X5J516_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J516, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 aa.

						>X5J516_MOUSE|X5J516
SCKATGYTFTGYWIEWVKQRPGHGLEWIGEILPGSGSTNYNEKFKGKATFTADTSSNTAYMQLSSLTTEDSAIYYCARRTVRTFAYWGQGTLVTVSAESQSF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	96.7	Very high	92.9	Very high	107 Å²	107	68.1 Å²	68.1	75%	0.748	45%	0.447	S	S	*	.				0	164.3	0	52.1	0	0	0	0	109.1	A59 Y60	S1-A59 CarbonylContact C-O 3.54Å; S1-A59 VanDerWaalsContact CA-O 3.27Å; S1-A59 WeakPolarHBondContact CA-O 3.44Å; S1-Y60 VanDerWaalsContact CB-CD1 3.46Å
2	C	96.5	Very high	92.9	Very high	18 Å²	18	69 Å²	69	12%	0.122	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	110.8	179.6	-179.1	0	0	0	0	108.9	W16 T58 A59 C76	C2-W16 HydrophobicContact CB-CH2 3.58Å; C2-W16 HydrophobicContact CB-CZ2 4.02Å; C2-W16 HydrophobicContact CB-CZ3 4.32Å; C2-T58 CarbonylContact O-C 3.59Å; C2-T58 WeakPolarHBondContact O-CA 3.19Å; C2-A59 PolarHBondContact N-O 2.97Å; C2-A59 PolarHBondContact O-N 2.87Å; C2-C76 HydrophobicContact CB-CB 3.44Å; C2-C76 VanDerWaalsContact CB-CB 3.44Å; C2-C76 WeakPolarHBondContact CB-SG 3.47Å; C2-C76 WeakPolarHBondContact SG-CB 3.32Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.84Å
3	K	96.1	Very high	93	Very high	150 Å²	150	68 Å²	68	65%	0.652	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	128.1	-179.4	-174.1	173.3	-176.6	175.5	0	110.3
4	A	92.8	Very high	93.3	Very high	8 Å²	8	63.2 Å²	63.2	7%	0.066	39%	0.389	C	S	.	.			trans	-89.3	141	177.6	0	0	0	0	0	111.8	Y7 F9 N57	A4-Y7 HydrophobicContact CB-CE1 3.71Å; A4-Y7 HydrophobicContact CB-CE2 4.04Å; A4-Y7 WeakPolarHBondContact CB-OH 3.32Å; A4-F9 HydrophobicContact CB-CB 4.15Å; A4-F9 HydrophobicContact CB-CD2 3.33Å; A4-F9 HydrophobicContact CB-CE2 3.99Å; A4-F9 HydrophobicContact CB-CG 4.04Å; A4-N57 HydrophobicContact CB-CB 4.3Å; A4-N57 PolarHBondContact N-O 3.41Å
5	T	89.8	Confident	93.5	Very high	113 Å²	113	59.6 Å²	59.6	69%	0.693	37%	0.366	S	S	*	.			trans	-138.1	143.7	175.6	56.7	0	0	0	0	110.2	Y7	T5-Y7 WeakPolarHBondContact O-CD1 3.5Å; T5-Y7 PolarHBondContact O-N 3.23Å
6	G	87.9	Confident	93.8	Very high	89 Å²	89	56.6 Å²	56.6	92%	0.918	35%	0.346	S	S	*	.	S	Bend	trans	76.6	17.8	173.2	0	0	0	0	0	116.5
7	Y	87.3	Confident	93.9	Very high	53 Å²	53	53.5 Å²	53.5	21%	0.208	33%	0.327	C	S	.	.	S	Bend	trans	-158	166.1	173.1	64	-86	0	0	0	113	A4 T5 F9 Y12 I14 R78	A4-Y7 HydrophobicContact CB-CE1 3.71Å; A4-Y7 HydrophobicContact CB-CE2 4.04Å; A4-Y7 WeakPolarHBondContact CB-OH 3.32Å; T5-Y7 WeakPolarHBondContact O-CD1 3.5Å; T5-Y7 PolarHBondContact O-N 3.23Å; Y7-F9 HydrophobicContact CE2-CD2 4.42Å; Y7-F9 PolarHBondContact O-N 3.32Å; Y7-Y12 AromaticContact CD2-CD2 3.54Å; Y7-Y12 HydrophobicContact CD2-CD2 3.54Å; Y7-Y12 HydrophobicContact CD2-CE2 4.05Å; Y7-Y12 HydrophobicContact CD2-CG 4.27Å; Y7-Y12 HydrophobicContact CE2-CD2 4.08Å; Y7-Y12 HydrophobicContact CE2-CG 4.43Å; Y7-I14 HydrophobicContact CE2-CD1 4.5Å; Y7-I14 WeakPolarHBondContact OH-CD1 3.33Å; Y7-R78 HydrophobicContact CE2-CG 4.02Å; Y7-R78 VanDerWaalsContact CG-NH1 3.3Å
8	T	91.9	Very high	94.1	Very high	98 Å²	98	50.6 Å²	50.6	60%	0.601	31%	0.309	S	S	*	.			trans	-71	87.2	174.8	-48.8	0	0	0	0	111	T10 G11 Y12	T8-T10 PolarHBondContact O-N 3.41Å; T8-T10 VanDerWaalsContact O-N 3.12Å; T8-G11 PolarHBondContact O-N 2.92Å; T8-Y12 VanDerWaalsContact O-CD2 3.3Å; T8-Y12 WeakPolarHBondContact O-CD2 3.47Å
9	F	93.9	Very high	94.2	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.009	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-48.8	-40	-174.6	176.1	-116.8	0	0	0	114.6	A4 Y7 G11 Y12 I14 P33 A52 N57 T58 A59	A4-F9 HydrophobicContact CB-CB 4.15Å; A4-F9 HydrophobicContact CB-CD2 3.33Å; A4-F9 HydrophobicContact CB-CE2 3.99Å; A4-F9 HydrophobicContact CB-CG 4.04Å; Y7-F9 HydrophobicContact CE2-CD2 4.42Å; Y7-F9 PolarHBondContact O-N 3.32Å; F9-G11 PolarHBondContact O-N 2.8Å; F9-Y12 PolarHBondContact O-N 2.8Å; F9-I14 HydrophobicContact CD2-CD1 4.08Å; F9-I14 HydrophobicContact CD2-CG1 4.3Å; F9-I14 HydrophobicContact CE2-CD1 3.87Å; F9-I14 HydrophobicContact CE2-CG1 3.67Å; F9-I14 HydrophobicContact CZ-CG1 4.43Å; F9-P33 HydrophobicContact CD1-CB 3.74Å; F9-P33 HydrophobicContact CD1-CG 4.01Å; F9-P33 HydrophobicContact CD2-CG 4.11Å; F9-P33 HydrophobicContact CE1-CB 3.36Å; F9-P33 HydrophobicContact CE1-CG 3.57Å; F9-P33 HydrophobicContact CE2-CB 4.43Å; F9-P33 HydrophobicContact CE2-CG 3.71Å; F9-P33 HydrophobicContact CG-CB 4.42Å; F9-P33 HydrophobicContact CG-CG 4.27Å; F9-P33 HydrophobicContact CZ-CB 3.75Å; F9-P33 HydrophobicContact CZ-CG 3.4Å; F9-A52 HydrophobicContact CE1-CB 4.17Å; F9-A52 HydrophobicContact CZ-CB 4.2Å; F9-N57 HydrophobicContact CB-CB 3.9Å; F9-N57 VanDerWaalsContact CB-OD1 3.28Å; F9-N57 WeakPolarHBondContact CB-OD1 3.38Å; F9-N57 HydrophobicContact CD1-CB 4.06Å; F9-N57 HydrophobicContact CG-CB 3.95Å; F9-T58 VanDerWaalsContact CZ-C 3.5Å; F9-A59 HydrophobicContact CE2-CB 4.21Å; F9-A59 HydrophobicContact CZ-CB 3.94Å
10	T	95.4	Very high	94.3	Very high	58 Å²	58	52.4 Å²	52.4	36%	0.356	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-65.5	-21.2	-178.3	52.8	0	0	0	0	114.5	T8 G34 T54	T8-T10 PolarHBondContact O-N 3.41Å; T8-T10 VanDerWaalsContact O-N 3.12Å; T10-G34 VanDerWaalsContact O-CA 3.28Å; T10-G34 WeakPolarHBondContact O-CA 3.34Å; T10-G34 PolarHBondContact O-N 2.97Å; T10-T54 HydrophobicContact CG2-CG2 3.73Å
11	G	93.3	Very high	94.1	Very high	53 Å²	53	55.3 Å²	55.3	55%	0.546	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-95.8	2	-175.6	0	0	0	0	0	115.4	T8 F9	T8-G11 PolarHBondContact O-N 2.92Å; F9-G11 PolarHBondContact O-N 2.8Å
12	Y	93.1	Very high	93.9	Very high	79 Å²	79	54.5 Å²	54.5	31%	0.31	34%	0.336	S	S	.	.	S	Bend	trans	-127.8	141.5	-176.7	-66.9	-85.9	0	0	0	111.9	Y7 T8 F9 P33 R78 R79 T80	Y7-Y12 AromaticContact CD2-CD2 3.54Å; Y7-Y12 HydrophobicContact CD2-CD2 3.54Å; Y7-Y12 HydrophobicContact CD2-CE2 4.05Å; Y7-Y12 HydrophobicContact CD2-CG 4.27Å; Y7-Y12 HydrophobicContact CE2-CD2 4.08Å; Y7-Y12 HydrophobicContact CE2-CG 4.43Å; T8-Y12 VanDerWaalsContact O-CD2 3.3Å; T8-Y12 WeakPolarHBondContact O-CD2 3.47Å; F9-Y12 PolarHBondContact O-N 2.8Å; Y12-P33 WeakPolarHBondContact O-CD 3.35Å; Y12-R78 HydrophobicContact CD1-CG 4.31Å; Y12-R78 HydrophobicContact CG-CG 4.12Å; Y12-R79 WeakPolarHBondContact CD1-O 3.46Å; Y12-T80 HydrophobicContact CD1-CG2 4.26Å; Y12-T80 HydrophobicContact CE1-CG2 4.03Å
13	W	94.9	Very high	93.7	Very high	56 Å²	56	59.2 Å²	59.2	21%	0.212	36%	0.356	C	S	.	.			trans	-67.7	131.7	169.6	-70	96.5	0	0	0	110.3	E30 L32 S37 R79	W13-E30 WeakPolarHBondContact CB-OE2 3.4Å; W13-E30 HydrophobicContact CD2-CG 4.22Å; W13-E30 HydrophobicContact CE3-CB 3.94Å; W13-E30 HydrophobicContact CE3-CG 3.42Å; W13-E30 VanDerWaalsContact CE3-CG 3.42Å; W13-E30 HydrophobicContact CZ3-CG 3.79Å; W13-L32 HydrophobicContact CD2-CB 3.77Å; W13-L32 HydrophobicContact CD2-CD1 4.39Å; W13-L32 HydrophobicContact CE3-CB 3.66Å; W13-L32 HydrophobicContact CG-CD1 4.4Å; W13-L32 HydrophobicContact CH2-CB 3.67Å; W13-L32 HydrophobicContact CZ2-CB 3.76Å; W13-L32 HydrophobicContact CZ2-CD2 4Å; W13-L32 HydrophobicContact CZ2-CG 4.44Å; W13-L32 HydrophobicContact CZ3-CB 3.62Å; W13-L32 VanDerWaalsContact CZ3-N 3.27Å; W13-S37 VanDerWaalsContact CZ3-O 3.27Å; W13-S37 WeakPolarHBondContact CZ3-O 3.2Å; W13-R79 HydrophobicContact CB-CB 4.21Å; W13-R79 VanDerWaalsContact CD1-NH2 3.32Å; W13-R79 PolarHBondContact O-N 3.23Å
14	I	96.4	Very high	93.6	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.2	172.3	-49.9	-59.5	0	0	0	107.4	Y7 F9 E30 I31 P33 A59 C76 A77	Y7-I14 HydrophobicContact CE2-CD1 4.5Å; Y7-I14 WeakPolarHBondContact OH-CD1 3.33Å; F9-I14 HydrophobicContact CD2-CD1 4.08Å; F9-I14 HydrophobicContact CD2-CG1 4.3Å; F9-I14 HydrophobicContact CE2-CD1 3.87Å; F9-I14 HydrophobicContact CE2-CG1 3.67Å; F9-I14 HydrophobicContact CZ-CG1 4.43Å; I14-E30 CarbonylContact O-C 3.44Å; I14-E30 WeakPolarHBondContact O-CA 3.26Å; I14-E30 WeakPolarHBondContact O-CB 3.35Å; I14-I31 HydrophobicContact CB-CG2 4.19Å; I14-I31 PolarHBondContact N-O 2.86Å; I14-I31 PolarHBondContact O-N 2.78Å; I14-P33 HydrophobicContact CG1-CG 3.9Å; I14-A59 HydrophobicContact CB-CB 4.17Å; I14-A59 HydrophobicContact CG1-CB 4.27Å; I14-A59 HydrophobicContact CG2-CB 3.82Å; I14-C76 HydrophobicContact CG2-CB 4.44Å; I14-A77 CarbonylContact C-O 3.49Å; I14-A77 WeakPolarHBondContact CA-O 3.43Å
15	E	96.3	Very high	93.7	Very high	9 Å²	9	59 Å²	59	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	145.9	-175.3	-54.9	-143.1	-160.4	0	0	110.9	W27 G29 E30 C76 A77 R79 F84	E15-W27 PolarHBondContact OE2-NE1 3.13Å; E15-G29 WeakPolarHBondContact CA-O 3.18Å; E15-E30 HydrophobicContact CB-CB 4.34Å; E15-E30 HydrophobicContact CG-CB 3.8Å; E15-C76 CarbonylContact O-C 3.41Å; E15-C76 WeakPolarHBondContact O-CA 3.28Å; E15-A77 PolarHBondContact N-O 3.1Å; E15-A77 PolarHBondContact O-N 3.22Å; E15-R79 HydrophobicContact CG-CB 4.1Å; E15-R79 VanDerWaalsContact OE1-CB 3.24Å; E15-R79 WeakPolarHBondContact OE1-CB 3.37Å; E15-R79 WeakPolarHBondContact OE1-CD 3.41Å; E15-R79 IonicContact OE1-NE 2.87Å; E15-R79 PolarHBondContact OE1-NE 3.46Å; E15-F84 HydrophobicContact CB-CE1 4.08Å; E15-F84 HydrophobicContact CG-CE1 3.93Å; E15-F84 WeakPolarHBondContact OE2-CE1 3.28Å; E15-F84 WeakPolarHBondContact OE2-CZ 3.5Å
16	W	97.7	Very high	94	Very high	11 Å²	11	55.4 Å²	55.4	4%	0.042	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.8	176.2	-64.7	99.5	0	0	0	109.7	C2 I28 G29 F50 A59 M61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.58Å; C2-W16 HydrophobicContact CB-CZ2 4.02Å; C2-W16 HydrophobicContact CB-CZ3 4.32Å; W16-I28 HydrophobicContact CB-CB 4.12Å; W16-I28 HydrophobicContact CB-CD1 4.31Å; W16-I28 WeakPolarHBondContact O-CB 3.42Å; W16-I28 PolarHBondContact O-N 2.82Å; W16-G29 PolarHBondContact N-O 2.99Å; W16-G29 PolarHBondContact O-N 3.27Å; W16-F50 HydrophobicContact CB-CE1 4.32Å; W16-F50 AromaticContact CD1-CD1 3.57Å; W16-F50 AromaticContact CD1-CE1 3.6Å; W16-F50 HydrophobicContact CG-CD1 4.39Å; W16-F50 HydrophobicContact CG-CE1 4.1Å; W16-F50 AromaticContact NE1-CD1 3.86Å; W16-A59 HydrophobicContact CZ2-CB 4.23Å; W16-M61 HydrophobicContact CB-SD 3.81Å; W16-M61 HydrophobicContact CD2-CB 3.66Å; W16-M61 HydrophobicContact CD2-CE 4.2Å; W16-M61 HydrophobicContact CD2-CG 4.44Å; W16-M61 HydrophobicContact CD2-SD 4.05Å; W16-M61 HydrophobicContact CE3-CB 4.04Å; W16-M61 HydrophobicContact CE3-CE 3.79Å; W16-M61 HydrophobicContact CE3-SD 4.25Å; W16-M61 HydrophobicContact CG-CB 4.1Å; W16-M61 HydrophobicContact CG-SD 3.86Å; W16-M61 HydrophobicContact CH2-CB 4.19Å; W16-M61 HydrophobicContact CZ2-CB 3.84Å; W16-M61 HydrophobicContact CZ3-CB 4.29Å; W16-M61 HydrophobicContact CZ3-CE 4.36Å; W16-Y75 WeakPolarHBondContact CA-O 3.38Å; W16-C76 HydrophobicContact CD2-CB 4.44Å; W16-C76 HydrophobicContact CE3-CB 3.97Å; W16-C76 HydrophobicContact CH2-CB 4.12Å; W16-C76 HydrophobicContact CZ3-CB 3.8Å
17	V	97.1	Very high	94.4	Very high	5 Å²	5	55 Å²	55	3%	0.03	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	139.8	-174.9	-178.7	0	0	0	0	108.5	L25 E26 Y74 Y75 W87	V17-L25 HydrophobicContact CG1-CB 3.81Å; V17-L25 HydrophobicContact CG1-CD2 3.97Å; V17-L25 HydrophobicContact CG1-CG 4.35Å; V17-E26 CarbonylContact C-O 3.46Å; V17-E26 WeakPolarHBondContact CA-O 3.37Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; V17-Y74 WeakPolarHBondContact O-CA 3.27Å; V17-Y75 PolarHBondContact N-O 3.21Å; V17-Y75 PolarHBondContact O-N 2.87Å; V17-W87 HydrophobicContact CB-CH2 4.06Å; V17-W87 HydrophobicContact CB-CZ3 3.87Å; V17-W87 HydrophobicContact CG1-CH2 4.07Å; V17-W87 HydrophobicContact CG1-CZ3 4.1Å; V17-W87 HydrophobicContact CG2-CH2 3.77Å; V17-W87 HydrophobicContact CG2-CZ3 3.98Å
18	K	96.4	Very high	94.9	Very high	1 Å²	1	52.5 Å²	52.5	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	150.6	169.3	73.5	174.5	-158.9	171.3	0	111.9	E26 I28 F44 D70 A72 I73 Y74	K18-E26 WeakPolarHBondContact CE-OE1 3.39Å; K18-E26 HydrophobicContact CG-CB 3.94Å; K18-E26 PolarHBondContact N-O 2.97Å; K18-E26 PolarHBondContact O-N 3.39Å; K18-I28 HydrophobicContact CB-CD1 4.08Å; K18-I28 HydrophobicContact CG-CD1 4.46Å; K18-I28 HydrophobicContact CG-CG1 4.48Å; K18-F44 HydrophobicContact CD-CE1 3.8Å; K18-F44 HydrophobicContact CD-CZ 3.86Å; K18-F44 HydrophobicContact CG-CE1 4.46Å; K18-F44 HydrophobicContact CG-CZ 4.14Å; K18-D70 IonicContact NZ-OD1 3.21Å; K18-D70 PolarHBondContact NZ-OD1 3.17Å; K18-A72 HydrophobicContact CB-CB 4.01Å; K18-A72 HydrophobicContact CD-CB 4.25Å; K18-A72 HydrophobicContact CG-CB 4.49Å; K18-I73 CarbonylContact C-O 3.52Å; K18-I73 WeakPolarHBondContact CA-O 3.34Å; K18-Y74 HydrophobicContact CB-CD1 3.78Å; K18-Y74 HydrophobicContact CB-CE1 3.74Å; K18-Y74 HydrophobicContact CB-CG 4.33Å; K18-Y74 HydrophobicContact CD-CE1 4.1Å
19	Q	96.9	Very high	95.1	Very high	68 Å²	68	47.8 Å²	47.8	32%	0.318	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.2	172.6	-166.3	179.8	18.4	0	0	109.9	L25 A72 I73 Y75	Q19-L25 HydrophobicContact CB-CD2 3.9Å; Q19-L25 HydrophobicContact CG-CD2 4.07Å; Q19-A72 WeakPolarHBondContact O-CA 3.46Å; Q19-A72 VanDerWaalsContact O-CB 3.32Å; Q19-A72 WeakPolarHBondContact O-CB 3.49Å; Q19-I73 PolarHBondContact N-O 2.87Å; Q19-I73 PolarHBondContact O-N 3.05Å; Q19-Y75 HydrophobicContact CB-CE2 3.82Å; Q19-Y75 PolarHBondContact OE1-OH 3.43Å
20	R	95.1	Very high	95.3	Very high	68 Å²	68	48.2 Å²	48.2	26%	0.257	28%	0.283	S	S	.	.			trans	-84.2	147.6	171	-61.6	179.2	-130.3	-170.3	-4.9	109.8	G22 H23 E26 A72	R20-G22 PolarHBondContact O-N 2.84Å; R20-H23 HydrophobicContact CB-CB 4.06Å; R20-H23 PolarHBondContact O-N 3.1Å; R20-E26 IonicContact CZ-OE1 2.83Å; R20-E26 IonicContact NE-OE1 2.8Å; R20-E26 PolarHBondContact NE-OE1 2.82Å; R20-E26 IonicContact NH2-OE1 2.84Å; R20-E26 PolarHBondContact NH2-OE1 3.47Å; R20-E26 IonicContact NH2-OE2 3.75Å; R20-E26 PolarHBondContact NH2-OE2 3.05Å; R20-A72 HydrophobicContact CG-CB 4.1Å
21	P	90.4	Very high	95.4	Very high	114 Å²	114	45.7 Å²	45.7	74%	0.74	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	125.9	173.7	-25.3	34.3	0	0	0	111.2	H23	P21-H23 VanDerWaalsContact C-N 3.29Å; P21-H23 PolarHBondContact O-CD2 2.95Å; P21-H23 PolarHBondContact O-N 3.43Å
22	G	91.9	Very high	95.6	Very high	90 Å²	90	44.9 Å²	44.9	93%	0.928	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	2.6	-178.7	0	0	0	0	0	115.8	R20	R20-G22 PolarHBondContact O-N 2.84Å
23	H	93.1	Very high	95.8	Very high	117 Å²	117	41.6 Å²	41.6	54%	0.542	24%	0.239	S	C	.	.	S	Bend	trans	-117.1	162.8	177	-64	-93.7	0	0	0	112.3	R20 P21	R20-H23 HydrophobicContact CB-CB 4.06Å; R20-H23 PolarHBondContact O-N 3.1Å; P21-H23 VanDerWaalsContact C-N 3.29Å; P21-H23 PolarHBondContact O-CD2 2.95Å; P21-H23 PolarHBondContact O-N 3.43Å
24	G	93.3	Very high	95.9	Very high	54 Å²	54	41.3 Å²	41.3	56%	0.557	25%	0.253	S	S	*	.			trans	-70.1	175.4	173.4	0	0	0	0	0	113.4
25	L	94.9	Very high	95.9	Very high	100 Å²	100	44.7 Å²	44.7	52%	0.524	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.5	173.9	-64.6	176.6	0	0	0	110.6	V17 Q19 W87	V17-L25 HydrophobicContact CG1-CB 3.81Å; V17-L25 HydrophobicContact CG1-CD2 3.97Å; V17-L25 HydrophobicContact CG1-CG 4.35Å; Q19-L25 HydrophobicContact CB-CD2 3.9Å; Q19-L25 HydrophobicContact CG-CD2 4.07Å; L25-W87 HydrophobicContact CD1-CH2 3.91Å; L25-W87 HydrophobicContact CD1-CZ2 4.42Å; L25-W87 HydrophobicContact CD1-CZ3 4.5Å
26	E	96.1	Very high	95.9	Very high	37 Å²	37	46.4 Å²	46.4	17%	0.173	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114	174.4	-64.2	-175.7	-102.6	0	0	109.5	V17 K18 R20	V17-E26 CarbonylContact C-O 3.46Å; V17-E26 WeakPolarHBondContact CA-O 3.37Å; V17-E26 WeakPolarHBondContact CG1-O 3.49Å; K18-E26 WeakPolarHBondContact CE-OE1 3.39Å; K18-E26 HydrophobicContact CG-CB 3.94Å; K18-E26 PolarHBondContact N-O 2.97Å; K18-E26 PolarHBondContact O-N 3.39Å; R20-E26 IonicContact CZ-OE1 2.83Å; R20-E26 IonicContact NE-OE1 2.8Å; R20-E26 PolarHBondContact NE-OE1 2.82Å; R20-E26 IonicContact NH2-OE1 2.84Å; R20-E26 PolarHBondContact NH2-OE1 3.47Å; R20-E26 IonicContact NH2-OE2 3.75Å; R20-E26 PolarHBondContact NH2-OE2 3.05Å
27	W	96.3	Very high	95.9	Very high	81 Å²	81	48.6 Å²	48.6	31%	0.307	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.5	174.9	-177.7	76.6	0	0	0	111.2	E15 E30 N39 N41	E15-W27 PolarHBondContact OE2-NE1 3.13Å; W27-E30 HydrophobicContact CZ2-CB 4.28Å; W27-E30 HydrophobicContact CZ2-CG 3.97Å; W27-N39 HydrophobicContact CH2-CB 4.11Å; W27-N41 HydrophobicContact CE3-CB 3.64Å; W27-N41 HydrophobicContact CZ3-CB 3.84Å; W27-N41 VanDerWaalsContact CZ3-N 3.3Å; W27-N41 VanDerWaalsContact O-CB 3.26Å; W27-N41 WeakPolarHBondContact O-CB 3.48Å; W27-N41 PolarHBondContact O-ND2 2.83Å
28	I	97.6	Very high	96	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-45.6	-178.7	-55	176.2	0	0	0	110.1	W16 K18 N41 F44 A48 F50 M61 Y74	W16-I28 HydrophobicContact CB-CB 4.12Å; W16-I28 HydrophobicContact CB-CD1 4.31Å; W16-I28 WeakPolarHBondContact O-CB 3.42Å; W16-I28 PolarHBondContact O-N 2.82Å; K18-I28 HydrophobicContact CB-CD1 4.08Å; K18-I28 HydrophobicContact CG-CD1 4.46Å; K18-I28 HydrophobicContact CG-CG1 4.48Å; I28-N41 WeakPolarHBondContact O-CB 3Å; I28-N41 PolarHBondContact O-N 3.48Å; I28-F44 HydrophobicContact CB-CD2 4.3Å; I28-F44 HydrophobicContact CB-CG 4.24Å; I28-F44 HydrophobicContact CG1-CD1 4.29Å; I28-F44 HydrophobicContact CG1-CD2 4.4Å; I28-F44 HydrophobicContact CG1-CE1 4.14Å; I28-F44 HydrophobicContact CG1-CE2 4.23Å; I28-F44 HydrophobicContact CG1-CG 4.4Å; I28-F44 HydrophobicContact CG1-CZ 4.09Å; I28-F44 HydrophobicContact CG2-CB 3.67Å; I28-F44 HydrophobicContact CG2-CD1 3.9Å; I28-F44 HydrophobicContact CG2-CD2 4.19Å; I28-F44 HydrophobicContact CG2-CG 3.66Å; I28-A48 HydrophobicContact CG2-CB 3.89Å; I28-F50 HydrophobicContact CG2-CE1 4.25Å; I28-F50 HydrophobicContact CG2-CZ 3.97Å; I28-M61 HydrophobicContact CD1-CE 4.17Å; I28-M61 HydrophobicContact CD1-SD 3.87Å; I28-M61 HydrophobicContact CG2-SD 4.07Å; I28-Y74 HydrophobicContact CD1-CD1 3.67Å; I28-Y74 HydrophobicContact CD1-CE1 3.69Å
29	G	97.4	Very high	96	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-178.5	-174.9	0	0	0	0	0	112.5	E15 W16 N39	E15-G29 WeakPolarHBondContact CA-O 3.18Å; W16-G29 PolarHBondContact N-O 2.99Å; W16-G29 PolarHBondContact O-N 3.27Å; G29-N39 CarbonylContact C-O 3.57Å; G29-N39 WeakPolarHBondContact CA-O 3.18Å
30	E	97.3	Very high	96	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.051	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.4	-179.7	64.4	178.2	176.7	0	0	112.2	W13 I14 E15 W27 T38 N39 R79	W13-E30 WeakPolarHBondContact CB-OE2 3.4Å; W13-E30 HydrophobicContact CD2-CG 4.22Å; W13-E30 HydrophobicContact CE3-CB 3.94Å; W13-E30 HydrophobicContact CE3-CG 3.42Å; W13-E30 VanDerWaalsContact CE3-CG 3.42Å; W13-E30 HydrophobicContact CZ3-CG 3.79Å; I14-E30 CarbonylContact O-C 3.44Å; I14-E30 WeakPolarHBondContact O-CA 3.26Å; I14-E30 WeakPolarHBondContact O-CB 3.35Å; E15-E30 HydrophobicContact CB-CB 4.34Å; E15-E30 HydrophobicContact CG-CB 3.8Å; W27-E30 HydrophobicContact CZ2-CB 4.28Å; W27-E30 HydrophobicContact CZ2-CG 3.97Å; E30-T38 VanDerWaalsContact O-CA 3.27Å; E30-T38 WeakPolarHBondContact O-CA 3.4Å; E30-N39 HydrophobicContact CG-CB 3.9Å; E30-N39 PolarHBondContact N-O 2.85Å; E30-N39 PolarHBondContact O-N 2.65Å; E30-N39 PolarHBondContact OE1-ND2 2.82Å; E30-R79 IonicContact OE1-NH2 2.97Å; E30-R79 PolarHBondContact OE1-NH2 3.12Å; E30-R79 IonicContact OE2-CZ 2.93Å; E30-R79 IonicContact OE2-NE 3.21Å; E30-R79 PolarHBondContact OE2-NE 3.02Å; E30-R79 IonicContact OE2-NH2 3.19Å; E30-R79 PolarHBondContact OE2-NH2 2.86Å
31	I	97.9	Very high	96.1	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.6	171.4	-175	167.3	0	0	0	110.4	I14 P33 S37 T38 F50 A52 A59	I14-I31 HydrophobicContact CB-CG2 4.19Å; I14-I31 PolarHBondContact N-O 2.86Å; I14-I31 PolarHBondContact O-N 2.78Å; I31-P33 WeakPolarHBondContact O-CD 3.39Å; I31-S37 CarbonylContact C-O 3.58Å; I31-S37 WeakPolarHBondContact CA-O 3.19Å; I31-T38 HydrophobicContact CB-CG2 4Å; I31-T38 HydrophobicContact CD1-CG2 4.01Å; I31-T38 HydrophobicContact CG1-CG2 3.83Å; I31-F50 HydrophobicContact CB-CB 3.97Å; I31-F50 HydrophobicContact CD1-CB 4.16Å; I31-F50 HydrophobicContact CG2-CB 4.29Å; I31-A52 HydrophobicContact CD1-CB 4.06Å; I31-A59 HydrophobicContact CG2-CB 4.36Å
32	L	97.3	Very high	96.3	Very high	37 Å²	37	53.7 Å²	53.7	19%	0.194	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	105.1	167.3	-176.7	59	0	0	0	108.5	W13 G34 S35 G36 S37	W13-L32 HydrophobicContact CD2-CB 3.77Å; W13-L32 HydrophobicContact CD2-CD1 4.39Å; W13-L32 HydrophobicContact CE3-CB 3.66Å; W13-L32 HydrophobicContact CG-CD1 4.4Å; W13-L32 HydrophobicContact CH2-CB 3.67Å; W13-L32 HydrophobicContact CZ2-CB 3.76Å; W13-L32 HydrophobicContact CZ2-CD2 4Å; W13-L32 HydrophobicContact CZ2-CG 4.44Å; W13-L32 HydrophobicContact CZ3-CB 3.62Å; W13-L32 VanDerWaalsContact CZ3-N 3.27Å; L32-G34 PolarHBondContact O-N 2.93Å; L32-S35 PolarHBondContact O-N 3.25Å; L32-G36 WeakPolarHBondContact O-CA 3.13Å; L32-G36 PolarHBondContact O-N 3.36Å; L32-S37 PolarHBondContact N-O 2.91Å
33	P	97.2	Very high	96.3	Very high	10 Å²	10	56.7 Å²	56.7	7%	0.065	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.2	-170.9	-24.6	35.3	0	0	0	114.1	F9 Y12 I14 I31 S35 A52 T54	F9-P33 HydrophobicContact CD1-CB 3.74Å; F9-P33 HydrophobicContact CD1-CG 4.01Å; F9-P33 HydrophobicContact CD2-CG 4.11Å; F9-P33 HydrophobicContact CE1-CB 3.36Å; F9-P33 HydrophobicContact CE1-CG 3.57Å; F9-P33 HydrophobicContact CE2-CB 4.43Å; F9-P33 HydrophobicContact CE2-CG 3.71Å; F9-P33 HydrophobicContact CG-CB 4.42Å; F9-P33 HydrophobicContact CG-CG 4.27Å; F9-P33 HydrophobicContact CZ-CB 3.75Å; F9-P33 HydrophobicContact CZ-CG 3.4Å; Y12-P33 WeakPolarHBondContact O-CD 3.35Å; I14-P33 HydrophobicContact CG1-CG 3.9Å; I31-P33 WeakPolarHBondContact O-CD 3.39Å; P33-S35 VanDerWaalsContact C-N 3.35Å; P33-S35 PolarHBondContact O-N 3.13Å; P33-A52 HydrophobicContact CB-CB 3.74Å; P33-A52 HydrophobicContact CG-CB 4.2Å; P33-T54 HydrophobicContact CB-CG2 4.36Å
34	G	96.8	Very high	96.4	Very high	50 Å²	50	51.5 Å²	51.5	52%	0.515	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-29.5	-179.3	0	0	0	0	0	114.5	T10 L32	T10-G34 VanDerWaalsContact O-CA 3.28Å; T10-G34 WeakPolarHBondContact O-CA 3.34Å; T10-G34 PolarHBondContact O-N 2.97Å; L32-G34 PolarHBondContact O-N 2.93Å
35	S	97.2	Very high	96.3	Very high	72 Å²	72	54.7 Å²	54.7	50%	0.503	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-14.8	179.2	64.2	0	0	0	0	113.7	L32 P33 S37	L32-S35 PolarHBondContact O-N 3.25Å; P33-S35 VanDerWaalsContact C-N 3.35Å; P33-S35 PolarHBondContact O-N 3.13Å; S35-S37 PolarHBondContact O-N 3.28Å; S35-S37 VanDerWaalsContact OG-CB 3.29Å; S35-S37 WeakPolarHBondContact OG-CB 3.4Å; S35-S37 PolarHBondContact OG-N 3.4Å; S35-S37 PolarHBondContact OG-OG 3.47Å
36	G	97	Very high	96.1	Very high	45 Å²	45	53.1 Å²	53.1	46%	0.464	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	7.4	-169	0	0	0	0	0	113.9	L32	L32-G36 WeakPolarHBondContact O-CA 3.13Å; L32-G36 PolarHBondContact O-N 3.36Å
37	S	97.7	Very high	96	Very high	57 Å²	57	54.3 Å²	54.3	40%	0.399	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.7	177.8	-57.6	0	0	0	0	110.1	W13 I31 L32 S35	W13-S37 VanDerWaalsContact CZ3-O 3.27Å; W13-S37 WeakPolarHBondContact CZ3-O 3.2Å; I31-S37 CarbonylContact C-O 3.58Å; I31-S37 WeakPolarHBondContact CA-O 3.19Å; L32-S37 PolarHBondContact N-O 2.91Å; S35-S37 PolarHBondContact O-N 3.28Å; S35-S37 VanDerWaalsContact OG-CB 3.29Å; S35-S37 WeakPolarHBondContact OG-CB 3.4Å; S35-S37 PolarHBondContact OG-N 3.4Å; S35-S37 PolarHBondContact OG-OG 3.47Å
38	T	98	Very high	96.1	Very high	49 Å²	49	50.6 Å²	50.6	30%	0.301	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.6	-178.6	51.1	0	0	0	0	110.9	E30 I31 Y40 F50	E30-T38 VanDerWaalsContact O-CA 3.27Å; E30-T38 WeakPolarHBondContact O-CA 3.4Å; I31-T38 HydrophobicContact CB-CG2 4Å; I31-T38 HydrophobicContact CD1-CG2 4.01Å; I31-T38 HydrophobicContact CG1-CG2 3.83Å; T38-Y40 WeakPolarHBondContact OG1-CE2 3.47Å; T38-F50 HydrophobicContact CG2-CB 4Å; T38-F50 HydrophobicContact CG2-CD2 4.15Å
39	N	97.2	Very high	96.1	Very high	75 Å²	75	53.8 Å²	53.8	40%	0.401	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.3	168.4	-63.3	-45.2	0	0	0	108.8	W27 G29 E30	W27-N39 HydrophobicContact CH2-CB 4.11Å; G29-N39 CarbonylContact C-O 3.57Å; G29-N39 WeakPolarHBondContact CA-O 3.18Å; E30-N39 HydrophobicContact CG-CB 3.9Å; E30-N39 PolarHBondContact N-O 2.85Å; E30-N39 PolarHBondContact O-N 2.65Å; E30-N39 PolarHBondContact OE1-ND2 2.82Å
40	Y	97.4	Very high	96.1	Very high	65 Å²	65	54.2 Å²	54.2	26%	0.255	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	146.8	-177.9	-64.1	-91.9	0	0	0	110.3	T38 A48 F50	T38-Y40 WeakPolarHBondContact OG1-CE2 3.47Å; Y40-A48 VanDerWaalsContact CE1-O 3.24Å; Y40-A48 WeakPolarHBondContact CE1-O 3.44Å; Y40-F50 HydrophobicContact CD1-CD2 4.17Å; Y40-F50 AromaticContact CD1-CE2 3.42Å; Y40-F50 HydrophobicContact CD1-CE2 3.42Å; Y40-F50 VanDerWaalsContact CD1-CE2 3.42Å; Y40-F50 AromaticContact CD1-CZ 3.87Å; Y40-F50 HydrophobicContact CD1-CZ 3.87Å; Y40-F50 AromaticContact CE1-CD2 3.51Å; Y40-F50 HydrophobicContact CE1-CD2 3.51Å; Y40-F50 HydrophobicContact CE1-CE1 4.48Å; Y40-F50 AromaticContact CE1-CE2 3.21Å; Y40-F50 HydrophobicContact CE1-CE2 3.21Å; Y40-F50 HydrophobicContact CE1-CG 4.26Å; Y40-F50 AromaticContact CE1-CZ 3.76Å; Y40-F50 HydrophobicContact CE1-CZ 3.76Å; Y40-F50 HydrophobicContact CG-CE2 4.2Å; Y40-F50 AromaticContact CZ-CD2 3.71Å; Y40-F50 AromaticContact CZ-CE2 3.85Å
41	N	96.4	Very high	96.2	Very high	43 Å²	43	57.3 Å²	57.3	23%	0.23	34%	0.337	C	S	.	.			trans	-72.9	131.1	154.6	-177.4	-29.7	0	0	0	108.2	W27 I28 K43 F44 K45	W27-N41 HydrophobicContact CE3-CB 3.64Å; W27-N41 HydrophobicContact CZ3-CB 3.84Å; W27-N41 VanDerWaalsContact CZ3-N 3.3Å; W27-N41 VanDerWaalsContact O-CB 3.26Å; W27-N41 WeakPolarHBondContact O-CB 3.48Å; W27-N41 PolarHBondContact O-ND2 2.83Å; I28-N41 WeakPolarHBondContact O-CB 3Å; I28-N41 PolarHBondContact O-N 3.48Å; N41-K43 PolarHBondContact O-N 3.26Å; N41-K43 PolarHBondContact OD1-N 2.83Å; N41-F44 HydrophobicContact CB-CD2 3.9Å; N41-F44 PolarHBondContact O-N 3.19Å; N41-K45 PolarHBondContact O-N 3.25Å
42	E	94.9	Very high	96.2	Very high	130 Å²	130	58.8 Å²	58.8	61%	0.607	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-54.6	-29.5	-178.1	-69.1	-62.8	146.1	0	0	112.9	F44 K45	E42-F44 PolarHBondContact O-N 3.43Å; E42-K45 PolarHBondContact O-N 3.05Å; E42-K45 IonicContact OE1-NZ 2.95Å; E42-K45 PolarHBondContact OE1-NZ 2.94Å; E42-K45 WeakPolarHBondContact OE2-CD 3.24Å; E42-K45 IonicContact OE2-NZ 3.51Å; E42-K45 PolarHBondContact OE2-NZ 2.9Å; E42-K45 VanDerWaalsContact OE2-NZ 3.15Å
43	K	92.3	Very high	96.2	Very high	154 Å²	154	59.7 Å²	59.7	67%	0.67	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-62.8	-25.4	174.9	-67.9	-176.4	179	-179.5	0	114.5	N41	N41-K43 PolarHBondContact O-N 3.26Å; N41-K43 PolarHBondContact OD1-N 2.83Å
44	F	93.6	Very high	96.2	Very high	7 Å²	7	62.7 Å²	62.7	3%	0.031	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-111.9	-3.2	-175.2	-61.8	-86.8	0	0	0	112.8	K18 I28 N41 E42 G46 K47 A48	K18-F44 HydrophobicContact CD-CE1 3.8Å; K18-F44 HydrophobicContact CD-CZ 3.86Å; K18-F44 HydrophobicContact CG-CE1 4.46Å; K18-F44 HydrophobicContact CG-CZ 4.14Å; I28-F44 HydrophobicContact CB-CD2 4.3Å; I28-F44 HydrophobicContact CB-CG 4.24Å; I28-F44 HydrophobicContact CG1-CD1 4.29Å; I28-F44 HydrophobicContact CG1-CD2 4.4Å; I28-F44 HydrophobicContact CG1-CE1 4.14Å; I28-F44 HydrophobicContact CG1-CE2 4.23Å; I28-F44 HydrophobicContact CG1-CG 4.4Å; I28-F44 HydrophobicContact CG1-CZ 4.09Å; I28-F44 HydrophobicContact CG2-CB 3.67Å; I28-F44 HydrophobicContact CG2-CD1 3.9Å; I28-F44 HydrophobicContact CG2-CD2 4.19Å; I28-F44 HydrophobicContact CG2-CG 3.66Å; N41-F44 HydrophobicContact CB-CD2 3.9Å; N41-F44 PolarHBondContact O-N 3.19Å; E42-F44 PolarHBondContact O-N 3.43Å; F44-G46 PolarHBondContact O-N 2.88Å; F44-K47 PolarHBondContact O-N 2.84Å; F44-A48 HydrophobicContact CB-CB 4.45Å; F44-A48 PolarHBondContact O-N 3.08Å
45	K	91.4	Very high	96.2	Very high	122 Å²	122	65.2 Å²	65.2	53%	0.53	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-61.6	121.8	174.3	-162.1	175.2	-171.4	173.5	0	109	N41 E42 K47	N41-K45 PolarHBondContact O-N 3.25Å; E42-K45 PolarHBondContact O-N 3.05Å; E42-K45 IonicContact OE1-NZ 2.95Å; E42-K45 PolarHBondContact OE1-NZ 2.94Å; E42-K45 WeakPolarHBondContact OE2-CD 3.24Å; E42-K45 IonicContact OE2-NZ 3.51Å; E42-K45 PolarHBondContact OE2-NZ 2.9Å; E42-K45 VanDerWaalsContact OE2-NZ 3.15Å; K45-K47 VanDerWaalsContact C-N 3.34Å
46	G	91.2	Very high	96.2	Very high	67 Å²	67	63.6 Å²	63.6	69%	0.691	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.7	-13.9	-174.6	0	0	0	0	0	115.5	F44	F44-G46 PolarHBondContact O-N 2.88Å
47	K	94.6	Very high	96.2	Very high	61 Å²	61	64.4 Å²	64.4	27%	0.265	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-33.7	169.5	-75.3	-170.7	168.4	-165.1	0	112.8	F44 K45 L63 S64 D70	F44-K47 PolarHBondContact O-N 2.84Å; K45-K47 VanDerWaalsContact C-N 3.34Å; K47-L63 CarbonylContact O-C 3.56Å; K47-L63 WeakPolarHBondContact O-CA 3.1Å; K47-S64 PolarHBondContact O-N 3Å; K47-S64 PolarHBondContact O-OG 3.15Å; K47-D70 IonicContact NZ-OD1 3.15Å; K47-D70 IonicContact NZ-OD2 3.28Å; K47-D70 PolarHBondContact NZ-OD2 2.87Å
48	A	97.1	Very high	96.2	Very high	3 Å²	3	62.2 Å²	62.2	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139	-179.1	0	0	0	0	0	110.9	I28 Y40 F44 F50 M61 Q62 L63	I28-A48 HydrophobicContact CG2-CB 3.89Å; Y40-A48 VanDerWaalsContact CE1-O 3.24Å; Y40-A48 WeakPolarHBondContact CE1-O 3.44Å; F44-A48 HydrophobicContact CB-CB 4.45Å; F44-A48 PolarHBondContact O-N 3.08Å; A48-F50 HydrophobicContact CB-CE1 3.83Å; A48-F50 HydrophobicContact CB-CZ 4.06Å; A48-M61 HydrophobicContact CB-CG 4.38Å; A48-M61 HydrophobicContact CB-SD 4.45Å; A48-Q62 CarbonylContact C-O 3.6Å; A48-Q62 WeakPolarHBondContact CA-O 3.27Å; A48-L63 HydrophobicContact CB-CD2 4.02Å
49	T	98	Very high	96.2	Very high	67 Å²	67	59.9 Å²	59.9	41%	0.411	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.3	169.4	-60.1	0	0	0	0	108.6	M61 Q62	T49-M61 WeakPolarHBondContact O-CA 3.42Å; T49-Q62 PolarHBondContact N-O 2.88Å; T49-Q62 PolarHBondContact O-N 2.84Å
50	F	98.4	Very high	96.3	Very high	10 Å²	10	60.4 Å²	60.4	4%	0.044	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.8	178.7	-46.5	-46.6	0	0	0	111.7	W16 I28 I31 T38 Y40 A48 Y60 M61	W16-F50 HydrophobicContact CB-CE1 4.32Å; W16-F50 AromaticContact CD1-CD1 3.57Å; W16-F50 AromaticContact CD1-CE1 3.6Å; W16-F50 HydrophobicContact CG-CD1 4.39Å; W16-F50 HydrophobicContact CG-CE1 4.1Å; W16-F50 AromaticContact NE1-CD1 3.86Å; I28-F50 HydrophobicContact CG2-CE1 4.25Å; I28-F50 HydrophobicContact CG2-CZ 3.97Å; I31-F50 HydrophobicContact CB-CB 3.97Å; I31-F50 HydrophobicContact CD1-CB 4.16Å; I31-F50 HydrophobicContact CG2-CB 4.29Å; T38-F50 HydrophobicContact CG2-CB 4Å; T38-F50 HydrophobicContact CG2-CD2 4.15Å; Y40-F50 HydrophobicContact CD1-CD2 4.17Å; Y40-F50 AromaticContact CD1-CE2 3.42Å; Y40-F50 HydrophobicContact CD1-CE2 3.42Å; Y40-F50 VanDerWaalsContact CD1-CE2 3.42Å; Y40-F50 AromaticContact CD1-CZ 3.87Å; Y40-F50 HydrophobicContact CD1-CZ 3.87Å; Y40-F50 AromaticContact CE1-CD2 3.51Å; Y40-F50 HydrophobicContact CE1-CD2 3.51Å; Y40-F50 HydrophobicContact CE1-CE1 4.48Å; Y40-F50 AromaticContact CE1-CE2 3.21Å; Y40-F50 HydrophobicContact CE1-CE2 3.21Å; Y40-F50 HydrophobicContact CE1-CG 4.26Å; Y40-F50 AromaticContact CE1-CZ 3.76Å; Y40-F50 HydrophobicContact CE1-CZ 3.76Å; Y40-F50 HydrophobicContact CG-CE2 4.2Å; Y40-F50 AromaticContact CZ-CD2 3.71Å; Y40-F50 AromaticContact CZ-CE2 3.85Å; A48-F50 HydrophobicContact CB-CE1 3.83Å; A48-F50 HydrophobicContact CB-CZ 4.06Å; F50-Y60 WeakPolarHBondContact CA-O 3.3Å; F50-M61 HydrophobicContact CD1-CB 3.95Å; F50-M61 HydrophobicContact CD1-CG 3.87Å; F50-M61 HydrophobicContact CE1-CB 4.19Å; F50-M61 HydrophobicContact CE1-CG 3.69Å; F50-M61 HydrophobicContact CE1-SD 3.81Å
51	T	98.3	Very high	96.3	Very high	75 Å²	75	58.7 Å²	58.7	46%	0.46	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	165	172.2	63.6	0	0	0	0	110.2	Y60	T51-Y60 PolarHBondContact N-O 2.84Å; T51-Y60 PolarHBondContact O-N 3.19Å; T51-Y60 WeakPolarHBondContact OG1-CB 2.98Å
52	A	98.3	Very high	96.4	Very high	36 Å²	36	63.2 Å²	63.2	30%	0.298	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142.2	176	0	0	0	0	0	111.2	F9 I31 P33 T58	F9-A52 HydrophobicContact CE1-CB 4.17Å; F9-A52 HydrophobicContact CZ-CB 4.2Å; I31-A52 HydrophobicContact CD1-CB 4.06Å; P33-A52 HydrophobicContact CB-CB 3.74Å; P33-A52 HydrophobicContact CG-CB 4.2Å; A52-T58 WeakPolarHBondContact CA-O 3.24Å
53	D	97.9	Very high	96.4	Very high	55 Å²	55	59 Å²	59	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	108.2	168.6	172.9	10.4	0	0	0	108.4	S55 S56 N57 T58 Y60	D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.38Å; D53-S55 PolarHBondContact OD1-N 3.45Å; D53-S55 PolarHBondContact OD1-OG 2.82Å; D53-S55 PolarHBondContact OD2-OG 2.85Å; D53-S56 PolarHBondContact OD1-N 3.08Å; D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.47Å; D53-S56 PolarHBondContact OD2-OG 2.78Å; D53-N57 WeakPolarHBondContact O-CA 3.49Å; D53-N57 PolarHBondContact O-N 2.84Å; D53-T58 PolarHBondContact N-O 2.93Å; D53-T58 PolarHBondContact O-N 2.95Å; D53-Y60 HydrophobicContact CB-CE2 3.97Å
54	T	96.8	Very high	96.5	Very high	73 Å²	73	53.9 Å²	53.9	45%	0.448	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.7	-178	57.3	0	0	0	0	112.6	T10 P33 N57	T10-T54 HydrophobicContact CG2-CG2 3.73Å; P33-T54 HydrophobicContact CB-CG2 4.36Å; T54-N57 PolarHBondContact O-OD1 3.28Å
55	S	96.2	Very high	96.4	Very high	104 Å²	104	58.5 Å²	58.5	73%	0.727	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-36.7	176.5	75.1	0	0	0	0	111.7	D53	D53-S55 VanDerWaalsContact C-N 3.31Å; D53-S55 WeakPolarHBondContact OD1-CB 3.38Å; D53-S55 PolarHBondContact OD1-N 3.45Å; D53-S55 PolarHBondContact OD1-OG 2.82Å; D53-S55 PolarHBondContact OD2-OG 2.85Å
56	S	97.1	Very high	96.4	Very high	37 Å²	37	55.2 Å²	55.2	26%	0.259	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.8	178.1	69.8	0	0	0	0	114.1	D53 T58	D53-S56 PolarHBondContact OD1-N 3.08Å; D53-S56 VanDerWaalsContact OD2-CB 3.24Å; D53-S56 WeakPolarHBondContact OD2-CB 3.47Å; D53-S56 PolarHBondContact OD2-OG 2.78Å; S56-T58 VanDerWaalsContact C-N 3.3Å; S56-T58 PolarHBondContact O-N 2.98Å; S56-T58 PolarHBondContact O-OG1 2.8Å; S56-T58 WeakPolarHBondContact OG-CB 3.11Å; S56-T58 PolarHBondContact OG-OG1 3.23Å; S56-T58 VanDerWaalsContact OG-OG1 3.1Å
57	N	96.9	Very high	96.5	Very high	62 Å²	62	55 Å²	55	33%	0.332	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	43.7	-172.9	-64.6	-43.7	0	0	0	113	A4 F9 D53 T54	A4-N57 HydrophobicContact CB-CB 4.3Å; A4-N57 PolarHBondContact N-O 3.41Å; F9-N57 HydrophobicContact CB-CB 3.9Å; F9-N57 VanDerWaalsContact CB-OD1 3.28Å; F9-N57 WeakPolarHBondContact CB-OD1 3.38Å; F9-N57 HydrophobicContact CD1-CB 4.06Å; F9-N57 HydrophobicContact CG-CB 3.95Å; D53-N57 WeakPolarHBondContact O-CA 3.49Å; D53-N57 PolarHBondContact O-N 2.84Å; T54-N57 PolarHBondContact O-OD1 3.28Å
58	T	98.2	Very high	96.5	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.6	-175.2	-52	0	0	0	0	111.3	C2 F9 A52 D53 S56 Y60	C2-T58 CarbonylContact O-C 3.59Å; C2-T58 WeakPolarHBondContact O-CA 3.19Å; F9-T58 VanDerWaalsContact CZ-C 3.5Å; A52-T58 WeakPolarHBondContact CA-O 3.24Å; D53-T58 PolarHBondContact N-O 2.93Å; D53-T58 PolarHBondContact O-N 2.95Å; S56-T58 VanDerWaalsContact C-N 3.3Å; S56-T58 PolarHBondContact O-N 2.98Å; S56-T58 PolarHBondContact O-OG1 2.8Å; S56-T58 WeakPolarHBondContact OG-CB 3.11Å; S56-T58 PolarHBondContact OG-OG1 3.23Å; S56-T58 VanDerWaalsContact OG-OG1 3.1Å; T58-Y60 HydrophobicContact CG2-CD1 4.47Å; T58-Y60 HydrophobicContact CG2-CD2 4.41Å; T58-Y60 HydrophobicContact CG2-CE1 3.81Å; T58-Y60 HydrophobicContact CG2-CE2 3.75Å; T58-Y60 VanDerWaalsContact CG2-CZ 3.4Å; T58-Y60 WeakPolarHBondContact CG2-OH 2.99Å; T58-Y60 WeakPolarHBondContact O-CE2 3.2Å
59	A	98.1	Very high	96.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	149.5	168.6	0	0	0	0	0	110.4	S1 C2 F9 I14 W16 I31	S1-A59 CarbonylContact C-O 3.54Å; S1-A59 VanDerWaalsContact CA-O 3.27Å; S1-A59 WeakPolarHBondContact CA-O 3.44Å; C2-A59 PolarHBondContact N-O 2.97Å; C2-A59 PolarHBondContact O-N 2.87Å; F9-A59 HydrophobicContact CE2-CB 4.21Å; F9-A59 HydrophobicContact CZ-CB 3.94Å; I14-A59 HydrophobicContact CB-CB 4.17Å; I14-A59 HydrophobicContact CG1-CB 4.27Å; I14-A59 HydrophobicContact CG2-CB 3.82Å; W16-A59 HydrophobicContact CZ2-CB 4.23Å; I31-A59 HydrophobicContact CG2-CB 4.36Å
60	Y	98.4	Very high	95.9	Very high	86 Å²	86	59.3 Å²	59.3	34%	0.337	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.1	179.3	-56.3	-93.2	0	0	0	109.7	S1 F50 T51 D53 T58	S1-Y60 VanDerWaalsContact CB-CD1 3.46Å; F50-Y60 WeakPolarHBondContact CA-O 3.3Å; T51-Y60 PolarHBondContact N-O 2.84Å; T51-Y60 PolarHBondContact O-N 3.19Å; T51-Y60 WeakPolarHBondContact OG1-CB 2.98Å; D53-Y60 HydrophobicContact CB-CE2 3.97Å; T58-Y60 HydrophobicContact CG2-CD1 4.47Å; T58-Y60 HydrophobicContact CG2-CD2 4.41Å; T58-Y60 HydrophobicContact CG2-CE1 3.81Å; T58-Y60 HydrophobicContact CG2-CE2 3.75Å; T58-Y60 VanDerWaalsContact CG2-CZ 3.4Å; T58-Y60 WeakPolarHBondContact CG2-OH 2.99Å; T58-Y60 WeakPolarHBondContact O-CE2 3.2Å
61	M	98.2	Very high	95.8	Very high	30 Å²	30	60.4 Å²	60.4	15%	0.148	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.5	164.5	173.7	178.4	66.7	0	0	106.4	W16 I28 A48 T49 F50 L63 Y74	W16-M61 HydrophobicContact CB-SD 3.81Å; W16-M61 HydrophobicContact CD2-CB 3.66Å; W16-M61 HydrophobicContact CD2-CE 4.2Å; W16-M61 HydrophobicContact CD2-CG 4.44Å; W16-M61 HydrophobicContact CD2-SD 4.05Å; W16-M61 HydrophobicContact CE3-CB 4.04Å; W16-M61 HydrophobicContact CE3-CE 3.79Å; W16-M61 HydrophobicContact CE3-SD 4.25Å; W16-M61 HydrophobicContact CG-CB 4.1Å; W16-M61 HydrophobicContact CG-SD 3.86Å; W16-M61 HydrophobicContact CH2-CB 4.19Å; W16-M61 HydrophobicContact CZ2-CB 3.84Å; W16-M61 HydrophobicContact CZ3-CB 4.29Å; W16-M61 HydrophobicContact CZ3-CE 4.36Å; I28-M61 HydrophobicContact CD1-CE 4.17Å; I28-M61 HydrophobicContact CD1-SD 3.87Å; I28-M61 HydrophobicContact CG2-SD 4.07Å; A48-M61 HydrophobicContact CB-CG 4.38Å; A48-M61 HydrophobicContact CB-SD 4.45Å; T49-M61 WeakPolarHBondContact O-CA 3.42Å; F50-M61 HydrophobicContact CD1-CB 3.95Å; F50-M61 HydrophobicContact CD1-CG 3.87Å; F50-M61 HydrophobicContact CE1-CB 4.19Å; F50-M61 HydrophobicContact CE1-CG 3.69Å; F50-M61 HydrophobicContact CE1-SD 3.81Å; M61-L63 HydrophobicContact CE-CD1 3.94Å; M61-L63 HydrophobicContact CE-CD2 4.28Å; M61-L63 HydrophobicContact CE-CG 4.09Å; M61-L63 HydrophobicContact CG-CD2 4.25Å; M61-L63 HydrophobicContact CG-CG 4.24Å; M61-L63 HydrophobicContact SD-CD2 3.99Å; M61-L63 HydrophobicContact SD-CG 4.32Å; M61-Y74 HydrophobicContact CE-CD1 3.69Å; M61-Y74 HydrophobicContact CE-CE1 4.23Å; M61-Y74 HydrophobicContact CE-CG 4.45Å
62	Q	97.9	Very high	95.8	Very high	137 Å²	137	56.9 Å²	56.9	64%	0.64	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	129	167.9	-176.5	175	1.8	0	0	107.9	A48 T49	A48-Q62 CarbonylContact C-O 3.6Å; A48-Q62 WeakPolarHBondContact CA-O 3.27Å; T49-Q62 PolarHBondContact N-O 2.88Å; T49-Q62 PolarHBondContact O-N 2.84Å
63	L	96.1	Very high	95.8	Very high	42 Å²	42	58 Å²	58	22%	0.22	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	135.8	174	-69	170.1	0	0	0	109.2	K47 A48 M61 L66 Y74	K47-L63 CarbonylContact O-C 3.56Å; K47-L63 WeakPolarHBondContact O-CA 3.1Å; A48-L63 HydrophobicContact CB-CD2 4.02Å; M61-L63 HydrophobicContact CE-CD1 3.94Å; M61-L63 HydrophobicContact CE-CD2 4.28Å; M61-L63 HydrophobicContact CE-CG 4.09Å; M61-L63 HydrophobicContact CG-CD2 4.25Å; M61-L63 HydrophobicContact CG-CG 4.24Å; M61-L63 HydrophobicContact SD-CD2 3.99Å; M61-L63 HydrophobicContact SD-CG 4.32Å; L63-L66 HydrophobicContact CB-CD1 3.99Å; L63-L66 HydrophobicContact CB-CD2 3.88Å; L63-L66 HydrophobicContact CB-CG 4.09Å; L63-L66 HydrophobicContact CD1-CD1 4.38Å; L63-L66 HydrophobicContact CD1-CD2 4.27Å; L63-L66 HydrophobicContact CG-CD2 4.44Å; L63-Y74 HydrophobicContact CD1-CD1 4.21Å; L63-Y74 HydrophobicContact CD1-CE1 3.61Å; L63-Y74 HydrophobicContact CD1-CE2 4.49Å
64	S	94.6	Very high	95.8	Very high	46 Å²	46	56 Å²	56	32%	0.322	32%	0.316	S	S	.	.			trans	-128.3	158	177.3	56.9	0	0	0	0	110.9	K47 L66	K47-S64 PolarHBondContact O-N 3Å; K47-S64 PolarHBondContact O-OG 3.15Å; S64-L66 VanDerWaalsContact C-N 3.26Å; S64-L66 PolarHBondContact O-N 2.97Å
65	S	90.9	Very high	95.8	Very high	104 Å²	104	54.2 Å²	54.2	73%	0.727	30%	0.302	S	S	*	.	S	Bend	trans	52.8	43.1	176.1	-54.2	0	0	0	0	113.5
66	L	92.1	Very high	95.8	Very high	54 Å²	54	50 Å²	50	28%	0.283	27%	0.272	S	S	.	.			trans	-71	141.2	-179.2	-68	-178.2	0	0	0	111.5	L63 S64 D70 V93 V95	L63-L66 HydrophobicContact CB-CD1 3.99Å; L63-L66 HydrophobicContact CB-CD2 3.88Å; L63-L66 HydrophobicContact CB-CG 4.09Å; L63-L66 HydrophobicContact CD1-CD1 4.38Å; L63-L66 HydrophobicContact CD1-CD2 4.27Å; L63-L66 HydrophobicContact CG-CD2 4.44Å; S64-L66 VanDerWaalsContact C-N 3.26Å; S64-L66 PolarHBondContact O-N 2.97Å; L66-D70 HydrophobicContact CB-CB 4.49Å; L66-D70 HydrophobicContact CD2-CB 3.74Å; L66-V93 HydrophobicContact CD1-CG1 4.49Å; L66-V95 HydrophobicContact CB-CG1 4.39Å; L66-V95 HydrophobicContact CB-CG2 3.95Å; L66-V95 HydrophobicContact CD1-CG2 4.07Å
67	T	93	Very high	95.7	Very high	61 Å²	61	48.4 Å²	48.4	37%	0.374	26%	0.261	S	S	.	.			trans	-113.8	172.6	171.8	67.1	0	0	0	0	110.6	E69 D70 V95	T67-E69 PolarHBondContact O-N 2.03Å; T67-D70 PolarHBondContact N-OD2 2.93Å; T67-D70 WeakPolarHBondContact O-CB 3.35Å; T67-D70 PolarHBondContact O-N 2.74Å; T67-V95 WeakPolarHBondContact O-CB 3.46Å; T67-V95 WeakPolarHBondContact O-CG1 3.37Å
68	T	93.4	Very high	95.4	Very high	78 Å²	78	47 Å²	47	48%	0.479	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-56	-32	176.9	51.3	0	0	0	0	112.8	D70 S71 V95 A97	T68-D70 PolarHBondContact O-N 3.3Å; T68-S71 WeakPolarHBondContact O-CB 3.4Å; T68-S71 PolarHBondContact O-N 2.98Å; T68-S71 VanDerWaalsContact O-N 3.13Å; T68-S71 PolarHBondContact O-OG 3.25Å; T68-V95 WeakPolarHBondContact CA-O 3.41Å; T68-A97 HydrophobicContact CG2-CB 4.4Å
69	E	90.6	Very high	94.6	Very high	136 Å²	136	50.9 Å²	50.9	64%	0.636	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-67.2	-15.8	176.1	-60.1	-175	172	0	0	114.2	T67 S71	T67-E69 PolarHBondContact O-N 2.03Å; E69-S71 VanDerWaalsContact C-N 3.3Å
70	D	93.5	Very high	93.4	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.043	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-83.9	-5.9	175.1	-70.2	-48.8	0	0	0	112.6	K18 K47 L66 T67 T68 A72 Y74	K18-D70 IonicContact NZ-OD1 3.21Å; K18-D70 PolarHBondContact NZ-OD1 3.17Å; K47-D70 IonicContact NZ-OD1 3.15Å; K47-D70 IonicContact NZ-OD2 3.28Å; K47-D70 PolarHBondContact NZ-OD2 2.87Å; L66-D70 HydrophobicContact CB-CB 4.49Å; L66-D70 HydrophobicContact CD2-CB 3.74Å; T67-D70 PolarHBondContact N-OD2 2.93Å; T67-D70 WeakPolarHBondContact O-CB 3.35Å; T67-D70 PolarHBondContact O-N 2.74Å; T68-D70 PolarHBondContact O-N 3.3Å; D70-A72 PolarHBondContact O-N 2.86Å; D70-A72 VanDerWaalsContact O-N 3.13Å; D70-Y74 WeakPolarHBondContact O-CE2 3.27Å; D70-Y74 PolarHBondContact O-OH 3.5Å
71	S	95.9	Very high	91.8	Very high	33 Å²	33	55.3 Å²	55.3	23%	0.231	30%	0.3	C	S	.	.			trans	-59.9	117	173.4	-58.6	0	0	0	0	111.3	T68 E69 V93 V95	T68-S71 WeakPolarHBondContact O-CB 3.4Å; T68-S71 PolarHBondContact O-N 2.98Å; T68-S71 VanDerWaalsContact O-N 3.13Å; T68-S71 PolarHBondContact O-OG 3.25Å; E69-S71 VanDerWaalsContact C-N 3.3Å; S71-V93 WeakPolarHBondContact CA-O 3.24Å; S71-V95 PolarHBondContact OG-N 2.92Å; S71-V95 PolarHBondContact OG-O 3.02Å
72	A	97.3	Very high	89.9	Confident	1 Å²	1	65 Å²	65	1%	0.008	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	168.1	-171.8	0	0	0	0	0	111	K18 Q19 R20 D70 Y74 V93	K18-A72 HydrophobicContact CB-CB 4.01Å; K18-A72 HydrophobicContact CD-CB 4.25Å; K18-A72 HydrophobicContact CG-CB 4.49Å; Q19-A72 WeakPolarHBondContact O-CA 3.46Å; Q19-A72 VanDerWaalsContact O-CB 3.32Å; Q19-A72 WeakPolarHBondContact O-CB 3.49Å; R20-A72 HydrophobicContact CG-CB 4.1Å; D70-A72 PolarHBondContact O-N 2.86Å; D70-A72 VanDerWaalsContact O-N 3.13Å; A72-Y74 HydrophobicContact CB-CD2 4.26Å; A72-Y74 HydrophobicContact CB-CE2 3.83Å; A72-Y74 WeakPolarHBondContact O-CD2 3.34Å; A72-V93 PolarHBondContact N-O 3.07Å; A72-V93 VanDerWaalsContact N-O 3.1Å; A72-V93 PolarHBondContact O-N 2.9Å
73	I	98.1	Very high	88.2	Confident	60 Å²	60	62.6 Å²	62.6	31%	0.308	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.6	161	-52.6	174.9	0	0	0	107.8	K18 Q19 Y75 T91 L92	K18-I73 CarbonylContact C-O 3.52Å; K18-I73 WeakPolarHBondContact CA-O 3.34Å; Q19-I73 PolarHBondContact N-O 2.87Å; Q19-I73 PolarHBondContact O-N 3.05Å; I73-Y75 HydrophobicContact CB-CE2 3.78Å; I73-Y75 HydrophobicContact CG2-CD2 4.27Å; I73-Y75 HydrophobicContact CG2-CE1 3.85Å; I73-Y75 HydrophobicContact CG2-CE2 3.55Å; I73-Y75 WeakPolarHBondContact CG2-OH 3.17Å; I73-T91 WeakPolarHBondContact CA-O 3.35Å; I73-L92 HydrophobicContact CG1-CD1 4.3Å
74	Y	98.1	Very high	86.5	Confident	13 Å²	13	65 Å²	65	5%	0.051	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.6	178.4	-72.2	-96.9	0	0	0	110.1	V17 K18 I28 M61 L63 D70 A72 G90 T91 V93	V17-Y74 WeakPolarHBondContact O-CA 3.27Å; K18-Y74 HydrophobicContact CB-CD1 3.78Å; K18-Y74 HydrophobicContact CB-CE1 3.74Å; K18-Y74 HydrophobicContact CB-CG 4.33Å; K18-Y74 HydrophobicContact CD-CE1 4.1Å; I28-Y74 HydrophobicContact CD1-CD1 3.67Å; I28-Y74 HydrophobicContact CD1-CE1 3.69Å; M61-Y74 HydrophobicContact CE-CD1 3.69Å; M61-Y74 HydrophobicContact CE-CE1 4.23Å; M61-Y74 HydrophobicContact CE-CG 4.45Å; L63-Y74 HydrophobicContact CD1-CD1 4.21Å; L63-Y74 HydrophobicContact CD1-CE1 3.61Å; L63-Y74 HydrophobicContact CD1-CE2 4.49Å; D70-Y74 WeakPolarHBondContact O-CE2 3.27Å; D70-Y74 PolarHBondContact O-OH 3.5Å; A72-Y74 HydrophobicContact CB-CD2 4.26Å; A72-Y74 HydrophobicContact CB-CE2 3.83Å; A72-Y74 WeakPolarHBondContact O-CD2 3.34Å; Y74-G90 CarbonylContact O-C 3.47Å; Y74-G90 WeakPolarHBondContact O-CA 3.29Å; Y74-T91 PolarHBondContact N-O 2.96Å; Y74-T91 PolarHBondContact O-N 3.44Å; Y74-V93 HydrophobicContact CD2-CB 3.75Å; Y74-V93 HydrophobicContact CD2-CG2 3.61Å; Y74-V93 HydrophobicContact CE2-CB 3.69Å; Y74-V93 HydrophobicContact CE2-CG1 4.37Å; Y74-V93 HydrophobicContact CE2-CG2 4Å; Y74-V93 HydrophobicContact CG-CG2 4.42Å
75	Y	97.3	Very high	85.2	Confident	36 Å²	36	64.5 Å²	64.5	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.6	-178.5	-57.7	-89.4	0	0	0	110.1	W16 V17 Q19 I73 W87	W16-Y75 WeakPolarHBondContact CA-O 3.38Å; V17-Y75 PolarHBondContact N-O 3.21Å; V17-Y75 PolarHBondContact O-N 2.87Å; Q19-Y75 HydrophobicContact CB-CE2 3.82Å; Q19-Y75 PolarHBondContact OE1-OH 3.43Å; I73-Y75 HydrophobicContact CB-CE2 3.78Å; I73-Y75 HydrophobicContact CG2-CD2 4.27Å; I73-Y75 HydrophobicContact CG2-CE1 3.85Å; I73-Y75 HydrophobicContact CG2-CE2 3.55Å; I73-Y75 WeakPolarHBondContact CG2-OH 3.17Å; Y75-W87 HydrophobicContact CD1-CE3 4.36Å; Y75-W87 HydrophobicContact CG-CE3 4.08Å; Y75-W87 HydrophobicContact CG-CZ3 4.18Å
76	C	96.2	Very high	84.9	Confident	16 Å²	16	66.6 Å²	66.6	11%	0.108	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.7	156.7	63.5	0	0	0	0	109.7	C2 I14 E15 W16 G88	C2-C76 HydrophobicContact CB-CB 3.44Å; C2-C76 VanDerWaalsContact CB-CB 3.44Å; C2-C76 WeakPolarHBondContact CB-SG 3.47Å; C2-C76 WeakPolarHBondContact SG-CB 3.32Å; C2-C76 CovalentContact SG-SG 2.03Å; C2-C76 PolarHBondContact SG-SG 2.84Å; I14-C76 HydrophobicContact CG2-CB 4.44Å; E15-C76 CarbonylContact O-C 3.41Å; E15-C76 WeakPolarHBondContact O-CA 3.28Å; W16-C76 HydrophobicContact CD2-CB 4.44Å; W16-C76 HydrophobicContact CE3-CB 3.97Å; W16-C76 HydrophobicContact CH2-CB 4.12Å; W16-C76 HydrophobicContact CZ3-CB 3.8Å; C76-G88 PolarHBondContact O-N 2.76Å
77	A	94.2	Very high	84.8	Confident	3 Å²	3	68.9 Å²	68.9	3%	0.025	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.1	174.9	0	0	0	0	0	110.8	I14 E15 F84 Y86 W87	I14-A77 CarbonylContact C-O 3.49Å; I14-A77 WeakPolarHBondContact CA-O 3.43Å; E15-A77 PolarHBondContact N-O 3.1Å; E15-A77 PolarHBondContact O-N 3.22Å; A77-F84 HydrophobicContact CB-CD1 4.01Å; A77-Y86 CarbonylContact C-O 3.57Å; A77-Y86 WeakPolarHBondContact CA-O 3.42Å; A77-W87 HydrophobicContact CB-CD2 3.73Å; A77-W87 HydrophobicContact CB-CE3 3.99Å; A77-W87 HydrophobicContact CB-CG 4.12Å; A77-W87 HydrophobicContact CB-CH2 4.43Å; A77-W87 HydrophobicContact CB-CZ2 4.2Å; A77-W87 HydrophobicContact CB-CZ3 4.34Å
78	R	91.8	Very high	84.8	Confident	33 Å²	33	67.3 Å²	67.3	13%	0.125	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.4	170.4	-172.9	-171.2	81.1	-172.3	12	109.3	Y7 Y12 A85 Y86	Y7-R78 HydrophobicContact CE2-CG 4.02Å; Y7-R78 VanDerWaalsContact CG-NH1 3.3Å; Y12-R78 HydrophobicContact CD1-CG 4.31Å; Y12-R78 HydrophobicContact CG-CG 4.12Å; R78-A85 PolarHBondContact O-N 3.33Å; R78-A85 VanDerWaalsContact O-N 3.08Å; R78-Y86 PolarHBondContact N-O 2.82Å
79	R	81.9	Confident	84.9	Confident	91 Å²	91	72.4 Å²	72.4	34%	0.343	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.2	169.4	178.1	167.4	63.5	119.5	-1.3	110.7	Y12 W13 E15 E30	Y12-R79 WeakPolarHBondContact CD1-O 3.46Å; W13-R79 HydrophobicContact CB-CB 4.21Å; W13-R79 VanDerWaalsContact CD1-NH2 3.32Å; W13-R79 PolarHBondContact O-N 3.23Å; E15-R79 HydrophobicContact CG-CB 4.1Å; E15-R79 VanDerWaalsContact OE1-CB 3.24Å; E15-R79 WeakPolarHBondContact OE1-CB 3.37Å; E15-R79 WeakPolarHBondContact OE1-CD 3.41Å; E15-R79 IonicContact OE1-NE 2.87Å; E15-R79 PolarHBondContact OE1-NE 3.46Å; E30-R79 IonicContact OE1-NH2 2.97Å; E30-R79 PolarHBondContact OE1-NH2 3.12Å; E30-R79 IonicContact OE2-CZ 2.93Å; E30-R79 IonicContact OE2-NE 3.21Å; E30-R79 PolarHBondContact OE2-NE 3.02Å; E30-R79 IonicContact OE2-NH2 3.19Å; E30-R79 PolarHBondContact OE2-NH2 2.86Å
80	T	71.8	Confident	85.2	Confident	30 Å²	30	67 Å²	67	18%	0.184	33%	0.331	C	S	.	.			trans	-111.5	172.2	168.7	65	0	0	0	0	109.6	Y12 R82 T83 A85	Y12-T80 HydrophobicContact CD1-CG2 4.26Å; Y12-T80 HydrophobicContact CE1-CG2 4.03Å; T80-R82 PolarHBondContact O-N 2.78Å; T80-T83 PolarHBondContact N-O 2.96Å; T80-T83 PolarHBondContact O-N 2.85Å; T80-T83 PolarHBondContact OG1-N 2.82Å; T80-T83 PolarHBondContact OG1-O 3.05Å; T80-T83 PolarHBondContact OG1-OG1 3.48Å; T80-A85 HydrophobicContact CG2-CB 3.44Å; T80-A85 VanDerWaalsContact CG2-CB 3.44Å
81	V	64.8	Low	85.3	Confident	150 Å²	150	71.2 Å²	71.2	91%	0.909	36%	0.357	S	S	*	.	S	Bend	trans	-54.4	-20.2	-176	-164.3	0	0	0	0	113.6
82	R	59.6	Low	85.4	Confident	234 Å²	234	75.1 Å²	75.1	88%	0.883	38%	0.375	S	S	*	.	S	Bend	trans	-126.9	-20.2	-177.8	-64	-177.9	-179	-94.1	0.4	115.4	T80	T80-R82 PolarHBondContact O-N 2.78Å
83	T	61.2	Low	85.4	Confident	86 Å²	86	77.2 Å²	77.2	53%	0.528	39%	0.387	S	S	.	.	S	Bend	trans	-155.9	162.7	-174.7	59	0	0	0	0	113.8	T80 A85	T80-T83 PolarHBondContact N-O 2.96Å; T80-T83 PolarHBondContact O-N 2.85Å; T80-T83 PolarHBondContact OG1-N 2.82Å; T80-T83 PolarHBondContact OG1-O 3.05Å; T80-T83 PolarHBondContact OG1-OG1 3.48Å; T83-A85 VanDerWaalsContact C-N 3.3Å; T83-A85 PolarHBondContact O-N 3.17Å
84	F	60.2	Low	85.2	Confident	92 Å²	92	79.2 Å²	79.2	40%	0.404	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	86.2	157.2	-67	-78.3	0	0	0	109.1	E15 A77 Y86 W87	E15-F84 HydrophobicContact CB-CE1 4.08Å; E15-F84 HydrophobicContact CG-CE1 3.93Å; E15-F84 WeakPolarHBondContact OE2-CE1 3.28Å; E15-F84 WeakPolarHBondContact OE2-CZ 3.5Å; A77-F84 HydrophobicContact CB-CD1 4.01Å; F84-Y86 VanDerWaalsContact C-N 3.34Å; F84-Y86 PolarHBondContact O-N 3.19Å; F84-W87 HydrophobicContact CB-CZ2 4.21Å; F84-W87 HydrophobicContact CD1-CZ2 4.29Å; F84-W87 HydrophobicContact CD2-CZ2 4.48Å; F84-W87 HydrophobicContact CG-CZ2 4.1Å
85	A	67.5	Low	85	Confident	36 Å²	36	80.1 Å²	80.1	30%	0.298	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-25.5	-166.6	0	0	0	0	0	113	R78 T80 T83	R78-A85 PolarHBondContact O-N 3.33Å; R78-A85 VanDerWaalsContact O-N 3.08Å; T80-A85 HydrophobicContact CG2-CB 3.44Å; T80-A85 VanDerWaalsContact CG2-CB 3.44Å; T83-A85 VanDerWaalsContact C-N 3.3Å; T83-A85 PolarHBondContact O-N 3.17Å
86	Y	83.8	Confident	84.8	Confident	148 Å²	148	83.2 Å²	83.2	58%	0.58	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-146.8	132.6	-175.7	-64	-88.6	0	0	0	111.2	A77 R78 F84	A77-Y86 CarbonylContact C-O 3.57Å; A77-Y86 WeakPolarHBondContact CA-O 3.42Å; R78-Y86 PolarHBondContact N-O 2.82Å; F84-Y86 VanDerWaalsContact C-N 3.34Å; F84-Y86 PolarHBondContact O-N 3.19Å
87	W	91.5	Very high	84.3	Confident	101 Å²	101	86.4 Å²	86.4	38%	0.383	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.7	176.7	-71.3	75.2	0	0	0	110.2	V17 L25 Y75 A77 F84	V17-W87 HydrophobicContact CB-CH2 4.06Å; V17-W87 HydrophobicContact CB-CZ3 3.87Å; V17-W87 HydrophobicContact CG1-CH2 4.07Å; V17-W87 HydrophobicContact CG1-CZ3 4.1Å; V17-W87 HydrophobicContact CG2-CH2 3.77Å; V17-W87 HydrophobicContact CG2-CZ3 3.98Å; L25-W87 HydrophobicContact CD1-CH2 3.91Å; L25-W87 HydrophobicContact CD1-CZ2 4.42Å; L25-W87 HydrophobicContact CD1-CZ3 4.5Å; Y75-W87 HydrophobicContact CD1-CE3 4.36Å; Y75-W87 HydrophobicContact CG-CE3 4.08Å; Y75-W87 HydrophobicContact CG-CZ3 4.18Å; A77-W87 HydrophobicContact CB-CD2 3.73Å; A77-W87 HydrophobicContact CB-CE3 3.99Å; A77-W87 HydrophobicContact CB-CG 4.12Å; A77-W87 HydrophobicContact CB-CH2 4.43Å; A77-W87 HydrophobicContact CB-CZ2 4.2Å; A77-W87 HydrophobicContact CB-CZ3 4.34Å; F84-W87 HydrophobicContact CB-CZ2 4.21Å; F84-W87 HydrophobicContact CD1-CZ2 4.29Å; F84-W87 HydrophobicContact CD2-CZ2 4.48Å; F84-W87 HydrophobicContact CG-CZ2 4.1Å
88	G	93.1	Very high	83.6	Confident	28 Å²	28	95 Å²	95	29%	0.289	50%	0.503	S	S	.	.			trans	-68.7	162.4	163	0	0	0	0	0	111	C76 G90	C76-G88 PolarHBondContact O-N 2.76Å; G88-G90 PolarHBondContact O-N 3.22Å; G88-G90 VanDerWaalsContact O-N 3.08Å
89	Q	94.8	Very high	82.8	Confident	185 Å²	185	98.4 Å²	98.4	86%	0.864	53%	0.532	S	S	*	.			trans	-63.9	-14.9	179.2	-64.3	-60.2	-43.4	0	0	113.8
90	G	95.9	Very high	81.8	Confident	24 Å²	24	101.5 Å²	101.5	25%	0.247	55%	0.55	C	S	.	*			trans	85.6	163.3	-173.9	0	0	0	0	0	112.3	Y74 G88	Y74-G90 CarbonylContact O-C 3.47Å; Y74-G90 WeakPolarHBondContact O-CA 3.29Å; G88-G90 PolarHBondContact O-N 3.22Å; G88-G90 VanDerWaalsContact O-N 3.08Å
91	T	97.4	Very high	81.7	Confident	95 Å²	95	105.8 Å²	105.8	58%	0.583	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-140.3	127.3	175.8	-69.9	0	0	0	0	108.8	I73 Y74 V93	I73-T91 WeakPolarHBondContact CA-O 3.35Å; Y74-T91 PolarHBondContact N-O 2.96Å; Y74-T91 PolarHBondContact O-N 3.44Å; T91-V93 PolarHBondContact O-N 3.34Å
92	L	97.3	Very high	81.6	Confident	116 Å²	116	111.4 Å²	111.4	61%	0.607	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.2	124.1	174.1	179	63.5	0	0	0	109.4	I73	I73-L92 HydrophobicContact CG1-CD1 4.3Å
93	V	96.3	Very high	82.7	Confident	44 Å²	44	105.3 Å²	105.3	27%	0.267	58%	0.58	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.3	124.5	167.6	178.7	0	0	0	0	107.1	L66 S71 A72 Y74 T91 V95	L66-V93 HydrophobicContact CD1-CG1 4.49Å; S71-V93 WeakPolarHBondContact CA-O 3.24Å; A72-V93 PolarHBondContact N-O 3.07Å; A72-V93 VanDerWaalsContact N-O 3.1Å; A72-V93 PolarHBondContact O-N 2.9Å; Y74-V93 HydrophobicContact CD2-CB 3.75Å; Y74-V93 HydrophobicContact CD2-CG2 3.61Å; Y74-V93 HydrophobicContact CE2-CB 3.69Å; Y74-V93 HydrophobicContact CE2-CG1 4.37Å; Y74-V93 HydrophobicContact CE2-CG2 4Å; Y74-V93 HydrophobicContact CG-CG2 4.42Å; T91-V93 PolarHBondContact O-N 3.34Å; V93-V95 HydrophobicContact CG1-CG2 4.41Å
94	T	95.6	Very high	83.8	Confident	102 Å²	102	106.3 Å²	106.3	63%	0.626	58%	0.582	S	S	*	*			trans	-115.5	129.5	177.6	-56.6	0	0	0	0	108.9
95	V	93.6	Very high	85.2	Confident	32 Å²	32	107.1 Å²	107.1	19%	0.194	59%	0.592	C	S	.	*			trans	-119.1	118.6	176.9	-174.7	0	0	0	0	107	L66 T67 T68 S71 V93	L66-V95 HydrophobicContact CB-CG1 4.39Å; L66-V95 HydrophobicContact CB-CG2 3.95Å; L66-V95 HydrophobicContact CD1-CG2 4.07Å; T67-V95 WeakPolarHBondContact O-CB 3.46Å; T67-V95 WeakPolarHBondContact O-CG1 3.37Å; T68-V95 WeakPolarHBondContact CA-O 3.41Å; S71-V95 PolarHBondContact OG-N 2.92Å; S71-V95 PolarHBondContact OG-O 3.02Å; V93-V95 HydrophobicContact CG1-CG2 4.41Å
96	S	91.9	Very high	86.2	Confident	102 Å²	102	111.2 Å²	111.2	71%	0.713	61%	0.61	S	S	*	*			trans	-111.9	146.5	177.1	53.9	0	0	0	0	110.1
97	A	85.4	Confident	86.3	Confident	82 Å²	82	108.9 Å²	108.9	68%	0.678	61%	0.611	S	S	*	*			trans	-67.8	138.9	166.9	0	0	0	0	0	109.2	T68 S99	T68-A97 HydrophobicContact CG2-CB 4.4Å; A97-S99 PolarHBondContact O-N 2.58Å
98	E	80.4	Confident	86	Confident	183 Å²	183	109.5 Å²	109.5	86%	0.855	63%	0.627	S	S	*	*			trans	-80	116.9	169.3	-169	168.9	-161.4	0	0	108.1	Q100	E98-Q100 PolarHBondContact O-N 3.4Å
99	S	74.5	Confident	85.5	Confident	105 Å²	105	115.3 Å²	115.3	73%	0.734	65%	0.651	S	S	*	*			trans	-77	111.3	169	49.7	0	0	0	0	108.2	A97 S101	A97-S99 PolarHBondContact O-N 2.58Å; S99-S101 PolarHBondContact O-N 3.42Å
100	Q	62.3	Low	84.8	Confident	157 Å²	157	109.9 Å²	109.9	73%	0.734	63%	0.634	S	S	*	*			trans	-71.7	114.2	166.6	-69	-176.6	-3.8	0	0	108.1	E98 F102	E98-Q100 PolarHBondContact O-N 3.4Å; Q100-F102 PolarHBondContact O-N 2.62Å
101	S	69.5	Low	83.9	Confident	120 Å²	120	117.1 Å²	117.1	84%	0.839	67%	0.667	S	S	*	*			trans	-69.7	118.7	167.1	-44.3	0	0	0	0	107.8	S99	S99-S101 PolarHBondContact O-N 3.42Å
102	F	62.2	Low	82.6	Confident	267 Å²	267	119.1 Å²	119.1	100%	1.171	67%	0.674	S	S	*	*			trans	-78.3	0	167.5	-73.5	-82.9	0	0	0	111	Q100	Q100-F102 PolarHBondContact O-N 2.62Å

Retrieved 102 of 102 residues in 98.2 ms (Link to these results)

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