X5J5S9_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5S9, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 90 aa.

						>X5J5S9_MOUSE|X5J5S9
AELARPGASVKLSCKASGYTFTSYGISWVKQRTGQGLEWIGEIYPRSGNTFYNEKLKGKATLTADKSSSTAYMELRSLTSEDSAVYFCAR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	A	64.1	Low	86.1	Confident	153 Å²	153	101.7 Å²	101.7	100%	1.264	61%	0.605	S	S	*	*				0	134.1	0	0	0	0	0	0	107.4
2	E	75	Confident	86.9	Confident	127 Å²	127	95.8 Å²	95.8	59%	0.593	57%	0.568	S	S	*	*			trans	-105.4	125	-179.6	-163.1	147.8	-175.7	0	0	109.2	V10	E2-V10 HydrophobicContact CB-CG2 4.31Å; E2-V10 HydrophobicContact CG-CG2 3.53Å; E2-V10 VanDerWaalsContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å
3	L	80.4	Confident	87.7	Confident	172 Å²	172	94.9 Å²	94.9	90%	0.901	57%	0.57	S	S	*	*			trans	-112.6	118.9	-178.8	-70	169.6	0	0	0	107.9
4	A	85.7	Confident	88.4	Confident	51 Å²	51	89.4 Å²	89.4	42%	0.421	54%	0.538	S	S	.	.			trans	-122.6	147.7	-179.5	0	0	0	0	0	110.2	A8 L78	A4-A8 HydrophobicContact CB-CB 4.35Å; A4-L78 HydrophobicContact CB-CD1 3.49Å; A4-L78 VanDerWaalsContact CB-CD1 3.49Å
5	R	86.5	Confident	89	Confident	211 Å²	211	94.3 Å²	94.3	80%	0.796	55%	0.549	S	S	*	.			trans	-72.9	150.5	173.7	-62.6	-177.9	-175.3	-169.8	1.3	109.6	G7 A8	R5-G7 PolarHBondContact O-N 3.37Å; R5-A8 WeakPolarHBondContact O-CB 3.47Å; R5-A8 PolarHBondContact O-N 2.94Å
6	P	88.1	Confident	89.4	Confident	116 Å²	116	89.2 Å²	89.2	75%	0.753	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	139	169.4	-25	34.3	0	0	0	111.3	A8 L78	P6-A8 PolarHBondContact O-N 3.24Å; P6-L78 CarbonylContact C-O 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.36Å
7	G	89.4	Confident	89.7	Confident	55 Å²	55	89.8 Å²	89.8	57%	0.567	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-11.7	-176.2	0	0	0	0	0	115.2	R5 L78	R5-G7 PolarHBondContact O-N 3.37Å; G7-L78 PolarHBondContact N-O 3.48Å
8	A	93.2	Very high	90	Very high	36 Å²	36	89.5 Å²	89.5	30%	0.298	55%	0.55	S	S	.	*			trans	-72.4	167.6	174.5	0	0	0	0	0	111.7	A4 R5 P6 S77 L78	A4-A8 HydrophobicContact CB-CB 4.35Å; R5-A8 WeakPolarHBondContact O-CB 3.47Å; R5-A8 PolarHBondContact O-N 2.94Å; P6-A8 PolarHBondContact O-N 3.24Å; A8-S77 PolarHBondContact O-N 2.93Å; A8-L78 WeakPolarHBondContact O-CB 3.33Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.49Å; A8-L78 PolarHBondContact O-N 3.03Å
9	S	93.8	Very high	90.2	Very high	66 Å²	66	87.6 Å²	87.6	46%	0.462	53%	0.533	S	S	.	.			trans	-108.2	146.9	168.9	-57.9	0	0	0	0	109.9	L75	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 3.34Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å
10	V	94.6	Very high	90.4	Very high	17 Å²	17	87.7 Å²	87.7	10%	0.103	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.5	175.3	69.3	0	0	0	0	109.9	E2 L12 E74 L75 L78	E2-V10 HydrophobicContact CB-CG2 4.31Å; E2-V10 HydrophobicContact CG-CG2 3.53Å; E2-V10 VanDerWaalsContact OE1-CG2 3.3Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; V10-L12 HydrophobicContact CG2-CD2 4.25Å; V10-E74 CarbonylContact O-C 3.57Å; V10-E74 WeakPolarHBondContact O-CA 3.4Å; V10-L75 HydrophobicContact CG1-CB 3.94Å; V10-L75 HydrophobicContact CG1-CD1 4.17Å; V10-L75 PolarHBondContact N-O 2.96Å; V10-L75 PolarHBondContact O-N 3.19Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.23Å; V10-L78 HydrophobicContact CG1-CG 4.47Å
11	K	95.9	Very high	90.7	Very high	115 Å²	115	83.9 Å²	83.9	50%	0.5	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	106.6	177.5	-173.3	178.8	-178.9	179.9	0	110.2	Y72	K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.41Å
12	L	96.3	Very high	92.3	Very high	31 Å²	31	78.9 Å²	78.9	16%	0.162	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	147	175.2	-56.7	-179.5	0	0	0	110.2	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.25Å; L12-W28 HydrophobicContact CB-CH2 4.18Å; L12-W28 HydrophobicContact CB-CZ3 4Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L12-M73 HydrophobicContact CD1-CE 3.69Å; L12-M73 PolarHBondContact N-O 3.33Å; L12-M73 PolarHBondContact O-N 3.48Å; L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å
13	S	97.3	Very high	93.3	Very high	84 Å²	84	76.3 Å²	76.3	59%	0.587	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.9	177.4	66.3	0	0	0	0	111.1	A71	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.5Å
14	C	97.3	Very high	93.9	Very high	18 Å²	18	73.5 Å²	73.5	12%	0.122	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	102.4	177.8	177.6	0	0	0	0	108.9	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.83Å; C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; C14-A71 HydrophobicContact CB-CB 4.4Å; C14-A71 PolarHBondContact N-O 3.17Å; C14-A71 PolarHBondContact O-N 2.83Å; C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 2.74Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.94Å
15	K	97.2	Very high	94.5	Very high	162 Å²	162	71.4 Å²	71.4	70%	0.704	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.5	-180	-171	174.3	-175.7	176.8	0	110.2	T70	K15-T70 HydrophobicContact CB-CG2 4.49Å
16	A	95.6	Very high	95	Very high	13 Å²	13	61.4 Å²	61.4	11%	0.107	38%	0.383	C	S	.	.			trans	-79.6	147.8	175.9	0	0	0	0	0	111.4	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.75Å; A16-Y19 HydrophobicContact CB-CE2 4.33Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; A16-F21 HydrophobicContact CB-CB 4.4Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 3.95Å; A16-F21 HydrophobicContact CB-CG 4.22Å; A16-S69 WeakPolarHBondContact CB-O 3.46Å; A16-S69 PolarHBondContact N-O 2.84Å
17	S	94.8	Very high	95.5	Very high	100 Å²	100	57 Å²	57	70%	0.699	36%	0.355	S	S	*	.			trans	-150.8	154.1	172.6	62	0	0	0	0	110.7	Y19	S17-Y19 WeakPolarHBondContact O-CD1 2.8Å
18	G	94.8	Very high	95.9	Very high	84 Å²	84	54.7 Å²	54.7	87%	0.866	33%	0.329	S	S	*	.	S	Bend	trans	80.4	12.8	177	0	0	0	0	0	115.7
19	Y	93	Very high	96.1	Very high	54 Å²	54	54 Å²	54	21%	0.212	32%	0.322	C	S	.	.	S	Bend	trans	-161.5	166.9	174.3	64.4	-80.4	0	0	0	112.1	A16 S17 F21 Y24 I26	A16-Y19 HydrophobicContact CB-CE1 3.75Å; A16-Y19 HydrophobicContact CB-CE2 4.33Å; A16-Y19 VanDerWaalsContact CB-OH 3.23Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; S17-Y19 WeakPolarHBondContact O-CD1 2.8Å; Y19-F21 PolarHBondContact O-N 2.87Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; Y19-Y24 AromaticContact CD2-CD2 3.49Å; Y19-Y24 HydrophobicContact CD2-CD2 3.49Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.49Å; Y19-Y24 AromaticContact CD2-CE2 3.89Å; Y19-Y24 HydrophobicContact CD2-CE2 3.89Å; Y19-Y24 HydrophobicContact CD2-CG 4.46Å; Y19-Y24 AromaticContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CG 4.43Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-I26 WeakPolarHBondContact OH-CD1 3.47Å
20	T	95.9	Very high	96.1	Very high	89 Å²	89	51.2 Å²	51.2	55%	0.546	30%	0.301	S	S	.	.			trans	-69.9	101.6	171.5	-54.8	0	0	0	0	109.9	T22 S23	T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T20-S23 WeakPolarHBondContact CB-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 2.97Å; T20-S23 WeakPolarHBondContact O-CB 2.93Å; T20-S23 PolarHBondContact O-N 2.8Å
21	F	96.3	Very high	96.1	Very high	7 Å²	7	54.1 Å²	54.1	3%	0.031	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-51.5	-36.2	-175.1	177.3	-120.6	0	0	0	114	A16 Y19 S23 I26 P45 A64 A71	A16-F21 HydrophobicContact CB-CB 4.4Å; A16-F21 HydrophobicContact CB-CD2 3.37Å; A16-F21 HydrophobicContact CB-CE2 3.95Å; A16-F21 HydrophobicContact CB-CG 4.22Å; Y19-F21 PolarHBondContact O-N 2.87Å; Y19-F21 VanDerWaalsContact O-N 3.08Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 2.9Å; F21-I26 HydrophobicContact CD2-CD1 4.32Å; F21-I26 HydrophobicContact CD2-CG1 4.5Å; F21-I26 HydrophobicContact CE2-CD1 3.99Å; F21-I26 HydrophobicContact CE2-CG1 3.76Å; F21-I26 HydrophobicContact CZ-CG1 4.42Å; F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD1-CG 4.19Å; F21-P45 HydrophobicContact CD2-CG 4.34Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 3.77Å; F21-P45 HydrophobicContact CE2-CG 3.95Å; F21-P45 HydrophobicContact CG-CG 4.48Å; F21-P45 HydrophobicContact CZ-CB 3.93Å; F21-P45 HydrophobicContact CZ-CG 3.63Å; F21-A64 HydrophobicContact CE1-CB 4.16Å; F21-A64 HydrophobicContact CZ-CB 4.17Å; F21-A71 HydrophobicContact CE2-CB 4.36Å; F21-A71 HydrophobicContact CZ-CB 4.07Å
22	T	96.8	Very high	96	Very high	48 Å²	48	51.3 Å²	51.3	29%	0.294	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-75.4	-9.5	-179.6	52.9	0	0	0	0	114.3	T20 R46 K66	T20-T22 PolarHBondContact O-N 2.82Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T22-R46 VanDerWaalsContact O-CB 3.26Å; T22-R46 WeakPolarHBondContact O-CB 3.22Å; T22-K66 HydrophobicContact CG2-CD 4.5Å; T22-K66 HydrophobicContact CG2-CG 4.13Å
23	S	95.8	Very high	95.6	Very high	74 Å²	74	57.1 Å²	57.1	52%	0.517	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-84	-10.5	-177.9	-63.1	0	0	0	0	114.5	T20 F21	T20-S23 WeakPolarHBondContact CB-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 2.97Å; T20-S23 WeakPolarHBondContact O-CB 2.93Å; T20-S23 PolarHBondContact O-N 2.8Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 2.9Å
24	Y	94.6	Very high	95.3	Very high	112 Å²	112	57.3 Å²	57.3	44%	0.439	35%	0.352	S	S	.	.	S	Bend	trans	-131.2	149.1	-173.1	-62.3	-88.5	0	0	0	111.8	Y19 P45	Y19-Y24 AromaticContact CD2-CD2 3.49Å; Y19-Y24 HydrophobicContact CD2-CD2 3.49Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.49Å; Y19-Y24 AromaticContact CD2-CE2 3.89Å; Y19-Y24 HydrophobicContact CD2-CE2 3.89Å; Y19-Y24 HydrophobicContact CD2-CG 4.46Å; Y19-Y24 AromaticContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CD2 3.83Å; Y19-Y24 HydrophobicContact CE2-CG 4.43Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y24-P45 WeakPolarHBondContact O-CD 2.97Å
25	G	96.7	Very high	94.9	Very high	7 Å²	7	61.3 Å²	61.3	7%	0.072	37%	0.369	C	S	.	.			trans	-69.4	145.4	164	0	0	0	0	0	110.3	I43	G25-I43 WeakPolarHBondContact CA-O 3.15Å
26	I	98	Very high	94.6	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.1	173.1	-51.9	-62.1	0	0	0	107.7	Y19 F21 E42 I43 P45 A71 C88 A89 R90	Y19-I26 WeakPolarHBondContact OH-CD1 3.47Å; F21-I26 HydrophobicContact CD2-CD1 4.32Å; F21-I26 HydrophobicContact CD2-CG1 4.5Å; F21-I26 HydrophobicContact CE2-CD1 3.99Å; F21-I26 HydrophobicContact CE2-CG1 3.76Å; F21-I26 HydrophobicContact CZ-CG1 4.42Å; I26-E42 WeakPolarHBondContact O-CA 3.3Å; I26-I43 HydrophobicContact CB-CG2 4.13Å; I26-I43 PolarHBondContact N-O 3.14Å; I26-I43 PolarHBondContact O-N 3.4Å; I26-P45 HydrophobicContact CG1-CG 4Å; I26-A71 HydrophobicContact CB-CB 4.22Å; I26-A71 HydrophobicContact CG1-CB 4.33Å; I26-A71 HydrophobicContact CG2-CB 3.89Å; I26-C88 HydrophobicContact CG2-CB 4.25Å; I26-A89 CarbonylContact C-O 3.6Å; I26-A89 WeakPolarHBondContact CA-O 3.48Å; I26-R90 HydrophobicContact CD1-CB 4.15Å
27	S	97.9	Very high	94.5	Very high	23 Å²	23	61.4 Å²	61.4	16%	0.161	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.9	177.1	-82.4	0	0	0	0	111.2	W39 G41 E42 C88 A89	S27-W39 PolarHBondContact OG-NE1 3.05Å; S27-G41 WeakPolarHBondContact CA-O 3.29Å; S27-E42 PolarHBondContact OG-OE1 2.77Å; S27-C88 CarbonylContact O-C 3.52Å; S27-C88 VanDerWaalsContact O-CA 3.3Å; S27-C88 WeakPolarHBondContact O-CA 3.4Å; S27-A89 PolarHBondContact N-O 3.45Å; S27-A89 PolarHBondContact O-N 3.31Å
28	W	97.9	Very high	94.5	Very high	6 Å²	6	58.4 Å²	58.4	2%	0.023	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.1	173.6	-69.9	87.5	0	0	0	109.8	L12 C14 I40 G41 L62 A71 M73 F87 C88	L12-W28 HydrophobicContact CB-CH2 4.18Å; L12-W28 HydrophobicContact CB-CZ3 4Å; C14-W28 HydrophobicContact CB-CH2 3.69Å; C14-W28 HydrophobicContact CB-CZ2 3.83Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.47Å; W28-I40 PolarHBondContact O-N 2.88Å; W28-G41 PolarHBondContact N-O 2.86Å; W28-L62 HydrophobicContact CG-CD2 4.02Å; W28-A71 HydrophobicContact CZ2-CB 4.14Å; W28-M73 HydrophobicContact CB-SD 4.06Å; W28-M73 HydrophobicContact CD2-CB 3.74Å; W28-M73 HydrophobicContact CD2-CE 4.46Å; W28-M73 HydrophobicContact CD2-SD 4.22Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.87Å; W28-M73 HydrophobicContact CE3-SD 4.22Å; W28-M73 HydrophobicContact CG-CB 4.32Å; W28-M73 HydrophobicContact CG-SD 4.18Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.97Å; W28-M73 HydrophobicContact CZ3-CB 4.03Å; W28-M73 HydrophobicContact CZ3-CE 4.38Å; W28-F87 WeakPolarHBondContact CA-O 3.31Å; W28-C88 HydrophobicContact CD2-CB 4.36Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
29	V	96.8	Very high	94.6	Very high	22 Å²	22	59 Å²	59	13%	0.133	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	140.2	-175	-173.7	0	0	0	0	108.6	L37 E38 Y86 F87	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; V29-E38 WeakPolarHBondContact CG1-O 3.41Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; V29-F87 PolarHBondContact N-O 2.88Å; V29-F87 PolarHBondContact O-N 3.27Å
30	K	94.8	Very high	94.7	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.035	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	148.3	169.6	66.3	179.9	-172.6	175	0	111.5	E38 I40 A84 V85 Y86	K30-E38 WeakPolarHBondContact CE-OE2 3.36Å; K30-E38 HydrophobicContact CG-CB 3.95Å; K30-E38 PolarHBondContact N-O 3.04Å; K30-E38 IonicContact NZ-OE2 2.74Å; K30-E38 PolarHBondContact NZ-OE2 3.4Å; K30-E38 PolarHBondContact O-N 2.74Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.43Å; K30-I40 HydrophobicContact CG-CD1 4.3Å; K30-I40 HydrophobicContact CG-CG1 4.25Å; K30-A84 HydrophobicContact CB-CB 4.12Å; K30-V85 CarbonylContact C-O 3.54Å; K30-V85 WeakPolarHBondContact CA-O 3.45Å; K30-Y86 HydrophobicContact CB-CD1 3.71Å; K30-Y86 HydrophobicContact CB-CE1 3.58Å; K30-Y86 HydrophobicContact CB-CG 4.47Å; K30-Y86 HydrophobicContact CD-CE1 4.18Å; K30-Y86 HydrophobicContact CG-CE1 4.47Å
31	Q	95	Very high	94.8	Very high	78 Å²	78	52.2 Å²	52.2	36%	0.364	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.1	174.8	-166.9	179.3	24.9	0	0	109.5	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.98Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 WeakPolarHBondContact O-CB 2.96Å; Q31-V85 PolarHBondContact N-O 3.49Å; Q31-V85 PolarHBondContact O-N 3Å; Q31-F87 HydrophobicContact CB-CD2 4.48Å; Q31-F87 HydrophobicContact CB-CE2 3.84Å
32	R	92.9	Very high	94.9	Very high	56 Å²	56	53.5 Å²	53.5	21%	0.211	31%	0.31	C	S	.	.			trans	-92.5	145.2	171.2	-76.8	-177.9	-92.7	-174.3	-3.8	109.5	G34 Q35 E38 A84	R32-G34 PolarHBondContact O-N 2.58Å; R32-Q35 HydrophobicContact CB-CB 3.98Å; R32-Q35 HydrophobicContact CB-CG 4.12Å; R32-Q35 VanDerWaalsContact CZ-OE1 3.31Å; R32-Q35 PolarHBondContact O-N 3.24Å; R32-E38 IonicContact CZ-OE2 3.89Å; R32-E38 IonicContact NH2-OE2 2.87Å; R32-E38 PolarHBondContact NH2-OE2 3.39Å; R32-A84 HydrophobicContact CG-CB 3.86Å
33	T	89.1	Confident	94.9	Very high	152 Å²	152	51.5 Å²	51.5	93%	0.933	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	125.6	176.3	-51.4	0	0	0	0	110	Q35	T33-Q35 PolarHBondContact O-N 2.02Å
34	G	89.8	Confident	95	Very high	88 Å²	88	52.2 Å²	52.2	91%	0.907	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	2.5	-177.2	0	0	0	0	0	115.3	R32	R32-G34 PolarHBondContact O-N 2.58Å
35	Q	89.4	Confident	95.2	Very high	102 Å²	102	47 Å²	47	48%	0.477	27%	0.269	S	S	.	.	S	Bend	trans	-115.9	159.6	172.9	-59.9	-175.3	-0.3	0	0	111	R32 T33	R32-Q35 HydrophobicContact CB-CB 3.98Å; R32-Q35 HydrophobicContact CB-CG 4.12Å; R32-Q35 VanDerWaalsContact CZ-OE1 3.31Å; R32-Q35 PolarHBondContact O-N 3.24Å; T33-Q35 PolarHBondContact O-N 2.02Å
36	G	91.3	Very high	95.2	Very high	58 Å²	58	55.8 Å²	55.8	60%	0.598	30%	0.3	S	S	*	.			trans	-69.2	177.6	173.5	0	0	0	0	0	113.2	E38	G36-E38 PolarHBondContact O-N 3.44Å
37	L	93.9	Very high	95.1	Very high	120 Å²	120	59 Å²	59	63%	0.628	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	127.8	170.3	-67.1	176	0	0	0	110	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.31Å; Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.98Å
38	E	94.4	Very high	95	Very high	37 Å²	37	60 Å²	60	17%	0.173	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.3	175.5	-174.4	174.8	-174.8	0	0	109.1	V29 K30 R32 G36	V29-E38 WeakPolarHBondContact CA-O 3.42Å; V29-E38 WeakPolarHBondContact CG1-O 3.41Å; K30-E38 WeakPolarHBondContact CE-OE2 3.36Å; K30-E38 HydrophobicContact CG-CB 3.95Å; K30-E38 PolarHBondContact N-O 3.04Å; K30-E38 IonicContact NZ-OE2 2.74Å; K30-E38 PolarHBondContact NZ-OE2 3.4Å; K30-E38 PolarHBondContact O-N 2.74Å; R32-E38 IonicContact CZ-OE2 3.89Å; R32-E38 IonicContact NH2-OE2 2.87Å; R32-E38 PolarHBondContact NH2-OE2 3.39Å; G36-E38 PolarHBondContact O-N 3.44Å
39	W	95.8	Very high	95	Very high	95 Å²	95	64 Å²	64	36%	0.36	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	132.2	176	-178.3	83.4	0	0	0	110.4	S27 G41 E42 F51 Y52 N53	S27-W39 PolarHBondContact OG-NE1 3.05Å; W39-G41 PolarHBondContact NE1-O 2.92Å; W39-E42 HydrophobicContact CZ2-CB 3.79Å; W39-F51 HydrophobicContact CH2-CB 4.04Å; W39-F51 HydrophobicContact CZ2-CB 4.44Å; W39-Y52 VanDerWaalsContact CZ3-C 3.45Å; W39-N53 HydrophobicContact CE3-CB 3.91Å; W39-N53 HydrophobicContact CZ3-CB 4.11Å; W39-N53 VanDerWaalsContact CZ3-N 3.29Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.49Å; W39-N53 PolarHBondContact O-ND2 3.33Å
40	I	96.6	Very high	95	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-46.6	-176.7	-54.1	177.4	0	0	0	110.3	W28 K30 N53 L56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.34Å; W28-I40 WeakPolarHBondContact O-CB 3.47Å; W28-I40 PolarHBondContact O-N 2.88Å; K30-I40 HydrophobicContact CB-CD1 4.02Å; K30-I40 HydrophobicContact CB-CG1 4.43Å; K30-I40 HydrophobicContact CG-CD1 4.3Å; K30-I40 HydrophobicContact CG-CG1 4.25Å; I40-N53 WeakPolarHBondContact O-CB 3.35Å; I40-N53 PolarHBondContact O-N 2.93Å; I40-L56 HydrophobicContact CB-CD1 4.13Å; I40-L56 HydrophobicContact CG1-CD1 3.92Å; I40-L56 HydrophobicContact CG2-CB 4.15Å; I40-L56 HydrophobicContact CG2-CD1 4.04Å; I40-A60 HydrophobicContact CG2-CB 3.73Å; I40-M73 HydrophobicContact CD1-CE 3.84Å; I40-M73 HydrophobicContact CD1-SD 3.67Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.69Å
41	G	97.3	Very high	95.1	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	174	-173	0	0	0	0	0	111.9	S27 W28 W39 F51	S27-G41 WeakPolarHBondContact CA-O 3.29Å; W28-G41 PolarHBondContact N-O 2.86Å; W39-G41 PolarHBondContact NE1-O 2.92Å; G41-F51 CarbonylContact C-O 3.38Å; G41-F51 WeakPolarHBondContact CA-O 3.21Å
42	E	97.8	Very high	95.1	Very high	35 Å²	35	68.7 Å²	68.7	16%	0.164	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	142.4	179.3	177.7	171.3	-124.4	0	0	109.8	I26 S27 W39 Y44 T50 F51	I26-E42 WeakPolarHBondContact O-CA 3.3Å; S27-E42 PolarHBondContact OG-OE1 2.77Å; W39-E42 HydrophobicContact CZ2-CB 3.79Å; E42-Y44 HydrophobicContact CG-CD2 4.36Å; E42-Y44 HydrophobicContact CG-CE2 3.91Å; E42-Y44 WeakPolarHBondContact OE2-CE2 3.29Å; E42-Y44 VanDerWaalsContact OE2-CZ 3.3Å; E42-Y44 PolarHBondContact OE2-OH 3.37Å; E42-T50 CarbonylContact O-C 3.57Å; E42-T50 VanDerWaalsContact O-CA 3.28Å; E42-T50 WeakPolarHBondContact O-CA 3.38Å; E42-F51 PolarHBondContact N-O 2.86Å; E42-F51 PolarHBondContact O-N 2.8Å
43	I	98.2	Very high	95.2	Very high	5 Å²	5	68 Å²	68	3%	0.026	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.8	170.6	-176.3	165.6	0	0	0	110.4	G25 I26 P45 N49 T50 L62 T63 A64 A71	G25-I43 WeakPolarHBondContact CA-O 3.15Å; I26-I43 HydrophobicContact CB-CG2 4.13Å; I26-I43 PolarHBondContact N-O 3.14Å; I26-I43 PolarHBondContact O-N 3.4Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.23Å; I43-N49 WeakPolarHBondContact CA-O 3.36Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 3.95Å; I43-T50 HydrophobicContact CG1-CG2 3.93Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CD1-CB 4.46Å; I43-L62 HydrophobicContact CG2-CB 4.5Å; I43-T63 VanDerWaalsContact CD1-C 3.41Å; I43-A64 HydrophobicContact CD1-CB 3.76Å; I43-A64 HydrophobicContact CG1-CB 4.38Å; I43-A71 HydrophobicContact CG2-CB 4.45Å
44	Y	97.9	Very high	95.3	Very high	89 Å²	89	67.3 Å²	67.3	35%	0.349	37%	0.366	S	S	.	.			trans	-92.1	104.5	170.6	-74.2	-94.6	0	0	0	109	E42 R46 S47 G48 N49 F51	E42-Y44 HydrophobicContact CG-CD2 4.36Å; E42-Y44 HydrophobicContact CG-CE2 3.91Å; E42-Y44 WeakPolarHBondContact OE2-CE2 3.29Å; E42-Y44 VanDerWaalsContact OE2-CZ 3.3Å; E42-Y44 PolarHBondContact OE2-OH 3.37Å; Y44-R46 PolarHBondContact O-N 3Å; Y44-R46 VanDerWaalsContact O-N 3.13Å; Y44-S47 WeakPolarHBondContact CB-OG 3.49Å; Y44-S47 PolarHBondContact O-N 3.39Å; Y44-G48 WeakPolarHBondContact O-CA 3.19Å; Y44-G48 PolarHBondContact O-N 2.81Å; Y44-N49 PolarHBondContact N-O 3.44Å; Y44-F51 AromaticContact CD2-CD2 3.99Å; Y44-F51 HydrophobicContact CD2-CD2 3.99Å; Y44-F51 AromaticContact CD2-CE2 3.68Å; Y44-F51 HydrophobicContact CD2-CE2 3.68Å; Y44-F51 AromaticContact CE2-CD2 3.74Å; Y44-F51 HydrophobicContact CE2-CD2 3.74Å; Y44-F51 AromaticContact CE2-CE2 3.52Å; Y44-F51 HydrophobicContact CE2-CE2 3.52Å
45	P	97.4	Very high	95.1	Very high	3 Å²	3	71.3 Å²	71.3	2%	0.019	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.9	-171.8	-23	35.5	0	0	0	112.8	F21 Y24 I26 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.86Å; F21-P45 HydrophobicContact CD1-CG 4.19Å; F21-P45 HydrophobicContact CD2-CG 4.34Å; F21-P45 HydrophobicContact CE1-CB 3.52Å; F21-P45 HydrophobicContact CE1-CG 3.77Å; F21-P45 HydrophobicContact CE2-CG 3.95Å; F21-P45 HydrophobicContact CG-CG 4.48Å; F21-P45 HydrophobicContact CZ-CB 3.93Å; F21-P45 HydrophobicContact CZ-CG 3.63Å; Y24-P45 WeakPolarHBondContact O-CD 2.97Å; I26-P45 HydrophobicContact CG1-CG 4Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 3.23Å; P45-A64 HydrophobicContact CB-CB 4.01Å; P45-A64 HydrophobicContact CG-CB 4.36Å; P45-K66 WeakPolarHBondContact O-CE 3.16Å
46	R	96.6	Very high	95	Very high	192 Å²	192	67 Å²	67	73%	0.725	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-55.2	177.5	-177.6	171	-175.6	172.3	0.5	112.7	T22 Y44 K66	T22-R46 VanDerWaalsContact O-CB 3.26Å; T22-R46 WeakPolarHBondContact O-CB 3.22Å; Y44-R46 PolarHBondContact O-N 3Å; Y44-R46 VanDerWaalsContact O-N 3.13Å; R46-K66 PolarHBondContact O-NZ 2.86Å
47	S	96.7	Very high	94.6	Very high	68 Å²	68	69.5 Å²	69.5	48%	0.476	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-23.9	-176	53.9	0	0	0	0	113.4	Y44 N49	Y44-S47 WeakPolarHBondContact CB-OG 3.49Å; Y44-S47 PolarHBondContact O-N 3.39Å; S47-N49 WeakPolarHBondContact OG-CB 3.5Å; S47-N49 PolarHBondContact OG-N 2.81Å
48	G	95.6	Very high	94.3	Very high	45 Å²	45	67.9 Å²	67.9	46%	0.464	35%	0.345	S	S	.	.			trans	78.3	4.6	-168.7	0	0	0	0	0	113.4	Y44 T50	Y44-G48 WeakPolarHBondContact O-CA 3.19Å; Y44-G48 PolarHBondContact O-N 2.81Å; G48-T50 PolarHBondContact O-N 3.37Å
49	N	97	Very high	94.2	Very high	91 Å²	91	68.2 Å²	68.2	49%	0.487	35%	0.346	S	S	.	.			trans	-65.6	134.1	178.5	-68.6	-6.5	0	0	0	110.1	I43 Y44 S47 F51	I43-N49 WeakPolarHBondContact CA-O 3.36Å; Y44-N49 PolarHBondContact N-O 3.44Å; S47-N49 WeakPolarHBondContact OG-CB 3.5Å; S47-N49 PolarHBondContact OG-N 2.81Å; N49-F51 HydrophobicContact CB-CE2 4.27Å
50	T	97.4	Very high	94.2	Very high	54 Å²	54	63.8 Å²	63.8	33%	0.331	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	133.9	178.2	55.1	0	0	0	0	110.7	E42 I43 G48 Y52 L62	E42-T50 CarbonylContact O-C 3.57Å; E42-T50 VanDerWaalsContact O-CA 3.28Å; E42-T50 WeakPolarHBondContact O-CA 3.38Å; I43-T50 HydrophobicContact CB-CG2 4.15Å; I43-T50 HydrophobicContact CD1-CG2 3.95Å; I43-T50 HydrophobicContact CG1-CG2 3.93Å; G48-T50 PolarHBondContact O-N 3.37Å; T50-Y52 HydrophobicContact CG2-CE2 4.49Å; T50-Y52 VanDerWaalsContact OG1-CE2 3.31Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; T50-L62 HydrophobicContact CG2-CB 4.03Å
51	F	96.5	Very high	94.2	Very high	106 Å²	106	66.1 Å²	66.1	47%	0.465	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143.8	171.3	-59.8	-88.3	0	0	0	108.4	W39 G41 E42 Y44 N49	W39-F51 HydrophobicContact CH2-CB 4.04Å; W39-F51 HydrophobicContact CZ2-CB 4.44Å; G41-F51 CarbonylContact C-O 3.38Å; G41-F51 WeakPolarHBondContact CA-O 3.21Å; E42-F51 PolarHBondContact N-O 2.86Å; E42-F51 PolarHBondContact O-N 2.8Å; Y44-F51 AromaticContact CD2-CD2 3.99Å; Y44-F51 HydrophobicContact CD2-CD2 3.99Å; Y44-F51 AromaticContact CD2-CE2 3.68Å; Y44-F51 HydrophobicContact CD2-CE2 3.68Å; Y44-F51 AromaticContact CE2-CD2 3.74Å; Y44-F51 HydrophobicContact CE2-CD2 3.74Å; Y44-F51 AromaticContact CE2-CE2 3.52Å; Y44-F51 HydrophobicContact CE2-CE2 3.52Å; N49-F51 HydrophobicContact CB-CE2 4.27Å
52	Y	96.6	Very high	94.2	Very high	46 Å²	46	66.5 Å²	66.5	18%	0.18	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.6	-176.5	-67.5	-88.4	0	0	0	110.5	W39 T50 K57 A60 L62	W39-Y52 VanDerWaalsContact CZ3-C 3.45Å; T50-Y52 HydrophobicContact CG2-CE2 4.49Å; T50-Y52 VanDerWaalsContact OG1-CE2 3.31Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.49Å; Y52-K57 HydrophobicContact CD2-CG 4.21Å; Y52-K57 HydrophobicContact CG-CB 4.28Å; Y52-K57 HydrophobicContact CG-CG 4.09Å; Y52-A60 HydrophobicContact CE1-CB 4.47Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.44Å; Y52-L62 HydrophobicContact CE1-CB 4.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.08Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.01Å
53	N	94.1	Very high	94.2	Very high	40 Å²	40	67.8 Å²	67.8	21%	0.214	36%	0.357	C	S	.	.			trans	-69.2	127	156.6	-175	-27.8	0	0	0	108	W39 I40 K55 L56 K57	W39-N53 HydrophobicContact CE3-CB 3.91Å; W39-N53 HydrophobicContact CZ3-CB 4.11Å; W39-N53 VanDerWaalsContact CZ3-N 3.29Å; W39-N53 VanDerWaalsContact O-CB 3.29Å; W39-N53 WeakPolarHBondContact O-CB 3.49Å; W39-N53 PolarHBondContact O-ND2 3.33Å; I40-N53 WeakPolarHBondContact O-CB 3.35Å; I40-N53 PolarHBondContact O-N 2.93Å; N53-K55 PolarHBondContact O-N 3.03Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-L56 PolarHBondContact O-N 3.06Å; N53-K57 PolarHBondContact O-N 2.86Å
54	E	90.4	Very high	94.2	Very high	138 Å²	138	69.2 Å²	69.2	65%	0.645	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-29	-177.3	-70.7	-60.7	145.4	0	0	112.7	L56 K57	E54-L56 VanDerWaalsContact C-N 3.25Å; E54-L56 PolarHBondContact O-N 3.12Å; E54-K57 IonicContact OE1-NZ 3.05Å; E54-K57 PolarHBondContact OE1-NZ 3.31Å; E54-K57 VanDerWaalsContact OE1-NZ 3.07Å; E54-K57 IonicContact OE2-NZ 2.79Å
55	K	86.9	Confident	94.2	Very high	173 Å²	173	67.6 Å²	67.6	75%	0.752	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-24.3	175.2	-64.7	-177	-179.6	179.3	0	114.1	N53	N53-K55 PolarHBondContact O-N 3.03Å; N53-K55 PolarHBondContact OD1-N 2.85Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56	L	85.7	Confident	94.1	Very high	12 Å²	12	73 Å²	73	6%	0.063	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-6.1	-169.4	-66.3	168.4	0	0	0	113.6	I40 N53 E54 G58 K59 A60	I40-L56 HydrophobicContact CB-CD1 4.13Å; I40-L56 HydrophobicContact CG1-CD1 3.92Å; I40-L56 HydrophobicContact CG2-CB 4.15Å; I40-L56 HydrophobicContact CG2-CD1 4.04Å; N53-L56 PolarHBondContact O-N 3.06Å; E54-L56 VanDerWaalsContact C-N 3.25Å; E54-L56 PolarHBondContact O-N 3.12Å; L56-G58 PolarHBondContact O-N 2.87Å; L56-K59 PolarHBondContact O-N 2.85Å; L56-A60 PolarHBondContact O-N 2.78Å
57	K	84.4	Confident	94.1	Very high	110 Å²	110	69 Å²	69	48%	0.478	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-31.9	179.6	-170.1	176.2	-172.9	174.3	0	114.4	Y52 N53 E54	Y52-K57 HydrophobicContact CD2-CG 4.21Å; Y52-K57 HydrophobicContact CG-CB 4.28Å; Y52-K57 HydrophobicContact CG-CG 4.09Å; N53-K57 PolarHBondContact O-N 2.86Å; E54-K57 IonicContact OE1-NZ 3.05Å; E54-K57 PolarHBondContact OE1-NZ 3.31Å; E54-K57 VanDerWaalsContact OE1-NZ 3.07Å; E54-K57 IonicContact OE2-NZ 2.79Å
58	G	87.6	Confident	94.1	Very high	85 Å²	85	67.5 Å²	67.5	88%	0.876	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-11	176.7	0	0	0	0	0	114.7	L56	L56-G58 PolarHBondContact O-N 2.87Å
59	K	91.8	Very high	94.2	Very high	45 Å²	45	67.3 Å²	67.3	20%	0.196	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-35.2	-170.5	-159.8	169	-164.3	176	0	113.1	L56 L75 R76 T79 D82	L56-K59 PolarHBondContact O-N 2.85Å; K59-L75 WeakPolarHBondContact O-CA 2.96Å; K59-R76 WeakPolarHBondContact CG-O 3.46Å; K59-R76 PolarHBondContact O-N 3.29Å; K59-T79 PolarHBondContact NZ-OG1 3.09Å; K59-D82 VanDerWaalsContact CE-CG 3.43Å; K59-D82 WeakPolarHBondContact CE-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 3.07Å; K59-D82 PolarHBondContact NZ-OD1 3.05Å; K59-D82 IonicContact NZ-OD2 3.37Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å
60	A	95.2	Very high	94.2	Very high	2 Å²	2	63.4 Å²	63.4	2%	0.017	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	138.6	179	0	0	0	0	0	111.1	I40 Y52 L56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.73Å; Y52-A60 HydrophobicContact CE1-CB 4.47Å; Y52-A60 VanDerWaalsContact CE1-O 3.3Å; Y52-A60 WeakPolarHBondContact CE1-O 3.44Å; L56-A60 PolarHBondContact O-N 2.78Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.21Å; A60-E74 CarbonylContact C-O 3.59Å; A60-E74 WeakPolarHBondContact CA-O 3.16Å; A60-L75 HydrophobicContact CB-CD2 3.88Å
61	T	96.8	Very high	94.3	Very high	50 Å²	50	60.8 Å²	60.8	31%	0.307	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.8	168.1	-61.9	0	0	0	0	108.8	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; T61-E74 PolarHBondContact N-O 2.59Å; T61-E74 PolarHBondContact O-N 3Å
62	L	97.8	Very high	94.3	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.037	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132.6	179.8	-52.9	-175.7	0	0	0	110.6	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.02Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-L62 HydrophobicContact CD1-CB 4.46Å; I43-L62 HydrophobicContact CG2-CB 4.5Å; T50-L62 HydrophobicContact CG2-CB 4.03Å; Y52-L62 HydrophobicContact CE1-CB 4.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.08Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 3.01Å; L62-Y72 WeakPolarHBondContact CA-O 3.34Å; L62-M73 HydrophobicContact CD2-CB 3.77Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.04Å
63	T	97.9	Very high	94.4	Very high	63 Å²	63	56.1 Å²	56.1	39%	0.387	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	160.8	175.3	56.9	0	0	0	0	110.7	I43 T61 A71 Y72	I43-T63 VanDerWaalsContact CD1-C 3.41Å; T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-A71 CarbonylContact O-C 3.5Å; T63-Y72 PolarHBondContact N-O 3.31Å; T63-Y72 PolarHBondContact O-N 3.07Å
64	A	97.9	Very high	94.5	Very high	34 Å²	34	57 Å²	57	28%	0.281	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	134.8	177.9	0	0	0	0	0	110.5	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.16Å; F21-A64 HydrophobicContact CZ-CB 4.17Å; I43-A64 HydrophobicContact CD1-CB 3.76Å; I43-A64 HydrophobicContact CG1-CB 4.38Å; P45-A64 HydrophobicContact CB-CB 4.01Å; P45-A64 HydrophobicContact CG-CB 4.36Å
65	D	97.4	Very high	94.7	Very high	55 Å²	55	50.6 Å²	50.6	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	110.3	170.3	176.4	7.3	0	0	0	109.2	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.82Å; D65-S67 WeakPolarHBondContact OD1-CB 3.4Å; D65-S67 PolarHBondContact OD1-N 2.92Å; D65-S67 PolarHBondContact OD1-OG 2.92Å; D65-S67 PolarHBondContact OD2-OG 2.78Å; D65-S68 WeakPolarHBondContact CB-OG 3.43Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.46Å; D65-S68 PolarHBondContact OD2-OG 2.81Å; D65-S69 WeakPolarHBondContact O-CA 3.33Å; D65-S69 PolarHBondContact O-N 2.97Å; D65-S69 VanDerWaalsContact O-N 3.08Å; D65-T70 PolarHBondContact N-O 2.95Å; D65-T70 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å
66	K	96	Very high	95	Very high	116 Å²	116	48.1 Å²	48.1	50%	0.504	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-33.2	180	-64	170.7	175.8	173.7	0	112	T22 P45 R46 S69	T22-K66 HydrophobicContact CG2-CD 4.5Å; T22-K66 HydrophobicContact CG2-CG 4.13Å; P45-K66 WeakPolarHBondContact O-CE 3.16Å; R46-K66 PolarHBondContact O-NZ 2.86Å; K66-S69 PolarHBondContact O-N 2.83Å
67	S	95.7	Very high	95.3	Very high	108 Å²	108	51.5 Å²	51.5	76%	0.755	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-41.1	-174.9	70.9	0	0	0	0	111.8	D65	D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.82Å; D65-S67 WeakPolarHBondContact OD1-CB 3.4Å; D65-S67 PolarHBondContact OD1-N 2.92Å; D65-S67 PolarHBondContact OD1-OG 2.92Å; D65-S67 PolarHBondContact OD2-OG 2.78Å
68	S	97.1	Very high	95.7	Very high	37 Å²	37	47.2 Å²	47.2	26%	0.259	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.6	177.3	64.9	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.43Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.46Å; D65-S68 PolarHBondContact OD2-OG 2.81Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 2.92Å; S68-T70 WeakPolarHBondContact OG-CB 3.43Å; S68-T70 PolarHBondContact OG-OG1 2.83Å
69	S	97.3	Very high	95.9	Very high	41 Å²	41	46.2 Å²	46.2	29%	0.287	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	42.4	-173.4	-62.8	0	0	0	0	112.8	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.46Å; A16-S69 PolarHBondContact N-O 2.84Å; D65-S69 WeakPolarHBondContact O-CA 3.33Å; D65-S69 PolarHBondContact O-N 2.97Å; D65-S69 VanDerWaalsContact O-N 3.08Å; K66-S69 PolarHBondContact O-N 2.83Å
70	T	98.2	Very high	95.8	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.3	-173.8	-55.2	0	0	0	0	110.7	C14 K15 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.55Å; C14-T70 WeakPolarHBondContact O-CA 3.41Å; K15-T70 HydrophobicContact CB-CG2 4.49Å; D65-T70 PolarHBondContact N-O 2.95Å; D65-T70 PolarHBondContact O-N 2.83Å; S68-T70 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-OG1 2.92Å; S68-T70 WeakPolarHBondContact OG-CB 3.43Å; S68-T70 PolarHBondContact OG-OG1 2.83Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.28Å
71	A	98.2	Very high	95.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	148.2	167.2	0	0	0	0	0	109.7	S13 C14 F21 I26 W28 I43 T63	S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 3.5Å; C14-A71 HydrophobicContact CB-CB 4.4Å; C14-A71 PolarHBondContact N-O 3.17Å; C14-A71 PolarHBondContact O-N 2.83Å; F21-A71 HydrophobicContact CE2-CB 4.36Å; F21-A71 HydrophobicContact CZ-CB 4.07Å; I26-A71 HydrophobicContact CB-CB 4.22Å; I26-A71 HydrophobicContact CG1-CB 4.33Å; I26-A71 HydrophobicContact CG2-CB 3.89Å; W28-A71 HydrophobicContact CZ2-CB 4.14Å; I43-A71 HydrophobicContact CG2-CB 4.45Å; T63-A71 CarbonylContact O-C 3.5Å
72	Y	98.1	Very high	95.1	Very high	53 Å²	53	53.5 Å²	53.5	21%	0.208	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.7	177.3	-55.3	-89	0	0	0	110.9	K11 L12 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 VanDerWaalsContact CE-CD1 3.49Å; K11-Y72 HydrophobicContact CG-CD1 4.41Å; L12-Y72 WeakPolarHBondContact O-CA 3.37Å; L62-Y72 WeakPolarHBondContact CA-O 3.34Å; T63-Y72 PolarHBondContact N-O 3.31Å; T63-Y72 PolarHBondContact O-N 3.07Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.24Å; T70-Y72 HydrophobicContact CG2-CD2 4.38Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.28Å
73	M	97.5	Very high	94.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.2	167.2	178.2	174.9	69.5	0	0	108.7	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.69Å; L12-M73 PolarHBondContact N-O 3.33Å; L12-M73 PolarHBondContact O-N 3.48Å; W28-M73 HydrophobicContact CB-SD 4.06Å; W28-M73 HydrophobicContact CD2-CB 3.74Å; W28-M73 HydrophobicContact CD2-CE 4.46Å; W28-M73 HydrophobicContact CD2-SD 4.22Å; W28-M73 HydrophobicContact CE3-CB 3.87Å; W28-M73 HydrophobicContact CE3-CE 3.87Å; W28-M73 HydrophobicContact CE3-SD 4.22Å; W28-M73 HydrophobicContact CG-CB 4.32Å; W28-M73 HydrophobicContact CG-SD 4.18Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.97Å; W28-M73 HydrophobicContact CZ3-CB 4.03Å; W28-M73 HydrophobicContact CZ3-CE 4.38Å; I40-M73 HydrophobicContact CD1-CE 3.84Å; I40-M73 HydrophobicContact CD1-SD 3.67Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.21Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.77Å; L62-M73 HydrophobicContact CD2-CG 3.62Å; L62-M73 HydrophobicContact CD2-SD 4.04Å; M73-L75 HydrophobicContact CE-CD1 3.89Å; M73-L75 HydrophobicContact CE-CD2 4.21Å; M73-L75 HydrophobicContact CE-CG 4Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.14Å; M73-L75 HydrophobicContact SD-CG 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.48Å; M73-Y86 VanDerWaalsContact CE-CD1 3.48Å; M73-Y86 HydrophobicContact CE-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CG 4.24Å
74	E	96.4	Very high	94.6	Very high	59 Å²	59	56.2 Å²	56.2	28%	0.276	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	123.4	169	-173.9	-178.4	-146	0	0	109	V10 A60 T61 R76	V10-E74 CarbonylContact O-C 3.57Å; V10-E74 WeakPolarHBondContact O-CA 3.4Å; A60-E74 CarbonylContact C-O 3.59Å; A60-E74 WeakPolarHBondContact CA-O 3.16Å; T61-E74 PolarHBondContact N-O 2.59Å; T61-E74 PolarHBondContact O-N 3Å; E74-R76 HydrophobicContact CG-CG 4.22Å; E74-R76 IonicContact OE2-CZ 3.4Å; E74-R76 IonicContact OE2-NE 3.54Å; E74-R76 PolarHBondContact OE2-NE 3.08Å; E74-R76 IonicContact OE2-NH2 2.58Å; E74-R76 PolarHBondContact OE2-NH2 2.81Å
75	L	94.9	Very high	94.5	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.6	170.7	-65.7	166.3	0	0	0	108.4	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 3.34Å; S9-L75 WeakPolarHBondContact CB-O 3.48Å; V10-L75 HydrophobicContact CG1-CB 3.94Å; V10-L75 HydrophobicContact CG1-CD1 4.17Å; V10-L75 PolarHBondContact N-O 2.96Å; V10-L75 PolarHBondContact O-N 3.19Å; K59-L75 WeakPolarHBondContact O-CA 2.96Å; A60-L75 HydrophobicContact CB-CD2 3.88Å; M73-L75 HydrophobicContact CE-CD1 3.89Å; M73-L75 HydrophobicContact CE-CD2 4.21Å; M73-L75 HydrophobicContact CE-CG 4Å; M73-L75 HydrophobicContact CG-CD2 4.43Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.14Å; M73-L75 HydrophobicContact SD-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.41Å; L75-Y86 HydrophobicContact CD1-CE1 3.64Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.47Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.45Å
76	R	93.6	Very high	94.4	Very high	121 Å²	121	58.2 Å²	58.2	46%	0.457	33%	0.33	S	S	.	.			trans	-109.8	154.3	-177.7	-59.7	-177.5	179.2	177.9	0.9	111.3	K59 E74 L78	K59-R76 WeakPolarHBondContact CG-O 3.46Å; K59-R76 PolarHBondContact O-N 3.29Å; E74-R76 HydrophobicContact CG-CG 4.22Å; E74-R76 IonicContact OE2-CZ 3.4Å; E74-R76 IonicContact OE2-NE 3.54Å; E74-R76 PolarHBondContact OE2-NE 3.08Å; E74-R76 IonicContact OE2-NH2 2.58Å; E74-R76 PolarHBondContact OE2-NH2 2.81Å; R76-L78 PolarHBondContact O-N 3.08Å
77	S	92.7	Very high	94.5	Very high	82 Å²	82	56.9 Å²	56.9	57%	0.573	33%	0.325	S	S	*	.	S	Bend	trans	52.1	54.3	174.2	-55	0	0	0	0	112.1	A8	A8-S77 PolarHBondContact O-N 2.93Å
78	L	92.3	Very high	94.5	Very high	21 Å²	21	54.2 Å²	54.2	11%	0.11	31%	0.305	C	S	.	.			trans	-59.7	139.1	-173.9	-70.6	170.4	0	0	0	112.4	A4 P6 G7 A8 V10 L75 R76 D82	A4-L78 HydrophobicContact CB-CD1 3.49Å; A4-L78 VanDerWaalsContact CB-CD1 3.49Å; P6-L78 CarbonylContact C-O 3.54Å; P6-L78 WeakPolarHBondContact CA-O 3.36Å; G7-L78 PolarHBondContact N-O 3.48Å; A8-L78 WeakPolarHBondContact O-CB 3.33Å; A8-L78 VanDerWaalsContact O-CG 3.29Å; A8-L78 WeakPolarHBondContact O-CG 3.49Å; A8-L78 PolarHBondContact O-N 3.03Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.23Å; V10-L78 HydrophobicContact CG1-CG 4.47Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; R76-L78 PolarHBondContact O-N 3.08Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.78Å
79	T	91.8	Very high	94.5	Very high	64 Å²	64	54.9 Å²	54.9	39%	0.393	31%	0.313	S	S	.	.			trans	-121.8	169.9	173.8	65.1	0	0	0	0	109.8	K59 E81 D82	K59-T79 PolarHBondContact NZ-OG1 3.09Å; T79-E81 PolarHBondContact O-N 2.93Å; T79-E81 VanDerWaalsContact O-N 3.14Å; T79-D82 PolarHBondContact N-OD2 3.48Å; T79-D82 PolarHBondContact O-N 3.35Å; T79-D82 PolarHBondContact OG1-OD2 2.79Å
80	S	88.8	Confident	94.2	Very high	108 Å²	108	61.2 Å²	61.2	76%	0.755	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-57.3	-27.4	175.7	50.6	0	0	0	0	112.9	D82 S83	S80-D82 PolarHBondContact O-N 2.79Å; S80-S83 WeakPolarHBondContact O-CB 3.49Å; S80-S83 PolarHBondContact O-N 3.32Å
81	E	87.4	Confident	94	Very high	129 Å²	129	63.8 Å²	63.8	60%	0.603	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-70.5	-15.6	178.1	-59	-171.8	157.4	0	0	114.3	T79 S83	T79-E81 PolarHBondContact O-N 2.93Å; T79-E81 VanDerWaalsContact O-N 3.14Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82	D	90.6	Very high	93.8	Very high	12 Å²	12	67.2 Å²	67.2	6%	0.064	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-87.5	-3.3	174.7	-53.7	-50.8	0	0	0	112.5	K59 L78 T79 S80 A84 Y86	K59-D82 VanDerWaalsContact CE-CG 3.43Å; K59-D82 WeakPolarHBondContact CE-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 3.07Å; K59-D82 PolarHBondContact NZ-OD1 3.05Å; K59-D82 IonicContact NZ-OD2 3.37Å; K59-D82 PolarHBondContact NZ-OD2 2.9Å; L78-D82 WeakPolarHBondContact CA-OD2 3.43Å; L78-D82 HydrophobicContact CD2-CB 3.78Å; T79-D82 PolarHBondContact N-OD2 3.48Å; T79-D82 PolarHBondContact O-N 3.35Å; T79-D82 PolarHBondContact OG1-OD2 2.79Å; S80-D82 PolarHBondContact O-N 2.79Å; D82-A84 PolarHBondContact O-N 3.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 2.64Å
83	S	92.1	Very high	93.6	Very high	100 Å²	100	67.9 Å²	67.9	70%	0.699	37%	0.371	S	S	*	.			trans	-68.2	103.6	174.4	-163.7	0	0	0	0	109.4	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.49Å; S80-S83 PolarHBondContact O-N 3.32Å; E81-S83 VanDerWaalsContact C-N 3.31Å
84	A	93.8	Very high	93.3	Very high	28 Å²	28	71.9 Å²	71.9	23%	0.231	39%	0.393	C	S	.	.	S	Bend	trans	-157.1	165.4	-173.2	0	0	0	0	0	110.3	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CB-CB 4.12Å; Q31-A84 WeakPolarHBondContact O-CA 3.38Å; Q31-A84 WeakPolarHBondContact O-CB 2.96Å; R32-A84 HydrophobicContact CG-CB 3.86Å; D82-A84 PolarHBondContact O-N 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE2 3.96Å; A84-Y86 WeakPolarHBondContact O-CD2 3.26Å
85	V	95.1	Very high	93.1	Very high	81 Å²	81	72.8 Å²	72.8	49%	0.491	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.5	162.7	-173.9	0	0	0	0	108	K30 Q31 F87	K30-V85 CarbonylContact C-O 3.54Å; K30-V85 WeakPolarHBondContact CA-O 3.45Å; Q31-V85 PolarHBondContact N-O 3.49Å; Q31-V85 PolarHBondContact O-N 3Å; V85-F87 HydrophobicContact CB-CE2 3.97Å; V85-F87 HydrophobicContact CB-CZ 4.09Å; V85-F87 HydrophobicContact CG1-CD2 4.33Å; V85-F87 HydrophobicContact CG1-CE1 3.88Å; V85-F87 HydrophobicContact CG1-CE2 3.6Å; V85-F87 HydrophobicContact CG1-CZ 3.35Å
86	Y	95.9	Very high	93	Very high	49 Å²	49	77.3 Å²	77.3	19%	0.192	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.3	179.7	-70.4	-90.1	0	0	0	110.1	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.04Å; L12-Y86 HydrophobicContact CD1-CG 3.7Å; V29-Y86 WeakPolarHBondContact O-CA 3.31Å; K30-Y86 HydrophobicContact CB-CD1 3.71Å; K30-Y86 HydrophobicContact CB-CE1 3.58Å; K30-Y86 HydrophobicContact CB-CG 4.47Å; K30-Y86 HydrophobicContact CD-CE1 4.18Å; K30-Y86 HydrophobicContact CG-CE1 4.47Å; I40-Y86 HydrophobicContact CD1-CD1 3.7Å; I40-Y86 HydrophobicContact CD1-CE1 3.69Å; M73-Y86 HydrophobicContact CE-CD1 3.48Å; M73-Y86 VanDerWaalsContact CE-CD1 3.48Å; M73-Y86 HydrophobicContact CE-CE1 3.82Å; M73-Y86 HydrophobicContact CE-CG 4.24Å; L75-Y86 HydrophobicContact CD1-CD1 4.41Å; L75-Y86 HydrophobicContact CD1-CE1 3.64Å; L75-Y86 HydrophobicContact CD1-CE2 4.14Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.47Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.45Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 2.64Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE2 3.96Å; A84-Y86 WeakPolarHBondContact O-CD2 3.26Å
87	F	96.6	Very high	93	Very high	89 Å²	89	74.2 Å²	74.2	39%	0.39	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.5	179.6	-58.4	-82.1	0	0	0	109.8	W28 V29 Q31 V85	W28-F87 WeakPolarHBondContact CA-O 3.31Å; V29-F87 PolarHBondContact N-O 2.88Å; V29-F87 PolarHBondContact O-N 3.27Å; Q31-F87 HydrophobicContact CB-CD2 4.48Å; Q31-F87 HydrophobicContact CB-CE2 3.84Å; V85-F87 HydrophobicContact CB-CE2 3.97Å; V85-F87 HydrophobicContact CB-CZ 4.09Å; V85-F87 HydrophobicContact CG1-CD2 4.33Å; V85-F87 HydrophobicContact CG1-CE1 3.88Å; V85-F87 HydrophobicContact CG1-CE2 3.6Å; V85-F87 HydrophobicContact CG1-CZ 3.35Å
88	C	96.8	Very high	93	Very high	52 Å²	52	73.6 Å²	73.6	35%	0.351	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.2	160.9	61.9	0	0	0	0	109.1	C14 I26 S27 W28	C14-C88 HydrophobicContact CB-CB 3.5Å; C14-C88 WeakPolarHBondContact CB-SG 2.74Å; C14-C88 WeakPolarHBondContact SG-CB 3.48Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.94Å; I26-C88 HydrophobicContact CG2-CB 4.25Å; S27-C88 CarbonylContact O-C 3.52Å; S27-C88 VanDerWaalsContact O-CA 3.3Å; S27-C88 WeakPolarHBondContact O-CA 3.4Å; W28-C88 HydrophobicContact CD2-CB 4.36Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.33Å; W28-C88 HydrophobicContact CZ2-CB 4.44Å; W28-C88 HydrophobicContact CZ3-CB 4.2Å
89	A	95.7	Very high	93.1	Very high	50 Å²	50	78 Å²	78	41%	0.413	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.9	179.2	0	0	0	0	0	110.4	I26 S27	I26-A89 CarbonylContact C-O 3.6Å; I26-A89 WeakPolarHBondContact CA-O 3.48Å; S27-A89 PolarHBondContact N-O 3.45Å; S27-A89 PolarHBondContact O-N 3.31Å
90	R	92.1	Very high	93.2	Very high	174 Å²	174	79.3 Å²	79.3	66%	0.657	44%	0.441	S	S	*	.			trans	-114.4	0	167.2	76.1	-177.2	173.4	144.5	-9.6	108.9	I26	I26-R90 HydrophobicContact CD1-CB 4.15Å

Retrieved 90 of 90 residues in 18.7 ms (Link to these results)

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