X5J4V5_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4V5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 91 aa.

						>X5J4V5_MOUSE|X5J4V5
ELVKPGASVKICCKASGYSFTGYYMHWVKQSHGKSLEWIGYIYPYNGFSSYNQKFKGKATLTVDKSSSTAYMELRSQTSEDSAIYCWARFT
					

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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	E	59.3	Low	81.8	Confident	211 Å²	211	97.4 Å²	97.4	99%	0.986	54%	0.538	S	S	*	.				0	134.3	0	-166.5	173.8	172.4	0	0	108.2
2	L	68.2	Low	82.6	Confident	184 Å²	184	95.8 Å²	95.8	96%	0.963	54%	0.537	S	S	*	.			trans	-86.4	115.7	176	-93.4	147.5	0	0	0	108.1
3	V	75.2	Confident	83.2	Confident	53 Å²	53	88.4 Å²	88.4	32%	0.321	50%	0.495	S	S	.	.			trans	-109.6	140.6	-172.2	-150.3	0	0	0	0	109.2	A7 V9	V3-A7 HydrophobicContact CG1-CB 3.88Å; V3-V9 HydrophobicContact CG1-CB 4.3Å; V3-V9 HydrophobicContact CG2-CB 3.9Å; V3-V9 HydrophobicContact CG2-CG2 3.76Å
4	K	79.5	Confident	83.8	Confident	171 Å²	171	92.3 Å²	92.3	74%	0.743	50%	0.504	S	S	*	.			trans	-66.6	144.8	176.1	-67.3	-178.4	-178.5	178.7	0	110.4	G6 A7	K4-G6 PolarHBondContact O-N 3.22Å; K4-A7 WeakPolarHBondContact O-CB 3.33Å; K4-A7 PolarHBondContact O-N 3.27Å; K4-A7 VanDerWaalsContact O-N 3.15Å
5	P	80.2	Confident	84.3	Confident	115 Å²	115	86.7 Å²	86.7	75%	0.747	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	138.7	170.7	-24.4	33.7	0	0	0	111.4	A7 Q77	P5-A7 VanDerWaalsContact C-N 3.26Å; P5-A7 PolarHBondContact O-N 3.12Å; P5-Q77 CarbonylContact C-O 3.39Å; P5-Q77 WeakPolarHBondContact CA-O 3.36Å
6	G	82.9	Confident	84.7	Confident	53 Å²	53	87.6 Å²	87.6	55%	0.546	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-15.3	-177.9	0	0	0	0	0	115.2	K4 Q77	K4-G6 PolarHBondContact O-N 3.22Å; G6-Q77 PolarHBondContact N-O 2.58Å
7	A	88.4	Confident	84.9	Confident	37 Å²	37	87.7 Å²	87.7	31%	0.306	52%	0.515	S	S	.	.			trans	-74.8	163.7	175.3	0	0	0	0	0	111.7	V3 K4 P5 S76 Q77	V3-A7 HydrophobicContact CG1-CB 3.88Å; K4-A7 WeakPolarHBondContact O-CB 3.33Å; K4-A7 PolarHBondContact O-N 3.27Å; K4-A7 VanDerWaalsContact O-N 3.15Å; P5-A7 VanDerWaalsContact C-N 3.26Å; P5-A7 PolarHBondContact O-N 3.12Å; A7-S76 PolarHBondContact O-N 2.92Å; A7-Q77 WeakPolarHBondContact O-CB 3.36Å; A7-Q77 VanDerWaalsContact O-CG 3.23Å; A7-Q77 WeakPolarHBondContact O-CG 3.33Å; A7-Q77 PolarHBondContact O-N 2.9Å
8	S	90.2	Very high	85	Confident	63 Å²	63	86.2 Å²	86.2	44%	0.441	50%	0.5	S	S	.	.			trans	-96.3	144.6	169.9	-61.3	0	0	0	0	110	L74	S8-L74 CarbonylContact C-O 3.55Å; S8-L74 VanDerWaalsContact CA-O 3.24Å; S8-L74 WeakPolarHBondContact CA-O 3.34Å
9	V	91.3	Very high	85.3	Confident	16 Å²	16	85.6 Å²	85.6	10%	0.097	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.5	172.8	68.2	0	0	0	0	110	V3 E73 L74 Q77	V3-V9 HydrophobicContact CG1-CB 4.3Å; V3-V9 HydrophobicContact CG2-CB 3.9Å; V3-V9 HydrophobicContact CG2-CG2 3.76Å; V9-E73 CarbonylContact O-C 3.52Å; V9-E73 WeakPolarHBondContact O-CA 3.46Å; V9-L74 HydrophobicContact CG1-CB 3.93Å; V9-L74 HydrophobicContact CG1-CD1 4.17Å; V9-L74 PolarHBondContact N-O 3.21Å; V9-L74 PolarHBondContact O-N 3.24Å; V9-Q77 HydrophobicContact CG1-CG 4.14Å
10	K	92.3	Very high	85.5	Confident	126 Å²	126	81.7 Å²	81.7	55%	0.548	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.4	175.8	-169.1	176.3	-177.6	-179.2	0	109.4	Y71 M72	K10-Y71 HydrophobicContact CD-CD1 4.38Å; K10-Y71 VanDerWaalsContact CE-CD1 3.44Å; K10-Y71 HydrophobicContact CG-CD1 4.4Å; K10-M72 WeakPolarHBondContact CA-O 3.45Å
11	I	92.1	Very high	85.9	Confident	42 Å²	42	80 Å²	80	22%	0.215	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	135.8	179.1	-50.3	-178.7	0	0	0	107.5	W27 Y71 M72 L74 Y85	I11-W27 HydrophobicContact CB-CH2 4.46Å; I11-W27 HydrophobicContact CB-CZ3 4.25Å; I11-W27 HydrophobicContact CG2-CH2 4.24Å; I11-W27 HydrophobicContact CG2-CZ3 3.92Å; I11-Y71 CarbonylContact O-C 3.46Å; I11-Y71 VanDerWaalsContact O-CA 3.23Å; I11-Y71 WeakPolarHBondContact O-CA 3.45Å; I11-M72 HydrophobicContact CD1-CE 3.83Å; I11-M72 PolarHBondContact N-O 3.33Å; I11-M72 PolarHBondContact O-N 2.75Å; I11-L74 HydrophobicContact CD1-CD1 4.3Å; I11-Y85 HydrophobicContact CD1-CD2 3.77Å; I11-Y85 HydrophobicContact CD1-CG 3.73Å
12	C	92.4	Very high	87.4	Confident	78 Å²	78	71.8 Å²	71.8	53%	0.527	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.8	-179.7	70.3	0	0	0	0	112.2	T69 A70 Y71	C12-T69 HydrophobicContact CB-CG2 4.07Å; C12-A70 CarbonylContact C-O 3.53Å; C12-A70 WeakPolarHBondContact CA-O 3.41Å; C12-Y71 HydrophobicContact CB-CD1 3.34Å; C12-Y71 HydrophobicContact CB-CE1 3.36Å; C12-Y71 HydrophobicContact CB-CG 4.4Å
13	C	89.6	Confident	88.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	112.6	-178.4	166.2	0	0	0	0	109.4	W27 T69 A70 W87	C13-W27 HydrophobicContact CB-CH2 4.16Å; C13-W27 HydrophobicContact CB-CZ2 4.31Å; C13-T69 CarbonylContact O-C 3.59Å; C13-T69 WeakPolarHBondContact O-CA 3.42Å; C13-T69 VanDerWaalsContact O-CG2 3.27Å; C13-T69 WeakPolarHBondContact O-CG2 3.27Å; C13-A70 HydrophobicContact CB-CB 4.23Å; C13-A70 PolarHBondContact N-O 2.83Å; C13-A70 PolarHBondContact O-N 2.75Å; C13-W87 HydrophobicContact CB-CD2 3.59Å; C13-W87 HydrophobicContact CB-CE3 3.12Å; C13-W87 HydrophobicContact CB-CG 4.26Å; C13-W87 HydrophobicContact CB-CH2 3.8Å; C13-W87 HydrophobicContact CB-CZ2 4.23Å; C13-W87 HydrophobicContact CB-CZ3 3.25Å; C13-W87 VanDerWaalsContact SG-CG 3.59Å; C13-W87 VanDerWaalsContact SG-CH2 3.5Å; C13-W87 WeakPolarHBondContact SG-CZ2 2.95Å; C13-W87 VanDerWaalsContact SG-CZ3 3.52Å
14	K	92.4	Very high	89.3	Confident	143 Å²	143	68.1 Å²	68.1	62%	0.622	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.3	172.7	-169.3	173.8	-177.7	178.4	0	110.1	S67	K14-S67 WeakPolarHBondContact CE-O 3.42Å
15	A	90.3	Very high	89.9	Confident	8 Å²	8	60 Å²	60	7%	0.066	37%	0.374	C	S	.	.			trans	-79.1	147.9	172.4	0	0	0	0	0	111	Y18 F20 S68	A15-Y18 HydrophobicContact CB-CE1 4.1Å; A15-Y18 HydrophobicContact CB-CE2 3.97Å; A15-Y18 VanDerWaalsContact CB-OH 3.24Å; A15-Y18 WeakPolarHBondContact CB-OH 3.24Å; A15-F20 HydrophobicContact CB-CB 4.4Å; A15-F20 HydrophobicContact CB-CD2 3.44Å; A15-F20 VanDerWaalsContact CB-CD2 3.44Å; A15-F20 HydrophobicContact CB-CE2 4.09Å; A15-F20 HydrophobicContact CB-CG 4.31Å; A15-S68 PolarHBondContact N-O 3.43Å
16	S	90.6	Very high	90.6	Very high	101 Å²	101	56.1 Å²	56.1	71%	0.706	35%	0.346	S	S	*	.			trans	-150	152.9	172.8	61.2	0	0	0	0	110.3	Y18	S16-Y18 WeakPolarHBondContact O-CD1 3.46Å; S16-Y18 WeakPolarHBondContact O-CE1 3.02Å; S16-Y18 PolarHBondContact O-N 2.82Å
17	G	89.2	Confident	91.2	Very high	90 Å²	90	53.6 Å²	53.6	93%	0.928	32%	0.32	S	S	*	.	S	Bend	trans	78.7	10.3	176.4	0	0	0	0	0	116
18	Y	85.6	Confident	91.4	Very high	61 Å²	61	53 Å²	53	24%	0.239	31%	0.312	C	S	.	.	S	Bend	trans	-156.8	167.7	174.5	59.8	-89.4	0	0	0	112.2	A15 S16 F20 Y23	A15-Y18 HydrophobicContact CB-CE1 4.1Å; A15-Y18 HydrophobicContact CB-CE2 3.97Å; A15-Y18 VanDerWaalsContact CB-OH 3.24Å; A15-Y18 WeakPolarHBondContact CB-OH 3.24Å; S16-Y18 WeakPolarHBondContact O-CD1 3.46Å; S16-Y18 WeakPolarHBondContact O-CE1 3.02Å; S16-Y18 PolarHBondContact O-N 2.82Å; Y18-F20 PolarHBondContact O-N 3.15Å; Y18-Y23 AromaticContact CD2-CD2 3.56Å; Y18-Y23 HydrophobicContact CD2-CD2 3.56Å; Y18-Y23 AromaticContact CD2-CE2 3.75Å; Y18-Y23 HydrophobicContact CD2-CE2 3.75Å; Y18-Y23 AromaticContact CE2-CD2 3.97Å; Y18-Y23 HydrophobicContact CE2-CD2 3.97Å; Y18-Y23 HydrophobicContact CG-CE2 4.34Å
19	S	90.3	Very high	91.6	Very high	75 Å²	75	50.6 Å²	50.6	52%	0.524	29%	0.294	S	S	.	.			trans	-70.4	99.8	174	-175.3	0	0	0	0	110.6	T21 G22 Y23	S19-T21 PolarHBondContact O-N 3.45Å; S19-T21 VanDerWaalsContact O-N 3.16Å; S19-G22 PolarHBondContact O-N 3.35Å; S19-Y23 VanDerWaalsContact O-CD2 3.28Å; S19-Y23 WeakPolarHBondContact O-CD2 3.36Å
20	F	90.6	Very high	91.5	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-53.6	-35.8	-177.3	176.2	-113	0	0	0	113.3	A15 Y18 G22 M25 P44 V63 A70	A15-F20 HydrophobicContact CB-CB 4.4Å; A15-F20 HydrophobicContact CB-CD2 3.44Å; A15-F20 VanDerWaalsContact CB-CD2 3.44Å; A15-F20 HydrophobicContact CB-CE2 4.09Å; A15-F20 HydrophobicContact CB-CG 4.31Å; Y18-F20 PolarHBondContact O-N 3.15Å; F20-G22 VanDerWaalsContact C-N 3.28Å; F20-G22 PolarHBondContact O-N 2.88Å; F20-M25 HydrophobicContact CD2-CE 3.52Å; F20-M25 HydrophobicContact CE2-CE 3.23Å; F20-M25 HydrophobicContact CZ-CE 4.19Å; F20-P44 HydrophobicContact CD1-CB 3.85Å; F20-P44 HydrophobicContact CD1-CG 4.26Å; F20-P44 HydrophobicContact CE1-CB 3.55Å; F20-P44 HydrophobicContact CE1-CG 3.91Å; F20-P44 HydrophobicContact CE2-CG 4.26Å; F20-P44 HydrophobicContact CZ-CB 4.06Å; F20-P44 HydrophobicContact CZ-CG 3.91Å; F20-P44 WeakPolarHBondContact O-CG 3.23Å; F20-V63 HydrophobicContact CE1-CB 4.18Å; F20-V63 HydrophobicContact CE1-CG1 4.42Å; F20-V63 HydrophobicContact CZ-CB 4.19Å; F20-V63 HydrophobicContact CZ-CG1 4.05Å; F20-A70 HydrophobicContact CE2-CB 4.32Å; F20-A70 HydrophobicContact CZ-CB 4.2Å
21	T	92.9	Very high	91.4	Very high	47 Å²	47	48.3 Å²	48.3	29%	0.288	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-76.4	-11.7	-178.5	52.3	0	0	0	0	114	S19 Y43 Y45 K65	S19-T21 PolarHBondContact O-N 3.45Å; S19-T21 VanDerWaalsContact O-N 3.16Å; T21-Y43 WeakPolarHBondContact O-CE2 3.4Å; T21-Y45 WeakPolarHBondContact O-CB 3.33Å; T21-K65 HydrophobicContact CG2-CD 4.26Å
22	G	91.4	Very high	91	Very high	39 Å²	39	53.9 Å²	53.9	40%	0.402	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-88.9	-1.1	-176.8	0	0	0	0	0	115.7	S19 F20	S19-G22 PolarHBondContact O-N 3.35Å; F20-G22 VanDerWaalsContact C-N 3.28Å; F20-G22 PolarHBondContact O-N 2.88Å
23	Y	90.3	Very high	90.4	Very high	67 Å²	67	54.7 Å²	54.7	26%	0.263	33%	0.332	S	S	.	.	S	Bend	trans	-133.4	144.9	-172	-60.2	-80.8	0	0	0	113.2	Y18 S19 P44 R89 T91	Y18-Y23 AromaticContact CD2-CD2 3.56Å; Y18-Y23 HydrophobicContact CD2-CD2 3.56Å; Y18-Y23 AromaticContact CD2-CE2 3.75Å; Y18-Y23 HydrophobicContact CD2-CE2 3.75Å; Y18-Y23 AromaticContact CE2-CD2 3.97Å; Y18-Y23 HydrophobicContact CE2-CD2 3.97Å; Y18-Y23 HydrophobicContact CG-CE2 4.34Å; S19-Y23 VanDerWaalsContact O-CD2 3.28Å; S19-Y23 WeakPolarHBondContact O-CD2 3.36Å; Y23-P44 WeakPolarHBondContact O-CD 3.48Å; Y23-R89 HydrophobicContact CD1-CG 4.04Å; Y23-R89 HydrophobicContact CG-CG 3.85Å; Y23-T91 HydrophobicContact CD1-CG2 4.18Å; Y23-T91 HydrophobicContact CE1-CG2 3.88Å
24	Y	92.7	Very high	90.1	Very high	92 Å²	92	61.7 Å²	61.7	36%	0.361	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	131.1	168.2	-67.6	-88.3	0	0	0	109.9	Y41 Y43 F90	Y24-Y41 AromaticContact CD1-CD2 3.55Å; Y24-Y41 HydrophobicContact CD1-CD2 3.55Å; Y24-Y41 AromaticContact CD1-CE2 3.65Å; Y24-Y41 HydrophobicContact CD1-CE2 3.65Å; Y24-Y41 HydrophobicContact CD1-CG 4.3Å; Y24-Y41 HydrophobicContact CE1-CD2 4.16Å; Y24-Y41 AromaticContact CE1-CE2 3.78Å; Y24-Y41 HydrophobicContact CE1-CE2 3.78Å; Y24-Y43 HydrophobicContact CD1-CD2 4.22Å; Y24-Y43 HydrophobicContact CD1-CG 4.06Å; Y24-Y43 HydrophobicContact CD2-CD2 4.48Å; Y24-Y43 HydrophobicContact CE1-CD1 4.24Å; Y24-Y43 HydrophobicContact CE1-CD2 4.26Å; Y24-Y43 AromaticContact CE1-CG 3.78Å; Y24-Y43 HydrophobicContact CE1-CG 3.78Å; Y24-Y43 HydrophobicContact CE2-CD2 4.49Å; Y24-Y43 HydrophobicContact CG-CD2 4.34Å; Y24-F90 PolarHBondContact O-N 3.41Å
25	M	92.8	Very high	89.7	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.1	177.1	-148.2	73.8	57	0	0	109.1	F20 Y41 I42 P44 A70	F20-M25 HydrophobicContact CD2-CE 3.52Å; F20-M25 HydrophobicContact CE2-CE 3.23Å; F20-M25 HydrophobicContact CZ-CE 4.19Å; M25-Y41 CarbonylContact O-C 3.56Å; M25-Y41 WeakPolarHBondContact O-CA 3.24Å; M25-Y41 VanDerWaalsContact O-CB 3.32Å; M25-Y41 WeakPolarHBondContact O-CB 3.49Å; M25-I42 HydrophobicContact CB-CG2 4.11Å; M25-I42 PolarHBondContact N-O 3.01Å; M25-I42 PolarHBondContact O-N 3.22Å; M25-P44 HydrophobicContact CE-CG 4.22Å; M25-A70 HydrophobicContact CG-CB 3.92Å
26	H	94.6	Very high	89.7	Confident	34 Å²	34	64.3 Å²	64.3	16%	0.157	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.2	-179.9	-67.7	-109.1	0	0	0	110.9	W38 G40 Y41 W87 A88 F90	H26-W38 AromaticContact ND1-CD1 3.99Å; H26-W38 AromaticContact ND1-NE1 3.26Å; H26-W38 PolarHBondContact ND1-NE1 2.99Å; H26-G40 WeakPolarHBondContact CA-O 3.48Å; H26-Y41 AromaticContact CE1-CD1 3.66Å; H26-W87 CarbonylContact O-C 3.49Å; H26-W87 VanDerWaalsContact O-CA 3.24Å; H26-W87 WeakPolarHBondContact O-CA 3.44Å; H26-A88 HydrophobicContact CB-CB 4.48Å; H26-A88 PolarHBondContact N-O 2.99Å; H26-A88 PolarHBondContact O-N 3.2Å; H26-F90 WeakPolarHBondContact NE2-CB 3.14Å
27	W	95.1	Very high	89.9	Confident	1 Å²	1	61.4 Å²	61.4	0%	0.004	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.1	174.2	-69.8	88	0	0	0	110	I11 C13 I39 G40 L61 A70 M72	I11-W27 HydrophobicContact CB-CH2 4.46Å; I11-W27 HydrophobicContact CB-CZ3 4.25Å; I11-W27 HydrophobicContact CG2-CH2 4.24Å; I11-W27 HydrophobicContact CG2-CZ3 3.92Å; C13-W27 HydrophobicContact CB-CH2 4.16Å; C13-W27 HydrophobicContact CB-CZ2 4.31Å; W27-I39 HydrophobicContact CB-CB 4.07Å; W27-I39 HydrophobicContact CB-CD1 4.29Å; W27-I39 HydrophobicContact CB-CG2 4.5Å; W27-I39 WeakPolarHBondContact O-CB 3.41Å; W27-I39 PolarHBondContact O-N 2.86Å; W27-G40 PolarHBondContact N-O 3.35Å; W27-L61 HydrophobicContact CB-CD2 4.46Å; W27-L61 VanDerWaalsContact CD1-CD2 3.47Å; W27-L61 HydrophobicContact CD2-CD2 4.43Å; W27-L61 HydrophobicContact CG-CD2 3.88Å; W27-A70 HydrophobicContact CZ2-CB 4.21Å; W27-M72 HydrophobicContact CB-SD 4.02Å; W27-M72 HydrophobicContact CD2-CB 3.79Å; W27-M72 HydrophobicContact CD2-CE 4.32Å; W27-M72 HydrophobicContact CD2-CG 4.47Å; W27-M72 HydrophobicContact CD2-SD 4.01Å; W27-M72 HydrophobicContact CE3-CB 3.83Å; W27-M72 HydrophobicContact CE3-CE 3.61Å; W27-M72 HydrophobicContact CE3-SD 3.9Å; W27-M72 HydrophobicContact CG-CB 4.46Å; W27-M72 HydrophobicContact CG-SD 4.09Å; W27-M72 HydrophobicContact CH2-CB 3.91Å; W27-M72 HydrophobicContact CZ2-CB 3.88Å; W27-M72 HydrophobicContact CZ3-CB 3.89Å; W27-M72 HydrophobicContact CZ3-CE 4.02Å
28	V	93.9	Very high	90.1	Very high	24 Å²	24	61.2 Å²	61.2	15%	0.145	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.1	-174.9	-172.7	0	0	0	0	109.3	L36 E37 Y85 C86	V28-L36 HydrophobicContact CG1-CB 3.75Å; V28-L36 HydrophobicContact CG1-CD2 3.98Å; V28-L36 HydrophobicContact CG1-CG 4.31Å; V28-E37 CarbonylContact C-O 3.52Å; V28-E37 WeakPolarHBondContact CA-O 3.19Å; V28-E37 WeakPolarHBondContact CG1-O 3.38Å; V28-Y85 WeakPolarHBondContact O-CA 3.46Å; V28-C86 PolarHBondContact N-O 2.73Å; V28-C86 PolarHBondContact O-N 2.95Å
29	K	92.6	Very high	90.6	Very high	12 Å²	12	58.3 Å²	58.3	5%	0.052	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.3	171.2	-176.5	-176.7	180	-172	0	109.1	S31 E37 I39 F55 E80 D81 A83 Y85	K29-S31 WeakPolarHBondContact CE-OG 3.27Å; K29-E37 HydrophobicContact CB-CB 4.35Å; K29-E37 PolarHBondContact N-O 2.78Å; K29-E37 PolarHBondContact O-N 2.9Å; K29-I39 HydrophobicContact CB-CD1 4.03Å; K29-I39 HydrophobicContact CB-CG1 4.19Å; K29-F55 HydrophobicContact CB-CZ 4.29Å; K29-F55 HydrophobicContact CD-CE1 4.03Å; K29-F55 HydrophobicContact CD-CZ 3.98Å; K29-E80 PolarHBondContact NZ-O 3.4Å; K29-D81 IonicContact NZ-OD1 2.57Å; K29-A83 HydrophobicContact CD-CB 4.11Å; K29-A83 VanDerWaalsContact CE-CB 3.43Å; K29-A83 HydrophobicContact CG-CB 3.53Å; K29-Y85 HydrophobicContact CB-CD1 4.1Å; K29-Y85 HydrophobicContact CB-CE1 3.84Å; K29-Y85 HydrophobicContact CD-CE1 4.03Å; K29-Y85 HydrophobicContact CG-CD1 4.24Å; K29-Y85 HydrophobicContact CG-CE1 3.7Å
30	Q	90.6	Very high	90.8	Very high	82 Å²	82	54.7 Å²	54.7	38%	0.383	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	102.8	171.6	-173.4	174.8	17.6	0	0	109.1	L36 A83 I84	Q30-L36 HydrophobicContact CB-CD2 3.54Å; Q30-L36 HydrophobicContact CG-CD2 3.64Å; Q30-A83 WeakPolarHBondContact O-CB 3.45Å; Q30-I84 HydrophobicContact CB-CB 4.28Å; Q30-I84 PolarHBondContact N-O 2.81Å; Q30-I84 PolarHBondContact O-N 3.44Å
31	S	88.6	Confident	91.1	Very high	12 Å²	12	56.8 Å²	56.8	8%	0.084	31%	0.307	C	S	.	.			trans	-86.4	150.2	175.8	-50.3	0	0	0	0	110.2	K29 G33 K34	K29-S31 WeakPolarHBondContact CE-OG 3.27Å; S31-G33 PolarHBondContact O-N 2.57Å; S31-K34 PolarHBondContact O-N 2.75Å; S31-K34 VanDerWaalsContact O-N 3.12Å
32	H	84.4	Confident	91.2	Very high	160 Å²	160	54.9 Å²	54.9	74%	0.741	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	124	-179	-71.3	-151.7	0	0	0	110.8	K34	H32-K34 PolarHBondContact O-N 3.2Å
33	G	80.8	Confident	91.4	Very high	94 Å²	94	55.1 Å²	55.1	97%	0.969	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	11	179.2	0	0	0	0	0	115.7	S31	S31-G33 PolarHBondContact O-N 2.57Å
34	K	81.4	Confident	91.6	Very high	148 Å²	148	51.9 Å²	51.9	64%	0.643	27%	0.271	S	S	*	.	S	Bend	trans	-116.4	163.2	177.5	-61.9	-173.7	179.3	177.3	0	111.8	S31 H32	S31-K34 PolarHBondContact O-N 2.75Å; S31-K34 VanDerWaalsContact O-N 3.12Å; H32-K34 PolarHBondContact O-N 3.2Å
35	S	85.6	Confident	91.6	Very high	96 Å²	96	54.6 Å²	54.6	67%	0.671	28%	0.282	S	S	*	.			trans	-63.7	160.8	170.7	54.2	0	0	0	0	111.7	E37	S35-E37 PolarHBondContact O-N 3.46Å
36	L	90.4	Very high	91.7	Very high	110 Å²	110	59.3 Å²	59.3	58%	0.576	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	126.6	172.7	-67.8	176.4	0	0	0	110.2	V28 Q30	V28-L36 HydrophobicContact CG1-CB 3.75Å; V28-L36 HydrophobicContact CG1-CD2 3.98Å; V28-L36 HydrophobicContact CG1-CG 4.31Å; Q30-L36 HydrophobicContact CB-CD2 3.54Å; Q30-L36 HydrophobicContact CG-CD2 3.64Å
37	E	93.1	Very high	91.6	Very high	40 Å²	40	59.3 Å²	59.3	19%	0.187	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115	176.4	-67.7	-172	96.5	0	0	109.9	V28 K29 S35 I39 K54 F55	V28-E37 CarbonylContact C-O 3.52Å; V28-E37 WeakPolarHBondContact CA-O 3.19Å; V28-E37 WeakPolarHBondContact CG1-O 3.38Å; K29-E37 HydrophobicContact CB-CB 4.35Å; K29-E37 PolarHBondContact N-O 2.78Å; K29-E37 PolarHBondContact O-N 2.9Å; S35-E37 PolarHBondContact O-N 3.46Å; E37-I39 PolarHBondContact O-N 2.82Å; E37-K54 IonicContact OE1-NZ 2.75Å; E37-K54 PolarHBondContact OE1-NZ 2.92Å; E37-F55 HydrophobicContact CB-CE2 4.38Å; E37-F55 HydrophobicContact CB-CZ 4.38Å
38	W	94.4	Very high	91.6	Very high	85 Å²	85	64.7 Å²	64.7	32%	0.322	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.3	175	178.5	71.8	0	0	0	110.8	H26 G40 Y41 N52	H26-W38 AromaticContact ND1-CD1 3.99Å; H26-W38 AromaticContact ND1-NE1 3.26Å; H26-W38 PolarHBondContact ND1-NE1 2.99Å; W38-G40 PolarHBondContact NE1-O 3.45Å; W38-Y41 HydrophobicContact CH2-CD1 4.35Å; W38-Y41 AromaticContact CZ2-CD1 3.57Å; W38-Y41 HydrophobicContact CZ2-CD1 3.57Å; W38-Y41 HydrophobicContact CZ2-CE1 4.19Å; W38-Y41 HydrophobicContact CZ2-CG 4.4Å; W38-N52 HydrophobicContact CE3-CB 3.79Å; W38-N52 HydrophobicContact CZ3-CB 3.89Å; W38-N52 WeakPolarHBondContact O-CB 3.46Å; W38-N52 PolarHBondContact O-ND2 2.97Å
39	I	95.6	Very high	91.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-48.7	-177.3	-61	174.5	0	0	0	110.6	W27 K29 E37 N52 F55 A59 M72 Y85	W27-I39 HydrophobicContact CB-CB 4.07Å; W27-I39 HydrophobicContact CB-CD1 4.29Å; W27-I39 HydrophobicContact CB-CG2 4.5Å; W27-I39 WeakPolarHBondContact O-CB 3.41Å; W27-I39 PolarHBondContact O-N 2.86Å; K29-I39 HydrophobicContact CB-CD1 4.03Å; K29-I39 HydrophobicContact CB-CG1 4.19Å; E37-I39 PolarHBondContact O-N 2.82Å; I39-N52 PolarHBondContact O-N 3.49Å; I39-F55 HydrophobicContact CB-CD2 4.25Å; I39-F55 HydrophobicContact CB-CG 4.25Å; I39-F55 HydrophobicContact CG1-CD1 4.16Å; I39-F55 HydrophobicContact CG1-CD2 4.16Å; I39-F55 HydrophobicContact CG1-CE1 4.07Å; I39-F55 HydrophobicContact CG1-CE2 4.04Å; I39-F55 HydrophobicContact CG1-CG 4.2Å; I39-F55 HydrophobicContact CG1-CZ 4Å; I39-F55 HydrophobicContact CG2-CB 3.8Å; I39-F55 HydrophobicContact CG2-CD1 4.16Å; I39-F55 HydrophobicContact CG2-CD2 4.31Å; I39-F55 HydrophobicContact CG2-CG 3.83Å; I39-A59 HydrophobicContact CG2-CB 3.84Å; I39-M72 HydrophobicContact CD1-CE 4.04Å; I39-M72 HydrophobicContact CD1-SD 3.65Å; I39-M72 HydrophobicContact CG2-SD 4.06Å; I39-Y85 HydrophobicContact CD1-CD1 3.67Å; I39-Y85 HydrophobicContact CD1-CE1 3.81Å
40	G	95.8	Very high	91.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.9	178.1	-169.4	0	0	0	0	0	112.1	H26 W27 W38 S50	H26-G40 WeakPolarHBondContact CA-O 3.48Å; W27-G40 PolarHBondContact N-O 3.35Å; W38-G40 PolarHBondContact NE1-O 3.45Å; G40-S50 CarbonylContact C-O 3.57Å; G40-S50 WeakPolarHBondContact CA-O 3.13Å
41	Y	95.8	Very high	92.2	Very high	49 Å²	49	66.2 Å²	66.2	19%	0.192	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	161.1	165.6	66.6	-109	0	0	0	111.2	Y24 M25 H26 W38 F48 S49 S50	Y24-Y41 AromaticContact CD1-CD2 3.55Å; Y24-Y41 HydrophobicContact CD1-CD2 3.55Å; Y24-Y41 AromaticContact CD1-CE2 3.65Å; Y24-Y41 HydrophobicContact CD1-CE2 3.65Å; Y24-Y41 HydrophobicContact CD1-CG 4.3Å; Y24-Y41 HydrophobicContact CE1-CD2 4.16Å; Y24-Y41 AromaticContact CE1-CE2 3.78Å; Y24-Y41 HydrophobicContact CE1-CE2 3.78Å; M25-Y41 CarbonylContact O-C 3.56Å; M25-Y41 WeakPolarHBondContact O-CA 3.24Å; M25-Y41 VanDerWaalsContact O-CB 3.32Å; M25-Y41 WeakPolarHBondContact O-CB 3.49Å; H26-Y41 AromaticContact CE1-CD1 3.66Å; W38-Y41 HydrophobicContact CH2-CD1 4.35Å; W38-Y41 AromaticContact CZ2-CD1 3.57Å; W38-Y41 HydrophobicContact CZ2-CD1 3.57Å; W38-Y41 HydrophobicContact CZ2-CE1 4.19Å; W38-Y41 HydrophobicContact CZ2-CG 4.4Å; Y41-F48 AromaticContact CE2-CD1 3.88Å; Y41-F48 HydrophobicContact CE2-CD1 3.88Å; Y41-F48 AromaticContact CE2-CE1 3.95Å; Y41-F48 HydrophobicContact CE2-CE1 3.95Å; Y41-F48 VanDerWaalsContact OH-CE1 3.27Å; Y41-F48 WeakPolarHBondContact OH-CE1 3.16Å; Y41-S49 WeakPolarHBondContact O-CA 3.41Å; Y41-S49 WeakPolarHBondContact O-CB 3.48Å; Y41-S50 PolarHBondContact N-O 2.92Å; Y41-S50 PolarHBondContact O-N 2.84Å; Y41-S50 VanDerWaalsContact O-N 3.07Å
42	I	95.6	Very high	92.5	Very high	7 Å²	7	67.8 Å²	67.8	4%	0.036	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135.8	167.6	-174.5	158.9	0	0	0	109.6	M25 P44 F48 L61 V63	M25-I42 HydrophobicContact CB-CG2 4.11Å; M25-I42 PolarHBondContact N-O 3.01Å; M25-I42 PolarHBondContact O-N 3.22Å; I42-P44 WeakPolarHBondContact O-CD 3.47Å; I42-F48 CarbonylContact C-O 3.56Å; I42-F48 WeakPolarHBondContact CA-O 3.42Å; I42-L61 HydrophobicContact CB-CB 4.1Å; I42-L61 HydrophobicContact CB-CD1 4.43Å; I42-L61 HydrophobicContact CD1-CB 4.3Å; I42-L61 HydrophobicContact CG2-CB 4.23Å; I42-V63 HydrophobicContact CD1-CG1 3.95Å; I42-V63 HydrophobicContact CD1-CG2 4.28Å; I42-V63 HydrophobicContact CG1-CG1 4.05Å; I42-V63 HydrophobicContact CG2-CG1 3.71Å
43	Y	95.1	Very high	93	Very high	44 Å²	44	68.5 Å²	68.5	17%	0.173	36%	0.364	C	S	.	.			trans	-95.7	110.7	174	-172.5	-147.4	0	0	0	109.8	T21 Y24 Y45 N46 G47 F48	T21-Y43 WeakPolarHBondContact O-CE2 3.4Å; Y24-Y43 HydrophobicContact CD1-CD2 4.22Å; Y24-Y43 HydrophobicContact CD1-CG 4.06Å; Y24-Y43 HydrophobicContact CD2-CD2 4.48Å; Y24-Y43 HydrophobicContact CE1-CD1 4.24Å; Y24-Y43 HydrophobicContact CE1-CD2 4.26Å; Y24-Y43 AromaticContact CE1-CG 3.78Å; Y24-Y43 HydrophobicContact CE1-CG 3.78Å; Y24-Y43 HydrophobicContact CE2-CD2 4.49Å; Y24-Y43 HydrophobicContact CG-CD2 4.34Å; Y43-Y45 AromaticContact CE1-CD1 3.97Å; Y43-Y45 HydrophobicContact CE1-CD1 3.97Å; Y43-Y45 HydrophobicContact CE1-CG 4.04Å; Y43-Y45 PolarHBondContact O-N 2.9Å; Y43-Y45 VanDerWaalsContact O-N 3.16Å; Y43-N46 WeakPolarHBondContact CD1-OD1 3.24Å; Y43-G47 VanDerWaalsContact O-CA 3.27Å; Y43-G47 WeakPolarHBondContact O-CA 3.41Å; Y43-G47 PolarHBondContact O-N 2.91Å; Y43-F48 PolarHBondContact N-O 3.4Å
44	P	94.4	Very high	93.5	Very high	0 Å²	0	71 Å²	71	0%	0	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.6	-171.4	-17.6	30.9	0	0	0	114.1	F20 Y23 M25 I42 V63 K65	F20-P44 HydrophobicContact CD1-CB 3.85Å; F20-P44 HydrophobicContact CD1-CG 4.26Å; F20-P44 HydrophobicContact CE1-CB 3.55Å; F20-P44 HydrophobicContact CE1-CG 3.91Å; F20-P44 HydrophobicContact CE2-CG 4.26Å; F20-P44 HydrophobicContact CZ-CB 4.06Å; F20-P44 HydrophobicContact CZ-CG 3.91Å; F20-P44 WeakPolarHBondContact O-CG 3.23Å; Y23-P44 WeakPolarHBondContact O-CD 3.48Å; M25-P44 HydrophobicContact CE-CG 4.22Å; I42-P44 WeakPolarHBondContact O-CD 3.47Å; P44-V63 HydrophobicContact CB-CB 4.32Å; P44-V63 HydrophobicContact CB-CG1 4.08Å; P44-V63 HydrophobicContact CB-CG2 4.27Å; P44-V63 HydrophobicContact CG-CG1 4.06Å; P44-K65 WeakPolarHBondContact O-CD 3.28Å; P44-K65 WeakPolarHBondContact O-CE 3.32Å; P44-K65 PolarHBondContact O-NZ 2.79Å
45	Y	93.8	Very high	94	Very high	148 Å²	148	64.4 Å²	64.4	58%	0.58	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-55.1	176.8	-176.5	-111.3	0	0	0	112.5	T21 Y43 K65	T21-Y45 WeakPolarHBondContact O-CB 3.33Å; Y43-Y45 AromaticContact CE1-CD1 3.97Å; Y43-Y45 HydrophobicContact CE1-CD1 3.97Å; Y43-Y45 HydrophobicContact CE1-CG 4.04Å; Y43-Y45 PolarHBondContact O-N 2.9Å; Y43-Y45 VanDerWaalsContact O-N 3.16Å; Y45-K65 PolarHBondContact O-NZ 2.87Å
46	N	94.3	Very high	94.4	Very high	100 Å²	100	67.4 Å²	67.4	54%	0.535	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	0.8	-174.4	63.2	6.4	0	0	0	113.8	Y43 F48	Y43-N46 WeakPolarHBondContact CD1-OD1 3.24Å; N46-F48 PolarHBondContact O-N 3.27Å; N46-F48 WeakPolarHBondContact OD1-CB 3.23Å; N46-F48 PolarHBondContact OD1-N 2.88Å
47	G	92.8	Very high	94.4	Very high	34 Å²	34	65.4 Å²	65.4	35%	0.351	33%	0.327	S	S	.	.			trans	76.1	8.2	-178.9	0	0	0	0	0	114.1	Y43 S49	Y43-G47 VanDerWaalsContact O-CA 3.27Å; Y43-G47 WeakPolarHBondContact O-CA 3.41Å; Y43-G47 PolarHBondContact O-N 2.91Å; G47-S49 PolarHBondContact O-N 3.26Å
48	F	95	Very high	94.4	Very high	113 Å²	113	65.9 Å²	65.9	50%	0.496	33%	0.328	S	S	.	.			trans	-59.9	128.8	177.6	-179.4	-106.5	0	0	0	110.3	Y41 I42 Y43 N46	Y41-F48 AromaticContact CE2-CD1 3.88Å; Y41-F48 HydrophobicContact CE2-CD1 3.88Å; Y41-F48 AromaticContact CE2-CE1 3.95Å; Y41-F48 HydrophobicContact CE2-CE1 3.95Å; Y41-F48 VanDerWaalsContact OH-CE1 3.27Å; Y41-F48 WeakPolarHBondContact OH-CE1 3.16Å; I42-F48 CarbonylContact C-O 3.56Å; I42-F48 WeakPolarHBondContact CA-O 3.42Å; Y43-F48 PolarHBondContact N-O 3.4Å; N46-F48 PolarHBondContact O-N 3.27Å; N46-F48 WeakPolarHBondContact OD1-CB 3.23Å; N46-F48 PolarHBondContact OD1-N 2.88Å
49	S	95.4	Very high	94.4	Very high	45 Å²	45	62 Å²	62	32%	0.315	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.5	-175.9	66.4	0	0	0	0	111.5	Y41 G47 Y51	Y41-S49 WeakPolarHBondContact O-CA 3.41Å; Y41-S49 WeakPolarHBondContact O-CB 3.48Å; G47-S49 PolarHBondContact O-N 3.26Å; S49-Y51 WeakPolarHBondContact OG-CE2 3.44Å
50	S	95.9	Very high	94.5	Very high	43 Å²	43	64 Å²	64	30%	0.301	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151	172.2	-173.2	0	0	0	0	110	G40 Y41	G40-S50 CarbonylContact C-O 3.57Å; G40-S50 WeakPolarHBondContact CA-O 3.13Å; Y41-S50 PolarHBondContact N-O 2.92Å; Y41-S50 PolarHBondContact O-N 2.84Å; Y41-S50 VanDerWaalsContact O-N 3.07Å
51	Y	97.1	Very high	94.5	Very high	62 Å²	62	64.4 Å²	64.4	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.9	-175	-63.5	-97.7	0	0	0	110.1	S49 A59 L61	S49-Y51 WeakPolarHBondContact OG-CE2 3.44Å; Y51-A59 HydrophobicContact CD1-CB 4.5Å; Y51-A59 HydrophobicContact CE1-CB 4.37Å; Y51-A59 WeakPolarHBondContact CE1-O 3.32Å; Y51-L61 HydrophobicContact CE1-CB 4.47Å; Y51-L61 HydrophobicContact CE1-CD1 4.1Å; Y51-L61 HydrophobicContact CE1-CG 3.71Å; Y51-L61 PolarHBondContact OH-N 2.77Å
52	N	95.6	Very high	94.5	Very high	46 Å²	46	65 Å²	65	25%	0.246	34%	0.337	C	S	.	.			trans	-66.2	138.1	160.4	-178.2	-31	0	0	0	109.1	W38 I39 K54 F55 K56	W38-N52 HydrophobicContact CE3-CB 3.79Å; W38-N52 HydrophobicContact CZ3-CB 3.89Å; W38-N52 WeakPolarHBondContact O-CB 3.46Å; W38-N52 PolarHBondContact O-ND2 2.97Å; I39-N52 PolarHBondContact O-N 3.49Å; N52-K54 PolarHBondContact O-N 2.89Å; N52-K54 VanDerWaalsContact O-N 3.12Å; N52-K54 PolarHBondContact OD1-N 3.07Å; N52-K54 VanDerWaalsContact OD1-N 3.09Å; N52-F55 HydrophobicContact CB-CD2 4.07Å; N52-F55 PolarHBondContact O-N 2.85Å; N52-K56 PolarHBondContact O-N 3.31Å; N52-K56 VanDerWaalsContact O-N 3.1Å
53	Q	94.6	Very high	94.5	Very high	174 Å²	174	66.4 Å²	66.4	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.2	-177.5	-169.1	171.7	-0.6	0	0	113.1	F55 K56	Q53-F55 VanDerWaalsContact C-N 3.25Å; Q53-F55 PolarHBondContact O-N 2.95Å; Q53-K56 PolarHBondContact O-N 2.94Å
54	K	91.4	Very high	94.5	Very high	146 Å²	146	66.8 Å²	66.8	64%	0.635	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.5	176.4	-70.7	-178	174.6	179.2	0	113.9	E37 N52	E37-K54 IonicContact OE1-NZ 2.75Å; E37-K54 PolarHBondContact OE1-NZ 2.92Å; N52-K54 PolarHBondContact O-N 2.89Å; N52-K54 VanDerWaalsContact O-N 3.12Å; N52-K54 PolarHBondContact OD1-N 3.07Å; N52-K54 VanDerWaalsContact OD1-N 3.09Å
55	F	92.8	Very high	94.5	Very high	10 Å²	10	71.9 Å²	71.9	4%	0.044	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-5.8	-174.5	-62.3	-84	0	0	0	112.5	K29 E37 I39 N52 Q53 G57 K58 A59	K29-F55 HydrophobicContact CB-CZ 4.29Å; K29-F55 HydrophobicContact CD-CE1 4.03Å; K29-F55 HydrophobicContact CD-CZ 3.98Å; E37-F55 HydrophobicContact CB-CE2 4.38Å; E37-F55 HydrophobicContact CB-CZ 4.38Å; I39-F55 HydrophobicContact CB-CD2 4.25Å; I39-F55 HydrophobicContact CB-CG 4.25Å; I39-F55 HydrophobicContact CG1-CD1 4.16Å; I39-F55 HydrophobicContact CG1-CD2 4.16Å; I39-F55 HydrophobicContact CG1-CE1 4.07Å; I39-F55 HydrophobicContact CG1-CE2 4.04Å; I39-F55 HydrophobicContact CG1-CG 4.2Å; I39-F55 HydrophobicContact CG1-CZ 4Å; I39-F55 HydrophobicContact CG2-CB 3.8Å; I39-F55 HydrophobicContact CG2-CD1 4.16Å; I39-F55 HydrophobicContact CG2-CD2 4.31Å; I39-F55 HydrophobicContact CG2-CG 3.83Å; N52-F55 HydrophobicContact CB-CD2 4.07Å; N52-F55 PolarHBondContact O-N 2.85Å; Q53-F55 VanDerWaalsContact C-N 3.25Å; Q53-F55 PolarHBondContact O-N 2.95Å; F55-G57 PolarHBondContact O-N 3.09Å; F55-K58 PolarHBondContact O-N 3.12Å; F55-A59 HydrophobicContact CB-CB 4.22Å; F55-A59 PolarHBondContact O-N 2.76Å
56	K	92.9	Very high	94.4	Very high	159 Å²	159	70.2 Å²	70.2	69%	0.691	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-61.4	124	175.8	-163.6	176.1	-176.5	179.2	0	109.3	N52 Q53 K58	N52-K56 PolarHBondContact O-N 3.31Å; N52-K56 VanDerWaalsContact O-N 3.1Å; Q53-K56 PolarHBondContact O-N 2.94Å; K56-K58 VanDerWaalsContact C-N 3.25Å; K56-K58 PolarHBondContact O-N 2.87Å
57	G	91.6	Very high	94.4	Very high	68 Å²	68	67 Å²	67	70%	0.701	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-17.5	-175.5	0	0	0	0	0	114.9	F55	F55-G57 PolarHBondContact O-N 3.09Å
58	K	93.1	Very high	94.5	Very high	50 Å²	50	67.2 Å²	67.2	22%	0.217	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-41.9	174.7	-167.1	169.7	-166.7	172.6	0	112.6	F55 K56 L74 R75 D81	F55-K58 PolarHBondContact O-N 3.12Å; K56-K58 VanDerWaalsContact C-N 3.25Å; K56-K58 PolarHBondContact O-N 2.87Å; K58-L74 WeakPolarHBondContact O-CA 3.21Å; K58-R75 PolarHBondContact O-N 3.4Å; K58-D81 WeakPolarHBondContact CE-OD1 3.47Å; K58-D81 WeakPolarHBondContact CE-OD2 3.27Å; K58-D81 IonicContact NZ-OD1 3.18Å; K58-D81 PolarHBondContact NZ-OD1 2.83Å; K58-D81 IonicContact NZ-OD2 3.02Å; K58-D81 PolarHBondContact NZ-OD2 2.78Å
59	A	94.9	Very high	94.5	Very high	3 Å²	3	62.3 Å²	62.3	3%	0.025	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.5	177.8	0	0	0	0	0	111	I39 Y51 F55 E73 L74	I39-A59 HydrophobicContact CG2-CB 3.84Å; Y51-A59 HydrophobicContact CD1-CB 4.5Å; Y51-A59 HydrophobicContact CE1-CB 4.37Å; Y51-A59 WeakPolarHBondContact CE1-O 3.32Å; F55-A59 HydrophobicContact CB-CB 4.22Å; F55-A59 PolarHBondContact O-N 2.76Å; A59-E73 CarbonylContact C-O 3.56Å; A59-E73 VanDerWaalsContact CA-O 3.32Å; A59-E73 WeakPolarHBondContact CA-O 3.41Å; A59-L74 HydrophobicContact CB-CD2 3.8Å
60	T	96.3	Very high	94.4	Very high	43 Å²	43	60.1 Å²	60.1	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	119.4	168.9	-63.3	0	0	0	0	108.8	T62 M72 E73	T60-T62 HydrophobicContact CG2-CG2 4.28Å; T60-M72 WeakPolarHBondContact O-CA 2.97Å; T60-E73 PolarHBondContact N-O 2.82Å; T60-E73 PolarHBondContact O-N 3.1Å
61	L	96.1	Very high	94.4	Very high	9 Å²	9	60.6 Å²	60.6	5%	0.047	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.1	179.2	-54.3	-176.5	0	0	0	109.9	W27 I42 Y51 Y71 M72	W27-L61 HydrophobicContact CB-CD2 4.46Å; W27-L61 VanDerWaalsContact CD1-CD2 3.47Å; W27-L61 HydrophobicContact CD2-CD2 4.43Å; W27-L61 HydrophobicContact CG-CD2 3.88Å; I42-L61 HydrophobicContact CB-CB 4.1Å; I42-L61 HydrophobicContact CB-CD1 4.43Å; I42-L61 HydrophobicContact CD1-CB 4.3Å; I42-L61 HydrophobicContact CG2-CB 4.23Å; Y51-L61 HydrophobicContact CE1-CB 4.47Å; Y51-L61 HydrophobicContact CE1-CD1 4.1Å; Y51-L61 HydrophobicContact CE1-CG 3.71Å; Y51-L61 PolarHBondContact OH-N 2.77Å; L61-Y71 WeakPolarHBondContact CA-O 3.44Å; L61-M72 HydrophobicContact CD2-CB 3.79Å; L61-M72 HydrophobicContact CD2-CG 3.65Å; L61-M72 HydrophobicContact CD2-SD 4.11Å
62	T	96	Very high	94.3	Very high	60 Å²	60	57.6 Å²	57.6	37%	0.368	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.6	176.3	55.4	0	0	0	0	110.9	T60 Y71	T60-T62 HydrophobicContact CG2-CG2 4.28Å; T62-Y71 PolarHBondContact N-O 3.41Å; T62-Y71 PolarHBondContact O-N 3.27Å; T62-Y71 WeakPolarHBondContact OG1-CB 3.32Å
63	V	95.5	Very high	94.3	Very high	37 Å²	37	58.2 Å²	58.2	22%	0.224	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.8	177.7	-66.8	0	0	0	0	110.1	F20 I42 P44 T69 A70	F20-V63 HydrophobicContact CE1-CB 4.18Å; F20-V63 HydrophobicContact CE1-CG1 4.42Å; F20-V63 HydrophobicContact CZ-CB 4.19Å; F20-V63 HydrophobicContact CZ-CG1 4.05Å; I42-V63 HydrophobicContact CD1-CG1 3.95Å; I42-V63 HydrophobicContact CD1-CG2 4.28Å; I42-V63 HydrophobicContact CG1-CG1 4.05Å; I42-V63 HydrophobicContact CG2-CG1 3.71Å; P44-V63 HydrophobicContact CB-CB 4.32Å; P44-V63 HydrophobicContact CB-CG1 4.08Å; P44-V63 HydrophobicContact CB-CG2 4.27Å; P44-V63 HydrophobicContact CG-CG1 4.06Å; V63-T69 CarbonylContact C-O 3.54Å; V63-T69 WeakPolarHBondContact CA-O 3.03Å; V63-A70 HydrophobicContact CG1-CB 4.19Å
64	D	95.1	Very high	94.2	Very high	53 Å²	53	50 Å²	50	28%	0.283	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	106.4	165.2	174.2	7.3	0	0	0	108	S66 S67 S68 T69 Y71	D64-S66 VanDerWaalsContact C-N 3.29Å; D64-S66 PolarHBondContact O-N 3.47Å; D64-S66 WeakPolarHBondContact OD1-CB 3.1Å; D64-S66 PolarHBondContact OD1-N 2.87Å; D64-S66 PolarHBondContact OD1-OG 2.91Å; D64-S66 PolarHBondContact OD2-OG 2.82Å; D64-S67 PolarHBondContact OD1-N 3.18Å; D64-S67 VanDerWaalsContact OD2-CB 3.32Å; D64-S67 WeakPolarHBondContact OD2-CB 3.44Å; D64-S67 PolarHBondContact OD2-OG 2.98Å; D64-S68 WeakPolarHBondContact O-CA 3.38Å; D64-S68 PolarHBondContact O-N 2.9Å; D64-T69 PolarHBondContact N-O 3Å; D64-T69 PolarHBondContact O-N 2.91Å; D64-Y71 HydrophobicContact CB-CE2 3.94Å
65	K	93.4	Very high	94.3	Very high	107 Å²	107	48.3 Å²	48.3	47%	0.465	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-29.9	-178	-52.7	-174.3	-158	-171.9	0	111.8	T21 P44 Y45 S68	T21-K65 HydrophobicContact CG2-CD 4.26Å; P44-K65 WeakPolarHBondContact O-CD 3.28Å; P44-K65 WeakPolarHBondContact O-CE 3.32Å; P44-K65 PolarHBondContact O-NZ 2.79Å; Y45-K65 PolarHBondContact O-NZ 2.87Å; K65-S68 PolarHBondContact O-N 3.03Å
66	S	92.9	Very high	94.1	Very high	112 Å²	112	51.6 Å²	51.6	78%	0.783	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-39.6	-177.1	72.7	0	0	0	0	111.6	D64	D64-S66 VanDerWaalsContact C-N 3.29Å; D64-S66 PolarHBondContact O-N 3.47Å; D64-S66 WeakPolarHBondContact OD1-CB 3.1Å; D64-S66 PolarHBondContact OD1-N 2.87Å; D64-S66 PolarHBondContact OD1-OG 2.91Å; D64-S66 PolarHBondContact OD2-OG 2.82Å
67	S	94.6	Very high	93.8	Very high	34 Å²	34	44.9 Å²	44.9	24%	0.238	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-1.3	177.1	67.4	0	0	0	0	113.7	K14 D64 T69	K14-S67 WeakPolarHBondContact CE-O 3.42Å; D64-S67 PolarHBondContact OD1-N 3.18Å; D64-S67 VanDerWaalsContact OD2-CB 3.32Å; D64-S67 WeakPolarHBondContact OD2-CB 3.44Å; D64-S67 PolarHBondContact OD2-OG 2.98Å; S67-T69 WeakPolarHBondContact CB-OG1 3.31Å; S67-T69 PolarHBondContact O-N 3.38Å; S67-T69 PolarHBondContact O-OG1 3.07Å; S67-T69 VanDerWaalsContact OG-CB 3.31Å; S67-T69 WeakPolarHBondContact OG-CB 3.19Å; S67-T69 PolarHBondContact OG-OG1 2.91Å
68	S	94.2	Very high	93.6	Very high	38 Å²	38	44.6 Å²	44.6	27%	0.266	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	42.2	-171.5	-63.3	0	0	0	0	112.5	A15 D64 K65	A15-S68 PolarHBondContact N-O 3.43Å; D64-S68 WeakPolarHBondContact O-CA 3.38Å; D64-S68 PolarHBondContact O-N 2.9Å; K65-S68 PolarHBondContact O-N 3.03Å
69	T	95	Very high	93	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.5	-174.9	-49.1	0	0	0	0	111.3	C12 C13 V63 D64 S67 Y71	C12-T69 HydrophobicContact CB-CG2 4.07Å; C13-T69 CarbonylContact O-C 3.59Å; C13-T69 WeakPolarHBondContact O-CA 3.42Å; C13-T69 VanDerWaalsContact O-CG2 3.27Å; C13-T69 WeakPolarHBondContact O-CG2 3.27Å; V63-T69 CarbonylContact C-O 3.54Å; V63-T69 WeakPolarHBondContact CA-O 3.03Å; D64-T69 PolarHBondContact N-O 3Å; D64-T69 PolarHBondContact O-N 2.91Å; S67-T69 WeakPolarHBondContact CB-OG1 3.31Å; S67-T69 PolarHBondContact O-N 3.38Å; S67-T69 PolarHBondContact O-OG1 3.07Å; S67-T69 VanDerWaalsContact OG-CB 3.31Å; S67-T69 WeakPolarHBondContact OG-CB 3.19Å; S67-T69 PolarHBondContact OG-OG1 2.91Å; T69-Y71 HydrophobicContact CG2-CD1 4.36Å; T69-Y71 HydrophobicContact CG2-CD2 4.28Å; T69-Y71 HydrophobicContact CG2-CE1 3.76Å; T69-Y71 HydrophobicContact CG2-CE2 3.64Å; T69-Y71 WeakPolarHBondContact CG2-OH 3.49Å
70	A	94.4	Very high	92.4	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	146.3	167.6	0	0	0	0	0	110.1	C12 C13 F20 M25 W27 V63	C12-A70 CarbonylContact C-O 3.53Å; C12-A70 WeakPolarHBondContact CA-O 3.41Å; C13-A70 HydrophobicContact CB-CB 4.23Å; C13-A70 PolarHBondContact N-O 2.83Å; C13-A70 PolarHBondContact O-N 2.75Å; F20-A70 HydrophobicContact CE2-CB 4.32Å; F20-A70 HydrophobicContact CZ-CB 4.2Å; M25-A70 HydrophobicContact CG-CB 3.92Å; W27-A70 HydrophobicContact CZ2-CB 4.21Å; V63-A70 HydrophobicContact CG1-CB 4.19Å
71	Y	95.3	Very high	91.7	Very high	52 Å²	52	52.8 Å²	52.8	20%	0.204	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.5	178.5	-55.8	-92.9	0	0	0	110.9	K10 I11 C12 L61 T62 D64 T69	K10-Y71 HydrophobicContact CD-CD1 4.38Å; K10-Y71 VanDerWaalsContact CE-CD1 3.44Å; K10-Y71 HydrophobicContact CG-CD1 4.4Å; I11-Y71 CarbonylContact O-C 3.46Å; I11-Y71 VanDerWaalsContact O-CA 3.23Å; I11-Y71 WeakPolarHBondContact O-CA 3.45Å; C12-Y71 HydrophobicContact CB-CD1 3.34Å; C12-Y71 HydrophobicContact CB-CE1 3.36Å; C12-Y71 HydrophobicContact CB-CG 4.4Å; L61-Y71 WeakPolarHBondContact CA-O 3.44Å; T62-Y71 PolarHBondContact N-O 3.41Å; T62-Y71 PolarHBondContact O-N 3.27Å; T62-Y71 WeakPolarHBondContact OG1-CB 3.32Å; D64-Y71 HydrophobicContact CB-CE2 3.94Å; T69-Y71 HydrophobicContact CG2-CD1 4.36Å; T69-Y71 HydrophobicContact CG2-CD2 4.28Å; T69-Y71 HydrophobicContact CG2-CE1 3.76Å; T69-Y71 HydrophobicContact CG2-CE2 3.64Å; T69-Y71 WeakPolarHBondContact CG2-OH 3.49Å
72	M	95.4	Very high	91.2	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.1	166.8	179	176.1	66.1	0	0	108.7	K10 I11 W27 I39 T60 L61 L74 Y85	K10-M72 WeakPolarHBondContact CA-O 3.45Å; I11-M72 HydrophobicContact CD1-CE 3.83Å; I11-M72 PolarHBondContact N-O 3.33Å; I11-M72 PolarHBondContact O-N 2.75Å; W27-M72 HydrophobicContact CB-SD 4.02Å; W27-M72 HydrophobicContact CD2-CB 3.79Å; W27-M72 HydrophobicContact CD2-CE 4.32Å; W27-M72 HydrophobicContact CD2-CG 4.47Å; W27-M72 HydrophobicContact CD2-SD 4.01Å; W27-M72 HydrophobicContact CE3-CB 3.83Å; W27-M72 HydrophobicContact CE3-CE 3.61Å; W27-M72 HydrophobicContact CE3-SD 3.9Å; W27-M72 HydrophobicContact CG-CB 4.46Å; W27-M72 HydrophobicContact CG-SD 4.09Å; W27-M72 HydrophobicContact CH2-CB 3.91Å; W27-M72 HydrophobicContact CZ2-CB 3.88Å; W27-M72 HydrophobicContact CZ3-CB 3.89Å; W27-M72 HydrophobicContact CZ3-CE 4.02Å; I39-M72 HydrophobicContact CD1-CE 4.04Å; I39-M72 HydrophobicContact CD1-SD 3.65Å; I39-M72 HydrophobicContact CG2-SD 4.06Å; T60-M72 WeakPolarHBondContact O-CA 2.97Å; L61-M72 HydrophobicContact CD2-CB 3.79Å; L61-M72 HydrophobicContact CD2-CG 3.65Å; L61-M72 HydrophobicContact CD2-SD 4.11Å; M72-L74 HydrophobicContact CE-CD1 3.78Å; M72-L74 HydrophobicContact CE-CD2 4.3Å; M72-L74 HydrophobicContact CE-CG 4Å; M72-L74 HydrophobicContact CG-CD2 4.28Å; M72-L74 HydrophobicContact CG-CG 4.16Å; M72-L74 HydrophobicContact SD-CD2 4.02Å; M72-L74 HydrophobicContact SD-CG 4.23Å; M72-Y85 HydrophobicContact CE-CD1 3.55Å; M72-Y85 HydrophobicContact CE-CE1 4.2Å; M72-Y85 HydrophobicContact CE-CG 3.95Å
73	E	94.9	Very high	90.8	Very high	58 Å²	58	55.1 Å²	55.1	27%	0.271	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	126.5	167.2	-176.8	-178.3	-133	0	0	108.7	V9 A59 T60 R75	V9-E73 CarbonylContact O-C 3.52Å; V9-E73 WeakPolarHBondContact O-CA 3.46Å; A59-E73 CarbonylContact C-O 3.56Å; A59-E73 VanDerWaalsContact CA-O 3.32Å; A59-E73 WeakPolarHBondContact CA-O 3.41Å; T60-E73 PolarHBondContact N-O 2.82Å; T60-E73 PolarHBondContact O-N 3.1Å; E73-R75 HydrophobicContact CG-CG 4.38Å; E73-R75 IonicContact OE2-CZ 3.57Å; E73-R75 IonicContact OE2-NE 2.82Å; E73-R75 PolarHBondContact OE2-NE 2.92Å; E73-R75 IonicContact OE2-NH2 3.72Å; E73-R75 PolarHBondContact OE2-NH2 3.06Å
74	L	93.2	Very high	90.4	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.3	172.4	-64	164.8	0	0	0	108.8	S8 V9 I11 K58 A59 M72 Q77 Y85	S8-L74 CarbonylContact C-O 3.55Å; S8-L74 VanDerWaalsContact CA-O 3.24Å; S8-L74 WeakPolarHBondContact CA-O 3.34Å; V9-L74 HydrophobicContact CG1-CB 3.93Å; V9-L74 HydrophobicContact CG1-CD1 4.17Å; V9-L74 PolarHBondContact N-O 3.21Å; V9-L74 PolarHBondContact O-N 3.24Å; I11-L74 HydrophobicContact CD1-CD1 4.3Å; K58-L74 WeakPolarHBondContact O-CA 3.21Å; A59-L74 HydrophobicContact CB-CD2 3.8Å; M72-L74 HydrophobicContact CE-CD1 3.78Å; M72-L74 HydrophobicContact CE-CD2 4.3Å; M72-L74 HydrophobicContact CE-CG 4Å; M72-L74 HydrophobicContact CG-CD2 4.28Å; M72-L74 HydrophobicContact CG-CG 4.16Å; M72-L74 HydrophobicContact SD-CD2 4.02Å; M72-L74 HydrophobicContact SD-CG 4.23Å; L74-Q77 PolarHBondContact O-NE2 3.48Å; L74-Y85 HydrophobicContact CD1-CD1 3.98Å; L74-Y85 HydrophobicContact CD1-CD2 4.27Å; L74-Y85 HydrophobicContact CD1-CE1 3.44Å; L74-Y85 VanDerWaalsContact CD1-CE1 3.44Å; L74-Y85 HydrophobicContact CD1-CE2 3.79Å; L74-Y85 HydrophobicContact CD1-CG 4.34Å
75	R	92.4	Very high	90.2	Very high	111 Å²	111	56.9 Å²	56.9	42%	0.419	32%	0.319	S	S	.	.			trans	-94.2	156.7	-176.9	-60	-179.8	179.7	177.1	-0	111.5	K58 E73 Q77	K58-R75 PolarHBondContact O-N 3.4Å; E73-R75 HydrophobicContact CG-CG 4.38Å; E73-R75 IonicContact OE2-CZ 3.57Å; E73-R75 IonicContact OE2-NE 2.82Å; E73-R75 PolarHBondContact OE2-NE 2.92Å; E73-R75 IonicContact OE2-NH2 3.72Å; E73-R75 PolarHBondContact OE2-NH2 3.06Å; R75-Q77 PolarHBondContact O-N 3.36Å
76	S	89.4	Confident	89.9	Confident	80 Å²	80	54.2 Å²	54.2	56%	0.559	31%	0.313	S	S	*	.	S	Bend	trans	51.6	55.7	171.9	-52.4	0	0	0	0	112.6	A7 T78	A7-S76 PolarHBondContact O-N 2.92Å; S76-T78 PolarHBondContact O-N 3.07Å
77	Q	86.6	Confident	89.7	Confident	18 Å²	18	54.6 Å²	54.6	8%	0.084	30%	0.297	C	S	.	.			trans	-55.6	130.2	-177.3	-72	-59	-74.1	0	0	111.7	P5 G6 A7 V9 L74 R75	P5-Q77 CarbonylContact C-O 3.39Å; P5-Q77 WeakPolarHBondContact CA-O 3.36Å; G6-Q77 PolarHBondContact N-O 2.58Å; A7-Q77 WeakPolarHBondContact O-CB 3.36Å; A7-Q77 VanDerWaalsContact O-CG 3.23Å; A7-Q77 WeakPolarHBondContact O-CG 3.33Å; A7-Q77 PolarHBondContact O-N 2.9Å; V9-Q77 HydrophobicContact CG1-CG 4.14Å; L74-Q77 PolarHBondContact O-NE2 3.48Å; R75-Q77 PolarHBondContact O-N 3.36Å
78	T	86.3	Confident	89.3	Confident	61 Å²	61	55 Å²	55	37%	0.374	30%	0.303	S	S	.	.			trans	-113.7	168.3	172	67.2	0	0	0	0	110.4	S76 E80 D81	S76-T78 PolarHBondContact O-N 3.07Å; T78-E80 PolarHBondContact O-N 3.02Å; T78-D81 PolarHBondContact N-OD2 2.76Å; T78-D81 WeakPolarHBondContact O-CB 3.44Å; T78-D81 PolarHBondContact O-N 3.02Å; T78-D81 PolarHBondContact OG1-OD2 3.31Å
79	S	81.1	Confident	88.9	Confident	105 Å²	105	58.8 Å²	58.8	73%	0.734	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-57.2	-31.6	174.6	49.8	0	0	0	0	112.6	D81 S82	S79-D81 PolarHBondContact O-N 3.16Å; S79-S82 WeakPolarHBondContact O-CB 3.34Å; S79-S82 PolarHBondContact O-N 3.43Å
80	E	81.3	Confident	87.9	Confident	156 Å²	156	64.9 Å²	64.9	73%	0.729	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-68.9	-18.2	176.6	-60.7	-179	170.2	0	0	113.5	K29 T78 S82	K29-E80 PolarHBondContact NZ-O 3.4Å; T78-E80 PolarHBondContact O-N 3.02Å; E80-S82 VanDerWaalsContact C-N 3.31Å
81	D	83.1	Confident	86.4	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.037	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-83.7	-6.9	175.5	-60.5	-45.9	0	0	0	113.3	K29 K58 T78 S79 A83 Y85	K29-D81 IonicContact NZ-OD1 2.57Å; K58-D81 WeakPolarHBondContact CE-OD1 3.47Å; K58-D81 WeakPolarHBondContact CE-OD2 3.27Å; K58-D81 IonicContact NZ-OD1 3.18Å; K58-D81 PolarHBondContact NZ-OD1 2.83Å; K58-D81 IonicContact NZ-OD2 3.02Å; K58-D81 PolarHBondContact NZ-OD2 2.78Å; T78-D81 PolarHBondContact N-OD2 2.76Å; T78-D81 WeakPolarHBondContact O-CB 3.44Å; T78-D81 PolarHBondContact O-N 3.02Å; T78-D81 PolarHBondContact OG1-OD2 3.31Å; S79-D81 PolarHBondContact O-N 3.16Å; D81-A83 PolarHBondContact O-N 2.62Å; D81-Y85 WeakPolarHBondContact O-CE2 3.41Å; D81-Y85 PolarHBondContact O-OH 3.16Å
82	S	85.3	Confident	85.9	Confident	97 Å²	97	72.7 Å²	72.7	68%	0.678	39%	0.388	S	S	*	.			trans	-64.2	102.3	174.2	-160.8	0	0	0	0	110	S79 E80	S79-S82 WeakPolarHBondContact O-CB 3.34Å; S79-S82 PolarHBondContact O-N 3.43Å; E80-S82 VanDerWaalsContact C-N 3.31Å
83	A	87.6	Confident	85.4	Confident	22 Å²	22	76.5 Å²	76.5	18%	0.182	41%	0.408	C	S	.	.	S	Bend	trans	-159.7	167.4	-171.8	0	0	0	0	0	110.5	K29 Q30 D81 Y85	K29-A83 HydrophobicContact CD-CB 4.11Å; K29-A83 VanDerWaalsContact CE-CB 3.43Å; K29-A83 HydrophobicContact CG-CB 3.53Å; Q30-A83 WeakPolarHBondContact O-CB 3.45Å; D81-A83 PolarHBondContact O-N 2.62Å; A83-Y85 HydrophobicContact CB-CE2 4.19Å
84	I	87.7	Confident	84.9	Confident	91 Å²	91	77.6 Å²	77.6	47%	0.467	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131	166.9	-60.9	172.4	0	0	0	107.5	Q30	Q30-I84 HydrophobicContact CB-CB 4.28Å; Q30-I84 PolarHBondContact N-O 2.81Å; Q30-I84 PolarHBondContact O-N 3.44Å
85	Y	89.9	Confident	84.4	Confident	36 Å²	36	82.1 Å²	82.1	14%	0.141	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117.5	176.5	-69.4	-84	0	0	0	109.1	I11 V28 K29 I39 M72 L74 D81 A83	I11-Y85 HydrophobicContact CD1-CD2 3.77Å; I11-Y85 HydrophobicContact CD1-CG 3.73Å; V28-Y85 WeakPolarHBondContact O-CA 3.46Å; K29-Y85 HydrophobicContact CB-CD1 4.1Å; K29-Y85 HydrophobicContact CB-CE1 3.84Å; K29-Y85 HydrophobicContact CD-CE1 4.03Å; K29-Y85 HydrophobicContact CG-CD1 4.24Å; K29-Y85 HydrophobicContact CG-CE1 3.7Å; I39-Y85 HydrophobicContact CD1-CD1 3.67Å; I39-Y85 HydrophobicContact CD1-CE1 3.81Å; M72-Y85 HydrophobicContact CE-CD1 3.55Å; M72-Y85 HydrophobicContact CE-CE1 4.2Å; M72-Y85 HydrophobicContact CE-CG 3.95Å; L74-Y85 HydrophobicContact CD1-CD1 3.98Å; L74-Y85 HydrophobicContact CD1-CD2 4.27Å; L74-Y85 HydrophobicContact CD1-CE1 3.44Å; L74-Y85 VanDerWaalsContact CD1-CE1 3.44Å; L74-Y85 HydrophobicContact CD1-CE2 3.79Å; L74-Y85 HydrophobicContact CD1-CG 4.34Å; D81-Y85 WeakPolarHBondContact O-CE2 3.41Å; D81-Y85 PolarHBondContact O-OH 3.16Å; A83-Y85 HydrophobicContact CB-CE2 4.19Å
86	C	87.7	Confident	83.9	Confident	50 Å²	50	80.3 Å²	80.3	34%	0.338	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	147	-177.1	-64.4	0	0	0	0	110.1	V28	V28-C86 PolarHBondContact N-O 2.73Å; V28-C86 PolarHBondContact O-N 2.95Å
87	W	88.3	Confident	83.5	Confident	120 Å²	120	80.3 Å²	80.3	46%	0.455	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	153.3	163.6	74.4	69.3	0	0	0	110.2	C13 H26	C13-W87 HydrophobicContact CB-CD2 3.59Å; C13-W87 HydrophobicContact CB-CE3 3.12Å; C13-W87 HydrophobicContact CB-CG 4.26Å; C13-W87 HydrophobicContact CB-CH2 3.8Å; C13-W87 HydrophobicContact CB-CZ2 4.23Å; C13-W87 HydrophobicContact CB-CZ3 3.25Å; C13-W87 VanDerWaalsContact SG-CG 3.59Å; C13-W87 VanDerWaalsContact SG-CH2 3.5Å; C13-W87 WeakPolarHBondContact SG-CZ2 2.95Å; C13-W87 VanDerWaalsContact SG-CZ3 3.52Å; H26-W87 CarbonylContact O-C 3.49Å; H26-W87 VanDerWaalsContact O-CA 3.24Å; H26-W87 WeakPolarHBondContact O-CA 3.44Å
88	A	86.6	Confident	83.3	Confident	44 Å²	44	84.7 Å²	84.7	36%	0.364	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.3	169.2	0	0	0	0	0	110.1	H26	H26-A88 HydrophobicContact CB-CB 4.48Å; H26-A88 PolarHBondContact N-O 2.99Å; H26-A88 PolarHBondContact O-N 3.2Å
89	R	84.8	Confident	83.1	Confident	116 Å²	116	86.5 Å²	86.5	44%	0.438	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.7	165.7	-178.9	-173.5	70.9	171.3	2.7	107.7	Y23	Y23-R89 HydrophobicContact CD1-CG 4.04Å; Y23-R89 HydrophobicContact CG-CG 3.85Å
90	F	75.1	Confident	83.2	Confident	138 Å²	138	85 Å²	85	61%	0.605	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.6	170.3	-155	-94.3	0	0	0	109.6	Y24 H26	Y24-F90 PolarHBondContact O-N 3.41Å; H26-F90 WeakPolarHBondContact NE2-CB 3.14Å
91	T	61.5	Low	83.4	Confident	143 Å²	143	78.5 Å²	78.5	88%	0.877	42%	0.417	S	S	*	.			trans	-99.5	0	-177.5	55.1	0	0	0	0	111.2	Y23	Y23-T91 HydrophobicContact CD1-CG2 4.18Å; Y23-T91 HydrophobicContact CE1-CG2 3.88Å

Retrieved 91 of 91 residues in 20 ms (Link to these results)

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