X5J4W2_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4W2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J4W2_MOUSE|X5J4W2
AELVMPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGMIHPNSGSTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCAPE
					

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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	66.4	Low	87	Confident	157 Å²	157	98 Å²	98	100%	1.298	60%	0.599	S	S	*	*				0	133.1	0	0	0	0	0	0	107.4
2	E	77.3	Confident	87.9	Confident	128 Å²	128	93 Å²	93	60%	0.598	57%	0.566	S	S	*	*			trans	-110.3	125.7	-179	-163.5	174.3	169.4	0	0	108.6	V4 V10	E2-V4 HydrophobicContact CG-CG1 4.05Å; E2-V10 HydrophobicContact CG-CG2 4.42Å; E2-V10 VanDerWaalsContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.33Å
3	L	83.2	Confident	88.6	Confident	178 Å²	178	92.4 Å²	92.4	93%	0.932	57%	0.568	S	S	*	*			trans	-105.9	120.3	177	-87.2	149.7	0	0	0	107.6
4	V	87	Confident	89.3	Confident	61 Å²	61	86.6 Å²	86.6	37%	0.37	53%	0.533	S	S	.	.			trans	-127.6	146.6	-175.5	-67.7	0	0	0	0	109.8	E2 A8 V10 L78	E2-V4 HydrophobicContact CG-CG1 4.05Å; V4-A8 HydrophobicContact CB-CB 4.45Å; V4-V10 HydrophobicContact CG1-CB 4.43Å; V4-V10 HydrophobicContact CG1-CG2 4.46Å; V4-L78 HydrophobicContact CB-CD1 4.33Å; V4-L78 HydrophobicContact CG2-CD1 3.41Å; V4-L78 VanDerWaalsContact CG2-CD1 3.41Å
5	M	86.6	Confident	89.8	Confident	153 Å²	153	91.4 Å²	91.4	75%	0.754	54%	0.544	S	S	*	.			trans	-70	147.9	177.1	-68.2	-174.5	-76.7	0	0	110.6	G7 A8	M5-G7 PolarHBondContact O-N 3.29Å; M5-A8 WeakPolarHBondContact O-CB 3.48Å; M5-A8 PolarHBondContact O-N 3.03Å; M5-A8 VanDerWaalsContact O-N 3.08Å
6	P	87.8	Confident	90.2	Very high	117 Å²	117	86.4 Å²	86.4	76%	0.76	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	140.3	169.8	-24.8	34.3	0	0	0	111.5	A8	P6-A8 PolarHBondContact O-N 3.27Å
7	G	89.3	Confident	90.4	Very high	53 Å²	53	87.3 Å²	87.3	55%	0.546	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-12	-176.2	0	0	0	0	0	114.9	M5 L78	M5-G7 PolarHBondContact O-N 3.29Å; G7-L78 PolarHBondContact N-O 3.08Å
8	A	93.1	Very high	90.6	Very high	34 Å²	34	87.6 Å²	87.6	28%	0.281	55%	0.55	S	S	.	*			trans	-69.2	169.4	173.8	0	0	0	0	0	111.7	V4 M5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.45Å; M5-A8 WeakPolarHBondContact O-CB 3.48Å; M5-A8 PolarHBondContact O-N 3.03Å; M5-A8 VanDerWaalsContact O-N 3.08Å; P6-A8 PolarHBondContact O-N 3.27Å; A8-S77 PolarHBondContact O-N 3.01Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.4Å; A8-L78 PolarHBondContact O-N 2.94Å
9	S	94.7	Very high	90.7	Very high	65 Å²	65	86.7 Å²	86.7	46%	0.455	54%	0.536	S	S	.	.			trans	-113.4	147.3	170	-55.3	0	0	0	0	109.7	L75	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.44Å; S9-L75 WeakPolarHBondContact CB-O 3.35Å
10	V	95.3	Very high	91	Very high	15 Å²	15	86.7 Å²	86.7	9%	0.091	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.4	175.8	69.4	0	0	0	0	110.2	E2 V4 L12 Q74 L75 L78	E2-V10 HydrophobicContact CG-CG2 4.42Å; E2-V10 VanDerWaalsContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.39Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.33Å; V4-V10 HydrophobicContact CG1-CB 4.43Å; V4-V10 HydrophobicContact CG1-CG2 4.46Å; V10-L12 HydrophobicContact CG2-CD2 4.17Å; V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.38Å; V10-L75 HydrophobicContact CG1-CB 4.01Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 PolarHBondContact N-O 3.18Å; V10-L75 PolarHBondContact O-N 3Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.41Å
11	K	96.8	Very high	91.2	Very high	117 Å²	117	82.9 Å²	82.9	51%	0.509	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	109.1	174.9	-173.6	178.4	-179.5	-179.5	0	109.9	Y72	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å
12	L	97.2	Very high	92.7	Very high	38 Å²	38	77.8 Å²	77.8	20%	0.199	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	146.5	174.3	-56	-179.9	0	0	0	110	V10 W28 Y72 M73 Y86	V10-L12 HydrophobicContact CG2-CD2 4.17Å; L12-W28 HydrophobicContact CB-CH2 4.13Å; L12-W28 HydrophobicContact CB-CZ3 3.94Å; L12-W28 HydrophobicContact CD1-CZ3 4.49Å; L12-Y72 WeakPolarHBondContact O-CA 3.32Å; L12-Y72 WeakPolarHBondContact O-CB 3.4Å; L12-M73 HydrophobicContact CD1-CE 3.69Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 2.8Å; L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å
13	S	97.8	Very high	93.6	Very high	85 Å²	85	75.1 Å²	75.1	59%	0.594	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	145.5	177.1	68.4	0	0	0	0	110.9	A71 Y72	S13-A71 CarbonylContact C-O 3.45Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å
14	C	97.7	Very high	94.1	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.081	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	105.6	178.7	-179.1	0	0	0	0	109.3	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.67Å; C14-W28 HydrophobicContact CB-CZ2 3.81Å; C14-T70 CarbonylContact O-C 3.54Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; C14-A71 HydrophobicContact CB-CB 4.49Å; C14-A71 PolarHBondContact N-O 2.82Å; C14-A71 PolarHBondContact O-N 3.17Å; C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.63Å
15	K	97.4	Very high	94.7	Very high	158 Å²	158	71.9 Å²	71.9	69%	0.687	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	120.4	179.6	-171.9	173.8	-176.3	177.9	0	110.1
16	A	95.5	Very high	95.2	Very high	11 Å²	11	64.7 Å²	64.7	9%	0.091	39%	0.394	C	S	.	.			trans	-76.4	146.7	176.1	0	0	0	0	0	111.1	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.93Å; A16-Y19 HydrophobicContact CB-CE2 4.24Å; A16-Y19 VanDerWaalsContact CB-OH 3.31Å; A16-Y19 WeakPolarHBondContact CB-OH 3.41Å; A16-F21 HydrophobicContact CB-CB 4.01Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 3.95Å; A16-M26 HydrophobicContact CB-CE 4.48Å; A16-S69 PolarHBondContact N-O 3.18Å
17	S	94.4	Very high	95.7	Very high	102 Å²	102	61.1 Å²	61.1	71%	0.713	37%	0.367	S	S	*	.			trans	-152.9	150.9	173.3	64.6	0	0	0	0	110	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å
18	G	94	Very high	96.1	Very high	92 Å²	92	58.9 Å²	58.9	95%	0.948	34%	0.342	S	S	*	.	S	Bend	trans	83.3	3.2	177.2	0	0	0	0	0	115.9
19	Y	92.6	Very high	96.4	Very high	71 Å²	71	58.6 Å²	58.6	28%	0.278	34%	0.337	S	S	.	.	S	Bend	trans	-154.6	167.1	175.8	64.3	-83.7	0	0	0	111.6	A16 S17 F21 Y24 M26 P90	A16-Y19 HydrophobicContact CB-CE1 3.93Å; A16-Y19 HydrophobicContact CB-CE2 4.24Å; A16-Y19 VanDerWaalsContact CB-OH 3.31Å; A16-Y19 WeakPolarHBondContact CB-OH 3.41Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; Y19-F21 PolarHBondContact O-N 3.25Å; Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CE2 4.06Å; Y19-Y24 HydrophobicContact CD2-CG 4.34Å; Y19-Y24 HydrophobicContact CE2-CD2 4.08Å; Y19-Y24 HydrophobicContact CE2-CG 4.47Å; Y19-M26 VanDerWaalsContact OH-CE 3.27Å; Y19-M26 WeakPolarHBondContact OH-CE 3.5Å; Y19-P90 HydrophobicContact CE1-CB 4.37Å; Y19-P90 HydrophobicContact CE1-CG 4.09Å; Y19-P90 HydrophobicContact CE2-CB 3.99Å
20	T	95.8	Very high	96.5	Very high	87 Å²	87	55.5 Å²	55.5	53%	0.534	32%	0.316	S	S	.	.			trans	-71.7	98.4	174.1	-54.1	0	0	0	0	109.8	T22 S23	T20-T22 PolarHBondContact O-N 2.88Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T20-S23 VanDerWaalsContact CG2-OG 3.28Å; T20-S23 WeakPolarHBondContact CG2-OG 3.11Å; T20-S23 WeakPolarHBondContact O-CB 3.2Å; T20-S23 PolarHBondContact O-N 3.41Å
21	F	95.9	Very high	96.5	Very high	7 Å²	7	58.1 Å²	58.1	3%	0.031	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-51.1	-36.5	-175.5	175.1	-122.6	0	0	0	114	A16 Y19 S23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.01Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 3.95Å; Y19-F21 PolarHBondContact O-N 3.25Å; F21-S23 PolarHBondContact O-N 2.91Å; F21-M26 HydrophobicContact CD2-CE 4.35Å; F21-M26 HydrophobicContact CE2-CE 3.89Å; F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.39Å; F21-P45 HydrophobicContact CD2-CB 4.39Å; F21-P45 HydrophobicContact CD2-CG 4.05Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 4.04Å; F21-P45 HydrophobicContact CE2-CB 4.07Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.31Å; F21-P45 HydrophobicContact CG-CG 4.43Å; F21-P45 HydrophobicContact CZ-CB 3.62Å; F21-P45 HydrophobicContact CZ-CG 3.64Å; F21-P45 WeakPolarHBondContact O-CG 3.15Å; F21-V64 HydrophobicContact CE1-CB 4.49Å; F21-V64 HydrophobicContact CZ-CB 4.45Å; F21-V64 HydrophobicContact CZ-CG1 4.11Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 4.1Å
22	T	96.9	Very high	96.4	Very high	49 Å²	49	55 Å²	55	30%	0.301	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-75.9	-6.3	-178.8	50.1	0	0	0	0	114.5	T20 N46	T20-T22 PolarHBondContact O-N 2.88Å; T20-T22 VanDerWaalsContact O-N 3.08Å; T22-N46 WeakPolarHBondContact O-CB 2.93Å
23	S	96	Very high	96.1	Very high	73 Å²	73	59 Å²	59	51%	0.51	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-95	-10.7	-176.9	-61.3	0	0	0	0	114.5	T20 F21	T20-S23 VanDerWaalsContact CG2-OG 3.28Å; T20-S23 WeakPolarHBondContact CG2-OG 3.11Å; T20-S23 WeakPolarHBondContact O-CB 3.2Å; T20-S23 PolarHBondContact O-N 3.41Å; F21-S23 PolarHBondContact O-N 2.91Å
24	Y	95.6	Very high	95.8	Very high	106 Å²	106	59.2 Å²	59.2	42%	0.416	36%	0.356	S	S	.	.	S	Bend	trans	-129.1	146.1	-172.8	-63.5	-92.4	0	0	0	111	Y19 P45 E91	Y19-Y24 AromaticContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CD2 3.57Å; Y19-Y24 HydrophobicContact CD2-CE2 4.06Å; Y19-Y24 HydrophobicContact CD2-CG 4.34Å; Y19-Y24 HydrophobicContact CE2-CD2 4.08Å; Y19-Y24 HydrophobicContact CE2-CG 4.47Å; Y24-P45 WeakPolarHBondContact O-CD 3.32Å; Y24-E91 WeakPolarHBondContact CD1-O 3.03Å
25	W	97.8	Very high	95.5	Very high	64 Å²	64	63.5 Å²	63.5	24%	0.242	38%	0.375	C	S	.	.			trans	-66.4	141.3	168.3	-70.3	85.9	0	0	0	110.1	M42 I43 H44 S49 P90 E91	W25-M42 HydrophobicContact CD2-CE 4.23Å; W25-M42 HydrophobicContact CD2-CG 4.39Å; W25-M42 HydrophobicContact CD2-SD 4.31Å; W25-M42 HydrophobicContact CE3-CB 4.12Å; W25-M42 HydrophobicContact CE3-CE 3.98Å; W25-M42 HydrophobicContact CE3-CG 3.57Å; W25-M42 HydrophobicContact CE3-SD 4.03Å; W25-M42 HydrophobicContact CH2-CE 4.38Å; W25-M42 HydrophobicContact CZ3-CE 4.06Å; W25-M42 HydrophobicContact CZ3-CG 3.97Å; W25-I43 VanDerWaalsContact CE3-C 3.44Å; W25-H44 AromaticContact CD1-CD2 3.88Å; W25-H44 HydrophobicContact CD2-CB 3.65Å; W25-H44 AromaticContact CE2-CD2 3.79Å; W25-H44 AromaticContact CE2-CG 3.97Å; W25-H44 HydrophobicContact CE3-CB 3.57Å; W25-H44 HydrophobicContact CG-CB 4.46Å; W25-H44 HydrophobicContact CH2-CB 3.62Å; W25-H44 HydrophobicContact CZ2-CB 3.68Å; W25-H44 HydrophobicContact CZ3-CB 3.57Å; W25-H44 VanDerWaalsContact CZ3-N 3.35Å; W25-H44 AromaticContact NE1-CD2 3.68Å; W25-S49 VanDerWaalsContact CZ3-O 3.25Å; W25-S49 WeakPolarHBondContact CZ3-O 3.21Å; W25-P90 CarbonylContact O-C 3.57Å; W25-P90 WeakPolarHBondContact O-CA 3.36Å; W25-E91 HydrophobicContact CB-CB 4.29Å; W25-E91 VanDerWaalsContact CD1-OE2 3.22Å; W25-E91 PolarHBondContact O-N 2.71Å
26	M	98.1	Very high	95.2	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.4	170.9	-177.4	62.5	68.5	0	0	109	A16 Y19 F21 M42 I43 A71 C88 A89	A16-M26 HydrophobicContact CB-CE 4.48Å; Y19-M26 VanDerWaalsContact OH-CE 3.27Å; Y19-M26 WeakPolarHBondContact OH-CE 3.5Å; F21-M26 HydrophobicContact CD2-CE 4.35Å; F21-M26 HydrophobicContact CE2-CE 3.89Å; M26-M42 CarbonylContact O-C 3.57Å; M26-M42 WeakPolarHBondContact O-CA 3.27Å; M26-M42 WeakPolarHBondContact O-CB 3.31Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 2.01Å; M26-I43 PolarHBondContact O-N 3.13Å; M26-A71 HydrophobicContact CB-CB 4.23Å; M26-A71 HydrophobicContact CG-CB 3.69Å; M26-C88 HydrophobicContact SD-CB 3.86Å; M26-A89 VanDerWaalsContact SD-C 3.57Å
27	H	98.3	Very high	95.2	Very high	42 Å²	42	63.7 Å²	63.7	19%	0.194	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	145.4	177.5	-68.1	-103.4	0	0	0	110.9	W39 M42 C88 A89	H27-W39 AromaticContact ND1-CD1 3.95Å; H27-W39 AromaticContact ND1-NE1 3.26Å; H27-W39 PolarHBondContact ND1-NE1 2.67Å; H27-M42 PolarHBondContact CE1-SD 3.14Å; H27-C88 WeakPolarHBondContact O-CA 3.3Å; H27-A89 PolarHBondContact N-O 3.35Å; H27-A89 PolarHBondContact O-N 3.42Å; H27-A89 VanDerWaalsContact O-N 3.12Å
28	W	98.4	Very high	95.3	Very high	6 Å²	6	60.5 Å²	60.5	2%	0.023	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.6	171.4	-69.8	88.1	0	0	0	110.2	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.13Å; L12-W28 HydrophobicContact CB-CZ3 3.94Å; L12-W28 HydrophobicContact CD1-CZ3 4.49Å; C14-W28 HydrophobicContact CB-CH2 3.67Å; C14-W28 HydrophobicContact CB-CZ2 3.81Å; W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 3.26Å; W28-G41 PolarHBondContact N-O 3.44Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; W28-A71 HydrophobicContact CZ2-CB 4.21Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.72Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.68Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.31Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.01Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 3.99Å; W28-M73 HydrophobicContact CZ3-CE 4.23Å; W28-Y87 WeakPolarHBondContact CA-O 3.37Å; W28-C88 HydrophobicContact CD2-CB 4.29Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.28Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å
29	V	97.9	Very high	95.5	Very high	29 Å²	29	60 Å²	60	18%	0.176	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	140.1	-174	-174	0	0	0	0	109.8	L37 E38 Y86 Y87	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.82Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 WeakPolarHBondContact CG1-O 3.44Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; V29-Y87 PolarHBondContact N-O 2.94Å; V29-Y87 PolarHBondContact O-N 3.47Å
30	K	96.6	Very high	95.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	138.9	174.6	-176.7	179.9	-179.2	177.2	0	110	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.84Å; K30-E38 PolarHBondContact O-N 2.84Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.19Å; K30-F56 HydrophobicContact CD-CE1 3.96Å; K30-F56 HydrophobicContact CD-CZ 4.06Å; K30-E81 WeakPolarHBondContact CE-O 3.37Å; K30-E81 PolarHBondContact NZ-O 3.35Å; K30-D82 IonicContact NZ-OD1 3.26Å; K30-D82 PolarHBondContact NZ-OD1 2.95Å; K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 HydrophobicContact CG-CB 3.44Å; K30-A84 VanDerWaalsContact CG-CB 3.44Å; K30-Y86 HydrophobicContact CB-CD1 4.19Å; K30-Y86 HydrophobicContact CB-CE1 3.95Å; K30-Y86 HydrophobicContact CD-CE1 4.02Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.78Å
31	Q	96.4	Very high	95.9	Very high	69 Å²	69	52.5 Å²	52.5	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	117.9	171.9	-166.1	-178.2	32.4	0	0	110.7	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; Q31-V85 PolarHBondContact N-O 2.63Å; Q31-V85 PolarHBondContact O-N 3.15Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 3.42Å
32	R	93.9	Very high	96	Very high	51 Å²	51	53.9 Å²	53.9	19%	0.192	31%	0.306	C	S	.	.			trans	-91.8	148.3	169.5	-61	-165	-170.5	102.1	-6.2	110.6	G34 Q35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.9Å; R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.1Å; R32-Q35 PolarHBondContact O-N 2.75Å; R32-E38 IonicContact CZ-OE2 2.88Å; R32-E38 IonicContact NH1-OE2 3.41Å; R32-E38 PolarHBondContact NH1-OE2 2.95Å; R32-E81 VanDerWaalsContact CZ-O 3.23Å; R32-E81 PolarHBondContact NE-O 3.17Å; R32-E81 PolarHBondContact NH2-O 2.88Å; R32-A84 HydrophobicContact CG-CB 4.11Å
33	P	91.3	Very high	96.1	Very high	122 Å²	122	51.8 Å²	51.8	79%	0.792	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	127.7	171.2	-24.4	33.9	0	0	0	111.2	Q35	P33-Q35 PolarHBondContact O-N 2.86Å
34	G	91.6	Very high	96.2	Very high	91 Å²	91	50 Å²	50	94%	0.938	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	4.1	-179.7	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.9Å
35	Q	91.3	Very high	96.3	Very high	101 Å²	101	44.9 Å²	44.9	47%	0.472	26%	0.256	S	S	.	.	S	Bend	trans	-115.6	161.1	173.7	-58.5	-174.7	-5.3	0	0	111.1	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.04Å; R32-Q35 HydrophobicContact CB-CG 4.1Å; R32-Q35 PolarHBondContact O-N 2.75Å; P33-Q35 PolarHBondContact O-N 2.86Å
36	G	92.1	Very high	96.3	Very high	55 Å²	55	46.2 Å²	46.2	57%	0.567	27%	0.268	S	S	*	.			trans	-68.6	177.2	172.9	0	0	0	0	0	113.2
37	L	95.4	Very high	96.2	Very high	118 Å²	118	49.4 Å²	49.4	62%	0.618	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	127	171.8	-66.9	174.4	0	0	0	110.1	V29 Q31	V29-L37 HydrophobicContact CG1-CB 3.73Å; V29-L37 HydrophobicContact CG1-CD2 3.82Å; V29-L37 HydrophobicContact CG1-CG 4.24Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.91Å
38	E	96.7	Very high	96.2	Very high	35 Å²	35	49.2 Å²	49.2	16%	0.164	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	113.8	173.2	-64.9	-167.8	90.1	0	0	109.4	V29 K30 R32 I40 K55 F56	V29-E38 WeakPolarHBondContact CA-O 3.33Å; V29-E38 WeakPolarHBondContact CG1-O 3.44Å; K30-E38 HydrophobicContact CB-CB 4.35Å; K30-E38 PolarHBondContact N-O 2.84Å; K30-E38 PolarHBondContact O-N 2.84Å; R32-E38 IonicContact CZ-OE2 2.88Å; R32-E38 IonicContact NH1-OE2 3.41Å; R32-E38 PolarHBondContact NH1-OE2 2.95Å; E38-I40 PolarHBondContact O-N 2.76Å; E38-K55 IonicContact OE1-NZ 3.6Å; E38-K55 PolarHBondContact OE1-NZ 2.89Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.29Å
39	W	97.6	Very high	96.1	Very high	82 Å²	82	51.7 Å²	51.7	31%	0.311	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.7	174.9	-179	73.6	0	0	0	110.6	H27 G41 M42 N51 N53	H27-W39 AromaticContact ND1-CD1 3.95Å; H27-W39 AromaticContact ND1-NE1 3.26Å; H27-W39 PolarHBondContact ND1-NE1 2.67Å; W39-G41 PolarHBondContact NE1-O 3.46Å; W39-M42 HydrophobicContact CZ2-CB 4.08Å; W39-M42 HydrophobicContact CZ2-CG 3.84Å; W39-M42 HydrophobicContact CZ2-SD 4.03Å; W39-N51 HydrophobicContact CH2-CB 4.33Å; W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 3.45Å
40	I	98.2	Very high	96.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-48.9	-178.4	-63.5	169.6	0	0	0	110.4	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.19Å; W28-I40 HydrophobicContact CB-CD1 4.35Å; W28-I40 WeakPolarHBondContact O-CB 3.45Å; W28-I40 PolarHBondContact O-N 3.26Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.19Å; E38-I40 PolarHBondContact O-N 2.76Å; I40-N53 PolarHBondContact O-N 3.44Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.2Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.22Å; I40-F56 HydrophobicContact CG1-CE2 4.23Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.23Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.37Å; I40-F56 HydrophobicContact CG2-CD2 4.44Å; I40-F56 HydrophobicContact CG2-CG 3.96Å; I40-A60 HydrophobicContact CG2-CB 3.79Å; I40-M73 HydrophobicContact CB-SD 4.48Å; I40-M73 HydrophobicContact CD1-CE 3.7Å; I40-M73 HydrophobicContact CD1-SD 3.66Å; I40-M73 HydrophobicContact CG2-SD 3.81Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.83Å
41	G	98.3	Very high	96.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.9	179.4	-171.2	0	0	0	0	0	111.9	W28 W39 N51	W28-G41 PolarHBondContact N-O 3.44Å; W39-G41 PolarHBondContact NE1-O 3.46Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.06Å
42	M	98.4	Very high	96.3	Very high	37 Å²	37	55.9 Å²	55.9	18%	0.182	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	153.9	175.6	66	-168.1	-168.2	0	0	111.3	W25 M26 H27 W39 T50 N51	W25-M42 HydrophobicContact CD2-CE 4.23Å; W25-M42 HydrophobicContact CD2-CG 4.39Å; W25-M42 HydrophobicContact CD2-SD 4.31Å; W25-M42 HydrophobicContact CE3-CB 4.12Å; W25-M42 HydrophobicContact CE3-CE 3.98Å; W25-M42 HydrophobicContact CE3-CG 3.57Å; W25-M42 HydrophobicContact CE3-SD 4.03Å; W25-M42 HydrophobicContact CH2-CE 4.38Å; W25-M42 HydrophobicContact CZ3-CE 4.06Å; W25-M42 HydrophobicContact CZ3-CG 3.97Å; M26-M42 CarbonylContact O-C 3.57Å; M26-M42 WeakPolarHBondContact O-CA 3.27Å; M26-M42 WeakPolarHBondContact O-CB 3.31Å; H27-M42 PolarHBondContact CE1-SD 3.14Å; W39-M42 HydrophobicContact CZ2-CB 4.08Å; W39-M42 HydrophobicContact CZ2-CG 3.84Å; W39-M42 HydrophobicContact CZ2-SD 4.03Å; M42-T50 VanDerWaalsContact O-CA 3.32Å; M42-T50 WeakPolarHBondContact O-CA 3.25Å; M42-N51 HydrophobicContact CE-CB 3.97Å; M42-N51 HydrophobicContact CG-CB 4.12Å; M42-N51 PolarHBondContact N-O 2.91Å; M42-N51 PolarHBondContact O-N 3.2Å
43	I	98.6	Very high	96.5	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.4	175.2	-175.3	159.4	0	0	0	110	W25 M26 P45 S49 T50 L62 V64	W25-I43 VanDerWaalsContact CE3-C 3.44Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 2.01Å; M26-I43 PolarHBondContact O-N 3.13Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 2.96Å; I43-S49 CarbonylContact C-O 3.59Å; I43-S49 WeakPolarHBondContact CA-O 3.31Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.66Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.27Å; I43-L62 HydrophobicContact CD1-CB 4.1Å; I43-L62 HydrophobicContact CG2-CB 4.27Å; I43-V64 HydrophobicContact CD1-CG1 3.8Å; I43-V64 HydrophobicContact CD1-CG2 4.37Å; I43-V64 HydrophobicContact CG1-CG1 3.96Å; I43-V64 HydrophobicContact CG2-CG1 3.83Å
44	H	98.1	Very high	96.7	Very high	35 Å²	35	56.1 Å²	56.1	16%	0.162	34%	0.336	C	S	.	.			trans	-86.2	112.2	173.2	-172	-115.2	0	0	0	108.9	W25 N46 S47 G48 S49	W25-H44 AromaticContact CD1-CD2 3.88Å; W25-H44 HydrophobicContact CD2-CB 3.65Å; W25-H44 AromaticContact CE2-CD2 3.79Å; W25-H44 AromaticContact CE2-CG 3.97Å; W25-H44 HydrophobicContact CE3-CB 3.57Å; W25-H44 HydrophobicContact CG-CB 4.46Å; W25-H44 HydrophobicContact CH2-CB 3.62Å; W25-H44 HydrophobicContact CZ2-CB 3.68Å; W25-H44 HydrophobicContact CZ3-CB 3.57Å; W25-H44 VanDerWaalsContact CZ3-N 3.35Å; W25-H44 AromaticContact NE1-CD2 3.68Å; H44-N46 PolarHBondContact O-N 3.48Å; H44-N46 VanDerWaalsContact O-N 3.17Å; H44-S47 WeakPolarHBondContact CB-OG 3.35Å; H44-S47 PolarHBondContact ND1-N 3.07Å; H44-S47 PolarHBondContact ND1-OG 2.92Å; H44-S47 PolarHBondContact O-N 2.83Å; H44-G48 WeakPolarHBondContact O-CA 3.48Å; H44-G48 PolarHBondContact O-N 3.12Å; H44-S49 PolarHBondContact N-O 3.08Å
45	P	97.5	Very high	96.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-25.9	-168.8	-24.2	36.7	0	0	0	113.9	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.85Å; F21-P45 HydrophobicContact CD1-CG 4.39Å; F21-P45 HydrophobicContact CD2-CB 4.39Å; F21-P45 HydrophobicContact CD2-CG 4.05Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 4.04Å; F21-P45 HydrophobicContact CE2-CB 4.07Å; F21-P45 HydrophobicContact CE2-CG 3.63Å; F21-P45 HydrophobicContact CG-CB 4.31Å; F21-P45 HydrophobicContact CG-CG 4.43Å; F21-P45 HydrophobicContact CZ-CB 3.62Å; F21-P45 HydrophobicContact CZ-CG 3.64Å; F21-P45 WeakPolarHBondContact O-CG 3.15Å; Y24-P45 WeakPolarHBondContact O-CD 3.32Å; I43-P45 VanDerWaalsContact O-CD 3.31Å; I43-P45 WeakPolarHBondContact O-CD 2.96Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.33Å; P45-K66 WeakPolarHBondContact O-CE 3.43Å
46	N	97.3	Very high	97.1	Very high	91 Å²	91	54.5 Å²	54.5	49%	0.487	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-48	177.2	-170	30.4	0	0	0	113	T22 H44 K66	T22-N46 WeakPolarHBondContact O-CB 2.93Å; H44-N46 PolarHBondContact O-N 3.48Å; H44-N46 VanDerWaalsContact O-N 3.17Å; N46-K66 WeakPolarHBondContact O-CE 3.36Å; N46-K66 PolarHBondContact O-NZ 2.81Å
47	S	97.3	Very high	97.2	Very high	70 Å²	70	57.3 Å²	57.3	49%	0.49	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-17.1	-175.2	58.8	0	0	0	0	113.5	H44 S49	H44-S47 WeakPolarHBondContact CB-OG 3.35Å; H44-S47 PolarHBondContact ND1-N 3.07Å; H44-S47 PolarHBondContact ND1-OG 2.92Å; H44-S47 PolarHBondContact O-N 2.83Å; S47-S49 WeakPolarHBondContact CB-OG 3.27Å; S47-S49 PolarHBondContact O-N 3.43Å; S47-S49 WeakPolarHBondContact OG-CB 3.2Å; S47-S49 PolarHBondContact OG-N 3.32Å; S47-S49 PolarHBondContact OG-OG 2.94Å
48	G	96.8	Very high	97.2	Very high	37 Å²	37	57.1 Å²	57.1	38%	0.381	31%	0.306	S	S	.	.			trans	70.5	6	-170.5	0	0	0	0	0	113.4	H44 T50	H44-G48 WeakPolarHBondContact O-CA 3.48Å; H44-G48 PolarHBondContact O-N 3.12Å; G48-T50 PolarHBondContact O-N 3.26Å
49	S	98	Very high	97.1	Very high	59 Å²	59	57.7 Å²	57.7	41%	0.413	31%	0.308	S	S	.	.			trans	-61.4	134.9	177	-56	0	0	0	0	109.7	W25 I43 H44 S47	W25-S49 VanDerWaalsContact CZ3-O 3.25Å; W25-S49 WeakPolarHBondContact CZ3-O 3.21Å; I43-S49 CarbonylContact C-O 3.59Å; I43-S49 WeakPolarHBondContact CA-O 3.31Å; H44-S49 PolarHBondContact N-O 3.08Å; S47-S49 WeakPolarHBondContact CB-OG 3.27Å; S47-S49 PolarHBondContact O-N 3.43Å; S47-S49 WeakPolarHBondContact OG-CB 3.2Å; S47-S49 PolarHBondContact OG-N 3.32Å; S47-S49 PolarHBondContact OG-OG 2.94Å
50	T	98.3	Very high	97.1	Very high	62 Å²	62	53.9 Å²	53.9	38%	0.38	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.8	-179.7	51.4	0	0	0	0	110.8	M42 I43 G48 Y52 L62	M42-T50 VanDerWaalsContact O-CA 3.32Å; M42-T50 WeakPolarHBondContact O-CA 3.25Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.66Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; G48-T50 PolarHBondContact O-N 3.26Å; T50-Y52 HydrophobicContact CG2-CE2 4.38Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; T50-L62 HydrophobicContact CG2-CB 4.07Å
51	N	98	Very high	97.1	Very high	83 Å²	83	57.2 Å²	57.2	44%	0.444	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.4	165.7	-168.7	22.9	0	0	0	108.8	W39 G41 M42	W39-N51 HydrophobicContact CH2-CB 4.33Å; G41-N51 CarbonylContact C-O 3.5Å; G41-N51 WeakPolarHBondContact CA-O 3.06Å; M42-N51 HydrophobicContact CE-CB 3.97Å; M42-N51 HydrophobicContact CG-CB 4.12Å; M42-N51 PolarHBondContact N-O 2.91Å; M42-N51 PolarHBondContact O-N 3.2Å
52	Y	98.3	Very high	97.1	Very high	41 Å²	41	57.6 Å²	57.6	16%	0.161	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.1	-174.7	-66	-90.1	0	0	0	110.6	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.38Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.31Å; Y52-K57 HydrophobicContact CG-CG 4.47Å; Y52-A60 HydrophobicContact CD1-CB 4.48Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.39Å; Y52-L62 HydrophobicContact CE1-CD1 4Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.88Å
53	N	97.4	Very high	97.1	Very high	46 Å²	46	58.8 Å²	58.8	25%	0.246	33%	0.326	C	S	.	.			trans	-72.3	133.1	157	-177.7	-25.7	0	0	0	108.5	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.43Å; W39-N53 PolarHBondContact O-ND2 3.45Å; I40-N53 PolarHBondContact O-N 3.44Å; N53-K55 PolarHBondContact O-N 3.15Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4.02Å; N53-F56 PolarHBondContact O-N 3.24Å; N53-K57 PolarHBondContact O-N 3.36Å; N53-K57 VanDerWaalsContact O-N 3.15Å
54	E	96.4	Very high	97.1	Very high	132 Å²	132	60.5 Å²	60.5	62%	0.617	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.1	-177.5	-69.3	-60.3	146.3	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 3.07Å; E54-K57 IonicContact OE1-NZ 2.8Å; E54-K57 PolarHBondContact OE1-NZ 2.92Å; E54-K57 VanDerWaalsContact OE2-CD 3.27Å; E54-K57 WeakPolarHBondContact OE2-CD 3.45Å; E54-K57 IonicContact OE2-NZ 3.36Å; E54-K57 PolarHBondContact OE2-NZ 2.89Å
55	K	94	Very high	97	Very high	146 Å²	146	61.3 Å²	61.3	64%	0.635	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.8	174.8	-70.3	-176.4	177.6	-178.7	0	114.1	E38 N53	E38-K55 IonicContact OE1-NZ 3.6Å; E38-K55 PolarHBondContact OE1-NZ 2.89Å; N53-K55 PolarHBondContact O-N 3.15Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å
56	F	95.6	Very high	96.9	Very high	11 Å²	11	66.4 Å²	66.4	5%	0.048	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-8.4	-172	-62	-82.6	0	0	0	113.3	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 3.96Å; K30-F56 HydrophobicContact CD-CZ 4.06Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.29Å; I40-F56 HydrophobicContact CB-CD2 4.33Å; I40-F56 HydrophobicContact CB-CG 4.3Å; I40-F56 HydrophobicContact CG1-CD1 4.2Å; I40-F56 HydrophobicContact CG1-CD2 4.22Å; I40-F56 HydrophobicContact CG1-CE1 4.22Å; I40-F56 HydrophobicContact CG1-CE2 4.23Å; I40-F56 HydrophobicContact CG1-CG 4.19Å; I40-F56 HydrophobicContact CG1-CZ 4.23Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.37Å; I40-F56 HydrophobicContact CG2-CD2 4.44Å; I40-F56 HydrophobicContact CG2-CG 3.96Å; N53-F56 HydrophobicContact CB-CD2 4.02Å; N53-F56 PolarHBondContact O-N 3.24Å; E54-F56 PolarHBondContact O-N 3.07Å; F56-S58 PolarHBondContact O-N 2.92Å; F56-S58 VanDerWaalsContact O-N 3.13Å; F56-K59 PolarHBondContact O-N 3.13Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 2.8Å
57	K	94.9	Very high	96.9	Very high	115 Å²	115	67.4 Å²	67.4	50%	0.5	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.7	-173.7	-167.3	176.3	-169.9	172.6	0	114.5	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.47Å; N53-K57 PolarHBondContact O-N 3.36Å; N53-K57 VanDerWaalsContact O-N 3.15Å; E54-K57 IonicContact OE1-NZ 2.8Å; E54-K57 PolarHBondContact OE1-NZ 2.92Å; E54-K57 VanDerWaalsContact OE2-CD 3.27Å; E54-K57 WeakPolarHBondContact OE2-CD 3.45Å; E54-K57 IonicContact OE2-NZ 3.36Å; E54-K57 PolarHBondContact OE2-NZ 2.89Å
58	S	94.6	Very high	96.8	Very high	113 Å²	113	65.8 Å²	65.8	79%	0.79	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-15.9	176.7	59	0	0	0	0	114.1	F56	F56-S58 PolarHBondContact O-N 2.92Å; F56-S58 VanDerWaalsContact O-N 3.13Å
59	K	95.1	Very high	96.9	Very high	47 Å²	47	66 Å²	66	20%	0.204	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-35.7	-176.2	-84.7	-166.8	171.3	-172.3	0	113.5	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.13Å; K59-L75 WeakPolarHBondContact O-CA 3.32Å; K59-S76 PolarHBondContact O-N 2.8Å; K59-D82 IonicContact NZ-OD1 3.44Å; K59-D82 PolarHBondContact NZ-OD1 2.81Å; K59-D82 IonicContact NZ-OD2 2.67Å; K59-D82 PolarHBondContact NZ-OD2 3.36Å
60	A	97.6	Very high	96.9	Very high	3 Å²	3	63.7 Å²	63.7	3%	0.025	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	136.4	-172.7	0	0	0	0	0	111.2	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.79Å; Y52-A60 HydrophobicContact CD1-CB 4.48Å; Y52-A60 HydrophobicContact CE1-CB 4.24Å; Y52-A60 WeakPolarHBondContact CE1-O 3.39Å; F56-A60 HydrophobicContact CB-CB 4.31Å; F56-A60 PolarHBondContact O-N 2.8Å; A60-M73 HydrophobicContact CB-CG 4.48Å; A60-M73 HydrophobicContact CB-SD 4.4Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.25Å; A60-L75 HydrophobicContact CB-CD2 3.92Å
61	T	98.3	Very high	96.9	Very high	69 Å²	69	60.7 Å²	60.7	42%	0.423	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	119.5	169.6	-61.9	0	0	0	0	108.9	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T61-M73 WeakPolarHBondContact O-CA 3.17Å; T61-Q74 PolarHBondContact N-O 3.06Å; T61-Q74 PolarHBondContact O-N 3.38Å
62	L	98.5	Very high	96.9	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.047	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133	179.1	-53	-177.1	0	0	0	110.5	W28 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.05Å; I43-L62 HydrophobicContact CB-CB 4.05Å; I43-L62 HydrophobicContact CB-CD1 4.27Å; I43-L62 HydrophobicContact CD1-CB 4.1Å; I43-L62 HydrophobicContact CG2-CB 4.27Å; T50-L62 HydrophobicContact CG2-CB 4.07Å; Y52-L62 HydrophobicContact CE1-CD1 4Å; Y52-L62 HydrophobicContact CE1-CG 3.67Å; Y52-L62 PolarHBondContact OH-N 2.88Å; L62-Y72 WeakPolarHBondContact CA-O 3.5Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.04Å
63	T	98.4	Very high	96.9	Very high	61 Å²	61	57.3 Å²	57.3	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.5	176.3	56.3	0	0	0	0	110.6	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.35Å; T63-Y72 PolarHBondContact N-O 3.15Å; T63-Y72 PolarHBondContact O-N 2.97Å
64	V	98.1	Very high	96.9	Very high	40 Å²	40	59 Å²	59	24%	0.242	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.7	177.5	-67.8	0	0	0	0	110.9	F21 I43 P45 A71	F21-V64 HydrophobicContact CE1-CB 4.49Å; F21-V64 HydrophobicContact CZ-CB 4.45Å; F21-V64 HydrophobicContact CZ-CG1 4.11Å; I43-V64 HydrophobicContact CD1-CG1 3.8Å; I43-V64 HydrophobicContact CD1-CG2 4.37Å; I43-V64 HydrophobicContact CG1-CG1 3.96Å; I43-V64 HydrophobicContact CG2-CG1 3.83Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.33Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
65	D	97.4	Very high	96.9	Very high	53 Å²	53	52.9 Å²	52.9	28%	0.283	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	105.4	163.4	174.1	8.6	0	0	0	108.1	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.15Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.84Å; D65-S67 PolarHBondContact OD2-OG 2.78Å; D65-S68 PolarHBondContact OD1-N 2.91Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 2.91Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; D65-S69 PolarHBondContact O-N 2.84Å; D65-S69 VanDerWaalsContact O-N 3.15Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.89Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å
66	K	95.6	Very high	97	Very high	107 Å²	107	47.5 Å²	47.5	47%	0.465	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-33.2	-179.6	-61.1	-178.9	-177	-176	0	111.9	P45 N46 S69	P45-K66 WeakPolarHBondContact O-CE 3.43Å; N46-K66 WeakPolarHBondContact O-CE 3.36Å; N46-K66 PolarHBondContact O-NZ 2.81Å; K66-S69 PolarHBondContact O-N 3.41Å
67	S	95.6	Very high	96.9	Very high	111 Å²	111	50.7 Å²	50.7	78%	0.776	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-38	-174.5	72.5	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.15Å; D65-S67 PolarHBondContact OD1-N 2.81Å; D65-S67 PolarHBondContact OD1-OG 2.84Å; D65-S67 PolarHBondContact OD2-OG 2.78Å
68	S	97	Very high	96.9	Very high	36 Å²	36	45.8 Å²	45.8	25%	0.252	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	0	177.3	66.2	0	0	0	0	113.8	D65 T70	D65-S68 PolarHBondContact OD1-N 2.91Å; D65-S68 VanDerWaalsContact OD2-CB 3.3Å; D65-S68 WeakPolarHBondContact OD2-CB 2.91Å; D65-S68 PolarHBondContact OD2-OG 2.87Å; S68-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-OG1 2.98Å; S68-T70 WeakPolarHBondContact OG-CB 3.31Å; S68-T70 PolarHBondContact OG-OG1 2.85Å
69	S	97.3	Very high	96.8	Very high	43 Å²	43	43.5 Å²	43.5	30%	0.301	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	43.2	-171.7	-61.2	0	0	0	0	112.7	A16 F21 D65 K66	A16-S69 PolarHBondContact N-O 3.18Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 PolarHBondContact O-N 2.84Å; D65-S69 VanDerWaalsContact O-N 3.15Å; K66-S69 PolarHBondContact O-N 3.41Å
70	T	98.3	Very high	96.6	Very high	9 Å²	9	46.4 Å²	46.4	6%	0.055	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.8	-174.7	-51.6	0	0	0	0	110.8	C14 D65 S68 Y72	C14-T70 CarbonylContact O-C 3.54Å; C14-T70 WeakPolarHBondContact O-CA 3.47Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-N 2.86Å; S68-T70 PolarHBondContact O-OG1 2.98Å; S68-T70 WeakPolarHBondContact OG-CB 3.31Å; S68-T70 PolarHBondContact OG-OG1 2.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.4Å
71	A	98.3	Very high	96.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	149.3	166.2	0	0	0	0	0	110.1	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.45Å; C14-A71 HydrophobicContact CB-CB 4.49Å; C14-A71 PolarHBondContact N-O 2.82Å; C14-A71 PolarHBondContact O-N 3.17Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 4.1Å; M26-A71 HydrophobicContact CB-CB 4.23Å; M26-A71 HydrophobicContact CG-CB 3.69Å; W28-A71 HydrophobicContact CZ2-CB 4.21Å; V64-A71 HydrophobicContact CG1-CB 4.17Å
72	Y	98.4	Very high	95.9	Very high	53 Å²	53	49.7 Å²	49.7	21%	0.208	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.1	177	-56.1	-89.6	0	0	0	110.8	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.39Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 HydrophobicContact CG-CD1 4.37Å; L12-Y72 WeakPolarHBondContact O-CA 3.32Å; L12-Y72 WeakPolarHBondContact O-CB 3.4Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.5Å; T63-Y72 PolarHBondContact N-O 3.15Å; T63-Y72 PolarHBondContact O-N 2.97Å; D65-Y72 HydrophobicContact CB-CE2 3.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.3Å; T70-Y72 HydrophobicContact CG2-CD2 4.36Å; T70-Y72 HydrophobicContact CG2-CE1 3.72Å; T70-Y72 HydrophobicContact CG2-CE2 3.77Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.4Å
73	M	98.3	Very high	95.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.3	167.9	178.3	173.2	69.4	0	0	108.8	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.69Å; L12-M73 PolarHBondContact N-O 2.81Å; L12-M73 PolarHBondContact O-N 2.8Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.72Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.68Å; W28-M73 HydrophobicContact CE3-SD 4.12Å; W28-M73 HydrophobicContact CG-CB 4.31Å; W28-M73 HydrophobicContact CG-SD 4.04Å; W28-M73 HydrophobicContact CH2-CB 4.01Å; W28-M73 HydrophobicContact CZ2-CB 3.91Å; W28-M73 HydrophobicContact CZ3-CB 3.99Å; W28-M73 HydrophobicContact CZ3-CE 4.23Å; I40-M73 HydrophobicContact CB-SD 4.48Å; I40-M73 HydrophobicContact CD1-CE 3.7Å; I40-M73 HydrophobicContact CD1-SD 3.66Å; I40-M73 HydrophobicContact CG2-SD 3.81Å; A60-M73 HydrophobicContact CB-CG 4.48Å; A60-M73 HydrophobicContact CB-SD 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.17Å; L62-M73 HydrophobicContact CD2-CB 3.74Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.04Å; M73-L75 HydrophobicContact CE-CD1 3.96Å; M73-L75 HydrophobicContact CE-CD2 4.32Å; M73-L75 HydrophobicContact CE-CG 4.1Å; M73-L75 HydrophobicContact CG-CD2 4.4Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 4.18Å; M73-L75 HydrophobicContact SD-CG 4.43Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.14Å; M73-Y86 HydrophobicContact CE-CG 4.35Å
74	Q	98	Very high	95.5	Very high	82 Å²	82	52.1 Å²	52.1	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	125.2	168.7	-178.1	172	-16.3	0	0	109	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.56Å; V10-Q74 VanDerWaalsContact O-CA 3.31Å; V10-Q74 WeakPolarHBondContact O-CA 3.38Å; A60-Q74 CarbonylContact C-O 3.56Å; A60-Q74 WeakPolarHBondContact CA-O 3.25Å; T61-Q74 PolarHBondContact N-O 3.06Å; T61-Q74 PolarHBondContact O-N 3.38Å
75	L	96.6	Very high	95.4	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128	171.4	-66.5	168.5	0	0	0	108.5	S9 V10 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.54Å; S9-L75 WeakPolarHBondContact CA-O 3.44Å; S9-L75 WeakPolarHBondContact CB-O 3.35Å; V10-L75 HydrophobicContact CG1-CB 4.01Å; V10-L75 HydrophobicContact CG1-CD1 4.33Å; V10-L75 PolarHBondContact N-O 3.18Å; V10-L75 PolarHBondContact O-N 3Å; K59-L75 WeakPolarHBondContact O-CA 3.32Å; A60-L75 HydrophobicContact CB-CD2 3.92Å; M73-L75 HydrophobicContact CE-CD1 3.96Å; M73-L75 HydrophobicContact CE-CD2 4.32Å; M73-L75 HydrophobicContact CE-CG 4.1Å; M73-L75 HydrophobicContact CG-CD2 4.4Å; M73-L75 HydrophobicContact CG-CG 4.32Å; M73-L75 HydrophobicContact SD-CD2 4.18Å; M73-L75 HydrophobicContact SD-CG 4.43Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å
76	S	95.4	Very high	95.4	Very high	32 Å²	32	53.6 Å²	53.6	22%	0.224	32%	0.316	C	S	.	.			trans	-110.8	154.7	-177.6	-55.9	0	0	0	0	111.4	K59 L78	K59-S76 PolarHBondContact O-N 2.8Å; S76-L78 PolarHBondContact O-N 3.33Å
77	S	93.9	Very high	95.5	Very high	78 Å²	78	53.5 Å²	53.5	55%	0.545	31%	0.314	S	S	.	.	S	Bend	trans	54.1	51.6	175.3	-55.1	0	0	0	0	112.8	A8	A8-S77 PolarHBondContact O-N 3.01Å
78	L	93.7	Very high	95.6	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.068	29%	0.292	C	S	.	.			trans	-62.9	137.7	-173.7	-68.3	171.3	0	0	0	112.4	V4 G7 A8 V10 L75 S76 D82	V4-L78 HydrophobicContact CB-CD1 4.33Å; V4-L78 HydrophobicContact CG2-CD1 3.41Å; V4-L78 VanDerWaalsContact CG2-CD1 3.41Å; G7-L78 PolarHBondContact N-O 3.08Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.4Å; A8-L78 PolarHBondContact O-N 2.94Å; V10-L78 HydrophobicContact CB-CD1 3.99Å; V10-L78 HydrophobicContact CG1-CD1 3.73Å; V10-L78 HydrophobicContact CG1-CD2 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.7Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; S76-L78 PolarHBondContact O-N 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.7Å
79	T	92.9	Very high	95.5	Very high	64 Å²	64	51.2 Å²	51.2	39%	0.393	30%	0.3	S	S	.	.			trans	-118.1	172.6	173	66.1	0	0	0	0	110.7	E81 D82	T79-E81 PolarHBondContact O-N 2.8Å; T79-D82 PolarHBondContact N-OD2 3.29Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 3.01Å; T79-D82 PolarHBondContact OG1-OD2 3.47Å
80	S	90.5	Very high	95.5	Very high	109 Å²	109	51.8 Å²	51.8	76%	0.762	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-56.6	-30.2	174.8	52.4	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.93Å; S80-S83 WeakPolarHBondContact O-CB 3.34Å; S80-S83 PolarHBondContact O-N 2.8Å
81	E	89.6	Confident	94.9	Very high	127 Å²	127	59.2 Å²	59.2	59%	0.593	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.2	175.1	-62.4	-176	171.8	0	0	113.2	K30 R32 T79 S83	K30-E81 WeakPolarHBondContact CE-O 3.37Å; K30-E81 PolarHBondContact NZ-O 3.35Å; R32-E81 VanDerWaalsContact CZ-O 3.23Å; R32-E81 PolarHBondContact NE-O 3.17Å; R32-E81 PolarHBondContact NH2-O 2.88Å; T79-E81 PolarHBondContact O-N 2.8Å; E81-S83 VanDerWaalsContact C-N 3.32Å
82	D	92.5	Very high	94.8	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.07	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-86.4	-4.7	177	-60.1	-44	0	0	0	113.2	K30 K59 L78 T79 S80 A84 Y86	K30-D82 IonicContact NZ-OD1 3.26Å; K30-D82 PolarHBondContact NZ-OD1 2.95Å; K59-D82 IonicContact NZ-OD1 3.44Å; K59-D82 PolarHBondContact NZ-OD1 2.81Å; K59-D82 IonicContact NZ-OD2 2.67Å; K59-D82 PolarHBondContact NZ-OD2 3.36Å; L78-D82 HydrophobicContact CD2-CB 3.7Å; T79-D82 PolarHBondContact N-OD2 3.29Å; T79-D82 WeakPolarHBondContact O-CB 3.43Å; T79-D82 PolarHBondContact O-N 3.01Å; T79-D82 PolarHBondContact OG1-OD2 3.47Å; S80-D82 PolarHBondContact O-N 2.93Å; D82-A84 PolarHBondContact O-N 3.32Å; D82-A84 VanDerWaalsContact O-N 3.14Å; D82-Y86 WeakPolarHBondContact O-CE2 3.44Å; D82-Y86 PolarHBondContact O-OH 2.6Å
83	S	93.3	Very high	94.6	Very high	95 Å²	95	62.7 Å²	62.7	66%	0.664	36%	0.361	S	S	*	.			trans	-68	110.1	171.1	-169	0	0	0	0	110.3	S80 E81	S80-S83 WeakPolarHBondContact O-CB 3.34Å; S80-S83 PolarHBondContact O-N 2.8Å; E81-S83 VanDerWaalsContact C-N 3.32Å
84	A	94.9	Very high	94.3	Very high	26 Å²	26	66.2 Å²	66.2	22%	0.215	38%	0.381	C	S	.	.	S	Bend	trans	-164.9	168.5	-172.8	0	0	0	0	0	110.5	K30 Q31 R32 D82 Y86	K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 HydrophobicContact CG-CB 3.44Å; K30-A84 VanDerWaalsContact CG-CB 3.44Å; Q31-A84 WeakPolarHBondContact O-CA 3.37Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; R32-A84 HydrophobicContact CG-CB 4.11Å; D82-A84 PolarHBondContact O-N 3.32Å; D82-A84 VanDerWaalsContact O-N 3.14Å; A84-Y86 HydrophobicContact CB-CE2 3.96Å
85	V	96.2	Very high	94.1	Very high	75 Å²	75	65.2 Å²	65.2	46%	0.455	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.7	161.3	-171.8	0	0	0	0	108.3	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.63Å; Q31-V85 PolarHBondContact O-N 3.15Å; V85-Y87 HydrophobicContact CB-CE2 3.9Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.92Å; V85-Y87 HydrophobicContact CG1-CE2 3.59Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.47Å
86	Y	97.2	Very high	94	Very high	49 Å²	49	69.1 Å²	69.1	19%	0.192	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.9	178.4	-68.4	-89.4	0	0	0	109.5	L12 V29 K30 I40 M73 L75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.03Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; K30-Y86 HydrophobicContact CB-CD1 4.19Å; K30-Y86 HydrophobicContact CB-CE1 3.95Å; K30-Y86 HydrophobicContact CD-CE1 4.02Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.78Å; I40-Y86 HydrophobicContact CD1-CD1 3.76Å; I40-Y86 HydrophobicContact CD1-CE1 3.83Å; M73-Y86 HydrophobicContact CE-CD1 3.64Å; M73-Y86 HydrophobicContact CE-CE1 4.14Å; M73-Y86 HydrophobicContact CE-CG 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 4.29Å; L75-Y86 HydrophobicContact CD1-CE1 3.6Å; L75-Y86 HydrophobicContact CD1-CE2 4.26Å; D82-Y86 WeakPolarHBondContact O-CE2 3.44Å; D82-Y86 PolarHBondContact O-OH 2.6Å; A84-Y86 HydrophobicContact CB-CE2 3.96Å
87	Y	97.3	Very high	93.9	Very high	106 Å²	106	71.6 Å²	71.6	42%	0.416	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	148	-179.3	-60.3	-82.5	0	0	0	110.2	W28 V29 Q31 V85	W28-Y87 WeakPolarHBondContact CA-O 3.37Å; V29-Y87 PolarHBondContact N-O 2.94Å; V29-Y87 PolarHBondContact O-N 3.47Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.77Å; Q31-Y87 PolarHBondContact OE1-OH 3.42Å; V85-Y87 HydrophobicContact CB-CE2 3.9Å; V85-Y87 HydrophobicContact CG1-CD2 4.31Å; V85-Y87 HydrophobicContact CG1-CE1 3.92Å; V85-Y87 HydrophobicContact CG1-CE2 3.59Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.47Å
88	C	97.3	Very high	93.9	Very high	49 Å²	49	71.1 Å²	71.1	33%	0.331	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.1	165.2	62.6	0	0	0	0	109.4	C14 M26 H27 W28	C14-C88 HydrophobicContact CB-CB 3.52Å; C14-C88 WeakPolarHBondContact CB-SG 3.4Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.63Å; M26-C88 HydrophobicContact SD-CB 3.86Å; H27-C88 WeakPolarHBondContact O-CA 3.3Å; W28-C88 HydrophobicContact CD2-CB 4.29Å; W28-C88 HydrophobicContact CE3-CB 4.12Å; W28-C88 HydrophobicContact CH2-CB 4.28Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å
89	A	96.2	Very high	93.9	Very high	49 Å²	49	75.6 Å²	75.6	41%	0.405	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	143.4	176.5	0	0	0	0	0	110.3	M26 H27	M26-A89 VanDerWaalsContact SD-C 3.57Å; H27-A89 PolarHBondContact N-O 3.35Å; H27-A89 PolarHBondContact O-N 3.42Å; H27-A89 VanDerWaalsContact O-N 3.12Å
90	P	95.6	Very high	94	Very high	55 Å²	55	76.6 Å²	76.6	36%	0.357	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	154.2	162.4	29.8	-32.5	0	0	0	109.9	Y19 W25	Y19-P90 HydrophobicContact CE1-CB 4.37Å; Y19-P90 HydrophobicContact CE1-CG 4.09Å; Y19-P90 HydrophobicContact CE2-CB 3.99Å; W25-P90 CarbonylContact O-C 3.57Å; W25-P90 WeakPolarHBondContact O-CA 3.36Å
91	E	87.1	Confident	94.3	Very high	166 Å²	166	73.6 Å²	73.6	78%	0.776	41%	0.407	S	S	*	.			trans	-56.2	0	161	-171.8	176.5	-167.6	0	0	111.8	Y24 W25	Y24-E91 WeakPolarHBondContact CD1-O 3.03Å; W25-E91 HydrophobicContact CB-CB 4.29Å; W25-E91 VanDerWaalsContact CD1-OE2 3.22Å; W25-E91 PolarHBondContact O-N 2.71Å

Retrieved 91 of 91 residues in 47.2 ms (Link to these results)

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