrophobicContact CD2-CE2 4.33Å; L19-W84 HydrophobicContact CD1-CH2 3.9Å; L19-W84 HydrophobicContact CD1-CZ2 4.38Å; L19-W84 HydrophobicContact CD1-CZ3 4.49Å
20	E	95.4	Very high	95.9	Very high	67 Å²	67	51.7 Å²	51.7	31%	0.313	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.6	175	-176.5	-177.6	-159.3	0	0	108.7	V11 R12 L38	V11-E20 CarbonylContact C-O 3.41Å; V11-E20 WeakPolarHBondContact CA-O 3.42Å; V11-E20 WeakPolarHBondContact CG1-O 3.38Å; R12-E20 HydrophobicContact CG-CB 4.19Å; R12-E20 IonicContact CZ-OE2 2.82Å; R12-E20 VanDerWaalsContact CZ-OE2 3.22Å; R12-E20 PolarHBondContact N-O 2.78Å; R12-E20 IonicContact NE-OE2 3.92Å; R12-E20 PolarHBondContact NE-OE2 2.84Å; R12-E20 IonicContact NH2-OE1 3.16Å; R12-E20 IonicContact NH2-OE2 2.64Å; R12-E20 PolarHBondContact NH2-OE2 2.88Å; R12-E20 PolarHBondContact O-N 3.09Å; E20-L38 HydrophobicContact CG-CD1 4.36Å
21	W	95.4	Very high	95.8	Very high	73 Å²	73	53 Å²	53	28%	0.277	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	132.4	174.9	-179.7	80.4	0	0	0	110.4	S9 G23 E24 N33 T35 F81	S9-W21 PolarHBondContact OG-NE1 3.03Å; W21-G23 VanDerWaalsContact CE2-CA 3.49Å; W21-G23 VanDerWaalsContact CZ2-C 3.41Å; W21-G23 PolarHBondContact NE1-O 2.82Å; W21-E24 HydrophobicContact CH2-CG 4.48Å; W21-E24 HydrophobicContact CZ2-CB 3.82Å; W21-E24 HydrophobicContact CZ2-CG 3.67Å; W21-N33 HydrophobicContact CH2-CB 3.75Å; W21-N33 HydrophobicContact CZ2-CB 4.35Å; W21-T35 VanDerWaalsContact CE3-OG1 3.29Å; W21-T35 WeakPolarHBondContact O-CB 3.34Å; W21-T35 PolarHBondContact O-OG1 2.86Å; W21-F81 AromaticContact CD1-CZ 3.65Å
22	I	96.2	Very high	95.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-46.7	179.8	-65.5	168	0	0	0	110.3	W10 R12 Y34 T35 L38 F42 L55 Y68	W10-I22 HydrophobicContact CB-CB 4.08Å; W10-I22 HydrophobicContact CB-CD1 4.12Å; W10-I22 WeakPolarHBondContact O-CB 3.45Å; W10-I22 PolarHBondContact O-N 2.79Å; R12-I22 HydrophobicContact CB-CD1 3.93Å; R12-I22 HydrophobicContact CB-CG1 4.44Å; R12-I22 HydrophobicContact CG-CD1 4.05Å; R12-I22 HydrophobicContact CG-CG1 4.08Å; I22-Y34 WeakPolarHBondContact O-CA 3.38Å; I22-T35 PolarHBondContact O-N 3.16Å; I22-L38 HydrophobicContact CB-CD1 4.44Å; I22-L38 HydrophobicContact CG1-CD1 4.05Å; I22-F42 HydrophobicContact CG2-CB 4.06Å; I22-F42 HydrophobicContact CG2-CD2 3.62Å; I22-F42 HydrophobicContact CG2-CE2 4.46Å; I22-F42 HydrophobicContact CG2-CG 4.11Å; I22-L55 HydrophobicContact CD1-CD2 4.02Å; I22-L55 HydrophobicContact CG2-CD1 4.33Å; I22-Y68 HydrophobicContact CD1-CD1 3.72Å; I22-Y68 HydrophobicContact CD1-CE1 3.6Å
23	G	95.5	Very high	95.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.3	175.2	-171.9	0	0	0	0	0	111.7	S9 W10 W21 N33 I44	S9-G23 CarbonylContact C-O 3.54Å; S9-G23 WeakPolarHBondContact CA-O 3.35Å; W10-G23 PolarHBondContact N-O 3.23Å; W21-G23 VanDerWaalsContact CE2-CA 3.49Å; W21-G23 VanDerWaalsContact CZ2-C 3.41Å; W21-G23 PolarHBondContact NE1-O 2.82Å; G23-N33 CarbonylContact C-O 3.58Å; G23-N33 WeakPolarHBondContact CA-O 3.4Å; G23-I44 WeakPolarHBondContact O-CD1 3.49Å
24	E	95.4	Very high	95.5	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.019	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.9	180	72.9	-171.8	157.9	0	0	112	W7 M8 S9 W21 I32 N33 H78	W7-E24 HydrophobicContact CE3-CB 4.3Å; W7-E24 HydrophobicContact CE3-CG 3.49Å; W7-E24 VanDerWaalsContact CE3-CG 3.49Å; W7-E24 HydrophobicContact CZ3-CG 3.66Å; M8-E24 CarbonylContact O-C 3.57Å; M8-E24 WeakPolarHBondContact O-CA 3.37Å; S9-E24 VanDerWaalsContact OG-CB 3.24Å; S9-E24 WeakPolarHBondContact OG-CB 3.19Å; W21-E24 HydrophobicContact CH2-CG 4.48Å; W21-E24 HydrophobicContact CZ2-CB 3.82Å; W21-E24 HydrophobicContact CZ2-CG 3.67Å; E24-I32 VanDerWaalsContact O-CA 3.28Å; E24-I32 WeakPolarHBondContact O-CA 3.43Å; E24-I32 WeakPolarHBondContact O-CG2 3.3Å; E24-N33 HydrophobicContact CG-CB 4.09Å; E24-N33 PolarHBondContact N-O 2.8Å; E24-N33 PolarHBondContact O-N 2.81Å; E24-N33 PolarHBondContact OE1-ND2 3.05Å; E24-H78 IonicContact OE1-CD2 3.22Å; E24-H78 PolarHBondContact OE1-CD2 3.23Å; E24-H78 IonicContact OE1-NE2 3.77Å; E24-H78 PolarHBondContact OE1-NE2 3.1Å
25	I	95.9	Very high	95.5	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.1	177.3	-175.2	161.5	0	0	0	110.4	W7 M8 I32 I44 R46 L53	W7-I25 WeakPolarHBondContact CA-O 3.31Å; M8-I25 HydrophobicContact CB-CG2 4.24Å; M8-I25 PolarHBondContact N-O 3.09Å; M8-I25 PolarHBondContact O-N 3.2Å; I25-I32 HydrophobicContact CB-CG1 4.37Å; I25-I32 HydrophobicContact CD1-CD1 3.89Å; I25-I32 HydrophobicContact CD1-CG1 3.94Å; I25-I32 HydrophobicContact CG1-CD1 4.48Å; I25-I32 HydrophobicContact CG1-CG1 3.96Å; I25-I44 HydrophobicContact CB-CG2 3.88Å; I25-I44 HydrophobicContact CG2-CG2 3.62Å; I25-R46 HydrophobicContact CD1-CG 3.92Å; I25-R46 HydrophobicContact CG1-CG 4.34Å; I25-R46 HydrophobicContact CG2-CB 4.41Å; I25-R46 HydrophobicContact CG2-CG 4.44Å; I25-L53 HydrophobicContact CG2-CD1 3.5Å
26	N	94.4	Very high	95.4	Very high	14 Å²	14	57.5 Å²	57.5	8%	0.075	35%	0.345	C	S	.	.			trans	-76.3	165.4	-179.6	78.3	-28.9	0	0	0	112.2	W7 D28 S29 S30 T31 R46	W7-N26 HydrophobicContact CD2-CB 3.67Å; W7-N26 HydrophobicContact CE3-CB 3.88Å; W7-N26 HydrophobicContact CG-CB 4.41Å; W7-N26 HydrophobicContact CH2-CB 3.64Å; W7-N26 HydrophobicContact CZ2-CB 3.36Å; W7-N26 HydrophobicContact CZ3-CB 3.88Å; N26-D28 VanDerWaalsContact C-N 3.33Å; N26-D28 VanDerWaalsContact CG-OD1 3.26Å; N26-D28 PolarHBondContact ND2-OD1 2.92Å; N26-D28 PolarHBondContact O-N 2.93Å; N26-D28 PolarHBondContact OD1-OD1 2.63Å; N26-S29 PolarHBondContact O-N 2.91Å; N26-S29 VanDerWaalsContact O-N 3.11Å; N26-S29 VanDerWaalsContact OD1-C 3.27Å; N26-S29 VanDerWaalsContact OD1-CA 3.24Å; N26-S29 WeakPolarHBondContact OD1-CA 3.41Å; N26-S29 PolarHBondContact OD1-N 2.76Å; N26-S30 PolarHBondContact ND2-OG 3.1Å; N26-S30 PolarHBondContact OD1-N 2.64Å; N26-T31 PolarHBondContact N-O 2.75Å; N26-T31 VanDerWaalsContact N-O 3.1Å; N26-T31 PolarHBondContact OD1-N 2.9Å; N26-T31 PolarHBondContact OD1-O 2.83Å; N26-T31 VanDerWaalsContact OD1-O 3.14Å; N26-R46 WeakPolarHBondContact O-CD 3.32Å; N26-R46 PolarHBondContact O-NH1 3.17Å
27	P	95.1	Very high	95.2	Very high	34 Å²	34	57.5 Å²	57.5	22%	0.221	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.8	-47.1	-179.8	-41.4	43.9	0	0	0	116.9	S4 R46 N48	S4-P27 VanDerWaalsContact O-CB 3.28Å; S4-P27 WeakPolarHBondContact O-CB 3.3Å; P27-R46 VanDerWaalsContact CA-NH1 3.26Å; P27-N48 PolarHBondContact O-ND2 3.49Å
28	D	94.7	Very high	95	Very high	110 Å²	110	50.7 Å²	50.7	59%	0.588	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	4	-174.8	67	11.1	0	0	0	113.4	N26 S30	N26-D28 VanDerWaalsContact C-N 3.33Å; N26-D28 VanDerWaalsContact CG-OD1 3.26Å; N26-D28 PolarHBondContact ND2-OD1 2.92Å; N26-D28 PolarHBondContact O-N 2.93Å; N26-D28 PolarHBondContact OD1-OD1 2.63Å; D28-S30 PolarHBondContact O-N 2.9Å; D28-S30 VanDerWaalsContact OD1-CB 3.24Å; D28-S30 WeakPolarHBondContact OD1-CB 3.17Å; D28-S30 PolarHBondContact OD1-N 2.79Å; D28-S30 PolarHBondContact OD1-OG 3.17Å; D28-S30 PolarHBondContact OD2-OG 3.5Å
29	S	96.1	Very high	94.8	Very high	50 Å²	50	54.1 Å²	54.1	35%	0.35	30%	0.301	S	S	.	.	S	Bend	trans	63.3	10.7	-178.5	-45.7	0	0	0	0	115.6	N26 T31 R46	N26-S29 PolarHBondContact O-N 2.91Å; N26-S29 VanDerWaalsContact O-N 3.11Å; N26-S29 VanDerWaalsContact OD1-C 3.27Å; N26-S29 VanDerWaalsContact OD1-CA 3.24Å; N26-S29 WeakPolarHBondContact OD1-CA 3.41Å; N26-S29 PolarHBondContact OD1-N 2.76Å; S29-T31 VanDerWaalsContact C-N 3.29Å; S29-T31 PolarHBondContact O-N 3.04Å; S29-R46 WeakPolarHBondContact OG-CD 3.25Å; S29-R46 WeakPolarHBondContact OG-CG 3.32Å
30	S	96.1	Very high	94.6	Very high	87 Å²	87	55.9 Å²	55.9	61%	0.608	31%	0.311	S	S	*	.	S	Bend	trans	-73	-22.1	177.6	62.7	0	0	0	0	113.5	N26 D28	N26-S30 PolarHBondContact ND2-OG 3.1Å; N26-S30 PolarHBondContact OD1-N 2.64Å; D28-S30 PolarHBondContact O-N 2.9Å; D28-S30 VanDerWaalsContact OD1-CB 3.24Å; D28-S30 WeakPolarHBondContact OD1-CB 3.17Å; D28-S30 PolarHBondContact OD1-N 2.79Å; D28-S30 PolarHBondContact OD1-OG 3.17Å; D28-S30 PolarHBondContact OD2-OG 3.5Å
31	T	95.8	Very high	94.6	Very high	57 Å²	57	54.2 Å²	54.2	35%	0.35	30%	0.303	S	S	.	.			trans	-128.7	131.4	-178.1	-55.4	0	0	0	0	110.8	W7 N26 S29	W7-T31 HydrophobicContact CH2-CG2 3.95Å; W7-T31 HydrophobicContact CZ3-CG2 4.45Å; N26-T31 PolarHBondContact N-O 2.75Å; N26-T31 VanDerWaalsContact N-O 3.1Å; N26-T31 PolarHBondContact OD1-N 2.9Å; N26-T31 PolarHBondContact OD1-O 2.83Å; N26-T31 VanDerWaalsContact OD1-O 3.14Å; S29-T31 VanDerWaalsContact C-N 3.29Å; S29-T31 PolarHBondContact O-N 3.04Å
32	I	96.1	Very high	94.5	Very high	64 Å²	64	50.8 Å²	50.8	33%	0.328	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.5	173.2	-45.8	178.2	0	0	0	108.7	E24 I25 Y34 I44	E24-I32 VanDerWaalsContact O-CA 3.28Å; E24-I32 WeakPolarHBondContact O-CA 3.43Å; E24-I32 WeakPolarHBondContact O-CG2 3.3Å; I25-I32 HydrophobicContact CB-CG1 4.37Å; I25-I32 HydrophobicContact CD1-CD1 3.89Å; I25-I32 HydrophobicContact CD1-CG1 3.94Å; I25-I32 HydrophobicContact CG1-CD1 4.48Å; I25-I32 HydrophobicContact CG1-CG1 3.96Å; I32-Y34 HydrophobicContact CB-CE2 3.94Å; I32-Y34 HydrophobicContact CG2-CD2 4Å; I32-Y34 HydrophobicContact CG2-CE1 4.42Å; I32-Y34 HydrophobicContact CG2-CE2 3.26Å; I32-I44 HydrophobicContact CG2-CB 4.2Å
33	N	95	Very high	94.6	Very high	62 Å²	62	54.7 Å²	54.7	33%	0.332	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.8	174.5	-58.5	-42.2	0	0	0	109.6	W21 G23 E24	W21-N33 HydrophobicContact CH2-CB 3.75Å; W21-N33 HydrophobicContact CZ2-CB 4.35Å; G23-N33 CarbonylContact C-O 3.58Å; G23-N33 WeakPolarHBondContact CA-O 3.4Å; E24-N33 HydrophobicContact CG-CB 4.09Å; E24-N33 PolarHBondContact N-O 2.8Å; E24-N33 PolarHBondContact O-N 2.81Å; E24-N33 PolarHBondContact OE1-ND2 3.05Å
34	Y	95.5	Very high	94.7	Very high	42 Å²	42	54.8 Å²	54.8	17%	0.165	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.3	179.6	-70.4	-88.8	0	0	0	110.7	I22 I32 P36 K39 F42 I44	I22-Y34 WeakPolarHBondContact O-CA 3.38Å; I32-Y34 HydrophobicContact CB-CE2 3.94Å; I32-Y34 HydrophobicContact CG2-CD2 4Å; I32-Y34 HydrophobicContact CG2-CE1 4.42Å; I32-Y34 HydrophobicContact CG2-CE2 3.26Å; Y34-P36 WeakPolarHBondContact O-CD 3.39Å; Y34-K39 HydrophobicContact CD1-CB 4.5Å; Y34-K39 HydrophobicContact CD2-CD 4.25Å; Y34-K39 HydrophobicContact CD2-CG 3.9Å; Y34-K39 HydrophobicContact CE2-CG 4.45Å; Y34-K39 HydrophobicContact CG-CB 4.07Å; Y34-K39 HydrophobicContact CG-CG 3.93Å; Y34-F42 VanDerWaalsContact CE1-O 3.26Å; Y34-F42 WeakPolarHBondContact CE1-O 3.33Å; Y34-I44 HydrophobicContact CD1-CD1 4.39Å; Y34-I44 HydrophobicContact CE1-CB 4.49Å; Y34-I44 HydrophobicContact CE1-CD1 3.93Å; Y34-I44 HydrophobicContact CE1-CG1 3.86Å; Y34-I44 PolarHBondContact OH-N 2.91Å
35	T	94.8	Very high	94.8	Very high	31 Å²	31	57 Å²	57	19%	0.19	33%	0.326	C	S	.	.			trans	-63.5	124.2	156.9	-68	0	0	0	0	108.7	W21 I22 S37 L38 K39	W21-T35 VanDerWaalsContact CE3-OG1 3.29Å; W21-T35 WeakPolarHBondContact O-CB 3.34Å; W21-T35 PolarHBondContact O-OG1 2.86Å; I22-T35 PolarHBondContact O-N 3.16Å; T35-S37 VanDerWaalsContact C-N 3.26Å; T35-S37 WeakPolarHBondContact CG2-OG 3.41Å; T35-S37 PolarHBondContact O-N 2.89Å; T35-S37 VanDerWaalsContact O-N 3.13Å; T35-L38 HydrophobicContact CG2-CD1 4.31Å; T35-L38 HydrophobicContact CG2-CG 4.19Å; T35-L38 PolarHBondContact O-N 2.85Å; T35-K39 PolarHBondContact O-N 3.14Å
36	P	94.1	Very high	94.8	Very high	119 Å²	119	58.1 Å²	58.1	77%	0.773	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-38.2	-171.8	-30.7	35.9	0	0	0	114.8	Y34 L38	Y34-P36 WeakPolarHBondContact O-CD 3.39Å; P36-L38 PolarHBondContact O-N 2.89Å
37	S	91.3	Very high	95	Very high	87 Å²	87	59.2 Å²	59.2	61%	0.608	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-15	179.3	54	0	0	0	0	114.4	T35	T35-S37 VanDerWaalsContact C-N 3.26Å; T35-S37 WeakPolarHBondContact CG2-OG 3.41Å; T35-S37 PolarHBondContact O-N 2.89Å; T35-S37 VanDerWaalsContact O-N 3.13Å
38	L	91.6	Very high	95	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-13.3	-172.6	-59.1	-175.4	0	0	0	113.6	E20 I22 T35 P36 D40 K41 F42	E20-L38 HydrophobicContact CG-CD1 4.36Å; I22-L38 HydrophobicContact CB-CD1 4.44Å; I22-L38 HydrophobicContact CG1-CD1 4.05Å; T35-L38 HydrophobicContact CG2-CD1 4.31Å; T35-L38 HydrophobicContact CG2-CG 4.19Å; T35-L38 PolarHBondContact O-N 2.85Å; P36-L38 PolarHBondContact O-N 2.89Å; L38-D40 VanDerWaalsContact C-N 3.26Å; L38-D40 PolarHBondContact O-N 2.64Å; L38-K41 PolarHBondContact O-N 3.15Å; L38-K41 VanDerWaalsContact O-N 3.08Å; L38-F42 HydrophobicContact CB-CD2 3.94Å; L38-F42 HydrophobicContact CB-CE2 4.21Å; L38-F42 HydrophobicContact CD1-CE2 4.43Å; L38-F42 HydrophobicContact CD2-CE2 4.17Å; L38-F42 PolarHBondContact O-N 3.14Å
39	K	90.8	Very high	95	Very high	127 Å²	127	59.7 Å²	59.7	55%	0.552	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.6	-176	-174.7	177.7	177.5	-178.2	0	114	Y34 T35 K41	Y34-K39 HydrophobicContact CD1-CB 4.5Å; Y34-K39 HydrophobicContact CD2-CD 4.25Å; Y34-K39 HydrophobicContact CD2-CG 3.9Å; Y34-K39 HydrophobicContact CE2-CG 4.45Å; Y34-K39 HydrophobicContact CG-CB 4.07Å; Y34-K39 HydrophobicContact CG-CG 3.93Å; T35-K39 PolarHBondContact O-N 3.14Å; K39-K41 VanDerWaalsContact C-N 3.3Å; K39-K41 PolarHBondContact O-N 3.41Å
40	D	91.8	Very high	95	Very high	137 Å²	137	63.6 Å²	63.6	73%	0.733	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-9.8	-178.1	-67.1	-22.2	0	0	0	113.6	L38	L38-D40 VanDerWaalsContact C-N 3.26Å; L38-D40 PolarHBondContact O-N 2.64Å
41	K	94.1	Very high	94.9	Very high	33 Å²	33	64 Å²	64	14%	0.143	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-37	-179.4	-65	-174.1	177	-169.6	0	112	L38 K39 S58 E63 D64	L38-K41 PolarHBondContact O-N 3.15Å; L38-K41 VanDerWaalsContact O-N 3.08Å; K39-K41 VanDerWaalsContact C-N 3.3Å; K39-K41 PolarHBondContact O-N 3.41Å; K41-S58 PolarHBondContact O-N 3.06Å; K41-S58 PolarHBondContact O-OG 3.46Å; K41-E63 IonicContact NZ-OE1 3.59Å; K41-E63 PolarHBondContact NZ-OE1 3.38Å; K41-D64 IonicContact NZ-OD1 2.79Å; K41-D64 PolarHBondContact NZ-OD1 3.43Å; K41-D64 IonicContact NZ-OD2 3.35Å; K41-D64 PolarHBondContact NZ-OD2 3.37Å
42	F	95.3	Very high	95	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.8	-170.9	-56.5	-53.6	0	0	0	112.6	I22 Y34 L38 L55 Q56 M57 Y68	I22-F42 HydrophobicContact CG2-CB 4.06Å; I22-F42 HydrophobicContact CG2-CD2 3.62Å; I22-F42 HydrophobicContact CG2-CE2 4.46Å; I22-F42 HydrophobicContact CG2-CG 4.11Å; Y34-F42 VanDerWaalsContact CE1-O 3.26Å; Y34-F42 WeakPolarHBondContact CE1-O 3.33Å; L38-F42 HydrophobicContact CB-CD2 3.94Å; L38-F42 HydrophobicContact CB-CE2 4.21Å; L38-F42 HydrophobicContact CD1-CE2 4.43Å; L38-F42 HydrophobicContact CD2-CE2 4.17Å; L38-F42 PolarHBondContact O-N 3.14Å; F42-L55 HydrophobicContact CB-CD1 3.83Å; F42-L55 HydrophobicContact CD1-CD2 4.48Å; F42-L55 HydrophobicContact CD1-CG 4.42Å; F42-L55 HydrophobicContact CG-CD1 4.28Å; F42-Q56 WeakPolarHBondContact CA-O 3.45Å; F42-M57 HydrophobicContact CD1-CB 3.93Å; F42-M57 HydrophobicContact CD1-CE 4.37Å; F42-M57 HydrophobicContact CD1-CG 3.69Å; F42-M57 HydrophobicContact CE1-CB 3.91Å; F42-M57 HydrophobicContact CE1-CE 3.49Å; F42-M57 VanDerWaalsContact CE1-CE 3.49Å; F42-M57 HydrophobicContact CE1-CG 3.73Å; F42-M57 HydrophobicContact CE1-SD 4.42Å; F42-M57 HydrophobicContact CZ-CE 4.15Å; F42-Y68 HydrophobicContact CZ-CE1 4.41Å
43	I	96.4	Very high	95	Very high	83 Å²	83	61.4 Å²	61.4	43%	0.426	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.3	172.6	-57.8	171.6	0	0	0	107.7	Q56	I43-Q56 HydrophobicContact CB-CB 4.22Å; I43-Q56 PolarHBondContact N-O 2.64Å; I43-Q56 PolarHBondContact O-N 2.8Å
44	I	97.5	Very high	95.2	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.01	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.7	175.8	-58.5	174.8	0	0	0	108.8	G23 I25 I32 Y34 L53 L55	G23-I44 WeakPolarHBondContact O-CD1 3.49Å; I25-I44 HydrophobicContact CB-CG2 3.88Å; I25-I44 HydrophobicContact CG2-CG2 3.62Å; I32-I44 HydrophobicContact CG2-CB 4.2Å; Y34-I44 HydrophobicContact CD1-CD1 4.39Å; Y34-I44 HydrophobicContact CE1-CB 4.49Å; Y34-I44 HydrophobicContact CE1-CD1 3.93Å; Y34-I44 HydrophobicContact CE1-CG1 3.86Å; Y34-I44 PolarHBondContact OH-N 2.91Å; I44-L53 HydrophobicContact CG2-CD1 4.04Å; I44-L55 HydrophobicContact CG1-CD1 3.79Å
45	S	97.8	Very high	95.3	Very high	50 Å²	50	62.2 Å²	62.2	35%	0.35	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	165.2	171.3	65.6	0	0	0	0	110.7	Y54	S45-Y54 PolarHBondContact N-O 3.02Å; S45-Y54 PolarHBondContact O-N 2.86Å
46	R	97.6	Very high	95.4	Very high	25 Å²	25	66.4 Å²	66.4	9%	0.094	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151.7	-177.9	64.9	-175.5	-68.3	160	3.5	111.8	F3 Y6 I25 N26 P27 S29 N48 T52 L53	F3-R46 VanDerWaalsContact CD1-NH2 3.33Å; F3-R46 HydrophobicContact CE1-CB 4.11Å; F3-R46 VanDerWaalsContact CE1-NH2 3.31Å; F3-R46 HydrophobicContact CZ-CB 4.07Å; F3-R46 PolarHBondContact O-NH2 2.98Å; Y6-R46 PolarHBondContact O-NH1 3.27Å; I25-R46 HydrophobicContact CD1-CG 3.92Å; I25-R46 HydrophobicContact CG1-CG 4.34Å; I25-R46 HydrophobicContact CG2-CB 4.41Å; I25-R46 HydrophobicContact CG2-CG 4.44Å; N26-R46 WeakPolarHBondContact O-CD 3.32Å; N26-R46 PolarHBondContact O-NH1 3.17Å; P27-R46 VanDerWaalsContact CA-NH1 3.26Å; S29-R46 WeakPolarHBondContact OG-CD 3.25Å; S29-R46 WeakPolarHBondContact OG-CG 3.32Å; R46-N48 PolarHBondContact NE-OD1 3.21Å; R46-N48 PolarHBondContact NH2-OD1 3.08Å; R46-T52 CarbonylContact C-O 3.57Å; R46-T52 WeakPolarHBondContact CA-O 3.2Å; R46-L53 HydrophobicContact CB-CD1 4.12Å
47	D	97.1	Very high	95.5	Very high	38 Å²	38	63.4 Å²	63.4	20%	0.203	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	106.2	170.9	-177.1	-22.4	0	0	0	108.6	A49 K50 N51 T52 Y54	D47-A49 VanDerWaalsContact C-N 3.34Å; D47-A49 WeakPolarHBondContact OD1-CB 3.24Å; D47-A49 PolarHBondContact OD1-N 3.35Å; D47-K50 HydrophobicContact CB-CB 4.23Å; D47-K50 PolarHBondContact O-N 2.91Å; D47-K50 PolarHBondContact OD1-N 3.13Å; D47-K50 VanDerWaalsContact OD1-N 3.09Å; D47-K50 VanDerWaalsContact OD2-CD 3.29Å; D47-K50 WeakPolarHBondContact OD2-CD 2.99Å; D47-K50 WeakPolarHBondContact OD2-CE 3.45Å; D47-K50 VanDerWaalsContact OD2-CG 3.31Å; D47-K50 WeakPolarHBondContact OD2-CG 3.49Å; D47-K50 IonicContact OD2-NZ 2.76Å; D47-K50 PolarHBondContact OD2-NZ 3.18Å; D47-N51 PolarHBondContact O-N 3.04Å; D47-T52 PolarHBondContact N-O 2.93Å; D47-T52 PolarHBondContact O-N 3.18Å; D47-Y54 HydrophobicContact CB-CE2 3.85Å
48	N	95.8	Very high	95.5	Very high	56 Å²	56	61.2 Å²	61.2	30%	0.299	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-29.5	-177.8	-72.8	-17.9	0	0	0	112.5	F3 P27 R46 K50 N51	F3-N48 WeakPolarHBondContact CD1-OD1 3.33Å; F3-N48 VanDerWaalsContact CE1-OD1 3.32Å; F3-N48 WeakPolarHBondContact CE1-OD1 3.39Å; P27-N48 PolarHBondContact O-ND2 3.49Å; R46-N48 PolarHBondContact NE-OD1 3.21Å; R46-N48 PolarHBondContact NH2-OD1 3.08Å; N48-K50 VanDerWaalsContact C-N 3.27Å; N48-K50 PolarHBondContact O-N 3.29Å; N48-N51 PolarHBondContact O-N 3.14Å; N48-N51 PolarHBondContact O-OD1 2.91Å
49	A	95.1	Very high	95.3	Very high	97 Å²	97	69.2 Å²	69.2	80%	0.802	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.7	177.4	0	0	0	0	0	111.3	D47	D47-A49 VanDerWaalsContact C-N 3.34Å; D47-A49 WeakPolarHBondContact OD1-CB 3.24Å; D47-A49 PolarHBondContact OD1-N 3.35Å
50	K	96.1	Very high	95.4	Very high	133 Å²	133	65.8 Å²	65.8	58%	0.578	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-1	176.5	-60.1	-171.4	-170.2	110.3	0	114.2	D47 N48 T52	D47-K50 HydrophobicContact CB-CB 4.23Å; D47-K50 PolarHBondContact O-N 2.91Å; D47-K50 PolarHBondContact OD1-N 3.13Å; D47-K50 VanDerWaalsContact OD1-N 3.09Å; D47-K50 VanDerWaalsContact OD2-CD 3.29Å; D47-K50 WeakPolarHBondContact OD2-CD 2.99Å; D47-K50 WeakPolarHBondContact OD2-CE 3.45Å; D47-K50 VanDerWaalsContact OD2-CG 3.31Å; D47-K50 WeakPolarHBondContact OD2-CG 3.49Å; D47-K50 IonicContact OD2-NZ 2.76Å; D47-K50 PolarHBondContact OD2-NZ 3.18Å; N48-K50 VanDerWaalsContact C-N 3.27Å; N48-K50 PolarHBondContact O-N 3.29Å; K50-T52 WeakPolarHBondContact CB-OG1 3.39Å; K50-T52 PolarHBondContact O-N 2.8Å; K50-T52 PolarHBondContact O-OG1 2.83Å
51	N	94.4	Very high	95.5	Very high	94 Å²	94	66.9 Å²	66.9	50%	0.503	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	41.4	-171.3	-58.4	-54.4	0	0	0	112.9	F3 D47 N48	F3-N51 HydrophobicContact CB-CB 3.87Å; F3-N51 WeakPolarHBondContact CB-OD1 3.48Å; F3-N51 HydrophobicContact CD1-CB 4.45Å; F3-N51 HydrophobicContact CG-CB 4.12Å; D47-N51 PolarHBondContact O-N 3.04Å; N48-N51 PolarHBondContact O-N 3.14Å; N48-N51 PolarHBondContact O-OD1 2.91Å
52	T	96.3	Very high	95.5	Very high	47 Å²	47	69 Å²	69	29%	0.288	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.2	-171.5	-52.1	0	0	0	0	111.4	F3 R46 D47 K50 Y54	F3-T52 VanDerWaalsContact CZ-C 3.46Å; F3-T52 WeakPolarHBondContact CZ-O 3.37Å; R46-T52 CarbonylContact C-O 3.57Å; R46-T52 WeakPolarHBondContact CA-O 3.2Å; D47-T52 PolarHBondContact N-O 2.93Å; D47-T52 PolarHBondContact O-N 3.18Å; K50-T52 WeakPolarHBondContact CB-OG1 3.39Å; K50-T52 PolarHBondContact O-N 2.8Å; K50-T52 PolarHBondContact O-OG1 2.83Å; T52-Y54 HydrophobicContact CG2-CD1 4.18Å; T52-Y54 HydrophobicContact CG2-CD2 4.39Å; T52-Y54 HydrophobicContact CG2-CE1 3.59Å; T52-Y54 HydrophobicContact CG2-CE2 3.81Å
53	L	97.6	Very high	95.3	Very high	20 Å²	20	74.6 Å²	74.6	11%	0.105	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.7	170.7	-173	71.9	0	0	0	108.9	F3 M8 W10 I25 I44 R46 C70	F3-L53 HydrophobicContact CE2-CB 4.12Å; F3-L53 HydrophobicContact CZ-CB 4.07Å; M8-L53 HydrophobicContact CB-CD1 3.65Å; M8-L53 HydrophobicContact CB-CD2 3.86Å; M8-L53 HydrophobicContact CB-CG 4.27Å; W10-L53 HydrophobicContact CD2-CD2 4.22Å; W10-L53 HydrophobicContact CG-CD2 4.24Å; W10-L53 HydrophobicContact CZ2-CD2 4.14Å; W10-L53 HydrophobicContact CZ2-CG 4.24Å; W10-L53 VanDerWaalsContact NE1-CD2 3.27Å; W10-L53 VanDerWaalsContact NE1-CG 3.34Å; I25-L53 HydrophobicContact CG2-CD1 3.5Å; I44-L53 HydrophobicContact CG2-CD1 4.04Å; R46-L53 HydrophobicContact CB-CD1 4.12Å; L53-C70 HydrophobicContact CD2-CB 3.87Å
54	Y	98.1	Very high	95.2	Very high	92 Å²	92	70.7 Å²	70.7	36%	0.361	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.4	-179.9	-56.7	-84.3	0	0	0	110.6	W10 S45 D47 T52	W10-Y54 PolarHBondContact NE1-O 2.82Å; W10-Y54 VanDerWaalsContact NE1-O 3.14Å; S45-Y54 PolarHBondContact N-O 3.02Å; S45-Y54 PolarHBondContact O-N 2.86Å; D47-Y54 HydrophobicContact CB-CE2 3.85Å; T52-Y54 HydrophobicContact CG2-CD1 4.18Å; T52-Y54 HydrophobicContact CG2-CD2 4.39Å; T52-Y54 HydrophobicContact CG2-CE1 3.59Å; T52-Y54 HydrophobicContact CG2-CE2 3.81Å
55	L	97.8	Very high	95.2	Very high	30 Å²	30	72.1 Å²	72.1	16%	0.157	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	102.1	167.6	-171.2	67.6	0	0	0	107.5	W10 I22 F42 I44 M57 Y68	W10-L55 HydrophobicContact CB-CD1 4.24Å; W10-L55 HydrophobicContact CB-CD2 4.44Å; W10-L55 HydrophobicContact CD2-CB 3.88Å; W10-L55 HydrophobicContact CD2-CD1 4.49Å; W10-L55 HydrophobicContact CD2-CD2 4.1Å; W10-L55 HydrophobicContact CD2-CG 4.4Å; W10-L55 HydrophobicContact CE3-CB 4.5Å; W10-L55 HydrophobicContact CE3-CD2 4.27Å; W10-L55 HydrophobicContact CG-CB 4.15Å; W10-L55 HydrophobicContact CG-CD1 3.92Å; W10-L55 HydrophobicContact CG-CD2 4.17Å; W10-L55 HydrophobicContact CG-CG 4.32Å; W10-L55 HydrophobicContact CZ2-CB 3.95Å; I22-L55 HydrophobicContact CD1-CD2 4.02Å; I22-L55 HydrophobicContact CG2-CD1 4.33Å; F42-L55 HydrophobicContact CB-CD1 3.83Å; F42-L55 HydrophobicContact CD1-CD2 4.48Å; F42-L55 HydrophobicContact CD1-CG 4.42Å; F42-L55 HydrophobicContact CG-CD1 4.28Å; I44-L55 HydrophobicContact CG1-CD1 3.79Å; L55-M57 HydrophobicContact CD2-CG 4.26Å; L55-M57 HydrophobicContact CG-CG 4.15Å; L55-Y68 HydrophobicContact CD2-CD1 3.63Å; L55-Y68 HydrophobicContact CD2-CE1 3.87Å
56	Q	97.6	Very high	95.2	Very high	119 Å²	119	69.9 Å²	69.9	56%	0.556	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	125.3	170.7	176.9	177.9	-14	0	0	108.5	F42 I43	F42-Q56 WeakPolarHBondContact CA-O 3.45Å; I43-Q56 HydrophobicContact CB-CB 4.22Å; I43-Q56 PolarHBondContact N-O 2.64Å; I43-Q56 PolarHBondContact O-N 2.8Å
57	M	95.3	Very high	95.3	Very high	56 Å²	56	71.5 Å²	71.5	28%	0.276	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.6	-177	-51.7	172.8	73.1	0	0	109.2	F42 L55 V60 Y68 V90	F42-M57 HydrophobicContact CD1-CB 3.93Å; F42-M57 HydrophobicContact CD1-CE 4.37Å; F42-M57 HydrophobicContact CD1-CG 3.69Å; F42-M57 HydrophobicContact CE1-CB 3.91Å; F42-M57 HydrophobicContact CE1-CE 3.49Å; F42-M57 VanDerWaalsContact CE1-CE 3.49Å; F42-M57 HydrophobicContact CE1-CG 3.73Å; F42-M57 HydrophobicContact CE1-SD 4.42Å; F42-M57 HydrophobicContact CZ-CE 4.15Å; L55-M57 HydrophobicContact CD2-CG 4.26Å; L55-M57 HydrophobicContact CG-CG 4.15Å; M57-V60 HydrophobicContact CB-CG1 3.64Å; M57-V60 HydrophobicContact CE-CG1 4.08Å; M57-Y68 HydrophobicContact CE-CE1 3.73Å; M57-Y68 HydrophobicContact CE-CE2 3.91Å; M57-Y68 WeakPolarHBondContact CE-OH 3.28Å; M57-V90 HydrophobicContact CE-CG1 4.24Å; M57-V90 HydrophobicContact SD-CG1 4.41Å
58	S	92	Very high	95.3	Very high	41 Å²	41	69.9 Å²	69.9	29%	0.287	36%	0.359	S	S	.	.			trans	-130.2	148.9	-179.1	70.9	0	0	0	0	110.5	K41 V60	K41-S58 PolarHBondContact O-N 3.06Å; K41-S58 PolarHBondContact O-OG 3.46Å; S58-V60 PolarHBondContact O-N 2.8Å; S58-V60 VanDerWaalsContact O-N 3.15Å
59	K	88	Confident	95.4	Very high	173 Å²	173	69.1 Å²	69.1	75%	0.752	35%	0.352	S	S	*	.	S	Bend	trans	52.9	34.7	-178.7	-55.7	174.7	-178.4	170.8	0	113.3
60	V	91.4	Very high	95.4	Very high	56 Å²	56	66.5 Å²	66.5	34%	0.339	33%	0.328	S	S	.	.			trans	-64.1	145.7	179.4	-65.5	0	0	0	0	111.2	M57 S58 V92	M57-V60 HydrophobicContact CB-CG1 3.64Å; M57-V60 HydrophobicContact CE-CG1 4.08Å; S58-V60 PolarHBondContact O-N 2.8Å; S58-V60 VanDerWaalsContact O-N 3.15Å; V60-V92 HydrophobicContact CB-CG2 4.19Å; V60-V92 HydrophobicContact CG2-CG1 4.14Å; V60-V92 HydrophobicContact CG2-CG2 4.12Å
61	R	93.4	Very high	95.4	Very high	160 Å²	160	60.2 Å²	60.2	60%	0.604	30%	0.301	S	S	*	.			trans	-127	171.1	178.4	-63.4	179.6	-174.6	-152.2	-0.7	109.7	E63 D64 V92	R61-E63 HydrophobicContact CB-CG 3.63Å; R61-E63 PolarHBondContact O-N 3.07Å; R61-E63 VanDerWaalsContact O-N 3.16Å; R61-D64 PolarHBondContact N-OD2 3Å; R61-D64 WeakPolarHBondContact O-CB 3.21Å; R61-D64 PolarHBondContact O-N 2.92Å; R61-V92 WeakPolarHBondContact O-CB 3.31Å; R61-V92 WeakPolarHBondContact O-CG1 3.45Å
62	S	94.1	Very high	95.2	Very high	76 Å²	76	57.7 Å²	57.7	53%	0.531	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-55.5	-33.7	178.6	51.3	0	0	0	0	113.4	D64 T65 V92	S62-D64 PolarHBondContact O-N 3.01Å; S62-T65 VanDerWaalsContact O-CB 3.3Å; S62-T65 WeakPolarHBondContact O-CB 3.34Å; S62-T65 PolarHBondContact O-N 3.24Å; S62-T65 VanDerWaalsContact O-N 3.09Å; S62-T65 PolarHBondContact O-OG1 2.91Å; S62-V92 WeakPolarHBondContact CA-O 3.24Å
63	E	92.4	Very high	94.6	Very high	119 Å²	119	55.6 Å²	55.6	56%	0.556	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-60.8	-19.1	172.5	53.4	174.4	-154.9	0	0	114.7	K41 R61 T65	K41-E63 IonicContact NZ-OE1 3.59Å; K41-E63 PolarHBondContact NZ-OE1 3.38Å; R61-E63 HydrophobicContact CB-CG 3.63Å; R61-E63 PolarHBondContact O-N 3.07Å; R61-E63 VanDerWaalsContact O-N 3.16Å; E63-T65 VanDerWaalsContact C-N 3.28Å
64	D	94.7	Very high	93.3	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-87.9	4.8	176.8	-58.8	-56.6	0	0	0	112.1	R12 K41 R61 S62 A66 Y68	R12-D64 IonicContact CZ-OD1 3.63Å; R12-D64 IonicContact NH1-OD1 2.92Å; R12-D64 PolarHBondContact NH1-OD1 2.99Å; K41-D64 IonicContact NZ-OD1 2.79Å; K41-D64 PolarHBondContact NZ-OD1 3.43Å; K41-D64 IonicContact NZ-OD2 3.35Å; K41-D64 PolarHBondContact NZ-OD2 3.37Å; R61-D64 PolarHBondContact N-OD2 3Å; R61-D64 WeakPolarHBondContact O-CB 3.21Å; R61-D64 PolarHBondContact O-N 2.92Å; S62-D64 PolarHBondContact O-N 3.01Å; D64-A66 PolarHBondContact O-N 3.26Å; D64-Y68 PolarHBondContact O-OH 3.44Å
65	T	97.1	Very high	91.6	Very high	31 Å²	31	57.7 Å²	57.7	19%	0.19	29%	0.286	C	S	.	.			trans	-64.6	117.2	170.7	-66.4	0	0	0	0	110.5	P15 S62 E63 V90 T91 V92	P15-T65 WeakPolarHBondContact CD-O 3.5Å; S62-T65 VanDerWaalsContact O-CB 3.3Å; S62-T65 WeakPolarHBondContact O-CB 3.34Å; S62-T65 PolarHBondContact O-N 3.24Å; S62-T65 VanDerWaalsContact O-N 3.09Å; S62-T65 PolarHBondContact O-OG1 2.91Å; E63-T65 VanDerWaalsContact C-N 3.28Å; T65-V90 WeakPolarHBondContact CA-O 3.26Å; T65-T91 HydrophobicContact CG2-CG2 4.26Å; T65-V92 PolarHBondContact OG1-N 3.21Å; T65-V92 PolarHBondContact OG1-O 3.49Å
66	A	97.8	Very high	89.8	Confident	4 Å²	4	61.7 Å²	61.7	3%	0.033	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	167.7	-176.2	0	0	0	0	0	112.3	R12 Q13 A14 D64 Y68 V90	R12-A66 HydrophobicContact CB-CB 4.01Å; Q13-A66 WeakPolarHBondContact O-CA 3.35Å; Q13-A66 WeakPolarHBondContact O-CB 2.94Å; A14-A66 HydrophobicContact CB-CB 4.47Å; D64-A66 PolarHBondContact O-N 3.26Å; A66-Y68 HydrophobicContact CB-CD2 4.18Å; A66-Y68 HydrophobicContact CB-CE2 3.68Å; A66-Y68 WeakPolarHBondContact O-CD2 3.17Å; A66-V90 PolarHBondContact N-O 3.12Å; A66-V90 VanDerWaalsContact N-O 3.09Å; A66-V90 PolarHBondContact O-N 2.95Å
67	L	98.3	Very high	88	Confident	58 Å²	58	57.9 Å²	57.9	30%	0.304	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.1	157.5	-82.9	157.4	0	0	0	109.1	R12 Q13 Y69 T88 T89	R12-L67 CarbonylContact C-O 3.57Å; R12-L67 WeakPolarHBondContact CA-O 3.22Å; Q13-L67 HydrophobicContact CB-CB 4.42Å; Q13-L67 PolarHBondContact N-O 3.23Å; Q13-L67 PolarHBondContact O-N 2.62Å; L67-Y69 HydrophobicContact CB-CE2 3.66Å; L67-Y69 WeakPolarHBondContact CD1-OH 3.03Å; L67-T88 CarbonylContact C-O 3.46Å; L67-T88 WeakPolarHBondContact CA-O 3.4Å; L67-T89 WeakPolarHBondContact CD2-OG1 3.29Å
68	Y	98.2	Very high	86.1	Confident	5 Å²	5	60 Å²	60	2%	0.02	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.6	-179.9	-74.3	-99.6	0	0	0	110.2	R12 I22 F42 L55 M57 D64 A66 G87 T88 V90	R12-Y68 HydrophobicContact CB-CD1 3.92Å; R12-Y68 HydrophobicContact CB-CE1 3.85Å; R12-Y68 HydrophobicContact CB-CG 4.32Å; I22-Y68 HydrophobicContact CD1-CD1 3.72Å; I22-Y68 HydrophobicContact CD1-CE1 3.6Å; F42-Y68 HydrophobicContact CZ-CE1 4.41Å; L55-Y68 HydrophobicContact CD2-CD1 3.63Å; L55-Y68 HydrophobicContact CD2-CE1 3.87Å; M57-Y68 HydrophobicContact CE-CE1 3.73Å; M57-Y68 HydrophobicContact CE-CE2 3.91Å; M57-Y68 WeakPolarHBondContact CE-OH 3.28Å; D64-Y68 PolarHBondContact O-OH 3.44Å; A66-Y68 HydrophobicContact CB-CD2 4.18Å; A66-Y68 HydrophobicContact CB-CE2 3.68Å; A66-Y68 WeakPolarHBondContact O-CD2 3.17Å; Y68-G87 CarbonylContact O-C 3.6Å; Y68-G87 WeakPolarHBondContact O-CA 3.24Å; Y68-T88 PolarHBondContact N-O 2.75Å; Y68-T88 PolarHBondContact O-N 2.59Å; Y68-V90 HydrophobicContact CD2-CB 3.84Å; Y68-V90 HydrophobicContact CD2-CG2 3.73Å; Y68-V90 HydrophobicContact CE2-CB 3.8Å; Y68-V90 HydrophobicContact CE2-CG2 4.13Å; Y68-V90 HydrophobicContact CG-CG2 4.45Å
69	Y	97.9	Very high	84.6	Confident	39 Å²	39	68.7 Å²	68.7	15%	0.153	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	136.3	-177.4	-54.7	-89.9	0	0	0	109.9	W10 V11 Q13 L19 L67 W84	W10-Y69 WeakPolarHBondContact CA-O 3.41Å; W10-Y69 VanDerWaalsContact CE3-C 3.46Å; V11-Y69 PolarHBondContact N-O 2.84Å; V11-Y69 PolarHBondContact O-N 2.99Å; Q13-Y69 HydrophobicContact CB-CE2 4.14Å; L19-Y69 HydrophobicContact CD2-CD2 4.49Å; L19-Y69 HydrophobicContact CD2-CE2 4.33Å; L67-Y69 HydrophobicContact CB-CE2 3.66Å; L67-Y69 WeakPolarHBondContact CD1-OH 3.03Å; Y69-W84 HydrophobicContact CG-CE3 4.2Å; Y69-W84 HydrophobicContact CG-CZ3 4.36Å
70	C	95.7	Very high	83.5	Confident	42 Å²	42	68 Å²	68	28%	0.284	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	142.7	158.8	63.2	0	0	0	0	109	S9 W10 L53 G85	S9-C70 CarbonylContact O-C 3.45Å; S9-C70 VanDerWaalsContact O-CA 3.31Å; S9-C70 WeakPolarHBondContact O-CA 3.32Å; W10-C70 HydrophobicContact CD2-CB 4.46Å; W10-C70 HydrophobicContact CE3-CB 4.26Å; W10-C70 HydrophobicContact CH2-CB 4.06Å; W10-C70 HydrophobicContact CZ2-CB 4.28Å; W10-C70 HydrophobicContact CZ3-CB 4.05Å; L53-C70 HydrophobicContact CD2-CB 3.87Å; C70-G85 PolarHBondContact O-N 2.98Å
71	A	94.4	Very high	83	Confident	2 Å²	2	68 Å²	68	2%	0.017	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.9	178.6	0	0	0	0	0	110.4	S9 F81 V83 W84	S9-A71 PolarHBondContact N-O 3.16Å; S9-A71 PolarHBondContact O-N 3.43Å; A71-F81 HydrophobicContact CB-CB 4.04Å; A71-F81 HydrophobicContact CB-CD1 3.64Å; A71-F81 HydrophobicContact CB-CD2 4.48Å; A71-F81 HydrophobicContact CB-CE1 4.28Å; A71-F81 HydrophobicContact CB-CG 3.77Å; A71-V83 CarbonylContact C-O 3.56Å; A71-V83 VanDerWaalsContact CA-O 3.3Å; A71-V83 WeakPolarHBondContact CA-O 3.19Å; A71-W84 HydrophobicContact CB-CD2 3.92Å; A71-W84 HydrophobicContact CB-CE3 3.9Å; A71-W84 HydrophobicContact CB-CG 4.45Å; A71-W84 HydrophobicContact CB-CH2 4.49Å; A71-W84 HydrophobicContact CB-CZ3 4.19Å
72	R	91.2	Very high	82.4	Confident	41 Å²	41	63.8 Å²	63.8	16%	0.155	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.6	176.9	-178.2	-177.9	79.2	-176.1	9.3	110.3	F1 Y6 M8 F81 D82 V83	F1-R72 HydrophobicContact CE2-CG 4.38Å; F1-R72 VanDerWaalsContact CE2-NH1 3.3Å; Y6-R72 VanDerWaalsContact CD1-CD 3.44Å; Y6-R72 HydrophobicContact CD1-CG 3.62Å; Y6-R72 HydrophobicContact CD2-CG 4.41Å; Y6-R72 HydrophobicContact CE1-CG 4.4Å; Y6-R72 VanDerWaalsContact CG-CD 3.44Å; Y6-R72 HydrophobicContact CG-CG 3.62Å; M8-R72 HydrophobicContact CE-CB 4.35Å; M8-R72 HydrophobicContact SD-CB 4.15Å; M8-R72 HydrophobicContact SD-CG 4.16Å; R72-F81 WeakPolarHBondContact O-CA 3.37Å; R72-D82 WeakPolarHBondContact CB-OD1 3.36Å; R72-D82 WeakPolarHBondContact CG-OD1 3.38Å; R72-D82 IonicContact CZ-OD1 2.91Å; R72-D82 IonicContact CZ-OD2 2.75Å; R72-D82 IonicContact NE-OD1 2.76Å; R72-D82 PolarHBondContact NE-OD1 3.09Å; R72-D82 IonicContact NE-OD2 3.44Å; R72-D82 PolarHBondContact NE-OD2 2.76Å; R72-D82 VanDerWaalsContact NH2-CG 3.32Å; R72-D82 IonicContact NH2-OD1 3.05Å; R72-D82 IonicContact NH2-OD2 2.81Å; R72-D82 PolarHBondContact NH2-OD2 2.76Å; R72-D82 PolarHBondContact O-N 3.46Å; R72-V83 HydrophobicContact CB-CB 4.27Å; R72-V83 PolarHBondContact N-O 2.97Å
73	D	83.1	Confident	82.1	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.011	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	151.1	169.2	-171.9	13.8	0	0	0	111.5	W7 S77 H78 F81	W7-D73 PolarHBondContact N-O 2.86Å; W7-D73 VanDerWaalsContact N-O 3.07Å; W7-D73 PolarHBondContact O-N 2.8Å; D73-S77 VanDerWaalsContact OD1-O 3.1Å; D73-S77 PolarHBondContact OD1-OG 3.14Å; D73-S77 VanDerWaalsContact OD1-OG 3.14Å; D73-S77 VanDerWaalsContact OD2-C 3.31Å; D73-S77 VanDerWaalsContact OD2-O 3.05Å; D73-H78 VanDerWaalsContact OD2-CA 3.32Å; D73-H78 WeakPolarHBondContact OD2-CA 3.4Å; D73-H78 PolarHBondContact OD2-N 3.04Å; D73-F81 HydrophobicContact CB-CD1 4.05Å; D73-F81 HydrophobicContact CB-CE1 4.23Å
74	Y	71.7	Confident	82.1	Confident	129 Å²	129	62.7 Å²	62.7	51%	0.506	31%	0.308	S	S	.	.			trans	-81.6	109.3	161	-87.4	-84	0	0	0	107.5	Y6 S76 S77	Y6-Y74 HydrophobicContact CD1-CD1 4.48Å; Y6-Y74 HydrophobicContact CD1-CD2 4.21Å; Y6-Y74 HydrophobicContact CD1-CE1 4.4Å; Y6-Y74 HydrophobicContact CD1-CE2 4.16Å; Y6-Y74 HydrophobicContact CD1-CG 4.39Å; Y6-Y74 HydrophobicContact CE1-CD1 4.35Å; Y6-Y74 AromaticContact CE1-CD2 3.9Å; Y6-Y74 HydrophobicContact CE1-CD2 3.9Å; Y6-Y74 AromaticContact CE1-CE1 3.87Å; Y6-Y74 HydrophobicContact CE1-CE1 3.87Å; Y6-Y74 AromaticContact CE1-CE2 3.39Å; Y6-Y74 HydrophobicContact CE1-CE2 3.39Å; Y6-Y74 HydrophobicContact CE1-CG 4.36Å; Y6-Y74 AromaticContact CE1-CZ 3.35Å; Y6-Y74 AromaticContact CZ-CZ 3.99Å; Y6-Y74 PolarHBondContact OH-OH 3.18Å; Y74-S76 PolarHBondContact O-N 2.81Å; Y74-S77 PolarHBondContact O-N 3.07Å; Y74-S77 PolarHBondContact O-OG 3.11Å; Y74-S77 VanDerWaalsContact O-OG 3.14Å
75	G	61.8	Low	82.1	Confident	27 Å²	27	63.9 Å²	63.9	28%	0.278	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	5.9	-172.1	0	0	0	0	0	118.9	W7 H78	W7-G75 VanDerWaalsContact CD1-CA 3.41Å; G75-H78 PolarHBondContact O-CE1 2.97Å
76	S	59.2	Low	82	Confident	114 Å²	114	67.5 Å²	67.5	80%	0.797	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-12.7	164.6	53.8	0	0	0	0	114.3	Y74	Y74-S76 PolarHBondContact O-N 2.81Å
77	S	59.8	Low	81.9	Confident	40 Å²	40	68.9 Å²	68.9	28%	0.28	37%	0.369	S	S	.	.			trans	-130.1	62.1	-173.9	58.2	0	0	0	0	112.4	D73 Y74 W79 F80	D73-S77 VanDerWaalsContact OD1-O 3.1Å; D73-S77 PolarHBondContact OD1-OG 3.14Å; D73-S77 VanDerWaalsContact OD1-OG 3.14Å; D73-S77 VanDerWaalsContact OD2-C 3.31Å; D73-S77 VanDerWaalsContact OD2-O 3.05Å; Y74-S77 PolarHBondContact O-N 3.07Å; Y74-S77 PolarHBondContact O-OG 3.11Å; Y74-S77 VanDerWaalsContact O-OG 3.14Å; S77-W79 PolarHBondContact O-N 2.93Å; S77-F80 PolarHBondContact O-N 3.01Å; S77-F80 VanDerWaalsContact O-N 3.1Å
78	H	56.1	Low	81.9	Confident	99 Å²	99	70 Å²	70	46%	0.458	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	3.6	173.9	-62.2	88.9	0	0	0	116	E24 D73 G75	E24-H78 IonicContact OE1-CD2 3.22Å; E24-H78 PolarHBondContact OE1-CD2 3.23Å; E24-H78 IonicContact OE1-NE2 3.77Å; E24-H78 PolarHBondContact OE1-NE2 3.1Å; D73-H78 VanDerWaalsContact OD2-CA 3.32Å; D73-H78 WeakPolarHBondContact OD2-CA 3.4Å; D73-H78 PolarHBondContact OD2-N 3.04Å; G75-H78 PolarHBondContact O-CE1 2.97Å
79	W	60.1	Low	81.9	Confident	224 Å²	224	74 Å²	74	85%	0.848	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-14.9	-177.3	-55.4	111.6	0	0	0	113.8	S77	S77-W79 PolarHBondContact O-N 2.93Å
80	F	65.9	Low	81.9	Confident	160 Å²	160	74.1 Å²	74.1	70%	0.702	41%	0.408	S	S	*	.			trans	-142.8	109.2	-175.7	-63.1	-75.2	0	0	0	113.8	S77 D82	S77-F80 PolarHBondContact O-N 3.01Å; S77-F80 VanDerWaalsContact O-N 3.1Å; F80-D82 PolarHBondContact O-N 3.37Å
81	F	79.4	Confident	81.9	Confident	56 Å²	56	77.1 Å²	77.1	25%	0.246	43%	0.425	C	S	.	.			trans	-74.1	122.9	166.9	-62	-62.4	0	0	0	110.6	S9 V11 W21 A71 R72 D73 W84	S9-F81 VanDerWaalsContact CB-CE1 3.44Å; S9-F81 VanDerWaalsContact OG-CE1 3.25Å; S9-F81 WeakPolarHBondContact OG-CE1 3.28Å; V11-F81 HydrophobicContact CG2-CE2 4.12Å; V11-F81 HydrophobicContact CG2-CZ 4.3Å; W21-F81 AromaticContact CD1-CZ 3.65Å; A71-F81 HydrophobicContact CB-CB 4.04Å; A71-F81 HydrophobicContact CB-CD1 3.64Å; A71-F81 HydrophobicContact CB-CD2 4.48Å; A71-F81 HydrophobicContact CB-CE1 4.28Å; A71-F81 HydrophobicContact CB-CG 3.77Å; R72-F81 WeakPolarHBondContact O-CA 3.37Å; D73-F81 HydrophobicContact CB-CD1 4.05Å; D73-F81 HydrophobicContact CB-CE1 4.23Å; F81-W84 HydrophobicContact CB-CZ2 3.74Å; F81-W84 VanDerWaalsContact CB-NE1 3.35Å; F81-W84 AromaticContact CD2-CH2 3.76Å; F81-W84 HydrophobicContact CD2-CH2 3.76Å; F81-W84 AromaticContact CD2-CZ2 3.3Å; F81-W84 HydrophobicContact CD2-CZ2 3.3Å; F81-W84 HydrophobicContact CE2-CH2 4.24Å; F81-W84 HydrophobicContact CE2-CZ2 4.2Å; F81-W84 HydrophobicContact CG-CH2 4.42Å; F81-W84 AromaticContact CG-CZ2 3.79Å; F81-W84 HydrophobicContact CG-CZ2 3.79Å
82	D	80.8	Confident	81.9	Confident	70 Å²	70	78.4 Å²	78.4	37%	0.374	43%	0.432	S	S	.	.			trans	-89.9	-25.7	-174.2	65.4	-10.4	0	0	0	113.2	R72 F80	R72-D82 WeakPolarHBondContact CB-OD1 3.36Å; R72-D82 WeakPolarHBondContact CG-OD1 3.38Å; R72-D82 IonicContact CZ-OD1 2.91Å; R72-D82 IonicContact CZ-OD2 2.75Å; R72-D82 IonicContact NE-OD1 2.76Å; R72-D82 PolarHBondContact NE-OD1 3.09Å; R72-D82 IonicContact NE-OD2 3.44Å; R72-D82 PolarHBondContact NE-OD2 2.76Å; R72-D82 VanDerWaalsContact NH2-CG 3.32Å; R72-D82 IonicContact NH2-OD1 3.05Å; R72-D82 IonicContact NH2-OD2 2.81Å; R72-D82 PolarHBondContact NH2-OD2 2.76Å; R72-D82 PolarHBondContact O-N 3.46Å; F80-D82 PolarHBondContact O-N 3.37Å
83	V	87.8	Confident	82	Confident	72 Å²	72	81.2 Å²	81.2	44%	0.436	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	135	177.5	-179.6	0	0	0	0	110.5	A71 R72	A71-V83 CarbonylContact C-O 3.56Å; A71-V83 VanDerWaalsContact CA-O 3.3Å; A71-V83 WeakPolarHBondContact CA-O 3.19Å; R72-V83 HydrophobicContact CB-CB 4.27Å; R72-V83 PolarHBondContact N-O 2.97Å
84	W	93.7	Very high	82.2	Confident	100 Å²	100	85.9 Å²	85.9	38%	0.379	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142	177.8	-67.8	77.7	0	0	0	111.2	V11 L19 Y69 A71 F81	V11-W84 HydrophobicContact CB-CH2 4.05Å; V11-W84 HydrophobicContact CB-CZ3 3.71Å; V11-W84 HydrophobicContact CG1-CH2 3.94Å; V11-W84 HydrophobicContact CG1-CZ3 3.89Å; V11-W84 HydrophobicContact CG2-CH2 3.78Å; V11-W84 HydrophobicContact CG2-CZ3 3.8Å; L19-W84 HydrophobicContact CD1-CH2 3.9Å; L19-W84 HydrophobicContact CD1-CZ2 4.38Å; L19-W84 HydrophobicContact CD1-CZ3 4.49Å; Y69-W84 HydrophobicContact CG-CE3 4.2Å; Y69-W84 HydrophobicContact CG-CZ3 4.36Å; A71-W84 HydrophobicContact CB-CD2 3.92Å; A71-W84 HydrophobicContact CB-CE3 3.9Å; A71-W84 HydrophobicContact CB-CG 4.45Å; A71-W84 HydrophobicContact CB-CH2 4.49Å; A71-W84 HydrophobicContact CB-CZ3 4.19Å; F81-W84 HydrophobicContact CB-CZ2 3.74Å; F81-W84 VanDerWaalsContact CB-NE1 3.35Å; F81-W84 AromaticContact CD2-CH2 3.76Å; F81-W84 HydrophobicContact CD2-CH2 3.76Å; F81-W84 AromaticContact CD2-CZ2 3.3Å; F81-W84 HydrophobicContact CD2-CZ2 3.3Å; F81-W84 HydrophobicContact CE2-CH2 4.24Å; F81-W84 HydrophobicContact CE2-CZ2 4.2Å; F81-W84 HydrophobicContact CG-CH2 4.42Å; F81-W84 AromaticContact CG-CZ2 3.79Å; F81-W84 HydrophobicContact CG-CZ2 3.79Å
85	G	94.1	Very high	82.8	Confident	26 Å²	26	89 Å²	89	27%	0.268	51%	0.51	S	S	.	.			trans	-69.4	161.4	164.5	0	0	0	0	0	111.4	C70 G87	C70-G85 PolarHBondContact O-N 2.98Å; G85-G87 PolarHBondContact O-N 3.47Å; G85-G87 VanDerWaalsContact O-N 3.09Å
86	A	95.8	Very high	83.2	Confident	108 Å²	108	96.7 Å²	96.7	89%	0.893	56%	0.56	S	S	*	*			trans	-62.2	-17.8	178.3	0	0	0	0	0	113.8
87	G	96	Very high	84.4	Confident	33 Å²	33	95.8 Å²	95.8	34%	0.34	55%	0.548	S	S	.	.			trans	86.9	158.8	-176.5	0	0	0	0	0	112.9	Y68 G85	Y68-G87 CarbonylContact O-C 3.6Å; Y68-G87 WeakPolarHBondContact O-CA 3.24Å; G85-G87 PolarHBondContact O-N 3.47Å; G85-G87 VanDerWaalsContact O-N 3.09Å
88	T	97.6	Very high	85.7	Confident	80 Å²	80	98.7 Å²	98.7	49%	0.491	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.4	136.9	173	-172.3	0	0	0	0	109.9	L67 Y68 V90	L67-T88 CarbonylContact C-O 3.46Å; L67-T88 WeakPolarHBondContact CA-O 3.4Å; Y68-T88 PolarHBondContact N-O 2.75Å; Y68-T88 PolarHBondContact O-N 2.59Å; T88-V90 HydrophobicContact CG2-CG2 4.43Å
89	T	97.8	Very high	87.3	Confident	91 Å²	91	98.7 Å²	98.7	56%	0.558	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.9	124.5	176.4	-58	0	0	0	0	108.9	L67	L67-T89 WeakPolarHBondContact CD2-OG1 3.29Å
90	V	97.2	Very high	88.9	Confident	41 Å²	41	91.4 Å²	91.4	25%	0.248	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	122.6	170.1	-179.3	0	0	0	0	107.8	M57 T65 A66 Y68 T88 V92	M57-V90 HydrophobicContact CE-CG1 4.24Å; M57-V90 HydrophobicContact SD-CG1 4.41Å; T65-V90 WeakPolarHBondContact CA-O 3.26Å; A66-V90 PolarHBondContact N-O 3.12Å; A66-V90 VanDerWaalsContact N-O 3.09Å; A66-V90 PolarHBondContact O-N 2.95Å; Y68-V90 HydrophobicContact CD2-CB 3.84Å; Y68-V90 HydrophobicContact CD2-CG2 3.73Å; Y68-V90 HydrophobicContact CE2-CB 3.8Å; Y68-V90 HydrophobicContact CE2-CG2 4.13Å; Y68-V90 HydrophobicContact CG-CG2 4.45Å; T88-V90 HydrophobicContact CG2-CG2 4.43Å; V90-V92 HydrophobicContact CG1-CG2 4.37Å
91	T	96.8	Very high	90.4	Very high	104 Å²	104	87.1 Å²	87.1	64%	0.638	54%	0.542	S	S	*	.			trans	-112.4	128.4	177.2	-55.4	0	0	0	0	109.5	T65	T65-T91 HydrophobicContact CG2-CG2 4.26Å
92	V	94.5	Very high	91.1	Very high	29 Å²	29	89.1 Å²	89.1	18%	0.176	56%	0.562	C	S	.	*			trans	-119.4	120	176.5	-174.7	0	0	0	0	107.6	V60 R61 S62 T65 V90	V60-V92 HydrophobicContact CB-CG2 4.19Å; V60-V92 HydrophobicContact CG2-CG1 4.14Å; V60-V92 HydrophobicContact CG2-CG2 4.12Å; R61-V92 WeakPolarHBondContact O-CB 3.31Å; R61-V92 WeakPolarHBondContact O-CG1 3.45Å; S62-V92 WeakPolarHBondContact CA-O 3.24Å; T65-V92 PolarHBondContact OG1-N 3.21Å; T65-V92 PolarHBondContact OG1-O 3.49Å; V90-V92 HydrophobicContact CG1-CG2 4.37Å
93	S	92.6	Very high	91.8	Very high	100 Å²	100	90.5 Å²	90.5	70%	0.699	58%	0.575	S	S	*	*			trans	-120.9	145.2	176	53	0	0	0	0	109.9
94	S	87.6	Confident	92.1	Very high	100 Å²	100	91.9 Å²	91.9	70%	0.699	59%	0.586	S	S	*	*			trans	-77.8	145.2	164.1	51.4	0	0	0	0	109.5
95	E	83.8	Confident	92	Very high	194 Å²	194	91.3 Å²	91.3	91%	0.907	60%	0.603	S	S	*	*			trans	-73.6	138.2	163.6	-68.5	-177.1	167.2	0	0	109.2
96	S	70.6	Confident	91.8	Very high	189 Å²	189	97.2 Å²	97.2	100%	1.322	63%	0.634	S	S	*	*			trans	-90.4	0	173.8	56.5	0	0	0	0	111.1

Retrieved 96 of 96 residues in 24.6 ms (Link to these results)

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