X5J4V9_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4V9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 92 aa.

						>X5J4V9_MOUSE|X5J4V9
PGMVKPSQSLSLTCTVTGYSITSGYDWHWIRHFPGNKLEWMGYISYSGSTNYNPSLKSRISITHDTSKNHFFLKLNSVTTEDTATYYCARVG
					

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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	P	55.6	Low	78.7	Confident	170 Å²	170	99.5 Å²	99.5	100%	1.104	60%	0.6	S	S	*	*				0	126.2	0	-9.4	27.8	0	0	0	109.8
2	G	70.1	Confident	80	Confident	64 Å²	64	93.2 Å²	93.2	66%	0.66	56%	0.56	S	S	*	*			trans	-100.7	162.5	-172.5	0	0	0	0	0	113.4	V4	G2-V4 PolarHBondContact O-N 3.32Å
3	M	71.4	Confident	81.2	Confident	201 Å²	201	91.5 Å²	91.5	99%	0.99	55%	0.551	S	S	*	*			trans	-67.2	124	172.6	-166	177.8	-75.1	0	0	109.4
4	V	75.5	Confident	82.1	Confident	47 Å²	47	85.9 Å²	85.9	29%	0.285	52%	0.518	S	S	.	.			trans	-107.2	138.8	179.4	-179.5	0	0	0	0	108.7	G2 Q8 L10	G2-V4 PolarHBondContact O-N 3.32Å; V4-Q8 HydrophobicContact CG1-CB 3.64Å; V4-L10 HydrophobicContact CG2-CD1 3.69Å
5	K	76.2	Confident	83	Confident	152 Å²	152	85.3 Å²	85.3	66%	0.661	52%	0.515	S	S	*	.			trans	-73.1	150	177.2	-66.8	-177.3	-179.9	-179.2	0	110.2	Q8	K5-Q8 HydrophobicContact CB-CG 4.27Å; K5-Q8 WeakPolarHBondContact O-CB 3.4Å; K5-Q8 PolarHBondContact O-N 3.27Å
6	P	74.9	Confident	83.5	Confident	85 Å²	85	81.2 Å²	81.2	55%	0.552	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	148.7	172	-25.7	34.5	0	0	0	112.1	Q8 V78	P6-Q8 PolarHBondContact O-N 3.37Å; P6-V78 WeakPolarHBondContact CA-O 3.5Å
7	S	78.3	Confident	84	Confident	104 Å²	104	83.6 Å²	83.6	73%	0.727	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	-1.6	-177.8	-48.9	0	0	0	0	116	V78	S7-V78 PolarHBondContact N-O 3.11Å
8	Q	87.7	Confident	84.3	Confident	101 Å²	101	83.9 Å²	83.9	47%	0.472	53%	0.529	S	S	.	.	S	Bend	trans	-84.3	170.9	169.2	-64.3	-173.7	-35.4	0	0	111.3	V4 K5 P6 S77 V78	V4-Q8 HydrophobicContact CG1-CB 3.64Å; K5-Q8 HydrophobicContact CB-CG 4.27Å; K5-Q8 WeakPolarHBondContact O-CB 3.4Å; K5-Q8 PolarHBondContact O-N 3.27Å; P6-Q8 PolarHBondContact O-N 3.37Å; Q8-S77 PolarHBondContact O-N 2.88Å; Q8-V78 WeakPolarHBondContact O-CG2 3.36Å; Q8-V78 PolarHBondContact O-N 3.36Å; Q8-V78 VanDerWaalsContact O-N 3.1Å
9	S	90.3	Very high	84.3	Confident	63 Å²	63	84.2 Å²	84.2	44%	0.441	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-95.2	132.8	171.4	-55.7	0	0	0	0	110.1	L75 N76	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 VanDerWaalsContact CA-O 3.27Å; S9-L75 WeakPolarHBondContact CA-O 3.43Å; S9-N76 PolarHBondContact OG-OD1 2.85Å
10	L	91.5	Very high	84.5	Confident	24 Å²	24	82.6 Å²	82.6	13%	0.126	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	130.7	168.7	174	66.7	0	0	0	108.6	V4 L12 K74 L75 V78 Y86	V4-L10 HydrophobicContact CG2-CD1 3.69Å; L10-L12 HydrophobicContact CD1-CD2 3.99Å; L10-L12 HydrophobicContact CD1-CG 4.25Å; L10-L12 HydrophobicContact CD2-CD1 4.09Å; L10-L12 HydrophobicContact CD2-CG 4.19Å; L10-L12 HydrophobicContact CG-CD1 4.48Å; L10-L12 HydrophobicContact CG-CD2 4.32Å; L10-L12 HydrophobicContact CG-CG 4.04Å; L10-K74 CarbonylContact O-C 3.57Å; L10-K74 WeakPolarHBondContact O-CA 3.29Å; L10-L75 HydrophobicContact CB-CB 4.42Å; L10-L75 PolarHBondContact N-O 3.46Å; L10-L75 PolarHBondContact O-N 3.27Å; L10-V78 HydrophobicContact CB-CG2 3.73Å; L10-Y86 HydrophobicContact CD2-CD2 4.49Å; L10-Y86 HydrophobicContact CD2-CE2 4.02Å
11	S	93.8	Very high	84.7	Confident	84 Å²	84	78.7 Å²	78.7	59%	0.587	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.7	171.6	-171.4	0	0	0	0	109.1	L73	S11-L73 CarbonylContact C-O 3.57Å; S11-L73 WeakPolarHBondContact CA-O 3.41Å
12	L	95	Very high	86.3	Confident	23 Å²	23	73.6 Å²	73.6	12%	0.12	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.1	177.7	-63.8	175.5	0	0	0	109.7	L10 W29 F72 L73 Y86	L10-L12 HydrophobicContact CD1-CD2 3.99Å; L10-L12 HydrophobicContact CD1-CG 4.25Å; L10-L12 HydrophobicContact CD2-CD1 4.09Å; L10-L12 HydrophobicContact CD2-CG 4.19Å; L10-L12 HydrophobicContact CG-CD1 4.48Å; L10-L12 HydrophobicContact CG-CD2 4.32Å; L10-L12 HydrophobicContact CG-CG 4.04Å; L12-W29 HydrophobicContact CB-CH2 3.8Å; L12-W29 HydrophobicContact CB-CZ3 4.09Å; L12-W29 HydrophobicContact CD1-CZ3 4.24Å; L12-F72 VanDerWaalsContact O-CA 3.23Å; L12-F72 WeakPolarHBondContact O-CA 3.46Å; L12-L73 HydrophobicContact CB-CB 4.41Å; L12-L73 HydrophobicContact CD1-CD2 4.3Å; L12-L73 PolarHBondContact N-O 2.77Å; L12-L73 PolarHBondContact O-N 3.26Å; L12-Y86 HydrophobicContact CD1-CD1 3.75Å; L12-Y86 HydrophobicContact CD1-CD2 3.99Å; L12-Y86 HydrophobicContact CD1-CG 3.43Å; L12-Y86 VanDerWaalsContact CD1-CG 3.43Å
13	T	95.6	Very high	87.1	Confident	72 Å²	72	72.6 Å²	72.6	44%	0.442	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.5	176	-56.3	0	0	0	0	108.4	H70 F72	T13-H70 HydrophobicContact CG2-CB 4.18Å; T13-F72 HydrophobicContact CG2-CD1 3.92Å; T13-F72 HydrophobicContact CG2-CE1 3.53Å; T13-F72 HydrophobicContact CG2-CZ 4.34Å; T13-F72 VanDerWaalsContact OG1-CD1 3.29Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.24Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.35Å
14	C	94.1	Very high	87.7	Confident	13 Å²	13	65 Å²	65	9%	0.088	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.3	166	-175.3	0	0	0	0	108.5	W29 H70 F71 C88	C14-W29 HydrophobicContact CB-CH2 3.84Å; C14-W29 HydrophobicContact CB-CZ2 3.92Å; C14-H70 WeakPolarHBondContact O-CA 3.13Å; C14-F71 HydrophobicContact CB-CD1 4.08Å; C14-F71 HydrophobicContact CB-CD2 3.99Å; C14-F71 HydrophobicContact CB-CE1 3.67Å; C14-F71 HydrophobicContact CB-CE2 3.58Å; C14-F71 HydrophobicContact CB-CG 4.25Å; C14-F71 HydrophobicContact CB-CZ 3.45Å; C14-F71 VanDerWaalsContact CB-CZ 3.45Å; C14-F71 PolarHBondContact N-O 3.11Å; C14-F71 PolarHBondContact O-N 2.86Å; C14-F71 WeakPolarHBondContact SG-CE1 3.46Å; C14-F71 WeakPolarHBondContact SG-CZ 3.49Å; C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 2.73Å
15	T	94.7	Very high	88.4	Confident	77 Å²	77	65.9 Å²	65.9	47%	0.472	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.5	176.9	-62.7	0	0	0	0	108.8	T17 H70	T15-T17 HydrophobicContact CG2-CG2 4.21Å; T15-H70 VanDerWaalsContact CG2-NE2 3.29Å; T15-H70 WeakPolarHBondContact CG2-NE2 3.37Å; T15-H70 PolarHBondContact OG1-CD2 2.64Å; T15-H70 VanDerWaalsContact OG1-CD2 3.27Å; T15-H70 PolarHBondContact OG1-CE1 2.78Å; T15-H70 PolarHBondContact OG1-NE2 3.43Å
16	V	91.7	Very high	89.1	Confident	19 Å²	19	60.9 Å²	60.9	12%	0.115	39%	0.388	C	S	.	.			trans	-97.2	133.8	176.1	-178.5	0	0	0	0	108.6	Y19 I21 W27 N69 F71	V16-Y19 WeakPolarHBondContact CG1-O 3.26Å; V16-I21 HydrophobicContact CB-CG2 3.83Å; V16-I21 HydrophobicContact CG1-CG2 4.39Å; V16-I21 HydrophobicContact CG2-CG2 3.58Å; V16-W27 HydrophobicContact CB-CH2 4.22Å; V16-W27 HydrophobicContact CG1-CH2 3.66Å; V16-W27 HydrophobicContact CG1-CZ2 4.2Å; V16-W27 HydrophobicContact CG1-CZ3 4.46Å; V16-W27 HydrophobicContact CG2-CE3 4.23Å; V16-W27 HydrophobicContact CG2-CH2 3.5Å; V16-W27 VanDerWaalsContact CG2-CH2 3.5Å; V16-W27 HydrophobicContact CG2-CZ2 4.06Å; V16-W27 HydrophobicContact CG2-CZ3 3.59Å; V16-N69 WeakPolarHBondContact CB-ND2 3.23Å; V16-N69 PolarHBondContact N-O 2.84Å; V16-N69 VanDerWaalsContact N-O 3.11Å; V16-N69 PolarHBondContact O-ND2 2.76Å; V16-F71 HydrophobicContact CG2-CD1 4.27Å; V16-F71 HydrophobicContact CG2-CE1 3.72Å
17	T	91.6	Very high	90.1	Very high	122 Å²	122	57.7 Å²	57.7	75%	0.748	37%	0.365	S	S	*	.			trans	-124.4	142.7	179.8	55.6	0	0	0	0	110.2	T15 Y19	T15-T17 HydrophobicContact CG2-CG2 4.21Å; T17-Y19 PolarHBondContact O-N 3.05Å
18	G	88.9	Confident	90.9	Very high	90 Å²	90	54.1 Å²	54.1	93%	0.928	34%	0.337	S	S	*	.	S	Bend	trans	76.6	3.1	179	0	0	0	0	0	115
19	Y	85.1	Confident	91.4	Very high	89 Å²	89	49.7 Å²	49.7	35%	0.349	32%	0.316	S	S	.	.	S	Bend	trans	-157.9	146.6	-178.1	-162	-115.2	0	0	0	112.2	V16 T17 S23 Y25 N69	V16-Y19 WeakPolarHBondContact CG1-O 3.26Å; T17-Y19 PolarHBondContact O-N 3.05Å; Y19-S23 WeakPolarHBondContact CE1-OG 3.47Å; Y19-S23 VanDerWaalsContact CZ-CB 3.47Å; Y19-S23 WeakPolarHBondContact OH-CB 3.13Å; Y19-S23 PolarHBondContact OH-OG 2.62Å; Y19-S23 VanDerWaalsContact OH-OG 3.07Å; Y19-Y25 AromaticContact CE1-CD2 3.59Å; Y19-Y25 HydrophobicContact CE1-CD2 3.59Å; Y19-Y25 AromaticContact CE1-CE2 3.63Å; Y19-Y25 HydrophobicContact CE1-CE2 3.63Å; Y19-Y25 AromaticContact CZ-CE2 3.66Å; Y19-Y25 WeakPolarHBondContact OH-CE2 3.42Å; Y19-N69 PolarHBondContact O-ND2 3.48Å; Y19-N69 PolarHBondContact O-OD1 2.83Å
20	S	88.4	Confident	91.7	Very high	51 Å²	51	48.8 Å²	48.8	36%	0.357	31%	0.306	S	S	.	.			trans	-81.8	139.8	177.2	179.8	0	0	0	0	111.9	T22 S23 N69	S20-T22 PolarHBondContact O-N 2.9Å; S20-T22 PolarHBondContact OG-N 2.69Å; S20-T22 PolarHBondContact OG-OG1 2.7Å; S20-S23 WeakPolarHBondContact O-CB 3.41Å; S20-S23 PolarHBondContact O-OG 2.83Å; S20-N69 WeakPolarHBondContact CA-OD1 3.41Å
21	I	89.3	Confident	91.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-16	173.3	61.7	174.6	0	0	0	114	V16 W27 H64 T66 N69 H70 F71	V16-I21 HydrophobicContact CB-CG2 3.83Å; V16-I21 HydrophobicContact CG1-CG2 4.39Å; V16-I21 HydrophobicContact CG2-CG2 3.58Å; I21-W27 HydrophobicContact CB-CZ2 4.24Å; I21-W27 HydrophobicContact CG2-CD2 4.48Å; I21-W27 HydrophobicContact CG2-CZ2 3.85Å; I21-W27 PolarHBondContact O-NE1 3.07Å; I21-H64 HydrophobicContact CD1-CB 3.87Å; I21-T66 HydrophobicContact CD1-CG2 4.23Å; I21-T66 HydrophobicContact CG1-CG2 4.4Å; I21-N69 WeakPolarHBondContact CG2-OD1 3Å; I21-N69 PolarHBondContact N-OD1 3.04Å; I21-H70 WeakPolarHBondContact CD1-O 3.34Å; I21-F71 HydrophobicContact CG2-CD1 4.3Å
22	T	88.4	Confident	92	Very high	62 Å²	62	46.4 Å²	46.4	38%	0.38	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	9.5	-176.6	57.5	0	0	0	0	114.5	S20 G24 T66	S20-T22 PolarHBondContact O-N 2.9Å; S20-T22 PolarHBondContact OG-N 2.69Å; S20-T22 PolarHBondContact OG-OG1 2.7Å; T22-G24 VanDerWaalsContact C-N 3.26Å; T22-G24 PolarHBondContact O-N 3.41Å; T22-G24 VanDerWaalsContact O-N 3.16Å; T22-T66 HydrophobicContact CG2-CG2 3.34Å
23	S	86.8	Confident	92	Very high	44 Å²	44	46.9 Å²	46.9	31%	0.308	29%	0.285	S	S	.	.	S	Bend	trans	-85.5	23.8	-167.5	54.2	0	0	0	0	115.2	Y19 S20	Y19-S23 WeakPolarHBondContact CE1-OG 3.47Å; Y19-S23 VanDerWaalsContact CZ-CB 3.47Å; Y19-S23 WeakPolarHBondContact OH-CB 3.13Å; Y19-S23 PolarHBondContact OH-OG 2.62Å; Y19-S23 VanDerWaalsContact OH-OG 3.07Å; S20-S23 WeakPolarHBondContact O-CB 3.41Å; S20-S23 PolarHBondContact O-OG 2.83Å
24	G	84.9	Confident	91.8	Very high	40 Å²	40	49 Å²	49	41%	0.412	30%	0.3	S	S	.	.	S	Bend	trans	95.3	9.9	177.1	0	0	0	0	0	115.7	T22 Y46	T22-G24 VanDerWaalsContact C-N 3.26Å; T22-G24 PolarHBondContact O-N 3.41Å; T22-G24 VanDerWaalsContact O-N 3.16Å; G24-Y46 VanDerWaalsContact CA-CD1 3.47Å
25	Y	88.7	Confident	91.7	Very high	67 Å²	67	51.9 Å²	51.9	26%	0.263	33%	0.332	S	S	.	.			trans	-105.1	159.6	178.8	-66.5	-91.2	0	0	0	112.3	Y19 Y46 R90	Y19-Y25 AromaticContact CE1-CD2 3.59Å; Y19-Y25 HydrophobicContact CE1-CD2 3.59Å; Y19-Y25 AromaticContact CE1-CE2 3.63Å; Y19-Y25 HydrophobicContact CE1-CE2 3.63Å; Y19-Y25 AromaticContact CZ-CE2 3.66Å; Y19-Y25 WeakPolarHBondContact OH-CE2 3.42Å; Y25-Y46 PolarHBondContact O-N 2.91Å; Y25-R90 HydrophobicContact CD1-CG 3.72Å; Y25-R90 HydrophobicContact CG-CG 3.84Å
26	D	92.4	Very high	91.5	Very high	47 Å²	47	54.6 Å²	54.6	25%	0.251	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.1	168.7	-66.1	-20.6	0	0	0	110.4	Y43 S45 V91	D26-Y43 HydrophobicContact CB-CD2 4.17Å; D26-S45 WeakPolarHBondContact OD1-CA 3.43Å; D26-S45 WeakPolarHBondContact OD1-CB 3.25Å; D26-V91 PolarHBondContact N-O 2.57Å; D26-V91 PolarHBondContact O-N 3.42Å
27	W	94.4	Very high	91.6	Very high	17 Å²	17	60 Å²	60	6%	0.064	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.3	-179.5	-63.6	95.4	0	0	0	109.8	V16 I21 Y43 I44 F71 R90	V16-W27 HydrophobicContact CB-CH2 4.22Å; V16-W27 HydrophobicContact CG1-CH2 3.66Å; V16-W27 HydrophobicContact CG1-CZ2 4.2Å; V16-W27 HydrophobicContact CG1-CZ3 4.46Å; V16-W27 HydrophobicContact CG2-CE3 4.23Å; V16-W27 HydrophobicContact CG2-CH2 3.5Å; V16-W27 VanDerWaalsContact CG2-CH2 3.5Å; V16-W27 HydrophobicContact CG2-CZ2 4.06Å; V16-W27 HydrophobicContact CG2-CZ3 3.59Å; I21-W27 HydrophobicContact CB-CZ2 4.24Å; I21-W27 HydrophobicContact CG2-CD2 4.48Å; I21-W27 HydrophobicContact CG2-CZ2 3.85Å; I21-W27 PolarHBondContact O-NE1 3.07Å; W27-Y43 CarbonylContact O-C 3.48Å; W27-Y43 WeakPolarHBondContact O-CA 3.46Å; W27-Y43 WeakPolarHBondContact O-CB 3.49Å; W27-I44 HydrophobicContact CB-CG2 4.18Å; W27-I44 PolarHBondContact N-O 2.74Å; W27-I44 PolarHBondContact O-N 2.9Å; W27-F71 HydrophobicContact CB-CD1 4.23Å; W27-F71 HydrophobicContact CB-CD2 4.2Å; W27-F71 HydrophobicContact CB-CE1 4Å; W27-F71 HydrophobicContact CB-CE2 3.98Å; W27-F71 HydrophobicContact CB-CG 4.29Å; W27-F71 HydrophobicContact CB-CZ 3.82Å; W27-F71 HydrophobicContact CD2-CD1 4.2Å; W27-F71 AromaticContact CD2-CE1 3.6Å; W27-F71 HydrophobicContact CD2-CE1 3.6Å; W27-F71 AromaticContact CD2-CZ 4Å; W27-F71 HydrophobicContact CD2-CZ 4Å; W27-F71 HydrophobicContact CE3-CD1 4.32Å; W27-F71 AromaticContact CE3-CE1 3.31Å; W27-F71 HydrophobicContact CE3-CE1 3.31Å; W27-F71 AromaticContact CE3-CZ 3.48Å; W27-F71 HydrophobicContact CE3-CZ 3.48Å; W27-F71 VanDerWaalsContact CE3-CZ 3.48Å; W27-F71 HydrophobicContact CG-CD1 4.16Å; W27-F71 AromaticContact CG-CE1 3.91Å; W27-F71 HydrophobicContact CG-CE1 3.91Å; W27-F71 HydrophobicContact CG-CZ 4.16Å; W27-F71 AromaticContact CZ3-CE1 3.97Å; W27-F71 HydrophobicContact CZ3-CE1 3.97Å; W27-F71 HydrophobicContact CZ3-CZ 4.32Å; W27-R90 HydrophobicContact CE3-CB 3.99Å; W27-R90 HydrophobicContact CE3-CG 4.37Å; W27-R90 HydrophobicContact CH2-CB 3.98Å; W27-R90 HydrophobicContact CH2-CG 3.9Å; W27-R90 HydrophobicContact CZ2-CG 4.17Å; W27-R90 HydrophobicContact CZ3-CB 3.61Å; W27-R90 HydrophobicContact CZ3-CG 4.01Å
28	H	96	Very high	91.7	Very high	30 Å²	30	59.6 Å²	59.6	14%	0.139	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	145.3	-173.5	-68.2	-112.8	0	0	0	111.2	W40 G42 Y43 C88 A89	H28-W40 AromaticContact ND1-CD1 3.64Å; H28-W40 AromaticContact ND1-NE1 3.14Å; H28-W40 PolarHBondContact ND1-NE1 2.91Å; H28-W40 VanDerWaalsContact ND1-NE1 3.14Å; H28-G42 WeakPolarHBondContact CA-O 3.33Å; H28-Y43 AromaticContact CE1-CD1 3.8Å; H28-Y43 AromaticContact CE1-CG 3.87Å; H28-C88 CarbonylContact O-C 3.59Å; H28-C88 WeakPolarHBondContact O-CA 3.47Å; H28-A89 HydrophobicContact CB-CB 4.43Å; H28-A89 PolarHBondContact N-O 3.03Å; H28-A89 PolarHBondContact O-N 2.92Å
29	W	97.1	Very high	92.1	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.027	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.7	164.8	-75.4	101.4	0	0	0	110	L12 C14 M41 G42 F71 L73 C88	L12-W29 HydrophobicContact CB-CH2 3.8Å; L12-W29 HydrophobicContact CB-CZ3 4.09Å; L12-W29 HydrophobicContact CD1-CZ3 4.24Å; C14-W29 HydrophobicContact CB-CH2 3.84Å; C14-W29 HydrophobicContact CB-CZ2 3.92Å; W29-M41 HydrophobicContact CB-CB 4.17Å; W29-M41 WeakPolarHBondContact O-CB 3.49Å; W29-M41 PolarHBondContact O-N 3.31Å; W29-G42 PolarHBondContact N-O 3.35Å; W29-F71 HydrophobicContact CD2-CE2 4.47Å; W29-F71 AromaticContact CE2-CD2 3.71Å; W29-F71 AromaticContact CE2-CE2 3.75Å; W29-F71 AromaticContact CZ2-CD2 3.8Å; W29-F71 HydrophobicContact CZ2-CD2 3.8Å; W29-F71 AromaticContact CZ2-CE2 3.9Å; W29-F71 HydrophobicContact CZ2-CE2 3.9Å; W29-F71 AromaticContact NE1-CD2 3.41Å; W29-F71 AromaticContact NE1-CE2 3.74Å; W29-L73 HydrophobicContact CB-CD2 4.21Å; W29-L73 HydrophobicContact CD2-CB 3.63Å; W29-L73 HydrophobicContact CD2-CD2 3.94Å; W29-L73 HydrophobicContact CD2-CG 4.35Å; W29-L73 VanDerWaalsContact CE2-CB 3.43Å; W29-L73 HydrophobicContact CE3-CB 4.19Å; W29-L73 HydrophobicContact CE3-CD2 4Å; W29-L73 HydrophobicContact CG-CB 3.94Å; W29-L73 HydrophobicContact CG-CD1 4.44Å; W29-L73 HydrophobicContact CG-CD2 4.04Å; W29-L73 HydrophobicContact CG-CG 4.38Å; W29-L73 HydrophobicContact CH2-CB 4.36Å; W29-L73 HydrophobicContact CZ2-CB 3.83Å; W29-C88 HydrophobicContact CE3-CB 4.28Å; W29-C88 HydrophobicContact CH2-CB 4.27Å; W29-C88 HydrophobicContact CZ3-CB 4.12Å
30	I	96.9	Very high	92.7	Very high	45 Å²	45	57 Å²	57	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.2	-179.5	-55.8	169.8	0	0	0	107.3	L38 E39 Y87 A89	I30-L38 HydrophobicContact CG2-CB 4.39Å; I30-L38 HydrophobicContact CG2-CD2 4.01Å; I30-E39 WeakPolarHBondContact CA-O 3.45Å; I30-Y87 PolarHBondContact N-O 3.31Å; I30-Y87 PolarHBondContact O-N 3.3Å; I30-A89 HydrophobicContact CD1-CB 4.01Å
31	R	95.9	Very high	93.1	Very high	16 Å²	16	54.5 Å²	54.5	6%	0.06	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.3	169.6	64.2	-176.8	-178.8	170.1	9.8	110.5	F33 E39 M41 D82 A84 T85 Y86	R31-F33 HydrophobicContact CG-CE2 3.84Å; R31-F33 HydrophobicContact CG-CZ 3.95Å; R31-E39 HydrophobicContact CG-CB 3.94Å; R31-E39 IonicContact CZ-OE2 3.82Å; R31-E39 PolarHBondContact N-O 3.46Å; R31-E39 IonicContact NE-OE2 2.64Å; R31-E39 PolarHBondContact NE-OE2 3.14Å; R31-E39 IonicContact NH2-OE1 3.82Å; R31-E39 IonicContact NH2-OE2 2.69Å; R31-E39 PolarHBondContact NH2-OE2 2.92Å; R31-E39 PolarHBondContact O-N 3.1Å; R31-M41 HydrophobicContact CB-CG 4.39Å; R31-M41 HydrophobicContact CB-SD 3.9Å; R31-M41 HydrophobicContact CG-CG 4.01Å; R31-M41 HydrophobicContact CG-SD 4.02Å; R31-D82 IonicContact CZ-OD1 2.7Å; R31-D82 IonicContact NH1-OD1 3.67Å; R31-D82 PolarHBondContact NH1-OD1 3.13Å; R31-A84 HydrophobicContact CB-CB 3.87Å; R31-T85 CarbonylContact C-O 3.56Å; R31-T85 WeakPolarHBondContact CA-O 3.25Å; R31-Y86 HydrophobicContact CB-CD1 3.94Å; R31-Y86 HydrophobicContact CB-CE1 3.88Å
32	H	96.4	Very high	93.5	Very high	42 Å²	42	54.4 Å²	54.4	19%	0.194	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113.6	-176.7	-179.8	-153.3	0	0	0	109.3	N36 L38 A84 T85 Y87	H32-N36 WeakPolarHBondContact NE2-CA 3.48Å; H32-L38 HydrophobicContact CB-CD2 3.64Å; H32-A84 WeakPolarHBondContact O-CA 3.46Å; H32-A84 WeakPolarHBondContact O-CB 3.45Å; H32-T85 PolarHBondContact N-O 2.95Å; H32-T85 PolarHBondContact O-N 3.05Å; H32-Y87 HydrophobicContact CB-CD2 3.9Å; H32-Y87 HydrophobicContact CB-CE2 3.46Å; H32-Y87 VanDerWaalsContact CB-CE2 3.46Å; H32-Y87 AromaticContact CG-CE2 3.99Å; H32-Y87 AromaticContact ND1-CE2 3.76Å
33	F	95.1	Very high	93.9	Very high	32 Å²	32	54 Å²	54	14%	0.14	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	155.2	-179.7	-64.9	-75.8	0	0	0	111.7	R31 G35 N36 K37 E39 E81 T83 A84	R31-F33 HydrophobicContact CG-CE2 3.84Å; R31-F33 HydrophobicContact CG-CZ 3.95Å; F33-G35 PolarHBondContact O-N 3.27Å; F33-N36 PolarHBondContact O-N 3.06Å; F33-K37 HydrophobicContact CB-CB 4.27Å; F33-K37 HydrophobicContact CD2-CB 4.44Å; F33-K37 HydrophobicContact CD2-CD 4.35Å; F33-K37 HydrophobicContact CD2-CG 4.32Å; F33-K37 PolarHBondContact N-O 2.85Å; F33-E39 HydrophobicContact CE2-CB 4.02Å; F33-E39 WeakPolarHBondContact CE2-OE2 3.31Å; F33-E81 WeakPolarHBondContact CE1-O 3.29Å; F33-T83 WeakPolarHBondContact CD1-O 3.38Å; F33-A84 HydrophobicContact CD1-CB 3.79Å; F33-A84 HydrophobicContact CE1-CB 3.77Å; F33-A84 HydrophobicContact CG-CB 4.39Å; F33-A84 HydrophobicContact CZ-CB 4.39Å
34	P	91.8	Very high	94.3	Very high	116 Å²	116	52.2 Å²	52.2	75%	0.753	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	135.2	163.1	-23.3	33.8	0	0	0	110.5
35	G	92.5	Very high	94.6	Very high	74 Å²	74	50.7 Å²	50.7	76%	0.763	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	17.8	-175	0	0	0	0	0	115.2	F33 K37	F33-G35 PolarHBondContact O-N 3.27Å; G35-K37 VanDerWaalsContact C-N 3.27Å; G35-K37 PolarHBondContact O-N 2.9Å
36	N	88.9	Confident	94.7	Very high	135 Å²	135	53.1 Å²	53.1	72%	0.722	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	20.2	173.1	-59.7	-47.4	0	0	0	115.8	H32 F33	H32-N36 WeakPolarHBondContact NE2-CA 3.48Å; F33-N36 PolarHBondContact O-N 3.06Å
37	K	94	Very high	94.6	Very high	133 Å²	133	54.9 Å²	54.9	58%	0.578	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.4	173.2	-177.9	-177	177.7	-174	0	109.8	F33 G35	F33-K37 HydrophobicContact CB-CB 4.27Å; F33-K37 HydrophobicContact CD2-CB 4.44Å; F33-K37 HydrophobicContact CD2-CD 4.35Å; F33-K37 HydrophobicContact CD2-CG 4.32Å; F33-K37 PolarHBondContact N-O 2.85Å; G35-K37 VanDerWaalsContact C-N 3.27Å; G35-K37 PolarHBondContact O-N 2.9Å
38	L	95	Very high	94.4	Very high	113 Å²	113	55.5 Å²	55.5	59%	0.592	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	139	171.9	-66.2	170.3	0	0	0	110.1	I30 H32	I30-L38 HydrophobicContact CG2-CB 4.39Å; I30-L38 HydrophobicContact CG2-CD2 4.01Å; H32-L38 HydrophobicContact CB-CD2 3.64Å
39	E	96.6	Very high	94.3	Very high	39 Å²	39	57.3 Å²	57.3	18%	0.182	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.3	171.7	-175.3	173.2	-149.9	0	0	110.1	I30 R31 F33	I30-E39 WeakPolarHBondContact CA-O 3.45Å; R31-E39 HydrophobicContact CG-CB 3.94Å; R31-E39 IonicContact CZ-OE2 3.82Å; R31-E39 PolarHBondContact N-O 3.46Å; R31-E39 IonicContact NE-OE2 2.64Å; R31-E39 PolarHBondContact NE-OE2 3.14Å; R31-E39 IonicContact NH2-OE1 3.82Å; R31-E39 IonicContact NH2-OE2 2.69Å; R31-E39 PolarHBondContact NH2-OE2 2.92Å; R31-E39 PolarHBondContact O-N 3.1Å; F33-E39 HydrophobicContact CE2-CB 4.02Å; F33-E39 WeakPolarHBondContact CE2-OE2 3.31Å
40	W	97.1	Very high	94.2	Very high	84 Å²	84	59.5 Å²	59.5	32%	0.318	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.4	171.1	173.7	72	0	0	0	109.7	H28 G42 Y43 N51 N53	H28-W40 AromaticContact ND1-CD1 3.64Å; H28-W40 AromaticContact ND1-NE1 3.14Å; H28-W40 PolarHBondContact ND1-NE1 2.91Å; H28-W40 VanDerWaalsContact ND1-NE1 3.14Å; W40-G42 VanDerWaalsContact CE2-CA 3.42Å; W40-G42 VanDerWaalsContact CZ2-C 3.48Å; W40-G42 VanDerWaalsContact NE1-C 3.28Å; W40-G42 PolarHBondContact NE1-O 3.26Å; W40-Y43 AromaticContact CZ2-CD1 3.67Å; W40-Y43 HydrophobicContact CZ2-CD1 3.67Å; W40-Y43 HydrophobicContact CZ2-CE1 4.41Å; W40-N51 HydrophobicContact CH2-CB 4.36Å; W40-N53 HydrophobicContact CE3-CB 3.91Å; W40-N53 HydrophobicContact CZ3-CB 3.96Å; W40-N53 VanDerWaalsContact O-CB 3.31Å; W40-N53 WeakPolarHBondContact O-CB 3.07Å; W40-N53 PolarHBondContact O-ND2 2.04Å
41	M	97.1	Very high	94.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-41.8	-178.3	-58.7	-176.2	69.6	0	0	111.9	W29 R31 N53 L56 I60 L73 Y86	W29-M41 HydrophobicContact CB-CB 4.17Å; W29-M41 WeakPolarHBondContact O-CB 3.49Å; W29-M41 PolarHBondContact O-N 3.31Å; R31-M41 HydrophobicContact CB-CG 4.39Å; R31-M41 HydrophobicContact CB-SD 3.9Å; R31-M41 HydrophobicContact CG-CG 4.01Å; R31-M41 HydrophobicContact CG-SD 4.02Å; M41-N53 WeakPolarHBondContact O-CB 3.02Å; M41-N53 PolarHBondContact O-N 2.88Å; M41-L56 HydrophobicContact CB-CD1 4.12Å; M41-L56 HydrophobicContact CE-CD1 4.16Å; M41-L56 HydrophobicContact CG-CD1 3.91Å; M41-I60 HydrophobicContact CB-CD1 4.22Å; M41-I60 HydrophobicContact CE-CG2 3.89Å; M41-I60 WeakPolarHBondContact O-CD1 3.33Å; M41-L73 HydrophobicContact CE-CD1 4.25Å; M41-L73 HydrophobicContact CE-CD2 3.72Å; M41-L73 HydrophobicContact SD-CD2 3.71Å; M41-Y86 HydrophobicContact CE-CE1 3.91Å; M41-Y86 HydrophobicContact SD-CD1 3.73Å; M41-Y86 HydrophobicContact SD-CE1 3.61Å
42	G	97.2	Very high	94.2	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171	174	-174	0	0	0	0	0	111.5	H28 W29 W40 N51 I62	H28-G42 WeakPolarHBondContact CA-O 3.33Å; W29-G42 PolarHBondContact N-O 3.35Å; W40-G42 VanDerWaalsContact CE2-CA 3.42Å; W40-G42 VanDerWaalsContact CZ2-C 3.48Å; W40-G42 VanDerWaalsContact NE1-C 3.28Å; W40-G42 PolarHBondContact NE1-O 3.26Å; G42-N51 CarbonylContact C-O 3.51Å; G42-N51 WeakPolarHBondContact CA-O 3.38Å; G42-I62 VanDerWaalsContact C-CD1 3.46Å; G42-I62 VanDerWaalsContact CA-CD1 3.49Å
43	Y	96.3	Very high	94.3	Very high	53 Å²	53	61.7 Å²	61.7	21%	0.208	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.3	169.6	76.7	-100.9	0	0	0	111.6	D26 W27 H28 W40 T50 N51	D26-Y43 HydrophobicContact CB-CD2 4.17Å; W27-Y43 CarbonylContact O-C 3.48Å; W27-Y43 WeakPolarHBondContact O-CA 3.46Å; W27-Y43 WeakPolarHBondContact O-CB 3.49Å; H28-Y43 AromaticContact CE1-CD1 3.8Å; H28-Y43 AromaticContact CE1-CG 3.87Å; W40-Y43 AromaticContact CZ2-CD1 3.67Å; W40-Y43 HydrophobicContact CZ2-CD1 3.67Å; W40-Y43 HydrophobicContact CZ2-CE1 4.41Å; Y43-T50 VanDerWaalsContact O-CA 3.32Å; Y43-T50 WeakPolarHBondContact O-CA 3.32Å; Y43-N51 HydrophobicContact CD1-CB 3.86Å; Y43-N51 HydrophobicContact CE1-CB 3.3Å; Y43-N51 PolarHBondContact N-O 2.94Å; Y43-N51 PolarHBondContact O-N 2.83Å; Y43-N51 VanDerWaalsContact O-N 3.09Å
44	I	95.3	Very high	94.3	Very high	6 Å²	6	65.5 Å²	65.5	3%	0.031	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.6	163.7	-171.9	163.1	0	0	0	108.8	W27 S49 T50 I62 H64	W27-I44 HydrophobicContact CB-CG2 4.18Å; W27-I44 PolarHBondContact N-O 2.74Å; W27-I44 PolarHBondContact O-N 2.9Å; I44-S49 WeakPolarHBondContact CA-O 3.37Å; I44-T50 HydrophobicContact CB-CG2 3.92Å; I44-T50 HydrophobicContact CD1-CG2 3.83Å; I44-T50 HydrophobicContact CG1-CG2 3.71Å; I44-I62 HydrophobicContact CB-CG2 3.8Å; I44-I62 HydrophobicContact CG2-CG2 3.7Å; I44-H64 HydrophobicContact CD1-CB 4.24Å; I44-H64 WeakPolarHBondContact CD1-ND1 2.75Å
45	S	93.1	Very high	94.3	Very high	8 Å²	8	64.3 Å²	64.3	6%	0.056	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	164.3	176.7	65	0	0	0	0	111.6	D26 S47 G48 S49	D26-S45 WeakPolarHBondContact OD1-CA 3.43Å; D26-S45 WeakPolarHBondContact OD1-CB 3.25Å; S45-S47 PolarHBondContact O-N 2.86Å; S45-S47 VanDerWaalsContact O-N 3.13Å; S45-S47 PolarHBondContact OG-N 3.15Å; S45-S47 PolarHBondContact OG-OG 3.1Å; S45-G48 PolarHBondContact O-N 2.92Å; S45-S49 PolarHBondContact N-O 2.95Å; S45-S49 WeakPolarHBondContact OG-CB 3.2Å; S45-S49 PolarHBondContact OG-N 3.48Å; S45-S49 VanDerWaalsContact OG-N 3.08Å; S45-S49 PolarHBondContact OG-O 3.19Å; S45-S49 VanDerWaalsContact OG-O 3.14Å
46	Y	89	Confident	94.4	Very high	119 Å²	119	61 Å²	61	47%	0.467	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-29.8	172.1	74.4	-85.7	0	0	0	113.2	G24 Y25 G48	G24-Y46 VanDerWaalsContact CA-CD1 3.47Å; Y25-Y46 PolarHBondContact O-N 2.91Å; Y46-G48 VanDerWaalsContact C-N 3.28Å; Y46-G48 PolarHBondContact O-N 2.87Å
47	S	90.4	Very high	94.7	Very high	84 Å²	84	61 Å²	61	59%	0.587	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7	177.4	72.8	0	0	0	0	114	S45	S45-S47 PolarHBondContact O-N 2.86Å; S45-S47 VanDerWaalsContact O-N 3.13Å; S45-S47 PolarHBondContact OG-N 3.15Å; S45-S47 PolarHBondContact OG-OG 3.1Å
48	G	90.7	Very high	94.7	Very high	30 Å²	30	60 Å²	60	31%	0.309	34%	0.336	S	S	.	.	S	Bend	trans	87.8	-3.6	-175.5	0	0	0	0	0	114.6	S45 Y46 T50	S45-G48 PolarHBondContact O-N 2.92Å; Y46-G48 VanDerWaalsContact C-N 3.28Å; Y46-G48 PolarHBondContact O-N 2.87Å; G48-T50 PolarHBondContact O-N 2.94Å
49	S	93.4	Very high	94.7	Very high	67 Å²	67	57.3 Å²	57.3	47%	0.469	32%	0.317	S	S	.	.			trans	-62.4	134.7	171.4	-176.4	0	0	0	0	110.5	I44 S45	I44-S49 WeakPolarHBondContact CA-O 3.37Å; S45-S49 PolarHBondContact N-O 2.95Å; S45-S49 WeakPolarHBondContact OG-CB 3.2Å; S45-S49 PolarHBondContact OG-N 3.48Å; S45-S49 VanDerWaalsContact OG-N 3.08Å; S45-S49 PolarHBondContact OG-O 3.19Å; S45-S49 VanDerWaalsContact OG-O 3.14Å
50	T	95.8	Very high	94.7	Very high	54 Å²	54	56 Å²	56	33%	0.331	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.9	-178.2	53.1	0	0	0	0	111.3	Y43 I44 G48 Y52	Y43-T50 VanDerWaalsContact O-CA 3.32Å; Y43-T50 WeakPolarHBondContact O-CA 3.32Å; I44-T50 HydrophobicContact CB-CG2 3.92Å; I44-T50 HydrophobicContact CD1-CG2 3.83Å; I44-T50 HydrophobicContact CG1-CG2 3.71Å; G48-T50 PolarHBondContact O-N 2.94Å; T50-Y52 PolarHBondContact OG1-OH 2.82Å
51	N	96.4	Very high	94.7	Very high	82 Å²	82	54.3 Å²	54.3	44%	0.439	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.5	168.1	-157.3	-19.2	0	0	0	109.5	W40 G42 Y43	W40-N51 HydrophobicContact CH2-CB 4.36Å; G42-N51 CarbonylContact C-O 3.51Å; G42-N51 WeakPolarHBondContact CA-O 3.38Å; Y43-N51 HydrophobicContact CD1-CB 3.86Å; Y43-N51 HydrophobicContact CE1-CB 3.3Å; Y43-N51 PolarHBondContact N-O 2.94Å; Y43-N51 PolarHBondContact O-N 2.83Å; Y43-N51 VanDerWaalsContact O-N 3.09Å
52	Y	97.3	Very high	94.7	Very high	43 Å²	43	54.5 Å²	54.5	17%	0.169	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.9	-171.4	-57.9	-77.9	0	0	0	110	T50 P54 K57 I60 I62	T50-Y52 PolarHBondContact OG1-OH 2.82Å; Y52-P54 WeakPolarHBondContact O-CD 3.08Å; Y52-K57 HydrophobicContact CD2-CG 4.25Å; Y52-K57 HydrophobicContact CG-CG 4.32Å; Y52-I60 HydrophobicContact CD1-CD1 3.6Å; Y52-I60 HydrophobicContact CD1-CG1 3.61Å; Y52-I60 HydrophobicContact CE1-CD1 4.44Å; Y52-I60 HydrophobicContact CE1-CG1 4.16Å; Y52-I60 HydrophobicContact CG-CD1 4.41Å; Y52-I60 HydrophobicContact CG-CG1 4.45Å; Y52-I62 HydrophobicContact CD1-CD1 4.17Å; Y52-I62 HydrophobicContact CE1-CB 4.13Å; Y52-I62 HydrophobicContact CE1-CD1 4.03Å; Y52-I62 HydrophobicContact CE1-CG1 3.98Å
53	N	96.7	Very high	94.5	Very high	24 Å²	24	57.7 Å²	57.7	13%	0.128	33%	0.333	C	S	.	.			trans	-61.2	124.6	165.8	-177.8	-27.5	0	0	0	108.8	W40 M41 S55 L56 K57	W40-N53 HydrophobicContact CE3-CB 3.91Å; W40-N53 HydrophobicContact CZ3-CB 3.96Å; W40-N53 VanDerWaalsContact O-CB 3.31Å; W40-N53 WeakPolarHBondContact O-CB 3.07Å; W40-N53 PolarHBondContact O-ND2 2.04Å; M41-N53 WeakPolarHBondContact O-CB 3.02Å; M41-N53 PolarHBondContact O-N 2.88Å; N53-S55 PolarHBondContact O-N 3.02Å; N53-S55 VanDerWaalsContact O-N 3.1Å; N53-S55 WeakPolarHBondContact OD1-CB 3.39Å; N53-S55 PolarHBondContact OD1-N 3.35Å; N53-L56 HydrophobicContact CB-CB 4.44Å; N53-L56 HydrophobicContact CB-CD1 4.42Å; N53-L56 PolarHBondContact O-N 2.83Å; N53-K57 PolarHBondContact O-N 2.83Å
54	P	95.8	Very high	94.4	Very high	112 Å²	112	58 Å²	58	73%	0.727	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-36.9	-178.8	-29.1	35.5	0	0	0	113.8	Y52 L56	Y52-P54 WeakPolarHBondContact O-CD 3.08Å; P54-L56 PolarHBondContact O-N 2.97Å
55	S	92.9	Very high	94.2	Very high	91 Å²	91	59.3 Å²	59.3	64%	0.636	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-20	179.7	-55.4	0	0	0	0	113.9	N53	N53-S55 PolarHBondContact O-N 3.02Å; N53-S55 VanDerWaalsContact O-N 3.1Å; N53-S55 WeakPolarHBondContact OD1-CB 3.39Å; N53-S55 PolarHBondContact OD1-N 3.35Å
56	L	94.4	Very high	94.1	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.016	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-13.7	-175	-65.3	173.6	0	0	0	113.2	M41 N53 P54 S58 R59 I60	M41-L56 HydrophobicContact CB-CD1 4.12Å; M41-L56 HydrophobicContact CE-CD1 4.16Å; M41-L56 HydrophobicContact CG-CD1 3.91Å; N53-L56 HydrophobicContact CB-CB 4.44Å; N53-L56 HydrophobicContact CB-CD1 4.42Å; N53-L56 PolarHBondContact O-N 2.83Å; P54-L56 PolarHBondContact O-N 2.97Å; L56-S58 PolarHBondContact O-N 3.07Å; L56-R59 PolarHBondContact O-N 2.92Å; L56-I60 HydrophobicContact CB-CD1 3.84Å; L56-I60 HydrophobicContact CB-CG1 4.24Å; L56-I60 HydrophobicContact CB-CG2 4.07Å; L56-I60 WeakPolarHBondContact O-CG1 3.43Å; L56-I60 PolarHBondContact O-N 2.91Å
57	K	94.2	Very high	94.2	Very high	136 Å²	136	61.8 Å²	61.8	59%	0.591	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-32.6	-171.2	-174.5	174	-178.4	178.7	0	114.7	Y52 N53	Y52-K57 HydrophobicContact CD2-CG 4.25Å; Y52-K57 HydrophobicContact CG-CG 4.32Å; N53-K57 PolarHBondContact O-N 2.83Å
58	S	94.9	Very high	94.3	Very high	113 Å²	113	63.8 Å²	63.8	79%	0.79	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-19.2	178.2	59.7	0	0	0	0	113.9	L56	L56-S58 PolarHBondContact O-N 3.07Å
59	R	95.1	Very high	94.4	Very high	55 Å²	55	63.8 Å²	63.8	21%	0.208	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-22.3	-173.9	-58	-162	-62.7	138.9	1.2	113.5	L56 L75 N76 S77 D82	L56-R59 PolarHBondContact O-N 2.92Å; R59-L75 HydrophobicContact CB-CD1 3.94Å; R59-N76 PolarHBondContact O-N 2.83Å; R59-N76 PolarHBondContact O-ND2 2.69Å; R59-S77 PolarHBondContact NH1-O 2.95Å; R59-S77 VanDerWaalsContact NH1-O 3.15Å; R59-D82 IonicContact CZ-OD1 2.83Å; R59-D82 IonicContact CZ-OD2 3.59Å; R59-D82 IonicContact NH1-OD1 3.05Å; R59-D82 IonicContact NH1-OD2 2.74Å; R59-D82 PolarHBondContact NH1-OD2 3.49Å; R59-D82 IonicContact NH2-OD1 3.57Å; R59-D82 PolarHBondContact NH2-OD1 3.49Å; R59-D82 IonicContact NH2-OD2 3.52Å
60	I	96.2	Very high	94.4	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.062	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	150.1	-174.7	69.5	178.8	0	0	0	113.1	M41 Y52 L56 L73 K74 L75	M41-I60 HydrophobicContact CB-CD1 4.22Å; M41-I60 HydrophobicContact CE-CG2 3.89Å; M41-I60 WeakPolarHBondContact O-CD1 3.33Å; Y52-I60 HydrophobicContact CD1-CD1 3.6Å; Y52-I60 HydrophobicContact CD1-CG1 3.61Å; Y52-I60 HydrophobicContact CE1-CD1 4.44Å; Y52-I60 HydrophobicContact CE1-CG1 4.16Å; Y52-I60 HydrophobicContact CG-CD1 4.41Å; Y52-I60 HydrophobicContact CG-CG1 4.45Å; L56-I60 HydrophobicContact CB-CD1 3.84Å; L56-I60 HydrophobicContact CB-CG1 4.24Å; L56-I60 HydrophobicContact CB-CG2 4.07Å; L56-I60 WeakPolarHBondContact O-CG1 3.43Å; L56-I60 PolarHBondContact O-N 2.91Å; I60-L73 HydrophobicContact CB-CD1 4.09Å; I60-L73 HydrophobicContact CG2-CD1 4.34Å; I60-K74 CarbonylContact C-O 3.57Å; I60-K74 VanDerWaalsContact CA-O 3.24Å; I60-K74 WeakPolarHBondContact CA-O 3.01Å; I60-L75 HydrophobicContact CG2-CB 4.43Å; I60-L75 HydrophobicContact CG2-CD1 3.53Å
61	S	96.4	Very high	94.2	Very high	48 Å²	48	60 Å²	60	34%	0.336	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.3	169	176.7	0	0	0	0	108.7	K74	S61-K74 PolarHBondContact N-O 3.13Å; S61-K74 PolarHBondContact O-N 3.43Å
62	I	96.5	Very high	94.1	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.9	178.4	-60.9	168.2	0	0	0	107.7	G42 I44 Y52 F72 L73	G42-I62 VanDerWaalsContact C-CD1 3.46Å; G42-I62 VanDerWaalsContact CA-CD1 3.49Å; I44-I62 HydrophobicContact CB-CG2 3.8Å; I44-I62 HydrophobicContact CG2-CG2 3.7Å; Y52-I62 HydrophobicContact CD1-CD1 4.17Å; Y52-I62 HydrophobicContact CE1-CB 4.13Å; Y52-I62 HydrophobicContact CE1-CD1 4.03Å; Y52-I62 HydrophobicContact CE1-CG1 3.98Å; I62-F72 WeakPolarHBondContact CA-O 3.32Å; I62-L73 HydrophobicContact CG1-CD1 3.84Å
63	T	94.8	Very high	94.1	Very high	67 Å²	67	56.5 Å²	56.5	41%	0.411	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	165.5	-179.6	61.6	0	0	0	0	110.5	F71 F72	T63-F71 CarbonylContact O-C 3.52Å; T63-F71 VanDerWaalsContact O-CA 3.29Å; T63-F71 WeakPolarHBondContact O-CA 3.07Å; T63-F71 WeakPolarHBondContact O-CB 2.92Å; T63-F72 PolarHBondContact N-O 2.88Å; T63-F72 VanDerWaalsContact N-O 3.13Å; T63-F72 PolarHBondContact O-N 3.42Å
64	H	93	Very high	94.1	Very high	59 Å²	59	60.2 Å²	60.2	27%	0.273	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	156.7	171.8	60.7	-147.3	0	0	0	112.3	I21 I44 H70 F71	I21-H64 HydrophobicContact CD1-CB 3.87Å; I44-H64 HydrophobicContact CD1-CB 4.24Å; I44-H64 WeakPolarHBondContact CD1-ND1 2.75Å; H64-H70 CarbonylContact C-O 3.45Å; H64-H70 WeakPolarHBondContact CA-O 3.27Å; H64-F71 HydrophobicContact CB-CB 3.96Å
65	D	92.1	Very high	94.1	Very high	35 Å²	35	54.9 Å²	54.9	19%	0.187	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	100.7	167.2	-179.2	-11.7	0	0	0	107.5	S67 K68 N69 H70 F72	D65-S67 VanDerWaalsContact C-N 3.26Å; D65-S67 PolarHBondContact O-N 3.22Å; D65-S67 WeakPolarHBondContact OD1-CB 3.37Å; D65-S67 PolarHBondContact OD1-N 3.42Å; D65-S67 PolarHBondContact OD1-OG 3.03Å; D65-K68 HydrophobicContact CB-CB 4.46Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 2.96Å; D65-K68 WeakPolarHBondContact OD2-CD 3.27Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 2.73Å; D65-K68 PolarHBondContact OD2-NZ 2.84Å; D65-N69 PolarHBondContact O-N 3.09Å; D65-H70 PolarHBondContact N-O 3.14Å; D65-H70 PolarHBondContact O-N 2.85Å; D65-F72 HydrophobicContact CB-CE2 3.7Å; D65-F72 HydrophobicContact CB-CZ 4.26Å
66	T	90.3	Very high	94.1	Very high	78 Å²	78	53 Å²	53	48%	0.479	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.3	-177.4	57.3	0	0	0	0	112.4	I21 T22 K68 N69	I21-T66 HydrophobicContact CD1-CG2 4.23Å; I21-T66 HydrophobicContact CG1-CG2 4.4Å; T22-T66 HydrophobicContact CG2-CG2 3.34Å; T66-K68 VanDerWaalsContact C-N 3.31Å; T66-K68 PolarHBondContact O-N 2.83Å; T66-N69 PolarHBondContact O-N 2.85Å
67	S	90.4	Very high	94	Very high	101 Å²	101	56.3 Å²	56.3	71%	0.706	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.8	176.7	75.6	0	0	0	0	112.2	D65	D65-S67 VanDerWaalsContact C-N 3.26Å; D65-S67 PolarHBondContact O-N 3.22Å; D65-S67 WeakPolarHBondContact OD1-CB 3.37Å; D65-S67 PolarHBondContact OD1-N 3.42Å; D65-S67 PolarHBondContact OD1-OG 3.03Å
68	K	92.5	Very high	93.9	Very high	125 Å²	125	50.6 Å²	50.6	54%	0.543	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-4.1	178.1	-61.2	-167.4	-167.5	94.4	0	113.5	D65 T66 H70	D65-K68 HydrophobicContact CB-CB 4.46Å; D65-K68 PolarHBondContact O-N 2.82Å; D65-K68 PolarHBondContact OD1-N 2.96Å; D65-K68 WeakPolarHBondContact OD2-CD 3.27Å; D65-K68 WeakPolarHBondContact OD2-CG 3.48Å; D65-K68 IonicContact OD2-NZ 2.73Å; D65-K68 PolarHBondContact OD2-NZ 2.84Å; T66-K68 VanDerWaalsContact C-N 3.31Å; T66-K68 PolarHBondContact O-N 2.83Å; K68-H70 HydrophobicContact CB-CB 4.35Å; K68-H70 PolarHBondContact O-CD2 3.47Å; K68-H70 PolarHBondContact O-N 3.08Å; K68-H70 PolarHBondContact O-NE2 2.72Å
69	N	92.6	Very high	93.8	Very high	30 Å²	30	47.9 Å²	47.9	16%	0.16	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	38.5	-175.1	-154.3	43.7	0	0	0	112.9	V16 Y19 S20 I21 D65 T66	V16-N69 WeakPolarHBondContact CB-ND2 3.23Å; V16-N69 PolarHBondContact N-O 2.84Å; V16-N69 VanDerWaalsContact N-O 3.11Å; V16-N69 PolarHBondContact O-ND2 2.76Å; Y19-N69 PolarHBondContact O-ND2 3.48Å; Y19-N69 PolarHBondContact O-OD1 2.83Å; S20-N69 WeakPolarHBondContact CA-OD1 3.41Å; I21-N69 WeakPolarHBondContact CG2-OD1 3Å; I21-N69 PolarHBondContact N-OD1 3.04Å; D65-N69 PolarHBondContact O-N 3.09Å; T66-N69 PolarHBondContact O-N 2.85Å
70	H	94	Very high	93.5	Very high	42 Å²	42	50.7 Å²	50.7	19%	0.194	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	152	-177.2	-70.4	-176.5	0	0	0	110.8	T13 C14 T15 I21 H64 D65 K68 F72	T13-H70 HydrophobicContact CG2-CB 4.18Å; C14-H70 WeakPolarHBondContact O-CA 3.13Å; T15-H70 VanDerWaalsContact CG2-NE2 3.29Å; T15-H70 WeakPolarHBondContact CG2-NE2 3.37Å; T15-H70 PolarHBondContact OG1-CD2 2.64Å; T15-H70 VanDerWaalsContact OG1-CD2 3.27Å; T15-H70 PolarHBondContact OG1-CE1 2.78Å; T15-H70 PolarHBondContact OG1-NE2 3.43Å; I21-H70 WeakPolarHBondContact CD1-O 3.34Å; H64-H70 CarbonylContact C-O 3.45Å; H64-H70 WeakPolarHBondContact CA-O 3.27Å; D65-H70 PolarHBondContact N-O 3.14Å; D65-H70 PolarHBondContact O-N 2.85Å; K68-H70 HydrophobicContact CB-CB 4.35Å; K68-H70 PolarHBondContact O-CD2 3.47Å; K68-H70 PolarHBondContact O-N 3.08Å; K68-H70 PolarHBondContact O-NE2 2.72Å; H70-F72 HydrophobicContact CB-CE1 4.26Å; H70-F72 HydrophobicContact CB-CE2 3.9Å; H70-F72 HydrophobicContact CB-CZ 3.59Å
71	F	91.9	Very high	93.2	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	152.6	161	60.5	-84	0	0	0	111.1	C14 V16 I21 W27 W29 T63 H64 C88	C14-F71 HydrophobicContact CB-CD1 4.08Å; C14-F71 HydrophobicContact CB-CD2 3.99Å; C14-F71 HydrophobicContact CB-CE1 3.67Å; C14-F71 HydrophobicContact CB-CE2 3.58Å; C14-F71 HydrophobicContact CB-CG 4.25Å; C14-F71 HydrophobicContact CB-CZ 3.45Å; C14-F71 VanDerWaalsContact CB-CZ 3.45Å; C14-F71 PolarHBondContact N-O 3.11Å; C14-F71 PolarHBondContact O-N 2.86Å; C14-F71 WeakPolarHBondContact SG-CE1 3.46Å; C14-F71 WeakPolarHBondContact SG-CZ 3.49Å; V16-F71 HydrophobicContact CG2-CD1 4.27Å; V16-F71 HydrophobicContact CG2-CE1 3.72Å; I21-F71 HydrophobicContact CG2-CD1 4.3Å; W27-F71 HydrophobicContact CB-CD1 4.23Å; W27-F71 HydrophobicContact CB-CD2 4.2Å; W27-F71 HydrophobicContact CB-CE1 4Å; W27-F71 HydrophobicContact CB-CE2 3.98Å; W27-F71 HydrophobicContact CB-CG 4.29Å; W27-F71 HydrophobicContact CB-CZ 3.82Å; W27-F71 HydrophobicContact CD2-CD1 4.2Å; W27-F71 AromaticContact CD2-CE1 3.6Å; W27-F71 HydrophobicContact CD2-CE1 3.6Å; W27-F71 AromaticContact CD2-CZ 4Å; W27-F71 HydrophobicContact CD2-CZ 4Å; W27-F71 HydrophobicContact CE3-CD1 4.32Å; W27-F71 AromaticContact CE3-CE1 3.31Å; W27-F71 HydrophobicContact CE3-CE1 3.31Å; W27-F71 AromaticContact CE3-CZ 3.48Å; W27-F71 HydrophobicContact CE3-CZ 3.48Å; W27-F71 VanDerWaalsContact CE3-CZ 3.48Å; W27-F71 HydrophobicContact CG-CD1 4.16Å; W27-F71 AromaticContact CG-CE1 3.91Å; W27-F71 HydrophobicContact CG-CE1 3.91Å; W27-F71 HydrophobicContact CG-CZ 4.16Å; W27-F71 AromaticContact CZ3-CE1 3.97Å; W27-F71 HydrophobicContact CZ3-CE1 3.97Å; W27-F71 HydrophobicContact CZ3-CZ 4.32Å; W29-F71 HydrophobicContact CD2-CE2 4.47Å; W29-F71 AromaticContact CE2-CD2 3.71Å; W29-F71 AromaticContact CE2-CE2 3.75Å; W29-F71 AromaticContact CZ2-CD2 3.8Å; W29-F71 HydrophobicContact CZ2-CD2 3.8Å; W29-F71 AromaticContact CZ2-CE2 3.9Å; W29-F71 HydrophobicContact CZ2-CE2 3.9Å; W29-F71 AromaticContact NE1-CD2 3.41Å; W29-F71 AromaticContact NE1-CE2 3.74Å; T63-F71 CarbonylContact O-C 3.52Å; T63-F71 VanDerWaalsContact O-CA 3.29Å; T63-F71 WeakPolarHBondContact O-CA 3.07Å; T63-F71 WeakPolarHBondContact O-CB 2.92Å; H64-F71 HydrophobicContact CB-CB 3.96Å; F71-C88 HydrophobicContact CE2-CB 3.53Å; F71-C88 HydrophobicContact CZ-CB 3.44Å; F71-C88 VanDerWaalsContact CZ-CB 3.44Å
72	F	95.1	Very high	93	Very high	50 Å²	50	55.1 Å²	55.1	22%	0.219	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.4	-164.9	-52.3	-86.6	0	0	0	110.2	L12 T13 I62 T63 D65 H70	L12-F72 VanDerWaalsContact O-CA 3.23Å; L12-F72 WeakPolarHBondContact O-CA 3.46Å; T13-F72 HydrophobicContact CG2-CD1 3.92Å; T13-F72 HydrophobicContact CG2-CE1 3.53Å; T13-F72 HydrophobicContact CG2-CZ 4.34Å; T13-F72 VanDerWaalsContact OG1-CD1 3.29Å; T13-F72 WeakPolarHBondContact OG1-CD1 3.24Å; T13-F72 WeakPolarHBondContact OG1-CE1 3.35Å; I62-F72 WeakPolarHBondContact CA-O 3.32Å; T63-F72 PolarHBondContact N-O 2.88Å; T63-F72 VanDerWaalsContact N-O 3.13Å; T63-F72 PolarHBondContact O-N 3.42Å; D65-F72 HydrophobicContact CB-CE2 3.7Å; D65-F72 HydrophobicContact CB-CZ 4.26Å; H70-F72 HydrophobicContact CB-CE1 4.26Å; H70-F72 HydrophobicContact CB-CE2 3.9Å; H70-F72 HydrophobicContact CB-CZ 3.59Å
73	L	96.7	Very high	92.8	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.8	166	171.6	69	0	0	0	107.9	S11 L12 W29 M41 I60 I62 Y86	S11-L73 CarbonylContact C-O 3.57Å; S11-L73 WeakPolarHBondContact CA-O 3.41Å; L12-L73 HydrophobicContact CB-CB 4.41Å; L12-L73 HydrophobicContact CD1-CD2 4.3Å; L12-L73 PolarHBondContact N-O 2.77Å; L12-L73 PolarHBondContact O-N 3.26Å; W29-L73 HydrophobicContact CB-CD2 4.21Å; W29-L73 HydrophobicContact CD2-CB 3.63Å; W29-L73 HydrophobicContact CD2-CD2 3.94Å; W29-L73 HydrophobicContact CD2-CG 4.35Å; W29-L73 VanDerWaalsContact CE2-CB 3.43Å; W29-L73 HydrophobicContact CE3-CB 4.19Å; W29-L73 HydrophobicContact CE3-CD2 4Å; W29-L73 HydrophobicContact CG-CB 3.94Å; W29-L73 HydrophobicContact CG-CD1 4.44Å; W29-L73 HydrophobicContact CG-CD2 4.04Å; W29-L73 HydrophobicContact CG-CG 4.38Å; W29-L73 HydrophobicContact CH2-CB 4.36Å; W29-L73 HydrophobicContact CZ2-CB 3.83Å; M41-L73 HydrophobicContact CE-CD1 4.25Å; M41-L73 HydrophobicContact CE-CD2 3.72Å; M41-L73 HydrophobicContact SD-CD2 3.71Å; I60-L73 HydrophobicContact CB-CD1 4.09Å; I60-L73 HydrophobicContact CG2-CD1 4.34Å; I62-L73 HydrophobicContact CG1-CD1 3.84Å; L73-Y86 HydrophobicContact CD2-CD1 4.05Å; L73-Y86 HydrophobicContact CD2-CE1 4.38Å
74	K	95.9	Very high	92.8	Very high	101 Å²	101	57.5 Å²	57.5	44%	0.439	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.3	166.7	-171	179.1	-176.4	-176.1	0	108.6	L10 I60 S61 N76	L10-K74 CarbonylContact O-C 3.57Å; L10-K74 WeakPolarHBondContact O-CA 3.29Å; I60-K74 CarbonylContact C-O 3.57Å; I60-K74 VanDerWaalsContact CA-O 3.24Å; I60-K74 WeakPolarHBondContact CA-O 3.01Å; S61-K74 PolarHBondContact N-O 3.13Å; S61-K74 PolarHBondContact O-N 3.43Å; K74-N76 VanDerWaalsContact CE-OD1 3.25Å; K74-N76 WeakPolarHBondContact CE-OD1 3.38Å
75	L	95.4	Very high	92.9	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.6	172.7	172.2	65	0	0	0	108.4	S9 L10 R59 I60 V78 D82	S9-L75 CarbonylContact C-O 3.59Å; S9-L75 VanDerWaalsContact CA-O 3.27Å; S9-L75 WeakPolarHBondContact CA-O 3.43Å; L10-L75 HydrophobicContact CB-CB 4.42Å; L10-L75 PolarHBondContact N-O 3.46Å; L10-L75 PolarHBondContact O-N 3.27Å; R59-L75 HydrophobicContact CB-CD1 3.94Å; I60-L75 HydrophobicContact CG2-CB 4.43Å; I60-L75 HydrophobicContact CG2-CD1 3.53Å; L75-V78 HydrophobicContact CD2-CG2 4.14Å; L75-V78 HydrophobicContact CG-CG2 4.08Å; L75-D82 HydrophobicContact CD2-CB 3.95Å
76	N	94.4	Very high	93.1	Very high	52 Å²	52	58.6 Å²	58.6	28%	0.278	32%	0.324	S	S	.	.			trans	-91.4	153.6	179.3	-57.4	-43.9	0	0	0	110.9	S9 R59 K74 V78	S9-N76 PolarHBondContact OG-OD1 2.85Å; R59-N76 PolarHBondContact O-N 2.83Å; R59-N76 PolarHBondContact O-ND2 2.69Å; K74-N76 VanDerWaalsContact CE-OD1 3.25Å; K74-N76 WeakPolarHBondContact CE-OD1 3.38Å; N76-V78 PolarHBondContact O-N 3.02Å
77	S	91.8	Very high	93.3	Very high	73 Å²	73	60.3 Å²	60.3	51%	0.51	32%	0.323	S	S	.	.	S	Bend	trans	53.3	56.1	175.5	-53.9	0	0	0	0	112.2	Q8 R59	Q8-S77 PolarHBondContact O-N 2.88Å; R59-S77 PolarHBondContact NH1-O 2.95Å; R59-S77 VanDerWaalsContact NH1-O 3.15Å
78	V	92.4	Very high	93.5	Very high	15 Å²	15	58 Å²	58	9%	0.091	31%	0.306	C	S	.	.			trans	-63	134.1	-178.6	179.5	0	0	0	0	110	P6 S7 Q8 L10 L75 N76 D82	P6-V78 WeakPolarHBondContact CA-O 3.5Å; S7-V78 PolarHBondContact N-O 3.11Å; Q8-V78 WeakPolarHBondContact O-CG2 3.36Å; Q8-V78 PolarHBondContact O-N 3.36Å; Q8-V78 VanDerWaalsContact O-N 3.1Å; L10-V78 HydrophobicContact CB-CG2 3.73Å; L75-V78 HydrophobicContact CD2-CG2 4.14Å; L75-V78 HydrophobicContact CG-CG2 4.08Å; N76-V78 PolarHBondContact O-N 3.02Å; V78-D82 WeakPolarHBondContact CA-OD2 3.35Å; V78-D82 HydrophobicContact CG1-CB 3.97Å
79	T	91.9	Very high	93.6	Very high	57 Å²	57	53.5 Å²	53.5	35%	0.35	29%	0.292	S	S	.	.			trans	-115	173.8	174.9	70.1	0	0	0	0	110.9	E81 D82	T79-E81 PolarHBondContact O-N 3.23Å; T79-E81 PolarHBondContact OG1-N 2.8Å; T79-D82 PolarHBondContact N-OD2 2.9Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact OG1-OD2 3.46Å
80	T	89.6	Confident	93.6	Very high	113 Å²	113	58.2 Å²	58.2	69%	0.693	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-60.1	-30.9	173.1	46.6	0	0	0	0	112.3	D82 T83	T80-D82 PolarHBondContact O-N 3.03Å; T80-T83 VanDerWaalsContact O-CB 3.26Å; T80-T83 WeakPolarHBondContact O-CB 3.36Å; T80-T83 PolarHBondContact O-N 2.61Å; T80-T83 VanDerWaalsContact O-N 3.11Å; T80-T83 PolarHBondContact O-OG1 3.35Å
81	E	89.9	Confident	93.3	Very high	149 Å²	149	59.7 Å²	59.7	70%	0.696	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-67.2	-15.9	175.9	-59	179.4	173	0	0	113.2	F33 T79 T83	F33-E81 WeakPolarHBondContact CE1-O 3.29Å; T79-E81 PolarHBondContact O-N 3.23Å; T79-E81 PolarHBondContact OG1-N 2.8Å; E81-T83 VanDerWaalsContact C-N 3.27Å
82	D	91.8	Very high	92.4	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-88.7	5.5	175.4	-60.1	-47.6	0	0	0	112.1	R31 R59 L75 V78 T79 T80 A84 Y86	R31-D82 IonicContact CZ-OD1 2.7Å; R31-D82 IonicContact NH1-OD1 3.67Å; R31-D82 PolarHBondContact NH1-OD1 3.13Å; R59-D82 IonicContact CZ-OD1 2.83Å; R59-D82 IonicContact CZ-OD2 3.59Å; R59-D82 IonicContact NH1-OD1 3.05Å; R59-D82 IonicContact NH1-OD2 2.74Å; R59-D82 PolarHBondContact NH1-OD2 3.49Å; R59-D82 IonicContact NH2-OD1 3.57Å; R59-D82 PolarHBondContact NH2-OD1 3.49Å; R59-D82 IonicContact NH2-OD2 3.52Å; L75-D82 HydrophobicContact CD2-CB 3.95Å; V78-D82 WeakPolarHBondContact CA-OD2 3.35Å; V78-D82 HydrophobicContact CG1-CB 3.97Å; T79-D82 PolarHBondContact N-OD2 2.9Å; T79-D82 WeakPolarHBondContact O-CB 3.39Å; T79-D82 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact OG1-OD2 3.46Å; T80-D82 PolarHBondContact O-N 3.03Å; D82-A84 PolarHBondContact O-N 3.49Å; D82-Y86 PolarHBondContact O-OH 3.16Å
83	T	92.4	Very high	92.2	Very high	98 Å²	98	66 Å²	66	60%	0.601	39%	0.385	S	S	*	.			trans	-71.1	101.5	176.2	-53.3	0	0	0	0	110.2	F33 T80 E81	F33-T83 WeakPolarHBondContact CD1-O 3.38Å; T80-T83 VanDerWaalsContact O-CB 3.26Å; T80-T83 WeakPolarHBondContact O-CB 3.36Å; T80-T83 PolarHBondContact O-N 2.61Å; T80-T83 VanDerWaalsContact O-N 3.11Å; T80-T83 PolarHBondContact O-OG1 3.35Å; E81-T83 VanDerWaalsContact C-N 3.27Å
84	A	94.6	Very high	92	Very high	23 Å²	23	69.4 Å²	69.4	19%	0.19	41%	0.405	C	S	.	.	S	Bend	trans	-151.7	165.3	-176.5	0	0	0	0	0	110.8	R31 H32 F33 D82 Y86	R31-A84 HydrophobicContact CB-CB 3.87Å; H32-A84 WeakPolarHBondContact O-CA 3.46Å; H32-A84 WeakPolarHBondContact O-CB 3.45Å; F33-A84 HydrophobicContact CD1-CB 3.79Å; F33-A84 HydrophobicContact CE1-CB 3.77Å; F33-A84 HydrophobicContact CG-CB 4.39Å; F33-A84 HydrophobicContact CZ-CB 4.39Å; D82-A84 PolarHBondContact O-N 3.49Å; A84-Y86 HydrophobicContact CB-CE2 4.12Å; A84-Y86 VanDerWaalsContact O-CD2 3.25Å; A84-Y86 WeakPolarHBondContact O-CD2 3.38Å; A84-Y86 WeakPolarHBondContact O-CE2 3.29Å
85	T	95.1	Very high	91.8	Very high	75 Å²	75	67.7 Å²	67.7	46%	0.46	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	129.9	161.5	-55.2	0	0	0	0	108.7	R31 H32 Y87	R31-T85 CarbonylContact C-O 3.56Å; R31-T85 WeakPolarHBondContact CA-O 3.25Å; H32-T85 PolarHBondContact N-O 2.95Å; H32-T85 PolarHBondContact O-N 3.05Å; T85-Y87 HydrophobicContact CG2-CD2 4.38Å; T85-Y87 HydrophobicContact CG2-CE1 3.85Å; T85-Y87 HydrophobicContact CG2-CE2 3.69Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.39Å
86	Y	95.6	Very high	91.6	Very high	42 Å²	42	71.6 Å²	71.6	17%	0.165	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126	-178.5	-68.1	-99	0	0	0	109.7	L10 L12 R31 M41 L73 D82 A84	L10-Y86 HydrophobicContact CD2-CD2 4.49Å; L10-Y86 HydrophobicContact CD2-CE2 4.02Å; L12-Y86 HydrophobicContact CD1-CD1 3.75Å; L12-Y86 HydrophobicContact CD1-CD2 3.99Å; L12-Y86 HydrophobicContact CD1-CG 3.43Å; L12-Y86 VanDerWaalsContact CD1-CG 3.43Å; R31-Y86 HydrophobicContact CB-CD1 3.94Å; R31-Y86 HydrophobicContact CB-CE1 3.88Å; M41-Y86 HydrophobicContact CE-CE1 3.91Å; M41-Y86 HydrophobicContact SD-CD1 3.73Å; M41-Y86 HydrophobicContact SD-CE1 3.61Å; L73-Y86 HydrophobicContact CD2-CD1 4.05Å; L73-Y86 HydrophobicContact CD2-CE1 4.38Å; D82-Y86 PolarHBondContact O-OH 3.16Å; A84-Y86 HydrophobicContact CB-CE2 4.12Å; A84-Y86 VanDerWaalsContact O-CD2 3.25Å; A84-Y86 WeakPolarHBondContact O-CD2 3.38Å; A84-Y86 WeakPolarHBondContact O-CE2 3.29Å
87	Y	95.4	Very high	91.4	Very high	114 Å²	114	72.9 Å²	72.9	45%	0.447	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	143.5	179	-62.2	-74	0	0	0	110.3	I30 H32 T85	I30-Y87 PolarHBondContact N-O 3.31Å; I30-Y87 PolarHBondContact O-N 3.3Å; H32-Y87 HydrophobicContact CB-CD2 3.9Å; H32-Y87 HydrophobicContact CB-CE2 3.46Å; H32-Y87 VanDerWaalsContact CB-CE2 3.46Å; H32-Y87 AromaticContact CG-CE2 3.99Å; H32-Y87 AromaticContact ND1-CE2 3.76Å; T85-Y87 HydrophobicContact CG2-CD2 4.38Å; T85-Y87 HydrophobicContact CG2-CE1 3.85Å; T85-Y87 HydrophobicContact CG2-CE2 3.69Å; T85-Y87 WeakPolarHBondContact CG2-OH 3.39Å
88	C	94.1	Very high	91.3	Very high	53 Å²	53	72.9 Å²	72.9	36%	0.358	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137.1	163.4	56.3	0	0	0	0	109.6	C14 H28 W29 F71	C14-C88 HydrophobicContact CB-CB 3.49Å; C14-C88 VanDerWaalsContact CB-CB 3.49Å; C14-C88 WeakPolarHBondContact CB-SG 3.38Å; C14-C88 WeakPolarHBondContact SG-CB 3.38Å; C14-C88 CovalentContact SG-SG 2.04Å; C14-C88 PolarHBondContact SG-SG 2.73Å; H28-C88 CarbonylContact O-C 3.59Å; H28-C88 WeakPolarHBondContact O-CA 3.47Å; W29-C88 HydrophobicContact CE3-CB 4.28Å; W29-C88 HydrophobicContact CH2-CB 4.27Å; W29-C88 HydrophobicContact CZ3-CB 4.12Å; F71-C88 HydrophobicContact CE2-CB 3.53Å; F71-C88 HydrophobicContact CZ-CB 3.44Å; F71-C88 VanDerWaalsContact CZ-CB 3.44Å
89	A	94.2	Very high	91.3	Very high	30 Å²	30	77 Å²	77	25%	0.248	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.6	-176.4	0	0	0	0	0	111	H28 I30	H28-A89 HydrophobicContact CB-CB 4.43Å; H28-A89 PolarHBondContact N-O 3.03Å; H28-A89 PolarHBondContact O-N 2.92Å; I30-A89 HydrophobicContact CD1-CB 4.01Å
90	R	92.8	Very high	91.2	Very high	129 Å²	129	78.5 Å²	78.5	49%	0.487	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.6	172.7	-173	-179.1	65.4	149.7	-0.3	109.2	Y25 W27	Y25-R90 HydrophobicContact CD1-CG 3.72Å; Y25-R90 HydrophobicContact CG-CG 3.84Å; W27-R90 HydrophobicContact CE3-CB 3.99Å; W27-R90 HydrophobicContact CE3-CG 4.37Å; W27-R90 HydrophobicContact CH2-CB 3.98Å; W27-R90 HydrophobicContact CH2-CG 3.9Å; W27-R90 HydrophobicContact CZ2-CG 4.17Å; W27-R90 HydrophobicContact CZ3-CB 3.61Å; W27-R90 HydrophobicContact CZ3-CG 4.01Å
91	V	88.8	Confident	91.4	Very high	74 Å²	74	75.7 Å²	75.7	45%	0.448	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.8	174.7	-176.3	0	0	0	0	108.5	D26	D26-V91 PolarHBondContact N-O 2.57Å; D26-V91 PolarHBondContact O-N 3.42Å
92	G	71.8	Confident	91.5	Very high	117 Å²	117	69 Å²	69	100%	1.206	42%	0.421	S	S	*	.			trans	-161.7	0	177.3	0	0	0	0	0	111.5

Retrieved 92 of 92 residues in 21 ms (Link to these results)

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