X5J564_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J564, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 94 aa.

						>X5J564_MOUSE|X5J564
GDLVKPGGSLKLSCAASGFTFSSYGMSWVRQTPDKRLEWVATISSGGSYTYYPDSVKGRFTISRDNAKNTLYLQMSSLKSEDTAMYYCARHPSS
					

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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	G	59.5	Low	81.2	Confident	122 Å²	122	96 Å²	96	100%	1.258	60%	0.599	S	S	*	*				0	132.8	0	0	0	0	0	0	107
2	D	67.9	Low	82.5	Confident	124 Å²	124	90.9 Å²	90.9	66%	0.663	56%	0.564	S	S	*	*			trans	-83.6	126.1	-174.5	-64.5	-21.1	0	0	0	110.1	L10	D2-L10 HydrophobicContact CB-CD1 3.86Å
3	L	72.4	Confident	83.7	Confident	180 Å²	180	90.2 Å²	90.2	94%	0.942	57%	0.565	S	S	*	*			trans	-84.5	115.7	174.5	-67.2	173	0	0	0	108.7
4	V	76.9	Confident	84.7	Confident	56 Å²	56	85.2 Å²	85.2	34%	0.339	53%	0.534	S	S	.	.			trans	-116.6	137.6	179.2	-174.2	0	0	0	0	109.2	L10 L78	V4-L10 HydrophobicContact CG2-CB 4.1Å; V4-L10 HydrophobicContact CG2-CD1 4.01Å; V4-L10 HydrophobicContact CG2-CD2 4.33Å; V4-L10 HydrophobicContact CG2-CG 4.37Å; V4-L78 HydrophobicContact CB-CD1 4.01Å; V4-L78 HydrophobicContact CG1-CD1 3.9Å
5	K	79.4	Confident	85.5	Confident	179 Å²	179	84.9 Å²	84.9	78%	0.778	54%	0.543	S	S	*	.			trans	-66.4	149.5	175.9	-65.7	-177.8	-179.3	179.6	0	110.5	G7 G8	K5-G7 PolarHBondContact O-N 3.39Å; K5-G8 PolarHBondContact O-N 3.32Å
6	P	78.7	Confident	86.1	Confident	98 Å²	98	80.6 Å²	80.6	64%	0.636	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	141.5	170.3	-25.8	34.3	0	0	0	111.7	G8	P6-G8 PolarHBondContact O-N 3.48Å
7	G	83.1	Confident	86.6	Confident	55 Å²	55	82.1 Å²	82.1	57%	0.567	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-10.7	-173.4	0	0	0	0	0	114.7	K5 L78	K5-G7 PolarHBondContact O-N 3.39Å; G7-L78 PolarHBondContact N-O 2.78Å
8	G	90.4	Very high	87	Confident	24 Å²	24	82.4 Å²	82.4	25%	0.247	55%	0.552	C	S	.	*			trans	-73.9	179.4	175.6	0	0	0	0	0	113.7	K5 P6 S77 L78	K5-G8 PolarHBondContact O-N 3.32Å; P6-G8 PolarHBondContact O-N 3.48Å; G8-S77 PolarHBondContact O-N 3.01Å; G8-L78 WeakPolarHBondContact O-CG 3.33Å; G8-L78 PolarHBondContact O-N 2.89Å; G8-L78 VanDerWaalsContact O-N 3.09Å
9	S	93.6	Very high	87.3	Confident	69 Å²	69	80.9 Å²	80.9	48%	0.483	54%	0.535	S	S	.	.			trans	-125	145.1	177.3	-59.1	0	0	0	0	110.7	M75	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.4Å; S9-M75 WeakPolarHBondContact CB-O 3.33Å
10	L	94.4	Very high	87.6	Confident	30 Å²	30	81.2 Å²	81.2	16%	0.157	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.1	176.6	-176.8	59.3	0	0	0	109.2	D2 V4 L12 Q74 M75 L78	D2-L10 HydrophobicContact CB-CD1 3.86Å; V4-L10 HydrophobicContact CG2-CB 4.1Å; V4-L10 HydrophobicContact CG2-CD1 4.01Å; V4-L10 HydrophobicContact CG2-CD2 4.33Å; V4-L10 HydrophobicContact CG2-CG 4.37Å; L10-L12 HydrophobicContact CD2-CD2 3.69Å; L10-L12 HydrophobicContact CD2-CG 4.48Å; L10-L12 HydrophobicContact CG-CD2 4.03Å; L10-Q74 PolarHBondContact O-NE2 2.84Å; L10-M75 PolarHBondContact N-O 3.26Å; L10-M75 PolarHBondContact O-N 3.33Å; L10-L78 HydrophobicContact CB-CD1 3.96Å
11	K	96.4	Very high	88	Confident	119 Å²	119	77.3 Å²	77.3	52%	0.517	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	114.2	170.4	-172.1	176.6	178.1	179.2	0	109.8	L73	K11-L73 CarbonylContact C-O 3.46Å; K11-L73 WeakPolarHBondContact CA-O 3.32Å
12	L	97.4	Very high	89.6	Confident	35 Å²	35	74.2 Å²	74.2	18%	0.183	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	150.1	171.8	-55.4	-178.6	0	0	0	110.2	L10 W28 Y72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.69Å; L10-L12 HydrophobicContact CD2-CG 4.48Å; L10-L12 HydrophobicContact CG-CD2 4.03Å; L12-W28 HydrophobicContact CB-CH2 3.67Å; L12-W28 HydrophobicContact CB-CZ2 3.92Å; L12-W28 HydrophobicContact CB-CZ3 4.22Å; L12-W28 HydrophobicContact CD1-CE3 4.39Å; L12-W28 HydrophobicContact CD1-CH2 4.37Å; L12-W28 HydrophobicContact CD1-CZ3 4.06Å; L12-Y72 VanDerWaalsContact O-CA 3.28Å; L12-Y72 WeakPolarHBondContact O-CA 3.34Å; L12-L73 HydrophobicContact CB-CB 4.24Å; L12-L73 HydrophobicContact CD1-CD2 4.37Å; L12-L73 PolarHBondContact N-O 2.8Å; L12-L73 PolarHBondContact O-N 3.17Å; L12-M75 HydrophobicContact CD1-SD 3.7Å; L12-M75 HydrophobicContact CG-SD 3.87Å; L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.29Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å
13	S	97.8	Very high	90.8	Very high	82 Å²	82	72 Å²	72	57%	0.573	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.4	172.5	67.9	0	0	0	0	110.6	L71	S13-L71 CarbonylContact C-O 3.6Å; S13-L71 WeakPolarHBondContact CA-O 3.39Å
14	C	97.5	Very high	91.9	Very high	20 Å²	20	65.8 Å²	65.8	14%	0.135	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	110.2	175.4	163.7	0	0	0	0	109.3	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.15Å; C14-L71 HydrophobicContact CB-CB 4.4Å; C14-L71 PolarHBondContact N-O 2.47Å; C14-L71 PolarHBondContact O-N 3.14Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.67Å
15	A	97.2	Very high	92.8	Very high	80 Å²	80	64 Å²	64	66%	0.661	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	125	172.8	0	0	0	0	0	109.5
16	A	94.9	Very high	93.6	Very high	17 Å²	17	55.7 Å²	55.7	14%	0.14	38%	0.383	C	S	.	.			trans	-95.5	144.7	179.1	0	0	0	0	0	111.2	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.84Å; A16-F19 HydrophobicContact CB-CE2 4.41Å; A16-F19 HydrophobicContact CB-CZ 3.58Å; A16-F21 HydrophobicContact CB-CD2 3.58Å; A16-F21 HydrophobicContact CB-CE2 4.2Å; A16-F21 HydrophobicContact CB-CG 4.43Å; A16-N69 PolarHBondContact N-O 3.27Å
17	S	94.9	Very high	94.5	Very high	106 Å²	106	51.1 Å²	51.1	74%	0.741	35%	0.354	S	S	*	.			trans	-143.1	162.5	173.3	61	0	0	0	0	110.1	F19	S17-F19 WeakPolarHBondContact O-CD1 3.42Å
18	G	94.1	Very high	95.2	Very high	88 Å²	88	48.9 Å²	48.9	91%	0.907	33%	0.328	S	S	*	.	S	Bend	trans	81.7	6.4	178.3	0	0	0	0	0	115.7
19	F	91.6	Very high	95.6	Very high	53 Å²	53	48.6 Å²	48.6	23%	0.232	32%	0.322	C	S	.	.	S	Bend	trans	-159.4	164	173	63.7	-83.7	0	0	0	112.3	A16 S17 F21 Y24 M26 R90	A16-F19 HydrophobicContact CB-CE1 3.84Å; A16-F19 HydrophobicContact CB-CE2 4.41Å; A16-F19 HydrophobicContact CB-CZ 3.58Å; S17-F19 WeakPolarHBondContact O-CD1 3.42Å; F19-F21 HydrophobicContact CE2-CB 4.27Å; F19-F21 HydrophobicContact CE2-CD2 4.24Å; F19-F21 HydrophobicContact CZ-CD2 4.39Å; F19-F21 PolarHBondContact O-N 2.83Å; F19-Y24 HydrophobicContact CB-CE2 4.47Å; F19-Y24 AromaticContact CD2-CD2 3.73Å; F19-Y24 HydrophobicContact CD2-CD2 3.73Å; F19-Y24 HydrophobicContact CD2-CE2 4.04Å; F19-Y24 HydrophobicContact CE2-CD2 4.24Å; F19-M26 HydrophobicContact CE2-SD 4.12Å; F19-M26 HydrophobicContact CZ-CE 4.27Å; F19-M26 HydrophobicContact CZ-SD 4.19Å; F19-R90 VanDerWaalsContact CD2-CD 3.49Å; F19-R90 HydrophobicContact CE2-CG 4.01Å; F19-R90 HydrophobicContact CZ-CB 4.34Å; F19-R90 HydrophobicContact CZ-CG 4.31Å
20	T	94.1	Very high	95.7	Very high	87 Å²	87	46 Å²	46	53%	0.534	30%	0.301	S	S	.	.			trans	-73.5	90.5	174.2	-49.7	0	0	0	0	110.6	S22 S23 Y24	T20-S22 PolarHBondContact O-N 3.02Å; T20-S23 VanDerWaalsContact CG2-OG 3.25Å; T20-S23 WeakPolarHBondContact CG2-OG 3.33Å; T20-S23 WeakPolarHBondContact O-CB 3.32Å; T20-S23 PolarHBondContact O-N 3.06Å; T20-Y24 VanDerWaalsContact O-CD2 3.3Å; T20-Y24 WeakPolarHBondContact O-CD2 3.39Å
21	F	94.7	Very high	95.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-52.1	-39.4	-175.5	177.3	-98.4	0	0	0	114.1	A16 F19 S23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CD2 3.58Å; A16-F21 HydrophobicContact CB-CE2 4.2Å; A16-F21 HydrophobicContact CB-CG 4.43Å; F19-F21 HydrophobicContact CE2-CB 4.27Å; F19-F21 HydrophobicContact CE2-CD2 4.24Å; F19-F21 HydrophobicContact CZ-CD2 4.39Å; F19-F21 PolarHBondContact O-N 2.83Å; F21-S23 PolarHBondContact O-N 2.95Å; F21-Y24 PolarHBondContact O-N 2.83Å; F21-M26 HydrophobicContact CD2-CE 4.3Å; F21-M26 HydrophobicContact CD2-CG 4.09Å; F21-M26 HydrophobicContact CD2-SD 4.04Å; F21-M26 HydrophobicContact CE2-CE 3.94Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.95Å; F21-M26 HydrophobicContact CZ-CG 3.99Å; F21-R64 VanDerWaalsContact CD1-NH2 3.28Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 VanDerWaalsContact CE1-NH2 3.25Å; F21-R64 HydrophobicContact CZ-CB 4.18Å; F21-R64 PolarHBondContact O-NH2 2.92Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.41Å; F21-N69 HydrophobicContact CB-CB 3.89Å; F21-N69 WeakPolarHBondContact CB-OD1 3.27Å; F21-N69 HydrophobicContact CD1-CB 4.47Å; F21-N69 HydrophobicContact CG-CB 4.14Å; F21-L71 HydrophobicContact CE2-CB 4.35Å; F21-L71 HydrophobicContact CZ-CB 4.24Å
22	S	94.4	Very high	95.8	Very high	56 Å²	56	42.7 Å²	42.7	39%	0.392	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-65.7	-18.1	178.7	55.4	0	0	0	0	114.2	T20 S45	T20-S22 PolarHBondContact O-N 3.02Å; S22-S45 VanDerWaalsContact O-CB 3.29Å; S22-S45 WeakPolarHBondContact O-CB 3.46Å
23	S	93.9	Very high	95.5	Very high	77 Å²	77	46.5 Å²	46.5	54%	0.538	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-82.8	-11.8	178.5	-57.1	0	0	0	0	113.5	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.25Å; T20-S23 WeakPolarHBondContact CG2-OG 3.33Å; T20-S23 WeakPolarHBondContact O-CB 3.32Å; T20-S23 PolarHBondContact O-N 3.06Å; F21-S23 PolarHBondContact O-N 2.95Å
24	Y	94.3	Very high	95.3	Very high	51 Å²	51	47.5 Å²	47.5	20%	0.2	31%	0.314	C	S	.	.	S	Bend	trans	-120.1	145.3	-172.2	-64.3	-95.1	0	0	0	113.3	F19 T20 F21 S45 R64 R90 H91 S93	F19-Y24 HydrophobicContact CB-CE2 4.47Å; F19-Y24 AromaticContact CD2-CD2 3.73Å; F19-Y24 HydrophobicContact CD2-CD2 3.73Å; F19-Y24 HydrophobicContact CD2-CE2 4.04Å; F19-Y24 HydrophobicContact CE2-CD2 4.24Å; T20-Y24 VanDerWaalsContact O-CD2 3.3Å; T20-Y24 WeakPolarHBondContact O-CD2 3.39Å; F21-Y24 PolarHBondContact O-N 2.83Å; Y24-S45 WeakPolarHBondContact O-CA 3.26Å; Y24-R64 PolarHBondContact O-NH1 3.41Å; Y24-R90 VanDerWaalsContact CB-CG 3.5Å; Y24-R90 HydrophobicContact CD1-CG 3.65Å; Y24-R90 HydrophobicContact CD2-CG 4.37Å; Y24-R90 HydrophobicContact CE1-CG 4.44Å; Y24-R90 VanDerWaalsContact CG-CD 3.42Å; Y24-R90 HydrophobicContact CG-CG 3.6Å; Y24-H91 WeakPolarHBondContact CD1-O 3.25Å; Y24-S93 WeakPolarHBondContact CE1-OG 3.14Å
25	G	95.6	Very high	95.1	Very high	18 Å²	18	54.4 Å²	54.4	19%	0.186	34%	0.341	C	S	.	.			trans	-65.9	143.3	158.8	0	0	0	0	0	110.1	I43 H91	G25-I43 CarbonylContact C-O 3.49Å; G25-I43 VanDerWaalsContact CA-O 3.32Å; G25-I43 WeakPolarHBondContact CA-O 3.5Å; G25-H91 PolarHBondContact O-N 2.96Å
26	M	97.2	Very high	94.9	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.02	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.1	-176.7	-62.9	-62.5	-57.6	0	0	109.6	F19 F21 I43 L71 R90	F19-M26 HydrophobicContact CE2-SD 4.12Å; F19-M26 HydrophobicContact CZ-CE 4.27Å; F19-M26 HydrophobicContact CZ-SD 4.19Å; F21-M26 HydrophobicContact CD2-CE 4.3Å; F21-M26 HydrophobicContact CD2-CG 4.09Å; F21-M26 HydrophobicContact CD2-SD 4.04Å; F21-M26 HydrophobicContact CE2-CE 3.94Å; F21-M26 HydrophobicContact CE2-CG 3.55Å; F21-M26 HydrophobicContact CE2-SD 3.95Å; F21-M26 HydrophobicContact CZ-CG 3.99Å; M26-I43 HydrophobicContact CB-CG2 4.19Å; M26-I43 PolarHBondContact N-O 2.88Å; M26-I43 WeakPolarHBondContact O-CG2 3.4Å; M26-I43 PolarHBondContact O-N 2.85Å; M26-L71 HydrophobicContact CB-CD1 3.79Å; M26-L71 HydrophobicContact CB-CD2 3.97Å; M26-L71 HydrophobicContact CB-CG 4.43Å; M26-R90 HydrophobicContact CE-CB 4.19Å; M26-R90 HydrophobicContact SD-CB 3.83Å; M26-R90 HydrophobicContact SD-CG 3.84Å
27	S	97.5	Very high	94.9	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.014	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.1	-175.9	-60.9	0	0	0	0	111.9	A41 T42 C88 A89	S27-A41 CarbonylContact C-O 3.44Å; S27-A41 WeakPolarHBondContact CA-O 3.48Å; S27-A41 WeakPolarHBondContact CB-O 3.41Å; S27-T42 WeakPolarHBondContact OG-CB 3.17Å; S27-T42 WeakPolarHBondContact OG-CG2 3.43Å; S27-T42 PolarHBondContact OG-OG1 3.36Å; S27-C88 CarbonylContact O-C 3.49Å; S27-C88 WeakPolarHBondContact O-CA 3.45Å; S27-A89 PolarHBondContact N-O 3.11Å; S27-A89 PolarHBondContact O-N 3.45Å
28	W	98.1	Very high	95	Very high	8 Å²	8	58.4 Å²	58.4	3%	0.03	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.6	162.1	-74.7	96.3	0	0	0	109.5	L12 C14 V40 A41 L71 Y72 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.67Å; L12-W28 HydrophobicContact CB-CZ2 3.92Å; L12-W28 HydrophobicContact CB-CZ3 4.22Å; L12-W28 HydrophobicContact CD1-CE3 4.39Å; L12-W28 HydrophobicContact CD1-CH2 4.37Å; L12-W28 HydrophobicContact CD1-CZ3 4.06Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.95Å; W28-V40 HydrophobicContact CB-CB 4.07Å; W28-V40 WeakPolarHBondContact O-CB 3.32Å; W28-V40 PolarHBondContact O-N 2.84Å; W28-A41 PolarHBondContact N-O 2.83Å; W28-A41 PolarHBondContact O-N 2.8Å; W28-L71 HydrophobicContact CD2-CD2 4.42Å; W28-L71 HydrophobicContact CG-CD2 4.29Å; W28-L71 VanDerWaalsContact NE1-CD2 3.32Å; W28-Y72 PolarHBondContact NE1-O 2.8Å; W28-L73 HydrophobicContact CB-CD2 4.2Å; W28-L73 HydrophobicContact CD2-CB 4.13Å; W28-L73 HydrophobicContact CD2-CD2 4.31Å; W28-L73 HydrophobicContact CG-CB 4.12Å; W28-L73 HydrophobicContact CG-CD1 4.42Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.34Å; W28-Y87 WeakPolarHBondContact CA-O 3.44Å; W28-C88 HydrophobicContact CE3-CB 4.45Å; W28-C88 HydrophobicContact CH2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.37Å
29	V	97.4	Very high	95.1	Very high	18 Å²	18	61.1 Å²	61.1	11%	0.109	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.7	173.9	-175.7	0	0	0	0	107	L37 E38 W39 Y87 A89	V29-L37 HydrophobicContact CG1-CB 4.31Å; V29-L37 HydrophobicContact CG1-CD2 4.08Å; V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.47Å; V29-W39 HydrophobicContact CG2-CD2 4.22Å; V29-W39 HydrophobicContact CG2-CE3 3.56Å; V29-W39 HydrophobicContact CG2-CH2 4.17Å; V29-W39 HydrophobicContact CG2-CZ3 3.52Å; V29-Y87 PolarHBondContact N-O 2.9Å; V29-Y87 PolarHBondContact O-N 3.46Å; V29-Y87 VanDerWaalsContact O-O 3.14Å; V29-A89 HydrophobicContact CG2-CB 4.18Å
30	R	96.9	Very high	95.3	Very high	15 Å²	15	58.6 Å²	58.6	6%	0.057	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.3	171.6	70.8	-177.2	-178	-176.2	6.5	111.2	L37 E38 V40 D82 A84 M85 Y86	R30-L37 WeakPolarHBondContact O-CA 3.16Å; R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 2.9Å; R30-E38 VanDerWaalsContact CZ-OE2 3.3Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 3.88Å; R30-E38 PolarHBondContact NE-OE2 3.49Å; R30-E38 IonicContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact NH2-OE2 3.18Å; R30-E38 PolarHBondContact O-N 2.77Å; R30-V40 HydrophobicContact CB-CG2 3.77Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; R30-D82 IonicContact NH1-OD1 3.15Å; R30-D82 PolarHBondContact NH1-OD1 3.1Å; R30-D82 VanDerWaalsContact NH1-OD1 3.1Å; R30-A84 HydrophobicContact CB-CB 3.81Å; R30-A84 HydrophobicContact CG-CB 4.12Å; R30-M85 CarbonylContact C-O 3.58Å; R30-M85 WeakPolarHBondContact CA-O 3.34Å; R30-Y86 HydrophobicContact CB-CD1 3.87Å; R30-Y86 HydrophobicContact CB-CD2 4.43Å; R30-Y86 HydrophobicContact CB-CE1 3.77Å; R30-Y86 HydrophobicContact CB-CE2 4.33Å; R30-Y86 HydrophobicContact CB-CG 4.19Å; R30-Y86 WeakPolarHBondContact CD-OH 3.44Å; R30-Y86 HydrophobicContact CG-CE1 4.44Å; R30-Y86 PolarHBondContact NH1-OH 2.95Å
31	Q	97	Very high	95.5	Very high	64 Å²	64	54.5 Å²	54.5	30%	0.299	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	113.4	168.6	-170.6	174.7	48.9	0	0	108.9	R36 L37 A84 M85 Y87	Q31-R36 VanDerWaalsContact CA-O 3.32Å; Q31-R36 WeakPolarHBondContact CA-O 3.23Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 4.09Å; Q31-A84 WeakPolarHBondContact O-CB 3.19Å; Q31-M85 PolarHBondContact N-O 2.86Å; Q31-M85 PolarHBondContact O-N 3.01Å; Q31-Y87 HydrophobicContact CB-CD2 4.49Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å
32	T	94.4	Very high	95.6	Very high	15 Å²	15	56 Å²	56	9%	0.092	29%	0.285	C	S	.	.			trans	-71.8	163.6	176.4	44	0	0	0	0	111	D34 K35 R36 A84	T32-D34 WeakPolarHBondContact CB-OD1 3.49Å; T32-D34 PolarHBondContact O-N 3.23Å; T32-D34 VanDerWaalsContact O-N 3.14Å; T32-D34 PolarHBondContact OG1-OD1 3.25Å; T32-K35 WeakPolarHBondContact O-CA 3.02Å; T32-K35 PolarHBondContact O-N 3.03Å; T32-R36 PolarHBondContact N-O 3.2Å; T32-R36 WeakPolarHBondContact OG1-CB 2.98Å; T32-R36 PolarHBondContact OG1-N 3.09Å; T32-R36 PolarHBondContact OG1-O 3.45Å; T32-R36 VanDerWaalsContact OG1-O 3.06Å; T32-A84 HydrophobicContact CG2-CB 4.47Å
33	P	92.5	Very high	95.8	Very high	116 Å²	116	53.6 Å²	53.6	75%	0.753	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.9	-178.7	-27.8	36.3	0	0	0	115.1	K35	P33-K35 PolarHBondContact O-N 3.1Å
34	D	94.1	Very high	95.9	Very high	103 Å²	103	51.2 Å²	51.2	55%	0.551	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	9.5	172.9	67.6	-18.5	0	0	0	113.5	T32 R36	T32-D34 WeakPolarHBondContact CB-OD1 3.49Å; T32-D34 PolarHBondContact O-N 3.23Å; T32-D34 VanDerWaalsContact O-N 3.14Å; T32-D34 PolarHBondContact OG1-OD1 3.25Å; D34-R36 PolarHBondContact O-N 3.22Å; D34-R36 PolarHBondContact OD1-N 2.95Å
35	K	91.9	Very high	95.9	Very high	164 Å²	164	51.3 Å²	51.3	71%	0.713	26%	0.259	S	S	*	.			trans	67.9	11.3	179	-52.8	-179.8	179.9	178.6	0	115.4	T32 P33	T32-K35 WeakPolarHBondContact O-CA 3.02Å; T32-K35 PolarHBondContact O-N 3.03Å; P33-K35 PolarHBondContact O-N 3.1Å
36	R	94.1	Very high	95.6	Very high	141 Å²	141	53.2 Å²	53.2	53%	0.532	28%	0.279	S	S	.	.			trans	-71.1	135.3	172.2	-176.9	172.3	70.8	-149.8	3.1	110.5	Q31 T32 D34 E38	Q31-R36 VanDerWaalsContact CA-O 3.32Å; Q31-R36 WeakPolarHBondContact CA-O 3.23Å; T32-R36 PolarHBondContact N-O 3.2Å; T32-R36 WeakPolarHBondContact OG1-CB 2.98Å; T32-R36 PolarHBondContact OG1-N 3.09Å; T32-R36 PolarHBondContact OG1-O 3.45Å; T32-R36 VanDerWaalsContact OG1-O 3.06Å; D34-R36 PolarHBondContact O-N 3.22Å; D34-R36 PolarHBondContact OD1-N 2.95Å; R36-E38 HydrophobicContact CG-CG 4.28Å; R36-E38 IonicContact CZ-OE1 2.83Å; R36-E38 IonicContact NE-OE1 2.8Å; R36-E38 PolarHBondContact NE-OE1 2.78Å; R36-E38 IonicContact NH2-OE1 3.3Å; R36-E38 PolarHBondContact NH2-OE1 3.12Å
37	L	95	Very high	95.3	Very high	113 Å²	113	54.4 Å²	54.4	59%	0.592	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.5	173.4	-70	172.3	0	0	0	110	V29 R30 Q31	V29-L37 HydrophobicContact CG1-CB 4.31Å; V29-L37 HydrophobicContact CG1-CD2 4.08Å; R30-L37 WeakPolarHBondContact O-CA 3.16Å; Q31-L37 HydrophobicContact CB-CD2 3.79Å; Q31-L37 HydrophobicContact CG-CD2 4.09Å
38	E	95.6	Very high	95.1	Very high	34 Å²	34	60 Å²	60	16%	0.159	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.5	-179.3	-62.9	-178.5	171.2	0	0	110.6	V29 R30 R36	V29-E38 CarbonylContact C-O 3.54Å; V29-E38 WeakPolarHBondContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CG1-O 3.47Å; R30-E38 HydrophobicContact CG-CB 3.99Å; R30-E38 IonicContact CZ-OE2 2.9Å; R30-E38 VanDerWaalsContact CZ-OE2 3.3Å; R30-E38 PolarHBondContact N-O 2.83Å; R30-E38 IonicContact NE-OE2 3.88Å; R30-E38 PolarHBondContact NE-OE2 3.49Å; R30-E38 IonicContact NH2-OE2 3.1Å; R30-E38 PolarHBondContact NH2-OE2 3.18Å; R30-E38 PolarHBondContact O-N 2.77Å; R36-E38 HydrophobicContact CG-CG 4.28Å; R36-E38 IonicContact CZ-OE1 2.83Å; R36-E38 IonicContact NE-OE1 2.8Å; R36-E38 PolarHBondContact NE-OE1 2.78Å; R36-E38 IonicContact NH2-OE1 3.3Å; R36-E38 PolarHBondContact NH2-OE1 3.12Å
39	W	95.9	Very high	95	Very high	144 Å²	144	66 Å²	66	55%	0.545	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.4	168.9	-67.2	100.9	0	0	0	110.2	V29 P53	V29-W39 HydrophobicContact CG2-CD2 4.22Å; V29-W39 HydrophobicContact CG2-CE3 3.56Å; V29-W39 HydrophobicContact CG2-CH2 4.17Å; V29-W39 HydrophobicContact CG2-CZ3 3.52Å; W39-P53 WeakPolarHBondContact O-CG 3.28Å
40	V	97.5	Very high	95.1	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-47.7	-179.2	179.4	0	0	0	0	110.9	W28 R30 P53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.07Å; W28-V40 WeakPolarHBondContact O-CB 3.32Å; W28-V40 PolarHBondContact O-N 2.84Å; R30-V40 HydrophobicContact CB-CG2 3.77Å; R30-V40 HydrophobicContact CG-CG2 3.6Å; V40-P53 WeakPolarHBondContact O-CD 3.01Å; V40-V56 HydrophobicContact CG1-CG2 4.4Å; V40-V56 VanDerWaalsContact O-CG2 3.26Å; V40-V56 WeakPolarHBondContact O-CG2 3.32Å; V40-F60 HydrophobicContact CG1-CD2 3.67Å; V40-F60 HydrophobicContact CG1-CE2 4.07Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; V40-Y86 HydrophobicContact CG1-CE1 4.23Å; V40-Y86 HydrophobicContact CG2-CD1 4.27Å; V40-Y86 HydrophobicContact CG2-CE1 3.89Å
41	A	97.9	Very high	95.1	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.008	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	151.4	176.6	0	0	0	0	0	110.4	S27 W28 Y51 Y52 I62 L73	S27-A41 CarbonylContact C-O 3.44Å; S27-A41 WeakPolarHBondContact CA-O 3.48Å; S27-A41 WeakPolarHBondContact CB-O 3.41Å; W28-A41 PolarHBondContact N-O 2.83Å; W28-A41 PolarHBondContact O-N 2.8Å; A41-Y51 VanDerWaalsContact CA-O 3.3Å; A41-Y51 WeakPolarHBondContact CA-O 3.41Å; A41-Y52 HydrophobicContact CB-CD1 3.68Å; A41-Y52 HydrophobicContact CB-CE1 3.71Å; A41-I62 HydrophobicContact CB-CB 3.75Å; A41-I62 HydrophobicContact CB-CD1 3.92Å; A41-I62 HydrophobicContact CB-CG1 4.39Å; A41-I62 HydrophobicContact CB-CG2 3.96Å; A41-L73 HydrophobicContact CB-CD1 4.18Å
42	T	97.4	Very high	95.1	Very high	31 Å²	31	71.9 Å²	71.9	19%	0.19	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.5	175.3	-64.7	0	0	0	0	109.8	S27 T50 Y51	S27-T42 WeakPolarHBondContact OG-CB 3.17Å; S27-T42 WeakPolarHBondContact OG-CG2 3.43Å; S27-T42 PolarHBondContact OG-OG1 3.36Å; T42-T50 CarbonylContact O-C 3.55Å; T42-T50 WeakPolarHBondContact O-CA 3.3Å; T42-Y51 PolarHBondContact N-O 3.09Å; T42-Y51 PolarHBondContact O-N 3.32Å
43	I	97.6	Very high	95.2	Very high	7 Å²	7	72.2 Å²	72.2	4%	0.036	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.3	174.2	-171.1	161.5	0	0	0	110	G25 M26 Y49 T50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.49Å; G25-I43 VanDerWaalsContact CA-O 3.32Å; G25-I43 WeakPolarHBondContact CA-O 3.5Å; M26-I43 HydrophobicContact CB-CG2 4.19Å; M26-I43 PolarHBondContact N-O 2.88Å; M26-I43 WeakPolarHBondContact O-CG2 3.4Å; M26-I43 PolarHBondContact O-N 2.85Å; I43-Y49 WeakPolarHBondContact CA-O 3.35Å; I43-T50 HydrophobicContact CB-CG2 4.16Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; I43-I62 HydrophobicContact CB-CD1 3.99Å; I43-I62 HydrophobicContact CB-CG1 4.23Å; I43-I62 HydrophobicContact CB-CG2 4Å; I43-I62 HydrophobicContact CG2-CD1 3.67Å; I43-I62 HydrophobicContact CG2-CG1 3.99Å; I43-R64 HydrophobicContact CD1-CB 4.31Å; I43-R64 HydrophobicContact CD1-CG 3.79Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; I43-L71 HydrophobicContact CG2-CD1 3.57Å
44	S	96.2	Very high	95.4	Very high	27 Å²	27	73.4 Å²	73.4	19%	0.189	38%	0.383	C	S	.	.			trans	-62.6	163.5	175.6	56.2	0	0	0	0	112.7	G46 G47 S48 Y49 R64	S44-G46 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 3.08Å; S44-G47 PolarHBondContact O-N 3.4Å; S44-G47 PolarHBondContact OG-N 2.67Å; S44-S48 PolarHBondContact OG-N 2.96Å; S44-Y49 PolarHBondContact N-O 2.67Å; S44-Y49 PolarHBondContact OG-N 2.91Å; S44-Y49 PolarHBondContact OG-O 2.9Å; S44-R64 PolarHBondContact O-NH1 3.33Å
45	S	94.3	Very high	95.4	Very high	52 Å²	52	71.5 Å²	71.5	36%	0.364	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-45.7	177	49.1	0	0	0	0	113.4	S22 Y24 R64	S22-S45 VanDerWaalsContact O-CB 3.29Å; S22-S45 WeakPolarHBondContact O-CB 3.46Å; Y24-S45 WeakPolarHBondContact O-CA 3.26Å; S45-R64 PolarHBondContact O-NE 3.16Å; S45-R64 PolarHBondContact O-NH1 3Å; S45-R64 PolarHBondContact O-NH2 2.83Å
46	G	88.3	Confident	95.6	Very high	59 Å²	59	63.7 Å²	63.7	61%	0.608	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.5	177.1	0	0	0	0	0	114.9	S44 S48	S44-G46 VanDerWaalsContact C-N 3.31Å; S44-G46 PolarHBondContact O-N 3.08Å; G46-S48 PolarHBondContact O-N 3Å
47	G	92.9	Very high	95.7	Very high	29 Å²	29	63.3 Å²	63.3	30%	0.299	35%	0.346	S	S	.	.	S	Bend	trans	76.4	0.3	-177.1	0	0	0	0	0	115.7	S44	S44-G47 PolarHBondContact O-N 3.4Å; S44-G47 PolarHBondContact OG-N 2.67Å
48	S	93.1	Very high	95.7	Very high	118 Å²	118	62 Å²	62	83%	0.825	36%	0.359	S	S	*	.	S	Bend	trans	-72.1	-33.3	-177.9	54.9	0	0	0	0	113.3	S44 G46	S44-S48 PolarHBondContact OG-N 2.96Å; G46-S48 PolarHBondContact O-N 3Å
49	Y	95.9	Very high	95.8	Very high	135 Å²	135	62 Å²	62	53%	0.529	36%	0.358	S	S	.	.			trans	-107.7	132.8	176.2	178.4	-95.8	0	0	0	111.3	I43 S44	I43-Y49 WeakPolarHBondContact CA-O 3.35Å; S44-Y49 PolarHBondContact N-O 2.67Å; S44-Y49 PolarHBondContact OG-N 2.91Å; S44-Y49 PolarHBondContact OG-O 2.9Å
50	T	97.7	Very high	95.9	Very high	60 Å²	60	55.3 Å²	55.3	37%	0.368	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.2	169.3	58	0	0	0	0	110.9	T42 I43 I62	T42-T50 CarbonylContact O-C 3.55Å; T42-T50 WeakPolarHBondContact O-CA 3.3Å; I43-T50 HydrophobicContact CB-CG2 4.16Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.83Å; T50-I62 HydrophobicContact CG2-CG2 3.83Å
51	Y	97.4	Very high	95.9	Very high	116 Å²	116	59 Å²	59	46%	0.455	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140	174.7	173.2	-95.4	0	0	0	110.3	A41 T42	A41-Y51 VanDerWaalsContact CA-O 3.3Å; A41-Y51 WeakPolarHBondContact CA-O 3.41Å; T42-Y51 PolarHBondContact N-O 3.09Å; T42-Y51 PolarHBondContact O-N 3.32Å
52	Y	97.9	Very high	95.9	Very high	44 Å²	44	59.2 Å²	59.2	17%	0.173	36%	0.356	C	S	.	.			trans	-135.8	132.2	175.3	-55.5	-88.5	0	0	0	109.3	A41 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.68Å; A41-Y52 HydrophobicContact CB-CE1 3.71Å; Y52-F60 VanDerWaalsContact CE1-O 3.27Å; Y52-F60 WeakPolarHBondContact CE1-O 3.43Å; Y52-T61 WeakPolarHBondContact OH-CA 3.32Å; Y52-I62 HydrophobicContact CE1-CB 4.28Å; Y52-I62 HydrophobicContact CE1-CG2 3.94Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.49Å; Y52-I62 PolarHBondContact OH-N 2.99Å
53	P	96.6	Very high	96	Very high	22 Å²	22	60.1 Å²	60.1	14%	0.143	36%	0.364	C	S	.	.			trans	-68.4	154.5	167.1	15.3	-8.3	0	0	0	111.2	W39 V40 S55 V56 K57	W39-P53 WeakPolarHBondContact O-CG 3.28Å; V40-P53 WeakPolarHBondContact O-CD 3.01Å; P53-S55 PolarHBondContact O-N 2.94Å; P53-S55 VanDerWaalsContact O-N 3.09Å; P53-V56 HydrophobicContact CG-CG2 4.13Å; P53-V56 PolarHBondContact O-N 2.8Å; P53-V56 VanDerWaalsContact O-N 3.1Å; P53-K57 PolarHBondContact O-N 3.34Å
54	D	95.8	Very high	96	Very high	141 Å²	141	61.5 Å²	61.5	75%	0.754	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.7	-175.3	-65.8	-34.3	0	0	0	113.5	V56	D54-V56 PolarHBondContact O-N 3.23Å
55	S	93.7	Very high	96	Very high	63 Å²	63	62.1 Å²	62.1	44%	0.441	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.5	177	56.6	0	0	0	0	114	P53 R59	P53-S55 PolarHBondContact O-N 2.94Å; P53-S55 VanDerWaalsContact O-N 3.09Å; S55-R59 PolarHBondContact O-NH2 3.3Å
56	V	96.4	Very high	96.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-6.9	-175.2	-59.5	0	0	0	0	113.6	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.4Å; V40-V56 VanDerWaalsContact O-CG2 3.26Å; V40-V56 WeakPolarHBondContact O-CG2 3.32Å; P53-V56 HydrophobicContact CG-CG2 4.13Å; P53-V56 PolarHBondContact O-N 2.8Å; P53-V56 VanDerWaalsContact O-N 3.1Å; D54-V56 PolarHBondContact O-N 3.23Å; V56-G58 PolarHBondContact O-N 2.89Å; V56-R59 PolarHBondContact O-N 2.83Å; V56-F60 HydrophobicContact CB-CB 4.22Å; V56-F60 HydrophobicContact CB-CD2 3.63Å; V56-F60 HydrophobicContact CB-CE2 4.04Å; V56-F60 HydrophobicContact CB-CG 3.89Å; V56-F60 HydrophobicContact CG1-CD2 3.66Å; V56-F60 HydrophobicContact CG1-CE2 3.54Å; V56-F60 HydrophobicContact CG1-CG 4.33Å; V56-F60 HydrophobicContact CG1-CZ 4.13Å; V56-F60 HydrophobicContact CG2-CD2 4.25Å; V56-F60 PolarHBondContact O-N 2.81Å; V56-F60 VanDerWaalsContact O-N 3.08Å
57	K	95.7	Very high	96.4	Very high	134 Å²	134	64.3 Å²	64.3	58%	0.583	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	132.6	179.7	-166.6	173.3	-174.7	177.5	0	111	P53 R59	P53-K57 PolarHBondContact O-N 3.34Å; K57-R59 PolarHBondContact O-N 2.83Å
58	G	96.1	Very high	96.6	Very high	85 Å²	85	69.2 Å²	69.2	88%	0.876	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-8	-177.3	0	0	0	0	0	115.2	V56	V56-G58 PolarHBondContact O-N 2.89Å
59	R	97.2	Very high	96.8	Very high	33 Å²	33	66.6 Å²	66.6	13%	0.125	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-38.9	176.6	-62.1	-168.6	-57.1	114.8	0.3	112.3	S55 V56 K57 S76 S77 D82	S55-R59 PolarHBondContact O-NH2 3.3Å; V56-R59 PolarHBondContact O-N 2.83Å; K57-R59 PolarHBondContact O-N 2.83Å; R59-S76 WeakPolarHBondContact CB-O 3.02Å; R59-S76 WeakPolarHBondContact O-CB 3.42Å; R59-S76 PolarHBondContact O-N 2.79Å; R59-S77 PolarHBondContact NH1-O 3.04Å; R59-D82 IonicContact CZ-OD1 3.87Å; R59-D82 IonicContact CZ-OD2 3.38Å; R59-D82 IonicContact NH1-OD1 2.95Å; R59-D82 IonicContact NH1-OD2 2.67Å; R59-D82 PolarHBondContact NH1-OD2 3.17Å; R59-D82 IonicContact NH2-OD1 3.2Å; R59-D82 PolarHBondContact NH2-OD1 3.02Å; R59-D82 IonicContact NH2-OD2 2.67Å; R59-D82 PolarHBondContact NH2-OD2 2.87Å
60	F	97.8	Very high	96.9	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.018	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	147	-176.5	-63.8	4.8	0	0	0	110.9	V40 Y52 V56 L73 Q74 M75 L78 D82	V40-F60 HydrophobicContact CG1-CD2 3.67Å; V40-F60 HydrophobicContact CG1-CE2 4.07Å; Y52-F60 VanDerWaalsContact CE1-O 3.27Å; Y52-F60 WeakPolarHBondContact CE1-O 3.43Å; V56-F60 HydrophobicContact CB-CB 4.22Å; V56-F60 HydrophobicContact CB-CD2 3.63Å; V56-F60 HydrophobicContact CB-CE2 4.04Å; V56-F60 HydrophobicContact CB-CG 3.89Å; V56-F60 HydrophobicContact CG1-CD2 3.66Å; V56-F60 HydrophobicContact CG1-CE2 3.54Å; V56-F60 HydrophobicContact CG1-CG 4.33Å; V56-F60 HydrophobicContact CG1-CZ 4.13Å; V56-F60 HydrophobicContact CG2-CD2 4.25Å; V56-F60 PolarHBondContact O-N 2.81Å; V56-F60 VanDerWaalsContact O-N 3.08Å; F60-L73 HydrophobicContact CB-CD1 4.26Å; F60-L73 HydrophobicContact CD2-CD2 4.31Å; F60-Q74 CarbonylContact C-O 3.57Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.3Å; F60-M75 HydrophobicContact CD1-CB 3.81Å; F60-M75 HydrophobicContact CD1-CG 4.1Å; F60-M75 HydrophobicContact CD2-CG 4.05Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CE 4.42Å; F60-M75 HydrophobicContact CE1-CG 4.14Å; F60-M75 HydrophobicContact CE2-CE 3.77Å; F60-M75 HydrophobicContact CE2-CG 4.07Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.09Å; F60-M75 HydrophobicContact CZ-CB 4.13Å; F60-M75 HydrophobicContact CZ-CE 3.67Å; F60-M75 HydrophobicContact CZ-CG 4.13Å; F60-L78 HydrophobicContact CE1-CD2 4.01Å; F60-L78 HydrophobicContact CZ-CD2 3.98Å; F60-D82 HydrophobicContact CZ-CB 4.1Å
61	T	98.3	Very high	96.9	Very high	77 Å²	77	58 Å²	58	47%	0.472	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	117.4	179	-53.7	0	0	0	0	109.5	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.32Å; T61-Q74 PolarHBondContact N-O 2.79Å; T61-Q74 PolarHBondContact O-N 3.45Å
62	I	98.4	Very high	96.9	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	139.2	171.5	-167.3	169.6	0	0	0	109.5	A41 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.75Å; A41-I62 HydrophobicContact CB-CD1 3.92Å; A41-I62 HydrophobicContact CB-CG1 4.39Å; A41-I62 HydrophobicContact CB-CG2 3.96Å; I43-I62 HydrophobicContact CB-CD1 3.99Å; I43-I62 HydrophobicContact CB-CG1 4.23Å; I43-I62 HydrophobicContact CB-CG2 4Å; I43-I62 HydrophobicContact CG2-CD1 3.67Å; I43-I62 HydrophobicContact CG2-CG1 3.99Å; T50-I62 HydrophobicContact CG2-CG2 3.83Å; Y52-I62 HydrophobicContact CE1-CB 4.28Å; Y52-I62 HydrophobicContact CE1-CG2 3.94Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.49Å; Y52-I62 PolarHBondContact OH-N 2.99Å; I62-L71 HydrophobicContact CD1-CD1 3.99Å; I62-L71 HydrophobicContact CD1-CD2 4.36Å; I62-L71 HydrophobicContact CD1-CG 4.45Å; I62-L71 HydrophobicContact CG1-CD1 3.97Å; I62-L71 HydrophobicContact CG1-CG 4.45Å; I62-Y72 WeakPolarHBondContact CA-O 3.34Å; I62-L73 HydrophobicContact CB-CD1 4.27Å
63	S	98.1	Very high	97	Very high	50 Å²	50	52.3 Å²	52.3	35%	0.35	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.8	171.6	61.5	0	0	0	0	110.7	Y72	S63-Y72 PolarHBondContact N-O 2.92Å; S63-Y72 PolarHBondContact O-N 3.5Å
64	R	97.6	Very high	97	Very high	36 Å²	36	54.4 Å²	54.4	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.9	-177.3	66.3	-177.1	-68.4	150.5	3.6	110.8	F21 Y24 I43 S44 S45 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.28Å; F21-R64 HydrophobicContact CE1-CB 4.15Å; F21-R64 VanDerWaalsContact CE1-NH2 3.25Å; F21-R64 HydrophobicContact CZ-CB 4.18Å; F21-R64 PolarHBondContact O-NH2 2.92Å; Y24-R64 PolarHBondContact O-NH1 3.41Å; I43-R64 HydrophobicContact CD1-CB 4.31Å; I43-R64 HydrophobicContact CD1-CG 3.79Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; S44-R64 PolarHBondContact O-NH1 3.33Å; S45-R64 PolarHBondContact O-NE 3.16Å; S45-R64 PolarHBondContact O-NH1 3Å; S45-R64 PolarHBondContact O-NH2 2.83Å; R64-N66 PolarHBondContact NE-OD1 2.93Å; R64-N66 PolarHBondContact NH2-OD1 2.8Å; R64-T70 WeakPolarHBondContact CA-O 3.25Å; R64-L71 HydrophobicContact CB-CD1 4.17Å
65	D	96.9	Very high	97.1	Very high	40 Å²	40	47.9 Å²	47.9	21%	0.214	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	107.9	170	-175.6	-26	0	0	0	108.2	A67 K68 N69 T70 Y72	D65-A67 WeakPolarHBondContact OD1-CB 3.2Å; D65-A67 PolarHBondContact OD1-N 2.87Å; D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 3.35Å; D65-K68 PolarHBondContact OD1-N 2.02Å; D65-K68 WeakPolarHBondContact OD2-CD 3.49Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.46Å; D65-K68 WeakPolarHBondContact OD2-CG 3.45Å; D65-K68 IonicContact OD2-NZ 3.33Å; D65-K68 PolarHBondContact OD2-NZ 2.97Å; D65-N69 PolarHBondContact O-N 2.81Å; D65-T70 PolarHBondContact N-O 2.77Å; D65-T70 PolarHBondContact O-N 2.86Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å
66	N	95.7	Very high	97.2	Very high	62 Å²	62	46.7 Å²	46.7	33%	0.332	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-26.5	-178.2	-76	-15.7	0	0	0	112.9	F21 R64 K68 N69	F21-N66 WeakPolarHBondContact CE1-OD1 3.41Å; R64-N66 PolarHBondContact NE-OD1 2.93Å; R64-N66 PolarHBondContact NH2-OD1 2.8Å; N66-K68 VanDerWaalsContact C-N 3.33Å; N66-N69 PolarHBondContact O-OD1 3.25Å
67	A	95.4	Very high	97.1	Very high	95 Å²	95	50 Å²	50	79%	0.785	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-31.7	176.4	0	0	0	0	0	111	D65	D65-A67 WeakPolarHBondContact OD1-CB 3.2Å; D65-A67 PolarHBondContact OD1-N 2.87Å
68	K	96.8	Very high	97.1	Very high	133 Å²	133	44.6 Å²	44.6	58%	0.578	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	1.4	178.9	-61	-178.5	-167.4	153.6	0	114.3	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 PolarHBondContact O-N 3.35Å; D65-K68 PolarHBondContact OD1-N 2.02Å; D65-K68 WeakPolarHBondContact OD2-CD 3.49Å; D65-K68 VanDerWaalsContact OD2-CE 3.25Å; D65-K68 WeakPolarHBondContact OD2-CE 3.46Å; D65-K68 WeakPolarHBondContact OD2-CG 3.45Å; D65-K68 IonicContact OD2-NZ 3.33Å; D65-K68 PolarHBondContact OD2-NZ 2.97Å; N66-K68 VanDerWaalsContact C-N 3.33Å; K68-T70 PolarHBondContact O-N 2.86Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 3.35Å
69	N	96.9	Very high	97	Very high	62 Å²	62	45.8 Å²	45.8	33%	0.332	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	38	-172.6	-59.8	-40.4	0	0	0	113	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 3.27Å; F21-N69 HydrophobicContact CB-CB 3.89Å; F21-N69 WeakPolarHBondContact CB-OD1 3.27Å; F21-N69 HydrophobicContact CD1-CB 4.47Å; F21-N69 HydrophobicContact CG-CB 4.14Å; D65-N69 PolarHBondContact O-N 2.81Å; N66-N69 PolarHBondContact O-OD1 3.25Å
70	T	98	Very high	96.6	Very high	15 Å²	15	48.1 Å²	48.1	9%	0.092	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132.7	-171	-57.1	0	0	0	0	111.6	C14 R64 D65 K68 Y72	C14-T70 CarbonylContact O-C 3.5Å; C14-T70 WeakPolarHBondContact O-CA 3.15Å; R64-T70 WeakPolarHBondContact CA-O 3.25Å; D65-T70 PolarHBondContact N-O 2.77Å; D65-T70 PolarHBondContact O-N 2.86Å; K68-T70 PolarHBondContact O-N 2.86Å; K68-T70 VanDerWaalsContact O-N 3.11Å; K68-T70 PolarHBondContact O-OG1 3.35Å; T70-Y72 HydrophobicContact CG2-CD1 4.12Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.1Å
71	L	98.4	Very high	96.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.3	171	-169.3	71.2	0	0	0	109.9	S13 C14 F21 M26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.6Å; S13-L71 WeakPolarHBondContact CA-O 3.39Å; C14-L71 HydrophobicContact CB-CB 4.4Å; C14-L71 PolarHBondContact N-O 2.47Å; C14-L71 PolarHBondContact O-N 3.14Å; F21-L71 HydrophobicContact CE2-CB 4.35Å; F21-L71 HydrophobicContact CZ-CB 4.24Å; M26-L71 HydrophobicContact CB-CD1 3.79Å; M26-L71 HydrophobicContact CB-CD2 3.97Å; M26-L71 HydrophobicContact CB-CG 4.43Å; W28-L71 HydrophobicContact CD2-CD2 4.42Å; W28-L71 HydrophobicContact CG-CD2 4.29Å; W28-L71 VanDerWaalsContact NE1-CD2 3.32Å; I43-L71 HydrophobicContact CG2-CD1 3.57Å; I62-L71 HydrophobicContact CD1-CD1 3.99Å; I62-L71 HydrophobicContact CD1-CD2 4.36Å; I62-L71 HydrophobicContact CD1-CG 4.45Å; I62-L71 HydrophobicContact CG1-CD1 3.97Å; I62-L71 HydrophobicContact CG1-CG 4.45Å; R64-L71 HydrophobicContact CB-CD1 4.17Å; L71-C88 HydrophobicContact CD2-CB 4.1Å
72	Y	98.3	Very high	96.1	Very high	41 Å²	41	50.9 Å²	50.9	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149	177.6	-56.6	-77.2	0	0	0	111.2	L12 W28 I62 S63 D65 T70	L12-Y72 VanDerWaalsContact O-CA 3.28Å; L12-Y72 WeakPolarHBondContact O-CA 3.34Å; W28-Y72 PolarHBondContact NE1-O 2.8Å; I62-Y72 WeakPolarHBondContact CA-O 3.34Å; S63-Y72 PolarHBondContact N-O 2.92Å; S63-Y72 PolarHBondContact O-N 3.5Å; D65-Y72 HydrophobicContact CB-CE2 3.97Å; T70-Y72 HydrophobicContact CG2-CD1 4.12Å; T70-Y72 HydrophobicContact CG2-CD2 4.43Å; T70-Y72 HydrophobicContact CG2-CE1 3.47Å; T70-Y72 VanDerWaalsContact CG2-CE1 3.47Å; T70-Y72 HydrophobicContact CG2-CE2 3.84Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.1Å
73	L	98.4	Very high	95.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	109.1	167.2	-170.8	67.5	0	0	0	108.6	K11 L12 W28 V40 A41 F60 I62 M75 Y86	K11-L73 CarbonylContact C-O 3.46Å; K11-L73 WeakPolarHBondContact CA-O 3.32Å; L12-L73 HydrophobicContact CB-CB 4.24Å; L12-L73 HydrophobicContact CD1-CD2 4.37Å; L12-L73 PolarHBondContact N-O 2.8Å; L12-L73 PolarHBondContact O-N 3.17Å; W28-L73 HydrophobicContact CB-CD2 4.2Å; W28-L73 HydrophobicContact CD2-CB 4.13Å; W28-L73 HydrophobicContact CD2-CD2 4.31Å; W28-L73 HydrophobicContact CG-CB 4.12Å; W28-L73 HydrophobicContact CG-CD1 4.42Å; W28-L73 HydrophobicContact CG-CD2 4.01Å; W28-L73 HydrophobicContact CG-CG 4.42Å; W28-L73 HydrophobicContact CZ2-CB 4.34Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; A41-L73 HydrophobicContact CB-CD1 4.18Å; F60-L73 HydrophobicContact CB-CD1 4.26Å; F60-L73 HydrophobicContact CD2-CD2 4.31Å; I62-L73 HydrophobicContact CB-CD1 4.27Å; L73-M75 HydrophobicContact CD2-CG 3.77Å; L73-M75 HydrophobicContact CD2-SD 3.9Å; L73-M75 HydrophobicContact CG-CG 3.79Å; L73-M75 HydrophobicContact CG-SD 4.43Å; L73-Y86 HydrophobicContact CD2-CD1 4.24Å; L73-Y86 HydrophobicContact CD2-CE1 4.36Å
74	Q	98	Very high	95.7	Very high	65 Å²	65	54.3 Å²	54.3	30%	0.304	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.6	167.2	-176.4	62.3	46.8	0	0	107.9	L10 F60 T61	L10-Q74 PolarHBondContact O-NE2 2.84Å; F60-Q74 CarbonylContact C-O 3.57Å; F60-Q74 VanDerWaalsContact CA-O 3.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.3Å; T61-Q74 PolarHBondContact N-O 2.79Å; T61-Q74 PolarHBondContact O-N 3.45Å
75	M	96.9	Very high	95.7	Very high	4 Å²	4	58 Å²	58	2%	0.02	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	117	178.5	-57.4	164	68.8	0	0	107.5	S9 L10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.4Å; S9-M75 WeakPolarHBondContact CB-O 3.33Å; L10-M75 PolarHBondContact N-O 3.26Å; L10-M75 PolarHBondContact O-N 3.33Å; L12-M75 HydrophobicContact CD1-SD 3.7Å; L12-M75 HydrophobicContact CG-SD 3.87Å; F60-M75 HydrophobicContact CD1-CB 3.81Å; F60-M75 HydrophobicContact CD1-CG 4.1Å; F60-M75 HydrophobicContact CD2-CG 4.05Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CE 4.42Å; F60-M75 HydrophobicContact CE1-CG 4.14Å; F60-M75 HydrophobicContact CE2-CE 3.77Å; F60-M75 HydrophobicContact CE2-CG 4.07Å; F60-M75 HydrophobicContact CG-CB 4.3Å; F60-M75 HydrophobicContact CG-CG 4.09Å; F60-M75 HydrophobicContact CZ-CB 4.13Å; F60-M75 HydrophobicContact CZ-CE 3.67Å; F60-M75 HydrophobicContact CZ-CG 4.13Å; L73-M75 HydrophobicContact CD2-CG 3.77Å; L73-M75 HydrophobicContact CD2-SD 3.9Å; L73-M75 HydrophobicContact CG-CG 3.79Å; L73-M75 HydrophobicContact CG-SD 4.43Å; M75-L78 HydrophobicContact CB-CD2 3.84Å; M75-L78 HydrophobicContact CB-CG 4.37Å; M75-L78 HydrophobicContact CE-CD2 3.52Å; M75-Y86 HydrophobicContact CE-CE1 3.85Å; M75-Y86 HydrophobicContact CE-CE2 3.96Å; M75-Y86 WeakPolarHBondContact CE-OH 3.38Å; M75-Y86 HydrophobicContact SD-CE1 4.48Å
76	S	95.7	Very high	95.7	Very high	39 Å²	39	58 Å²	58	27%	0.273	32%	0.321	S	S	.	.			trans	-115.8	156.5	177.8	-57.1	0	0	0	0	110.2	R59 L78	R59-S76 WeakPolarHBondContact CB-O 3.02Å; R59-S76 WeakPolarHBondContact O-CB 3.42Å; R59-S76 PolarHBondContact O-N 2.79Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.44Å
77	S	94.4	Very high	95.7	Very high	70 Å²	70	60 Å²	60	49%	0.49	32%	0.324	S	S	.	.	S	Bend	trans	51	51.8	178.8	-53.8	0	0	0	0	111.7	G8 R59	G8-S77 PolarHBondContact O-N 3.01Å; R59-S77 PolarHBondContact NH1-O 3.04Å
78	L	94.8	Very high	95.8	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	30%	0.302	C	S	.	.			trans	-59.9	137.7	-178.8	-76.3	169.1	0	0	0	111.2	V4 G7 G8 L10 F60 M75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.01Å; V4-L78 HydrophobicContact CG1-CD1 3.9Å; G7-L78 PolarHBondContact N-O 2.78Å; G8-L78 WeakPolarHBondContact O-CG 3.33Å; G8-L78 PolarHBondContact O-N 2.89Å; G8-L78 VanDerWaalsContact O-N 3.09Å; L10-L78 HydrophobicContact CB-CD1 3.96Å; F60-L78 HydrophobicContact CE1-CD2 4.01Å; F60-L78 HydrophobicContact CZ-CD2 3.98Å; M75-L78 HydrophobicContact CB-CD2 3.84Å; M75-L78 HydrophobicContact CB-CG 4.37Å; M75-L78 HydrophobicContact CE-CD2 3.52Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.44Å; L78-D82 HydrophobicContact CD2-CB 4.07Å
79	K	93.8	Very high	95.7	Very high	110 Å²	110	53 Å²	53	48%	0.478	29%	0.288	S	S	.	.			trans	-114.2	164	174.9	-50.8	178.8	179.3	-179.3	0	110	E81 D82	K79-E81 WeakPolarHBondContact CB-OE2 3.29Å; K79-E81 PolarHBondContact O-N 3.33Å; K79-D82 PolarHBondContact N-OD2 2.96Å; K79-D82 WeakPolarHBondContact O-CB 3.33Å; K79-D82 PolarHBondContact O-N 2.98Å
80	S	90.6	Very high	95.6	Very high	82 Å²	82	55.2 Å²	55.2	57%	0.573	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-60.2	-32.3	178.7	-65.1	0	0	0	0	112.2	D82 T83	S80-D82 PolarHBondContact O-N 3.34Å; S80-T83 VanDerWaalsContact O-CB 3.32Å; S80-T83 WeakPolarHBondContact O-CB 3.48Å; S80-T83 PolarHBondContact O-N 3.35Å; S80-T83 PolarHBondContact O-OG1 2.85Å
81	E	91.6	Very high	94.9	Very high	131 Å²	131	59.4 Å²	59.4	61%	0.612	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.9	-13.3	177.5	-50.9	80.2	-168.5	0	0	113.3	K79 T83	K79-E81 WeakPolarHBondContact CB-OE2 3.29Å; K79-E81 PolarHBondContact O-N 3.33Å; E81-T83 PolarHBondContact O-N 2.84Å
82	D	93.4	Very high	93.4	Very high	8 Å²	8	64 Å²	64	4%	0.043	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-82.7	-2.9	175.8	-58.9	-49	0	0	0	113	R30 R59 F60 L78 K79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.15Å; R30-D82 PolarHBondContact NH1-OD1 3.1Å; R30-D82 VanDerWaalsContact NH1-OD1 3.1Å; R59-D82 IonicContact CZ-OD1 3.87Å; R59-D82 IonicContact CZ-OD2 3.38Å; R59-D82 IonicContact NH1-OD1 2.95Å; R59-D82 IonicContact NH1-OD2 2.67Å; R59-D82 PolarHBondContact NH1-OD2 3.17Å; R59-D82 IonicContact NH2-OD1 3.2Å; R59-D82 PolarHBondContact NH2-OD1 3.02Å; R59-D82 IonicContact NH2-OD2 2.67Å; R59-D82 PolarHBondContact NH2-OD2 2.87Å; F60-D82 HydrophobicContact CZ-CB 4.1Å; L78-D82 HydrophobicContact CD2-CB 4.07Å; K79-D82 PolarHBondContact N-OD2 2.96Å; K79-D82 WeakPolarHBondContact O-CB 3.33Å; K79-D82 PolarHBondContact O-N 2.98Å; S80-D82 PolarHBondContact O-N 3.34Å; D82-A84 PolarHBondContact O-N 3.03Å; D82-A84 VanDerWaalsContact O-N 3.12Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.37Å; D82-Y86 PolarHBondContact O-OH 3.03Å
83	T	93.3	Very high	91.4	Very high	100 Å²	100	65.8 Å²	65.8	61%	0.613	36%	0.358	S	S	*	.			trans	-68.8	106.7	177.6	-53.5	0	0	0	0	110.4	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.32Å; S80-T83 WeakPolarHBondContact O-CB 3.48Å; S80-T83 PolarHBondContact O-N 3.35Å; S80-T83 PolarHBondContact O-OG1 2.85Å; E81-T83 PolarHBondContact O-N 2.84Å
84	A	95.3	Very high	89.2	Confident	28 Å²	28	74.9 Å²	74.9	23%	0.231	42%	0.422	C	S	.	.	S	Bend	trans	-160.4	169	-177.2	0	0	0	0	0	110	R30 Q31 T32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.81Å; R30-A84 HydrophobicContact CG-CB 4.12Å; Q31-A84 WeakPolarHBondContact O-CB 3.19Å; T32-A84 HydrophobicContact CG2-CB 4.47Å; D82-A84 PolarHBondContact O-N 3.03Å; D82-A84 VanDerWaalsContact O-N 3.12Å; A84-Y86 HydrophobicContact CB-CD2 4.45Å; A84-Y86 HydrophobicContact CB-CE2 3.91Å; A84-Y86 VanDerWaalsContact O-CD2 3.28Å; A84-Y86 WeakPolarHBondContact O-CD2 3.28Å; A84-Y86 WeakPolarHBondContact O-CE2 3.25Å
85	M	96.3	Very high	88.8	Confident	114 Å²	114	75.4 Å²	75.4	56%	0.562	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	131.2	164.9	-168.9	60.6	67.3	0	0	109.3	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.58Å; R30-M85 WeakPolarHBondContact CA-O 3.34Å; Q31-M85 PolarHBondContact N-O 2.86Å; Q31-M85 PolarHBondContact O-N 3.01Å; M85-Y87 HydrophobicContact CB-CE2 3.84Å; M85-Y87 HydrophobicContact CG-CD2 4.45Å; M85-Y87 HydrophobicContact CG-CE1 3.97Å; M85-Y87 HydrophobicContact CG-CE2 3.61Å; M85-Y87 VanDerWaalsContact CG-OH 3.23Å; M85-Y87 WeakPolarHBondContact CG-OH 3.46Å
86	Y	97.1	Very high	88.4	Confident	38 Å²	38	79.1 Å²	79.1	15%	0.149	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.8	-177.6	-73.3	-103	0	0	0	110.8	L12 R30 V40 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.01Å; L12-Y86 HydrophobicContact CD1-CD2 4.29Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; R30-Y86 HydrophobicContact CB-CD1 3.87Å; R30-Y86 HydrophobicContact CB-CD2 4.43Å; R30-Y86 HydrophobicContact CB-CE1 3.77Å; R30-Y86 HydrophobicContact CB-CE2 4.33Å; R30-Y86 HydrophobicContact CB-CG 4.19Å; R30-Y86 WeakPolarHBondContact CD-OH 3.44Å; R30-Y86 HydrophobicContact CG-CE1 4.44Å; R30-Y86 PolarHBondContact NH1-OH 2.95Å; V40-Y86 HydrophobicContact CG1-CE1 4.23Å; V40-Y86 HydrophobicContact CG2-CD1 4.27Å; V40-Y86 HydrophobicContact CG2-CE1 3.89Å; L73-Y86 HydrophobicContact CD2-CD1 4.24Å; L73-Y86 HydrophobicContact CD2-CE1 4.36Å; M75-Y86 HydrophobicContact CE-CE1 3.85Å; M75-Y86 HydrophobicContact CE-CE2 3.96Å; M75-Y86 WeakPolarHBondContact CE-OH 3.38Å; M75-Y86 HydrophobicContact SD-CE1 4.48Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.37Å; D82-Y86 PolarHBondContact O-OH 3.03Å; A84-Y86 HydrophobicContact CB-CD2 4.45Å; A84-Y86 HydrophobicContact CB-CE2 3.91Å; A84-Y86 VanDerWaalsContact O-CD2 3.28Å; A84-Y86 WeakPolarHBondContact O-CD2 3.28Å; A84-Y86 WeakPolarHBondContact O-CE2 3.25Å
87	Y	96.9	Very high	88	Confident	105 Å²	105	81.3 Å²	81.3	41%	0.412	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.3	-178.7	-56.6	-83.1	0	0	0	109.7	W28 V29 Q31 M85	W28-Y87 WeakPolarHBondContact CA-O 3.44Å; V29-Y87 PolarHBondContact N-O 2.9Å; V29-Y87 PolarHBondContact O-N 3.46Å; V29-Y87 VanDerWaalsContact O-O 3.14Å; Q31-Y87 HydrophobicContact CB-CD2 4.49Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; M85-Y87 HydrophobicContact CB-CE2 3.84Å; M85-Y87 HydrophobicContact CG-CD2 4.45Å; M85-Y87 HydrophobicContact CG-CE1 3.97Å; M85-Y87 HydrophobicContact CG-CE2 3.61Å; M85-Y87 VanDerWaalsContact CG-OH 3.23Å; M85-Y87 WeakPolarHBondContact CG-OH 3.46Å
88	C	96.1	Very high	87.6	Confident	48 Å²	48	82 Å²	82	32%	0.324	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	137.7	164.6	52	0	0	0	0	109.5	C14 S27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.37Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.67Å; S27-C88 CarbonylContact O-C 3.49Å; S27-C88 WeakPolarHBondContact O-CA 3.45Å; W28-C88 HydrophobicContact CE3-CB 4.45Å; W28-C88 HydrophobicContact CH2-CB 4.43Å; W28-C88 HydrophobicContact CZ3-CB 4.37Å; L71-C88 HydrophobicContact CD2-CB 4.1Å
89	A	95.7	Very high	87.1	Confident	34 Å²	34	85.9 Å²	85.9	28%	0.281	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.4	179	0	0	0	0	0	109.9	S27 V29	S27-A89 PolarHBondContact N-O 3.11Å; S27-A89 PolarHBondContact O-N 3.45Å; V29-A89 HydrophobicContact CG2-CB 4.18Å
90	R	94.2	Very high	86.7	Confident	107 Å²	107	84.3 Å²	84.3	40%	0.404	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.7	170.4	-174.4	-177.8	75.1	179.4	-2.1	108.6	F19 Y24 M26	F19-R90 VanDerWaalsContact CD2-CD 3.49Å; F19-R90 HydrophobicContact CE2-CG 4.01Å; F19-R90 HydrophobicContact CZ-CB 4.34Å; F19-R90 HydrophobicContact CZ-CG 4.31Å; Y24-R90 VanDerWaalsContact CB-CG 3.5Å; Y24-R90 HydrophobicContact CD1-CG 3.65Å; Y24-R90 HydrophobicContact CD2-CG 4.37Å; Y24-R90 HydrophobicContact CE1-CG 4.44Å; Y24-R90 VanDerWaalsContact CG-CD 3.42Å; Y24-R90 HydrophobicContact CG-CG 3.6Å; M26-R90 HydrophobicContact CE-CB 4.19Å; M26-R90 HydrophobicContact SD-CB 3.83Å; M26-R90 HydrophobicContact SD-CG 3.84Å
91	H	84.6	Confident	86.4	Confident	104 Å²	104	84.4 Å²	84.4	48%	0.481	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-67.2	134.3	171.6	-161.5	-82.3	0	0	0	109.2	Y24 G25 S93	Y24-H91 WeakPolarHBondContact CD1-O 3.25Å; G25-H91 PolarHBondContact O-N 2.96Å; H91-S93 PolarHBondContact O-N 3.05Å
92	P	65.6	Low	86	Confident	95 Å²	95	80.8 Å²	80.8	62%	0.617	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-58	125.8	169.8	-17.9	29.5	0	0	0	108.9	S94	P92-S94 PolarHBondContact O-N 3.33Å
93	S	57.3	Low	85.4	Confident	79 Å²	79	86.9 Å²	86.9	55%	0.552	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-71	121.1	158.6	51.7	0	0	0	0	106.2	Y24 H91	Y24-S93 WeakPolarHBondContact CE1-OG 3.14Å; H91-S93 PolarHBondContact O-N 3.05Å
94	S	52	Low	84.6	Confident	191 Å²	191	85.7 Å²	85.7	100%	1.336	49%	0.486	S	S	*	.			trans	-53.8	0	167.4	-44.4	0	0	0	0	111.2	P92	P92-S94 PolarHBondContact O-N 3.33Å

Retrieved 94 of 94 residues in 19.1 ms (Link to these results)

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