X5J5S6_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5S6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 90 aa.

						>X5J5S6_MOUSE|X5J5S6
GGLVKPGGSLKLSCAASGFTFSDYGTHWVRQAPEKGLEWVAYISSGSSTIYYGDTVKGRFTISRDNAKNTLLLQMTSLRSEDTAMYYCVR
					

Structure Viewer

Loading PAE data...

(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	63.3	Low	87.4	Confident	114 Å²	114	89.3 Å²	89.3	100%	1.175	58%	0.58	S	S	*	*				0	164.7	0	0	0	0	0	0	109.4
2	G	78.8	Confident	88.1	Confident	46 Å²	46	83.3 Å²	83.3	47%	0.474	54%	0.54	S	S	.	.			trans	-124.2	161.1	-178.7	0	0	0	0	0	112.3
3	L	83.1	Confident	88.7	Confident	183 Å²	183	83.9 Å²	83.9	96%	0.958	55%	0.547	S	S	*	.			trans	-76.8	128	173.3	-175.8	68.3	0	0	0	109.5
4	V	88.7	Confident	88.9	Confident	54 Å²	54	79.1 Å²	79.1	33%	0.327	52%	0.516	S	S	.	.			trans	-131.5	142.5	178.8	-172.4	0	0	0	0	108.8	L10 L78	V4-L10 HydrophobicContact CG2-CB 4.07Å; V4-L10 HydrophobicContact CG2-CD1 3.93Å; V4-L10 HydrophobicContact CG2-CD2 4.36Å; V4-L10 HydrophobicContact CG2-CG 4.34Å; V4-L78 HydrophobicContact CB-CD1 4.33Å; V4-L78 HydrophobicContact CG1-CD1 4.43Å
5	K	87.9	Confident	89	Confident	178 Å²	178	79 Å²	79	77%	0.774	52%	0.524	S	S	*	.			trans	-67.9	150.8	174.6	-66.5	-176.7	179.4	-179.2	0	110.7	G8	K5-G8 PolarHBondContact O-N 3Å
6	P	89.3	Confident	88.6	Confident	103 Å²	103	75.2 Å²	75.2	67%	0.669	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	144.1	170.5	-26.3	34.9	0	0	0	112.2	G8 L78	P6-G8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.43Å; P6-L78 WeakPolarHBondContact CA-O 3.23Å
7	G	90.9	Very high	88.2	Confident	56 Å²	56	77.2 Å²	77.2	58%	0.577	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-14	-172.4	0	0	0	0	0	114.4	L78	G7-L78 PolarHBondContact N-O 2.8Å
8	G	93.5	Very high	87.6	Confident	23 Å²	23	77.7 Å²	77.7	24%	0.237	54%	0.537	C	S	.	.			trans	-72.6	-179.7	177.5	0	0	0	0	0	113.9	K5 P6 S77 L78	K5-G8 PolarHBondContact O-N 3Å; P6-G8 PolarHBondContact O-N 3.02Å; G8-S77 PolarHBondContact O-N 3.28Å; G8-L78 PolarHBondContact O-N 3.12Å; G8-L78 VanDerWaalsContact O-N 3.08Å
9	S	95.3	Very high	86.7	Confident	68 Å²	68	77.5 Å²	77.5	48%	0.476	53%	0.526	S	S	.	.			trans	-124.7	145.9	175.6	-60.9	0	0	0	0	110.7	M75	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.29Å; S9-M75 WeakPolarHBondContact CB-O 3.49Å
10	L	95.1	Very high	85.8	Confident	38 Å²	38	76.9 Å²	76.9	20%	0.199	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.1	176.7	-175.7	60.5	0	0	0	109.2	V4 L12 M75 L78	V4-L10 HydrophobicContact CG2-CB 4.07Å; V4-L10 HydrophobicContact CG2-CD1 3.93Å; V4-L10 HydrophobicContact CG2-CD2 4.36Å; V4-L10 HydrophobicContact CG2-CG 4.34Å; L10-L12 HydrophobicContact CD2-CD2 3.76Å; L10-L12 HydrophobicContact CD2-CG 4.49Å; L10-L12 HydrophobicContact CG-CD2 4.08Å; L10-M75 PolarHBondContact N-O 2.91Å; L10-M75 WeakPolarHBondContact O-CB 3.46Å; L10-M75 PolarHBondContact O-N 3.41Å; L10-L78 HydrophobicContact CB-CD1 3.79Å
11	K	96	Very high	85	Confident	119 Å²	119	73.5 Å²	73.5	52%	0.517	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	124.4	169.6	-170.1	175.7	-179.9	176.5	0	109.1	L73	K11-L73 WeakPolarHBondContact CA-O 3.43Å
12	L	95.9	Very high	85.2	Confident	18 Å²	18	70.2 Å²	70.2	9%	0.094	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.1	171.4	-56.7	-179.1	0	0	0	109.5	L10 W28 L72 L73 M75 Y86	L10-L12 HydrophobicContact CD2-CD2 3.76Å; L10-L12 HydrophobicContact CD2-CG 4.49Å; L10-L12 HydrophobicContact CG-CD2 4.08Å; L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ2 4.21Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.5Å; L12-W28 HydrophobicContact CD1-CZ3 4.26Å; L12-L72 WeakPolarHBondContact O-CA 3.49Å; L12-L73 HydrophobicContact CB-CB 4.3Å; L12-L73 HydrophobicContact CD1-CD2 4.49Å; L12-L73 PolarHBondContact N-O 3.47Å; L12-L73 PolarHBondContact O-N 3.1Å; L12-M75 HydrophobicContact CD1-SD 3.64Å; L12-M75 HydrophobicContact CG-SD 3.84Å; L12-Y86 HydrophobicContact CD1-CD1 4.03Å; L12-Y86 HydrophobicContact CD1-CD2 4.01Å; L12-Y86 HydrophobicContact CD1-CG 3.59Å
13	S	94.9	Very high	85	Confident	91 Å²	91	72.5 Å²	72.5	64%	0.636	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.9	173.2	56.4	0	0	0	0	110.2	L71	S13-L71 CarbonylContact C-O 3.53Å; S13-L71 WeakPolarHBondContact CA-O 3.34Å
14	C	92.3	Very high	84.9	Confident	17 Å²	17	68.9 Å²	68.9	12%	0.115	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	117.8	172.8	166	0	0	0	0	108.7	W28 T70 L71 C88	C14-W28 HydrophobicContact CB-CH2 3.95Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; C14-T70 CarbonylContact O-C 3.56Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; C14-L71 HydrophobicContact CB-CB 4.35Å; C14-L71 PolarHBondContact N-O 3.36Å; C14-L71 PolarHBondContact O-N 2.88Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.3Å; C14-C88 WeakPolarHBondContact SG-CB 3.15Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.83Å
15	A	90.7	Very high	84.9	Confident	77 Å²	77	67 Å²	67	64%	0.636	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.7	175	0	0	0	0	0	109
16	A	82.6	Confident	85.1	Confident	18 Å²	18	58.6 Å²	58.6	15%	0.149	39%	0.386	C	S	.	.			trans	-81.3	144.6	171.1	0	0	0	0	0	109.9	F19 F21 N69	A16-F19 HydrophobicContact CB-CD1 4.37Å; A16-F19 HydrophobicContact CB-CD2 4.12Å; A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 3.54Å; A16-F19 HydrophobicContact CB-CZ 3.38Å; A16-F21 HydrophobicContact CB-CD1 4.3Å; A16-F21 HydrophobicContact CB-CD2 3.66Å; A16-F21 HydrophobicContact CB-CE1 4.01Å; A16-F21 HydrophobicContact CB-CE2 3.29Å; A16-F21 HydrophobicContact CB-CG 4.18Å; A16-F21 HydrophobicContact CB-CZ 3.5Å; A16-F21 VanDerWaalsContact CB-CZ 3.5Å; A16-F21 VanDerWaalsContact N-CE2 3.35Å; A16-N69 WeakPolarHBondContact CB-ND2 2.97Å; A16-N69 PolarHBondContact N-O 2.96Å; A16-N69 VanDerWaalsContact N-O 3.07Å; A16-N69 PolarHBondContact O-ND2 2.8Å
17	S	81.9	Confident	85.4	Confident	110 Å²	110	56.3 Å²	56.3	77%	0.769	37%	0.366	S	S	*	.			trans	-127.8	139	172.8	-176.4	0	0	0	0	108.7	F19	S17-F19 VanDerWaalsContact C-N 3.31Å; S17-F19 WeakPolarHBondContact O-CD1 3.23Å; S17-F19 PolarHBondContact O-N 2.81Å
18	G	77.4	Confident	85.7	Confident	85 Å²	85	54 Å²	54	88%	0.876	34%	0.34	S	S	*	.	S	Bend	trans	79.8	-0.1	179.2	0	0	0	0	0	116.1
19	F	70.2	Confident	85.9	Confident	75 Å²	75	54 Å²	54	33%	0.329	34%	0.335	S	S	.	.	S	Bend	trans	-154.3	160.7	171.5	65.3	-86.5	0	0	0	111	A16 S17 F21 N69	A16-F19 HydrophobicContact CB-CD1 4.37Å; A16-F19 HydrophobicContact CB-CD2 4.12Å; A16-F19 HydrophobicContact CB-CE1 3.82Å; A16-F19 HydrophobicContact CB-CE2 3.54Å; A16-F19 HydrophobicContact CB-CZ 3.38Å; S17-F19 VanDerWaalsContact C-N 3.31Å; S17-F19 WeakPolarHBondContact O-CD1 3.23Å; S17-F19 PolarHBondContact O-N 2.81Å; F19-F21 AromaticContact CE2-CD1 3.95Å; F19-F21 HydrophobicContact CE2-CD1 3.95Å; F19-F21 HydrophobicContact CE2-CE1 4.05Å; F19-F21 HydrophobicContact CZ-CE1 4.36Å; F19-N69 PolarHBondContact O-ND2 2.97Å
20	T	69.1	Low	85.9	Confident	64 Å²	64	51.1 Å²	51.1	39%	0.393	31%	0.314	S	S	.	.			trans	-94.2	128.7	176.3	-6	0	0	0	0	110.7	S22 D23	T20-S22 VanDerWaalsContact CB-OG 3.29Å; T20-S22 WeakPolarHBondContact CB-OG 3.12Å; T20-S22 WeakPolarHBondContact CG2-OG 3.47Å; T20-S22 PolarHBondContact O-N 2.94Å; T20-S22 VanDerWaalsContact O-N 3.15Å; T20-D23 PolarHBondContact O-N 3.44Å; T20-D23 PolarHBondContact OG1-OD2 3.3Å; T20-D23 VanDerWaalsContact OG1-OD2 3.08Å
21	F	67.7	Low	86	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.026	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-61.1	-20.1	173	-83.7	-56.9	0	0	0	112.7	A16 F19 D23 Y24 T26 R64 N69 L71	A16-F21 HydrophobicContact CB-CD1 4.3Å; A16-F21 HydrophobicContact CB-CD2 3.66Å; A16-F21 HydrophobicContact CB-CE1 4.01Å; A16-F21 HydrophobicContact CB-CE2 3.29Å; A16-F21 HydrophobicContact CB-CG 4.18Å; A16-F21 HydrophobicContact CB-CZ 3.5Å; A16-F21 VanDerWaalsContact CB-CZ 3.5Å; A16-F21 VanDerWaalsContact N-CE2 3.35Å; F19-F21 AromaticContact CE2-CD1 3.95Å; F19-F21 HydrophobicContact CE2-CD1 3.95Å; F19-F21 HydrophobicContact CE2-CE1 4.05Å; F19-F21 HydrophobicContact CZ-CE1 4.36Å; F21-D23 PolarHBondContact O-N 2.86Å; F21-D23 VanDerWaalsContact O-N 3.12Å; F21-Y24 PolarHBondContact O-N 3.17Å; F21-Y24 VanDerWaalsContact O-O 3.07Å; F21-T26 HydrophobicContact CD1-CG2 3.27Å; F21-T26 HydrophobicContact CE1-CG2 3.44Å; F21-T26 VanDerWaalsContact CE1-CG2 3.44Å; F21-T26 HydrophobicContact CG-CG2 4.41Å; F21-R64 PolarHBondContact O-NH2 2.79Å; F21-N69 WeakPolarHBondContact CB-OD1 3.47Å; F21-N69 HydrophobicContact CD2-CB 4.48Å; F21-N69 VanDerWaalsContact CD2-O 3.26Å; F21-N69 WeakPolarHBondContact CD2-O 3.45Å; F21-N69 VanDerWaalsContact CD2-OD1 3.23Å; F21-N69 WeakPolarHBondContact CD2-OD1 3.26Å; F21-N69 WeakPolarHBondContact CE2-O 3.41Å; F21-N69 PolarHBondContact N-OD1 2.76Å; F21-L71 HydrophobicContact CE1-CB 4.47Å; F21-L71 HydrophobicContact CE2-CB 4.24Å; F21-L71 HydrophobicContact CZ-CB 3.99Å
22	S	68.4	Low	85.9	Confident	46 Å²	46	48.4 Å²	48.4	32%	0.322	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-59.1	-17.8	176.9	53.5	0	0	0	0	114.3	T20 S45	T20-S22 VanDerWaalsContact CB-OG 3.29Å; T20-S22 WeakPolarHBondContact CB-OG 3.12Å; T20-S22 WeakPolarHBondContact CG2-OG 3.47Å; T20-S22 PolarHBondContact O-N 2.94Å; T20-S22 VanDerWaalsContact O-N 3.15Å; S22-S45 VanDerWaalsContact O-CB 3.26Å; S22-S45 WeakPolarHBondContact O-CB 3.32Å
23	D	74.3	Confident	85.5	Confident	93 Å²	93	53.6 Å²	53.6	50%	0.497	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-98.8	-15.3	-167.5	-52	-23.6	0	0	0	111.5	T20 F21	T20-D23 PolarHBondContact O-N 3.44Å; T20-D23 PolarHBondContact OG1-OD2 3.3Å; T20-D23 VanDerWaalsContact OG1-OD2 3.08Å; F21-D23 PolarHBondContact O-N 2.86Å; F21-D23 VanDerWaalsContact O-N 3.12Å
24	Y	80.9	Confident	85.3	Confident	107 Å²	107	58.6 Å²	58.6	42%	0.42	35%	0.354	S	S	.	.	S	Bend	trans	-138.9	149.1	-172.6	-57.8	-87.1	0	0	0	112.5	F21 S45 R90	F21-Y24 PolarHBondContact O-N 3.17Å; F21-Y24 VanDerWaalsContact O-O 3.07Å; Y24-S45 WeakPolarHBondContact O-CB 3.49Å; Y24-R90 HydrophobicContact CD1-CG 4.33Å; Y24-R90 HydrophobicContact CD2-CG 4.35Å; Y24-R90 VanDerWaalsContact CG-CD 3.49Å; Y24-R90 HydrophobicContact CG-CG 3.84Å; Y24-R90 VanDerWaalsContact CZ-NH1 3.31Å
25	G	88.3	Confident	85.2	Confident	16 Å²	16	63 Å²	63	17%	0.165	37%	0.371	C	S	.	.			trans	-63.8	154.3	161.9	0	0	0	0	0	110.1	I43	G25-I43 WeakPolarHBondContact CA-O 3.4Å
26	T	92.8	Very high	85.2	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.2	-176.9	50.7	0	0	0	0	111	F21 Y42 I43 L71	F21-T26 HydrophobicContact CD1-CG2 3.27Å; F21-T26 HydrophobicContact CE1-CG2 3.44Å; F21-T26 VanDerWaalsContact CE1-CG2 3.44Å; F21-T26 HydrophobicContact CG-CG2 4.41Å; T26-Y42 WeakPolarHBondContact O-CA 3.35Å; T26-Y42 VanDerWaalsContact O-CD2 3.3Å; T26-Y42 WeakPolarHBondContact O-CD2 3.26Å; T26-I43 PolarHBondContact N-O 2.86Å; T26-I43 PolarHBondContact O-N 3.21Å; T26-I43 WeakPolarHBondContact OG1-CG2 3.35Å; T26-L71 WeakPolarHBondContact OG1-CD1 3.3Å
27	H	95	Very high	85.8	Confident	56 Å²	56	66.8 Å²	66.8	26%	0.259	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.6	-176.3	-52.7	-111.2	0	0	0	110.3	W39 A41 Y42 C88 V89	H27-W39 AromaticContact ND1-CD1 3.8Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 2.76Å; H27-A41 CarbonylContact C-O 3.6Å; H27-A41 VanDerWaalsContact CA-O 3.25Å; H27-A41 WeakPolarHBondContact CA-O 3.42Å; H27-Y42 AromaticContact CD2-CD2 3.81Å; H27-Y42 AromaticContact CE1-CD2 3.22Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.42Å; H27-Y42 AromaticContact CE1-CE2 3.81Å; H27-Y42 AromaticContact CG-CD2 3.91Å; H27-Y42 AromaticContact ND1-CD2 3.57Å; H27-Y42 AromaticContact NE2-CD2 3.35Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.28Å; H27-Y42 AromaticContact NE2-CE2 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; H27-V89 HydrophobicContact CB-CG2 3.71Å; H27-V89 PolarHBondContact N-O 3.03Å; H27-V89 PolarHBondContact O-N 3.43Å
28	W	97.1	Very high	86.5	Confident	8 Å²	8	64.1 Å²	64.1	3%	0.03	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.5	156	-80	97.7	0	0	0	108.7	L12 C14 V40 A41 L71 L73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 3.86Å; L12-W28 HydrophobicContact CB-CZ2 4.21Å; L12-W28 HydrophobicContact CB-CZ3 4.43Å; L12-W28 HydrophobicContact CD1-CH2 4.5Å; L12-W28 HydrophobicContact CD1-CZ3 4.26Å; C14-W28 HydrophobicContact CB-CH2 3.95Å; C14-W28 HydrophobicContact CB-CZ2 3.97Å; W28-V40 HydrophobicContact CB-CB 4.05Å; W28-V40 HydrophobicContact CB-CG1 4.4Å; W28-V40 WeakPolarHBondContact O-CB 3.32Å; W28-V40 PolarHBondContact O-N 2.88Å; W28-A41 PolarHBondContact N-O 3.1Å; W28-A41 PolarHBondContact O-N 2.81Å; W28-L71 HydrophobicContact CG-CD2 4.45Å; W28-L71 HydrophobicContact CZ2-CD2 4.46Å; W28-L71 VanDerWaalsContact NE1-CD2 3.32Å; W28-L73 HydrophobicContact CB-CD2 4.29Å; W28-L73 HydrophobicContact CD2-CB 4.13Å; W28-L73 HydrophobicContact CD2-CD2 4.1Å; W28-L73 HydrophobicContact CG-CB 4.27Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 3.99Å; W28-L73 HydrophobicContact CG-CG 4.44Å; W28-L73 HydrophobicContact CZ2-CB 4.15Å; W28-Y87 WeakPolarHBondContact CA-O 3.42Å; W28-C88 HydrophobicContact CE3-CB 4.49Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.37Å
29	V	97.2	Very high	87.4	Confident	21 Å²	21	65 Å²	65	13%	0.127	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	154.8	170	-58.8	0	0	0	0	108.6	L37 E38 Y86 Y87 V89	V29-L37 HydrophobicContact CG2-CD2 4.13Å; V29-E38 CarbonylContact C-O 3.52Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.48Å; V29-Y86 WeakPolarHBondContact O-CA 3.47Å; V29-Y87 HydrophobicContact CG2-CD2 4.31Å; V29-Y87 PolarHBondContact N-O 3.18Å; V29-Y87 PolarHBondContact O-N 3.03Å; V29-V89 HydrophobicContact CG1-CG2 4.06Å; V29-V89 HydrophobicContact CG2-CG1 4.08Å; V29-V89 HydrophobicContact CG2-CG2 4.42Å
30	R	96.4	Very high	88.7	Confident	9 Å²	9	61.5 Å²	61.5	3%	0.034	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.1	176.7	73.2	-178.6	-176.5	-177.1	4.6	111.7	E38 V40 D82 A84 M85 Y86	R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 3.97Å; R30-E38 PolarHBondContact N-O 2.67Å; R30-E38 IonicContact NE-OE2 2.94Å; R30-E38 PolarHBondContact NE-OE2 2.96Å; R30-E38 IonicContact NH2-OE2 2.86Å; R30-E38 PolarHBondContact NH2-OE2 3Å; R30-E38 PolarHBondContact O-N 3.24Å; R30-V40 HydrophobicContact CB-CG2 3.86Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; R30-D82 IonicContact CZ-OD1 3.47Å; R30-D82 IonicContact NH1-OD1 2.97Å; R30-D82 PolarHBondContact NH1-OD1 3.27Å; R30-A84 HydrophobicContact CB-CB 3.87Å; R30-A84 HydrophobicContact CG-CB 4.15Å; R30-M85 CarbonylContact C-O 3.54Å; R30-M85 WeakPolarHBondContact CA-O 3.35Å; R30-M85 WeakPolarHBondContact CB-O 3.35Å; R30-Y86 HydrophobicContact CB-CD1 3.79Å; R30-Y86 HydrophobicContact CB-CD2 4.44Å; R30-Y86 HydrophobicContact CB-CE1 3.76Å; R30-Y86 HydrophobicContact CB-CE2 4.4Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 HydrophobicContact CG-CE1 4.39Å; R30-Y86 PolarHBondContact NH1-OH 2.99Å
31	Q	96.1	Very high	90.1	Very high	79 Å²	79	58.4 Å²	58.4	37%	0.369	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	116	175.8	-166.9	176.3	15.4	0	0	109.7	K35 L37 A84 M85 Y87	Q31-K35 WeakPolarHBondContact CG-O 3.12Å; Q31-L37 HydrophobicContact CB-CD2 4.09Å; Q31-A84 WeakPolarHBondContact O-CA 3.22Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; Q31-M85 PolarHBondContact N-O 3.04Å; Q31-M85 PolarHBondContact O-N 3.14Å; Q31-Y87 HydrophobicContact CB-CE2 4Å
32	A	94.2	Very high	91.5	Very high	20 Å²	20	60.6 Å²	60.6	17%	0.165	32%	0.316	C	S	.	.			trans	-83	155.2	170.2	0	0	0	0	0	109.8	E34 K35 A84	A32-E34 PolarHBondContact O-N 2.82Å; A32-K35 HydrophobicContact CB-CB 4.06Å; A32-K35 HydrophobicContact CB-CD 4.25Å; A32-K35 HydrophobicContact CB-CG 4.17Å; A32-K35 PolarHBondContact O-N 3.35Å; A32-A84 HydrophobicContact CB-CB 4.39Å
33	P	89.2	Confident	92.8	Very high	128 Å²	128	58.6 Å²	58.6	83%	0.831	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.4	-174.4	-28.8	35.7	0	0	0	115.5
34	E	89.8	Confident	93.7	Very high	196 Å²	196	54.6 Å²	54.6	92%	0.916	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	12	-177.9	-60	-177.4	171.7	0	0	113.1	A32	A32-E34 PolarHBondContact O-N 2.82Å
35	K	89.9	Confident	94.1	Very high	110 Å²	110	51.9 Å²	51.9	48%	0.478	28%	0.278	S	S	.	.	S	Bend	trans	-126.3	157.1	-176.6	-62	-169.9	176.2	-176.5	0	112.2	Q31 A32 E38	Q31-K35 WeakPolarHBondContact CG-O 3.12Å; A32-K35 HydrophobicContact CB-CB 4.06Å; A32-K35 HydrophobicContact CB-CD 4.25Å; A32-K35 HydrophobicContact CB-CG 4.17Å; A32-K35 PolarHBondContact O-N 3.35Å; K35-E38 VanDerWaalsContact CD-OE1 3.23Å; K35-E38 WeakPolarHBondContact CD-OE1 3.23Å; K35-E38 IonicContact NZ-OE1 3.41Å; K35-E38 PolarHBondContact NZ-OE1 2.88Å
36	G	91.9	Very high	94.1	Very high	53 Å²	53	53.7 Å²	53.7	55%	0.546	30%	0.297	S	S	.	.			trans	-68	-177.9	168.4	0	0	0	0	0	112.5	E38	G36-E38 PolarHBondContact O-N 2.93Å
37	L	94.5	Very high	94	Very high	120 Å²	120	56.2 Å²	56.2	63%	0.628	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	124.2	171.7	-73	166.2	0	0	0	110	V29 Q31 Y87	V29-L37 HydrophobicContact CG2-CD2 4.13Å; Q31-L37 HydrophobicContact CB-CD2 4.09Å; L37-Y87 HydrophobicContact CD2-CD2 4.38Å
38	E	95.9	Very high	93.9	Very high	54 Å²	54	58.4 Å²	58.4	25%	0.252	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.9	173.4	-67.2	-178	178.2	0	0	109.3	V29 R30 K35 G36	V29-E38 CarbonylContact C-O 3.52Å; V29-E38 VanDerWaalsContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CA-O 3.48Å; R30-E38 HydrophobicContact CG-CB 4Å; R30-E38 IonicContact CZ-OE2 3.97Å; R30-E38 PolarHBondContact N-O 2.67Å; R30-E38 IonicContact NE-OE2 2.94Å; R30-E38 PolarHBondContact NE-OE2 2.96Å; R30-E38 IonicContact NH2-OE2 2.86Å; R30-E38 PolarHBondContact NH2-OE2 3Å; R30-E38 PolarHBondContact O-N 3.24Å; K35-E38 VanDerWaalsContact CD-OE1 3.23Å; K35-E38 WeakPolarHBondContact CD-OE1 3.23Å; K35-E38 IonicContact NZ-OE1 3.41Å; K35-E38 PolarHBondContact NZ-OE1 2.88Å; G36-E38 PolarHBondContact O-N 2.93Å
39	W	96.9	Very high	93.8	Very high	104 Å²	104	60.4 Å²	60.4	39%	0.394	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	134.8	173.8	177.6	78.7	0	0	0	111	H27 A41 Y52 G53	H27-W39 AromaticContact ND1-CD1 3.8Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 2.76Å; W39-A41 VanDerWaalsContact CZ2-C 3.42Å; W39-A41 PolarHBondContact NE1-O 3.41Å; W39-Y52 VanDerWaalsContact CZ3-C 3.45Å; W39-G53 VanDerWaalsContact CZ3-CA 3.5Å
40	V	97.5	Very high	93.9	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-53.4	-172.5	178.3	0	0	0	0	111.8	W28 R30 G53 V56 F60 L73 Y86	W28-V40 HydrophobicContact CB-CB 4.05Å; W28-V40 HydrophobicContact CB-CG1 4.4Å; W28-V40 WeakPolarHBondContact O-CB 3.32Å; W28-V40 PolarHBondContact O-N 2.88Å; R30-V40 HydrophobicContact CB-CG2 3.86Å; R30-V40 HydrophobicContact CG-CG2 3.64Å; V40-G53 PolarHBondContact O-N 2.86Å; V40-V56 HydrophobicContact CG1-CG1 4.37Å; V40-V56 HydrophobicContact CG1-CG2 4Å; V40-V56 WeakPolarHBondContact O-CG2 3.44Å; V40-F60 HydrophobicContact CG1-CD2 3.79Å; V40-F60 HydrophobicContact CG1-CE2 4.23Å; V40-L73 HydrophobicContact CG1-CD2 4.2Å; V40-Y86 HydrophobicContact CG2-CE1 4.22Å
41	A	97.8	Very high	93.9	Very high	0 Å²	0	69 Å²	69	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	160.3	-176.8	0	0	0	0	0	111.4	H27 W28 W39 Y51 Y52 I62	H27-A41 CarbonylContact C-O 3.6Å; H27-A41 VanDerWaalsContact CA-O 3.25Å; H27-A41 WeakPolarHBondContact CA-O 3.42Å; W28-A41 PolarHBondContact N-O 3.1Å; W28-A41 PolarHBondContact O-N 2.81Å; W39-A41 VanDerWaalsContact CZ2-C 3.42Å; W39-A41 PolarHBondContact NE1-O 3.41Å; A41-Y51 CarbonylContact C-O 3.54Å; A41-Y51 VanDerWaalsContact CA-O 3.26Å; A41-Y51 WeakPolarHBondContact CA-O 3.45Å; A41-Y52 HydrophobicContact CB-CD1 3.9Å; A41-Y52 HydrophobicContact CB-CE1 4.25Å; A41-I62 HydrophobicContact CB-CB 4.01Å; A41-I62 HydrophobicContact CB-CD1 3.98Å; A41-I62 HydrophobicContact CB-CG2 4.11Å
42	Y	96.8	Very high	94	Very high	52 Å²	52	68 Å²	68	20%	0.204	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.7	174.9	168.3	-101.3	0	0	0	110	T26 H27 I50 Y51	T26-Y42 WeakPolarHBondContact O-CA 3.35Å; T26-Y42 VanDerWaalsContact O-CD2 3.3Å; T26-Y42 WeakPolarHBondContact O-CD2 3.26Å; H27-Y42 AromaticContact CD2-CD2 3.81Å; H27-Y42 AromaticContact CE1-CD2 3.22Å; H27-Y42 WeakPolarHBondContact CE1-CD2 3.42Å; H27-Y42 AromaticContact CE1-CE2 3.81Å; H27-Y42 AromaticContact CG-CD2 3.91Å; H27-Y42 AromaticContact ND1-CD2 3.57Å; H27-Y42 AromaticContact NE2-CD2 3.35Å; H27-Y42 WeakPolarHBondContact NE2-CD2 3.28Å; H27-Y42 AromaticContact NE2-CE2 3.59Å; Y42-I50 VanDerWaalsContact O-CA 3.32Å; Y42-I50 WeakPolarHBondContact O-CA 3.15Å; Y42-Y51 AromaticContact CD1-CD2 3.65Å; Y42-Y51 HydrophobicContact CD1-CD2 3.65Å; Y42-Y51 HydrophobicContact CD1-CE2 4.27Å; Y42-Y51 HydrophobicContact CE1-CD2 4.31Å; Y42-Y51 HydrophobicContact CE1-CE2 4.5Å; Y42-Y51 HydrophobicContact CG-CD2 4.49Å; Y42-Y51 PolarHBondContact N-O 3.25Å; Y42-Y51 PolarHBondContact O-N 3.35Å
43	I	95.6	Very high	94.2	Very high	3 Å²	3	67.4 Å²	67.4	2%	0.015	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.9	168.6	-173.4	161.8	0	0	0	109.7	G25 T26 I50 I62 R64 L71	G25-I43 WeakPolarHBondContact CA-O 3.4Å; T26-I43 PolarHBondContact N-O 2.86Å; T26-I43 PolarHBondContact O-N 3.21Å; T26-I43 WeakPolarHBondContact OG1-CG2 3.35Å; I43-I50 HydrophobicContact CB-CG1 4.36Å; I43-I50 HydrophobicContact CD1-CD1 4Å; I43-I50 HydrophobicContact CD1-CG1 4.08Å; I43-I50 HydrophobicContact CG1-CD1 4.37Å; I43-I50 HydrophobicContact CG1-CG1 3.89Å; I43-I62 HydrophobicContact CB-CD1 3.92Å; I43-I62 HydrophobicContact CB-CG1 4.21Å; I43-I62 HydrophobicContact CB-CG2 4.11Å; I43-I62 HydrophobicContact CG2-CD1 3.54Å; I43-I62 HydrophobicContact CG2-CG1 3.9Å; I43-R64 HydrophobicContact CD1-CG 3.88Å; I43-R64 HydrophobicContact CG1-CG 4.47Å; I43-L71 HydrophobicContact CG2-CD1 3.63Å
44	S	93.5	Very high	94.5	Very high	10 Å²	10	68.2 Å²	68.2	7%	0.07	37%	0.371	C	S	.	.			trans	-68.5	161.9	175.6	69.8	0	0	0	0	111.8	G46 S47 S48 T49	S44-G46 PolarHBondContact O-N 3.08Å; S44-G46 VanDerWaalsContact O-N 3.16Å; S44-S47 PolarHBondContact O-N 3.25Å; S44-S47 PolarHBondContact OG-N 2.9Å; S44-S48 PolarHBondContact OG-N 3.31Å; S44-S48 PolarHBondContact OG-OG 2.9Å; S44-T49 PolarHBondContact N-O 2.96Å; S44-T49 PolarHBondContact OG-N 3.02Å; S44-T49 VanDerWaalsContact OG-N 3.09Å
45	S	89.7	Confident	94.6	Very high	49 Å²	49	63 Å²	63	34%	0.343	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18	-179.5	65	0	0	0	0	114.6	S22 Y24 R64	S22-S45 VanDerWaalsContact O-CB 3.26Å; S22-S45 WeakPolarHBondContact O-CB 3.32Å; Y24-S45 WeakPolarHBondContact O-CB 3.49Å; S45-R64 PolarHBondContact O-NH1 2.72Å; S45-R64 PolarHBondContact O-NH2 3.01Å
46	G	88.3	Confident	94.9	Very high	55 Å²	55	57.7 Å²	57.7	57%	0.567	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	1.1	171.4	0	0	0	0	0	113.9	S44 S48	S44-G46 PolarHBondContact O-N 3.08Å; S44-G46 VanDerWaalsContact O-N 3.16Å; G46-S48 PolarHBondContact O-N 3.03Å
47	S	91.5	Very high	95.1	Very high	52 Å²	52	62 Å²	62	36%	0.364	33%	0.333	S	S	.	.	S	Bend	trans	57.3	14.1	-171.3	-51.3	0	0	0	0	114.4	S44 R64	S44-S47 PolarHBondContact O-N 3.25Å; S44-S47 PolarHBondContact OG-N 2.9Å; S47-R64 WeakPolarHBondContact OG-CG 3.3Å; S47-R64 PolarHBondContact OG-NH1 2.83Å
48	S	92.7	Very high	95.2	Very high	102 Å²	102	60.1 Å²	60.1	71%	0.713	34%	0.342	S	S	*	.			trans	-78.5	-22.4	-179.5	55.8	0	0	0	0	113.1	S44 G46	S44-S48 PolarHBondContact OG-N 3.31Å; S44-S48 PolarHBondContact OG-OG 2.9Å; G46-S48 PolarHBondContact O-N 3.03Å
49	T	95.3	Very high	95.2	Very high	51 Å²	51	58.5 Å²	58.5	31%	0.313	33%	0.334	S	S	.	.			trans	-129.3	125.2	-178.3	-50.8	0	0	0	0	108.6	S44 Y51	S44-T49 PolarHBondContact N-O 2.96Å; S44-T49 PolarHBondContact OG-N 3.02Å; S44-T49 VanDerWaalsContact OG-N 3.09Å; T49-Y51 HydrophobicContact CG2-CD2 4.1Å; T49-Y51 HydrophobicContact CG2-CE1 4.34Å; T49-Y51 HydrophobicContact CG2-CE2 3.33Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.47Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.01Å
50	I	97.6	Very high	95.3	Very high	66 Å²	66	53.7 Å²	53.7	34%	0.338	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.7	179.4	-62.7	174.3	0	0	0	108.4	Y42 I43 Y52 I62	Y42-I50 VanDerWaalsContact O-CA 3.32Å; Y42-I50 WeakPolarHBondContact O-CA 3.15Å; I43-I50 HydrophobicContact CB-CG1 4.36Å; I43-I50 HydrophobicContact CD1-CD1 4Å; I43-I50 HydrophobicContact CD1-CG1 4.08Å; I43-I50 HydrophobicContact CG1-CD1 4.37Å; I43-I50 HydrophobicContact CG1-CG1 3.89Å; I50-Y52 HydrophobicContact CG2-CD2 4.13Å; I50-Y52 HydrophobicContact CG2-CE1 4.18Å; I50-Y52 HydrophobicContact CG2-CE2 3.4Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.43Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.29Å; I50-I62 HydrophobicContact CG2-CG2 3.51Å
51	Y	97.8	Very high	95.3	Very high	143 Å²	143	57.2 Å²	57.2	56%	0.561	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.6	173	-58.9	-66.6	0	0	0	110.5	A41 Y42 T49	A41-Y51 CarbonylContact C-O 3.54Å; A41-Y51 VanDerWaalsContact CA-O 3.26Å; A41-Y51 WeakPolarHBondContact CA-O 3.45Å; Y42-Y51 AromaticContact CD1-CD2 3.65Å; Y42-Y51 HydrophobicContact CD1-CD2 3.65Å; Y42-Y51 HydrophobicContact CD1-CE2 4.27Å; Y42-Y51 HydrophobicContact CE1-CD2 4.31Å; Y42-Y51 HydrophobicContact CE1-CE2 4.5Å; Y42-Y51 HydrophobicContact CG-CD2 4.49Å; Y42-Y51 PolarHBondContact N-O 3.25Å; Y42-Y51 PolarHBondContact O-N 3.35Å; T49-Y51 HydrophobicContact CG2-CD2 4.1Å; T49-Y51 HydrophobicContact CG2-CE1 4.34Å; T49-Y51 HydrophobicContact CG2-CE2 3.33Å; T49-Y51 VanDerWaalsContact CG2-CZ 3.47Å; T49-Y51 WeakPolarHBondContact CG2-OH 3.01Å
52	Y	98.2	Very high	95.3	Very high	60 Å²	60	57.4 Å²	57.4	24%	0.235	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	141.7	178.6	-62.9	-77.5	0	0	0	109.5	W39 A41 I50 F60 I62	W39-Y52 VanDerWaalsContact CZ3-C 3.45Å; A41-Y52 HydrophobicContact CB-CD1 3.9Å; A41-Y52 HydrophobicContact CB-CE1 4.25Å; I50-Y52 HydrophobicContact CG2-CD2 4.13Å; I50-Y52 HydrophobicContact CG2-CE1 4.18Å; I50-Y52 HydrophobicContact CG2-CE2 3.4Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.43Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.29Å; Y52-F60 WeakPolarHBondContact CE1-O 3.37Å; Y52-I62 HydrophobicContact CE1-CB 4.33Å; Y52-I62 HydrophobicContact CE1-CG2 3.83Å; Y52-I62 PolarHBondContact OH-N 2.91Å
53	G	97	Very high	95.2	Very high	7 Å²	7	57.2 Å²	57.2	7%	0.072	35%	0.345	C	S	.	.			trans	-63.9	145.1	168.8	0	0	0	0	0	110.7	W39 V40 T55 V56 K57	W39-G53 VanDerWaalsContact CZ3-CA 3.5Å; V40-G53 PolarHBondContact O-N 2.86Å; G53-T55 PolarHBondContact O-N 2.97Å; G53-T55 VanDerWaalsContact O-N 3.14Å; G53-V56 VanDerWaalsContact O-CG2 3.28Å; G53-V56 WeakPolarHBondContact O-CG2 3.25Å; G53-V56 PolarHBondContact O-N 3.31Å; G53-K57 PolarHBondContact O-N 3.34Å
54	D	95.6	Very high	95	Very high	145 Å²	145	58.3 Å²	58.3	78%	0.775	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.3	-173.4	-66.2	-37.9	0	0	0	112.8	V56	D54-V56 VanDerWaalsContact C-N 3.27Å; D54-V56 PolarHBondContact O-N 2.89Å
55	T	93.4	Very high	94.9	Very high	85 Å²	85	60.2 Å²	60.2	52%	0.521	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.1	179.6	55.8	0	0	0	0	114	G53 R59	G53-T55 PolarHBondContact O-N 2.97Å; G53-T55 VanDerWaalsContact O-N 3.14Å; T55-R59 PolarHBondContact O-NH2 2.85Å
56	V	96.2	Very high	94.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-8.5	-174.3	-60.3	0	0	0	0	113.3	V40 G53 D54 G58 R59 F60	V40-V56 HydrophobicContact CG1-CG1 4.37Å; V40-V56 HydrophobicContact CG1-CG2 4Å; V40-V56 WeakPolarHBondContact O-CG2 3.44Å; G53-V56 VanDerWaalsContact O-CG2 3.28Å; G53-V56 WeakPolarHBondContact O-CG2 3.25Å; G53-V56 PolarHBondContact O-N 3.31Å; D54-V56 VanDerWaalsContact C-N 3.27Å; D54-V56 PolarHBondContact O-N 2.89Å; V56-G58 PolarHBondContact O-N 2.95Å; V56-R59 PolarHBondContact O-N 3.09Å; V56-F60 HydrophobicContact CB-CB 4.08Å; V56-F60 HydrophobicContact CB-CD1 4.32Å; V56-F60 HydrophobicContact CB-CD2 3.61Å; V56-F60 HydrophobicContact CB-CE2 4.04Å; V56-F60 HydrophobicContact CB-CG 3.75Å; V56-F60 HydrophobicContact CG1-CD2 3.59Å; V56-F60 HydrophobicContact CG1-CE2 3.49Å; V56-F60 VanDerWaalsContact CG1-CE2 3.49Å; V56-F60 HydrophobicContact CG1-CG 4.16Å; V56-F60 HydrophobicContact CG1-CZ 3.98Å; V56-F60 HydrophobicContact CG2-CB 4.4Å; V56-F60 HydrophobicContact CG2-CD2 4.19Å; V56-F60 HydrophobicContact CG2-CG 4.47Å; V56-F60 PolarHBondContact O-N 3.47Å
57	K	95.8	Very high	94.8	Very high	143 Å²	143	63 Å²	63	62%	0.622	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	130.1	179.8	-166.5	173.9	-173.8	175.9	0	110.7	G53 R59	G53-K57 PolarHBondContact O-N 3.34Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 2.93Å
58	G	95.9	Very high	94.7	Very high	80 Å²	80	67.7 Å²	67.7	83%	0.825	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-5.8	-177.1	0	0	0	0	0	115.4	V56	V56-G58 PolarHBondContact O-N 2.95Å
59	R	97.1	Very high	94.5	Very high	21 Å²	21	64.3 Å²	64.3	8%	0.079	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-35.8	176.4	-59.1	-170.7	-59	115.8	-0.1	112.4	T55 V56 K57 T76 S77 D82	T55-R59 PolarHBondContact O-NH2 2.85Å; V56-R59 PolarHBondContact O-N 3.09Å; K57-R59 VanDerWaalsContact C-N 3.27Å; K57-R59 PolarHBondContact O-N 2.93Å; R59-T76 PolarHBondContact O-N 3.21Å; R59-T76 PolarHBondContact O-OG1 3.08Å; R59-S77 PolarHBondContact NH1-O 3.2Å; R59-D82 IonicContact CZ-OD1 3.87Å; R59-D82 IonicContact CZ-OD2 3.41Å; R59-D82 IonicContact NH1-OD1 3.84Å; R59-D82 IonicContact NH1-OD2 2.67Å; R59-D82 PolarHBondContact NH1-OD2 2.96Å; R59-D82 IonicContact NH2-OD1 2.96Å; R59-D82 PolarHBondContact NH2-OD1 2.86Å; R59-D82 IonicContact NH2-OD2 3.24Å; R59-D82 PolarHBondContact NH2-OD2 3.13Å
60	F	97.6	Very high	94.3	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.013	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	144.6	-178	-66.4	10.9	0	0	0	110.2	V40 Y52 V56 L73 Q74 M75 L78 D82 Y86	V40-F60 HydrophobicContact CG1-CD2 3.79Å; V40-F60 HydrophobicContact CG1-CE2 4.23Å; Y52-F60 WeakPolarHBondContact CE1-O 3.37Å; V56-F60 HydrophobicContact CB-CB 4.08Å; V56-F60 HydrophobicContact CB-CD1 4.32Å; V56-F60 HydrophobicContact CB-CD2 3.61Å; V56-F60 HydrophobicContact CB-CE2 4.04Å; V56-F60 HydrophobicContact CB-CG 3.75Å; V56-F60 HydrophobicContact CG1-CD2 3.59Å; V56-F60 HydrophobicContact CG1-CE2 3.49Å; V56-F60 VanDerWaalsContact CG1-CE2 3.49Å; V56-F60 HydrophobicContact CG1-CG 4.16Å; V56-F60 HydrophobicContact CG1-CZ 3.98Å; V56-F60 HydrophobicContact CG2-CB 4.4Å; V56-F60 HydrophobicContact CG2-CD2 4.19Å; V56-F60 HydrophobicContact CG2-CG 4.47Å; V56-F60 PolarHBondContact O-N 3.47Å; F60-L73 HydrophobicContact CB-CD1 4.29Å; F60-L73 HydrophobicContact CD2-CD2 4.2Å; F60-Q74 CarbonylContact C-O 3.58Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; F60-M75 HydrophobicContact CD1-CB 3.83Å; F60-M75 HydrophobicContact CD1-CG 3.96Å; F60-M75 HydrophobicContact CD2-CG 3.9Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CG 3.98Å; F60-M75 HydrophobicContact CE2-CE 4.24Å; F60-M75 HydrophobicContact CE2-CG 3.88Å; F60-M75 HydrophobicContact CE2-SD 4.43Å; F60-M75 HydrophobicContact CG-CB 4.32Å; F60-M75 HydrophobicContact CG-CG 3.96Å; F60-M75 HydrophobicContact CZ-CB 4.13Å; F60-M75 HydrophobicContact CZ-CE 3.94Å; F60-M75 HydrophobicContact CZ-CG 3.94Å; F60-L78 HydrophobicContact CE1-CD2 4.01Å; F60-L78 HydrophobicContact CZ-CD2 3.97Å; F60-D82 HydrophobicContact CZ-CB 4.12Å; F60-Y86 HydrophobicContact CE2-CE1 4.19Å
61	T	97.9	Very high	94.1	Very high	75 Å²	75	60 Å²	60	46%	0.46	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118	177.7	-54.7	0	0	0	0	109	Q74	T61-Q74 PolarHBondContact N-O 2.77Å; T61-Q74 PolarHBondContact O-N 2.97Å
62	I	97.3	Very high	94	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.6	174.1	-170	173.9	0	0	0	109	A41 I43 I50 Y52 L71 L72 L73	A41-I62 HydrophobicContact CB-CB 4.01Å; A41-I62 HydrophobicContact CB-CD1 3.98Å; A41-I62 HydrophobicContact CB-CG2 4.11Å; I43-I62 HydrophobicContact CB-CD1 3.92Å; I43-I62 HydrophobicContact CB-CG1 4.21Å; I43-I62 HydrophobicContact CB-CG2 4.11Å; I43-I62 HydrophobicContact CG2-CD1 3.54Å; I43-I62 HydrophobicContact CG2-CG1 3.9Å; I50-I62 HydrophobicContact CG2-CG2 3.51Å; Y52-I62 HydrophobicContact CE1-CB 4.33Å; Y52-I62 HydrophobicContact CE1-CG2 3.83Å; Y52-I62 PolarHBondContact OH-N 2.91Å; I62-L71 HydrophobicContact CD1-CD1 4.09Å; I62-L71 HydrophobicContact CG1-CD1 4.01Å; I62-L72 WeakPolarHBondContact CA-O 3.18Å; I62-L73 HydrophobicContact CB-CD1 4.2Å
63	S	95.4	Very high	94	Very high	48 Å²	48	51.8 Å²	51.8	34%	0.336	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	165.5	173.8	61.8	0	0	0	0	110.4	L72	S63-L72 PolarHBondContact N-O 3.33Å; S63-L72 WeakPolarHBondContact O-CA 3.38Å; S63-L72 PolarHBondContact O-N 3.31Å; S63-L72 VanDerWaalsContact O-O 3.1Å
64	R	92.2	Very high	94	Very high	27 Å²	27	54.6 Å²	54.6	10%	0.102	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.4	-179.3	59.1	-163	-80.3	-88.4	10.7	111.4	F21 I43 S45 S47 N66 T70 L71	F21-R64 PolarHBondContact O-NH2 2.79Å; I43-R64 HydrophobicContact CD1-CG 3.88Å; I43-R64 HydrophobicContact CG1-CG 4.47Å; S45-R64 PolarHBondContact O-NH1 2.72Å; S45-R64 PolarHBondContact O-NH2 3.01Å; S47-R64 WeakPolarHBondContact OG-CG 3.3Å; S47-R64 PolarHBondContact OG-NH1 2.83Å; R64-N66 PolarHBondContact NE-OD1 2.8Å; R64-N66 PolarHBondContact NH1-ND2 2.88Å; R64-N66 PolarHBondContact NH1-OD1 2.91Å; R64-N66 VanDerWaalsContact NH1-OD1 3.13Å; R64-N66 PolarHBondContact NH2-ND2 3.49Å; R64-N66 PolarHBondContact NH2-OD1 2.01Å; R64-T70 CarbonylContact C-O 3.52Å; R64-T70 WeakPolarHBondContact CA-O 3.38Å; R64-L71 HydrophobicContact CB-CD1 4.02Å
65	D	90.8	Very high	94.1	Very high	49 Å²	49	47.9 Å²	47.9	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	103.9	173.9	-175.1	-25	0	0	0	107.7	A67 K68 N69 T70	D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.32Å; D65-A67 PolarHBondContact OD1-N 3.47Å; D65-A67 VanDerWaalsContact OD1-N 3.12Å; D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 CarbonylContact O-C 3.49Å; D65-K68 PolarHBondContact O-N 2.81Å; D65-K68 PolarHBondContact OD1-N 3.23Å; D65-K68 WeakPolarHBondContact OD2-CD 3.36Å; D65-K68 VanDerWaalsContact OD2-CE 3.3Å; D65-K68 WeakPolarHBondContact OD2-CE 3.48Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 3.52Å; D65-N69 WeakPolarHBondContact O-CA 3.14Å; D65-N69 PolarHBondContact O-N 2.62Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 2.88Å
66	N	87.8	Confident	94.2	Very high	64 Å²	64	46 Å²	46	34%	0.342	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.6	-177	-66.1	-13.9	0	0	0	112.2	R64 K68 N69	R64-N66 PolarHBondContact NE-OD1 2.8Å; R64-N66 PolarHBondContact NH1-ND2 2.88Å; R64-N66 PolarHBondContact NH1-OD1 2.91Å; R64-N66 VanDerWaalsContact NH1-OD1 3.13Å; R64-N66 PolarHBondContact NH2-ND2 3.49Å; R64-N66 PolarHBondContact NH2-OD1 2.01Å; N66-K68 VanDerWaalsContact C-N 3.25Å; N66-K68 PolarHBondContact O-N 2.92Å; N66-N69 PolarHBondContact O-N 2.69Å
67	A	88	Confident	94.2	Very high	100 Å²	100	49.2 Å²	49.2	83%	0.826	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-34.3	177.2	0	0	0	0	0	110.9	D65	D65-A67 VanDerWaalsContact C-N 3.35Å; D65-A67 WeakPolarHBondContact OD1-CB 3.32Å; D65-A67 PolarHBondContact OD1-N 3.47Å; D65-A67 VanDerWaalsContact OD1-N 3.12Å
68	K	89.2	Confident	94.2	Very high	150 Å²	150	43.3 Å²	43.3	65%	0.652	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	4.8	176.5	-60.7	-176.6	-167.3	160.3	0	114	D65 N66 T70	D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 CarbonylContact O-C 3.49Å; D65-K68 PolarHBondContact O-N 2.81Å; D65-K68 PolarHBondContact OD1-N 3.23Å; D65-K68 WeakPolarHBondContact OD2-CD 3.36Å; D65-K68 VanDerWaalsContact OD2-CE 3.3Å; D65-K68 WeakPolarHBondContact OD2-CE 3.48Å; D65-K68 WeakPolarHBondContact OD2-CG 3.49Å; D65-K68 IonicContact OD2-NZ 3.52Å; N66-K68 VanDerWaalsContact C-N 3.25Å; N66-K68 PolarHBondContact O-N 2.92Å; K68-T70 PolarHBondContact O-N 3.06Å; K68-T70 VanDerWaalsContact O-N 3.13Å; K68-T70 PolarHBondContact O-OG1 3.16Å
69	N	88.2	Confident	94.1	Very high	30 Å²	30	45.9 Å²	45.9	16%	0.16	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	47.7	-175.9	-154.9	30.7	0	0	0	112.7	A16 F19 F21 D65 N66	A16-N69 WeakPolarHBondContact CB-ND2 2.97Å; A16-N69 PolarHBondContact N-O 2.96Å; A16-N69 VanDerWaalsContact N-O 3.07Å; A16-N69 PolarHBondContact O-ND2 2.8Å; F19-N69 PolarHBondContact O-ND2 2.97Å; F21-N69 WeakPolarHBondContact CB-OD1 3.47Å; F21-N69 HydrophobicContact CD2-CB 4.48Å; F21-N69 VanDerWaalsContact CD2-O 3.26Å; F21-N69 WeakPolarHBondContact CD2-O 3.45Å; F21-N69 VanDerWaalsContact CD2-OD1 3.23Å; F21-N69 WeakPolarHBondContact CD2-OD1 3.26Å; F21-N69 WeakPolarHBondContact CE2-O 3.41Å; F21-N69 PolarHBondContact N-OD1 2.76Å; D65-N69 WeakPolarHBondContact O-CA 3.14Å; D65-N69 PolarHBondContact O-N 2.62Å; N66-N69 PolarHBondContact O-N 2.69Å
70	T	91.7	Very high	93.8	Very high	27 Å²	27	48.6 Å²	48.6	17%	0.166	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	130.4	-173	-60.8	0	0	0	0	111.8	C14 R64 D65 K68 L72	C14-T70 CarbonylContact O-C 3.56Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; R64-T70 CarbonylContact C-O 3.52Å; R64-T70 WeakPolarHBondContact CA-O 3.38Å; D65-T70 PolarHBondContact N-O 2.9Å; D65-T70 PolarHBondContact O-N 2.88Å; K68-T70 PolarHBondContact O-N 3.06Å; K68-T70 VanDerWaalsContact O-N 3.13Å; K68-T70 PolarHBondContact O-OG1 3.16Å; T70-L72 HydrophobicContact CG2-CD2 3.75Å; T70-L72 HydrophobicContact CG2-CG 4.2Å
71	L	93.7	Very high	93.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.5	168.4	-173	69.3	0	0	0	109.9	S13 C14 F21 T26 W28 I43 I62 R64 C88	S13-L71 CarbonylContact C-O 3.53Å; S13-L71 WeakPolarHBondContact CA-O 3.34Å; C14-L71 HydrophobicContact CB-CB 4.35Å; C14-L71 PolarHBondContact N-O 3.36Å; C14-L71 PolarHBondContact O-N 2.88Å; F21-L71 HydrophobicContact CE1-CB 4.47Å; F21-L71 HydrophobicContact CE2-CB 4.24Å; F21-L71 HydrophobicContact CZ-CB 3.99Å; T26-L71 WeakPolarHBondContact OG1-CD1 3.3Å; W28-L71 HydrophobicContact CG-CD2 4.45Å; W28-L71 HydrophobicContact CZ2-CD2 4.46Å; W28-L71 VanDerWaalsContact NE1-CD2 3.32Å; I43-L71 HydrophobicContact CG2-CD1 3.63Å; I62-L71 HydrophobicContact CD1-CD1 4.09Å; I62-L71 HydrophobicContact CG1-CD1 4.01Å; R64-L71 HydrophobicContact CB-CD1 4.02Å; L71-C88 HydrophobicContact CD2-CB 3.96Å
72	L	95.5	Very high	93.4	Very high	31 Å²	31	50.3 Å²	50.3	16%	0.162	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.8	-176.4	-60	172.1	0	0	0	110.1	L12 I62 S63 T70	L12-L72 WeakPolarHBondContact O-CA 3.49Å; I62-L72 WeakPolarHBondContact CA-O 3.18Å; S63-L72 PolarHBondContact N-O 3.33Å; S63-L72 WeakPolarHBondContact O-CA 3.38Å; S63-L72 PolarHBondContact O-N 3.31Å; S63-L72 VanDerWaalsContact O-O 3.1Å; T70-L72 HydrophobicContact CG2-CD2 3.75Å; T70-L72 HydrophobicContact CG2-CG 4.2Å
73	L	97.6	Very high	93.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	108.8	168.6	-170	67.4	0	0	0	108.6	K11 L12 W28 V40 F60 I62 M75 Y86	K11-L73 WeakPolarHBondContact CA-O 3.43Å; L12-L73 HydrophobicContact CB-CB 4.3Å; L12-L73 HydrophobicContact CD1-CD2 4.49Å; L12-L73 PolarHBondContact N-O 3.47Å; L12-L73 PolarHBondContact O-N 3.1Å; W28-L73 HydrophobicContact CB-CD2 4.29Å; W28-L73 HydrophobicContact CD2-CB 4.13Å; W28-L73 HydrophobicContact CD2-CD2 4.1Å; W28-L73 HydrophobicContact CG-CB 4.27Å; W28-L73 HydrophobicContact CG-CD1 4.34Å; W28-L73 HydrophobicContact CG-CD2 3.99Å; W28-L73 HydrophobicContact CG-CG 4.44Å; W28-L73 HydrophobicContact CZ2-CB 4.15Å; V40-L73 HydrophobicContact CG1-CD2 4.2Å; F60-L73 HydrophobicContact CB-CD1 4.29Å; F60-L73 HydrophobicContact CD2-CD2 4.2Å; I62-L73 HydrophobicContact CB-CD1 4.2Å; L73-M75 HydrophobicContact CD2-CG 3.97Å; L73-M75 HydrophobicContact CD2-SD 3.98Å; L73-M75 HydrophobicContact CG-CG 3.91Å; L73-M75 HydrophobicContact CG-SD 4.4Å; L73-Y86 HydrophobicContact CD2-CD1 4.08Å; L73-Y86 HydrophobicContact CD2-CE1 4.24Å
74	Q	97.5	Very high	93.2	Very high	65 Å²	65	54.1 Å²	54.1	30%	0.304	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.4	169.5	-176.1	66.9	34.4	0	0	108.1	F60 T61 T76	F60-Q74 CarbonylContact C-O 3.58Å; F60-Q74 VanDerWaalsContact CA-O 3.29Å; F60-Q74 WeakPolarHBondContact CA-O 3.44Å; T61-Q74 PolarHBondContact N-O 2.77Å; T61-Q74 PolarHBondContact O-N 2.97Å; Q74-T76 HydrophobicContact CG-CG2 4.35Å
75	M	97.1	Very high	93.3	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.02	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.4	-178.9	-60.8	159.2	49.5	0	0	108.1	S9 L10 L12 F60 L73 L78 Y86	S9-M75 CarbonylContact C-O 3.53Å; S9-M75 WeakPolarHBondContact CA-O 3.29Å; S9-M75 WeakPolarHBondContact CB-O 3.49Å; L10-M75 PolarHBondContact N-O 2.91Å; L10-M75 WeakPolarHBondContact O-CB 3.46Å; L10-M75 PolarHBondContact O-N 3.41Å; L12-M75 HydrophobicContact CD1-SD 3.64Å; L12-M75 HydrophobicContact CG-SD 3.84Å; F60-M75 HydrophobicContact CD1-CB 3.83Å; F60-M75 HydrophobicContact CD1-CG 3.96Å; F60-M75 HydrophobicContact CD2-CG 3.9Å; F60-M75 HydrophobicContact CE1-CB 3.75Å; F60-M75 HydrophobicContact CE1-CG 3.98Å; F60-M75 HydrophobicContact CE2-CE 4.24Å; F60-M75 HydrophobicContact CE2-CG 3.88Å; F60-M75 HydrophobicContact CE2-SD 4.43Å; F60-M75 HydrophobicContact CG-CB 4.32Å; F60-M75 HydrophobicContact CG-CG 3.96Å; F60-M75 HydrophobicContact CZ-CB 4.13Å; F60-M75 HydrophobicContact CZ-CE 3.94Å; F60-M75 HydrophobicContact CZ-CG 3.94Å; L73-M75 HydrophobicContact CD2-CG 3.97Å; L73-M75 HydrophobicContact CD2-SD 3.98Å; L73-M75 HydrophobicContact CG-CG 3.91Å; L73-M75 HydrophobicContact CG-SD 4.4Å; M75-L78 HydrophobicContact CB-CD2 4.06Å; M75-L78 HydrophobicContact CB-CG 4.34Å; M75-L78 HydrophobicContact CE-CD1 4.25Å; M75-L78 HydrophobicContact CE-CD2 3.28Å; M75-L78 HydrophobicContact CE-CG 4.31Å; M75-Y86 HydrophobicContact CE-CE1 4.42Å; M75-Y86 HydrophobicContact CE-CE2 4.17Å; M75-Y86 HydrophobicContact SD-CE1 4.42Å
76	T	96.6	Very high	93.6	Very high	47 Å²	47	58.4 Å²	58.4	29%	0.288	32%	0.32	S	S	.	.			trans	-116.5	161.7	175.5	68.2	0	0	0	0	110.8	R59 Q74 L78	R59-T76 PolarHBondContact O-N 3.21Å; R59-T76 PolarHBondContact O-OG1 3.08Å; Q74-T76 HydrophobicContact CG-CG2 4.35Å; T76-L78 VanDerWaalsContact C-N 3.3Å; T76-L78 PolarHBondContact O-N 3.15Å
77	S	95.3	Very high	93.9	Very high	67 Å²	67	59.9 Å²	59.9	47%	0.469	32%	0.321	S	S	.	.	S	Bend	trans	48.7	52.5	178.8	-57.6	0	0	0	0	112	G8 R59	G8-S77 PolarHBondContact O-N 3.28Å; R59-S77 PolarHBondContact NH1-O 3.2Å
78	L	95.6	Very high	94.1	Very high	18 Å²	18	57.2 Å²	57.2	9%	0.094	30%	0.296	C	S	.	.			trans	-63	140.7	-176	-81.8	166	0	0	0	112.2	V4 P6 G7 G8 L10 F60 M75 T76 D82	V4-L78 HydrophobicContact CB-CD1 4.33Å; V4-L78 HydrophobicContact CG1-CD1 4.43Å; P6-L78 CarbonylContact C-O 3.43Å; P6-L78 WeakPolarHBondContact CA-O 3.23Å; G7-L78 PolarHBondContact N-O 2.8Å; G8-L78 PolarHBondContact O-N 3.12Å; G8-L78 VanDerWaalsContact O-N 3.08Å; L10-L78 HydrophobicContact CB-CD1 3.79Å; F60-L78 HydrophobicContact CE1-CD2 4.01Å; F60-L78 HydrophobicContact CZ-CD2 3.97Å; M75-L78 HydrophobicContact CB-CD2 4.06Å; M75-L78 HydrophobicContact CB-CG 4.34Å; M75-L78 HydrophobicContact CE-CD1 4.25Å; M75-L78 HydrophobicContact CE-CD2 3.28Å; M75-L78 HydrophobicContact CE-CG 4.31Å; T76-L78 VanDerWaalsContact C-N 3.3Å; T76-L78 PolarHBondContact O-N 3.15Å; L78-D82 HydrophobicContact CD2-CB 3.73Å
79	R	94.3	Very high	94.2	Very high	134 Å²	134	53 Å²	53	51%	0.506	28%	0.283	S	S	.	.			trans	-115.8	164.8	177.7	-54.4	177.2	-178.8	171.5	-1.4	110.5	E81 D82	R79-E81 WeakPolarHBondContact CB-OE2 3.42Å; R79-E81 PolarHBondContact O-N 3.07Å; R79-D82 PolarHBondContact N-OD2 2.97Å; R79-D82 WeakPolarHBondContact O-CB 3.16Å; R79-D82 PolarHBondContact O-N 2.79Å
80	S	91.4	Very high	94.1	Very high	79 Å²	79	59.4 Å²	59.4	55%	0.552	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-53.9	-37.7	172.5	26	0	0	0	0	112.2	D82 T83	S80-D82 PolarHBondContact O-N 3.13Å; S80-T83 WeakPolarHBondContact O-CB 3.26Å; S80-T83 PolarHBondContact O-N 3.39Å; S80-T83 VanDerWaalsContact O-N 3.17Å; S80-T83 PolarHBondContact O-OG1 2.83Å
81	E	91.7	Very high	94.2	Very high	108 Å²	108	61.1 Å²	61.1	51%	0.505	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-69.3	-13.3	-179.1	-51.5	75.7	-123.8	0	0	113	R79 T83	R79-E81 WeakPolarHBondContact CB-OE2 3.42Å; R79-E81 PolarHBondContact O-N 3.07Å; E81-T83 VanDerWaalsContact C-N 3.33Å
82	D	93.9	Very high	94.2	Very high	5 Å²	5	64.3 Å²	64.3	3%	0.027	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-87.4	-3.8	177.6	-58.1	-48	0	0	0	112.9	R30 R59 F60 L78 R79 S80 A84 Y86	R30-D82 IonicContact CZ-OD1 3.47Å; R30-D82 IonicContact NH1-OD1 2.97Å; R30-D82 PolarHBondContact NH1-OD1 3.27Å; R59-D82 IonicContact CZ-OD1 3.87Å; R59-D82 IonicContact CZ-OD2 3.41Å; R59-D82 IonicContact NH1-OD1 3.84Å; R59-D82 IonicContact NH1-OD2 2.67Å; R59-D82 PolarHBondContact NH1-OD2 2.96Å; R59-D82 IonicContact NH2-OD1 2.96Å; R59-D82 PolarHBondContact NH2-OD1 2.86Å; R59-D82 IonicContact NH2-OD2 3.24Å; R59-D82 PolarHBondContact NH2-OD2 3.13Å; F60-D82 HydrophobicContact CZ-CB 4.12Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; R79-D82 PolarHBondContact N-OD2 2.97Å; R79-D82 WeakPolarHBondContact O-CB 3.16Å; R79-D82 PolarHBondContact O-N 2.79Å; S80-D82 PolarHBondContact O-N 3.13Å; D82-A84 PolarHBondContact O-N 3.12Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 3.23Å
83	T	94	Very high	94.1	Very high	107 Å²	107	66.1 Å²	66.1	66%	0.656	34%	0.337	S	S	*	.			trans	-69.4	104.3	174.3	-60.5	0	0	0	0	110.2	S80 E81	S80-T83 WeakPolarHBondContact O-CB 3.26Å; S80-T83 PolarHBondContact O-N 3.39Å; S80-T83 VanDerWaalsContact O-N 3.17Å; S80-T83 PolarHBondContact O-OG1 2.83Å; E81-T83 VanDerWaalsContact C-N 3.33Å
84	A	94.9	Very high	93.9	Very high	24 Å²	24	70 Å²	70	20%	0.198	36%	0.357	C	S	.	.	S	Bend	trans	-157.8	165.6	-177.3	0	0	0	0	0	110.1	R30 Q31 A32 D82 Y86	R30-A84 HydrophobicContact CB-CB 3.87Å; R30-A84 HydrophobicContact CG-CB 4.15Å; Q31-A84 WeakPolarHBondContact O-CA 3.22Å; Q31-A84 WeakPolarHBondContact O-CB 3.49Å; A32-A84 HydrophobicContact CB-CB 4.39Å; D82-A84 PolarHBondContact O-N 3.12Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE2 3.99Å; A84-Y86 VanDerWaalsContact O-CD2 3.23Å; A84-Y86 WeakPolarHBondContact O-CD2 3.34Å; A84-Y86 WeakPolarHBondContact O-CE2 3.49Å
85	M	95.6	Very high	93.7	Very high	126 Å²	126	70.3 Å²	70.3	62%	0.621	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	133.2	161.7	-64.6	-63.5	-108.9	0	0	108.5	R30 Q31 Y87	R30-M85 CarbonylContact C-O 3.54Å; R30-M85 WeakPolarHBondContact CA-O 3.35Å; R30-M85 WeakPolarHBondContact CB-O 3.35Å; Q31-M85 PolarHBondContact N-O 3.04Å; Q31-M85 PolarHBondContact O-N 3.14Å; M85-Y87 HydrophobicContact CB-CE2 3.7Å; M85-Y87 WeakPolarHBondContact CB-OH 3.5Å
86	Y	96.1	Very high	93.5	Very high	41 Å²	41	74.7 Å²	74.7	16%	0.161	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.7	-179.2	-74.4	-101.5	0	0	0	109.9	L12 V29 R30 V40 F60 L73 M75 D82 A84	L12-Y86 HydrophobicContact CD1-CD1 4.03Å; L12-Y86 HydrophobicContact CD1-CD2 4.01Å; L12-Y86 HydrophobicContact CD1-CG 3.59Å; V29-Y86 WeakPolarHBondContact O-CA 3.47Å; R30-Y86 HydrophobicContact CB-CD1 3.79Å; R30-Y86 HydrophobicContact CB-CD2 4.44Å; R30-Y86 HydrophobicContact CB-CE1 3.76Å; R30-Y86 HydrophobicContact CB-CE2 4.4Å; R30-Y86 HydrophobicContact CB-CG 4.14Å; R30-Y86 HydrophobicContact CG-CE1 4.39Å; R30-Y86 PolarHBondContact NH1-OH 2.99Å; V40-Y86 HydrophobicContact CG2-CE1 4.22Å; F60-Y86 HydrophobicContact CE2-CE1 4.19Å; L73-Y86 HydrophobicContact CD2-CD1 4.08Å; L73-Y86 HydrophobicContact CD2-CE1 4.24Å; M75-Y86 HydrophobicContact CE-CE1 4.42Å; M75-Y86 HydrophobicContact CE-CE2 4.17Å; M75-Y86 HydrophobicContact SD-CE1 4.42Å; D82-Y86 WeakPolarHBondContact O-CE2 3.34Å; D82-Y86 PolarHBondContact O-OH 3.23Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE2 3.99Å; A84-Y86 VanDerWaalsContact O-CD2 3.23Å; A84-Y86 WeakPolarHBondContact O-CD2 3.34Å; A84-Y86 WeakPolarHBondContact O-CE2 3.49Å
87	Y	94.8	Very high	93.3	Very high	94 Å²	94	76.7 Å²	76.7	37%	0.369	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.6	-178.9	-50.1	-87.7	0	0	0	109.6	W28 V29 Q31 L37 M85	W28-Y87 WeakPolarHBondContact CA-O 3.42Å; V29-Y87 HydrophobicContact CG2-CD2 4.31Å; V29-Y87 PolarHBondContact N-O 3.18Å; V29-Y87 PolarHBondContact O-N 3.03Å; Q31-Y87 HydrophobicContact CB-CE2 4Å; L37-Y87 HydrophobicContact CD2-CD2 4.38Å; M85-Y87 HydrophobicContact CB-CE2 3.7Å; M85-Y87 WeakPolarHBondContact CB-OH 3.5Å
88	C	92.6	Very high	93.1	Very high	45 Å²	45	77.5 Å²	77.5	30%	0.304	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.7	163.8	51.3	0	0	0	0	108.4	C14 H27 W28 L71	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.3Å; C14-C88 WeakPolarHBondContact SG-CB 3.15Å; C14-C88 CovalentContact SG-SG 2.01Å; C14-C88 PolarHBondContact SG-SG 2.83Å; H27-C88 WeakPolarHBondContact O-CA 3.37Å; W28-C88 HydrophobicContact CE3-CB 4.49Å; W28-C88 HydrophobicContact CH2-CB 4.34Å; W28-C88 HydrophobicContact CZ2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.37Å; L71-C88 HydrophobicContact CD2-CB 3.96Å
89	V	91.1	Very high	92.9	Very high	62 Å²	62	82.4 Å²	82.4	38%	0.376	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	150.2	177.5	-59.3	0	0	0	0	110	H27 V29	H27-V89 HydrophobicContact CB-CG2 3.71Å; H27-V89 PolarHBondContact N-O 3.03Å; H27-V89 PolarHBondContact O-N 3.43Å; V29-V89 HydrophobicContact CG1-CG2 4.06Å; V29-V89 HydrophobicContact CG2-CG1 4.08Å; V29-V89 HydrophobicContact CG2-CG2 4.42Å
90	R	84.6	Confident	92.8	Very high	164 Å²	164	77.7 Å²	77.7	62%	0.619	40%	0.399	S	S	*	.			trans	-98.6	0	173.6	-176.3	-173.8	76.1	160.3	-3.1	109	Y24	Y24-R90 HydrophobicContact CD1-CG 4.33Å; Y24-R90 HydrophobicContact CD2-CG 4.35Å; Y24-R90 VanDerWaalsContact CG-CD 3.49Å; Y24-R90 HydrophobicContact CG-CG 3.84Å; Y24-R90 VanDerWaalsContact CZ-NH1 3.31Å

Retrieved 90 of 90 residues in 22.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).