X5J562_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J562, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 86 aa.

						>X5J562_MOUSE|X5J562
GGLVQPGGSLKLSCAASGFDFSRYWMTWVRQAPGKGLEWIGEINPDSSTINYTPSLKDKFTISRDNAKNSLYLQMSTVRSEDTALY
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	59.3	Low	82.6	Confident	106 Å²	106	89.5 Å²	89.5	100%	1.093	59%	0.591	S	S	*	*				0	156.5	0	0	0	0	0	0	109.3
2	G	73.7	Confident	83.7	Confident	53 Å²	53	83.5 Å²	83.5	55%	0.546	55%	0.549	S	S	.	.			trans	-99.2	165.9	175.7	0	0	0	0	0	112.3
3	L	76.1	Confident	84.8	Confident	190 Å²	190	83.9 Å²	83.9	100%	0.995	56%	0.555	S	S	*	*			trans	-67.6	130.7	166.1	-74.7	154	0	0	0	109
4	V	82.7	Confident	85.6	Confident	57 Å²	57	81.9 Å²	81.9	35%	0.345	54%	0.541	S	S	.	.			trans	-128.9	139.3	177.4	-179.5	0	0	0	0	108.4	L10	V4-L10 HydrophobicContact CG2-CB 4.08Å; V4-L10 HydrophobicContact CG2-CD1 3.78Å; V4-L10 HydrophobicContact CG2-CD2 4.13Å; V4-L10 HydrophobicContact CG2-CG 4.2Å
5	Q	81.9	Confident	86.4	Confident	166 Å²	166	81.8 Å²	81.8	78%	0.776	55%	0.55	S	S	*	*			trans	-69.4	147.5	175.3	-68.7	-160.1	-6.6	0	0	111	G7 G8	Q5-G7 PolarHBondContact O-N 3.05Å; Q5-G8 PolarHBondContact O-N 3.33Å; Q5-G8 VanDerWaalsContact O-N 3.13Å
6	P	84.3	Confident	87	Confident	101 Å²	101	77.9 Å²	77.9	66%	0.656	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	140.3	173.4	-25.8	34.5	0	0	0	112.1	G8 V78	P6-G8 VanDerWaalsContact C-N 3.31Å; P6-V78 CarbonylContact C-O 3.39Å; P6-V78 VanDerWaalsContact CA-O 3.25Å; P6-V78 WeakPolarHBondContact CA-O 3.3Å
7	G	85.3	Confident	87.6	Confident	52 Å²	52	79.6 Å²	79.6	54%	0.536	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-13.1	-175.6	0	0	0	0	0	114.6	Q5 V78	Q5-G7 PolarHBondContact O-N 3.05Å; G7-V78 PolarHBondContact N-O 3.45Å
8	G	88.4	Confident	88.1	Confident	28 Å²	28	80.2 Å²	80.2	29%	0.289	56%	0.56	S	S	.	*			trans	-75.6	172.3	173.3	0	0	0	0	0	113.6	Q5 P6 T77 V78	Q5-G8 PolarHBondContact O-N 3.33Å; Q5-G8 VanDerWaalsContact O-N 3.13Å; P6-G8 VanDerWaalsContact C-N 3.31Å; G8-T77 CarbonylContact O-C 3.52Å; G8-T77 WeakPolarHBondContact O-CA 3.25Å; G8-T77 PolarHBondContact O-N 3.43Å; G8-V78 PolarHBondContact O-N 3.06Å
9	S	90.4	Very high	88.5	Confident	84 Å²	84	80.8 Å²	80.8	59%	0.587	55%	0.552	S	S	*	*			trans	-105.2	148	167.9	62.6	0	0	0	0	110.2	M75	S9-M75 WeakPolarHBondContact CA-O 3.49Å; S9-M75 WeakPolarHBondContact CB-O 3.31Å
10	L	92.6	Very high	88.9	Confident	35 Å²	35	80.6 Å²	80.6	18%	0.183	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	136.8	177.9	176.9	59.2	0	0	0	109.2	V4 L12 Q74 M75 V78	V4-L10 HydrophobicContact CG2-CB 4.08Å; V4-L10 HydrophobicContact CG2-CD1 3.78Å; V4-L10 HydrophobicContact CG2-CD2 4.13Å; V4-L10 HydrophobicContact CG2-CG 4.2Å; L10-L12 HydrophobicContact CD1-CD2 4.39Å; L10-L12 HydrophobicContact CD2-CD2 4.04Å; L10-L12 HydrophobicContact CG-CD2 4.14Å; L10-Q74 PolarHBondContact O-NE2 3.49Å; L10-M75 HydrophobicContact CB-CB 4.47Å; L10-M75 HydrophobicContact CB-CE 3.87Å; L10-M75 HydrophobicContact CD2-CE 3.6Å; L10-M75 HydrophobicContact CD2-SD 4.46Å; L10-M75 HydrophobicContact CG-CE 3.62Å; L10-M75 PolarHBondContact N-O 2.96Å; L10-M75 PolarHBondContact O-N 3.24Å; L10-V78 HydrophobicContact CB-CG2 3.97Å
11	K	94.5	Very high	89.3	Confident	113 Å²	113	76.8 Å²	76.8	49%	0.491	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.5	171.7	-168.8	174.5	179.3	175.9	0	109.4	L73	K11-L73 WeakPolarHBondContact CA-O 3.29Å
12	L	95.9	Very high	91	Very high	17 Å²	17	73.9 Å²	73.9	9%	0.089	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	151.4	170	-56.2	179.4	0	0	0	109.9	L10 W28 Y72 L73 M75 Y86	L10-L12 HydrophobicContact CD1-CD2 4.39Å; L10-L12 HydrophobicContact CD2-CD2 4.04Å; L10-L12 HydrophobicContact CG-CD2 4.14Å; L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.29Å; L12-W28 HydrophobicContact CB-CZ3 4.42Å; L12-W28 HydrophobicContact CD1-CH2 4.44Å; L12-W28 HydrophobicContact CD1-CZ3 4.21Å; L12-Y72 VanDerWaalsContact O-CA 3.22Å; L12-Y72 WeakPolarHBondContact O-CA 3.43Å; L12-L73 HydrophobicContact CB-CB 4.26Å; L12-L73 HydrophobicContact CD1-CD2 4.32Å; L12-L73 PolarHBondContact N-O 3.25Å; L12-L73 PolarHBondContact O-N 2.92Å; L12-L73 VanDerWaalsContact O-N 3.08Å; L12-M75 HydrophobicContact CD1-CE 3.72Å; L12-M75 HydrophobicContact CD2-CE 4.24Å; L12-M75 HydrophobicContact CG-CE 3.56Å; L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.34Å; L12-Y86 HydrophobicContact CD1-CG 3.82Å
13	S	97.1	Very high	92.1	Very high	89 Å²	89	80.4 Å²	80.4	62%	0.622	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.9	175.4	58.7	0	0	0	0	110	L71	S13-L71 CarbonylContact C-O 3.49Å; S13-L71 WeakPolarHBondContact CA-O 3.36Å
14	C	96.5	Very high	93.2	Very high	55 Å²	55	77.7 Å²	77.7	37%	0.372	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	115.1	171.7	177.3	0	0	0	0	108.1	W28 S70 L71	C14-W28 HydrophobicContact CB-CH2 4.1Å; C14-W28 HydrophobicContact CB-CZ2 4.11Å; C14-S70 CarbonylContact O-C 3.54Å; C14-S70 WeakPolarHBondContact O-CA 3.31Å; C14-L71 HydrophobicContact CB-CB 4.31Å; C14-L71 PolarHBondContact N-O 3.14Å; C14-L71 PolarHBondContact O-N 3.03Å
15	A	97.5	Very high	93.9	Very high	81 Å²	81	80.6 Å²	80.6	67%	0.669	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.5	175.1	0	0	0	0	0	109.2
16	A	96.6	Very high	94.7	Very high	19 Å²	19	74.1 Å²	74.1	16%	0.157	44%	0.442	C	S	.	.			trans	-96.6	147.2	-178.6	0	0	0	0	0	111.5	F19 F21 N69	A16-F19 HydrophobicContact CB-CE1 3.71Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; A16-F21 HydrophobicContact CB-CB 4.46Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 4.12Å; A16-F21 HydrophobicContact CB-CG 4.33Å; A16-N69 PolarHBondContact N-O 2.8Å
17	S	97.1	Very high	95.3	Very high	107 Å²	107	72.4 Å²	72.4	75%	0.748	43%	0.43	S	S	*	.			trans	-148	159.3	172.3	62.2	0	0	0	0	109.9	F19	S17-F19 WeakPolarHBondContact O-CD1 3.4Å
18	G	96.9	Very high	95.9	Very high	90 Å²	90	70.8 Å²	70.8	93%	0.928	41%	0.408	S	S	*	.	S	Bend	trans	85.3	1.5	177.1	0	0	0	0	0	115.8
19	F	95.1	Very high	96.4	Very high	92 Å²	92	72 Å²	72	40%	0.404	41%	0.41	S	S	.	.	S	Bend	trans	-151.6	165	173.4	66.7	-81.8	0	0	0	111.4	A16 S17 F21 Y24 M26	A16-F19 HydrophobicContact CB-CE1 3.71Å; A16-F19 HydrophobicContact CB-CZ 3.63Å; S17-F19 WeakPolarHBondContact O-CD1 3.4Å; F19-F21 HydrophobicContact CE2-CB 4.3Å; F19-F21 HydrophobicContact CE2-CD2 4.3Å; F19-F21 HydrophobicContact CZ-CD2 4.26Å; F19-F21 PolarHBondContact O-N 2.83Å; F19-Y24 AromaticContact CD2-CD2 3.71Å; F19-Y24 HydrophobicContact CD2-CD2 3.71Å; F19-Y24 HydrophobicContact CD2-CE2 4.13Å; F19-Y24 HydrophobicContact CE2-CD2 4.19Å; F19-M26 HydrophobicContact CE2-SD 4.19Å; F19-M26 HydrophobicContact CZ-CE 4.28Å; F19-M26 HydrophobicContact CZ-SD 4.23Å
20	D	96.2	Very high	96.6	Very high	77 Å²	77	69 Å²	69	41%	0.412	39%	0.386	S	S	.	.			trans	-75.5	89.2	173.5	-176.4	-6.1	0	0	0	110.2	S22 R23 Y24	D20-S22 PolarHBondContact O-N 2.79Å; D20-S22 VanDerWaalsContact O-N 3.1Å; D20-S22 WeakPolarHBondContact OD1-CB 3.22Å; D20-S22 PolarHBondContact OD1-N 3.46Å; D20-S22 VanDerWaalsContact OD1-N 3.14Å; D20-S22 PolarHBondContact OD1-OG 2.79Å; D20-R23 HydrophobicContact CB-CG 4.44Å; D20-R23 PolarHBondContact O-N 3.2Å; D20-R23 VanDerWaalsContact O-N 3.1Å; D20-R23 WeakPolarHBondContact OD2-CD 3.21Å; D20-R23 VanDerWaalsContact OD2-CG 3.28Å; D20-R23 WeakPolarHBondContact OD2-CG 3.48Å; D20-R23 IonicContact OD2-NE 3.81Å; D20-Y24 VanDerWaalsContact O-CD2 3.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.29Å
21	F	96.8	Very high	96.8	Very high	1 Å²	1	71.3 Å²	71.3	0%	0.004	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-50.1	-36.8	-179.7	179.3	-97.4	0	0	0	112.7	A16 F19 R23 Y24 M26 R64 N66 N69 L71	A16-F21 HydrophobicContact CB-CB 4.46Å; A16-F21 HydrophobicContact CB-CD2 3.49Å; A16-F21 VanDerWaalsContact CB-CD2 3.49Å; A16-F21 HydrophobicContact CB-CE2 4.12Å; A16-F21 HydrophobicContact CB-CG 4.33Å; F19-F21 HydrophobicContact CE2-CB 4.3Å; F19-F21 HydrophobicContact CE2-CD2 4.3Å; F19-F21 HydrophobicContact CZ-CD2 4.26Å; F19-F21 PolarHBondContact O-N 2.83Å; F21-R23 PolarHBondContact O-N 3.25Å; F21-R23 VanDerWaalsContact O-N 3.16Å; F21-Y24 PolarHBondContact O-N 3.07Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CD2-CG 4.26Å; F21-M26 HydrophobicContact CD2-SD 3.98Å; F21-M26 HydrophobicContact CE2-CE 3.85Å; F21-M26 HydrophobicContact CE2-CG 3.68Å; F21-M26 HydrophobicContact CE2-SD 3.86Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; F21-R64 HydrophobicContact CE1-CB 4.2Å; F21-R64 VanDerWaalsContact CE1-NH2 3.35Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 3.23Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.25Å; F21-N66 VanDerWaalsContact CE1-OD1 3.31Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.06Å; F21-N69 HydrophobicContact CB-CB 4.02Å; F21-N69 WeakPolarHBondContact CB-OD1 3.23Å; F21-N69 HydrophobicContact CD1-CB 4.49Å; F21-N69 HydrophobicContact CG-CB 4.19Å; F21-L71 HydrophobicContact CE2-CB 4.31Å; F21-L71 HydrophobicContact CZ-CB 4.18Å
22	S	96.4	Very high	96.8	Very high	44 Å²	44	66.7 Å²	66.7	31%	0.308	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-67	-16.3	-174.9	77.2	0	0	0	0	113.9	D20 P45	D20-S22 PolarHBondContact O-N 2.79Å; D20-S22 VanDerWaalsContact O-N 3.1Å; D20-S22 WeakPolarHBondContact OD1-CB 3.22Å; D20-S22 PolarHBondContact OD1-N 3.46Å; D20-S22 VanDerWaalsContact OD1-N 3.14Å; D20-S22 PolarHBondContact OD1-OG 2.79Å; S22-P45 VanDerWaalsContact O-CB 3.26Å; S22-P45 WeakPolarHBondContact O-CB 3.41Å
23	R	97	Very high	96.7	Very high	190 Å²	190	71.1 Å²	71.1	72%	0.717	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-95.9	-14.2	-175.9	-75.2	-170.8	148.7	-167.9	-9.4	115.3	D20 F21	D20-R23 HydrophobicContact CB-CG 4.44Å; D20-R23 PolarHBondContact O-N 3.2Å; D20-R23 VanDerWaalsContact O-N 3.1Å; D20-R23 WeakPolarHBondContact OD2-CD 3.21Å; D20-R23 VanDerWaalsContact OD2-CG 3.28Å; D20-R23 WeakPolarHBondContact OD2-CG 3.48Å; D20-R23 IonicContact OD2-NE 3.81Å; F21-R23 PolarHBondContact O-N 3.25Å; F21-R23 VanDerWaalsContact O-N 3.16Å
24	Y	97.2	Very high	96.6	Very high	134 Å²	134	71.3 Å²	71.3	53%	0.525	43%	0.425	S	S	.	.	S	Bend	trans	-108.7	149.4	-173.1	-63.6	-83.1	0	0	0	112.2	F19 D20 F21 R64	F19-Y24 AromaticContact CD2-CD2 3.71Å; F19-Y24 HydrophobicContact CD2-CD2 3.71Å; F19-Y24 HydrophobicContact CD2-CE2 4.13Å; F19-Y24 HydrophobicContact CE2-CD2 4.19Å; D20-Y24 VanDerWaalsContact O-CD2 3.23Å; D20-Y24 WeakPolarHBondContact O-CD2 3.29Å; F21-Y24 PolarHBondContact O-N 3.07Å; Y24-R64 PolarHBondContact O-NH1 2.74Å
25	W	98.1	Very high	96.5	Very high	118 Å²	118	75.5 Å²	75.5	45%	0.447	44%	0.437	S	S	.	.			trans	-65.9	141.2	160.8	-73.3	65.6	0	0	0	108.6	E42 I43 N44 T49	W25-E42 HydrophobicContact CE3-CB 4.17Å; W25-E42 HydrophobicContact CE3-CG 3.5Å; W25-E42 VanDerWaalsContact CE3-CG 3.5Å; W25-E42 HydrophobicContact CZ3-CG 3.62Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.33Å; W25-I43 WeakPolarHBondContact CA-O 3.45Å; W25-N44 HydrophobicContact CD2-CB 3.79Å; W25-N44 VanDerWaalsContact CE2-CB 3.47Å; W25-N44 HydrophobicContact CE3-CB 4.02Å; W25-N44 HydrophobicContact CH2-CB 3.75Å; W25-N44 HydrophobicContact CZ2-CB 3.47Å; W25-N44 VanDerWaalsContact CZ2-CB 3.47Å; W25-N44 HydrophobicContact CZ3-CB 4.01Å; W25-T49 HydrophobicContact CH2-CG2 4.04Å
26	M	98.3	Very high	96.4	Very high	29 Å²	29	74.2 Å²	74.2	14%	0.143	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	137.3	-179.6	-63.5	-57.5	-56.9	0	0	109.1	F19 F21 E42 I43 L71	F19-M26 HydrophobicContact CE2-SD 4.19Å; F19-M26 HydrophobicContact CZ-CE 4.28Å; F19-M26 HydrophobicContact CZ-SD 4.23Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CD2-CG 4.26Å; F21-M26 HydrophobicContact CD2-SD 3.98Å; F21-M26 HydrophobicContact CE2-CE 3.85Å; F21-M26 HydrophobicContact CE2-CG 3.68Å; F21-M26 HydrophobicContact CE2-SD 3.86Å; F21-M26 HydrophobicContact CZ-CG 4.02Å; M26-E42 CarbonylContact O-C 3.49Å; M26-E42 WeakPolarHBondContact O-CA 3.32Å; M26-E42 WeakPolarHBondContact O-CB 3.25Å; M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 2.79Å; M26-L71 HydrophobicContact CB-CD1 3.69Å; M26-L71 HydrophobicContact CB-CD2 3.86Å; M26-L71 HydrophobicContact CB-CG 4.32Å; M26-L71 HydrophobicContact CE-CD2 4.5Å; M26-L71 HydrophobicContact CG-CD1 4.45Å
27	T	97.9	Very high	96.4	Very high	66 Å²	66	79.7 Å²	79.7	41%	0.405	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	151	-174.9	-170.2	0	0	0	0	112.1	W39 G41	T27-W39 VanDerWaalsContact OG1-CD1 3.22Å; T27-W39 PolarHBondContact OG1-NE1 2.56Å; T27-G41 WeakPolarHBondContact CA-O 3.38Å; T27-G41 PolarHBondContact OG1-O 3.43Å
28	W	98.2	Very high	96.3	Very high	17 Å²	17	77.4 Å²	77.4	6%	0.064	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.2	164.1	-78.2	98.2	0	0	0	109.7	L12 C14 I40 G41 L71 Y72 L73	L12-W28 HydrophobicContact CB-CH2 3.82Å; L12-W28 HydrophobicContact CB-CZ2 4.29Å; L12-W28 HydrophobicContact CB-CZ3 4.42Å; L12-W28 HydrophobicContact CD1-CH2 4.44Å; L12-W28 HydrophobicContact CD1-CZ3 4.21Å; C14-W28 HydrophobicContact CB-CH2 4.1Å; C14-W28 HydrophobicContact CB-CZ2 4.11Å; W28-I40 HydrophobicContact CB-CB 4.08Å; W28-I40 HydrophobicContact CB-CD1 4.2Å; W28-I40 WeakPolarHBondContact O-CB 3.47Å; W28-I40 PolarHBondContact O-N 2.83Å; W28-G41 PolarHBondContact N-O 3.32Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.37Å; W28-L71 HydrophobicContact CZ2-CD2 4.31Å; W28-L71 HydrophobicContact CZ2-CG 4.45Å; W28-Y72 PolarHBondContact NE1-O 2.97Å; W28-L73 HydrophobicContact CB-CD1 4.37Å; W28-L73 HydrophobicContact CB-CD2 4.48Å; W28-L73 HydrophobicContact CD2-CB 3.91Å; W28-L73 HydrophobicContact CD2-CD2 4.07Å; W28-L73 HydrophobicContact CD2-CG 4.41Å; W28-L73 HydrophobicContact CE3-CB 4.5Å; W28-L73 HydrophobicContact CE3-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.23Å; W28-L73 HydrophobicContact CG-CD1 4.03Å; W28-L73 HydrophobicContact CG-CD2 4.2Å; W28-L73 HydrophobicContact CG-CG 4.4Å; W28-L73 HydrophobicContact CZ2-CB 3.92Å
29	V	97.4	Very high	96.3	Very high	55 Å²	55	77.5 Å²	77.5	33%	0.333	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	160	171.4	-63.5	0	0	0	0	108	E38 Y86	V29-E38 CarbonylContact C-O 3.52Å; V29-E38 VanDerWaalsContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; V29-Y86 VanDerWaalsContact O-OXT 3.05Å
30	R	95.8	Very high	96.4	Very high	20 Å²	20	73.1 Å²	73.1	8%	0.075	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.6	168.6	67	177.7	-170.8	178.2	0.4	112	E38 I40 L56 D82 A84 L85 Y86	R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE2 2.81Å; R30-E38 PolarHBondContact N-O 3.41Å; R30-E38 IonicContact NE-OE2 3.22Å; R30-E38 PolarHBondContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE1 2.74Å; R30-E38 IonicContact NH2-OE2 3.43Å; R30-E38 PolarHBondContact NH2-OE2 3.47Å; R30-E38 PolarHBondContact O-N 3.38Å; R30-I40 HydrophobicContact CB-CD1 4Å; R30-I40 HydrophobicContact CB-CG1 4.44Å; R30-I40 HydrophobicContact CG-CD1 4.02Å; R30-I40 HydrophobicContact CG-CG1 4.06Å; R30-L56 VanDerWaalsContact NH2-CD2 3.33Å; R30-D82 IonicContact NH1-OD1 3.27Å; R30-D82 PolarHBondContact NH1-OD1 3Å; R30-A84 HydrophobicContact CB-CB 3.96Å; R30-A84 HydrophobicContact CG-CB 4.38Å; R30-L85 CarbonylContact C-O 3.52Å; R30-L85 WeakPolarHBondContact CA-O 3.42Å; R30-L85 VanDerWaalsContact CB-O 3.29Å; R30-L85 WeakPolarHBondContact CB-O 3.23Å; R30-Y86 HydrophobicContact CB-CD1 3.73Å; R30-Y86 HydrophobicContact CB-CE1 3.81Å; R30-Y86 HydrophobicContact CB-CG 4.18Å; R30-Y86 HydrophobicContact CG-CE1 4.3Å; R30-Y86 PolarHBondContact NH1-OH 3.03Å
31	Q	96.6	Very high	96.5	Very high	83 Å²	83	69.5 Å²	69.5	39%	0.388	37%	0.368	S	S	.	.	B	Isolated β-bridge	trans	-135.1	107.6	173.6	-168.4	174.4	22	0	0	110	K35 L37 A84 L85	Q31-K35 VanDerWaalsContact CG-O 3.3Å; Q31-K35 WeakPolarHBondContact CG-O 3.33Å; Q31-K35 PolarHBondContact NE2-O 2.67Å; Q31-L37 HydrophobicContact CB-CD2 4.16Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.33Å; Q31-L85 PolarHBondContact N-O 2.94Å; Q31-L85 PolarHBondContact O-N 2.94Å
32	A	94.4	Very high	96.6	Very high	17 Å²	17	72 Å²	72	14%	0.14	38%	0.38	C	S	.	.			trans	-74.3	152.4	172.1	0	0	0	0	0	110.4	G34 K35 A84	A32-G34 PolarHBondContact O-N 2.8Å; A32-K35 HydrophobicContact CB-CB 4.23Å; A32-K35 HydrophobicContact CB-CD 4.03Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 3.43Å; A32-A84 HydrophobicContact CB-CB 4.31Å
33	P	94.3	Very high	96.7	Very high	109 Å²	109	70 Å²	70	71%	0.708	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	127.6	176	-26.2	34.7	0	0	0	111.9	K35	P33-K35 PolarHBondContact O-N 3.27Å
34	G	95.1	Very high	96.8	Very high	94 Å²	94	61.6 Å²	61.6	97%	0.969	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	6.2	-178.9	0	0	0	0	0	115.6	A32	A32-G34 PolarHBondContact O-N 2.8Å
35	K	93.7	Very high	96.8	Very high	143 Å²	143	56.9 Å²	56.9	62%	0.622	32%	0.321	S	S	*	.			trans	-112.1	161.6	175.1	-59.6	-164.6	-175.9	177.3	0	112	Q31 A32 P33	Q31-K35 VanDerWaalsContact CG-O 3.3Å; Q31-K35 WeakPolarHBondContact CG-O 3.33Å; Q31-K35 PolarHBondContact NE2-O 2.67Å; A32-K35 HydrophobicContact CB-CB 4.23Å; A32-K35 HydrophobicContact CB-CD 4.03Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 3.43Å; P33-K35 PolarHBondContact O-N 3.27Å
36	G	94.8	Very high	96.8	Very high	54 Å²	54	56.5 Å²	56.5	56%	0.557	33%	0.327	S	S	*	.			trans	-72.8	178.1	169.3	0	0	0	0	0	112.5	E38	G36-E38 PolarHBondContact O-N 2.6Å
37	L	96.3	Very high	96.7	Very high	133 Å²	133	57.6 Å²	57.6	70%	0.696	34%	0.338	S	S	*	.			trans	-64.5	130	171.8	-70.4	168.4	0	0	0	110.1	Q31	Q31-L37 HydrophobicContact CB-CD2 4.16Å
38	E	96	Very high	96.7	Very high	59 Å²	59	58.7 Å²	58.7	28%	0.276	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.8	174.3	-175.7	179.2	-162.3	0	0	108.4	V29 R30 G36 L56	V29-E38 CarbonylContact C-O 3.52Å; V29-E38 VanDerWaalsContact CA-O 3.32Å; V29-E38 WeakPolarHBondContact CA-O 3.42Å; R30-E38 HydrophobicContact CG-CB 4.13Å; R30-E38 IonicContact CZ-OE2 2.81Å; R30-E38 PolarHBondContact N-O 3.41Å; R30-E38 IonicContact NE-OE2 3.22Å; R30-E38 PolarHBondContact NE-OE2 3.13Å; R30-E38 IonicContact NH2-OE1 2.74Å; R30-E38 IonicContact NH2-OE2 3.43Å; R30-E38 PolarHBondContact NH2-OE2 3.47Å; R30-E38 PolarHBondContact O-N 3.38Å; G36-E38 PolarHBondContact O-N 2.6Å; E38-L56 HydrophobicContact CG-CD1 4.28Å
39	W	97.5	Very high	96.7	Very high	93 Å²	93	60.6 Å²	60.6	35%	0.352	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.3	173.1	-179.4	78.8	0	0	0	109.8	T27 G41 E42 N51 T53	T27-W39 VanDerWaalsContact OG1-CD1 3.22Å; T27-W39 PolarHBondContact OG1-NE1 2.56Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 VanDerWaalsContact CZ2-CA 3.43Å; W39-E42 HydrophobicContact CZ2-CB 3.96Å; W39-E42 HydrophobicContact CZ2-CG 3.72Å; W39-N51 HydrophobicContact CH2-CB 3.79Å; W39-N51 HydrophobicContact CZ2-CB 4.39Å; W39-T53 VanDerWaalsContact CE3-OG1 3.23Å; W39-T53 WeakPolarHBondContact O-CB 3.44Å; W39-T53 PolarHBondContact O-OG1 2.94Å
40	I	97.1	Very high	96.7	Very high	0 Å²	0	61 Å²	61	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-48.3	178.5	-61.7	179.8	0	0	0	110	W28 R30 Y52 T53 L56 F60 L73 Y86	W28-I40 HydrophobicContact CB-CB 4.08Å; W28-I40 HydrophobicContact CB-CD1 4.2Å; W28-I40 WeakPolarHBondContact O-CB 3.47Å; W28-I40 PolarHBondContact O-N 2.83Å; R30-I40 HydrophobicContact CB-CD1 4Å; R30-I40 HydrophobicContact CB-CG1 4.44Å; R30-I40 HydrophobicContact CG-CD1 4.02Å; R30-I40 HydrophobicContact CG-CG1 4.06Å; I40-Y52 WeakPolarHBondContact O-CA 3.38Å; I40-T53 PolarHBondContact O-N 3.39Å; I40-L56 HydrophobicContact CB-CD1 4.42Å; I40-L56 HydrophobicContact CG1-CD1 4.11Å; I40-L56 HydrophobicContact CG2-CD1 4.47Å; I40-F60 HydrophobicContact CG2-CB 4.07Å; I40-F60 HydrophobicContact CG2-CD2 4.06Å; I40-F60 HydrophobicContact CG2-CG 4Å; I40-L73 HydrophobicContact CD1-CD2 3.89Å; I40-L73 HydrophobicContact CG2-CD1 4.27Å; I40-Y86 HydrophobicContact CD1-CD1 3.68Å; I40-Y86 HydrophobicContact CD1-CE1 3.7Å
41	G	98.1	Very high	96.8	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.6	178.6	-173.5	0	0	0	0	0	112.7	T27 W28 W39 N51 I62	T27-G41 WeakPolarHBondContact CA-O 3.38Å; T27-G41 PolarHBondContact OG1-O 3.43Å; W28-G41 PolarHBondContact N-O 3.32Å; W39-G41 VanDerWaalsContact CZ2-C 3.45Å; W39-G41 VanDerWaalsContact CZ2-CA 3.43Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 2.97Å; G41-I62 VanDerWaalsContact C-CD1 3.43Å
42	E	98.4	Very high	96.9	Very high	54 Å²	54	61.3 Å²	61.3	25%	0.252	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	155.2	177.1	69.9	-173.9	165.3	0	0	111.4	W25 M26 W39 I50 N51	W25-E42 HydrophobicContact CE3-CB 4.17Å; W25-E42 HydrophobicContact CE3-CG 3.5Å; W25-E42 VanDerWaalsContact CE3-CG 3.5Å; W25-E42 HydrophobicContact CZ3-CG 3.62Å; W25-E42 WeakPolarHBondContact CZ3-OE1 3.33Å; M26-E42 CarbonylContact O-C 3.49Å; M26-E42 WeakPolarHBondContact O-CA 3.32Å; M26-E42 WeakPolarHBondContact O-CB 3.25Å; W39-E42 HydrophobicContact CZ2-CB 3.96Å; W39-E42 HydrophobicContact CZ2-CG 3.72Å; E42-I50 WeakPolarHBondContact O-CA 3.46Å; E42-I50 VanDerWaalsContact O-CG2 3.3Å; E42-I50 WeakPolarHBondContact O-CG2 3.46Å; E42-N51 HydrophobicContact CG-CB 4.09Å; E42-N51 PolarHBondContact N-O 2.8Å; E42-N51 PolarHBondContact O-N 3.03Å; E42-N51 PolarHBondContact OE1-ND2 2.88Å
43	I	98.7	Very high	97	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.5	178.5	-175.5	160.9	0	0	0	109.8	W25 M26 I50 I62 R64 L71	W25-I43 WeakPolarHBondContact CA-O 3.45Å; M26-I43 HydrophobicContact CB-CG2 4.1Å; M26-I43 PolarHBondContact N-O 2.81Å; M26-I43 PolarHBondContact O-N 2.79Å; I43-I50 HydrophobicContact CB-CG1 4.46Å; I43-I50 HydrophobicContact CB-CG2 4.48Å; I43-I50 HydrophobicContact CD1-CD1 3.91Å; I43-I50 HydrophobicContact CD1-CG1 4.01Å; I43-I50 HydrophobicContact CG1-CD1 4.47Å; I43-I50 HydrophobicContact CG1-CG1 4.01Å; I43-I62 HydrophobicContact CB-CG2 3.85Å; I43-I62 HydrophobicContact CD1-CG2 4.43Å; I43-I62 HydrophobicContact CG2-CG2 3.61Å; I43-R64 HydrophobicContact CD1-CG 3.89Å; I43-R64 HydrophobicContact CG1-CG 4.35Å; I43-L71 HydrophobicContact CG2-CD1 3.58Å
44	N	98.3	Very high	97	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.07	37%	0.369	C	S	.	.			trans	-75.9	166.1	179.1	78.6	-28.1	0	0	0	111.9	W25 D46 S47 S48 T49 R64	W25-N44 HydrophobicContact CD2-CB 3.79Å; W25-N44 VanDerWaalsContact CE2-CB 3.47Å; W25-N44 HydrophobicContact CE3-CB 4.02Å; W25-N44 HydrophobicContact CH2-CB 3.75Å; W25-N44 HydrophobicContact CZ2-CB 3.47Å; W25-N44 VanDerWaalsContact CZ2-CB 3.47Å; W25-N44 HydrophobicContact CZ3-CB 4.01Å; N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 VanDerWaalsContact CG-OD1 3.24Å; N44-D46 PolarHBondContact ND2-OD1 3.31Å; N44-D46 PolarHBondContact O-N 3.03Å; N44-D46 PolarHBondContact OD1-OD1 3.18Å; N44-S47 PolarHBondContact O-N 2.91Å; N44-S47 VanDerWaalsContact OD1-C 3.3Å; N44-S47 VanDerWaalsContact OD1-CA 3.23Å; N44-S47 WeakPolarHBondContact OD1-CA 3.22Å; N44-S47 PolarHBondContact OD1-N 2.9Å; N44-S48 PolarHBondContact ND2-OG 3.11Å; N44-S48 PolarHBondContact OD1-N 2.91Å; N44-T49 PolarHBondContact N-O 2.81Å; N44-T49 VanDerWaalsContact N-O 3.14Å; N44-T49 PolarHBondContact OD1-N 3.04Å; N44-T49 PolarHBondContact OD1-O 3.19Å; N44-T49 VanDerWaalsContact OD1-O 3.11Å; N44-R64 WeakPolarHBondContact O-CD 3.41Å; N44-R64 PolarHBondContact O-NH1 3.13Å
45	P	98.2	Very high	96.8	Very high	35 Å²	35	61.8 Å²	61.8	23%	0.227	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43	-47.2	178.6	-41.6	44.7	0	0	0	117.2	S22 R64 N66	S22-P45 VanDerWaalsContact O-CB 3.26Å; S22-P45 WeakPolarHBondContact O-CB 3.41Å; P45-R64 PolarHBondContact O-NE 3.01Å; P45-N66 PolarHBondContact O-ND2 3.16Å
46	D	96.8	Very high	96.7	Very high	110 Å²	110	55.1 Å²	55.1	59%	0.588	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	3.9	-174.2	66.3	10.1	0	0	0	113.6	N44 S48	N44-D46 VanDerWaalsContact C-N 3.34Å; N44-D46 VanDerWaalsContact CG-OD1 3.24Å; N44-D46 PolarHBondContact ND2-OD1 3.31Å; N44-D46 PolarHBondContact O-N 3.03Å; N44-D46 PolarHBondContact OD1-OD1 3.18Å; D46-S48 PolarHBondContact O-N 3.18Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.44Å; D46-S48 PolarHBondContact OD1-N 2.8Å; D46-S48 PolarHBondContact OD1-OG 3.08Å; D46-S48 PolarHBondContact OD2-OG 2.87Å
47	S	97.5	Very high	96.5	Very high	53 Å²	53	58.7 Å²	58.7	37%	0.371	32%	0.322	S	S	.	.	S	Bend	trans	62.3	11.3	-177.7	-46.1	0	0	0	0	115.5	N44 T49 R64	N44-S47 PolarHBondContact O-N 2.91Å; N44-S47 VanDerWaalsContact OD1-C 3.3Å; N44-S47 VanDerWaalsContact OD1-CA 3.23Å; N44-S47 WeakPolarHBondContact OD1-CA 3.22Å; N44-S47 PolarHBondContact OD1-N 2.9Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 3.45Å; S47-R64 WeakPolarHBondContact OG-CD 3.49Å; S47-R64 VanDerWaalsContact OG-CG 3.23Å; S47-R64 WeakPolarHBondContact OG-CG 3.3Å
48	S	97.6	Very high	96.2	Very high	88 Å²	88	59.7 Å²	59.7	62%	0.615	33%	0.328	S	S	*	.	S	Bend	trans	-72.3	-23.5	177	63.5	0	0	0	0	113.1	N44 D46	N44-S48 PolarHBondContact ND2-OG 3.11Å; N44-S48 PolarHBondContact OD1-N 2.91Å; D46-S48 PolarHBondContact O-N 3.18Å; D46-S48 VanDerWaalsContact OD1-CB 3.24Å; D46-S48 WeakPolarHBondContact OD1-CB 3.44Å; D46-S48 PolarHBondContact OD1-N 2.8Å; D46-S48 PolarHBondContact OD1-OG 3.08Å; D46-S48 PolarHBondContact OD2-OG 2.87Å
49	T	98.1	Very high	96	Very high	58 Å²	58	59.2 Å²	59.2	36%	0.356	33%	0.325	S	S	.	.			trans	-127.5	128.7	-179.5	-55.9	0	0	0	0	110.3	W25 N44 S47	W25-T49 HydrophobicContact CH2-CG2 4.04Å; N44-T49 PolarHBondContact N-O 2.81Å; N44-T49 VanDerWaalsContact N-O 3.14Å; N44-T49 PolarHBondContact OD1-N 3.04Å; N44-T49 PolarHBondContact OD1-O 3.19Å; N44-T49 VanDerWaalsContact OD1-O 3.11Å; S47-T49 VanDerWaalsContact C-N 3.29Å; S47-T49 PolarHBondContact O-N 3.45Å
50	I	98.3	Very high	95.9	Very high	64 Å²	64	54.8 Å²	54.8	33%	0.328	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	120.1	172.9	-44.7	178.3	0	0	0	108.6	E42 I43 Y52 I62	E42-I50 WeakPolarHBondContact O-CA 3.46Å; E42-I50 VanDerWaalsContact O-CG2 3.3Å; E42-I50 WeakPolarHBondContact O-CG2 3.46Å; I43-I50 HydrophobicContact CB-CG1 4.46Å; I43-I50 HydrophobicContact CB-CG2 4.48Å; I43-I50 HydrophobicContact CD1-CD1 3.91Å; I43-I50 HydrophobicContact CD1-CG1 4.01Å; I43-I50 HydrophobicContact CG1-CD1 4.47Å; I43-I50 HydrophobicContact CG1-CG1 4.01Å; I50-Y52 HydrophobicContact CB-CE2 3.9Å; I50-Y52 HydrophobicContact CG2-CD2 4.05Å; I50-Y52 HydrophobicContact CG2-CE1 4.35Å; I50-Y52 HydrophobicContact CG2-CE2 3.3Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; I50-I62 HydrophobicContact CG2-CB 4.23Å
51	N	98	Very high	95.8	Very high	68 Å²	68	58.3 Å²	58.3	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	144.9	175.3	-59.1	-41	0	0	0	109.4	W39 G41 E42	W39-N51 HydrophobicContact CH2-CB 3.79Å; W39-N51 HydrophobicContact CZ2-CB 4.39Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 2.97Å; E42-N51 HydrophobicContact CG-CB 4.09Å; E42-N51 PolarHBondContact N-O 2.8Å; E42-N51 PolarHBondContact O-N 3.03Å; E42-N51 PolarHBondContact OE1-ND2 2.88Å
52	Y	97.8	Very high	95.8	Very high	40 Å²	40	58.4 Å²	58.4	16%	0.157	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.1	179.1	-68.4	-88.2	0	0	0	110.4	I40 I50 K57 F60 I62	I40-Y52 WeakPolarHBondContact O-CA 3.38Å; I50-Y52 HydrophobicContact CB-CE2 3.9Å; I50-Y52 HydrophobicContact CG2-CD2 4.05Å; I50-Y52 HydrophobicContact CG2-CE1 4.35Å; I50-Y52 HydrophobicContact CG2-CE2 3.3Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; Y52-K57 HydrophobicContact CD2-CG 3.98Å; Y52-K57 HydrophobicContact CG-CB 4.22Å; Y52-K57 HydrophobicContact CG-CG 4.12Å; Y52-F60 WeakPolarHBondContact CE1-O 3.17Å; Y52-I62 HydrophobicContact CD1-CD1 4.4Å; Y52-I62 HydrophobicContact CE1-CB 4.47Å; Y52-I62 HydrophobicContact CE1-CD1 3.93Å; Y52-I62 HydrophobicContact CE1-CG1 3.87Å; Y52-I62 PolarHBondContact OH-N 3Å
53	T	96.1	Very high	95.8	Very high	30 Å²	30	57.9 Å²	57.9	18%	0.184	33%	0.333	C	S	.	.			trans	-61.4	127	157.9	-69.1	0	0	0	0	108.6	W39 I40 S55 L56 K57	W39-T53 VanDerWaalsContact CE3-OG1 3.23Å; W39-T53 WeakPolarHBondContact O-CB 3.44Å; W39-T53 PolarHBondContact O-OG1 2.94Å; I40-T53 PolarHBondContact O-N 3.39Å; T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.48Å; T53-S55 PolarHBondContact O-N 2.84Å; T53-S55 VanDerWaalsContact O-N 3.11Å; T53-L56 HydrophobicContact CG2-CD1 4.42Å; T53-L56 HydrophobicContact CG2-CG 4.2Å; T53-L56 PolarHBondContact O-N 2.9Å; T53-K57 PolarHBondContact O-N 3.03Å
54	P	94.3	Very high	95.8	Very high	116 Å²	116	59 Å²	59	75%	0.753	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-38.3	-172.6	-30.9	35.9	0	0	0	114.7	L56	P54-L56 PolarHBondContact O-N 2.84Å
55	S	91.3	Very high	95.8	Very high	84 Å²	84	60.2 Å²	60.2	59%	0.587	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-14.4	179.1	55.7	0	0	0	0	114.6	T53	T53-S55 VanDerWaalsContact C-N 3.26Å; T53-S55 WeakPolarHBondContact CG2-OG 3.48Å; T53-S55 PolarHBondContact O-N 2.84Å; T53-S55 VanDerWaalsContact O-N 3.11Å
56	L	91.1	Very high	95.8	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-12.7	-173.6	-57.8	-172.5	0	0	0	112.8	R30 E38 I40 T53 P54 D58 K59 F60	R30-L56 VanDerWaalsContact NH2-CD2 3.33Å; E38-L56 HydrophobicContact CG-CD1 4.28Å; I40-L56 HydrophobicContact CB-CD1 4.42Å; I40-L56 HydrophobicContact CG1-CD1 4.11Å; I40-L56 HydrophobicContact CG2-CD1 4.47Å; T53-L56 HydrophobicContact CG2-CD1 4.42Å; T53-L56 HydrophobicContact CG2-CG 4.2Å; T53-L56 PolarHBondContact O-N 2.9Å; P54-L56 PolarHBondContact O-N 2.84Å; L56-D58 VanDerWaalsContact C-N 3.28Å; L56-D58 PolarHBondContact O-N 3.2Å; L56-K59 PolarHBondContact O-N 3.29Å; L56-F60 HydrophobicContact CB-CD2 3.85Å; L56-F60 HydrophobicContact CB-CE2 4.14Å; L56-F60 HydrophobicContact CD1-CE2 4.39Å; L56-F60 HydrophobicContact CD2-CE2 4.07Å; L56-F60 HydrophobicContact CG-CE2 4.42Å; L56-F60 WeakPolarHBondContact O-CD2 3.39Å; L56-F60 PolarHBondContact O-N 2.94Å
57	K	90.5	Very high	95.8	Very high	128 Å²	128	60.8 Å²	60.8	56%	0.557	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.8	-174.9	-175.5	178.6	178.3	-178.1	0	113.9	Y52 T53 K59	Y52-K57 HydrophobicContact CD2-CG 3.98Å; Y52-K57 HydrophobicContact CG-CB 4.22Å; Y52-K57 HydrophobicContact CG-CG 4.12Å; T53-K57 PolarHBondContact O-N 3.03Å; K57-K59 VanDerWaalsContact C-N 3.34Å
58	D	90.9	Very high	95.8	Very high	154 Å²	154	64.6 Å²	64.6	82%	0.824	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.5	-176.3	-59.1	-33.5	0	0	0	113.3	L56	L56-D58 VanDerWaalsContact C-N 3.28Å; L56-D58 PolarHBondContact O-N 3.2Å
59	K	91.8	Very high	95.8	Very high	49 Å²	49	63.5 Å²	63.5	21%	0.213	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-35.1	-177.7	-69.1	-176.6	165.9	-164.1	0	113	L56 K57 S76 E81 D82	L56-K59 PolarHBondContact O-N 3.29Å; K57-K59 VanDerWaalsContact C-N 3.34Å; K59-S76 PolarHBondContact O-N 3.04Å; K59-E81 IonicContact NZ-OE1 2.67Å; K59-E81 PolarHBondContact NZ-OE1 2.63Å; K59-D82 IonicContact NZ-OD1 3.54Å; K59-D82 PolarHBondContact NZ-OD1 3.42Å
60	F	94.3	Very high	95.8	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.4	-172.1	-61.4	-83.4	0	0	0	111.3	I40 Y52 L56 L73 Q74 M75 Y86	I40-F60 HydrophobicContact CG2-CB 4.07Å; I40-F60 HydrophobicContact CG2-CD2 4.06Å; I40-F60 HydrophobicContact CG2-CG 4Å; Y52-F60 WeakPolarHBondContact CE1-O 3.17Å; L56-F60 HydrophobicContact CB-CD2 3.85Å; L56-F60 HydrophobicContact CB-CE2 4.14Å; L56-F60 HydrophobicContact CD1-CE2 4.39Å; L56-F60 HydrophobicContact CD2-CE2 4.07Å; L56-F60 HydrophobicContact CG-CE2 4.42Å; L56-F60 WeakPolarHBondContact O-CD2 3.39Å; L56-F60 PolarHBondContact O-N 2.94Å; F60-L73 HydrophobicContact CB-CD1 3.88Å; F60-L73 HydrophobicContact CD1-CD1 4Å; F60-L73 HydrophobicContact CD1-CD2 3.76Å; F60-L73 HydrophobicContact CD1-CG 3.85Å; F60-L73 HydrophobicContact CE1-CD2 4.1Å; F60-L73 HydrophobicContact CG-CD1 4.28Å; F60-Q74 CarbonylContact C-O 3.56Å; F60-Q74 VanDerWaalsContact CA-O 3.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.23Å; F60-M75 HydrophobicContact CD1-CG 3.36Å; F60-M75 HydrophobicContact CD1-SD 4.3Å; F60-M75 HydrophobicContact CE1-CG 3.24Å; F60-M75 HydrophobicContact CE1-SD 3.65Å; F60-M75 HydrophobicContact CZ-CG 4.35Å; F60-Y86 AromaticContact CE1-CE1 3.72Å; F60-Y86 HydrophobicContact CE1-CE1 3.72Å; F60-Y86 AromaticContact CZ-CE1 3.99Å; F60-Y86 HydrophobicContact CZ-CE1 3.99Å
61	T	96.7	Very high	95.8	Very high	73 Å²	73	58.4 Å²	58.4	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	114.8	169.9	-51.8	0	0	0	0	109.3	Q74	T61-Q74 PolarHBondContact N-O 3.14Å; T61-Q74 PolarHBondContact O-N 3Å
62	I	97.9	Very high	95.8	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.8	174.4	-59.1	172.1	0	0	0	108.5	G41 I43 I50 Y52 L71 Y72 L73	G41-I62 VanDerWaalsContact C-CD1 3.43Å; I43-I62 HydrophobicContact CB-CG2 3.85Å; I43-I62 HydrophobicContact CD1-CG2 4.43Å; I43-I62 HydrophobicContact CG2-CG2 3.61Å; I50-I62 HydrophobicContact CG2-CB 4.23Å; Y52-I62 HydrophobicContact CD1-CD1 4.4Å; Y52-I62 HydrophobicContact CE1-CB 4.47Å; Y52-I62 HydrophobicContact CE1-CD1 3.93Å; Y52-I62 HydrophobicContact CE1-CG1 3.87Å; Y52-I62 PolarHBondContact OH-N 3Å; I62-L71 HydrophobicContact CG2-CD1 3.98Å; I62-Y72 WeakPolarHBondContact CA-O 3.45Å; I62-L73 HydrophobicContact CG1-CD1 3.65Å
63	S	98.2	Very high	95.8	Very high	44 Å²	44	55.2 Å²	55.2	31%	0.308	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.3	171.7	53	0	0	0	0	110.4	Y72	S63-Y72 PolarHBondContact N-O 3.11Å; S63-Y72 PolarHBondContact O-N 3.02Å
64	R	98.3	Very high	95.8	Very high	25 Å²	25	56.4 Å²	56.4	9%	0.094	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	153.2	-179.4	63.7	-175.2	-67	161.7	3.8	111.3	F21 Y24 I43 N44 P45 S47 N66 S70 L71	F21-R64 HydrophobicContact CE1-CB 4.2Å; F21-R64 VanDerWaalsContact CE1-NH2 3.35Å; F21-R64 HydrophobicContact CZ-CB 4.16Å; F21-R64 PolarHBondContact O-NH2 3.23Å; Y24-R64 PolarHBondContact O-NH1 2.74Å; I43-R64 HydrophobicContact CD1-CG 3.89Å; I43-R64 HydrophobicContact CG1-CG 4.35Å; N44-R64 WeakPolarHBondContact O-CD 3.41Å; N44-R64 PolarHBondContact O-NH1 3.13Å; P45-R64 PolarHBondContact O-NE 3.01Å; S47-R64 WeakPolarHBondContact OG-CD 3.49Å; S47-R64 VanDerWaalsContact OG-CG 3.23Å; S47-R64 WeakPolarHBondContact OG-CG 3.3Å; R64-N66 PolarHBondContact NE-OD1 3.44Å; R64-N66 PolarHBondContact NH2-OD1 2.98Å; R64-S70 CarbonylContact C-O 3.46Å; R64-S70 WeakPolarHBondContact CA-O 3.35Å; R64-L71 HydrophobicContact CB-CD1 4.08Å
65	D	97.9	Very high	95.7	Very high	39 Å²	39	51.2 Å²	51.2	21%	0.209	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	104.5	171.8	-176.2	-23.9	0	0	0	108.1	A67 K68 N69 S70 Y72	D65-A67 VanDerWaalsContact C-N 3.32Å; D65-A67 PolarHBondContact O-N 2.84Å; D65-A67 WeakPolarHBondContact OD1-CB 3.3Å; D65-A67 PolarHBondContact OD1-N 2.83Å; D65-K68 HydrophobicContact CB-CB 4.21Å; D65-K68 CarbonylContact O-C 3.59Å; D65-K68 PolarHBondContact O-N 2.72Å; D65-K68 PolarHBondContact OD1-N 3.1Å; D65-K68 VanDerWaalsContact OD1-N 3.12Å; D65-K68 VanDerWaalsContact OD2-CD 3.25Å; D65-K68 WeakPolarHBondContact OD2-CD 3.31Å; D65-K68 VanDerWaalsContact OD2-CE 3.31Å; D65-K68 WeakPolarHBondContact OD2-CE 3.34Å; D65-K68 WeakPolarHBondContact OD2-CG 3.35Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 2.87Å; D65-N69 PolarHBondContact O-N 2.8Å; D65-S70 PolarHBondContact N-O 3.26Å; D65-S70 PolarHBondContact O-N 3.04Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å
66	N	97.7	Very high	95.5	Very high	58 Å²	58	50.5 Å²	50.5	31%	0.31	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-28.5	-178.1	-71	-16.2	0	0	0	112.5	F21 P45 R64 K68 N69	F21-N66 WeakPolarHBondContact CD1-OD1 3.25Å; F21-N66 VanDerWaalsContact CE1-OD1 3.31Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.06Å; P45-N66 PolarHBondContact O-ND2 3.16Å; R64-N66 PolarHBondContact NE-OD1 3.44Å; R64-N66 PolarHBondContact NH2-OD1 2.98Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.1Å; N66-N69 PolarHBondContact O-N 2.76Å; N66-N69 PolarHBondContact O-OD1 2.88Å
67	A	96.9	Very high	95.4	Very high	98 Å²	98	54.1 Å²	54.1	81%	0.81	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.4	177	0	0	0	0	0	111.7	D65	D65-A67 VanDerWaalsContact C-N 3.32Å; D65-A67 PolarHBondContact O-N 2.84Å; D65-A67 WeakPolarHBondContact OD1-CB 3.3Å; D65-A67 PolarHBondContact OD1-N 2.83Å
68	K	97.6	Very high	95.4	Very high	133 Å²	133	48.9 Å²	48.9	58%	0.578	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	3.7	177.6	-61.6	-174.4	-167.4	120	0	114.1	D65 N66 S70	D65-K68 HydrophobicContact CB-CB 4.21Å; D65-K68 CarbonylContact O-C 3.59Å; D65-K68 PolarHBondContact O-N 2.72Å; D65-K68 PolarHBondContact OD1-N 3.1Å; D65-K68 VanDerWaalsContact OD1-N 3.12Å; D65-K68 VanDerWaalsContact OD2-CD 3.25Å; D65-K68 WeakPolarHBondContact OD2-CD 3.31Å; D65-K68 VanDerWaalsContact OD2-CE 3.31Å; D65-K68 WeakPolarHBondContact OD2-CE 3.34Å; D65-K68 WeakPolarHBondContact OD2-CG 3.35Å; D65-K68 IonicContact OD2-NZ 2.74Å; D65-K68 PolarHBondContact OD2-NZ 2.87Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.1Å; K68-S70 PolarHBondContact O-N 3.5Å; K68-S70 VanDerWaalsContact O-N 3.13Å; K68-S70 PolarHBondContact O-OG 3.19Å
69	N	97.9	Very high	95.3	Very high	65 Å²	65	47.9 Å²	47.9	35%	0.348	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	46	42.3	-171.8	-61.8	-34.6	0	0	0	112.6	A16 F21 D65 N66	A16-N69 PolarHBondContact N-O 2.8Å; F21-N69 HydrophobicContact CB-CB 4.02Å; F21-N69 WeakPolarHBondContact CB-OD1 3.23Å; F21-N69 HydrophobicContact CD1-CB 4.49Å; F21-N69 HydrophobicContact CG-CB 4.19Å; D65-N69 PolarHBondContact O-N 2.8Å; N66-N69 PolarHBondContact O-N 2.76Å; N66-N69 PolarHBondContact O-OD1 2.88Å
70	S	98.1	Very high	95.2	Very high	14 Å²	14	50.1 Å²	50.1	10%	0.098	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.1	-168.9	-69.5	0	0	0	0	112	C14 R64 D65 K68 Y72	C14-S70 CarbonylContact O-C 3.54Å; C14-S70 WeakPolarHBondContact O-CA 3.31Å; R64-S70 CarbonylContact C-O 3.46Å; R64-S70 WeakPolarHBondContact CA-O 3.35Å; D65-S70 PolarHBondContact N-O 3.26Å; D65-S70 PolarHBondContact O-N 3.04Å; K68-S70 PolarHBondContact O-N 3.5Å; K68-S70 VanDerWaalsContact O-N 3.13Å; K68-S70 PolarHBondContact O-OG 3.19Å; S70-Y72 VanDerWaalsContact CB-OH 3.31Å; S70-Y72 WeakPolarHBondContact CB-OH 3.43Å
71	L	98.4	Very high	94.9	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	143.5	172.5	-173.3	72.6	0	0	0	109.5	S13 C14 F21 M26 W28 I43 I62 R64	S13-L71 CarbonylContact C-O 3.49Å; S13-L71 WeakPolarHBondContact CA-O 3.36Å; C14-L71 HydrophobicContact CB-CB 4.31Å; C14-L71 PolarHBondContact N-O 3.14Å; C14-L71 PolarHBondContact O-N 3.03Å; F21-L71 HydrophobicContact CE2-CB 4.31Å; F21-L71 HydrophobicContact CZ-CB 4.18Å; M26-L71 HydrophobicContact CB-CD1 3.69Å; M26-L71 HydrophobicContact CB-CD2 3.86Å; M26-L71 HydrophobicContact CB-CG 4.32Å; M26-L71 HydrophobicContact CE-CD2 4.5Å; M26-L71 HydrophobicContact CG-CD1 4.45Å; W28-L71 HydrophobicContact CD2-CD2 4.43Å; W28-L71 HydrophobicContact CG-CD2 4.37Å; W28-L71 HydrophobicContact CZ2-CD2 4.31Å; W28-L71 HydrophobicContact CZ2-CG 4.45Å; I43-L71 HydrophobicContact CG2-CD1 3.58Å; I62-L71 HydrophobicContact CG2-CD1 3.98Å; R64-L71 HydrophobicContact CB-CD1 4.08Å
72	Y	98.1	Very high	94.6	Very high	40 Å²	40	52.1 Å²	52.1	16%	0.157	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	146.7	-179.5	-52.3	-78	0	0	0	111.7	L12 W28 I62 S63 D65 S70	L12-Y72 VanDerWaalsContact O-CA 3.22Å; L12-Y72 WeakPolarHBondContact O-CA 3.43Å; W28-Y72 PolarHBondContact NE1-O 2.97Å; I62-Y72 WeakPolarHBondContact CA-O 3.45Å; S63-Y72 PolarHBondContact N-O 3.11Å; S63-Y72 PolarHBondContact O-N 3.02Å; D65-Y72 HydrophobicContact CB-CE2 3.92Å; S70-Y72 VanDerWaalsContact CB-OH 3.31Å; S70-Y72 WeakPolarHBondContact CB-OH 3.43Å
73	L	97.5	Very high	94.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	110.6	169.8	-170.6	69.9	0	0	0	108.4	K11 L12 W28 I40 F60 I62 Y86	K11-L73 WeakPolarHBondContact CA-O 3.29Å; L12-L73 HydrophobicContact CB-CB 4.26Å; L12-L73 HydrophobicContact CD1-CD2 4.32Å; L12-L73 PolarHBondContact N-O 3.25Å; L12-L73 PolarHBondContact O-N 2.92Å; L12-L73 VanDerWaalsContact O-N 3.08Å; W28-L73 HydrophobicContact CB-CD1 4.37Å; W28-L73 HydrophobicContact CB-CD2 4.48Å; W28-L73 HydrophobicContact CD2-CB 3.91Å; W28-L73 HydrophobicContact CD2-CD2 4.07Å; W28-L73 HydrophobicContact CD2-CG 4.41Å; W28-L73 HydrophobicContact CE3-CB 4.5Å; W28-L73 HydrophobicContact CE3-CD2 4.21Å; W28-L73 HydrophobicContact CG-CB 4.23Å; W28-L73 HydrophobicContact CG-CD1 4.03Å; W28-L73 HydrophobicContact CG-CD2 4.2Å; W28-L73 HydrophobicContact CG-CG 4.4Å; W28-L73 HydrophobicContact CZ2-CB 3.92Å; I40-L73 HydrophobicContact CD1-CD2 3.89Å; I40-L73 HydrophobicContact CG2-CD1 4.27Å; F60-L73 HydrophobicContact CB-CD1 3.88Å; F60-L73 HydrophobicContact CD1-CD1 4Å; F60-L73 HydrophobicContact CD1-CD2 3.76Å; F60-L73 HydrophobicContact CD1-CG 3.85Å; F60-L73 HydrophobicContact CE1-CD2 4.1Å; F60-L73 HydrophobicContact CG-CD1 4.28Å; I62-L73 HydrophobicContact CG1-CD1 3.65Å; L73-Y86 HydrophobicContact CD2-CD1 3.82Å; L73-Y86 HydrophobicContact CD2-CE1 4.2Å
74	Q	95.7	Very high	94.2	Very high	55 Å²	55	55.6 Å²	55.6	26%	0.257	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.4	173.1	-178.2	65.6	48.8	0	0	109.3	L10 F60 T61	L10-Q74 PolarHBondContact O-NE2 3.49Å; F60-Q74 CarbonylContact C-O 3.56Å; F60-Q74 VanDerWaalsContact CA-O 3.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.23Å; T61-Q74 PolarHBondContact N-O 3.14Å; T61-Q74 PolarHBondContact O-N 3Å
75	M	93.2	Very high	94	Very high	7 Å²	7	60.4 Å²	60.4	3%	0.034	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.1	172.1	-73.6	165.9	-87.1	0	0	109.1	S9 L10 L12 F60 V78 Y86	S9-M75 WeakPolarHBondContact CA-O 3.49Å; S9-M75 WeakPolarHBondContact CB-O 3.31Å; L10-M75 HydrophobicContact CB-CB 4.47Å; L10-M75 HydrophobicContact CB-CE 3.87Å; L10-M75 HydrophobicContact CD2-CE 3.6Å; L10-M75 HydrophobicContact CD2-SD 4.46Å; L10-M75 HydrophobicContact CG-CE 3.62Å; L10-M75 PolarHBondContact N-O 2.96Å; L10-M75 PolarHBondContact O-N 3.24Å; L12-M75 HydrophobicContact CD1-CE 3.72Å; L12-M75 HydrophobicContact CD2-CE 4.24Å; L12-M75 HydrophobicContact CG-CE 3.56Å; F60-M75 HydrophobicContact CD1-CG 3.36Å; F60-M75 HydrophobicContact CD1-SD 4.3Å; F60-M75 HydrophobicContact CE1-CG 3.24Å; F60-M75 HydrophobicContact CE1-SD 3.65Å; F60-M75 HydrophobicContact CZ-CG 4.35Å; M75-V78 HydrophobicContact CB-CG2 3.94Å; M75-Y86 HydrophobicContact SD-CE1 4.49Å
76	S	86.6	Confident	93.8	Very high	69 Å²	69	61.7 Å²	61.7	48%	0.483	34%	0.339	S	S	.	.	S	Bend	trans	-101.9	126	173.2	-64.6	0	0	0	0	109	K59	K59-S76 PolarHBondContact O-N 3.04Å
77	T	88.3	Confident	93.6	Very high	81 Å²	81	61.9 Å²	61.9	50%	0.497	34%	0.34	S	S	.	.	S	Bend	trans	57.7	68.1	177.3	-46	0	0	0	0	112.5	G8 R79	G8-T77 CarbonylContact O-C 3.52Å; G8-T77 WeakPolarHBondContact O-CA 3.25Å; G8-T77 PolarHBondContact O-N 3.43Å; T77-R79 PolarHBondContact O-N 3.32Å
78	V	90.5	Very high	93.4	Very high	18 Å²	18	60 Å²	60	11%	0.109	32%	0.316	C	S	.	.			trans	-56.7	131.8	178.9	178.2	0	0	0	0	110.2	P6 G7 G8 L10 M75 D82	P6-V78 CarbonylContact C-O 3.39Å; P6-V78 VanDerWaalsContact CA-O 3.25Å; P6-V78 WeakPolarHBondContact CA-O 3.3Å; G7-V78 PolarHBondContact N-O 3.45Å; G8-V78 PolarHBondContact O-N 3.06Å; L10-V78 HydrophobicContact CB-CG2 3.97Å; M75-V78 HydrophobicContact CB-CG2 3.94Å; V78-D82 HydrophobicContact CG1-CB 4.48Å
79	R	90.5	Very high	93.2	Very high	133 Å²	133	55.9 Å²	55.9	50%	0.502	30%	0.301	S	S	.	.			trans	-115.1	166.5	175.1	-63	172.8	-176.1	-178.3	-0.1	110.6	T77 E81 D82	T77-R79 PolarHBondContact O-N 3.32Å; R79-E81 HydrophobicContact CB-CG 3.68Å; R79-E81 VanDerWaalsContact CD-OE1 3.25Å; R79-E81 WeakPolarHBondContact CD-OE1 3.39Å; R79-E81 IonicContact NH1-OE1 3.38Å; R79-E81 PolarHBondContact NH1-OE1 3.14Å; R79-E81 PolarHBondContact O-N 2.99Å; R79-D82 PolarHBondContact N-OD2 3.12Å; R79-D82 WeakPolarHBondContact O-CB 3.45Å; R79-D82 PolarHBondContact O-N 2.8Å
80	S	88.6	Confident	92.9	Very high	96 Å²	96	55.4 Å²	55.4	67%	0.671	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-57	-36.2	176.1	51.6	0	0	0	0	112.6	D82 T83	S80-D82 PolarHBondContact O-N 3.5Å; S80-T83 VanDerWaalsContact O-CB 3.29Å; S80-T83 WeakPolarHBondContact O-CB 3.19Å; S80-T83 PolarHBondContact O-N 2.74Å; S80-T83 VanDerWaalsContact O-N 3.07Å; S80-T83 PolarHBondContact O-OG1 2.73Å
81	E	88.9	Confident	92.6	Very high	105 Å²	105	58 Å²	58	49%	0.491	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-63	-18.3	175.2	59.9	-173.2	-162.8	0	0	114.4	K59 R79 T83	K59-E81 IonicContact NZ-OE1 2.67Å; K59-E81 PolarHBondContact NZ-OE1 2.63Å; R79-E81 HydrophobicContact CB-CG 3.68Å; R79-E81 VanDerWaalsContact CD-OE1 3.25Å; R79-E81 WeakPolarHBondContact CD-OE1 3.39Å; R79-E81 IonicContact NH1-OE1 3.38Å; R79-E81 PolarHBondContact NH1-OE1 3.14Å; R79-E81 PolarHBondContact O-N 2.99Å; E81-T83 VanDerWaalsContact C-N 3.28Å
82	D	90.8	Very high	92.2	Very high	11 Å²	11	61.7 Å²	61.7	6%	0.059	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-89.6	7.2	176.5	-53	-49.8	0	0	0	111.7	R30 K59 V78 R79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.27Å; R30-D82 PolarHBondContact NH1-OD1 3Å; K59-D82 IonicContact NZ-OD1 3.54Å; K59-D82 PolarHBondContact NZ-OD1 3.42Å; V78-D82 HydrophobicContact CG1-CB 4.48Å; R79-D82 PolarHBondContact N-OD2 3.12Å; R79-D82 WeakPolarHBondContact O-CB 3.45Å; R79-D82 PolarHBondContact O-N 2.8Å; S80-D82 PolarHBondContact O-N 3.5Å; D82-A84 PolarHBondContact O-N 2.6Å; D82-Y86 VanDerWaalsContact O-CE2 3.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.24Å; D82-Y86 VanDerWaalsContact O-CZ 3.29Å; D82-Y86 PolarHBondContact O-OH 3.19Å
83	T	92.3	Very high	91.8	Very high	94 Å²	94	63.3 Å²	63.3	58%	0.577	34%	0.343	S	S	*	.			trans	-72.6	110.5	173.5	-53.9	0	0	0	0	110.2	S80 E81	S80-T83 VanDerWaalsContact O-CB 3.29Å; S80-T83 WeakPolarHBondContact O-CB 3.19Å; S80-T83 PolarHBondContact O-N 2.74Å; S80-T83 VanDerWaalsContact O-N 3.07Å; S80-T83 PolarHBondContact O-OG1 2.73Å; E81-T83 VanDerWaalsContact C-N 3.28Å
84	A	93.7	Very high	91.4	Very high	25 Å²	25	68.2 Å²	68.2	21%	0.207	37%	0.37	C	S	.	.	S	Bend	trans	-156.7	166.8	-179.7	0	0	0	0	0	110.9	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.96Å; R30-A84 HydrophobicContact CG-CB 4.38Å; Q31-A84 WeakPolarHBondContact O-CA 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.33Å; A32-A84 HydrophobicContact CB-CB 4.31Å; D82-A84 PolarHBondContact O-N 2.6Å; A84-Y86 HydrophobicContact CB-CD2 4.17Å; A84-Y86 HydrophobicContact CB-CE2 3.7Å; A84-Y86 WeakPolarHBondContact O-CD2 3.44Å; A84-Y86 WeakPolarHBondContact O-CE2 3.26Å
85	L	94.8	Very high	91	Very high	126 Å²	126	69.3 Å²	69.3	66%	0.66	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-74.5	134.2	156.1	-177.1	64.9	0	0	0	107.8	R30 Q31	R30-L85 CarbonylContact C-O 3.52Å; R30-L85 WeakPolarHBondContact CA-O 3.42Å; R30-L85 VanDerWaalsContact CB-O 3.29Å; R30-L85 WeakPolarHBondContact CB-O 3.23Å; Q31-L85 PolarHBondContact N-O 2.94Å; Q31-L85 PolarHBondContact O-N 2.94Å
86	Y	94	Very high	90.8	Very high	66 Å²	66	74.9 Å²	74.9	26%	0.259	41%	0.41	S	S	.	.			trans	-122.9	0	-178.9	-72.2	-95.9	0	0	0	110	L12 V29 R30 I40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.34Å; L12-Y86 HydrophobicContact CD1-CG 3.82Å; V29-Y86 VanDerWaalsContact O-OXT 3.05Å; R30-Y86 HydrophobicContact CB-CD1 3.73Å; R30-Y86 HydrophobicContact CB-CE1 3.81Å; R30-Y86 HydrophobicContact CB-CG 4.18Å; R30-Y86 HydrophobicContact CG-CE1 4.3Å; R30-Y86 PolarHBondContact NH1-OH 3.03Å; I40-Y86 HydrophobicContact CD1-CD1 3.68Å; I40-Y86 HydrophobicContact CD1-CE1 3.7Å; F60-Y86 AromaticContact CE1-CE1 3.72Å; F60-Y86 HydrophobicContact CE1-CE1 3.72Å; F60-Y86 AromaticContact CZ-CE1 3.99Å; F60-Y86 HydrophobicContact CZ-CE1 3.99Å; L73-Y86 HydrophobicContact CD2-CD1 3.82Å; L73-Y86 HydrophobicContact CD2-CE1 4.2Å; M75-Y86 HydrophobicContact SD-CE1 4.49Å; D82-Y86 VanDerWaalsContact O-CE2 3.22Å; D82-Y86 WeakPolarHBondContact O-CE2 3.24Å; D82-Y86 VanDerWaalsContact O-CZ 3.29Å; D82-Y86 PolarHBondContact O-OH 3.19Å; A84-Y86 HydrophobicContact CB-CD2 4.17Å; A84-Y86 HydrophobicContact CB-CE2 3.7Å; A84-Y86 WeakPolarHBondContact O-CD2 3.44Å; A84-Y86 WeakPolarHBondContact O-CE2 3.26Å

Retrieved 86 of 86 residues in 87.5 ms (Link to these results)

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