X5J5C5_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5C5, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 aa.

						>X5J5C5_MOUSE|X5J5C5
GASVKMSCKASGYTFTDYVISWVKQRTGQGLEWIGEIYPGSGSTYYNEKFKGKATLTADKSSNTAYMQLSSLTSEDFAVYFYARSGDGRDYFDYWGQGTTLTVSS
					

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	81.5	Confident	92.9	Very high	83 Å²	83	68.9 Å²	68.9	86%	0.856	44%	0.444	S	S	*	.				0	172.2	0	0	0	0	0	0	109.9
2	A	91.9	Very high	92.6	Very high	74 Å²	74	70.3 Å²	70.3	61%	0.612	48%	0.48	S	S	*	.			trans	-63.7	166.6	172.6	0	0	0	0	0	111.4	S71 L72	A2-S71 PolarHBondContact O-N 3.38Å; A2-L72 WeakPolarHBondContact O-CB 3.28Å; A2-L72 VanDerWaalsContact O-CG 3.28Å; A2-L72 WeakPolarHBondContact O-CG 3.33Å; A2-L72 PolarHBondContact O-N 2.88Å
3	S	95.3	Very high	92.2	Very high	69 Å²	69	68.1 Å²	68.1	48%	0.483	46%	0.456	S	S	.	.			trans	-124	147.6	174.3	-58	0	0	0	0	109.9	L69 S70	S3-L69 CarbonylContact C-O 3.32Å; S3-L69 WeakPolarHBondContact CA-O 3.23Å; S3-L69 WeakPolarHBondContact CB-O 3.27Å; S3-S70 WeakPolarHBondContact OG-CA 3.46Å
4	V	96.7	Very high	92.2	Very high	43 Å²	43	68.9 Å²	68.9	26%	0.261	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.9	176	69.5	0	0	0	0	109.9	Q68 L69 L72 L101	V4-Q68 CarbonylContact O-C 3.55Å; V4-Q68 VanDerWaalsContact O-CA 3.3Å; V4-Q68 WeakPolarHBondContact O-CA 3.43Å; V4-L69 HydrophobicContact CG1-CB 4.13Å; V4-L69 HydrophobicContact CG1-CD1 4.49Å; V4-L69 PolarHBondContact N-O 3.34Å; V4-L69 PolarHBondContact O-N 2.88Å; V4-L72 HydrophobicContact CB-CD1 4.13Å; V4-L72 HydrophobicContact CG1-CD1 3.92Å; V4-L72 HydrophobicContact CG1-CD2 4.48Å; V4-L101 HydrophobicContact CB-CD1 4.29Å; V4-L101 HydrophobicContact CG1-CD1 3.89Å; V4-L101 HydrophobicContact CG1-CD2 3.88Å; V4-L101 HydrophobicContact CG2-CD1 4.24Å
5	K	97.1	Very high	92.2	Very high	120 Å²	120	64.5 Å²	64.5	52%	0.522	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.2	173.5	-172.7	175.9	-179.3	-179.7	0	109.4	Y66 M67 Q68	K5-Y66 HydrophobicContact CD-CD1 4.34Å; K5-Y66 VanDerWaalsContact CE-CB 3.49Å; K5-Y66 VanDerWaalsContact CE-CG 3.41Å; K5-Y66 HydrophobicContact CG-CD1 4.32Å; K5-M67 WeakPolarHBondContact CA-O 3.31Å; K5-Q68 HydrophobicContact CG-CB 4.49Å
6	M	96.3	Very high	92.3	Very high	17 Å²	17	63.1 Å²	63.1	8%	0.084	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.6	-178.7	-58.5	172.8	66.2	0	0	108.8	W22 Y66 M67 Y80 T99	M6-W22 HydrophobicContact CB-CH2 4.3Å; M6-W22 HydrophobicContact CB-CZ3 4.17Å; M6-Y66 CarbonylContact O-C 3.55Å; M6-Y66 WeakPolarHBondContact O-CA 3.28Å; M6-M67 HydrophobicContact CE-CE 4.31Å; M6-M67 PolarHBondContact N-O 2.96Å; M6-M67 PolarHBondContact O-N 3.24Å; M6-M67 HydrophobicContact SD-CE 3.41Å; M6-M67 WeakPolarHBondContact SD-CE 3.49Å; M6-Y80 HydrophobicContact CE-CD2 4.32Å; M6-Y80 HydrophobicContact CE-CG 3.95Å; M6-Y80 HydrophobicContact SD-CD2 4.41Å; M6-Y80 HydrophobicContact SD-CG 4.14Å; M6-T99 HydrophobicContact CE-CG2 3.03Å
7	S	96.4	Very high	92.3	Very high	80 Å²	80	63.8 Å²	63.8	56%	0.559	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	147.5	-177.5	61.9	0	0	0	0	112.2	A65 Y66	S7-A65 CarbonylContact C-O 3.55Å; S7-A65 WeakPolarHBondContact CA-O 3.16Å; S7-Y66 VanDerWaalsContact CB-CD1 3.49Å; S7-Y66 VanDerWaalsContact CB-CE1 3.47Å
8	C	93.4	Very high	92.2	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.014	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	108.7	171.6	159.4	0	0	0	0	107.5	W22 T64 A65 Y82	C8-W22 HydrophobicContact CB-CH2 3.94Å; C8-W22 HydrophobicContact CB-CZ2 4.05Å; C8-T64 CarbonylContact O-C 3.54Å; C8-T64 VanDerWaalsContact O-CA 3.3Å; C8-T64 WeakPolarHBondContact O-CA 3.49Å; C8-T64 WeakPolarHBondContact O-CG2 3.49Å; C8-A65 HydrophobicContact CB-CB 4.4Å; C8-A65 PolarHBondContact N-O 2.79Å; C8-A65 PolarHBondContact O-N 2.92Å; C8-Y82 HydrophobicContact CB-CD1 3.74Å; C8-Y82 HydrophobicContact CB-CD2 4.04Å; C8-Y82 HydrophobicContact CB-CE1 4.12Å; C8-Y82 HydrophobicContact CB-CE2 4.37Å; C8-Y82 HydrophobicContact CB-CG 3.68Å; C8-Y82 WeakPolarHBondContact SG-CD2 3.24Å; C8-Y82 WeakPolarHBondContact SG-CE2 3.35Å; C8-Y82 VanDerWaalsContact SG-CG 3.51Å
9	K	94.6	Very high	92.3	Very high	153 Å²	153	61.4 Å²	61.4	67%	0.665	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	121	176	-174	173.7	-176.4	178.9	0	110
10	A	90.4	Very high	92.4	Very high	9 Å²	9	58.3 Å²	58.3	7%	0.074	37%	0.373	C	S	.	.			trans	-72.4	145.1	175.9	0	0	0	0	0	111.5	Y13 F15 N63	A10-Y13 HydrophobicContact CB-CE1 3.72Å; A10-Y13 HydrophobicContact CB-CE2 3.85Å; A10-Y13 VanDerWaalsContact CB-OH 3.23Å; A10-Y13 WeakPolarHBondContact CB-OH 3.34Å; A10-F15 HydrophobicContact CB-CB 3.93Å; A10-F15 HydrophobicContact CB-CD2 3.43Å; A10-F15 VanDerWaalsContact CB-CD2 3.43Å; A10-F15 HydrophobicContact CB-CE2 4.22Å; A10-F15 HydrophobicContact CB-CG 3.97Å; A10-N63 HydrophobicContact CB-CB 4.23Å; A10-N63 WeakPolarHBondContact CB-O 3.17Å; A10-N63 PolarHBondContact N-O 3.16Å
11	S	88.8	Confident	92.6	Very high	108 Å²	108	55.5 Å²	55.5	76%	0.755	36%	0.355	S	S	*	.			trans	-148.4	135.8	176.8	-176	0	0	0	0	109.4	Y13	S11-Y13 VanDerWaalsContact O-CD1 3.23Å; S11-Y13 WeakPolarHBondContact O-CD1 3.49Å
12	G	88.6	Confident	93.3	Very high	85 Å²	85	51.8 Å²	51.8	88%	0.876	32%	0.315	S	S	*	.	S	Bend	trans	78.8	15.7	175.6	0	0	0	0	0	115.9
13	Y	87.7	Confident	93.6	Very high	42 Å²	42	48.5 Å²	48.5	17%	0.165	29%	0.287	C	S	.	.	S	Bend	trans	-156	163	174.3	63.3	-85.6	0	0	0	111.9	A10 S11 F15 Y18 R84	A10-Y13 HydrophobicContact CB-CE1 3.72Å; A10-Y13 HydrophobicContact CB-CE2 3.85Å; A10-Y13 VanDerWaalsContact CB-OH 3.23Å; A10-Y13 WeakPolarHBondContact CB-OH 3.34Å; S11-Y13 VanDerWaalsContact O-CD1 3.23Å; S11-Y13 WeakPolarHBondContact O-CD1 3.49Å; Y13-F15 HydrophobicContact CE2-CD2 4.36Å; Y13-F15 PolarHBondContact O-N 2.76Å; Y13-F15 VanDerWaalsContact O-N 3.12Å; Y13-Y18 AromaticContact CD2-CD2 3.43Å; Y13-Y18 HydrophobicContact CD2-CD2 3.43Å; Y13-Y18 VanDerWaalsContact CD2-CD2 3.43Å; Y13-Y18 AromaticContact CD2-CE2 3.75Å; Y13-Y18 HydrophobicContact CD2-CE2 3.75Å; Y13-Y18 AromaticContact CD2-CG 3.95Å; Y13-Y18 HydrophobicContact CD2-CG 3.95Å; Y13-Y18 AromaticContact CE2-CD2 3.95Å; Y13-Y18 HydrophobicContact CE2-CD2 3.95Å; Y13-Y18 HydrophobicContact CE2-CG 4.04Å; Y13-Y18 HydrophobicContact CG-CD2 4.38Å; Y13-Y18 HydrophobicContact CG-CE2 4.28Å; Y13-R84 VanDerWaalsContact CZ-CD 3.47Å
14	T	92	Very high	93.6	Very high	80 Å²	80	45.2 Å²	45.2	49%	0.491	26%	0.264	S	S	.	.			trans	-71.6	101.3	172.7	-45.4	0	0	0	0	109.7	T16 D17 Y18	T14-T16 WeakPolarHBondContact CG2-OG1 3.26Å; T14-T16 PolarHBondContact O-N 3.3Å; T14-T16 VanDerWaalsContact O-N 3.1Å; T14-D17 WeakPolarHBondContact CB-OD2 3.46Å; T14-D17 WeakPolarHBondContact CG2-OD1 3.45Å; T14-D17 WeakPolarHBondContact CG2-OD2 3.39Å; T14-D17 PolarHBondContact O-N 3.14Å; T14-D17 VanDerWaalsContact O-N 3.08Å; T14-Y18 WeakPolarHBondContact O-CD2 3.2Å
15	F	93	Very high	93.6	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-55.4	-31.7	-173.8	176.2	-121	0	0	0	114.4	A10 Y13 D17 I20 P39 A58 N63 A65	A10-F15 HydrophobicContact CB-CB 3.93Å; A10-F15 HydrophobicContact CB-CD2 3.43Å; A10-F15 VanDerWaalsContact CB-CD2 3.43Å; A10-F15 HydrophobicContact CB-CE2 4.22Å; A10-F15 HydrophobicContact CB-CG 3.97Å; Y13-F15 HydrophobicContact CE2-CD2 4.36Å; Y13-F15 PolarHBondContact O-N 2.76Å; Y13-F15 VanDerWaalsContact O-N 3.12Å; F15-D17 VanDerWaalsContact C-N 3.27Å; F15-D17 PolarHBondContact O-N 3.24Å; F15-I20 HydrophobicContact CD2-CD1 4.4Å; F15-I20 HydrophobicContact CE2-CD1 4.06Å; F15-I20 HydrophobicContact CE2-CG1 3.79Å; F15-P39 HydrophobicContact CD1-CB 3.85Å; F15-P39 HydrophobicContact CD1-CG 4.21Å; F15-P39 HydrophobicContact CD2-CG 4.21Å; F15-P39 HydrophobicContact CE1-CB 3.48Å; F15-P39 VanDerWaalsContact CE1-CB 3.48Å; F15-P39 HydrophobicContact CE1-CG 3.74Å; F15-P39 HydrophobicContact CE2-CB 4.41Å; F15-P39 HydrophobicContact CE2-CG 3.75Å; F15-P39 HydrophobicContact CG-CB 4.46Å; F15-P39 HydrophobicContact CG-CG 4.45Å; F15-P39 HydrophobicContact CZ-CB 3.8Å; F15-P39 HydrophobicContact CZ-CG 3.48Å; F15-P39 VanDerWaalsContact CZ-CG 3.48Å; F15-A58 HydrophobicContact CE1-CB 4.12Å; F15-A58 HydrophobicContact CZ-CB 4.12Å; F15-N63 HydrophobicContact CB-CB 3.92Å; F15-N63 WeakPolarHBondContact CB-OD1 3.36Å; F15-N63 HydrophobicContact CD1-CB 4.18Å; F15-N63 HydrophobicContact CG-CB 4.08Å; F15-A65 HydrophobicContact CE2-CB 4.15Å; F15-A65 HydrophobicContact CZ-CB 3.9Å
16	T	93.5	Very high	93.4	Very high	42 Å²	42	43.6 Å²	43.6	26%	0.258	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-72.9	-16.5	-178.4	49.9	0	0	0	0	114.5	T14 Y38 G40 K60	T14-T16 WeakPolarHBondContact CG2-OG1 3.26Å; T14-T16 PolarHBondContact O-N 3.3Å; T14-T16 VanDerWaalsContact O-N 3.1Å; T16-Y38 VanDerWaalsContact O-CE2 3.24Å; T16-Y38 WeakPolarHBondContact O-CE2 3.38Å; T16-G40 WeakPolarHBondContact O-CA 3.32Å; T16-G40 PolarHBondContact O-N 2.87Å; T16-K60 HydrophobicContact CG2-CG 4.39Å
17	D	91.3	Very high	93	Very high	75 Å²	75	48.7 Å²	48.7	40%	0.401	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-95.4	2.4	-172.4	-55.3	-2.9	0	0	0	111.9	T14 F15	T14-D17 WeakPolarHBondContact CB-OD2 3.46Å; T14-D17 WeakPolarHBondContact CG2-OD1 3.45Å; T14-D17 WeakPolarHBondContact CG2-OD2 3.39Å; T14-D17 PolarHBondContact O-N 3.14Å; T14-D17 VanDerWaalsContact O-N 3.08Å; F15-D17 VanDerWaalsContact C-N 3.27Å; F15-D17 PolarHBondContact O-N 3.24Å
18	Y	91.4	Very high	92.6	Very high	60 Å²	60	49 Å²	49	24%	0.235	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.2	-174.5	-72.3	-100.7	0	0	0	111.1	Y13 T14 P39 R84 S85	Y13-Y18 AromaticContact CD2-CD2 3.43Å; Y13-Y18 HydrophobicContact CD2-CD2 3.43Å; Y13-Y18 VanDerWaalsContact CD2-CD2 3.43Å; Y13-Y18 AromaticContact CD2-CE2 3.75Å; Y13-Y18 HydrophobicContact CD2-CE2 3.75Å; Y13-Y18 AromaticContact CD2-CG 3.95Å; Y13-Y18 HydrophobicContact CD2-CG 3.95Å; Y13-Y18 AromaticContact CE2-CD2 3.95Å; Y13-Y18 HydrophobicContact CE2-CD2 3.95Å; Y13-Y18 HydrophobicContact CE2-CG 4.04Å; Y13-Y18 HydrophobicContact CG-CD2 4.38Å; Y13-Y18 HydrophobicContact CG-CE2 4.28Å; T14-Y18 WeakPolarHBondContact O-CD2 3.2Å; Y18-P39 WeakPolarHBondContact O-CD 3.06Å; Y18-R84 HydrophobicContact CD1-CB 4.4Å; Y18-R84 HydrophobicContact CD1-CG 4.37Å; Y18-S85 WeakPolarHBondContact CA-O 3.2Å
19	V	93.3	Very high	92.4	Very high	22 Å²	22	53.6 Å²	53.6	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.7	166.9	178.2	0	0	0	0	108.6	E36 Y38 R84 S85	V19-E36 HydrophobicContact CG1-CB 3.69Å; V19-E36 HydrophobicContact CG1-CG 3.72Å; V19-Y38 HydrophobicContact CG2-CD2 3.87Å; V19-Y38 HydrophobicContact CG2-CG 4.35Å; V19-R84 WeakPolarHBondContact O-CA 3.31Å; V19-S85 PolarHBondContact N-O 3.25Å; V19-S85 PolarHBondContact O-N 3.41Å; V19-S85 VanDerWaalsContact O-N 3.09Å
20	I	95.1	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114.6	175.2	-50	-61.4	0	0	0	108.7	F15 E36 I37 P39 A65 A83 R84	F15-I20 HydrophobicContact CD2-CD1 4.4Å; F15-I20 HydrophobicContact CE2-CD1 4.06Å; F15-I20 HydrophobicContact CE2-CG1 3.79Å; I20-E36 CarbonylContact O-C 3.52Å; I20-E36 VanDerWaalsContact O-CA 3.23Å; I20-E36 WeakPolarHBondContact O-CA 3.2Å; I20-E36 WeakPolarHBondContact O-CB 2.9Å; I20-I37 HydrophobicContact CB-CG2 4.1Å; I20-I37 PolarHBondContact N-O 3.22Å; I20-I37 PolarHBondContact O-N 2.79Å; I20-P39 HydrophobicContact CG1-CG 3.99Å; I20-A65 HydrophobicContact CB-CB 4.19Å; I20-A65 HydrophobicContact CG1-CB 4.21Å; I20-A65 HydrophobicContact CG2-CB 3.85Å; I20-A83 WeakPolarHBondContact CA-O 3.27Å; I20-R84 HydrophobicContact CD1-CB 3.85Å
21	S	95.8	Very high	92.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.1	-178.8	-46.8	0	0	0	0	110.8	G35 E36 Y82 A83 F92	S21-G35 WeakPolarHBondContact CA-O 3.44Å; S21-E36 VanDerWaalsContact OG-CB 3.24Å; S21-E36 WeakPolarHBondContact OG-CB 3.44Å; S21-E36 PolarHBondContact OG-OE2 2.82Å; S21-Y82 CarbonylContact O-C 3.6Å; S21-Y82 VanDerWaalsContact O-CA 3.26Å; S21-Y82 WeakPolarHBondContact O-CA 3.34Å; S21-A83 PolarHBondContact N-O 2.78Å; S21-A83 PolarHBondContact O-N 2.75Å; S21-F92 VanDerWaalsContact CB-CE1 3.46Å; S21-F92 WeakPolarHBondContact OG-CE1 3.45Å
22	W	97.4	Very high	92.8	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.015	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.9	-179.1	-67	88.6	0	0	0	110	M6 C8 I34 G35 L56 A65 M67 F81	M6-W22 HydrophobicContact CB-CH2 4.3Å; M6-W22 HydrophobicContact CB-CZ3 4.17Å; C8-W22 HydrophobicContact CB-CH2 3.94Å; C8-W22 HydrophobicContact CB-CZ2 4.05Å; W22-I34 HydrophobicContact CB-CB 4.19Å; W22-I34 HydrophobicContact CB-CD1 4.27Å; W22-I34 WeakPolarHBondContact O-CB 3.17Å; W22-I34 PolarHBondContact O-N 2.91Å; W22-G35 PolarHBondContact N-O 3.13Å; W22-L56 HydrophobicContact CG-CD2 4.13Å; W22-A65 HydrophobicContact CZ2-CB 4.4Å; W22-M67 HydrophobicContact CB-SD 3.83Å; W22-M67 HydrophobicContact CD2-CB 3.6Å; W22-M67 HydrophobicContact CD2-CE 4.46Å; W22-M67 HydrophobicContact CD2-CG 4.41Å; W22-M67 HydrophobicContact CD2-SD 4.11Å; W22-M67 HydrophobicContact CE3-CB 3.91Å; W22-M67 HydrophobicContact CE3-CE 3.91Å; W22-M67 HydrophobicContact CE3-SD 4.14Å; W22-M67 HydrophobicContact CG-CB 4.04Å; W22-M67 HydrophobicContact CG-CG 4.48Å; W22-M67 HydrophobicContact CG-SD 4Å; W22-M67 HydrophobicContact CH2-CB 4.23Å; W22-M67 HydrophobicContact CZ2-CB 3.96Å; W22-M67 HydrophobicContact CZ3-CB 4.2Å; W22-M67 HydrophobicContact CZ3-CE 4.42Å; W22-F81 WeakPolarHBondContact CA-O 2.93Å
23	V	97	Very high	93.2	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.5	-173	-176.4	0	0	0	0	109.5	L31 E32 Y80 F81 W95	V23-L31 HydrophobicContact CG1-CB 3.81Å; V23-L31 HydrophobicContact CG1-CD2 3.98Å; V23-L31 HydrophobicContact CG1-CG 4.35Å; V23-E32 WeakPolarHBondContact CA-O 3.24Å; V23-Y80 CarbonylContact O-C 3.39Å; V23-Y80 WeakPolarHBondContact O-CA 3.48Å; V23-F81 HydrophobicContact CB-CB 4.49Å; V23-F81 PolarHBondContact N-O 2.92Å; V23-F81 PolarHBondContact O-N 2.76Å; V23-W95 HydrophobicContact CB-CH2 4.13Å; V23-W95 HydrophobicContact CB-CZ3 3.86Å; V23-W95 HydrophobicContact CG1-CH2 4.11Å; V23-W95 HydrophobicContact CG1-CZ3 4.05Å; V23-W95 HydrophobicContact CG2-CH2 3.73Å; V23-W95 HydrophobicContact CG2-CZ3 3.86Å
24	K	96.6	Very high	93.6	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.8	175.3	-179.1	179.3	-179.1	175.8	0	109.7	E32 I34 F50 E75 D76 A78 Y80	K24-E32 HydrophobicContact CB-CB 4.37Å; K24-E32 PolarHBondContact N-O 2.76Å; K24-E32 PolarHBondContact O-N 3.01Å; K24-I34 HydrophobicContact CB-CD1 4.04Å; K24-I34 HydrophobicContact CB-CG1 4.18Å; K24-F50 HydrophobicContact CD-CE1 4.01Å; K24-F50 HydrophobicContact CD-CZ 4.01Å; K24-E75 WeakPolarHBondContact CE-O 3.41Å; K24-E75 PolarHBondContact NZ-O 2.95Å; K24-D76 IonicContact NZ-OD1 3.43Å; K24-D76 PolarHBondContact NZ-OD1 2.83Å; K24-A78 HydrophobicContact CD-CB 4.19Å; K24-A78 HydrophobicContact CG-CB 3.55Å; K24-Y80 HydrophobicContact CB-CD1 4.05Å; K24-Y80 HydrophobicContact CB-CE1 3.82Å; K24-Y80 HydrophobicContact CD-CE1 3.9Å; K24-Y80 WeakPolarHBondContact CE-OH 3.3Å; K24-Y80 HydrophobicContact CG-CD1 4.26Å; K24-Y80 HydrophobicContact CG-CE1 3.72Å
25	Q	96.3	Very high	93.9	Very high	74 Å²	74	43.4 Å²	43.4	35%	0.346	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.1	170	-167.2	179.9	25.2	0	0	109.8	L31 A78 V79 F81	Q25-L31 HydrophobicContact CB-CD2 3.82Å; Q25-L31 HydrophobicContact CG-CD2 3.89Å; Q25-A78 WeakPolarHBondContact O-CA 3.42Å; Q25-A78 VanDerWaalsContact O-CB 3.28Å; Q25-A78 WeakPolarHBondContact O-CB 3.18Å; Q25-V79 PolarHBondContact N-O 3.29Å; Q25-V79 PolarHBondContact O-N 3.08Å; Q25-F81 HydrophobicContact CB-CD2 4.39Å; Q25-F81 HydrophobicContact CB-CE2 3.76Å
26	R	93.4	Very high	94	Very high	54 Å²	54	45.6 Å²	45.6	20%	0.204	26%	0.262	C	S	.	.			trans	-85	146.3	167.4	-62.2	-166.1	-166.6	93.6	-1.4	109.7	G28 Q29 E32 E75 A78	R26-G28 PolarHBondContact O-N 2.88Å; R26-Q29 HydrophobicContact CB-CB 4.03Å; R26-Q29 HydrophobicContact CB-CG 4.03Å; R26-Q29 PolarHBondContact O-N 2.79Å; R26-E32 IonicContact CZ-OE1 3.57Å; R26-E32 IonicContact NH1-OE1 2.76Å; R26-E32 PolarHBondContact NH1-OE1 2.78Å; R26-E32 IonicContact NH2-OE1 3.95Å; R26-E75 PolarHBondContact NE-O 2.9Å; R26-E75 PolarHBondContact NH2-O 3.12Å; R26-A78 HydrophobicContact CG-CB 4.19Å
27	T	86.6	Confident	94.1	Very high	125 Å²	125	43.8 Å²	43.8	77%	0.767	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	125.6	174.1	-50	0	0	0	0	110.2	Q29	T27-Q29 VanDerWaalsContact C-N 3.26Å; T27-Q29 PolarHBondContact O-N 2.87Å
28	G	88.3	Confident	94.3	Very high	87 Å²	87	43 Å²	43	90%	0.897	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	5.4	-178.4	0	0	0	0	0	115.4	R26	R26-G28 PolarHBondContact O-N 2.88Å
29	Q	90.3	Very high	94.5	Very high	98 Å²	98	40.1 Å²	40.1	46%	0.458	23%	0.231	S	C	.	.	S	Bend	trans	-117.6	163.4	174.4	-56.3	-175.9	10.7	0	0	111.1	R26 T27	R26-Q29 HydrophobicContact CB-CB 4.03Å; R26-Q29 HydrophobicContact CB-CG 4.03Å; R26-Q29 PolarHBondContact O-N 2.79Å; T27-Q29 VanDerWaalsContact C-N 3.26Å; T27-Q29 PolarHBondContact O-N 2.87Å
30	G	91.4	Very high	94.5	Very high	55 Å²	55	40.3 Å²	40.3	57%	0.567	24%	0.237	S	C	*	.			trans	-68.8	174.4	174.4	0	0	0	0	0	113.2
31	L	94.5	Very high	94.5	Very high	97 Å²	97	43.7 Å²	43.7	51%	0.508	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.7	171.4	-63.8	175.9	0	0	0	110.1	V23 Q25 W95	V23-L31 HydrophobicContact CG1-CB 3.81Å; V23-L31 HydrophobicContact CG1-CD2 3.98Å; V23-L31 HydrophobicContact CG1-CG 4.35Å; Q25-L31 HydrophobicContact CB-CD2 3.82Å; Q25-L31 HydrophobicContact CG-CD2 3.89Å; L31-W95 HydrophobicContact CD1-CH2 4.01Å; L31-W95 HydrophobicContact CD1-CZ3 4.46Å
32	E	95.9	Very high	94.4	Very high	31 Å²	31	45.8 Å²	45.8	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	110.5	173.6	-63.8	-166.3	-101.9	0	0	109.2	V23 K24 R26 I34 K49 F50	V23-E32 WeakPolarHBondContact CA-O 3.24Å; K24-E32 HydrophobicContact CB-CB 4.37Å; K24-E32 PolarHBondContact N-O 2.76Å; K24-E32 PolarHBondContact O-N 3.01Å; R26-E32 IonicContact CZ-OE1 3.57Å; R26-E32 IonicContact NH1-OE1 2.76Å; R26-E32 PolarHBondContact NH1-OE1 2.78Å; R26-E32 IonicContact NH2-OE1 3.95Å; E32-I34 PolarHBondContact O-N 3.08Å; E32-K49 IonicContact OE2-NZ 3.13Å; E32-K49 PolarHBondContact OE2-NZ 2.93Å; E32-K49 VanDerWaalsContact OE2-NZ 3.13Å; E32-F50 HydrophobicContact CB-CE2 4.34Å; E32-F50 HydrophobicContact CB-CZ 4.33Å
33	W	96	Very high	94.3	Very high	80 Å²	80	48.2 Å²	48.2	30%	0.303	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.6	173.1	-179.8	84	0	0	0	110.2	G35 E36 N47	W33-G35 VanDerWaalsContact CZ2-CA 3.43Å; W33-E36 HydrophobicContact CZ2-CB 4.06Å; W33-E36 HydrophobicContact CZ2-CG 3.84Å; W33-N47 HydrophobicContact CE3-CB 3.74Å; W33-N47 HydrophobicContact CZ3-CB 3.91Å; W33-N47 VanDerWaalsContact CZ3-N 3.32Å; W33-N47 WeakPolarHBondContact O-CB 3.26Å; W33-N47 PolarHBondContact O-ND2 3.38Å
34	I	97.3	Very high	94.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-45.7	-177.2	-62.5	173.9	0	0	0	110.2	W22 K24 E32 N47 F50 A54 M67 Y80	W22-I34 HydrophobicContact CB-CB 4.19Å; W22-I34 HydrophobicContact CB-CD1 4.27Å; W22-I34 WeakPolarHBondContact O-CB 3.17Å; W22-I34 PolarHBondContact O-N 2.91Å; K24-I34 HydrophobicContact CB-CD1 4.04Å; K24-I34 HydrophobicContact CB-CG1 4.18Å; E32-I34 PolarHBondContact O-N 3.08Å; I34-N47 WeakPolarHBondContact O-CB 3.38Å; I34-N47 PolarHBondContact O-N 2.85Å; I34-F50 HydrophobicContact CB-CD1 4.48Å; I34-F50 HydrophobicContact CB-CD2 4.32Å; I34-F50 HydrophobicContact CB-CG 4.21Å; I34-F50 HydrophobicContact CG1-CD1 4.08Å; I34-F50 HydrophobicContact CG1-CD2 4.27Å; I34-F50 HydrophobicContact CG1-CE1 3.99Å; I34-F50 HydrophobicContact CG1-CE2 4.16Å; I34-F50 HydrophobicContact CG1-CG 4.22Å; I34-F50 HydrophobicContact CG1-CZ 4.02Å; I34-F50 HydrophobicContact CG2-CB 3.79Å; I34-F50 HydrophobicContact CG2-CD1 4.05Å; I34-F50 HydrophobicContact CG2-CD2 4.4Å; I34-F50 HydrophobicContact CG2-CG 3.83Å; I34-A54 HydrophobicContact CG2-CB 3.68Å; I34-M67 HydrophobicContact CD1-CE 4.15Å; I34-M67 HydrophobicContact CD1-SD 3.52Å; I34-M67 VanDerWaalsContact CD1-SD 3.52Å; I34-M67 HydrophobicContact CG2-SD 4.07Å; I34-Y80 HydrophobicContact CD1-CD1 3.7Å; I34-Y80 HydrophobicContact CD1-CE1 3.78Å
35	G	96.7	Very high	94.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.6	178.1	-170.9	0	0	0	0	0	110.9	S21 W22 W33 Y45	S21-G35 WeakPolarHBondContact CA-O 3.44Å; W22-G35 PolarHBondContact N-O 3.13Å; W33-G35 VanDerWaalsContact CZ2-CA 3.43Å; G35-Y45 CarbonylContact C-O 3.54Å; G35-Y45 WeakPolarHBondContact CA-O 3.41Å
36	E	96.2	Very high	94.3	Very high	48 Å²	48	56.7 Å²	56.7	22%	0.224	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.7	178.2	70.7	-164.1	-168.9	0	0	112.5	V19 I20 S21 W33 T44 Y45 L56	V19-E36 HydrophobicContact CG1-CB 3.69Å; V19-E36 HydrophobicContact CG1-CG 3.72Å; I20-E36 CarbonylContact O-C 3.52Å; I20-E36 VanDerWaalsContact O-CA 3.23Å; I20-E36 WeakPolarHBondContact O-CA 3.2Å; I20-E36 WeakPolarHBondContact O-CB 2.9Å; S21-E36 VanDerWaalsContact OG-CB 3.24Å; S21-E36 WeakPolarHBondContact OG-CB 3.44Å; S21-E36 PolarHBondContact OG-OE2 2.82Å; W33-E36 HydrophobicContact CZ2-CB 4.06Å; W33-E36 HydrophobicContact CZ2-CG 3.84Å; E36-T44 VanDerWaalsContact O-CA 3.27Å; E36-T44 WeakPolarHBondContact O-CA 3.2Å; E36-Y45 HydrophobicContact CG-CD2 4.29Å; E36-Y45 PolarHBondContact N-O 3.39Å; E36-Y45 PolarHBondContact O-N 3.33Å; E36-L56 VanDerWaalsContact N-CD1 3.32Å
37	I	96.1	Very high	94.5	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.2	175.1	-176.1	164.7	0	0	0	109.1	I20 P39 S43 T44 L56 A58 A65	I20-I37 HydrophobicContact CB-CG2 4.1Å; I20-I37 PolarHBondContact N-O 3.22Å; I20-I37 PolarHBondContact O-N 2.79Å; I37-P39 WeakPolarHBondContact O-CD 3.28Å; I37-S43 WeakPolarHBondContact CA-O 3.45Å; I37-T44 HydrophobicContact CB-CG2 3.99Å; I37-T44 HydrophobicContact CD1-CG2 3.91Å; I37-T44 HydrophobicContact CG1-CG2 3.82Å; I37-L56 HydrophobicContact CB-CB 4.23Å; I37-A58 HydrophobicContact CD1-CB 3.72Å; I37-A58 HydrophobicContact CG1-CB 4.4Å; I37-A65 HydrophobicContact CG2-CB 4.43Å
38	Y	95.3	Very high	94.9	Very high	57 Å²	57	56.6 Å²	56.6	22%	0.224	33%	0.331	C	S	.	.			trans	-94.1	105.1	166.9	-174.7	-138.5	0	0	0	108.5	T16 V19 G40 S41 G42 S43 D87	T16-Y38 VanDerWaalsContact O-CE2 3.24Å; T16-Y38 WeakPolarHBondContact O-CE2 3.38Å; V19-Y38 HydrophobicContact CG2-CD2 3.87Å; V19-Y38 HydrophobicContact CG2-CG 4.35Å; Y38-G40 PolarHBondContact O-N 2.64Å; Y38-S41 VanDerWaalsContact CD1-OG 3.27Å; Y38-S41 WeakPolarHBondContact CD1-OG 3.47Å; Y38-S41 PolarHBondContact O-N 2.95Å; Y38-G42 VanDerWaalsContact O-CA 3.31Å; Y38-G42 WeakPolarHBondContact O-CA 3.42Å; Y38-G42 PolarHBondContact O-N 3.42Å; Y38-S43 PolarHBondContact N-O 2.86Å; Y38-D87 PolarHBondContact OH-OD2 2.92Å
39	P	95.3	Very high	95.1	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.2	-175.3	-22.5	36	0	0	0	112.4	F15 Y18 I20 I37 A58 K60	F15-P39 HydrophobicContact CD1-CB 3.85Å; F15-P39 HydrophobicContact CD1-CG 4.21Å; F15-P39 HydrophobicContact CD2-CG 4.21Å; F15-P39 HydrophobicContact CE1-CB 3.48Å; F15-P39 VanDerWaalsContact CE1-CB 3.48Å; F15-P39 HydrophobicContact CE1-CG 3.74Å; F15-P39 HydrophobicContact CE2-CB 4.41Å; F15-P39 HydrophobicContact CE2-CG 3.75Å; F15-P39 HydrophobicContact CG-CB 4.46Å; F15-P39 HydrophobicContact CG-CG 4.45Å; F15-P39 HydrophobicContact CZ-CB 3.8Å; F15-P39 HydrophobicContact CZ-CG 3.48Å; F15-P39 VanDerWaalsContact CZ-CG 3.48Å; Y18-P39 WeakPolarHBondContact O-CD 3.06Å; I20-P39 HydrophobicContact CG1-CG 3.99Å; I37-P39 WeakPolarHBondContact O-CD 3.28Å; P39-A58 HydrophobicContact CB-CB 3.94Å; P39-A58 HydrophobicContact CG-CB 4.27Å; P39-K60 WeakPolarHBondContact O-CE 3.19Å; P39-K60 PolarHBondContact O-NZ 3.42Å
40	G	93.8	Very high	95.4	Very high	26 Å²	26	55.3 Å²	55.3	27%	0.268	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-55.9	177.5	0	0	0	0	0	112.8	T16 Y38 K60	T16-G40 WeakPolarHBondContact O-CA 3.32Å; T16-G40 PolarHBondContact O-N 2.87Å; Y38-G40 PolarHBondContact O-N 2.64Å; G40-K60 PolarHBondContact O-NZ 2.86Å
41	S	94.1	Very high	95.5	Very high	70 Å²	70	58.4 Å²	58.4	49%	0.49	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-22.5	179.9	70.1	0	0	0	0	114.5	Y38 S43	Y38-S41 VanDerWaalsContact CD1-OG 3.27Å; Y38-S41 WeakPolarHBondContact CD1-OG 3.47Å; Y38-S41 PolarHBondContact O-N 2.95Å; S41-S43 VanDerWaalsContact C-N 3.26Å; S41-S43 WeakPolarHBondContact OG-CB 3.39Å; S41-S43 PolarHBondContact OG-N 2.87Å; S41-S43 PolarHBondContact OG-OG 3.43Å
42	G	94.3	Very high	95.4	Very high	45 Å²	45	57.6 Å²	57.6	46%	0.464	31%	0.312	S	S	.	.			trans	78.9	5.4	-167.5	0	0	0	0	0	114.1	Y38	Y38-G42 VanDerWaalsContact O-CA 3.31Å; Y38-G42 WeakPolarHBondContact O-CA 3.42Å; Y38-G42 PolarHBondContact O-N 3.42Å
43	S	95.2	Very high	95.4	Very high	54 Å²	54	58.3 Å²	58.3	38%	0.378	31%	0.314	S	S	.	.			trans	-64.8	141.1	177.8	-60.5	0	0	0	0	110.7	I37 Y38 S41	I37-S43 WeakPolarHBondContact CA-O 3.45Å; Y38-S43 PolarHBondContact N-O 2.86Å; S41-S43 VanDerWaalsContact C-N 3.26Å; S41-S43 WeakPolarHBondContact OG-CB 3.39Å; S41-S43 PolarHBondContact OG-N 2.87Å; S41-S43 PolarHBondContact OG-OG 3.43Å
44	T	96.9	Very high	95.5	Very high	53 Å²	53	54.7 Å²	54.7	33%	0.325	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.4	177.7	52.8	0	0	0	0	110.7	E36 I37 Y46 L56	E36-T44 VanDerWaalsContact O-CA 3.27Å; E36-T44 WeakPolarHBondContact O-CA 3.2Å; I37-T44 HydrophobicContact CB-CG2 3.99Å; I37-T44 HydrophobicContact CD1-CG2 3.91Å; I37-T44 HydrophobicContact CG1-CG2 3.82Å; T44-Y46 WeakPolarHBondContact OG1-CE2 3.13Å; T44-L56 HydrophobicContact CG2-CB 4.04Å
45	Y	96.1	Very high	95.5	Very high	145 Å²	145	57.8 Å²	57.8	57%	0.569	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.8	172	-62.2	-88.2	0	0	0	108.7	G35 E36	G35-Y45 CarbonylContact C-O 3.54Å; G35-Y45 WeakPolarHBondContact CA-O 3.41Å; E36-Y45 HydrophobicContact CG-CD2 4.29Å; E36-Y45 PolarHBondContact N-O 3.39Å; E36-Y45 PolarHBondContact O-N 3.33Å
46	Y	97.3	Very high	95.6	Very high	61 Å²	61	58.2 Å²	58.2	24%	0.239	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.8	-175.9	-65.8	-90.5	0	0	0	110.2	T44 A54 L56	T44-Y46 WeakPolarHBondContact OG1-CE2 3.13Å; Y46-A54 HydrophobicContact CE1-CB 4.43Å; Y46-A54 VanDerWaalsContact CE1-O 3.28Å; Y46-A54 WeakPolarHBondContact CE1-O 3Å; Y46-L56 HydrophobicContact CE1-CB 4.46Å; Y46-L56 HydrophobicContact CE1-CD1 4.06Å; Y46-L56 HydrophobicContact CE1-CG 3.7Å; Y46-L56 PolarHBondContact OH-N 2.92Å
47	N	96.3	Very high	95.7	Very high	45 Å²	45	58.8 Å²	58.8	24%	0.241	33%	0.33	C	S	.	.			trans	-70.9	134	157.3	-176.2	-30.6	0	0	0	108.5	W33 I34 K49 F50 K51	W33-N47 HydrophobicContact CE3-CB 3.74Å; W33-N47 HydrophobicContact CZ3-CB 3.91Å; W33-N47 VanDerWaalsContact CZ3-N 3.32Å; W33-N47 WeakPolarHBondContact O-CB 3.26Å; W33-N47 PolarHBondContact O-ND2 3.38Å; I34-N47 WeakPolarHBondContact O-CB 3.38Å; I34-N47 PolarHBondContact O-N 2.85Å; N47-K49 PolarHBondContact O-N 3.28Å; N47-K49 VanDerWaalsContact O-N 3.08Å; N47-K49 PolarHBondContact OD1-N 2.94Å; N47-F50 HydrophobicContact CB-CD2 4.01Å; N47-F50 PolarHBondContact O-N 2.95Å; N47-K51 PolarHBondContact O-N 3.09Å
48	E	95.5	Very high	95.8	Very high	132 Å²	132	60.3 Å²	60.3	62%	0.617	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-54.7	-31.1	-178.7	-69.4	-61.4	141	0	0	112.7	F50 K51	E48-F50 PolarHBondContact O-N 2.84Å; E48-K51 PolarHBondContact O-N 2.83Å; E48-K51 IonicContact OE1-NZ 2.81Å; E48-K51 PolarHBondContact OE1-NZ 3.07Å; E48-K51 WeakPolarHBondContact OE2-CD 3.24Å; E48-K51 IonicContact OE2-NZ 3.16Å; E48-K51 PolarHBondContact OE2-NZ 3.08Å; E48-K51 VanDerWaalsContact OE2-NZ 3.16Å
49	K	93.4	Very high	95.8	Very high	149 Å²	149	60.1 Å²	60.1	65%	0.648	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.9	-28.8	175.2	-66.9	-172.2	-175.9	-179.5	0	114.3	E32 N47	E32-K49 IonicContact OE2-NZ 3.13Å; E32-K49 PolarHBondContact OE2-NZ 2.93Å; E32-K49 VanDerWaalsContact OE2-NZ 3.13Å; N47-K49 PolarHBondContact O-N 3.28Å; N47-K49 VanDerWaalsContact O-N 3.08Å; N47-K49 PolarHBondContact OD1-N 2.94Å
50	F	95.4	Very high	95.8	Very high	9 Å²	9	65.5 Å²	65.5	4%	0.039	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-107.7	-3.9	-174.5	-64.8	-86.7	0	0	0	112.7	K24 E32 I34 N47 E48 G52 K53 A54	K24-F50 HydrophobicContact CD-CE1 4.01Å; K24-F50 HydrophobicContact CD-CZ 4.01Å; E32-F50 HydrophobicContact CB-CE2 4.34Å; E32-F50 HydrophobicContact CB-CZ 4.33Å; I34-F50 HydrophobicContact CB-CD1 4.48Å; I34-F50 HydrophobicContact CB-CD2 4.32Å; I34-F50 HydrophobicContact CB-CG 4.21Å; I34-F50 HydrophobicContact CG1-CD1 4.08Å; I34-F50 HydrophobicContact CG1-CD2 4.27Å; I34-F50 HydrophobicContact CG1-CE1 3.99Å; I34-F50 HydrophobicContact CG1-CE2 4.16Å; I34-F50 HydrophobicContact CG1-CG 4.22Å; I34-F50 HydrophobicContact CG1-CZ 4.02Å; I34-F50 HydrophobicContact CG2-CB 3.79Å; I34-F50 HydrophobicContact CG2-CD1 4.05Å; I34-F50 HydrophobicContact CG2-CD2 4.4Å; I34-F50 HydrophobicContact CG2-CG 3.83Å; N47-F50 HydrophobicContact CB-CD2 4.01Å; N47-F50 PolarHBondContact O-N 2.95Å; E48-F50 PolarHBondContact O-N 2.84Å; F50-G52 PolarHBondContact O-N 3.43Å; F50-K53 PolarHBondContact O-N 2.99Å; F50-A54 HydrophobicContact CB-CB 4.32Å; F50-A54 PolarHBondContact O-N 2.91Å
51	K	93.9	Very high	95.8	Very high	120 Å²	120	69.3 Å²	69.3	52%	0.522	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-60.7	125.4	175.6	-160.9	174.7	-170	171	0	109.7	N47 E48 K53	N47-K51 PolarHBondContact O-N 3.09Å; E48-K51 PolarHBondContact O-N 2.83Å; E48-K51 IonicContact OE1-NZ 2.81Å; E48-K51 PolarHBondContact OE1-NZ 3.07Å; E48-K51 WeakPolarHBondContact OE2-CD 3.24Å; E48-K51 IonicContact OE2-NZ 3.16Å; E48-K51 PolarHBondContact OE2-NZ 3.08Å; E48-K51 VanDerWaalsContact OE2-NZ 3.16Å; K51-K53 PolarHBondContact O-N 2.82Å
52	G	93.3	Very high	95.9	Very high	80 Å²	80	67.8 Å²	67.8	83%	0.825	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	81	-13.2	-174.4	0	0	0	0	0	115.1	F50	F50-G52 PolarHBondContact O-N 3.43Å
53	K	95.6	Very high	96	Very high	46 Å²	46	68.8 Å²	68.8	20%	0.2	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-41.1	172.7	-171.5	158.2	-170.6	171.8	0	112.4	F50 K51 L69 S70 D76	F50-K53 PolarHBondContact O-N 2.99Å; K51-K53 PolarHBondContact O-N 2.82Å; K53-L69 WeakPolarHBondContact O-CA 3.45Å; K53-S70 PolarHBondContact O-N 2.94Å; K53-D76 VanDerWaalsContact CE-CG 3.47Å; K53-D76 WeakPolarHBondContact CE-OD1 3.46Å; K53-D76 WeakPolarHBondContact CE-OD2 3.45Å; K53-D76 IonicContact NZ-OD1 2.85Å; K53-D76 PolarHBondContact NZ-OD1 2.85Å; K53-D76 IonicContact NZ-OD2 2.64Å; K53-D76 PolarHBondContact NZ-OD2 3.34Å
54	A	97.5	Very high	96.1	Very high	3 Å²	3	66.6 Å²	66.6	3%	0.025	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.3	176.9	0	0	0	0	0	111.1	I34 Y46 F50 Q68 L69	I34-A54 HydrophobicContact CG2-CB 3.68Å; Y46-A54 HydrophobicContact CE1-CB 4.43Å; Y46-A54 VanDerWaalsContact CE1-O 3.28Å; Y46-A54 WeakPolarHBondContact CE1-O 3Å; F50-A54 HydrophobicContact CB-CB 4.32Å; F50-A54 PolarHBondContact O-N 2.91Å; A54-Q68 CarbonylContact C-O 3.52Å; A54-Q68 WeakPolarHBondContact CA-O 3.38Å; A54-L69 HydrophobicContact CB-CD2 3.91Å
55	T	98.1	Very high	96.2	Very high	66 Å²	66	64 Å²	64	41%	0.405	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.6	168.4	-57.2	0	0	0	0	108.7	T57 M67 Q68	T55-T57 HydrophobicContact CG2-CG2 4.33Å; T55-M67 WeakPolarHBondContact O-CA 3.3Å; T55-Q68 PolarHBondContact N-O 2.82Å; T55-Q68 PolarHBondContact O-N 2.95Å
56	L	98.2	Very high	96.2	Very high	8 Å²	8	59.6 Å²	59.6	4%	0.042	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.8	179.3	-52.8	-176.2	0	0	0	110.5	W22 E36 I37 T44 Y46 Y66 M67	W22-L56 HydrophobicContact CG-CD2 4.13Å; E36-L56 VanDerWaalsContact N-CD1 3.32Å; I37-L56 HydrophobicContact CB-CB 4.23Å; T44-L56 HydrophobicContact CG2-CB 4.04Å; Y46-L56 HydrophobicContact CE1-CB 4.46Å; Y46-L56 HydrophobicContact CE1-CD1 4.06Å; Y46-L56 HydrophobicContact CE1-CG 3.7Å; Y46-L56 PolarHBondContact OH-N 2.92Å; L56-Y66 WeakPolarHBondContact CA-O 3.17Å; L56-M67 HydrophobicContact CD2-CB 3.74Å; L56-M67 HydrophobicContact CD2-CG 3.66Å; L56-M67 HydrophobicContact CD2-SD 4.42Å
57	T	97.9	Very high	96.3	Very high	61 Å²	61	56.7 Å²	56.7	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	159.4	178.5	55.3	0	0	0	0	110.8	T55 A65 Y66	T55-T57 HydrophobicContact CG2-CG2 4.33Å; T57-A65 CarbonylContact O-C 3.57Å; T57-Y66 PolarHBondContact N-O 2.86Å; T57-Y66 PolarHBondContact O-N 2.88Å
58	A	97.5	Very high	96.4	Very high	35 Å²	35	58.1 Å²	58.1	29%	0.289	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138.5	176.4	0	0	0	0	0	110.2	F15 I37 P39 T64	F15-A58 HydrophobicContact CE1-CB 4.12Å; F15-A58 HydrophobicContact CZ-CB 4.12Å; I37-A58 HydrophobicContact CD1-CB 3.72Å; I37-A58 HydrophobicContact CG1-CB 4.4Å; P39-A58 HydrophobicContact CB-CB 3.94Å; P39-A58 HydrophobicContact CG-CB 4.27Å; A58-T64 WeakPolarHBondContact CA-O 3.44Å
59	D	96.9	Very high	96.5	Very high	53 Å²	53	51.9 Å²	51.9	28%	0.283	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	109.1	170.8	175.7	7.4	0	0	0	109	S61 S62 N63 T64 Y66	D59-S61 VanDerWaalsContact C-N 3.29Å; D59-S61 PolarHBondContact O-N 3.4Å; D59-S61 WeakPolarHBondContact OD1-CB 3.36Å; D59-S61 PolarHBondContact OD1-N 2.99Å; D59-S61 PolarHBondContact OD1-OG 2.91Å; D59-S61 PolarHBondContact OD2-OG 3.17Å; D59-S62 WeakPolarHBondContact CB-OG 3.23Å; D59-S62 PolarHBondContact OD1-N 2.89Å; D59-S62 WeakPolarHBondContact OD2-CB 3.23Å; D59-S62 PolarHBondContact OD2-OG 2.95Å; D59-N63 WeakPolarHBondContact O-CA 3.37Å; D59-N63 PolarHBondContact O-N 3.31Å; D59-T64 PolarHBondContact N-O 3Å; D59-T64 PolarHBondContact O-N 2.8Å; D59-Y66 HydrophobicContact CB-CE2 4Å
60	K	95	Very high	96.6	Very high	114 Å²	114	46.2 Å²	46.2	50%	0.496	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.5	179.8	-63.1	176.6	174.7	-178.1	0	112.3	T16 P39 G40 N63	T16-K60 HydrophobicContact CG2-CG 4.39Å; P39-K60 WeakPolarHBondContact O-CE 3.19Å; P39-K60 PolarHBondContact O-NZ 3.42Å; G40-K60 PolarHBondContact O-NZ 2.86Å; K60-N63 PolarHBondContact O-OD1 2.81Å
61	S	94.4	Very high	96.5	Very high	107 Å²	107	49.4 Å²	49.4	75%	0.748	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-36.3	-177	72.1	0	0	0	0	112	D59	D59-S61 VanDerWaalsContact C-N 3.29Å; D59-S61 PolarHBondContact O-N 3.4Å; D59-S61 WeakPolarHBondContact OD1-CB 3.36Å; D59-S61 PolarHBondContact OD1-N 2.99Å; D59-S61 PolarHBondContact OD1-OG 2.91Å; D59-S61 PolarHBondContact OD2-OG 3.17Å
62	S	96.3	Very high	96.6	Very high	37 Å²	37	44.6 Å²	44.6	26%	0.259	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	3	178.4	65.8	0	0	0	0	113.6	D59 T64	D59-S62 WeakPolarHBondContact CB-OG 3.23Å; D59-S62 PolarHBondContact OD1-N 2.89Å; D59-S62 WeakPolarHBondContact OD2-CB 3.23Å; D59-S62 PolarHBondContact OD2-OG 2.95Å; S62-T64 PolarHBondContact O-N 3.27Å; S62-T64 PolarHBondContact O-OG1 3.3Å; S62-T64 WeakPolarHBondContact OG-CB 3.34Å; S62-T64 PolarHBondContact OG-OG1 2.82Å
63	N	95.9	Very high	96.6	Very high	66 Å²	66	43.7 Å²	43.7	35%	0.353	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	43.6	-174.1	-68.1	-36.3	0	0	0	112.5	A10 F15 D59 K60	A10-N63 HydrophobicContact CB-CB 4.23Å; A10-N63 WeakPolarHBondContact CB-O 3.17Å; A10-N63 PolarHBondContact N-O 3.16Å; F15-N63 HydrophobicContact CB-CB 3.92Å; F15-N63 WeakPolarHBondContact CB-OD1 3.36Å; F15-N63 HydrophobicContact CD1-CB 4.18Å; F15-N63 HydrophobicContact CG-CB 4.08Å; D59-N63 WeakPolarHBondContact O-CA 3.37Å; D59-N63 PolarHBondContact O-N 3.31Å; K60-N63 PolarHBondContact O-OD1 2.81Å
64	T	97.4	Very high	96.4	Very high	8 Å²	8	46 Å²	46	5%	0.049	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.5	-172.5	-56.1	0	0	0	0	111.4	C8 A58 D59 S62 Y66	C8-T64 CarbonylContact O-C 3.54Å; C8-T64 VanDerWaalsContact O-CA 3.3Å; C8-T64 WeakPolarHBondContact O-CA 3.49Å; C8-T64 WeakPolarHBondContact O-CG2 3.49Å; A58-T64 WeakPolarHBondContact CA-O 3.44Å; D59-T64 PolarHBondContact N-O 3Å; D59-T64 PolarHBondContact O-N 2.8Å; S62-T64 PolarHBondContact O-N 3.27Å; S62-T64 PolarHBondContact O-OG1 3.3Å; S62-T64 WeakPolarHBondContact OG-CB 3.34Å; S62-T64 PolarHBondContact OG-OG1 2.82Å; T64-Y66 HydrophobicContact CG2-CD1 4.21Å; T64-Y66 HydrophobicContact CG2-CD2 4.32Å; T64-Y66 HydrophobicContact CG2-CE1 3.6Å; T64-Y66 HydrophobicContact CG2-CE2 3.71Å; T64-Y66 WeakPolarHBondContact CG2-OH 3.35Å; T64-Y66 WeakPolarHBondContact O-CE2 3.47Å
65	A	97.4	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	149.1	168.1	0	0	0	0	0	110	S7 C8 F15 I20 W22 I37 T57	S7-A65 CarbonylContact C-O 3.55Å; S7-A65 WeakPolarHBondContact CA-O 3.16Å; C8-A65 HydrophobicContact CB-CB 4.4Å; C8-A65 PolarHBondContact N-O 2.79Å; C8-A65 PolarHBondContact O-N 2.92Å; F15-A65 HydrophobicContact CE2-CB 4.15Å; F15-A65 HydrophobicContact CZ-CB 3.9Å; I20-A65 HydrophobicContact CB-CB 4.19Å; I20-A65 HydrophobicContact CG1-CB 4.21Å; I20-A65 HydrophobicContact CG2-CB 3.85Å; W22-A65 HydrophobicContact CZ2-CB 4.4Å; I37-A65 HydrophobicContact CG2-CB 4.43Å; T57-A65 CarbonylContact O-C 3.57Å
66	Y	98	Very high	95.8	Very high	52 Å²	52	49 Å²	49	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.6	178.5	-54.8	-89.5	0	0	0	111.5	K5 M6 S7 L56 T57 D59 T64	K5-Y66 HydrophobicContact CD-CD1 4.34Å; K5-Y66 VanDerWaalsContact CE-CB 3.49Å; K5-Y66 VanDerWaalsContact CE-CG 3.41Å; K5-Y66 HydrophobicContact CG-CD1 4.32Å; M6-Y66 CarbonylContact O-C 3.55Å; M6-Y66 WeakPolarHBondContact O-CA 3.28Å; S7-Y66 VanDerWaalsContact CB-CD1 3.49Å; S7-Y66 VanDerWaalsContact CB-CE1 3.47Å; L56-Y66 WeakPolarHBondContact CA-O 3.17Å; T57-Y66 PolarHBondContact N-O 2.86Å; T57-Y66 PolarHBondContact O-N 2.88Å; D59-Y66 HydrophobicContact CB-CE2 4Å; T64-Y66 HydrophobicContact CG2-CD1 4.21Å; T64-Y66 HydrophobicContact CG2-CD2 4.32Å; T64-Y66 HydrophobicContact CG2-CE1 3.6Å; T64-Y66 HydrophobicContact CG2-CE2 3.71Å; T64-Y66 WeakPolarHBondContact CG2-OH 3.35Å; T64-Y66 WeakPolarHBondContact O-CE2 3.47Å
67	M	98.1	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.9	165.7	176.4	-177	69.6	0	0	108.6	K5 M6 W22 I34 T55 L56 L69 Y80	K5-M67 WeakPolarHBondContact CA-O 3.31Å; M6-M67 HydrophobicContact CE-CE 4.31Å; M6-M67 PolarHBondContact N-O 2.96Å; M6-M67 PolarHBondContact O-N 3.24Å; M6-M67 HydrophobicContact SD-CE 3.41Å; M6-M67 WeakPolarHBondContact SD-CE 3.49Å; W22-M67 HydrophobicContact CB-SD 3.83Å; W22-M67 HydrophobicContact CD2-CB 3.6Å; W22-M67 HydrophobicContact CD2-CE 4.46Å; W22-M67 HydrophobicContact CD2-CG 4.41Å; W22-M67 HydrophobicContact CD2-SD 4.11Å; W22-M67 HydrophobicContact CE3-CB 3.91Å; W22-M67 HydrophobicContact CE3-CE 3.91Å; W22-M67 HydrophobicContact CE3-SD 4.14Å; W22-M67 HydrophobicContact CG-CB 4.04Å; W22-M67 HydrophobicContact CG-CG 4.48Å; W22-M67 HydrophobicContact CG-SD 4Å; W22-M67 HydrophobicContact CH2-CB 4.23Å; W22-M67 HydrophobicContact CZ2-CB 3.96Å; W22-M67 HydrophobicContact CZ3-CB 4.2Å; W22-M67 HydrophobicContact CZ3-CE 4.42Å; I34-M67 HydrophobicContact CD1-CE 4.15Å; I34-M67 HydrophobicContact CD1-SD 3.52Å; I34-M67 VanDerWaalsContact CD1-SD 3.52Å; I34-M67 HydrophobicContact CG2-SD 4.07Å; T55-M67 WeakPolarHBondContact O-CA 3.3Å; L56-M67 HydrophobicContact CD2-CB 3.74Å; L56-M67 HydrophobicContact CD2-CG 3.66Å; L56-M67 HydrophobicContact CD2-SD 4.42Å; M67-L69 HydrophobicContact CE-CD1 3.89Å; M67-L69 HydrophobicContact CE-CG 4.03Å; M67-L69 HydrophobicContact CG-CG 4.42Å; M67-L69 HydrophobicContact SD-CD2 4.23Å; M67-L69 HydrophobicContact SD-CG 4.32Å; M67-Y80 HydrophobicContact CE-CD1 3.67Å; M67-Y80 HydrophobicContact CE-CE1 4.23Å; M67-Y80 HydrophobicContact CE-CG 4.25Å
68	Q	98.1	Very high	95.6	Very high	75 Å²	75	50.1 Å²	50.1	35%	0.35	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.8	169.5	-179.9	174.5	-27	0	0	109.5	V4 K5 A54 T55	V4-Q68 CarbonylContact O-C 3.55Å; V4-Q68 VanDerWaalsContact O-CA 3.3Å; V4-Q68 WeakPolarHBondContact O-CA 3.43Å; K5-Q68 HydrophobicContact CG-CB 4.49Å; A54-Q68 CarbonylContact C-O 3.52Å; A54-Q68 WeakPolarHBondContact CA-O 3.38Å; T55-Q68 PolarHBondContact N-O 2.82Å; T55-Q68 PolarHBondContact O-N 2.95Å
69	L	97.4	Very high	95.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.6	170.4	-66.7	169.8	0	0	0	108.7	S3 V4 K53 A54 M67 L72 Y80 L101	S3-L69 CarbonylContact C-O 3.32Å; S3-L69 WeakPolarHBondContact CA-O 3.23Å; S3-L69 WeakPolarHBondContact CB-O 3.27Å; V4-L69 HydrophobicContact CG1-CB 4.13Å; V4-L69 HydrophobicContact CG1-CD1 4.49Å; V4-L69 PolarHBondContact N-O 3.34Å; V4-L69 PolarHBondContact O-N 2.88Å; K53-L69 WeakPolarHBondContact O-CA 3.45Å; A54-L69 HydrophobicContact CB-CD2 3.91Å; M67-L69 HydrophobicContact CE-CD1 3.89Å; M67-L69 HydrophobicContact CE-CG 4.03Å; M67-L69 HydrophobicContact CG-CG 4.42Å; M67-L69 HydrophobicContact SD-CD2 4.23Å; M67-L69 HydrophobicContact SD-CG 4.32Å; L69-L72 HydrophobicContact CB-CD2 3.75Å; L69-L72 HydrophobicContact CD1-CD2 4.37Å; L69-Y80 HydrophobicContact CD1-CD1 4.26Å; L69-Y80 HydrophobicContact CD1-CE1 3.55Å; L69-Y80 HydrophobicContact CD1-CE2 4.36Å; L69-L101 HydrophobicContact CD1-CD2 4.1Å
70	S	96	Very high	95.6	Very high	30 Å²	30	48 Å²	48	21%	0.21	27%	0.268	C	S	.	.			trans	-112.9	157	179.9	-56.9	0	0	0	0	111.4	S3 K53 L72	S3-S70 WeakPolarHBondContact OG-CA 3.46Å; K53-S70 PolarHBondContact O-N 2.94Å; S70-L72 VanDerWaalsContact C-N 3.35Å; S70-L72 PolarHBondContact O-N 2.95Å
71	S	94	Very high	95.7	Very high	76 Å²	76	44.1 Å²	44.1	53%	0.531	25%	0.251	S	S	.	.	S	Bend	trans	54.9	48.8	177.3	-64.6	0	0	0	0	112.9	A2	A2-S71 PolarHBondContact O-N 3.38Å
72	L	94.8	Very high	95.7	Very high	20 Å²	20	41.2 Å²	41.2	11%	0.105	22%	0.224	C	C	.	.			trans	-57.6	140.5	-178	-67.4	174.9	0	0	0	112.2	A2 V4 L69 S70 D76 L101 V103	A2-L72 WeakPolarHBondContact O-CB 3.28Å; A2-L72 VanDerWaalsContact O-CG 3.28Å; A2-L72 WeakPolarHBondContact O-CG 3.33Å; A2-L72 PolarHBondContact O-N 2.88Å; V4-L72 HydrophobicContact CB-CD1 4.13Å; V4-L72 HydrophobicContact CG1-CD1 3.92Å; V4-L72 HydrophobicContact CG1-CD2 4.48Å; L69-L72 HydrophobicContact CB-CD2 3.75Å; L69-L72 HydrophobicContact CD1-CD2 4.37Å; S70-L72 VanDerWaalsContact C-N 3.35Å; S70-L72 PolarHBondContact O-N 2.95Å; L72-D76 VanDerWaalsContact CA-OD2 3.32Å; L72-D76 WeakPolarHBondContact CA-OD2 3.48Å; L72-D76 HydrophobicContact CD2-CB 3.78Å; L72-L101 HydrophobicContact CD1-CD2 4.29Å; L72-L101 HydrophobicContact CD2-CD2 3.89Å; L72-V103 HydrophobicContact CB-CG1 4.41Å; L72-V103 HydrophobicContact CB-CG2 4.25Å; L72-V103 HydrophobicContact CD1-CG2 4.35Å
73	T	93.4	Very high	95.5	Very high	60 Å²	60	39.5 Å²	39.5	37%	0.368	21%	0.212	S	C	.	.			trans	-128.5	171.4	173.9	66.1	0	0	0	0	110.3	E75 D76	T73-E75 PolarHBondContact O-N 2.84Å; T73-E75 VanDerWaalsContact O-N 3.14Å; T73-D76 PolarHBondContact N-OD2 2.8Å; T73-D76 WeakPolarHBondContact O-CB 3.18Å; T73-D76 PolarHBondContact O-N 2.99Å
74	S	91.7	Very high	95.3	Very high	95 Å²	95	38.5 Å²	38.5	66%	0.664	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-57.4	-26	175.4	52.5	0	0	0	0	113	D76 F77	S74-D76 PolarHBondContact O-N 2.81Å; S74-F77 VanDerWaalsContact O-CB 3.31Å; S74-F77 WeakPolarHBondContact O-CB 3.49Å; S74-F77 PolarHBondContact O-N 3.03Å
75	E	90.2	Very high	94.8	Very high	128 Å²	128	39.1 Å²	39.1	60%	0.598	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-68.3	-14.3	175.4	-60	-175	171.3	0	0	113.7	K24 R26 T73 F77	K24-E75 WeakPolarHBondContact CE-O 3.41Å; K24-E75 PolarHBondContact NZ-O 2.95Å; R26-E75 PolarHBondContact NE-O 2.9Å; R26-E75 PolarHBondContact NH2-O 3.12Å; T73-E75 PolarHBondContact O-N 2.84Å; T73-E75 VanDerWaalsContact O-N 3.14Å; E75-F77 VanDerWaalsContact C-N 3.34Å
76	D	93.8	Very high	93.8	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.021	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-86.4	-5.4	176.7	-59.7	-47.8	0	0	0	113.6	K24 K53 L72 T73 S74 A78 Y80 V103	K24-D76 IonicContact NZ-OD1 3.43Å; K24-D76 PolarHBondContact NZ-OD1 2.83Å; K53-D76 VanDerWaalsContact CE-CG 3.47Å; K53-D76 WeakPolarHBondContact CE-OD1 3.46Å; K53-D76 WeakPolarHBondContact CE-OD2 3.45Å; K53-D76 IonicContact NZ-OD1 2.85Å; K53-D76 PolarHBondContact NZ-OD1 2.85Å; K53-D76 IonicContact NZ-OD2 2.64Å; K53-D76 PolarHBondContact NZ-OD2 3.34Å; L72-D76 VanDerWaalsContact CA-OD2 3.32Å; L72-D76 WeakPolarHBondContact CA-OD2 3.48Å; L72-D76 HydrophobicContact CD2-CB 3.78Å; T73-D76 PolarHBondContact N-OD2 2.8Å; T73-D76 WeakPolarHBondContact O-CB 3.18Å; T73-D76 PolarHBondContact O-N 2.99Å; S74-D76 PolarHBondContact O-N 2.81Å; D76-A78 PolarHBondContact O-N 3.4Å; D76-A78 VanDerWaalsContact O-N 3.08Å; D76-Y80 WeakPolarHBondContact O-CE2 3.48Å; D76-Y80 PolarHBondContact O-OH 3.1Å; D76-V103 HydrophobicContact CB-CG2 4.33Å
77	F	94.8	Very high	92.3	Very high	90 Å²	90	43 Å²	43	40%	0.395	24%	0.236	S	C	.	.			trans	-59.5	109.6	169.1	179.3	-94.1	0	0	0	110.2	S74 E75 L101 T102	S74-F77 VanDerWaalsContact O-CB 3.31Å; S74-F77 WeakPolarHBondContact O-CB 3.49Å; S74-F77 PolarHBondContact O-N 3.03Å; E75-F77 VanDerWaalsContact C-N 3.34Å; F77-L101 WeakPolarHBondContact CA-O 2.78Å; F77-T102 HydrophobicContact CD2-CG2 4.19Å; F77-T102 HydrophobicContact CE2-CG2 4.08Å
78	A	96.3	Very high	90.3	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	167.6	-173.8	0	0	0	0	0	111.2	K24 Q25 R26 D76 Y80 L101	K24-A78 HydrophobicContact CD-CB 4.19Å; K24-A78 HydrophobicContact CG-CB 3.55Å; Q25-A78 WeakPolarHBondContact O-CA 3.42Å; Q25-A78 VanDerWaalsContact O-CB 3.28Å; Q25-A78 WeakPolarHBondContact O-CB 3.18Å; R26-A78 HydrophobicContact CG-CB 4.19Å; D76-A78 PolarHBondContact O-N 3.4Å; D76-A78 VanDerWaalsContact O-N 3.08Å; A78-Y80 HydrophobicContact CB-CD2 4.28Å; A78-Y80 HydrophobicContact CB-CE2 3.71Å; A78-L101 PolarHBondContact N-O 3.48Å; A78-L101 PolarHBondContact O-N 2.81Å
79	V	97.2	Very high	88.2	Confident	41 Å²	41	53.4 Å²	53.4	25%	0.248	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.5	160.7	-172.5	0	0	0	0	108.2	Q25 F81 T99	Q25-V79 PolarHBondContact N-O 3.29Å; Q25-V79 PolarHBondContact O-N 3.08Å; V79-F81 HydrophobicContact CB-CE2 3.88Å; V79-F81 HydrophobicContact CB-CZ 4.03Å; V79-F81 HydrophobicContact CG1-CD2 4.29Å; V79-F81 HydrophobicContact CG1-CE1 3.92Å; V79-F81 HydrophobicContact CG1-CE2 3.57Å; V79-F81 HydrophobicContact CG1-CZ 3.36Å; V79-T99 WeakPolarHBondContact CA-O 3.4Å
80	Y	97.4	Very high	86.2	Confident	3 Å²	3	58.1 Å²	58.1	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.8	178.2	-69.2	-95.1	0	0	0	109.5	M6 V23 K24 I34 M67 L69 D76 A78 G98 T99 L101	M6-Y80 HydrophobicContact CE-CD2 4.32Å; M6-Y80 HydrophobicContact CE-CG 3.95Å; M6-Y80 HydrophobicContact SD-CD2 4.41Å; M6-Y80 HydrophobicContact SD-CG 4.14Å; V23-Y80 CarbonylContact O-C 3.39Å; V23-Y80 WeakPolarHBondContact O-CA 3.48Å; K24-Y80 HydrophobicContact CB-CD1 4.05Å; K24-Y80 HydrophobicContact CB-CE1 3.82Å; K24-Y80 HydrophobicContact CD-CE1 3.9Å; K24-Y80 WeakPolarHBondContact CE-OH 3.3Å; K24-Y80 HydrophobicContact CG-CD1 4.26Å; K24-Y80 HydrophobicContact CG-CE1 3.72Å; I34-Y80 HydrophobicContact CD1-CD1 3.7Å; I34-Y80 HydrophobicContact CD1-CE1 3.78Å; M67-Y80 HydrophobicContact CE-CD1 3.67Å; M67-Y80 HydrophobicContact CE-CE1 4.23Å; M67-Y80 HydrophobicContact CE-CG 4.25Å; L69-Y80 HydrophobicContact CD1-CD1 4.26Å; L69-Y80 HydrophobicContact CD1-CE1 3.55Å; L69-Y80 HydrophobicContact CD1-CE2 4.36Å; D76-Y80 WeakPolarHBondContact O-CE2 3.48Å; D76-Y80 PolarHBondContact O-OH 3.1Å; A78-Y80 HydrophobicContact CB-CD2 4.28Å; A78-Y80 HydrophobicContact CB-CE2 3.71Å; Y80-G98 CarbonylContact O-C 3.5Å; Y80-G98 WeakPolarHBondContact O-CA 3.35Å; Y80-T99 PolarHBondContact N-O 2.88Å; Y80-T99 PolarHBondContact O-N 2.64Å; Y80-L101 HydrophobicContact CD2-CB 3.82Å; Y80-L101 HydrophobicContact CD2-CD2 4.47Å; Y80-L101 HydrophobicContact CE2-CB 3.61Å; Y80-L101 HydrophobicContact CE2-CD2 3.74Å; Y80-L101 HydrophobicContact CE2-CG 4.31Å
81	F	96.4	Very high	84.5	Confident	33 Å²	33	67 Å²	67	15%	0.145	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	152.1	-179.9	-57.1	-89.2	0	0	0	109.6	W22 V23 Q25 V79 W95	W22-F81 WeakPolarHBondContact CA-O 2.93Å; V23-F81 HydrophobicContact CB-CB 4.49Å; V23-F81 PolarHBondContact N-O 2.92Å; V23-F81 PolarHBondContact O-N 2.76Å; Q25-F81 HydrophobicContact CB-CD2 4.39Å; Q25-F81 HydrophobicContact CB-CE2 3.76Å; V79-F81 HydrophobicContact CB-CE2 3.88Å; V79-F81 HydrophobicContact CB-CZ 4.03Å; V79-F81 HydrophobicContact CG1-CD2 4.29Å; V79-F81 HydrophobicContact CG1-CE1 3.92Å; V79-F81 HydrophobicContact CG1-CE2 3.57Å; V79-F81 HydrophobicContact CG1-CZ 3.36Å; F81-W95 HydrophobicContact CB-CE3 3.77Å; F81-W95 HydrophobicContact CB-CZ3 3.89Å; F81-W95 HydrophobicContact CG-CE3 4.23Å; F81-W95 HydrophobicContact CG-CZ3 4.38Å
82	Y	94.7	Very high	83.3	Confident	46 Å²	46	66.4 Å²	66.4	18%	0.18	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.6	157.6	71.4	-91.4	0	0	0	108.1	C8 S21 Y94 G96	C8-Y82 HydrophobicContact CB-CD1 3.74Å; C8-Y82 HydrophobicContact CB-CD2 4.04Å; C8-Y82 HydrophobicContact CB-CE1 4.12Å; C8-Y82 HydrophobicContact CB-CE2 4.37Å; C8-Y82 HydrophobicContact CB-CG 3.68Å; C8-Y82 WeakPolarHBondContact SG-CD2 3.24Å; C8-Y82 WeakPolarHBondContact SG-CE2 3.35Å; C8-Y82 VanDerWaalsContact SG-CG 3.51Å; S21-Y82 CarbonylContact O-C 3.6Å; S21-Y82 VanDerWaalsContact O-CA 3.26Å; S21-Y82 WeakPolarHBondContact O-CA 3.34Å; Y82-Y94 HydrophobicContact CE2-CD1 4.05Å; Y82-Y94 AromaticContact CE2-CE1 3.49Å; Y82-Y94 HydrophobicContact CE2-CE1 3.49Å; Y82-Y94 VanDerWaalsContact CE2-CE1 3.49Å; Y82-Y94 AromaticContact CZ-CE1 3.77Å; Y82-Y94 WeakPolarHBondContact OH-CE1 3.43Å; Y82-Y94 PolarHBondContact OH-OH 3.48Å; Y82-G96 PolarHBondContact O-N 2.59Å
83	A	93.6	Very high	82.4	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.9	171.1	0	0	0	0	0	109.1	I20 S21 F92 Y94 W95	I20-A83 WeakPolarHBondContact CA-O 3.27Å; S21-A83 PolarHBondContact N-O 2.78Å; S21-A83 PolarHBondContact O-N 2.75Å; A83-F92 HydrophobicContact CB-CB 4.12Å; A83-F92 HydrophobicContact CB-CD1 3.4Å; A83-F92 VanDerWaalsContact CB-CD1 3.4Å; A83-F92 HydrophobicContact CB-CE1 4.1Å; A83-F92 HydrophobicContact CB-CG 3.98Å; A83-Y94 CarbonylContact C-O 3.47Å; A83-Y94 WeakPolarHBondContact CA-O 3.45Å; A83-W95 HydrophobicContact CB-CD2 3.8Å; A83-W95 HydrophobicContact CB-CE3 4.08Å; A83-W95 HydrophobicContact CB-CG 4.2Å; A83-W95 HydrophobicContact CB-CH2 4.42Å; A83-W95 HydrophobicContact CB-CZ2 4.14Å; A83-W95 HydrophobicContact CB-CZ3 4.39Å
84	R	90.3	Very high	82.1	Confident	46 Å²	46	70.8 Å²	70.8	17%	0.174	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.9	173.7	66.1	174.8	-176.1	133	2.9	111.7	Y13 Y18 V19 I20 F92 D93 Y94	Y13-R84 VanDerWaalsContact CZ-CD 3.47Å; Y18-R84 HydrophobicContact CD1-CB 4.4Å; Y18-R84 HydrophobicContact CD1-CG 4.37Å; V19-R84 WeakPolarHBondContact O-CA 3.31Å; I20-R84 HydrophobicContact CD1-CB 3.85Å; R84-F92 CarbonylContact O-C 3.55Å; R84-F92 VanDerWaalsContact O-CA 3.26Å; R84-F92 WeakPolarHBondContact O-CA 3.32Å; R84-D93 PolarHBondContact O-N 3.29Å; R84-Y94 HydrophobicContact CG-CD1 4.25Å; R84-Y94 HydrophobicContact CG-CG 4.47Å; R84-Y94 PolarHBondContact N-O 3.06Å
85	S	86.4	Confident	82.1	Confident	20 Å²	20	70.6 Å²	70.6	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139.6	173.1	48.1	0	0	0	0	110	Y18 V19 D90	Y18-S85 WeakPolarHBondContact CA-O 3.2Å; V19-S85 PolarHBondContact N-O 3.25Å; V19-S85 PolarHBondContact O-N 3.41Å; V19-S85 VanDerWaalsContact O-N 3.09Å; S85-D90 WeakPolarHBondContact CB-O 3.47Å
86	G	78	Confident	82.1	Confident	17 Å²	17	64.7 Å²	64.7	18%	0.175	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	158.7	173.9	0	0	0	0	0	112.9	G88 D93	G86-G88 PolarHBondContact O-N 2.77Å; G86-D93 PolarHBondContact N-OD2 2.94Å
87	D	65.4	Low	82.1	Confident	118 Å²	118	73 Å²	73	63%	0.631	34%	0.344	S	S	*	.	S	Bend	trans	-64	2.2	178	-151.4	-6.4	0	0	0	114	Y38	Y38-D87 PolarHBondContact OH-OD2 2.92Å
88	G	56.6	Low	82	Confident	52 Å²	52	70 Å²	70	54%	0.536	34%	0.339	S	S	.	.	S	Bend	trans	-145.7	63.6	-167.8	0	0	0	0	0	114.6	G86	G86-G88 PolarHBondContact O-N 2.77Å
89	R	54.4	Low	82	Confident	240 Å²	240	73.7 Å²	73.7	91%	0.906	36%	0.361	S	S	*	.	S	Bend	trans	81.9	9.8	161.3	-47.9	-179.9	-172	-179.1	2.6	119
90	D	55.3	Low	82	Confident	100 Å²	100	75.8 Å²	75.8	54%	0.535	37%	0.374	S	S	.	.			trans	-98.1	125.8	174	-57.5	-45.6	0	0	0	110.9	S85 D93	S85-D90 WeakPolarHBondContact CB-O 3.47Å; D90-D93 VanDerWaalsContact C-OD1 3.26Å; D90-D93 VanDerWaalsContact CB-CG 3.47Å; D90-D93 WeakPolarHBondContact CB-OD1 3.45Å
91	Y	59.4	Low	81.8	Confident	217 Å²	217	76.7 Å²	76.7	85%	0.851	38%	0.379	S	S	*	.	S	Bend	trans	-85.9	112.1	-178.3	-71.5	-83.6	0	0	0	110.3	D93	Y91-D93 PolarHBondContact O-N 3.01Å
92	F	69	Low	81.7	Confident	62 Å²	62	79.8 Å²	79.8	27%	0.272	40%	0.401	S	S	.	.			trans	46.9	53.4	170.1	-59.2	-53.7	0	0	0	115.7	S21 A83 R84 Y94 W95	S21-F92 VanDerWaalsContact CB-CE1 3.46Å; S21-F92 WeakPolarHBondContact OG-CE1 3.45Å; A83-F92 HydrophobicContact CB-CB 4.12Å; A83-F92 HydrophobicContact CB-CD1 3.4Å; A83-F92 VanDerWaalsContact CB-CD1 3.4Å; A83-F92 HydrophobicContact CB-CE1 4.1Å; A83-F92 HydrophobicContact CB-CG 3.98Å; R84-F92 CarbonylContact O-C 3.55Å; R84-F92 VanDerWaalsContact O-CA 3.26Å; R84-F92 WeakPolarHBondContact O-CA 3.32Å; F92-Y94 PolarHBondContact O-N 3.2Å; F92-W95 HydrophobicContact CB-CZ2 4.12Å; F92-W95 HydrophobicContact CD2-CZ2 4.05Å; F92-W95 HydrophobicContact CG-CZ2 4.05Å; F92-W95 PolarHBondContact O-NE1 3.48Å
93	D	76.3	Confident	81.4	Confident	76 Å²	76	79.3 Å²	79.3	41%	0.406	40%	0.403	S	S	.	.			trans	-56.3	-21.5	-174.2	-40.5	-22.6	0	0	0	113.6	R84 G86 D90 Y91	R84-D93 PolarHBondContact O-N 3.29Å; G86-D93 PolarHBondContact N-OD2 2.94Å; D90-D93 VanDerWaalsContact C-OD1 3.26Å; D90-D93 VanDerWaalsContact CB-CG 3.47Å; D90-D93 WeakPolarHBondContact CB-OD1 3.45Å; Y91-D93 PolarHBondContact O-N 3.01Å
94	Y	86.6	Confident	81	Confident	96 Å²	96	84.4 Å²	84.4	38%	0.376	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	139.7	176.4	170.9	-84	0	0	0	111.3	Y82 A83 R84 F92	Y82-Y94 HydrophobicContact CE2-CD1 4.05Å; Y82-Y94 AromaticContact CE2-CE1 3.49Å; Y82-Y94 HydrophobicContact CE2-CE1 3.49Å; Y82-Y94 VanDerWaalsContact CE2-CE1 3.49Å; Y82-Y94 AromaticContact CZ-CE1 3.77Å; Y82-Y94 WeakPolarHBondContact OH-CE1 3.43Å; Y82-Y94 PolarHBondContact OH-OH 3.48Å; A83-Y94 CarbonylContact C-O 3.47Å; A83-Y94 WeakPolarHBondContact CA-O 3.45Å; R84-Y94 HydrophobicContact CG-CD1 4.25Å; R84-Y94 HydrophobicContact CG-CG 4.47Å; R84-Y94 PolarHBondContact N-O 3.06Å; F92-Y94 PolarHBondContact O-N 3.2Å
95	W	91.9	Very high	79.9	Confident	91 Å²	91	91.3 Å²	91.3	35%	0.345	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.6	172.4	-71.4	72.8	0	0	0	110	V23 L31 F81 A83 F92	V23-W95 HydrophobicContact CB-CH2 4.13Å; V23-W95 HydrophobicContact CB-CZ3 3.86Å; V23-W95 HydrophobicContact CG1-CH2 4.11Å; V23-W95 HydrophobicContact CG1-CZ3 4.05Å; V23-W95 HydrophobicContact CG2-CH2 3.73Å; V23-W95 HydrophobicContact CG2-CZ3 3.86Å; L31-W95 HydrophobicContact CD1-CH2 4.01Å; L31-W95 HydrophobicContact CD1-CZ3 4.46Å; F81-W95 HydrophobicContact CB-CE3 3.77Å; F81-W95 HydrophobicContact CB-CZ3 3.89Å; F81-W95 HydrophobicContact CG-CE3 4.23Å; F81-W95 HydrophobicContact CG-CZ3 4.38Å; A83-W95 HydrophobicContact CB-CD2 3.8Å; A83-W95 HydrophobicContact CB-CE3 4.08Å; A83-W95 HydrophobicContact CB-CG 4.2Å; A83-W95 HydrophobicContact CB-CH2 4.42Å; A83-W95 HydrophobicContact CB-CZ2 4.14Å; A83-W95 HydrophobicContact CB-CZ3 4.39Å; F92-W95 HydrophobicContact CB-CZ2 4.12Å; F92-W95 HydrophobicContact CD2-CZ2 4.05Å; F92-W95 HydrophobicContact CG-CZ2 4.05Å; F92-W95 PolarHBondContact O-NE1 3.48Å
96	G	91.1	Very high	79.5	Confident	5 Å²	5	94.9 Å²	94.9	5%	0.052	51%	0.512	C	S	.	.			trans	-66.4	162	166.9	0	0	0	0	0	111.8	Y82 G98	Y82-G96 PolarHBondContact O-N 2.59Å; G96-G98 PolarHBondContact O-N 3.32Å
97	Q	92.6	Very high	79.6	Confident	178 Å²	178	99 Å²	99	83%	0.832	53%	0.529	S	S	*	.			trans	-60.8	-15.2	177.5	-65.8	-62.9	-41.2	0	0	114
98	G	93.8	Very high	80.4	Confident	28 Å²	28	97.9 Å²	97.9	29%	0.289	52%	0.524	S	S	.	.			trans	78.8	164.1	-173.1	0	0	0	0	0	112.4	Y80 G96	Y80-G98 CarbonylContact O-C 3.5Å; Y80-G98 WeakPolarHBondContact O-CA 3.35Å; G96-G98 PolarHBondContact O-N 3.32Å
99	T	95.7	Very high	81.8	Confident	78 Å²	78	100.6 Å²	100.6	48%	0.479	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.4	172	-171.5	0	0	0	0	110.4	M6 V79 Y80	M6-T99 HydrophobicContact CE-CG2 3.03Å; V79-T99 WeakPolarHBondContact CA-O 3.4Å; Y80-T99 PolarHBondContact N-O 2.88Å; Y80-T99 PolarHBondContact O-N 2.64Å
100	T	96.2	Very high	83.5	Confident	85 Å²	85	91.9 Å²	91.9	52%	0.521	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123	-178.5	-55.3	0	0	0	0	109.7
101	L	94.8	Very high	85.4	Confident	22 Å²	22	91.4 Å²	91.4	12%	0.115	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.8	168.3	179.7	62.7	0	0	0	109	V4 L69 L72 F77 A78 Y80 V103	V4-L101 HydrophobicContact CB-CD1 4.29Å; V4-L101 HydrophobicContact CG1-CD1 3.89Å; V4-L101 HydrophobicContact CG1-CD2 3.88Å; V4-L101 HydrophobicContact CG2-CD1 4.24Å; L69-L101 HydrophobicContact CD1-CD2 4.1Å; L72-L101 HydrophobicContact CD1-CD2 4.29Å; L72-L101 HydrophobicContact CD2-CD2 3.89Å; F77-L101 WeakPolarHBondContact CA-O 2.78Å; A78-L101 PolarHBondContact N-O 3.48Å; A78-L101 PolarHBondContact O-N 2.81Å; Y80-L101 HydrophobicContact CD2-CB 3.82Å; Y80-L101 HydrophobicContact CD2-CD2 4.47Å; Y80-L101 HydrophobicContact CE2-CB 3.61Å; Y80-L101 HydrophobicContact CE2-CD2 3.74Å; Y80-L101 HydrophobicContact CE2-CG 4.31Å; L101-V103 HydrophobicContact CD2-CG2 4.43Å; L101-V103 HydrophobicContact CG-CG2 4.2Å
102	T	93.2	Very high	87.3	Confident	98 Å²	98	82.4 Å²	82.4	60%	0.601	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-100.2	127.7	173.4	-56.1	0	0	0	0	110.4	F77	F77-T102 HydrophobicContact CD2-CG2 4.19Å; F77-T102 HydrophobicContact CE2-CG2 4.08Å
103	V	89.9	Confident	88.7	Confident	36 Å²	36	84 Å²	84	22%	0.218	49%	0.487	C	S	.	.			trans	-121.3	112.3	173.9	-173	0	0	0	0	107.8	L72 D76 L101	L72-V103 HydrophobicContact CB-CG1 4.41Å; L72-V103 HydrophobicContact CB-CG2 4.25Å; L72-V103 HydrophobicContact CD1-CG2 4.35Å; D76-V103 HydrophobicContact CB-CG2 4.33Å; L101-V103 HydrophobicContact CD2-CG2 4.43Å; L101-V103 HydrophobicContact CG-CG2 4.2Å
104	S	83.4	Confident	89.7	Confident	107 Å²	107	84.7 Å²	84.7	75%	0.748	49%	0.493	S	S	*	.			trans	-102.7	146.4	173.4	55.1	0	0	0	0	110.3
105	S	67.5	Low	90	Very high	192 Å²	192	83.6 Å²	83.6	100%	1.343	50%	0.504	S	S	*	.			trans	-72.5	0	172	57.4	0	0	0	0	112.4

Retrieved 105 of 105 residues in 23.6 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).