X5J566_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J566, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 80 aa.

						>X5J566_MOUSE|X5J566
GGLVKPGRSLKLSCAASGFTFSDYGMHWVRQAPEKGLEWVAYISSGSSTIYYPDTVKGRFTISRDNAKNTLFLQMPSLRS
					

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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	60.2	Low	84.4	Confident	108 Å²	108	102.5 Å²	102.5	100%	1.113	62%	0.616	S	S	*	*				0	148.9	0	0	0	0	0	0	108.7
2	G	75.1	Confident	85.3	Confident	56 Å²	56	97.3 Å²	97.3	58%	0.577	58%	0.581	S	S	*	*			trans	-89.2	165.6	178.4	0	0	0	0	0	113	V4	G2-V4 PolarHBondContact O-N 3.05Å
3	L	81	Confident	86.3	Confident	187 Å²	187	96.4 Å²	96.4	98%	0.979	58%	0.583	S	S	*	*			trans	-67.2	127.7	171.6	-173.7	68.7	0	0	0	109.5
4	V	84	Confident	87	Confident	55 Å²	55	93.3 Å²	93.3	33%	0.333	57%	0.567	S	S	.	*			trans	-123	136.6	-179.7	-78	0	0	0	0	110.1	G2 L10 L78	G2-V4 PolarHBondContact O-N 3.05Å; V4-L10 HydrophobicContact CG1-CD1 4.13Å; V4-L10 HydrophobicContact CG2-CB 4.36Å; V4-L10 HydrophobicContact CG2-CD2 4.07Å; V4-L78 HydrophobicContact CG2-CD1 3.52Å
5	K	85.8	Confident	87.7	Confident	170 Å²	170	92.4 Å²	92.4	74%	0.739	57%	0.573	S	S	*	*			trans	-66	147.5	174.5	-64.9	-176.7	179.9	-177.3	0	110	R8	K5-R8 HydrophobicContact CB-CG 4.46Å; K5-R8 WeakPolarHBondContact O-CB 3.22Å; K5-R8 PolarHBondContact O-N 3.11Å
6	P	87.6	Confident	88.2	Confident	86 Å²	86	87.8 Å²	87.8	56%	0.558	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	147.2	170.4	-26	34.6	0	0	0	112.1	R8 L78	P6-R8 PolarHBondContact O-N 3.33Å; P6-L78 CarbonylContact C-O 3.52Å
7	G	87.1	Confident	88.7	Confident	52 Å²	52	88.9 Å²	88.9	54%	0.536	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	81.6	-10.8	-175.6	0	0	0	0	0	114.7	L78	G7-L78 PolarHBondContact N-O 3.44Å
8	R	89.3	Confident	89.2	Confident	174 Å²	174	88.9 Å²	88.9	66%	0.657	58%	0.578	S	S	*	*			trans	-86.2	152.4	173.7	-62.4	-67.3	177.8	145.1	-4.4	111.4	K5 P6 L78	K5-R8 HydrophobicContact CB-CG 4.46Å; K5-R8 WeakPolarHBondContact O-CB 3.22Å; K5-R8 PolarHBondContact O-N 3.11Å; P6-R8 PolarHBondContact O-N 3.33Å; R8-L78 PolarHBondContact O-N 3.03Å
9	S	91	Very high	89.5	Confident	76 Å²	76	88.7 Å²	88.7	53%	0.531	57%	0.568	S	S	.	*			trans	-90.6	141.6	174.6	-56.9	0	0	0	0	110	M75 P76 S77	S9-M75 VanDerWaalsContact CA-O 3.31Å; S9-M75 WeakPolarHBondContact CA-O 3.37Å; S9-P76 WeakPolarHBondContact OG-CA 3.35Å; S9-S77 PolarHBondContact OG-N 3.5Å
10	L	92.7	Very high	89.8	Confident	38 Å²	38	88.3 Å²	88.3	20%	0.199	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	142.5	174.7	-178.5	63.5	0	0	0	109.7	V4 L12 M75 L78	V4-L10 HydrophobicContact CG1-CD1 4.13Å; V4-L10 HydrophobicContact CG2-CB 4.36Å; V4-L10 HydrophobicContact CG2-CD2 4.07Å; L10-L12 HydrophobicContact CD2-CD2 3.97Å; L10-L12 HydrophobicContact CD2-CG 4.5Å; L10-L12 HydrophobicContact CG-CD2 4.2Å; L10-M75 HydrophobicContact CB-CE 4.07Å; L10-M75 HydrophobicContact CD2-CE 3.78Å; L10-M75 HydrophobicContact CG-CE 3.94Å; L10-M75 PolarHBondContact N-O 3.48Å; L10-M75 PolarHBondContact O-N 3.04Å; L10-L78 HydrophobicContact CB-CD1 3.75Å; L10-L78 HydrophobicContact CD2-CD1 4.39Å
11	K	94.6	Very high	90.1	Very high	126 Å²	126	84.2 Å²	84.2	55%	0.548	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.2	170	-173.9	176.7	178.3	179.7	0	108.8	F72 L73	K11-F72 VanDerWaalsContact CE-CD1 3.48Å; K11-L73 CarbonylContact C-O 3.47Å; K11-L73 WeakPolarHBondContact CA-O 3.45Å
12	L	95.8	Very high	91.9	Very high	39 Å²	39	81.2 Å²	81.2	20%	0.204	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	150.3	171.8	-59.8	177.9	0	0	0	109.9	L10 W28 F72 L73 M75	L10-L12 HydrophobicContact CD2-CD2 3.97Å; L10-L12 HydrophobicContact CD2-CG 4.5Å; L10-L12 HydrophobicContact CG-CD2 4.2Å; L12-W28 HydrophobicContact CB-CH2 3.77Å; L12-W28 HydrophobicContact CB-CZ2 3.99Å; L12-W28 HydrophobicContact CB-CZ3 4.31Å; L12-W28 HydrophobicContact CD1-CE3 4.36Å; L12-W28 HydrophobicContact CD1-CH2 4.33Å; L12-W28 HydrophobicContact CD1-CZ3 4.02Å; L12-F72 VanDerWaalsContact O-CA 3.26Å; L12-F72 WeakPolarHBondContact O-CA 3.41Å; L12-L73 HydrophobicContact CB-CB 4.36Å; L12-L73 PolarHBondContact N-O 2.99Å; L12-L73 PolarHBondContact O-N 3.08Å; L12-M75 HydrophobicContact CD1-CE 3.55Å; L12-M75 HydrophobicContact CD2-CE 4.39Å; L12-M75 HydrophobicContact CG-CE 3.54Å
13	S	97.2	Very high	92.9	Very high	86 Å²	86	83.4 Å²	83.4	60%	0.601	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.4	171.4	58.1	0	0	0	0	110.3	L71	S13-L71 CarbonylContact C-O 3.6Å; S13-L71 VanDerWaalsContact CA-O 3.26Å; S13-L71 WeakPolarHBondContact CA-O 3.36Å
14	C	96.3	Very high	93.6	Very high	53 Å²	53	80.9 Å²	80.9	36%	0.358	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	111	173.8	174.1	0	0	0	0	107.8	W28 T70 L71	C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.81Å; C14-T70 CarbonylContact O-C 3.54Å; C14-T70 WeakPolarHBondContact O-CA 3.24Å; C14-L71 HydrophobicContact CB-CB 4.3Å; C14-L71 PolarHBondContact N-O 3.44Å; C14-L71 PolarHBondContact O-N 2.86Å
15	A	97.4	Very high	94.2	Very high	80 Å²	80	79.6 Å²	79.6	66%	0.661	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.7	173.9	0	0	0	0	0	108.9
16	A	96.2	Very high	94.8	Very high	19 Å²	19	72.9 Å²	72.9	16%	0.157	45%	0.446	C	S	.	.			trans	-101.4	146.9	-179.3	0	0	0	0	0	111.4	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.79Å; A16-F19 HydrophobicContact CB-CZ 3.62Å; A16-F21 HydrophobicContact CB-CD2 3.59Å; A16-F21 HydrophobicContact CB-CE2 4.21Å; A16-F21 HydrophobicContact CB-CG 4.46Å; A16-N69 PolarHBondContact N-O 2.78Å
17	S	96.9	Very high	95.3	Very high	107 Å²	107	73 Å²	73	75%	0.748	44%	0.439	S	S	*	.			trans	-144.2	159.3	173.9	60.1	0	0	0	0	110	F19	S17-F19 WeakPolarHBondContact O-CD1 3.49Å
18	G	96.8	Very high	95.8	Very high	88 Å²	88	72.8 Å²	72.8	91%	0.907	42%	0.422	S	S	*	.	S	Bend	trans	86.2	0.4	177.2	0	0	0	0	0	115.8
19	F	95	Very high	96.1	Very high	86 Å²	86	67.4 Å²	67.4	38%	0.377	41%	0.408	S	S	.	.	S	Bend	trans	-153.4	163.3	173.7	64.7	-82.2	0	0	0	111.3	A16 S17 F21 Y24 M26	A16-F19 HydrophobicContact CB-CE1 3.79Å; A16-F19 HydrophobicContact CB-CZ 3.62Å; S17-F19 WeakPolarHBondContact O-CD1 3.49Å; F19-F21 HydrophobicContact CE2-CB 4.37Å; F19-F21 HydrophobicContact CE2-CD2 4.33Å; F19-F21 HydrophobicContact CZ-CD2 4.4Å; F19-F21 PolarHBondContact O-N 2.8Å; F19-Y24 AromaticContact CD2-CD2 3.66Å; F19-Y24 HydrophobicContact CD2-CD2 3.66Å; F19-Y24 HydrophobicContact CD2-CE2 4Å; F19-Y24 HydrophobicContact CE2-CD2 4.1Å; F19-M26 HydrophobicContact CE2-SD 4.47Å; F19-M26 HydrophobicContact CZ-CE 4.43Å
20	T	96.4	Very high	96.3	Very high	80 Å²	80	69 Å²	69	49%	0.491	40%	0.402	S	S	.	.			trans	-73.7	93.7	174.5	-50.8	0	0	0	0	109.9	S22 D23 Y24	T20-S22 WeakPolarHBondContact CG2-OG 3.48Å; T20-S22 PolarHBondContact O-N 2.86Å; T20-S22 VanDerWaalsContact O-N 3.13Å; T20-D23 WeakPolarHBondContact CB-OD2 3.39Å; T20-D23 HydrophobicContact CG2-CB 4.46Å; T20-D23 VanDerWaalsContact CG2-CG 3.45Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.39Å; T20-D23 VanDerWaalsContact CG2-OD2 3.23Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.21Å; T20-D23 PolarHBondContact O-N 3.04Å; T20-Y24 WeakPolarHBondContact O-CD2 3.09Å
21	F	96.7	Very high	96.3	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.009	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-54.2	-34.8	-175.1	177.4	-97.8	0	0	0	113.9	A16 F19 D23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CD2 3.59Å; A16-F21 HydrophobicContact CB-CE2 4.21Å; A16-F21 HydrophobicContact CB-CG 4.46Å; F19-F21 HydrophobicContact CE2-CB 4.37Å; F19-F21 HydrophobicContact CE2-CD2 4.33Å; F19-F21 HydrophobicContact CZ-CD2 4.4Å; F19-F21 PolarHBondContact O-N 2.8Å; F21-D23 PolarHBondContact O-N 3.23Å; F21-Y24 PolarHBondContact O-N 2.95Å; F21-M26 HydrophobicContact CD2-CE 4.42Å; F21-M26 HydrophobicContact CD2-CG 4.34Å; F21-M26 HydrophobicContact CD2-SD 4.26Å; F21-M26 HydrophobicContact CE2-CE 3.99Å; F21-M26 HydrophobicContact CE2-CG 3.69Å; F21-M26 HydrophobicContact CE2-SD 4.04Å; F21-M26 HydrophobicContact CZ-CG 4.01Å; F21-R64 VanDerWaalsContact CD1-NH2 3.3Å; F21-R64 HydrophobicContact CE1-CB 4.19Å; F21-R64 VanDerWaalsContact CE1-NH2 3.27Å; F21-R64 HydrophobicContact CZ-CB 4.25Å; F21-R64 PolarHBondContact O-NH2 2.95Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.35Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.44Å; F21-N69 HydrophobicContact CB-CB 3.87Å; F21-N69 WeakPolarHBondContact CB-OD1 3.23Å; F21-N69 HydrophobicContact CD1-CB 4.47Å; F21-N69 HydrophobicContact CG-CB 4.11Å; F21-L71 HydrophobicContact CE2-CB 4.42Å; F21-L71 HydrophobicContact CZ-CB 4.2Å
22	S	96.3	Very high	96.2	Very high	45 Å²	45	69.3 Å²	69.3	32%	0.315	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-64.2	-21.7	179.7	53.2	0	0	0	0	114.1	T20 Y24 S45	T20-S22 WeakPolarHBondContact CG2-OG 3.48Å; T20-S22 PolarHBondContact O-N 2.86Å; T20-S22 VanDerWaalsContact O-N 3.13Å; S22-Y24 VanDerWaalsContact C-N 3.34Å; S22-S45 WeakPolarHBondContact O-CB 3.31Å
23	D	96.7	Very high	96	Very high	103 Å²	103	73.1 Å²	73.1	55%	0.551	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-84	-17	-172.4	-61	-7.5	0	0	0	111.9	T20 F21	T20-D23 WeakPolarHBondContact CB-OD2 3.39Å; T20-D23 HydrophobicContact CG2-CB 4.46Å; T20-D23 VanDerWaalsContact CG2-CG 3.45Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.39Å; T20-D23 VanDerWaalsContact CG2-OD2 3.23Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.21Å; T20-D23 PolarHBondContact O-N 3.04Å; F21-D23 PolarHBondContact O-N 3.23Å
24	Y	96.6	Very high	95.9	Very high	133 Å²	133	79 Å²	79	52%	0.522	46%	0.457	S	S	.	.	S	Bend	trans	-112.9	145.7	-172.7	-60.7	-86	0	0	0	112.8	F19 T20 F21 S22 R64	F19-Y24 AromaticContact CD2-CD2 3.66Å; F19-Y24 HydrophobicContact CD2-CD2 3.66Å; F19-Y24 HydrophobicContact CD2-CE2 4Å; F19-Y24 HydrophobicContact CE2-CD2 4.1Å; T20-Y24 WeakPolarHBondContact O-CD2 3.09Å; F21-Y24 PolarHBondContact O-N 2.95Å; S22-Y24 VanDerWaalsContact C-N 3.34Å; Y24-R64 PolarHBondContact O-NH1 2.97Å
25	G	96.9	Very high	95.6	Very high	28 Å²	28	82.2 Å²	82.2	29%	0.289	46%	0.464	S	S	.	.			trans	-72.5	144.7	162	0	0	0	0	0	110.3	I43	G25-I43 CarbonylContact C-O 3.6Å; G25-I43 WeakPolarHBondContact CA-O 3.35Å
26	M	97.8	Very high	95.5	Very high	30 Å²	30	80.8 Å²	80.8	15%	0.148	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.9	-174.9	-60.1	-58.2	-64.2	0	0	110.8	F19 F21 Y42 I43 L71	F19-M26 HydrophobicContact CE2-SD 4.47Å; F19-M26 HydrophobicContact CZ-CE 4.43Å; F21-M26 HydrophobicContact CD2-CE 4.42Å; F21-M26 HydrophobicContact CD2-CG 4.34Å; F21-M26 HydrophobicContact CD2-SD 4.26Å; F21-M26 HydrophobicContact CE2-CE 3.99Å; F21-M26 HydrophobicContact CE2-CG 3.69Å; F21-M26 HydrophobicContact CE2-SD 4.04Å; F21-M26 HydrophobicContact CZ-CG 4.01Å; M26-Y42 WeakPolarHBondContact O-CA 3.49Å; M26-Y42 WeakPolarHBondContact O-CD2 3.33Å; M26-I43 HydrophobicContact CB-CG2 4.19Å; M26-I43 PolarHBondContact N-O 2.83Å; M26-I43 PolarHBondContact O-N 3.01Å; M26-L71 HydrophobicContact CB-CD1 3.84Å; M26-L71 HydrophobicContact CB-CD2 3.84Å; M26-L71 HydrophobicContact CB-CG 4.39Å
27	H	97.3	Very high	95.4	Very high	88 Å²	88	85.8 Å²	85.8	41%	0.407	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157	-179.4	60.8	-89.6	0	0	0	113.6	W39 A41 Y42	H27-W39 HydrophobicContact CB-CE3 3.81Å; H27-W39 HydrophobicContact CB-CH2 3.81Å; H27-W39 HydrophobicContact CB-CZ3 3.13Å; H27-W39 AromaticContact CD2-CH2 3.48Å; H27-W39 VanDerWaalsContact CD2-CH2 3.48Å; H27-W39 WeakPolarHBondContact CD2-CH2 3.44Å; H27-W39 AromaticContact CD2-CZ3 3.56Å; H27-W39 AromaticContact CE1-CH2 3.72Å; H27-W39 AromaticContact CG-CH2 3.33Å; H27-W39 AromaticContact CG-CZ3 3.22Å; H27-W39 AromaticContact ND1-CH2 3.49Å; H27-W39 WeakPolarHBondContact ND1-CH2 3.49Å; H27-W39 AromaticContact ND1-CZ3 3.81Å; H27-W39 AromaticContact NE2-CH2 3.74Å; H27-A41 CarbonylContact C-O 3.54Å; H27-A41 WeakPolarHBondContact CA-O 3.47Å; H27-A41 VanDerWaalsContact CB-O 3.27Å; H27-A41 WeakPolarHBondContact CB-O 3.48Å; H27-Y42 HydrophobicContact CB-CD2 4.3Å
28	W	97.8	Very high	95.3	Very high	48 Å²	48	83.5 Å²	83.5	18%	0.182	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.4	168.6	-74.4	94.1	0	0	0	109.6	L12 C14 V40 A41 L71 L73	L12-W28 HydrophobicContact CB-CH2 3.77Å; L12-W28 HydrophobicContact CB-CZ2 3.99Å; L12-W28 HydrophobicContact CB-CZ3 4.31Å; L12-W28 HydrophobicContact CD1-CE3 4.36Å; L12-W28 HydrophobicContact CD1-CH2 4.33Å; L12-W28 HydrophobicContact CD1-CZ3 4.02Å; C14-W28 HydrophobicContact CB-CH2 3.85Å; C14-W28 HydrophobicContact CB-CZ2 3.81Å; W28-V40 HydrophobicContact CB-CB 4.05Å; W28-V40 WeakPolarHBondContact O-CB 3.16Å; W28-V40 PolarHBondContact O-N 3.21Å; W28-A41 PolarHBondContact N-O 2.94Å; W28-A41 PolarHBondContact O-N 3.05Å; W28-L71 HydrophobicContact CG-CD2 4.46Å; W28-L71 HydrophobicContact CZ2-CD2 4.46Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 4.23Å; W28-L73 HydrophobicContact CD2-CD2 4.27Å; W28-L73 HydrophobicContact CG-CB 4.19Å; W28-L73 HydrophobicContact CG-CD2 3.97Å; W28-L73 HydrophobicContact CG-CG 4.5Å; W28-L73 HydrophobicContact CZ2-CB 4.46Å
29	V	96.3	Very high	95.2	Very high	60 Å²	60	85.6 Å²	85.6	36%	0.364	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	156.7	169.3	-73.7	0	0	0	0	109.4	E38 W39	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 VanDerWaalsContact CA-O 3.23Å; V29-E38 WeakPolarHBondContact CA-O 3.32Å; V29-W39 HydrophobicContact CG1-CD2 4.45Å
30	R	93.9	Very high	95.2	Very high	110 Å²	110	81.9 Å²	81.9	42%	0.415	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.2	170.2	69.4	179.9	-172.3	-179.9	2.2	109.8	E38 V40	R30-E38 HydrophobicContact CG-CB 4.02Å; R30-E38 IonicContact CZ-OE2 3.27Å; R30-E38 VanDerWaalsContact CZ-OE2 3.27Å; R30-E38 PolarHBondContact N-O 2.73Å; R30-E38 IonicContact NE-OE2 2.86Å; R30-E38 PolarHBondContact NE-OE2 2.76Å; R30-E38 IonicContact NH2-OE2 2.8Å; R30-E38 PolarHBondContact NH2-OE2 3.44Å; R30-E38 PolarHBondContact O-N 2.9Å; R30-V40 HydrophobicContact CB-CG2 3.82Å; R30-V40 HydrophobicContact CG-CG2 3.65Å
31	Q	94.3	Very high	95.3	Very high	131 Å²	131	78.1 Å²	78.1	61%	0.612	40%	0.401	S	S	*	.			trans	-135.8	121.7	173.5	-166	175	13.4	0	0	108.3	K35 L37	Q31-K35 VanDerWaalsContact CG-O 3.22Å; Q31-K35 WeakPolarHBondContact CG-O 3.43Å; Q31-K35 PolarHBondContact NE2-O 2.84Å; Q31-L37 HydrophobicContact CB-CD2 4.13Å; Q31-L37 HydrophobicContact CG-CD2 4.44Å
32	A	90.9	Very high	95.4	Very high	39 Å²	39	81.7 Å²	81.7	32%	0.322	42%	0.415	S	S	.	.			trans	-85.8	157.3	169.3	0	0	0	0	0	109.4	E34 K35	A32-E34 PolarHBondContact O-N 3.48Å; A32-K35 HydrophobicContact CB-CB 4.17Å; A32-K35 HydrophobicContact CB-CD 4.03Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 2.86Å
33	P	92.9	Very high	95.5	Very high	120 Å²	120	79.7 Å²	79.7	78%	0.779	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	135.3	169	-24.9	34.5	0	0	0	110.2	K35	P33-K35 PolarHBondContact O-N 3.4Å; P33-K35 VanDerWaalsContact O-N 3.11Å
34	E	93.6	Very high	95.5	Very high	209 Å²	209	75.3 Å²	75.3	98%	0.977	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	4	-179.8	-50.7	178.7	169.8	0	0	116.3	A32	A32-E34 PolarHBondContact O-N 3.48Å
35	K	91.8	Very high	95.5	Very high	120 Å²	120	71.3 Å²	71.3	52%	0.522	37%	0.37	S	S	.	.			trans	-108.9	157.7	176.6	-62.6	-165.5	-178.8	-177.7	0	112.6	Q31 A32 P33	Q31-K35 VanDerWaalsContact CG-O 3.22Å; Q31-K35 WeakPolarHBondContact CG-O 3.43Å; Q31-K35 PolarHBondContact NE2-O 2.84Å; A32-K35 HydrophobicContact CB-CB 4.17Å; A32-K35 HydrophobicContact CB-CD 4.03Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 2.86Å; P33-K35 PolarHBondContact O-N 3.4Å; P33-K35 VanDerWaalsContact O-N 3.11Å
36	G	93.5	Very high	95.4	Very high	51 Å²	51	72.8 Å²	72.8	53%	0.526	39%	0.385	S	S	.	.			trans	-71.9	179.7	168.8	0	0	0	0	0	112.7	E38	G36-E38 PolarHBondContact O-N 3.41Å
37	L	94.6	Very high	95.3	Very high	123 Å²	123	73.8 Å²	73.8	64%	0.644	40%	0.395	S	S	*	.			trans	-68.5	127.4	174.2	-64.5	176.3	0	0	0	110.4	Q31	Q31-L37 HydrophobicContact CB-CD2 4.13Å; Q31-L37 HydrophobicContact CG-CD2 4.44Å
38	E	94.8	Very high	95.2	Very high	60 Å²	60	74.7 Å²	74.7	28%	0.28	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.3	174.4	-64.8	179.9	175.8	0	0	109.6	V29 R30 G36	V29-E38 CarbonylContact C-O 3.56Å; V29-E38 VanDerWaalsContact CA-O 3.23Å; V29-E38 WeakPolarHBondContact CA-O 3.32Å; R30-E38 HydrophobicContact CG-CB 4.02Å; R30-E38 IonicContact CZ-OE2 3.27Å; R30-E38 VanDerWaalsContact CZ-OE2 3.27Å; R30-E38 PolarHBondContact N-O 2.73Å; R30-E38 IonicContact NE-OE2 2.86Å; R30-E38 PolarHBondContact NE-OE2 2.76Å; R30-E38 IonicContact NH2-OE2 2.8Å; R30-E38 PolarHBondContact NH2-OE2 3.44Å; R30-E38 PolarHBondContact O-N 2.9Å; G36-E38 PolarHBondContact O-N 3.41Å
39	W	94.7	Very high	95.2	Very high	132 Å²	132	76.2 Å²	76.2	50%	0.5	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	142.4	170.8	-78	79.7	0	0	0	110.9	H27 V29 Y42 P53	H27-W39 HydrophobicContact CB-CE3 3.81Å; H27-W39 HydrophobicContact CB-CH2 3.81Å; H27-W39 HydrophobicContact CB-CZ3 3.13Å; H27-W39 AromaticContact CD2-CH2 3.48Å; H27-W39 VanDerWaalsContact CD2-CH2 3.48Å; H27-W39 WeakPolarHBondContact CD2-CH2 3.44Å; H27-W39 AromaticContact CD2-CZ3 3.56Å; H27-W39 AromaticContact CE1-CH2 3.72Å; H27-W39 AromaticContact CG-CH2 3.33Å; H27-W39 AromaticContact CG-CZ3 3.22Å; H27-W39 AromaticContact ND1-CH2 3.49Å; H27-W39 WeakPolarHBondContact ND1-CH2 3.49Å; H27-W39 AromaticContact ND1-CZ3 3.81Å; H27-W39 AromaticContact NE2-CH2 3.74Å; V29-W39 HydrophobicContact CG1-CD2 4.45Å; W39-Y42 HydrophobicContact CZ3-CD2 4.42Å; W39-P53 VanDerWaalsContact O-CG 3.24Å; W39-P53 WeakPolarHBondContact O-CG 3.27Å
40	V	96.5	Very high	95.3	Very high	8 Å²	8	77 Å²	77	5%	0.048	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-46.3	178	-179.3	0	0	0	0	111.1	W28 R30 P53 V56 F60 L73	W28-V40 HydrophobicContact CB-CB 4.05Å; W28-V40 WeakPolarHBondContact O-CB 3.16Å; W28-V40 PolarHBondContact O-N 3.21Å; R30-V40 HydrophobicContact CB-CG2 3.82Å; R30-V40 HydrophobicContact CG-CG2 3.65Å; V40-P53 WeakPolarHBondContact O-CD 3.42Å; V40-V56 HydrophobicContact CG1-CG2 4.46Å; V40-V56 WeakPolarHBondContact O-CG2 3.49Å; V40-F60 HydrophobicContact CG1-CD2 3.73Å; V40-F60 HydrophobicContact CG1-CE2 4.14Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å
41	A	97.7	Very high	95.5	Very high	1 Å²	1	78.3 Å²	78.3	1%	0.008	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	150.4	177.8	0	0	0	0	0	110.6	H27 W28 Y51 Y52 I62 L73	H27-A41 CarbonylContact C-O 3.54Å; H27-A41 WeakPolarHBondContact CA-O 3.47Å; H27-A41 VanDerWaalsContact CB-O 3.27Å; H27-A41 WeakPolarHBondContact CB-O 3.48Å; W28-A41 PolarHBondContact N-O 2.94Å; W28-A41 PolarHBondContact O-N 3.05Å; A41-Y51 WeakPolarHBondContact CA-O 3.43Å; A41-Y52 HydrophobicContact CB-CD1 3.65Å; A41-Y52 HydrophobicContact CB-CE1 3.64Å; A41-I62 HydrophobicContact CB-CB 3.78Å; A41-I62 HydrophobicContact CB-CD1 3.83Å; A41-I62 HydrophobicContact CB-CG1 4.33Å; A41-I62 HydrophobicContact CB-CG2 4Å; A41-L73 HydrophobicContact CB-CD1 4.18Å
42	Y	98.1	Very high	95.6	Very high	77 Å²	77	74 Å²	74	30%	0.302	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142	173.3	167	-99.9	0	0	0	110.4	M26 H27 W39 T49 I50 Y51	M26-Y42 WeakPolarHBondContact O-CA 3.49Å; M26-Y42 WeakPolarHBondContact O-CD2 3.33Å; H27-Y42 HydrophobicContact CB-CD2 4.3Å; W39-Y42 HydrophobicContact CZ3-CD2 4.42Å; Y42-T49 HydrophobicContact CE1-CG2 4.45Å; Y42-I50 WeakPolarHBondContact O-CA 3.46Å; Y42-I50 WeakPolarHBondContact O-CG2 3.32Å; Y42-Y51 PolarHBondContact N-O 3.22Å; Y42-Y51 PolarHBondContact O-N 2.94Å
43	I	98.4	Very high	95.9	Very high	3 Å²	3	73.2 Å²	73.2	2%	0.015	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	127.6	172.3	-172.1	160.8	0	0	0	110	G25 M26 I50 I62 R64 L71	G25-I43 CarbonylContact C-O 3.6Å; G25-I43 WeakPolarHBondContact CA-O 3.35Å; M26-I43 HydrophobicContact CB-CG2 4.19Å; M26-I43 PolarHBondContact N-O 2.83Å; M26-I43 PolarHBondContact O-N 3.01Å; I43-I50 HydrophobicContact CD1-CD1 4.14Å; I43-I50 HydrophobicContact CD1-CG1 4.23Å; I43-I50 HydrophobicContact CG1-CG1 4.06Å; I43-I62 HydrophobicContact CB-CD1 4.02Å; I43-I62 HydrophobicContact CB-CG1 4.33Å; I43-I62 HydrophobicContact CB-CG2 4.02Å; I43-I62 HydrophobicContact CD1-CG2 4.48Å; I43-I62 HydrophobicContact CG2-CD1 3.62Å; I43-I62 HydrophobicContact CG2-CG1 4Å; I43-R64 HydrophobicContact CD1-CB 4.43Å; I43-R64 HydrophobicContact CD1-CG 3.85Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; I43-L71 HydrophobicContact CG2-CD1 3.57Å
44	S	98.1	Very high	95.9	Very high	10 Å²	10	74.2 Å²	74.2	7%	0.07	40%	0.401	C	S	.	.			trans	-63.7	164.5	173.8	54.8	0	0	0	0	113	G46 S47 S48 T49 R64	S44-G46 VanDerWaalsContact C-N 3.32Å; S44-G46 PolarHBondContact O-N 2.96Å; S44-S47 PolarHBondContact O-N 2.99Å; S44-S47 VanDerWaalsContact O-N 3.12Å; S44-S47 PolarHBondContact OG-N 2.97Å; S44-S48 PolarHBondContact OG-N 2.9Å; S44-T49 PolarHBondContact N-O 3.31Å; S44-T49 PolarHBondContact OG-N 2.87Å; S44-T49 PolarHBondContact OG-O 3.06Å; S44-R64 PolarHBondContact O-NH1 3.01Å
45	S	96.4	Very high	95.8	Very high	50 Å²	50	68.2 Å²	68.2	35%	0.35	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-49.7	174.3	41.7	0	0	0	0	113.2	S22 R64 N66	S22-S45 WeakPolarHBondContact O-CB 3.31Å; S45-R64 PolarHBondContact O-NE 3.26Å; S45-N66 PolarHBondContact O-ND2 3.04Å
46	G	94	Very high	95.8	Very high	59 Å²	59	62.6 Å²	62.6	61%	0.608	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	4.3	179.9	0	0	0	0	0	115.4	S44 S48	S44-G46 VanDerWaalsContact C-N 3.32Å; S44-G46 PolarHBondContact O-N 2.96Å; G46-S48 PolarHBondContact O-N 2.9Å
47	S	95.8	Very high	95.9	Very high	51 Å²	51	66.5 Å²	66.5	36%	0.357	36%	0.357	S	S	.	.	S	Bend	trans	58.1	11.5	-175	-47.9	0	0	0	0	115.7	S44 R64	S44-S47 PolarHBondContact O-N 2.99Å; S44-S47 VanDerWaalsContact O-N 3.12Å; S44-S47 PolarHBondContact OG-N 2.97Å; S47-R64 WeakPolarHBondContact OG-CD 3.43Å; S47-R64 WeakPolarHBondContact OG-CG 3.36Å
48	S	95.9	Very high	95.8	Very high	106 Å²	106	64.5 Å²	64.5	74%	0.741	37%	0.367	S	S	*	.	S	Bend	trans	-73.5	-31	179	58.3	0	0	0	0	112.4	S44 G46	S44-S48 PolarHBondContact OG-N 2.9Å; G46-S48 PolarHBondContact O-N 2.9Å
49	T	97.5	Very high	95.8	Very high	81 Å²	81	65 Å²	65	50%	0.497	37%	0.366	S	S	.	.			trans	-114.5	127.4	175.2	-53.9	0	0	0	0	110.1	Y42 S44	Y42-T49 HydrophobicContact CE1-CG2 4.45Å; S44-T49 PolarHBondContact N-O 3.31Å; S44-T49 PolarHBondContact OG-N 2.87Å; S44-T49 PolarHBondContact OG-O 3.06Å
50	I	98.1	Very high	95.8	Very high	77 Å²	77	59.5 Å²	59.5	40%	0.395	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.1	173.2	-57.4	179.1	0	0	0	108.3	Y42 I43 Y52 I62	Y42-I50 WeakPolarHBondContact O-CA 3.46Å; Y42-I50 WeakPolarHBondContact O-CG2 3.32Å; I43-I50 HydrophobicContact CD1-CD1 4.14Å; I43-I50 HydrophobicContact CD1-CG1 4.23Å; I43-I50 HydrophobicContact CG1-CG1 4.06Å; I50-Y52 HydrophobicContact CB-CE2 4.48Å; I50-Y52 HydrophobicContact CG2-CD2 4.07Å; I50-Y52 HydrophobicContact CG2-CE1 4.34Å; I50-Y52 HydrophobicContact CG2-CE2 3.31Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.49Å; I50-I62 HydrophobicContact CG2-CG2 3.56Å
51	Y	97.8	Very high	95.9	Very high	136 Å²	136	62.4 Å²	62.4	53%	0.533	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.4	177.5	175.8	-95.7	0	0	0	111.2	A41 Y42	A41-Y51 WeakPolarHBondContact CA-O 3.43Å; Y42-Y51 PolarHBondContact N-O 3.22Å; Y42-Y51 PolarHBondContact O-N 2.94Å
52	Y	97.4	Very high	95.9	Very high	41 Å²	41	62.6 Å²	62.6	16%	0.161	37%	0.365	C	S	.	.			trans	-132.4	137.2	173.3	-57.9	-81.1	0	0	0	109.2	A41 I50 F60 T61 I62	A41-Y52 HydrophobicContact CB-CD1 3.65Å; A41-Y52 HydrophobicContact CB-CE1 3.64Å; I50-Y52 HydrophobicContact CB-CE2 4.48Å; I50-Y52 HydrophobicContact CG2-CD2 4.07Å; I50-Y52 HydrophobicContact CG2-CE1 4.34Å; I50-Y52 HydrophobicContact CG2-CE2 3.31Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.49Å; Y52-F60 WeakPolarHBondContact CE1-O 2.99Å; Y52-T61 WeakPolarHBondContact OH-CA 3.26Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CG2 3.95Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.47Å; Y52-I62 PolarHBondContact OH-N 3.12Å
53	P	95.7	Very high	95.9	Very high	22 Å²	22	61.2 Å²	61.2	14%	0.143	37%	0.366	C	S	.	.			trans	-68.2	152.2	166.7	21.9	-18.6	0	0	0	110.7	W39 V40 T55 V56 K57	W39-P53 VanDerWaalsContact O-CG 3.24Å; W39-P53 WeakPolarHBondContact O-CG 3.27Å; V40-P53 WeakPolarHBondContact O-CD 3.42Å; P53-T55 PolarHBondContact O-N 3.48Å; P53-V56 HydrophobicContact CG-CG2 3.89Å; P53-V56 PolarHBondContact O-N 3.37Å; P53-K57 WeakPolarHBondContact O-CB 2.99Å; P53-K57 PolarHBondContact O-N 3.46Å
54	D	94.1	Very high	95.9	Very high	141 Å²	141	62.5 Å²	62.5	75%	0.754	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.8	-174.9	-65.5	-33.6	0	0	0	113.5	V56	D54-V56 PolarHBondContact O-N 3.47Å
55	T	90.9	Very high	95.8	Very high	84 Å²	84	64 Å²	64	52%	0.515	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-27.1	178.2	58.4	0	0	0	0	113.4	P53 R59	P53-T55 PolarHBondContact O-N 3.48Å; T55-R59 PolarHBondContact O-NE 2.85Å; T55-R59 PolarHBondContact O-NH2 3.02Å
56	V	92.8	Very high	95.8	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.006	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-7.4	-176.1	-58.6	0	0	0	0	113.7	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG2 4.46Å; V40-V56 WeakPolarHBondContact O-CG2 3.49Å; P53-V56 HydrophobicContact CG-CG2 3.89Å; P53-V56 PolarHBondContact O-N 3.37Å; D54-V56 PolarHBondContact O-N 3.47Å; V56-G58 PolarHBondContact O-N 3.37Å; V56-R59 WeakPolarHBondContact O-CA 3.4Å; V56-R59 WeakPolarHBondContact O-CB 3.02Å; V56-R59 PolarHBondContact O-N 3Å; V56-F60 HydrophobicContact CB-CB 4.38Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 4Å; V56-F60 HydrophobicContact CB-CG 3.99Å; V56-F60 HydrophobicContact CG1-CD2 3.66Å; V56-F60 HydrophobicContact CG1-CE2 3.52Å; V56-F60 HydrophobicContact CG1-CG 4.43Å; V56-F60 HydrophobicContact CG1-CZ 4.2Å; V56-F60 HydrophobicContact CG2-CD2 4.18Å; V56-F60 PolarHBondContact O-N 2.76Å
57	K	93.9	Very high	95.9	Very high	133 Å²	133	66.3 Å²	66.3	58%	0.578	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	133.8	175.9	-169	173.7	-176.2	178.7	0	110.8	P53 R59	P53-K57 WeakPolarHBondContact O-CB 2.99Å; P53-K57 PolarHBondContact O-N 3.46Å; K57-R59 PolarHBondContact O-N 2.87Å
58	G	93.1	Very high	95.9	Very high	82 Å²	82	70.7 Å²	70.7	85%	0.845	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	-2.8	-175.7	0	0	0	0	0	115.1	V56	V56-G58 PolarHBondContact O-N 3.37Å
59	R	94.5	Very high	96	Very high	71 Å²	71	68.6 Å²	68.6	27%	0.268	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-48.4	175.1	-57	-165.3	-65.2	148.8	-3.9	111.8	T55 V56 K57 P76	T55-R59 PolarHBondContact O-NE 2.85Å; T55-R59 PolarHBondContact O-NH2 3.02Å; V56-R59 WeakPolarHBondContact O-CA 3.4Å; V56-R59 WeakPolarHBondContact O-CB 3.02Å; V56-R59 PolarHBondContact O-N 3Å; K57-R59 PolarHBondContact O-N 2.87Å; R59-P76 WeakPolarHBondContact O-CD 3.27Å; R59-P76 WeakPolarHBondContact O-CG 3.13Å
60	F	95.6	Very high	96	Very high	15 Å²	15	65.6 Å²	65.6	7%	0.066	36%	0.361	C	S	.	.			trans	-99.2	150.4	-176.8	-62.6	-7.6	0	0	0	111.5	V40 Y52 V56 L73 Q74 M75 L78	V40-F60 HydrophobicContact CG1-CD2 3.73Å; V40-F60 HydrophobicContact CG1-CE2 4.14Å; Y52-F60 WeakPolarHBondContact CE1-O 2.99Å; V56-F60 HydrophobicContact CB-CB 4.38Å; V56-F60 HydrophobicContact CB-CD2 3.6Å; V56-F60 HydrophobicContact CB-CE2 4Å; V56-F60 HydrophobicContact CB-CG 3.99Å; V56-F60 HydrophobicContact CG1-CD2 3.66Å; V56-F60 HydrophobicContact CG1-CE2 3.52Å; V56-F60 HydrophobicContact CG1-CG 4.43Å; V56-F60 HydrophobicContact CG1-CZ 4.2Å; V56-F60 HydrophobicContact CG2-CD2 4.18Å; V56-F60 PolarHBondContact O-N 2.76Å; F60-L73 HydrophobicContact CB-CD1 4.25Å; F60-Q74 WeakPolarHBondContact CA-O 3.26Å; F60-M75 HydrophobicContact CD1-CB 3.79Å; F60-M75 HydrophobicContact CD1-CG 3.71Å; F60-M75 HydrophobicContact CD2-CG 3.86Å; F60-M75 HydrophobicContact CD2-SD 4.32Å; F60-M75 HydrophobicContact CE1-CB 3.65Å; F60-M75 HydrophobicContact CE1-CG 3.76Å; F60-M75 HydrophobicContact CE2-CG 3.89Å; F60-M75 HydrophobicContact CE2-SD 3.92Å; F60-M75 HydrophobicContact CG-CB 4.38Å; F60-M75 HydrophobicContact CG-CG 3.78Å; F60-M75 HydrophobicContact CZ-CB 4.1Å; F60-M75 HydrophobicContact CZ-CG 3.85Å; F60-M75 HydrophobicContact CZ-SD 4.03Å; F60-L78 HydrophobicContact CE1-CD2 4.11Å; F60-L78 HydrophobicContact CZ-CD2 3.96Å
61	T	97.4	Very high	96	Very high	70 Å²	70	62 Å²	62	43%	0.429	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	115.8	178.2	-52.1	0	0	0	0	109.7	Y52 Q74	Y52-T61 WeakPolarHBondContact OH-CA 3.26Å; T61-Q74 PolarHBondContact N-O 2.77Å; T61-Q74 PolarHBondContact O-N 3.43Å
62	I	98.2	Very high	96	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	140.1	169.1	-165.9	172.7	0	0	0	109.4	A41 I43 I50 Y52 L71 F72 L73	A41-I62 HydrophobicContact CB-CB 3.78Å; A41-I62 HydrophobicContact CB-CD1 3.83Å; A41-I62 HydrophobicContact CB-CG1 4.33Å; A41-I62 HydrophobicContact CB-CG2 4Å; I43-I62 HydrophobicContact CB-CD1 4.02Å; I43-I62 HydrophobicContact CB-CG1 4.33Å; I43-I62 HydrophobicContact CB-CG2 4.02Å; I43-I62 HydrophobicContact CD1-CG2 4.48Å; I43-I62 HydrophobicContact CG2-CD1 3.62Å; I43-I62 HydrophobicContact CG2-CG1 4Å; I50-I62 HydrophobicContact CG2-CG2 3.56Å; Y52-I62 HydrophobicContact CE1-CB 4.3Å; Y52-I62 HydrophobicContact CE1-CG2 3.95Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.47Å; Y52-I62 PolarHBondContact OH-N 3.12Å; I62-L71 HydrophobicContact CD1-CD1 3.99Å; I62-L71 HydrophobicContact CD1-CD2 4.41Å; I62-L71 HydrophobicContact CD1-CG 4.49Å; I62-L71 HydrophobicContact CG1-CD1 3.94Å; I62-L71 HydrophobicContact CG1-CG 4.46Å; I62-F72 WeakPolarHBondContact CA-O 3.49Å; I62-F72 WeakPolarHBondContact CG1-O 3.35Å; I62-L73 HydrophobicContact CB-CD1 4.22Å
63	S	98	Very high	96.1	Very high	49 Å²	49	55.8 Å²	55.8	34%	0.343	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	161.2	172.4	61.5	0	0	0	0	110.7	L71 F72	S63-L71 WeakPolarHBondContact O-CD1 3.32Å; S63-F72 PolarHBondContact N-O 3.14Å; S63-F72 PolarHBondContact O-N 3.47Å
64	R	97.9	Very high	96.1	Very high	29 Å²	29	59.5 Å²	59.5	11%	0.109	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	150.1	-178.5	64.4	-176	-69.7	156.7	1.7	111.2	F21 Y24 I43 S44 S45 S47 N66 T70 L71	F21-R64 VanDerWaalsContact CD1-NH2 3.3Å; F21-R64 HydrophobicContact CE1-CB 4.19Å; F21-R64 VanDerWaalsContact CE1-NH2 3.27Å; F21-R64 HydrophobicContact CZ-CB 4.25Å; F21-R64 PolarHBondContact O-NH2 2.95Å; Y24-R64 PolarHBondContact O-NH1 2.97Å; I43-R64 HydrophobicContact CD1-CB 4.43Å; I43-R64 HydrophobicContact CD1-CG 3.85Å; I43-R64 HydrophobicContact CG1-CG 4.43Å; S44-R64 PolarHBondContact O-NH1 3.01Å; S45-R64 PolarHBondContact O-NE 3.26Å; S47-R64 WeakPolarHBondContact OG-CD 3.43Å; S47-R64 WeakPolarHBondContact OG-CG 3.36Å; R64-N66 PolarHBondContact NE-OD1 3.04Å; R64-N66 PolarHBondContact NH2-OD1 3.13Å; R64-T70 CarbonylContact C-O 3.59Å; R64-T70 WeakPolarHBondContact CA-O 3.37Å; R64-L71 HydrophobicContact CB-CD1 4.07Å
65	D	97.1	Very high	96.1	Very high	43 Å²	43	53.6 Å²	53.6	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	106.1	171.1	-175.5	-24.8	0	0	0	107.9	A67 K68 N69 T70 F72	D65-A67 PolarHBondContact OD1-N 2.88Å; D65-K68 HydrophobicContact CB-CB 4.2Å; D65-K68 PolarHBondContact O-N 2.83Å; D65-K68 PolarHBondContact OD1-N 2.81Å; D65-K68 WeakPolarHBondContact OD2-CD 3.22Å; D65-K68 VanDerWaalsContact OD2-CE 3.27Å; D65-K68 WeakPolarHBondContact OD2-CE 3.44Å; D65-K68 WeakPolarHBondContact OD2-CG 3.23Å; D65-K68 IonicContact OD2-NZ 3.36Å; D65-K68 PolarHBondContact OD2-NZ 2.81Å; D65-N69 PolarHBondContact O-N 2.74Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.83Å; D65-F72 HydrophobicContact CB-CE2 4.05Å
66	N	96.2	Very high	96.1	Very high	61 Å²	61	51.9 Å²	51.9	33%	0.326	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-29.2	-178	-73.7	-12.2	0	0	0	112.6	F21 S45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.35Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.44Å; S45-N66 PolarHBondContact O-ND2 3.04Å; R64-N66 PolarHBondContact NE-OD1 3.04Å; R64-N66 PolarHBondContact NH2-OD1 3.13Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 2.81Å; N66-N69 PolarHBondContact O-N 3.03Å; N66-N69 PolarHBondContact O-OD1 3.41Å
67	A	95.8	Very high	95.8	Very high	96 Å²	96	55.5 Å²	55.5	79%	0.793	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-30.7	177.2	0	0	0	0	0	111.2	D65	D65-A67 PolarHBondContact OD1-N 2.88Å
68	K	96.8	Very high	95.4	Very high	142 Å²	142	50.8 Å²	50.8	62%	0.617	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	4.2	178.2	-60.1	-177	-166.4	153.6	0	114.1	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.2Å; D65-K68 PolarHBondContact O-N 2.83Å; D65-K68 PolarHBondContact OD1-N 2.81Å; D65-K68 WeakPolarHBondContact OD2-CD 3.22Å; D65-K68 VanDerWaalsContact OD2-CE 3.27Å; D65-K68 WeakPolarHBondContact OD2-CE 3.44Å; D65-K68 WeakPolarHBondContact OD2-CG 3.23Å; D65-K68 IonicContact OD2-NZ 3.36Å; D65-K68 PolarHBondContact OD2-NZ 2.81Å; N66-K68 VanDerWaalsContact C-N 3.28Å; N66-K68 PolarHBondContact O-N 2.81Å; K68-T70 PolarHBondContact O-N 3.26Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 2.78Å
69	N	97.4	Very high	94.9	Very high	62 Å²	62	56 Å²	56	33%	0.332	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	39.3	-174.1	-60.5	-32.6	0	0	0	113.2	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.78Å; F21-N69 HydrophobicContact CB-CB 3.87Å; F21-N69 WeakPolarHBondContact CB-OD1 3.23Å; F21-N69 HydrophobicContact CD1-CB 4.47Å; F21-N69 HydrophobicContact CG-CB 4.11Å; D65-N69 PolarHBondContact O-N 2.74Å; N66-N69 PolarHBondContact O-N 3.03Å; N66-N69 PolarHBondContact O-OD1 3.41Å
70	T	98.1	Very high	93.5	Very high	19 Å²	19	60.4 Å²	60.4	12%	0.117	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.4	-170.6	-57.4	0	0	0	0	111.7	C14 R64 D65 K68 F72	C14-T70 CarbonylContact O-C 3.54Å; C14-T70 WeakPolarHBondContact O-CA 3.24Å; R64-T70 CarbonylContact C-O 3.59Å; R64-T70 WeakPolarHBondContact CA-O 3.37Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.83Å; K68-T70 PolarHBondContact O-N 3.26Å; K68-T70 VanDerWaalsContact O-N 3.08Å; K68-T70 PolarHBondContact O-OG1 2.78Å; T70-F72 HydrophobicContact CG2-CD1 4.21Å; T70-F72 HydrophobicContact CG2-CD2 4.41Å; T70-F72 HydrophobicContact CG2-CE1 3.57Å; T70-F72 HydrophobicContact CG2-CE2 3.8Å; T70-F72 HydrophobicContact CG2-CZ 3.34Å
71	L	98.3	Very high	93.4	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.4	171.6	-172.6	72	0	0	0	110.1	S13 C14 F21 M26 W28 I43 I62 S63 R64	S13-L71 CarbonylContact C-O 3.6Å; S13-L71 VanDerWaalsContact CA-O 3.26Å; S13-L71 WeakPolarHBondContact CA-O 3.36Å; C14-L71 HydrophobicContact CB-CB 4.3Å; C14-L71 PolarHBondContact N-O 3.44Å; C14-L71 PolarHBondContact O-N 2.86Å; F21-L71 HydrophobicContact CE2-CB 4.42Å; F21-L71 HydrophobicContact CZ-CB 4.2Å; M26-L71 HydrophobicContact CB-CD1 3.84Å; M26-L71 HydrophobicContact CB-CD2 3.84Å; M26-L71 HydrophobicContact CB-CG 4.39Å; W28-L71 HydrophobicContact CG-CD2 4.46Å; W28-L71 HydrophobicContact CZ2-CD2 4.46Å; I43-L71 HydrophobicContact CG2-CD1 3.57Å; I62-L71 HydrophobicContact CD1-CD1 3.99Å; I62-L71 HydrophobicContact CD1-CD2 4.41Å; I62-L71 HydrophobicContact CD1-CG 4.49Å; I62-L71 HydrophobicContact CG1-CD1 3.94Å; I62-L71 HydrophobicContact CG1-CG 4.46Å; S63-L71 WeakPolarHBondContact O-CD1 3.32Å; R64-L71 HydrophobicContact CB-CD1 4.07Å
72	F	98.1	Very high	93.2	Very high	42 Å²	42	62.3 Å²	62.3	18%	0.184	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	148.6	177.6	-56.3	-80.1	0	0	0	111.5	K11 L12 I62 S63 D65 T70	K11-F72 VanDerWaalsContact CE-CD1 3.48Å; L12-F72 VanDerWaalsContact O-CA 3.26Å; L12-F72 WeakPolarHBondContact O-CA 3.41Å; I62-F72 WeakPolarHBondContact CA-O 3.49Å; I62-F72 WeakPolarHBondContact CG1-O 3.35Å; S63-F72 PolarHBondContact N-O 3.14Å; S63-F72 PolarHBondContact O-N 3.47Å; D65-F72 HydrophobicContact CB-CE2 4.05Å; T70-F72 HydrophobicContact CG2-CD1 4.21Å; T70-F72 HydrophobicContact CG2-CD2 4.41Å; T70-F72 HydrophobicContact CG2-CE1 3.57Å; T70-F72 HydrophobicContact CG2-CE2 3.8Å; T70-F72 HydrophobicContact CG2-CZ 3.34Å
73	L	97.7	Very high	92.9	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	115.1	168.1	-174.4	69.7	0	0	0	109.3	K11 L12 W28 V40 A41 F60 I62 M75	K11-L73 CarbonylContact C-O 3.47Å; K11-L73 WeakPolarHBondContact CA-O 3.45Å; L12-L73 HydrophobicContact CB-CB 4.36Å; L12-L73 PolarHBondContact N-O 2.99Å; L12-L73 PolarHBondContact O-N 3.08Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 4.23Å; W28-L73 HydrophobicContact CD2-CD2 4.27Å; W28-L73 HydrophobicContact CG-CB 4.19Å; W28-L73 HydrophobicContact CG-CD2 3.97Å; W28-L73 HydrophobicContact CG-CG 4.5Å; W28-L73 HydrophobicContact CZ2-CB 4.46Å; V40-L73 HydrophobicContact CG1-CD2 3.89Å; A41-L73 HydrophobicContact CB-CD1 4.18Å; F60-L73 HydrophobicContact CB-CD1 4.25Å; I62-L73 HydrophobicContact CB-CD1 4.22Å; L73-M75 HydrophobicContact CD2-CE 4.37Å; L73-M75 HydrophobicContact CD2-CG 4.01Å; L73-M75 HydrophobicContact CD2-SD 3.78Å; L73-M75 HydrophobicContact CG-CG 3.95Å; L73-M75 HydrophobicContact CG-SD 4.34Å
74	Q	96.5	Very high	92.6	Very high	99 Å²	99	66.5 Å²	66.5	46%	0.463	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125	174	-172	167.5	-0.8	0	0	109.7	F60 T61	F60-Q74 WeakPolarHBondContact CA-O 3.26Å; T61-Q74 PolarHBondContact N-O 2.77Å; T61-Q74 PolarHBondContact O-N 3.43Å
75	M	94.4	Very high	92.2	Very high	18 Å²	18	68.9 Å²	68.9	9%	0.089	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	85	-177.6	-61.7	176	-73.4	0	0	108.9	S9 L10 L12 F60 L73 L78	S9-M75 VanDerWaalsContact CA-O 3.31Å; S9-M75 WeakPolarHBondContact CA-O 3.37Å; L10-M75 HydrophobicContact CB-CE 4.07Å; L10-M75 HydrophobicContact CD2-CE 3.78Å; L10-M75 HydrophobicContact CG-CE 3.94Å; L10-M75 PolarHBondContact N-O 3.48Å; L10-M75 PolarHBondContact O-N 3.04Å; L12-M75 HydrophobicContact CD1-CE 3.55Å; L12-M75 HydrophobicContact CD2-CE 4.39Å; L12-M75 HydrophobicContact CG-CE 3.54Å; F60-M75 HydrophobicContact CD1-CB 3.79Å; F60-M75 HydrophobicContact CD1-CG 3.71Å; F60-M75 HydrophobicContact CD2-CG 3.86Å; F60-M75 HydrophobicContact CD2-SD 4.32Å; F60-M75 HydrophobicContact CE1-CB 3.65Å; F60-M75 HydrophobicContact CE1-CG 3.76Å; F60-M75 HydrophobicContact CE2-CG 3.89Å; F60-M75 HydrophobicContact CE2-SD 3.92Å; F60-M75 HydrophobicContact CG-CB 4.38Å; F60-M75 HydrophobicContact CG-CG 3.78Å; F60-M75 HydrophobicContact CZ-CB 4.1Å; F60-M75 HydrophobicContact CZ-CG 3.85Å; F60-M75 HydrophobicContact CZ-SD 4.03Å; L73-M75 HydrophobicContact CD2-CE 4.37Å; L73-M75 HydrophobicContact CD2-CG 4.01Å; L73-M75 HydrophobicContact CD2-SD 3.78Å; L73-M75 HydrophobicContact CG-CG 3.95Å; L73-M75 HydrophobicContact CG-SD 4.34Å; M75-L78 HydrophobicContact CB-CD2 3.82Å; M75-L78 HydrophobicContact CB-CG 4.24Å; M75-L78 HydrophobicContact SD-CD2 4.3Å
76	P	91.2	Very high	91.9	Very high	47 Å²	47	70.6 Å²	70.6	31%	0.305	39%	0.39	S	S	.	.			trans	-68.5	147.9	174.6	30.1	-35.4	0	0	0	111.5	S9 R59 L78	S9-P76 WeakPolarHBondContact OG-CA 3.35Å; R59-P76 WeakPolarHBondContact O-CD 3.27Å; R59-P76 WeakPolarHBondContact O-CG 3.13Å; P76-L78 PolarHBondContact O-N 3.05Å
77	S	86.3	Confident	91.6	Very high	77 Å²	77	71.3 Å²	71.3	54%	0.538	39%	0.394	S	S	.	.	S	Bend	trans	46	58.9	169.8	-56	0	0	0	0	113.5	S9 R79	S9-S77 PolarHBondContact OG-N 3.5Å; S77-R79 PolarHBondContact O-N 3.36Å
78	L	84.1	Confident	91.3	Very high	34 Å²	34	69.4 Å²	69.4	18%	0.178	36%	0.364	C	S	.	.			trans	-56.6	135.1	179.6	-76.1	169.4	0	0	0	110.7	V4 P6 G7 R8 L10 F60 M75 P76	V4-L78 HydrophobicContact CG2-CD1 3.52Å; P6-L78 CarbonylContact C-O 3.52Å; G7-L78 PolarHBondContact N-O 3.44Å; R8-L78 PolarHBondContact O-N 3.03Å; L10-L78 HydrophobicContact CB-CD1 3.75Å; L10-L78 HydrophobicContact CD2-CD1 4.39Å; F60-L78 HydrophobicContact CE1-CD2 4.11Å; F60-L78 HydrophobicContact CZ-CD2 3.96Å; M75-L78 HydrophobicContact CB-CD2 3.82Å; M75-L78 HydrophobicContact CB-CG 4.24Å; M75-L78 HydrophobicContact SD-CD2 4.3Å; P76-L78 PolarHBondContact O-N 3.05Å
79	R	82.6	Confident	90.8	Very high	191 Å²	191	63.3 Å²	63.3	72%	0.721	34%	0.343	S	S	*	.			trans	-91.8	152	176.2	-61.4	-175.4	-177.6	177.5	-2.3	109.3	S77	S77-R79 PolarHBondContact O-N 3.36Å
80	S	65.5	Low	90.2	Very high	165 Å²	165	63.5 Å²	63.5	100%	1.154	34%	0.344	S	S	*	.			trans	-65.1	0	168.7	61.9	0	0	0	0	110.9

Retrieved 80 of 80 residues in 17.5 ms (Link to these results)

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