X5J4W6_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4W6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 95 aa.

						>X5J4W6_MOUSE|X5J4W6
GGLGQPGGSLKLSCETSGFTFSDCYMYGVRQTPEKRVEWVAYISNGGGSTYYPDTVKGRFTISRDNAKNTLYLQMSRLKSEDTAMYYCARHPYGS
					

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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	G	55.4	Low	82	Confident	129 Å²	129	87.1 Å²	87.1	100%	1.33	60%	0.597	S	S	*	*				0	142	0	0	0	0	0	0	108.8
2	G	68.8	Low	83.2	Confident	38 Å²	38	82.6 Å²	82.6	39%	0.392	56%	0.561	S	S	.	*			trans	-115.5	145.9	177.3	0	0	0	0	0	110.8	L10	G2-L10 WeakPolarHBondContact O-CD2 3.3Å
3	L	73.1	Confident	84.2	Confident	182 Å²	182	82.5 Å²	82.5	95%	0.953	56%	0.562	S	S	*	*			trans	-95	119	173.9	-68.2	168.6	0	0	0	108.4
4	G	74.6	Confident	85	Confident	39 Å²	39	78.6 Å²	78.6	40%	0.402	54%	0.536	S	S	.	.			trans	-108.6	142.8	173.4	0	0	0	0	0	110.6
5	Q	81.8	Confident	85.8	Confident	158 Å²	158	83.8 Å²	83.8	74%	0.738	55%	0.549	S	S	*	.			trans	-85.3	151	173.4	-68.6	176.9	-23.2	0	0	110.7	G7 G8	Q5-G7 PolarHBondContact O-N 3.23Å; Q5-G8 WeakPolarHBondContact O-CA 3.48Å; Q5-G8 PolarHBondContact O-N 2.69Å
6	P	83.8	Confident	86.2	Confident	103 Å²	103	80.5 Å²	80.5	67%	0.669	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	137.3	169.3	-24.6	34.1	0	0	0	111.5	G8	P6-G8 PolarHBondContact O-N 3.22Å; P6-G8 VanDerWaalsContact O-N 3.12Å
7	G	87.3	Confident	86.7	Confident	59 Å²	59	82.1 Å²	82.1	61%	0.608	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-15.2	-173.2	0	0	0	0	0	114.7	Q5 L78	Q5-G7 PolarHBondContact O-N 3.23Å; G7-L78 PolarHBondContact N-O 2.9Å
8	G	92.3	Very high	87	Confident	26 Å²	26	82.3 Å²	82.3	27%	0.268	56%	0.559	S	S	.	*			trans	-76.5	-174.8	178.6	0	0	0	0	0	113.9	Q5 P6 R77 L78	Q5-G8 WeakPolarHBondContact O-CA 3.48Å; Q5-G8 PolarHBondContact O-N 2.69Å; P6-G8 PolarHBondContact O-N 3.22Å; P6-G8 VanDerWaalsContact O-N 3.12Å; G8-R77 PolarHBondContact O-N 3.4Å; G8-R77 VanDerWaalsContact O-N 3.11Å; G8-L78 PolarHBondContact O-N 3.02Å; G8-L78 VanDerWaalsContact O-N 3.08Å
9	S	94.6	Very high	87.2	Confident	76 Å²	76	80.9 Å²	80.9	53%	0.531	54%	0.542	S	S	.	.			trans	-127.9	147.1	175	-59.7	0	0	0	0	110.4	M75 S76	S9-M75 CarbonylContact C-O 3.49Å; S9-M75 WeakPolarHBondContact CA-O 3.39Å; S9-M75 WeakPolarHBondContact CB-O 3.18Å; S9-S76 WeakPolarHBondContact OG-CA 3.23Å
10	L	94.7	Very high	87.6	Confident	34 Å²	34	81 Å²	81	18%	0.178	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	140.5	177.7	175	64.1	0	0	0	109.1	G2 L12 M75 L78	G2-L10 WeakPolarHBondContact O-CD2 3.3Å; L10-L12 HydrophobicContact CD2-CD2 3.94Å; L10-L12 HydrophobicContact CD2-CG 4.44Å; L10-L12 HydrophobicContact CG-CD2 4.23Å; L10-M75 HydrophobicContact CB-CE 4Å; L10-M75 HydrophobicContact CD2-CE 3.74Å; L10-M75 HydrophobicContact CG-CE 3.89Å; L10-M75 PolarHBondContact N-O 2.01Å; L10-M75 PolarHBondContact O-N 3Å; L10-L78 HydrophobicContact CB-CD1 4Å
11	K	95.8	Very high	87.9	Confident	114 Å²	114	77.1 Å²	77.1	50%	0.496	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.2	171.2	-168.2	176.9	179	-179.8	0	109.2	L73	K11-L73 WeakPolarHBondContact CA-O 3.37Å
12	L	95.9	Very high	89.8	Confident	33 Å²	33	73.1 Å²	73.1	17%	0.173	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	144.2	169.5	-61	175.9	0	0	0	109.4	L10 Y72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.94Å; L10-L12 HydrophobicContact CD2-CG 4.44Å; L10-L12 HydrophobicContact CG-CD2 4.23Å; L12-Y72 CarbonylContact O-C 3.58Å; L12-Y72 VanDerWaalsContact O-CA 3.3Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L12-L73 HydrophobicContact CB-CB 4.4Å; L12-L73 PolarHBondContact N-O 2.74Å; L12-L73 PolarHBondContact O-N 2.75Å; L12-M75 HydrophobicContact CD1-CE 3.5Å; L12-M75 VanDerWaalsContact CD1-CE 3.5Å; L12-M75 HydrophobicContact CD1-SD 4.35Å; L12-M75 HydrophobicContact CD2-CE 4.41Å; L12-M75 HydrophobicContact CG-CE 3.55Å; L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å
13	S	96.9	Very high	91	Very high	81 Å²	81	75.5 Å²	75.5	57%	0.566	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	154	171.3	58.5	0	0	0	0	110	L71	S13-L71 CarbonylContact C-O 3.6Å; S13-L71 WeakPolarHBondContact CA-O 3.2Å
14	C	95.6	Very high	92.1	Very high	29 Å²	29	67.1 Å²	67.1	20%	0.196	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	97.6	-174.7	-174.2	0	0	0	0	109.4	T70 L71 C88	C14-T70 WeakPolarHBondContact O-CA 3.35Å; C14-L71 HydrophobicContact CB-CB 4.16Å; C14-L71 PolarHBondContact N-O 2.96Å; C14-L71 PolarHBondContact O-N 2.91Å; C14-C88 HydrophobicContact CB-CB 4.15Å; C14-C88 WeakPolarHBondContact CB-SG 3.17Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.09Å
15	E	96.2	Very high	93.1	Very high	156 Å²	156	67.9 Å²	67.9	73%	0.729	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.2	178.8	-64.1	177.9	-163	0	0	108.6	T70	E15-T70 HydrophobicContact CG-CG2 3.95Å
16	T	92.7	Very high	93.9	Very high	31 Å²	31	60.4 Å²	60.4	19%	0.19	38%	0.383	C	S	.	.			trans	-128	150.7	-173	63.9	0	0	0	0	111.1	F19 F21 N69	T16-F19 HydrophobicContact CG2-CE1 4.37Å; T16-F19 HydrophobicContact CG2-CZ 3.99Å; T16-F19 WeakPolarHBondContact OG1-CZ 3.43Å; T16-F21 HydrophobicContact CG2-CE2 4.49Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.36Å; T16-N69 PolarHBondContact N-O 2.98Å; T16-N69 PolarHBondContact OG1-O 2.99Å
17	S	93.9	Very high	94.5	Very high	108 Å²	108	57.5 Å²	57.5	76%	0.755	36%	0.359	S	S	*	.			trans	-145.7	163.6	-179.9	62.2	0	0	0	0	110.4	F19	S17-F19 WeakPolarHBondContact O-CD1 3.46Å
18	G	93.1	Very high	95	Very high	86 Å²	86	55 Å²	55	89%	0.887	33%	0.332	S	S	*	.	S	Bend	trans	83.3	10.8	176.5	0	0	0	0	0	115.8
19	F	91.3	Very high	95.2	Very high	56 Å²	56	54.3 Å²	54.3	25%	0.246	32%	0.323	C	S	.	.	S	Bend	trans	-157	163.6	172.1	62.3	-83.9	0	0	0	111.3	T16 S17 F21 C24	T16-F19 HydrophobicContact CG2-CE1 4.37Å; T16-F19 HydrophobicContact CG2-CZ 3.99Å; T16-F19 WeakPolarHBondContact OG1-CZ 3.43Å; S17-F19 WeakPolarHBondContact O-CD1 3.46Å; F19-F21 HydrophobicContact CE2-CB 4.27Å; F19-F21 HydrophobicContact CE2-CD2 4.01Å; F19-F21 HydrophobicContact CZ-CD2 4.23Å; F19-F21 PolarHBondContact O-N 2.8Å; F19-F21 VanDerWaalsContact O-N 3.15Å; F19-C24 HydrophobicContact CE2-CB 4.35Å
20	T	94.1	Very high	95.3	Very high	81 Å²	81	51.6 Å²	51.6	50%	0.497	30%	0.301	S	S	.	.			trans	-75.6	100.1	173.3	-49.9	0	0	0	0	110.1	S22 D23	T20-S22 VanDerWaalsContact C-N 3.3Å; T20-S22 WeakPolarHBondContact CG2-OG 3.45Å; T20-S22 PolarHBondContact O-N 3.11Å; T20-D23 WeakPolarHBondContact CB-OD2 3.34Å; T20-D23 HydrophobicContact CG2-CB 4.17Å; T20-D23 VanDerWaalsContact CG2-CG 3.47Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.12Å; T20-D23 PolarHBondContact O-N 2.92Å; T20-D23 VanDerWaalsContact O-N 3.1Å
21	F	94.6	Very high	95.4	Very high	1 Å²	1	53 Å²	53	0%	0.004	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.3	-38.2	-175.7	-177.2	-102.3	0	0	0	113.2	T16 F19 D23 C24 M26 R64 N66 N69 L71	T16-F21 HydrophobicContact CG2-CE2 4.49Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.36Å; F19-F21 HydrophobicContact CE2-CB 4.27Å; F19-F21 HydrophobicContact CE2-CD2 4.01Å; F19-F21 HydrophobicContact CZ-CD2 4.23Å; F19-F21 PolarHBondContact O-N 2.8Å; F19-F21 VanDerWaalsContact O-N 3.15Å; F21-D23 PolarHBondContact O-N 3.12Å; F21-C24 PolarHBondContact O-N 3.46Å; F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CD2-CG 4.41Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.6Å; F21-M26 HydrophobicContact CE2-CG 3.78Å; F21-M26 HydrophobicContact CE2-SD 3.68Å; F21-M26 HydrophobicContact CZ-CE 4.46Å; F21-M26 HydrophobicContact CZ-CG 3.92Å; F21-M26 HydrophobicContact CZ-SD 4.43Å; F21-R64 HydrophobicContact CE1-CB 4.07Å; F21-R64 HydrophobicContact CZ-CB 4.21Å; F21-R64 PolarHBondContact O-NH2 2.8Å; F21-N66 VanDerWaalsContact CD1-OD1 3.32Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.46Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.28Å; F21-N69 HydrophobicContact CB-CB 4Å; F21-N69 VanDerWaalsContact CB-OD1 3.27Å; F21-N69 WeakPolarHBondContact CB-OD1 3.38Å; F21-N69 HydrophobicContact CG-CB 4.18Å; F21-L71 HydrophobicContact CZ-CB 4.27Å
22	S	94.6	Very high	95.3	Very high	45 Å²	45	48.5 Å²	48.5	32%	0.315	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-66.9	-14.2	178.1	55.1	0	0	0	0	114.6	T20 N45	T20-S22 VanDerWaalsContact C-N 3.3Å; T20-S22 WeakPolarHBondContact CG2-OG 3.45Å; T20-S22 PolarHBondContact O-N 3.11Å; S22-N45 VanDerWaalsContact O-CB 3.27Å; S22-N45 WeakPolarHBondContact O-CB 3.3Å; S22-N45 PolarHBondContact O-ND2 3.44Å; S22-N45 VanDerWaalsContact O-ND2 3.12Å
23	D	94.4	Very high	95.1	Very high	88 Å²	88	51.6 Å²	51.6	47%	0.471	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-99.2	5.8	179.4	-59.6	-11.5	0	0	0	111.7	T20 F21 Y93	T20-D23 WeakPolarHBondContact CB-OD2 3.34Å; T20-D23 HydrophobicContact CG2-CB 4.17Å; T20-D23 VanDerWaalsContact CG2-CG 3.47Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.12Å; T20-D23 PolarHBondContact O-N 2.92Å; T20-D23 VanDerWaalsContact O-N 3.1Å; F21-D23 PolarHBondContact O-N 3.12Å; D23-Y93 WeakPolarHBondContact O-CB 3.4Å; D23-Y93 PolarHBondContact O-N 3.32Å
24	C	95.5	Very high	94.9	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.3	178.9	-68.6	0	0	0	0	111.3	F19 F21 M26 N45 R64 R90 H91	F19-C24 HydrophobicContact CE2-CB 4.35Å; F21-C24 PolarHBondContact O-N 3.46Å; C24-M26 HydrophobicContact CB-SD 3.98Å; C24-N45 WeakPolarHBondContact O-CA 3.41Å; C24-R64 PolarHBondContact O-NH1 2.78Å; C24-R90 HydrophobicContact CB-CB 4.15Å; C24-H91 CarbonylContact C-O 3.59Å; C24-H91 WeakPolarHBondContact CA-O 3.38Å
25	Y	96.4	Very high	94.7	Very high	54 Å²	54	61.5 Å²	61.5	21%	0.212	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	141.1	152.4	-59.4	-53.9	0	0	0	109.7	Y42 R90 H91 Y93	Y25-Y42 AromaticContact CD1-CE2 3.83Å; Y25-Y42 HydrophobicContact CD1-CE2 3.83Å; Y25-Y42 AromaticContact CD1-CZ 3.88Å; Y25-Y42 WeakPolarHBondContact CD1-OH 3.18Å; Y25-Y42 WeakPolarHBondContact CE1-OH 3.11Å; Y25-Y42 AromaticContact CG-CE2 3.91Å; Y25-Y42 HydrophobicContact CG-CE2 3.91Å; Y25-R90 CarbonylContact O-C 3.57Å; Y25-R90 VanDerWaalsContact O-CA 3.28Å; Y25-R90 WeakPolarHBondContact O-CA 3.37Å; Y25-H91 HydrophobicContact CD2-CB 4.26Å; Y25-H91 AromaticContact CD2-CD2 3.87Å; Y25-H91 PolarHBondContact N-O 2.83Å; Y25-H91 PolarHBondContact O-N 2.96Å; Y25-Y93 AromaticContact CE1-CD2 3.68Å; Y25-Y93 HydrophobicContact CE1-CD2 3.68Å; Y25-Y93 HydrophobicContact CE1-CE2 4.18Å; Y25-Y93 AromaticContact CE2-CD2 3.98Å; Y25-Y93 HydrophobicContact CE2-CD2 3.98Å; Y25-Y93 AromaticContact CZ-CD2 3.33Å; Y25-Y93 AromaticContact CZ-CE2 3.83Å; Y25-Y93 WeakPolarHBondContact OH-CD2 3.37Å; Y25-Y93 WeakPolarHBondContact OH-CE2 3.38Å
26	M	97.4	Very high	94.5	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.6	-178.7	-60.7	-59.5	-56	0	0	110.4	F21 C24 I43 L71 R90	F21-M26 HydrophobicContact CD2-CE 4.24Å; F21-M26 HydrophobicContact CD2-CG 4.41Å; F21-M26 HydrophobicContact CD2-SD 3.95Å; F21-M26 HydrophobicContact CE2-CE 3.6Å; F21-M26 HydrophobicContact CE2-CG 3.78Å; F21-M26 HydrophobicContact CE2-SD 3.68Å; F21-M26 HydrophobicContact CZ-CE 4.46Å; F21-M26 HydrophobicContact CZ-CG 3.92Å; F21-M26 HydrophobicContact CZ-SD 4.43Å; C24-M26 HydrophobicContact CB-SD 3.98Å; M26-I43 HydrophobicContact CB-CG2 3.77Å; M26-I43 PolarHBondContact N-O 3.03Å; M26-I43 PolarHBondContact O-N 2.72Å; M26-L71 HydrophobicContact CB-CD1 3.65Å; M26-L71 HydrophobicContact CB-CD2 4.07Å; M26-L71 HydrophobicContact CB-CG 4.44Å; M26-L71 HydrophobicContact CE-CD2 4.21Å; M26-L71 HydrophobicContact CG-CD1 4.36Å; M26-R90 HydrophobicContact CE-CB 4.2Å; M26-R90 HydrophobicContact SD-CB 3.74Å
27	Y	97.6	Very high	94.6	Very high	42 Å²	42	64.7 Å²	64.7	17%	0.165	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.7	-174.9	-52.2	-107.5	0	0	0	111.5	W39 A41 Y42 C88 A89 H91	Y27-W39 VanDerWaalsContact CB-CE3 3.44Å; Y27-W39 HydrophobicContact CD1-CD2 4.3Å; Y27-W39 AromaticContact CD1-CE3 3.27Å; Y27-W39 HydrophobicContact CD1-CE3 3.27Å; Y27-W39 HydrophobicContact CD1-CH2 4.17Å; Y27-W39 AromaticContact CD1-CZ3 3.21Å; Y27-W39 HydrophobicContact CD1-CZ3 3.21Å; Y27-W39 HydrophobicContact CD2-CE3 4.44Å; Y27-W39 HydrophobicContact CD2-CH2 4.37Å; Y27-W39 AromaticContact CD2-CZ3 3.63Å; Y27-W39 HydrophobicContact CD2-CZ3 3.63Å; Y27-W39 HydrophobicContact CE1-CE3 4.07Å; Y27-W39 HydrophobicContact CE1-CH2 4.36Å; Y27-W39 AromaticContact CE1-CZ3 3.81Å; Y27-W39 HydrophobicContact CE1-CZ3 3.81Å; Y27-W39 HydrophobicContact CE2-CZ3 4.21Å; Y27-W39 AromaticContact CG-CE3 3.51Å; Y27-W39 HydrophobicContact CG-CE3 3.51Å; Y27-W39 HydrophobicContact CG-CH2 4.19Å; Y27-W39 AromaticContact CG-CZ3 3.12Å; Y27-W39 HydrophobicContact CG-CZ3 3.12Å; Y27-A41 CarbonylContact C-O 3.59Å; Y27-A41 VanDerWaalsContact CA-O 3.3Å; Y27-A41 WeakPolarHBondContact CA-O 3.32Å; Y27-Y42 AromaticContact CD1-CD2 3.64Å; Y27-Y42 HydrophobicContact CD1-CD2 3.64Å; Y27-Y42 HydrophobicContact CD1-CG 4.27Å; Y27-Y42 AromaticContact CE1-CD2 3.26Å; Y27-Y42 HydrophobicContact CE1-CD2 3.26Å; Y27-Y42 AromaticContact CE1-CE2 3.96Å; Y27-Y42 HydrophobicContact CE1-CE2 3.96Å; Y27-Y42 HydrophobicContact CE1-CG 4.13Å; Y27-Y42 HydrophobicContact CE2-CD2 4.35Å; Y27-Y42 HydrophobicContact CG-CD2 4.34Å; Y27-Y42 AromaticContact CZ-CD2 3.63Å; Y27-Y42 AromaticContact CZ-CE2 3.9Å; Y27-C88 WeakPolarHBondContact O-CA 3.2Å; Y27-A89 PolarHBondContact N-O 3.06Å; Y27-A89 PolarHBondContact O-N 3.06Å; Y27-H91 HydrophobicContact CE2-CB 3.73Å
28	G	97.5	Very high	94.7	Very high	5 Å²	5	61.5 Å²	61.5	5%	0.052	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.4	162	0	0	0	0	0	109.3	V40 A41	G28-V40 VanDerWaalsContact O-CG2 3.31Å; G28-V40 WeakPolarHBondContact O-CG2 3.37Å; G28-V40 PolarHBondContact O-N 3.2Å; G28-A41 PolarHBondContact N-O 2.86Å; G28-A41 PolarHBondContact O-N 3.2Å
29	V	97.3	Very high	94.8	Very high	13 Å²	13	64.4 Å²	64.4	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	142.8	178.7	-178.4	0	0	0	0	108.2	V37 E38 W39 Y86 Y87 A89	V29-V37 HydrophobicContact CG1-CG1 3.41Å; V29-V37 VanDerWaalsContact CG1-CG1 3.41Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.23Å; V29-W39 HydrophobicContact CG2-CD2 4.22Å; V29-W39 HydrophobicContact CG2-CE3 3.61Å; V29-W39 HydrophobicContact CG2-CZ3 3.87Å; V29-Y86 CarbonylContact O-C 3.46Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; V29-Y87 PolarHBondContact N-O 3.06Å; V29-Y87 PolarHBondContact O-N 3.02Å; V29-A89 HydrophobicContact CG2-CB 3.87Å
30	R	96.1	Very high	95.1	Very high	19 Å²	19	61.8 Å²	61.8	7%	0.072	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.4	169.2	75.6	178.4	174.3	-175.5	7.1	111.1	V37 E38 V40 D82 A84 M85 Y86	R30-V37 WeakPolarHBondContact O-CA 3.46Å; R30-E38 HydrophobicContact CG-CB 4.16Å; R30-E38 IonicContact CZ-OE2 2.97Å; R30-E38 PolarHBondContact N-O 3.08Å; R30-E38 IonicContact NE-OE2 3.58Å; R30-E38 PolarHBondContact NE-OE2 2.66Å; R30-E38 IonicContact NH2-OE2 3.32Å; R30-E38 PolarHBondContact NH2-OE2 2.81Å; R30-E38 PolarHBondContact O-N 3.34Å; R30-V40 HydrophobicContact CB-CG1 4.09Å; R30-V40 HydrophobicContact CG-CG1 3.63Å; R30-D82 IonicContact NH1-OD1 3.84Å; R30-D82 PolarHBondContact NH1-OD1 3.23Å; R30-A84 HydrophobicContact CB-CB 3.85Å; R30-A84 HydrophobicContact CG-CB 4.22Å; R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.2Å; R30-Y86 HydrophobicContact CB-CD1 3.87Å; R30-Y86 HydrophobicContact CB-CE1 3.72Å; R30-Y86 HydrophobicContact CB-CE2 4.47Å; R30-Y86 HydrophobicContact CB-CG 4.33Å
31	Q	96.3	Very high	95.3	Very high	63 Å²	63	58.1 Å²	58.1	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	115.6	169.3	-171.6	174.9	36.8	0	0	108.8	R36 V37 A84 M85 Y87	Q31-R36 CarbonylContact C-O 3.57Å; Q31-R36 VanDerWaalsContact CA-O 3.29Å; Q31-R36 WeakPolarHBondContact CA-O 3.41Å; Q31-V37 HydrophobicContact CB-CG2 4.46Å; Q31-V37 HydrophobicContact CG-CG2 4.12Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; Q31-M85 PolarHBondContact N-O 2.94Å; Q31-M85 PolarHBondContact O-N 2.95Å; Q31-Y87 HydrophobicContact CB-CD2 4.47Å; Q31-Y87 HydrophobicContact CB-CE2 3.83Å
32	T	93.8	Very high	95.4	Very high	20 Å²	20	60.6 Å²	60.6	12%	0.123	29%	0.288	C	S	.	.			trans	-71.7	163.1	178.4	76.4	0	0	0	0	110.8	E34 K35 R36	T32-E34 WeakPolarHBondContact CB-OE2 3.47Å; T32-E34 PolarHBondContact O-N 2.91Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-E34 PolarHBondContact OG1-N 3.41Å; T32-E34 PolarHBondContact OG1-OE2 3.06Å; T32-K35 WeakPolarHBondContact O-CA 3.16Å; T32-K35 PolarHBondContact O-N 3.33Å; T32-R36 HydrophobicContact CG2-CB 4.38Å; T32-R36 PolarHBondContact N-O 3.22Å; T32-R36 WeakPolarHBondContact OG1-CB 3.37Å; T32-R36 PolarHBondContact OG1-N 3.32Å
33	P	91.4	Very high	95.6	Very high	97 Å²	97	58.7 Å²	58.7	63%	0.63	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.5	174.5	-27.1	36.9	0	0	0	113.8	K35	P33-K35 PolarHBondContact O-N 2.95Å
34	E	93.1	Very high	95.7	Very high	148 Å²	148	55.1 Å²	55.1	69%	0.692	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	9	175.1	-51.8	71	-149.9	0	0	113.1	T32 R36	T32-E34 WeakPolarHBondContact CB-OE2 3.47Å; T32-E34 PolarHBondContact O-N 2.91Å; T32-E34 VanDerWaalsContact O-N 3.13Å; T32-E34 PolarHBondContact OG1-N 3.41Å; T32-E34 PolarHBondContact OG1-OE2 3.06Å; E34-R36 PolarHBondContact O-N 3.25Å
35	K	90.8	Very high	95.7	Very high	170 Å²	170	57 Å²	57	74%	0.739	27%	0.266	S	S	*	.			trans	65.8	14.7	-178.9	-52.5	-179.9	180	178	0	114.6	T32 P33 V37	T32-K35 WeakPolarHBondContact O-CA 3.16Å; T32-K35 PolarHBondContact O-N 3.33Å; P33-K35 PolarHBondContact O-N 2.95Å; K35-V37 PolarHBondContact O-N 2.9Å
36	R	92.8	Very high	95.4	Very high	163 Å²	163	57.1 Å²	57.1	62%	0.615	28%	0.283	S	S	*	.			trans	-73.6	125.2	174.1	-166	179	-149.6	-138.3	11.1	109.9	Q31 T32 E34 E38	Q31-R36 CarbonylContact C-O 3.57Å; Q31-R36 VanDerWaalsContact CA-O 3.29Å; Q31-R36 WeakPolarHBondContact CA-O 3.41Å; T32-R36 HydrophobicContact CG2-CB 4.38Å; T32-R36 PolarHBondContact N-O 3.22Å; T32-R36 WeakPolarHBondContact OG1-CB 3.37Å; T32-R36 PolarHBondContact OG1-N 3.32Å; E34-R36 PolarHBondContact O-N 3.25Å; R36-E38 WeakPolarHBondContact CD-OE1 3.35Å; R36-E38 HydrophobicContact CG-CG 4.15Å; R36-E38 IonicContact CZ-OE1 3.72Å; R36-E38 IonicContact NE-OE1 3.64Å; R36-E38 IonicContact NH1-OE1 2.66Å; R36-E38 PolarHBondContact NH1-OE1 2.7Å
37	V	94.5	Very high	95.2	Very high	91 Å²	91	58.3 Å²	58.3	55%	0.552	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.1	177.4	-178.6	0	0	0	0	109.3	V29 R30 Q31 K35	V29-V37 HydrophobicContact CG1-CG1 3.41Å; V29-V37 VanDerWaalsContact CG1-CG1 3.41Å; R30-V37 WeakPolarHBondContact O-CA 3.46Å; Q31-V37 HydrophobicContact CB-CG2 4.46Å; Q31-V37 HydrophobicContact CG-CG2 4.12Å; K35-V37 PolarHBondContact O-N 2.9Å
38	E	95.2	Very high	95.1	Very high	41 Å²	41	60 Å²	60	19%	0.192	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.6	-176.9	-59.2	-177.6	156.1	0	0	110.8	V29 R30 R36	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.23Å; R30-E38 HydrophobicContact CG-CB 4.16Å; R30-E38 IonicContact CZ-OE2 2.97Å; R30-E38 PolarHBondContact N-O 3.08Å; R30-E38 IonicContact NE-OE2 3.58Å; R30-E38 PolarHBondContact NE-OE2 2.66Å; R30-E38 IonicContact NH2-OE2 3.32Å; R30-E38 PolarHBondContact NH2-OE2 2.81Å; R30-E38 PolarHBondContact O-N 3.34Å; R36-E38 WeakPolarHBondContact CD-OE1 3.35Å; R36-E38 HydrophobicContact CG-CG 4.15Å; R36-E38 IonicContact CZ-OE1 3.72Å; R36-E38 IonicContact NE-OE1 3.64Å; R36-E38 IonicContact NH1-OE1 2.66Å; R36-E38 PolarHBondContact NH1-OE1 2.7Å
39	W	95.7	Very high	95	Very high	148 Å²	148	63.3 Å²	63.3	56%	0.561	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	129.8	168.3	-53.6	86.5	0	0	0	108.8	Y27 V29 P53 A89	Y27-W39 VanDerWaalsContact CB-CE3 3.44Å; Y27-W39 HydrophobicContact CD1-CD2 4.3Å; Y27-W39 AromaticContact CD1-CE3 3.27Å; Y27-W39 HydrophobicContact CD1-CE3 3.27Å; Y27-W39 HydrophobicContact CD1-CH2 4.17Å; Y27-W39 AromaticContact CD1-CZ3 3.21Å; Y27-W39 HydrophobicContact CD1-CZ3 3.21Å; Y27-W39 HydrophobicContact CD2-CE3 4.44Å; Y27-W39 HydrophobicContact CD2-CH2 4.37Å; Y27-W39 AromaticContact CD2-CZ3 3.63Å; Y27-W39 HydrophobicContact CD2-CZ3 3.63Å; Y27-W39 HydrophobicContact CE1-CE3 4.07Å; Y27-W39 HydrophobicContact CE1-CH2 4.36Å; Y27-W39 AromaticContact CE1-CZ3 3.81Å; Y27-W39 HydrophobicContact CE1-CZ3 3.81Å; Y27-W39 HydrophobicContact CE2-CZ3 4.21Å; Y27-W39 AromaticContact CG-CE3 3.51Å; Y27-W39 HydrophobicContact CG-CE3 3.51Å; Y27-W39 HydrophobicContact CG-CH2 4.19Å; Y27-W39 AromaticContact CG-CZ3 3.12Å; Y27-W39 HydrophobicContact CG-CZ3 3.12Å; V29-W39 HydrophobicContact CG2-CD2 4.22Å; V29-W39 HydrophobicContact CG2-CE3 3.61Å; V29-W39 HydrophobicContact CG2-CZ3 3.87Å; W39-P53 WeakPolarHBondContact O-CG 3.4Å; W39-A89 HydrophobicContact CH2-CB 4.41Å; W39-A89 HydrophobicContact CZ3-CB 4.02Å
40	V	97.4	Very high	95.1	Very high	1 Å²	1	66 Å²	66	1%	0.006	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-20.4	179	-61.6	0	0	0	0	112.8	G28 R30 P53 V56 F60 L73 Y86	G28-V40 VanDerWaalsContact O-CG2 3.31Å; G28-V40 WeakPolarHBondContact O-CG2 3.37Å; G28-V40 PolarHBondContact O-N 3.2Å; R30-V40 HydrophobicContact CB-CG1 4.09Å; R30-V40 HydrophobicContact CG-CG1 3.63Å; V40-P53 VanDerWaalsContact O-CD 3.23Å; V40-P53 WeakPolarHBondContact O-CD 3.49Å; V40-V56 HydrophobicContact CB-CG2 4.4Å; V40-V56 WeakPolarHBondContact O-CG2 3.22Å; V40-F60 HydrophobicContact CB-CD2 4.3Å; V40-F60 HydrophobicContact CB-CE2 4.47Å; V40-F60 HydrophobicContact CG2-CD2 4.48Å; V40-L73 HydrophobicContact CG2-CD2 3.95Å; V40-Y86 HydrophobicContact CG2-CD1 4.45Å; V40-Y86 HydrophobicContact CG2-CE1 4.26Å
41	A	98	Very high	95.2	Very high	3 Å²	3	72.1 Å²	72.1	3%	0.025	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	152.8	174.9	0	0	0	0	0	111.2	Y27 G28 Y51 Y52 I62 L73	Y27-A41 CarbonylContact C-O 3.59Å; Y27-A41 VanDerWaalsContact CA-O 3.3Å; Y27-A41 WeakPolarHBondContact CA-O 3.32Å; G28-A41 PolarHBondContact N-O 2.86Å; G28-A41 PolarHBondContact O-N 3.2Å; A41-Y51 CarbonylContact C-O 3.46Å; A41-Y51 WeakPolarHBondContact CA-O 3.42Å; A41-Y52 HydrophobicContact CB-CD1 3.68Å; A41-Y52 HydrophobicContact CB-CE1 3.67Å; A41-I62 HydrophobicContact CB-CB 3.68Å; A41-I62 HydrophobicContact CB-CD1 3.84Å; A41-I62 HydrophobicContact CB-CG1 4.31Å; A41-I62 HydrophobicContact CB-CG2 3.82Å; A41-L73 HydrophobicContact CB-CD1 3.98Å
42	Y	97.8	Very high	95.3	Very high	53 Å²	53	70.9 Å²	70.9	21%	0.208	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	144.2	173.4	159.1	-97	0	0	0	109.7	Y25 Y27 T50 Y51 I62	Y25-Y42 AromaticContact CD1-CE2 3.83Å; Y25-Y42 HydrophobicContact CD1-CE2 3.83Å; Y25-Y42 AromaticContact CD1-CZ 3.88Å; Y25-Y42 WeakPolarHBondContact CD1-OH 3.18Å; Y25-Y42 WeakPolarHBondContact CE1-OH 3.11Å; Y25-Y42 AromaticContact CG-CE2 3.91Å; Y25-Y42 HydrophobicContact CG-CE2 3.91Å; Y27-Y42 AromaticContact CD1-CD2 3.64Å; Y27-Y42 HydrophobicContact CD1-CD2 3.64Å; Y27-Y42 HydrophobicContact CD1-CG 4.27Å; Y27-Y42 AromaticContact CE1-CD2 3.26Å; Y27-Y42 HydrophobicContact CE1-CD2 3.26Å; Y27-Y42 AromaticContact CE1-CE2 3.96Å; Y27-Y42 HydrophobicContact CE1-CE2 3.96Å; Y27-Y42 HydrophobicContact CE1-CG 4.13Å; Y27-Y42 HydrophobicContact CE2-CD2 4.35Å; Y27-Y42 HydrophobicContact CG-CD2 4.34Å; Y27-Y42 AromaticContact CZ-CD2 3.63Å; Y27-Y42 AromaticContact CZ-CE2 3.9Å; Y42-T50 WeakPolarHBondContact O-CA 3.31Å; Y42-Y51 PolarHBondContact N-O 3.11Å; Y42-Y51 PolarHBondContact O-N 3.1Å; Y42-I62 WeakPolarHBondContact O-CG2 3.39Å
43	I	98.3	Very high	95.4	Very high	6 Å²	6	71.3 Å²	71.3	3%	0.031	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.9	168.7	-170.4	161.7	0	0	0	110.8	M26 S49 T50 I62 R64 L71	M26-I43 HydrophobicContact CB-CG2 3.77Å; M26-I43 PolarHBondContact N-O 3.03Å; M26-I43 PolarHBondContact O-N 2.72Å; I43-S49 WeakPolarHBondContact CA-O 3.39Å; I43-T50 HydrophobicContact CB-CG2 4.13Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-I62 HydrophobicContact CB-CD1 4.23Å; I43-I62 HydrophobicContact CB-CG1 4.36Å; I43-I62 HydrophobicContact CB-CG2 3.9Å; I43-I62 HydrophobicContact CG2-CD1 3.79Å; I43-I62 HydrophobicContact CG2-CG1 4.06Å; I43-R64 HydrophobicContact CD1-CB 4.25Å; I43-R64 HydrophobicContact CD1-CG 3.75Å; I43-R64 HydrophobicContact CG1-CG 4.38Å; I43-L71 HydrophobicContact CG2-CD1 3.66Å
44	S	97	Very high	95.6	Very high	13 Å²	13	73.1 Å²	73.1	9%	0.091	39%	0.39	C	S	.	.			trans	-58.3	162.6	174.9	56.5	0	0	0	0	112.9	G46 G47 G48 S49 R64	S44-G46 VanDerWaalsContact C-N 3.32Å; S44-G46 PolarHBondContact O-N 2.68Å; S44-G47 PolarHBondContact O-N 3.09Å; S44-G47 PolarHBondContact OG-N 3.32Å; S44-G48 PolarHBondContact OG-N 2.79Å; S44-S49 PolarHBondContact N-O 2.81Å; S44-S49 PolarHBondContact OG-N 3.13Å; S44-S49 PolarHBondContact OG-O 2.89Å; S44-S49 VanDerWaalsContact OG-O 3.11Å; S44-R64 WeakPolarHBondContact O-CD 3.45Å; S44-R64 PolarHBondContact O-NH1 2.9Å
45	N	94.6	Very high	95.7	Very high	45 Å²	45	70.2 Å²	70.2	24%	0.241	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-38.5	-177.8	78.6	-56.6	0	0	0	113.2	S22 C24 R64 N66	S22-N45 VanDerWaalsContact O-CB 3.27Å; S22-N45 WeakPolarHBondContact O-CB 3.3Å; S22-N45 PolarHBondContact O-ND2 3.44Å; S22-N45 VanDerWaalsContact O-ND2 3.12Å; C24-N45 WeakPolarHBondContact O-CA 3.41Å; N45-R64 PolarHBondContact O-NE 2.85Å; N45-R64 PolarHBondContact O-NH1 2.79Å; N45-R64 PolarHBondContact O-NH2 2.97Å; N45-R64 VanDerWaalsContact O-NH2 3.16Å; N45-N66 PolarHBondContact O-ND2 3.47Å
46	G	90.9	Very high	95.9	Very high	56 Å²	56	62.1 Å²	62.1	58%	0.577	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.5	173.2	0	0	0	0	0	115	S44 G48	S44-G46 VanDerWaalsContact C-N 3.32Å; S44-G46 PolarHBondContact O-N 2.68Å; G46-G48 VanDerWaalsContact C-N 3.31Å; G46-G48 PolarHBondContact O-N 2.7Å
47	G	94.1	Very high	96.1	Very high	28 Å²	28	60.8 Å²	60.8	29%	0.289	35%	0.346	S	S	.	.	S	Bend	trans	81.6	-0.9	-177.1	0	0	0	0	0	115.9	S44 S49	S44-G47 PolarHBondContact O-N 3.09Å; S44-G47 PolarHBondContact OG-N 3.32Å; G47-S49 VanDerWaalsContact C-N 3.34Å; G47-S49 PolarHBondContact O-N 2.79Å
48	G	94.2	Very high	96.2	Very high	76 Å²	76	59 Å²	59	78%	0.784	35%	0.346	S	S	*	.	S	Bend	trans	-74.9	-17.5	-176.4	0	0	0	0	0	115.3	S44 G46	S44-G48 PolarHBondContact OG-N 2.79Å; G46-G48 VanDerWaalsContact C-N 3.31Å; G46-G48 PolarHBondContact O-N 2.7Å
49	S	96.6	Very high	96.3	Very high	75 Å²	75	58 Å²	58	52%	0.524	34%	0.34	S	S	.	.			trans	-128.2	136.4	176.6	-59.3	0	0	0	0	111.4	I43 S44 G47	I43-S49 WeakPolarHBondContact CA-O 3.39Å; S44-S49 PolarHBondContact N-O 2.81Å; S44-S49 PolarHBondContact OG-N 3.13Å; S44-S49 PolarHBondContact OG-O 2.89Å; S44-S49 VanDerWaalsContact OG-O 3.11Å; G47-S49 VanDerWaalsContact C-N 3.34Å; G47-S49 PolarHBondContact O-N 2.79Å
50	T	98.3	Very high	96.4	Very high	69 Å²	69	51.1 Å²	51.1	42%	0.423	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.8	174.4	57.2	0	0	0	0	111	Y42 I43 I62	Y42-T50 WeakPolarHBondContact O-CA 3.31Å; I43-T50 HydrophobicContact CB-CG2 4.13Å; I43-T50 HydrophobicContact CD1-CG2 3.91Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; T50-I62 HydrophobicContact CG2-CG2 3.93Å
51	Y	98.1	Very high	96.4	Very high	149 Å²	149	54.7 Å²	54.7	58%	0.584	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.2	174	174.6	-92.1	0	0	0	110.5	A41 Y42	A41-Y51 CarbonylContact C-O 3.46Å; A41-Y51 WeakPolarHBondContact CA-O 3.42Å; Y42-Y51 PolarHBondContact N-O 3.11Å; Y42-Y51 PolarHBondContact O-N 3.1Å
52	Y	98.2	Very high	96.4	Very high	37 Å²	37	54.8 Å²	54.8	15%	0.145	34%	0.336	C	S	.	.			trans	-137.9	133.6	178.3	-51.5	-81.1	0	0	0	109.3	A41 I62	A41-Y52 HydrophobicContact CB-CD1 3.68Å; A41-Y52 HydrophobicContact CB-CE1 3.67Å; Y52-I62 HydrophobicContact CE1-CB 4.17Å; Y52-I62 HydrophobicContact CE1-CG2 3.72Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.29Å; Y52-I62 PolarHBondContact OH-N 2.85Å; Y52-I62 VanDerWaalsContact OH-N 3.09Å
53	P	96.8	Very high	96.5	Very high	28 Å²	28	54.7 Å²	54.7	18%	0.182	34%	0.343	C	S	.	.			trans	-69	153.9	170.4	30.7	-32.5	0	0	0	110.6	W39 V40 T55 V56 K57	W39-P53 WeakPolarHBondContact O-CG 3.4Å; V40-P53 VanDerWaalsContact O-CD 3.23Å; V40-P53 WeakPolarHBondContact O-CD 3.49Å; P53-T55 PolarHBondContact O-N 2.93Å; P53-V56 HydrophobicContact CG-CG2 3.88Å; P53-V56 PolarHBondContact O-N 3.44Å; P53-K57 WeakPolarHBondContact O-CB 3.3Å; P53-K57 PolarHBondContact O-N 3.18Å
54	D	95.9	Very high	96.4	Very high	135 Å²	135	56 Å²	56	72%	0.722	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.5	-174.6	-66.3	-33.9	0	0	0	113.6	V56	D54-V56 PolarHBondContact O-N 2.89Å
55	T	94	Very high	96.4	Very high	88 Å²	88	57.4 Å²	57.4	54%	0.54	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.8	177.4	53.9	0	0	0	0	113.7	P53 R59	P53-T55 PolarHBondContact O-N 2.93Å; T55-R59 PolarHBondContact O-NH2 2.87Å
56	V	96.4	Very high	96.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-5.4	-177.4	-54.5	0	0	0	0	113.3	V40 P53 D54 G58 R59 F60	V40-V56 HydrophobicContact CB-CG2 4.4Å; V40-V56 WeakPolarHBondContact O-CG2 3.22Å; P53-V56 HydrophobicContact CG-CG2 3.88Å; P53-V56 PolarHBondContact O-N 3.44Å; D54-V56 PolarHBondContact O-N 2.89Å; V56-G58 PolarHBondContact O-N 3.38Å; V56-R59 WeakPolarHBondContact O-CB 3.37Å; V56-R59 PolarHBondContact O-N 2.88Å; V56-F60 HydrophobicContact CB-CB 4.11Å; V56-F60 HydrophobicContact CB-CD1 4.15Å; V56-F60 HydrophobicContact CB-CD2 3.7Å; V56-F60 HydrophobicContact CB-CE1 4.49Å; V56-F60 HydrophobicContact CB-CE2 4.09Å; V56-F60 HydrophobicContact CB-CG 3.73Å; V56-F60 HydrophobicContact CB-CZ 4.46Å; V56-F60 HydrophobicContact CG1-CD2 3.84Å; V56-F60 HydrophobicContact CG1-CE1 4.48Å; V56-F60 HydrophobicContact CG1-CE2 3.72Å; V56-F60 HydrophobicContact CG1-CG 4.29Å; V56-F60 HydrophobicContact CG1-CZ 4.05Å; V56-F60 HydrophobicContact CG2-CB 4.19Å; V56-F60 HydrophobicContact CG2-CD2 4.05Å; V56-F60 HydrophobicContact CG2-CG 4.23Å; V56-F60 PolarHBondContact O-N 3.27Å
57	K	96.2	Very high	96.7	Very high	134 Å²	134	60.2 Å²	60.2	58%	0.583	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	133.7	-179.7	-166.8	172.6	-173.8	176.1	0	111.1	P53 R59	P53-K57 WeakPolarHBondContact O-CB 3.3Å; P53-K57 PolarHBondContact O-N 3.18Å; K57-R59 PolarHBondContact O-N 3.47Å
58	G	96.6	Very high	96.8	Very high	54 Å²	54	65.1 Å²	65.1	56%	0.557	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-8	-176	0	0	0	0	0	115.1	V56 R77	V56-G58 PolarHBondContact O-N 3.38Å; G58-R77 PolarHBondContact O-NH2 2.87Å
59	R	97.3	Very high	96.9	Very high	21 Å²	21	64.5 Å²	64.5	8%	0.079	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-38.2	175.4	-62	-168.7	-56.2	113.6	0.6	112	T55 V56 K57 S76 R77 D82	T55-R59 PolarHBondContact O-NH2 2.87Å; V56-R59 WeakPolarHBondContact O-CB 3.37Å; V56-R59 PolarHBondContact O-N 2.88Å; K57-R59 PolarHBondContact O-N 3.47Å; R59-S76 WeakPolarHBondContact CB-O 3.31Å; R59-S76 PolarHBondContact O-N 3.07Å; R59-S76 PolarHBondContact O-OG 2.98Å; R59-R77 PolarHBondContact NH1-O 3.04Å; R59-D82 IonicContact CZ-OD1 3.78Å; R59-D82 IonicContact CZ-OD2 3.43Å; R59-D82 IonicContact NH1-OD1 2.79Å; R59-D82 IonicContact NH1-OD2 3.33Å; R59-D82 PolarHBondContact NH1-OD2 2.83Å; R59-D82 IonicContact NH2-OD1 2.91Å; R59-D82 PolarHBondContact NH2-OD1 3.47Å; R59-D82 IonicContact NH2-OD2 3.32Å; R59-D82 PolarHBondContact NH2-OD2 2.93Å
60	F	97.6	Very high	97	Very high	3 Å²	3	61 Å²	61	1%	0.013	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	148.9	-177.6	-69.3	17.4	0	0	0	110.3	V40 V56 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CB-CD2 4.3Å; V40-F60 HydrophobicContact CB-CE2 4.47Å; V40-F60 HydrophobicContact CG2-CD2 4.48Å; V56-F60 HydrophobicContact CB-CB 4.11Å; V56-F60 HydrophobicContact CB-CD1 4.15Å; V56-F60 HydrophobicContact CB-CD2 3.7Å; V56-F60 HydrophobicContact CB-CE1 4.49Å; V56-F60 HydrophobicContact CB-CE2 4.09Å; V56-F60 HydrophobicContact CB-CG 3.73Å; V56-F60 HydrophobicContact CB-CZ 4.46Å; V56-F60 HydrophobicContact CG1-CD2 3.84Å; V56-F60 HydrophobicContact CG1-CE1 4.48Å; V56-F60 HydrophobicContact CG1-CE2 3.72Å; V56-F60 HydrophobicContact CG1-CG 4.29Å; V56-F60 HydrophobicContact CG1-CZ 4.05Å; V56-F60 HydrophobicContact CG2-CB 4.19Å; V56-F60 HydrophobicContact CG2-CD2 4.05Å; V56-F60 HydrophobicContact CG2-CG 4.23Å; V56-F60 PolarHBondContact O-N 3.27Å; F60-Q74 CarbonylContact C-O 3.52Å; F60-Q74 VanDerWaalsContact CA-O 3.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.12Å; F60-M75 HydrophobicContact CD1-CB 3.85Å; F60-M75 HydrophobicContact CD1-CG 3.86Å; F60-M75 HydrophobicContact CD2-CG 3.9Å; F60-M75 HydrophobicContact CD2-SD 4.43Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CG 3.84Å; F60-M75 HydrophobicContact CE1-SD 4.45Å; F60-M75 HydrophobicContact CE2-CG 3.85Å; F60-M75 HydrophobicContact CE2-SD 3.88Å; F60-M75 HydrophobicContact CG-CB 4.38Å; F60-M75 HydrophobicContact CG-CG 3.91Å; F60-M75 HydrophobicContact CZ-CB 4.16Å; F60-M75 HydrophobicContact CZ-CG 3.83Å; F60-M75 HydrophobicContact CZ-SD 3.9Å; F60-L78 HydrophobicContact CE1-CD2 4.31Å; F60-L78 HydrophobicContact CZ-CD2 4.45Å; F60-D82 HydrophobicContact CZ-CB 4.14Å; F60-Y86 HydrophobicContact CE2-CE1 4.13Å
61	T	98.2	Very high	97	Very high	76 Å²	76	58 Å²	58	47%	0.466	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	119.5	177.6	-55.6	0	0	0	0	108.7	Q74	T61-Q74 PolarHBondContact N-O 3.18Å; T61-Q74 PolarHBondContact O-N 2.76Å
62	I	98.4	Very high	97	Very high	5 Å²	5	53 Å²	53	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.4	173.5	-164.6	170.8	0	0	0	109.3	A41 Y42 I43 T50 Y52 L71 Y72 L73	A41-I62 HydrophobicContact CB-CB 3.68Å; A41-I62 HydrophobicContact CB-CD1 3.84Å; A41-I62 HydrophobicContact CB-CG1 4.31Å; A41-I62 HydrophobicContact CB-CG2 3.82Å; Y42-I62 WeakPolarHBondContact O-CG2 3.39Å; I43-I62 HydrophobicContact CB-CD1 4.23Å; I43-I62 HydrophobicContact CB-CG1 4.36Å; I43-I62 HydrophobicContact CB-CG2 3.9Å; I43-I62 HydrophobicContact CG2-CD1 3.79Å; I43-I62 HydrophobicContact CG2-CG1 4.06Å; T50-I62 HydrophobicContact CG2-CG2 3.93Å; Y52-I62 HydrophobicContact CE1-CB 4.17Å; Y52-I62 HydrophobicContact CE1-CG2 3.72Å; Y52-I62 WeakPolarHBondContact OH-CG2 3.29Å; Y52-I62 PolarHBondContact OH-N 2.85Å; Y52-I62 VanDerWaalsContact OH-N 3.09Å; I62-L71 HydrophobicContact CD1-CD1 3.86Å; I62-L71 HydrophobicContact CD1-CD2 4.18Å; I62-L71 HydrophobicContact CD1-CG 4.27Å; I62-L71 HydrophobicContact CG1-CD1 3.84Å; I62-L71 HydrophobicContact CG1-CG 4.29Å; I62-Y72 WeakPolarHBondContact CA-O 3.1Å; I62-L73 HydrophobicContact CB-CD1 4.17Å
63	S	98.2	Very high	97	Very high	50 Å²	50	51.8 Å²	51.8	35%	0.35	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163	171.9	63.8	0	0	0	0	110.1	Y72	S63-Y72 PolarHBondContact N-O 2.94Å; S63-Y72 PolarHBondContact O-N 2.86Å
64	R	97.8	Very high	97	Very high	33 Å²	33	53.8 Å²	53.8	13%	0.125	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149	-176.7	65.9	-176.6	-69.5	154.3	1.6	110.7	F21 C24 I43 S44 N45 N66 T70 L71	F21-R64 HydrophobicContact CE1-CB 4.07Å; F21-R64 HydrophobicContact CZ-CB 4.21Å; F21-R64 PolarHBondContact O-NH2 2.8Å; C24-R64 PolarHBondContact O-NH1 2.78Å; I43-R64 HydrophobicContact CD1-CB 4.25Å; I43-R64 HydrophobicContact CD1-CG 3.75Å; I43-R64 HydrophobicContact CG1-CG 4.38Å; S44-R64 WeakPolarHBondContact O-CD 3.45Å; S44-R64 PolarHBondContact O-NH1 2.9Å; N45-R64 PolarHBondContact O-NE 2.85Å; N45-R64 PolarHBondContact O-NH1 2.79Å; N45-R64 PolarHBondContact O-NH2 2.97Å; N45-R64 VanDerWaalsContact O-NH2 3.16Å; R64-N66 PolarHBondContact NE-OD1 3.25Å; R64-N66 PolarHBondContact NH2-OD1 3.07Å; R64-T70 WeakPolarHBondContact CA-O 2.69Å; R64-L71 HydrophobicContact CB-CD1 4.17Å
65	D	97.1	Very high	97.1	Very high	43 Å²	43	47.5 Å²	47.5	23%	0.23	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	106.8	170.3	-175.1	-25.6	0	0	0	108.1	A67 K68 N69 T70 Y72	D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.27Å; D65-A67 PolarHBondContact OD1-N 3.36Å; D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 2.79Å; D65-K68 PolarHBondContact OD1-N 3.49Å; D65-K68 VanDerWaalsContact OD1-N 3.07Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 VanDerWaalsContact OD2-CE 3.23Å; D65-K68 WeakPolarHBondContact OD2-CE 3.32Å; D65-K68 WeakPolarHBondContact OD2-CG 3.34Å; D65-K68 IonicContact OD2-NZ 2.72Å; D65-N69 PolarHBondContact O-N 2.92Å; D65-T70 PolarHBondContact N-O 2.95Å; D65-T70 PolarHBondContact O-N 3.02Å; D65-Y72 HydrophobicContact CB-CE2 3.98Å
66	N	95.8	Very high	97.2	Very high	62 Å²	62	44.9 Å²	44.9	33%	0.332	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-28.2	-178.2	-75.2	-12.2	0	0	0	112.7	F21 N45 R64 K68 N69	F21-N66 VanDerWaalsContact CD1-OD1 3.32Å; F21-N66 WeakPolarHBondContact CD1-OD1 3.46Å; F21-N66 WeakPolarHBondContact CE1-OD1 3.28Å; N45-N66 PolarHBondContact O-ND2 3.47Å; R64-N66 PolarHBondContact NE-OD1 3.25Å; R64-N66 PolarHBondContact NH2-OD1 3.07Å; N66-K68 VanDerWaalsContact C-N 3.27Å; N66-N69 PolarHBondContact O-OD1 3.16Å
67	A	95.2	Very high	97.1	Very high	98 Å²	98	52.1 Å²	52.1	81%	0.81	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-29.3	176.7	0	0	0	0	0	111.1	D65	D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.27Å; D65-A67 PolarHBondContact OD1-N 3.36Å
68	K	96.3	Very high	97.1	Very high	132 Å²	132	46.8 Å²	46.8	57%	0.574	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	1.9	179.6	-59.8	-177.1	-168	165.6	0	114.4	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.17Å; D65-K68 PolarHBondContact O-N 2.79Å; D65-K68 PolarHBondContact OD1-N 3.49Å; D65-K68 VanDerWaalsContact OD1-N 3.07Å; D65-K68 WeakPolarHBondContact OD2-CD 3.38Å; D65-K68 VanDerWaalsContact OD2-CE 3.23Å; D65-K68 WeakPolarHBondContact OD2-CE 3.32Å; D65-K68 WeakPolarHBondContact OD2-CG 3.34Å; D65-K68 IonicContact OD2-NZ 2.72Å; N66-K68 VanDerWaalsContact C-N 3.27Å; K68-T70 WeakPolarHBondContact CB-OG1 2.9Å; K68-T70 PolarHBondContact O-N 3Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 2.86Å
69	N	96.8	Very high	96.9	Very high	62 Å²	62	49.1 Å²	49.1	33%	0.332	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	38.4	-173.4	-59.1	-37.3	0	0	0	113.3	T16 F21 D65 N66	T16-N69 PolarHBondContact N-O 2.98Å; T16-N69 PolarHBondContact OG1-O 2.99Å; F21-N69 HydrophobicContact CB-CB 4Å; F21-N69 VanDerWaalsContact CB-OD1 3.27Å; F21-N69 WeakPolarHBondContact CB-OD1 3.38Å; F21-N69 HydrophobicContact CG-CB 4.18Å; D65-N69 PolarHBondContact O-N 2.92Å; N66-N69 PolarHBondContact O-OD1 3.16Å
70	T	97.8	Very high	96.6	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.9	-171.2	-52.5	0	0	0	0	111.4	C14 E15 R64 D65 K68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.35Å; E15-T70 HydrophobicContact CG-CG2 3.95Å; R64-T70 WeakPolarHBondContact CA-O 2.69Å; D65-T70 PolarHBondContact N-O 2.95Å; D65-T70 PolarHBondContact O-N 3.02Å; K68-T70 WeakPolarHBondContact CB-OG1 2.9Å; K68-T70 PolarHBondContact O-N 3Å; K68-T70 VanDerWaalsContact O-N 3.09Å; K68-T70 PolarHBondContact O-OG1 2.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.13Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.5Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.43Å
71	L	98.2	Very high	96.3	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.8	169	-170.7	71.6	0	0	0	109.8	S13 C14 F21 M26 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.6Å; S13-L71 WeakPolarHBondContact CA-O 3.2Å; C14-L71 HydrophobicContact CB-CB 4.16Å; C14-L71 PolarHBondContact N-O 2.96Å; C14-L71 PolarHBondContact O-N 2.91Å; F21-L71 HydrophobicContact CZ-CB 4.27Å; M26-L71 HydrophobicContact CB-CD1 3.65Å; M26-L71 HydrophobicContact CB-CD2 4.07Å; M26-L71 HydrophobicContact CB-CG 4.44Å; M26-L71 HydrophobicContact CE-CD2 4.21Å; M26-L71 HydrophobicContact CG-CD1 4.36Å; I43-L71 HydrophobicContact CG2-CD1 3.66Å; I62-L71 HydrophobicContact CD1-CD1 3.86Å; I62-L71 HydrophobicContact CD1-CD2 4.18Å; I62-L71 HydrophobicContact CD1-CG 4.27Å; I62-L71 HydrophobicContact CG1-CD1 3.84Å; I62-L71 HydrophobicContact CG1-CG 4.29Å; R64-L71 HydrophobicContact CB-CD1 4.17Å; L71-C88 HydrophobicContact CD2-CB 4.08Å
72	Y	98	Very high	96.1	Very high	42 Å²	42	56 Å²	56	17%	0.165	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.7	176.1	-57.4	-75.6	0	0	0	110.9	L12 I62 S63 D65 T70	L12-Y72 CarbonylContact O-C 3.58Å; L12-Y72 VanDerWaalsContact O-CA 3.3Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; I62-Y72 WeakPolarHBondContact CA-O 3.1Å; S63-Y72 PolarHBondContact N-O 2.94Å; S63-Y72 PolarHBondContact O-N 2.86Å; D65-Y72 HydrophobicContact CB-CE2 3.98Å; T70-Y72 HydrophobicContact CG2-CD1 4.13Å; T70-Y72 HydrophobicContact CG2-CD2 4.44Å; T70-Y72 HydrophobicContact CG2-CE1 3.5Å; T70-Y72 HydrophobicContact CG2-CE2 3.87Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.43Å
73	L	98	Very high	95.9	Very high	13 Å²	13	60.8 Å²	60.8	7%	0.068	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	102.9	171.1	-172.3	68.6	0	0	0	108.9	K11 L12 V40 A41 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.37Å; L12-L73 HydrophobicContact CB-CB 4.4Å; L12-L73 PolarHBondContact N-O 2.74Å; L12-L73 PolarHBondContact O-N 2.75Å; V40-L73 HydrophobicContact CG2-CD2 3.95Å; A41-L73 HydrophobicContact CB-CD1 3.98Å; I62-L73 HydrophobicContact CB-CD1 4.17Å; L73-M75 HydrophobicContact CD2-CG 4.22Å; L73-M75 HydrophobicContact CD2-SD 4.08Å; L73-M75 HydrophobicContact CG-CG 4.05Å; L73-Y86 HydrophobicContact CD2-CD1 3.93Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å
74	Q	97.6	Very high	95.7	Very high	69 Å²	69	59.7 Å²	59.7	32%	0.322	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	123.5	170.7	-177	67.6	41.5	0	0	108.6	F60 T61	F60-Q74 CarbonylContact C-O 3.52Å; F60-Q74 VanDerWaalsContact CA-O 3.3Å; F60-Q74 WeakPolarHBondContact CA-O 3.12Å; T61-Q74 PolarHBondContact N-O 3.18Å; T61-Q74 PolarHBondContact O-N 2.76Å
75	M	96.8	Very high	95.6	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.015	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.3	177.5	-59.7	174.2	-70.1	0	0	107.9	S9 L10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.49Å; S9-M75 WeakPolarHBondContact CA-O 3.39Å; S9-M75 WeakPolarHBondContact CB-O 3.18Å; L10-M75 HydrophobicContact CB-CE 4Å; L10-M75 HydrophobicContact CD2-CE 3.74Å; L10-M75 HydrophobicContact CG-CE 3.89Å; L10-M75 PolarHBondContact N-O 2.01Å; L10-M75 PolarHBondContact O-N 3Å; L12-M75 HydrophobicContact CD1-CE 3.5Å; L12-M75 VanDerWaalsContact CD1-CE 3.5Å; L12-M75 HydrophobicContact CD1-SD 4.35Å; L12-M75 HydrophobicContact CD2-CE 4.41Å; L12-M75 HydrophobicContact CG-CE 3.55Å; F60-M75 HydrophobicContact CD1-CB 3.85Å; F60-M75 HydrophobicContact CD1-CG 3.86Å; F60-M75 HydrophobicContact CD2-CG 3.9Å; F60-M75 HydrophobicContact CD2-SD 4.43Å; F60-M75 HydrophobicContact CE1-CB 3.74Å; F60-M75 HydrophobicContact CE1-CG 3.84Å; F60-M75 HydrophobicContact CE1-SD 4.45Å; F60-M75 HydrophobicContact CE2-CG 3.85Å; F60-M75 HydrophobicContact CE2-SD 3.88Å; F60-M75 HydrophobicContact CG-CB 4.38Å; F60-M75 HydrophobicContact CG-CG 3.91Å; F60-M75 HydrophobicContact CZ-CB 4.16Å; F60-M75 HydrophobicContact CZ-CG 3.83Å; F60-M75 HydrophobicContact CZ-SD 3.9Å; L73-M75 HydrophobicContact CD2-CG 4.22Å; L73-M75 HydrophobicContact CD2-SD 4.08Å; L73-M75 HydrophobicContact CG-CG 4.05Å; M75-L78 HydrophobicContact CB-CD2 3.78Å; M75-L78 HydrophobicContact CB-CG 4.43Å; M75-L78 HydrophobicContact SD-CD2 4.37Å; M75-Y86 HydrophobicContact SD-CD1 4.37Å; M75-Y86 HydrophobicContact SD-CE1 3.86Å; M75-Y86 HydrophobicContact SD-CE2 4.4Å
76	S	96.4	Very high	95.5	Very high	33 Å²	33	63.5 Å²	63.5	23%	0.231	33%	0.333	C	S	.	.			trans	-119	156	177.7	68	0	0	0	0	110.4	S9 R59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.23Å; R59-S76 WeakPolarHBondContact CB-O 3.31Å; R59-S76 PolarHBondContact O-N 3.07Å; R59-S76 PolarHBondContact O-OG 2.98Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.86Å
77	R	95.2	Very high	95.5	Very high	152 Å²	152	66 Å²	66	57%	0.574	34%	0.339	S	S	*	.	S	Bend	trans	51.6	52.3	178.9	-58.7	176.9	-74	179.5	-3.9	110.4	G8 G58 R59	G8-R77 PolarHBondContact O-N 3.4Å; G8-R77 VanDerWaalsContact O-N 3.11Å; G58-R77 PolarHBondContact O-NH2 2.87Å; R59-R77 PolarHBondContact NH1-O 3.04Å
78	L	95.3	Very high	95.6	Very high	22 Å²	22	63.7 Å²	63.7	12%	0.115	32%	0.315	C	S	.	.			trans	-58.3	137.2	-179.3	-76.5	170.4	0	0	0	110.4	G7 G8 L10 F60 M75 S76 D82	G7-L78 PolarHBondContact N-O 2.9Å; G8-L78 PolarHBondContact O-N 3.02Å; G8-L78 VanDerWaalsContact O-N 3.08Å; L10-L78 HydrophobicContact CB-CD1 4Å; F60-L78 HydrophobicContact CE1-CD2 4.31Å; F60-L78 HydrophobicContact CZ-CD2 4.45Å; M75-L78 HydrophobicContact CB-CD2 3.78Å; M75-L78 HydrophobicContact CB-CG 4.43Å; M75-L78 HydrophobicContact SD-CD2 4.37Å; S76-L78 VanDerWaalsContact C-N 3.28Å; S76-L78 PolarHBondContact O-N 2.86Å; L78-D82 HydrophobicContact CD2-CB 4.06Å
79	K	94.1	Very high	95.6	Very high	104 Å²	104	59 Å²	59	45%	0.452	30%	0.301	S	S	.	.			trans	-108.8	160.3	173.3	-59.9	179.4	179.5	-175.6	0	109.2	E81 D82	K79-E81 HydrophobicContact CB-CB 4.49Å; K79-E81 PolarHBondContact O-N 2.84Å; K79-D82 PolarHBondContact N-OD2 3.21Å; K79-D82 WeakPolarHBondContact O-CB 3.36Å; K79-D82 PolarHBondContact O-N 2.83Å
80	S	91	Very high	95.5	Very high	92 Å²	92	61.9 Å²	61.9	64%	0.643	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-58.5	-30.9	173.3	-49.5	0	0	0	0	112.4	D82 T83	S80-D82 PolarHBondContact O-N 3.12Å; S80-T83 WeakPolarHBondContact O-CB 3.14Å; S80-T83 PolarHBondContact O-N 2.86Å; S80-T83 PolarHBondContact O-OG1 3.28Å
81	E	91.1	Very high	95.4	Very high	145 Å²	145	65.8 Å²	65.8	68%	0.678	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-65	-17.1	174.4	-64.3	160.9	-167.4	0	0	113.7	K79 T83	K79-E81 HydrophobicContact CB-CB 4.49Å; K79-E81 PolarHBondContact O-N 2.84Å; E81-T83 VanDerWaalsContact C-N 3.29Å
82	D	93.3	Very high	95.1	Very high	8 Å²	8	68.2 Å²	68.2	4%	0.043	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-86.1	-2.7	178.1	-57.5	-48.9	0	0	0	112.5	R30 R59 F60 L78 K79 S80 A84 Y86	R30-D82 IonicContact NH1-OD1 3.84Å; R30-D82 PolarHBondContact NH1-OD1 3.23Å; R59-D82 IonicContact CZ-OD1 3.78Å; R59-D82 IonicContact CZ-OD2 3.43Å; R59-D82 IonicContact NH1-OD1 2.79Å; R59-D82 IonicContact NH1-OD2 3.33Å; R59-D82 PolarHBondContact NH1-OD2 2.83Å; R59-D82 IonicContact NH2-OD1 2.91Å; R59-D82 PolarHBondContact NH2-OD1 3.47Å; R59-D82 IonicContact NH2-OD2 3.32Å; R59-D82 PolarHBondContact NH2-OD2 2.93Å; F60-D82 HydrophobicContact CZ-CB 4.14Å; L78-D82 HydrophobicContact CD2-CB 4.06Å; K79-D82 PolarHBondContact N-OD2 3.21Å; K79-D82 WeakPolarHBondContact O-CB 3.36Å; K79-D82 PolarHBondContact O-N 2.83Å; S80-D82 PolarHBondContact O-N 3.12Å; D82-A84 PolarHBondContact O-N 3.1Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 3.31Å
83	T	93.3	Very high	94.4	Very high	104 Å²	104	73 Å²	73	64%	0.638	36%	0.36	S	S	*	.			trans	-67.5	106.5	175.5	-62.5	0	0	0	0	110.2	S80 E81	S80-T83 WeakPolarHBondContact O-CB 3.14Å; S80-T83 PolarHBondContact O-N 2.86Å; S80-T83 PolarHBondContact O-OG1 3.28Å; E81-T83 VanDerWaalsContact C-N 3.29Å
84	A	94.9	Very high	93.5	Very high	27 Å²	27	75.8 Å²	75.8	22%	0.223	39%	0.393	C	S	.	.	S	Bend	trans	-158.7	167.8	-176.8	0	0	0	0	0	109.8	R30 Q31 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.85Å; R30-A84 HydrophobicContact CG-CB 4.22Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; D82-A84 PolarHBondContact O-N 3.1Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.97Å; A84-Y86 VanDerWaalsContact O-CD2 3.31Å; A84-Y86 WeakPolarHBondContact O-CD2 3.18Å
85	M	95.4	Very high	91.6	Very high	110 Å²	110	78.9 Å²	78.9	54%	0.542	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.4	163.7	-167.8	58.9	66.1	0	0	109.2	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.59Å; R30-M85 WeakPolarHBondContact CA-O 3.2Å; Q31-M85 PolarHBondContact N-O 2.94Å; Q31-M85 PolarHBondContact O-N 2.95Å; M85-Y87 HydrophobicContact CB-CE2 3.8Å; M85-Y87 HydrophobicContact CG-CD2 4.39Å; M85-Y87 HydrophobicContact CG-CE1 3.91Å; M85-Y87 HydrophobicContact CG-CE2 3.55Å; M85-Y87 WeakPolarHBondContact CG-OH 3.45Å
86	Y	96.1	Very high	91.4	Very high	46 Å²	46	82.7 Å²	82.7	18%	0.18	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.8	-178.6	-73.5	-98.9	0	0	0	110.8	L12 V29 R30 V40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.24Å; L12-Y86 HydrophobicContact CD1-CD2 4.19Å; L12-Y86 HydrophobicContact CD1-CG 3.73Å; V29-Y86 CarbonylContact O-C 3.46Å; V29-Y86 WeakPolarHBondContact O-CA 3.37Å; R30-Y86 HydrophobicContact CB-CD1 3.87Å; R30-Y86 HydrophobicContact CB-CE1 3.72Å; R30-Y86 HydrophobicContact CB-CE2 4.47Å; R30-Y86 HydrophobicContact CB-CG 4.33Å; V40-Y86 HydrophobicContact CG2-CD1 4.45Å; V40-Y86 HydrophobicContact CG2-CE1 4.26Å; F60-Y86 HydrophobicContact CE2-CE1 4.13Å; L73-Y86 HydrophobicContact CD2-CD1 3.93Å; L73-Y86 HydrophobicContact CD2-CE1 4.21Å; M75-Y86 HydrophobicContact SD-CD1 4.37Å; M75-Y86 HydrophobicContact SD-CE1 3.86Å; M75-Y86 HydrophobicContact SD-CE2 4.4Å; D82-Y86 VanDerWaalsContact O-CE2 3.32Å; D82-Y86 WeakPolarHBondContact O-CE2 3.27Å; D82-Y86 PolarHBondContact O-OH 3.31Å; A84-Y86 HydrophobicContact CB-CD2 4.48Å; A84-Y86 HydrophobicContact CB-CE2 3.97Å; A84-Y86 VanDerWaalsContact O-CD2 3.31Å; A84-Y86 WeakPolarHBondContact O-CD2 3.18Å
87	Y	95.7	Very high	91.1	Very high	116 Å²	116	85.3 Å²	85.3	46%	0.455	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.5	-177.8	-56.3	-82.5	0	0	0	110.5	V29 Q31 M85	V29-Y87 PolarHBondContact N-O 3.06Å; V29-Y87 PolarHBondContact O-N 3.02Å; Q31-Y87 HydrophobicContact CB-CD2 4.47Å; Q31-Y87 HydrophobicContact CB-CE2 3.83Å; M85-Y87 HydrophobicContact CB-CE2 3.8Å; M85-Y87 HydrophobicContact CG-CD2 4.39Å; M85-Y87 HydrophobicContact CG-CE1 3.91Å; M85-Y87 HydrophobicContact CG-CE2 3.55Å; M85-Y87 WeakPolarHBondContact CG-OH 3.45Å
88	C	96.1	Very high	90.9	Very high	48 Å²	48	81.6 Å²	81.6	32%	0.324	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	139.1	165.4	-48.8	0	0	0	0	109.3	C14 Y27 L71	C14-C88 HydrophobicContact CB-CB 4.15Å; C14-C88 WeakPolarHBondContact CB-SG 3.17Å; C14-C88 WeakPolarHBondContact SG-CB 3.49Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 3.09Å; Y27-C88 WeakPolarHBondContact O-CA 3.2Å; L71-C88 HydrophobicContact CD2-CB 4.08Å
89	A	96.3	Very high	90.6	Very high	33 Å²	33	85.1 Å²	85.1	27%	0.273	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.6	168.4	0	0	0	0	0	109.6	Y27 V29 W39	Y27-A89 PolarHBondContact N-O 3.06Å; Y27-A89 PolarHBondContact O-N 3.06Å; V29-A89 HydrophobicContact CG2-CB 3.87Å; W39-A89 HydrophobicContact CH2-CB 4.41Å; W39-A89 HydrophobicContact CZ3-CB 4.02Å
90	R	95.3	Very high	90.4	Very high	124 Å²	124	83.9 Å²	83.9	47%	0.468	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	149.5	176.2	71.6	177.6	-177.2	80.1	2.3	110.5	C24 Y25 M26	C24-R90 HydrophobicContact CB-CB 4.15Å; Y25-R90 CarbonylContact O-C 3.57Å; Y25-R90 VanDerWaalsContact O-CA 3.28Å; Y25-R90 WeakPolarHBondContact O-CA 3.37Å; M26-R90 HydrophobicContact CE-CB 4.2Å; M26-R90 HydrophobicContact SD-CB 3.74Å
91	H	94.8	Very high	90.3	Very high	85 Å²	85	83.4 Å²	83.4	39%	0.394	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.1	166.8	-171.1	71.6	0	0	0	109	C24 Y25 Y27 S95	C24-H91 CarbonylContact C-O 3.59Å; C24-H91 WeakPolarHBondContact CA-O 3.38Å; Y25-H91 HydrophobicContact CD2-CB 4.26Å; Y25-H91 AromaticContact CD2-CD2 3.87Å; Y25-H91 PolarHBondContact N-O 2.83Å; Y25-H91 PolarHBondContact O-N 2.96Å; Y27-H91 HydrophobicContact CE2-CB 3.73Å; H91-S95 PolarHBondContact NE2-OG 3.15Å
92	P	92.8	Very high	90.3	Very high	56 Å²	56	79 Å²	79	36%	0.364	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	141.2	176.2	-23.5	34.1	0	0	0	112
93	Y	82.5	Confident	90.1	Very high	142 Å²	142	84.5 Å²	84.5	56%	0.557	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	126.8	172.1	-176.8	-92.4	0	0	0	109.8	D23 Y25	D23-Y93 WeakPolarHBondContact O-CB 3.4Å; D23-Y93 PolarHBondContact O-N 3.32Å; Y25-Y93 AromaticContact CE1-CD2 3.68Å; Y25-Y93 HydrophobicContact CE1-CD2 3.68Å; Y25-Y93 HydrophobicContact CE1-CE2 4.18Å; Y25-Y93 AromaticContact CE2-CD2 3.98Å; Y25-Y93 HydrophobicContact CE2-CD2 3.98Å; Y25-Y93 AromaticContact CZ-CD2 3.33Å; Y25-Y93 AromaticContact CZ-CE2 3.83Å; Y25-Y93 WeakPolarHBondContact OH-CD2 3.37Å; Y25-Y93 WeakPolarHBondContact OH-CE2 3.38Å
94	G	78.6	Confident	89.8	Confident	73 Å²	73	82.8 Å²	82.8	75%	0.753	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	21	175.2	0	0	0	0	0	116
95	S	59	Low	89.3	Confident	134 Å²	134	87.9 Å²	87.9	94%	0.937	48%	0.477	S	S	*	.			trans	-73.3	0	169.8	58.2	0	0	0	0	113.3	H91	H91-S95 PolarHBondContact NE2-OG 3.15Å

Retrieved 95 of 95 residues in 19.4 ms (Link to these results)

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