X5J568_MOUSE Loading...

IgA heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J568, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 93 aa.

						>X5J568_MOUSE|X5J568
VKLSQSLSLTCTVTGYSITSGYSWHWIRQFPGNKLEWMGYITYDGSNNYNPSLKNRFSITRDTSKNQYYLHLNSVTTEDTATYYCARRFSTTV
					

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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	V	46.4	Very low	79.3	Confident	191 Å²	191	99.6 Å²	99.6	100%	1.158	56%	0.559	S	S	*	*				0	112.7	0	-179.5	0	0	0	0	107.6	L3	V1-L3 PolarHBondContact O-N 3.19Å
2	K	49.1	Very low	80.9	Confident	188 Å²	188	97.8 Å²	97.8	82%	0.817	55%	0.553	S	S	*	*			trans	-71.1	111.6	172.8	-169.9	174.3	-177.3	-179.1	0	106.2	S4	K2-S4 PolarHBondContact O-N 3.24Å
3	L	52.9	Low	82.1	Confident	150 Å²	150	91.9 Å²	91.9	79%	0.785	52%	0.52	S	S	*	.			trans	-53.6	125.7	173.7	-84.7	149.7	0	0	0	107.8	V1 Q5	V1-L3 PolarHBondContact O-N 3.19Å; L3-Q5 PolarHBondContact O-N 3.33Å
4	S	67	Low	83.1	Confident	81 Å²	81	94.1 Å²	94.1	57%	0.566	54%	0.536	S	S	*	.			trans	-58.9	103.4	171.7	47.3	0	0	0	0	108.3	K2	K2-S4 PolarHBondContact O-N 3.24Å
5	Q	85.3	Confident	83.7	Confident	141 Å²	141	93.7 Å²	93.7	66%	0.659	56%	0.561	S	S	*	*			trans	-72.2	140.2	174.9	-73.2	175.8	-19.4	0	0	109	L3 S74 V75	L3-Q5 PolarHBondContact O-N 3.33Å; Q5-S74 PolarHBondContact O-N 2.7Å; Q5-V75 WeakPolarHBondContact O-CG2 3.36Å; Q5-V75 PolarHBondContact O-N 2.8Å
6	S	90.4	Very high	84.1	Confident	90 Å²	90	93.4 Å²	93.4	63%	0.629	55%	0.548	S	S	*	.			trans	-97.1	143.3	169	53.3	0	0	0	0	109.6	L72	S6-L72 CarbonylContact C-O 3.57Å; S6-L72 VanDerWaalsContact CA-O 3.31Å; S6-L72 WeakPolarHBondContact CA-O 3.32Å
7	L	92.3	Very high	84.7	Confident	53 Å²	53	90.6 Å²	90.6	28%	0.277	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.8	172.4	174.7	66.5	0	0	0	108.4	L9 H71 L72 V75 Y83	L7-L9 HydrophobicContact CD1-CD2 3.92Å; L7-L9 HydrophobicContact CD1-CG 4.18Å; L7-L9 HydrophobicContact CD2-CD1 4.18Å; L7-L9 HydrophobicContact CD2-CG 4.2Å; L7-L9 HydrophobicContact CG-CD2 4.36Å; L7-L9 HydrophobicContact CG-CG 4.06Å; L7-H71 WeakPolarHBondContact O-CA 3.35Å; L7-L72 HydrophobicContact CB-CB 4.41Å; L7-L72 PolarHBondContact N-O 3.08Å; L7-L72 PolarHBondContact O-N 3.36Å; L7-V75 HydrophobicContact CB-CG2 3.75Å; L7-Y83 HydrophobicContact CD2-CE2 4.31Å
8	S	95.6	Very high	85.3	Confident	66 Å²	66	85.6 Å²	85.6	46%	0.462	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.2	171.1	-171.4	0	0	0	0	109	L70 H71	S8-L70 CarbonylContact C-O 3.57Å; S8-L70 VanDerWaalsContact CA-O 3.3Å; S8-L70 WeakPolarHBondContact CA-O 3.4Å; S8-H71 PolarHBondContact OG-CE1 2.92Å; S8-H71 PolarHBondContact OG-ND1 2.78Å; S8-H71 VanDerWaalsContact OG-ND1 3.09Å
9	L	97.6	Very high	85.8	Confident	48 Å²	48	84.6 Å²	84.6	25%	0.251	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.5	175.5	-63.2	178.6	0	0	0	110.1	L7 W26 Y69 L70 Y83	L7-L9 HydrophobicContact CD1-CD2 3.92Å; L7-L9 HydrophobicContact CD1-CG 4.18Å; L7-L9 HydrophobicContact CD2-CD1 4.18Å; L7-L9 HydrophobicContact CD2-CG 4.2Å; L7-L9 HydrophobicContact CG-CD2 4.36Å; L7-L9 HydrophobicContact CG-CG 4.06Å; L9-W26 HydrophobicContact CB-CH2 3.74Å; L9-W26 HydrophobicContact CB-CZ2 4.43Å; L9-W26 HydrophobicContact CB-CZ3 4.12Å; L9-W26 HydrophobicContact CD1-CZ3 4.3Å; L9-Y69 CarbonylContact O-C 3.49Å; L9-Y69 VanDerWaalsContact O-CA 3.24Å; L9-Y69 WeakPolarHBondContact O-CA 3.37Å; L9-L70 HydrophobicContact CB-CB 4.35Å; L9-L70 HydrophobicContact CB-CD2 4.27Å; L9-L70 HydrophobicContact CD1-CD2 4.2Å; L9-L70 HydrophobicContact CG-CD2 4.18Å; L9-L70 PolarHBondContact N-O 2.88Å; L9-L70 PolarHBondContact O-N 2.78Å; L9-Y83 VanDerWaalsContact CD1-CB 3.47Å; L9-Y83 HydrophobicContact CD1-CD1 3.89Å; L9-Y83 HydrophobicContact CD1-CD2 3.95Å; L9-Y83 HydrophobicContact CD1-CG 3.49Å; L9-Y83 VanDerWaalsContact CD1-CG 3.49Å
10	T	98.3	Very high	86	Confident	75 Å²	75	82.4 Å²	82.4	46%	0.46	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135	179.3	-58.9	0	0	0	0	109.8	Q67 Y69	T10-Q67 HydrophobicContact CG2-CB 4.39Å; T10-Q67 HydrophobicContact CG2-CG 4.08Å; T10-Y69 HydrophobicContact CG2-CD1 3.84Å; T10-Y69 HydrophobicContact CG2-CE1 3.53Å; T10-Y69 WeakPolarHBondContact OG1-CD1 3.28Å
11	C	97.8	Very high	86.1	Confident	13 Å²	13	79.5 Å²	79.5	9%	0.088	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	117.8	167.7	-155.3	0	0	0	0	110.4	W26 Q67 Y68 C85	C11-W26 HydrophobicContact CB-CH2 4.03Å; C11-W26 HydrophobicContact CB-CZ2 3.91Å; C11-Q67 VanDerWaalsContact O-CA 3.23Å; C11-Q67 WeakPolarHBondContact O-CA 3.5Å; C11-Y68 HydrophobicContact CB-CD1 3.74Å; C11-Y68 HydrophobicContact CB-CD2 4.09Å; C11-Y68 HydrophobicContact CB-CE1 3.39Å; C11-Y68 HydrophobicContact CB-CE2 3.76Å; C11-Y68 HydrophobicContact CB-CG 4.08Å; C11-Y68 VanDerWaalsContact CB-CZ 3.42Å; C11-Y68 WeakPolarHBondContact CB-O 3.35Å; C11-Y68 PolarHBondContact N-O 3.31Å; C11-Y68 PolarHBondContact O-N 2.77Å; C11-Y68 WeakPolarHBondContact SG-CE1 3.49Å; C11-Y68 PolarHBondContact SG-OH 2.86Å; C11-Y68 VanDerWaalsContact SG-OH 3.34Å; C11-C85 HydrophobicContact CB-CB 4.21Å; C11-C85 WeakPolarHBondContact CB-SG 3.31Å; C11-C85 WeakPolarHBondContact SG-CB 3.35Å; C11-C85 CovalentContact SG-SG 2.02Å; C11-C85 PolarHBondContact SG-SG 3.36Å
12	T	97.9	Very high	88.3	Confident	78 Å²	78	72.6 Å²	72.6	48%	0.479	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.4	175	-55.6	0	0	0	0	109.3	T14 Q67	T12-T14 HydrophobicContact CG2-CG2 4.44Å; T12-Q67 HydrophobicContact CG2-CG 4.15Å; T12-Q67 WeakPolarHBondContact OG1-CG 3.49Å; T12-Q67 PolarHBondContact OG1-NE2 2.82Å
13	V	96.4	Very high	90.4	Very high	21 Å²	21	64 Å²	64	13%	0.127	39%	0.393	C	S	.	.			trans	-95.9	134.4	175	-178	0	0	0	0	108.6	Y16 I18 W24 N66 Y68	V13-Y16 WeakPolarHBondContact CG1-O 3.26Å; V13-I18 HydrophobicContact CB-CG2 3.87Å; V13-I18 HydrophobicContact CG2-CG2 3.57Å; V13-W24 HydrophobicContact CG1-CH2 3.94Å; V13-W24 HydrophobicContact CG1-CZ3 4.19Å; V13-W24 HydrophobicContact CG2-CE3 4.09Å; V13-W24 HydrophobicContact CG2-CH2 4.1Å; V13-W24 HydrophobicContact CG2-CZ3 3.73Å; V13-N66 PolarHBondContact N-O 3.18Å; V13-N66 VanDerWaalsContact N-O 3.08Å; V13-N66 PolarHBondContact O-ND2 3.34Å; V13-Y68 HydrophobicContact CG2-CD1 4.37Å; V13-Y68 HydrophobicContact CG2-CE1 4Å
14	T	95.9	Very high	92.5	Very high	122 Å²	122	57.2 Å²	57.2	75%	0.748	36%	0.357	S	S	*	.			trans	-122.3	148.1	176.4	57.3	0	0	0	0	109.6	T12 Y16	T12-T14 HydrophobicContact CG2-CG2 4.44Å; T14-Y16 PolarHBondContact O-N 2.84Å; T14-Y16 VanDerWaalsContact O-N 3.16Å
15	G	92.5	Very high	93.9	Very high	88 Å²	88	54.6 Å²	54.6	91%	0.907	34%	0.336	S	S	*	.	S	Bend	trans	71.2	2.9	-180	0	0	0	0	0	115.8
16	Y	90.2	Very high	94.5	Very high	90 Å²	90	48.1 Å²	48.1	35%	0.353	31%	0.305	S	S	.	.	S	Bend	trans	-156.3	151.8	178.5	-151.4	-104.4	0	0	0	111.5	V13 T14 S20 Y22 W24 N66	V13-Y16 WeakPolarHBondContact CG1-O 3.26Å; T14-Y16 PolarHBondContact O-N 2.84Å; T14-Y16 VanDerWaalsContact O-N 3.16Å; Y16-S20 WeakPolarHBondContact CD1-OG 3.46Å; Y16-S20 WeakPolarHBondContact CE1-OG 3.27Å; Y16-Y22 HydrophobicContact CD1-CD2 4.14Å; Y16-Y22 HydrophobicContact CD1-CE2 4.1Å; Y16-Y22 AromaticContact CE1-CD2 3.36Å; Y16-Y22 HydrophobicContact CE1-CD2 3.36Å; Y16-Y22 AromaticContact CE1-CE2 3.09Å; Y16-Y22 HydrophobicContact CE1-CE2 3.09Å; Y16-Y22 AromaticContact CZ-CE2 3.44Å; Y16-Y22 VanDerWaalsContact CZ-CE2 3.44Å; Y16-Y22 WeakPolarHBondContact OH-CE2 3.35Å; Y16-W24 HydrophobicContact CD1-CH2 4.46Å; Y16-N66 PolarHBondContact O-ND2 2.9Å
17	S	94.3	Very high	94.9	Very high	45 Å²	45	46 Å²	46	32%	0.315	29%	0.286	S	S	.	.			trans	-84.3	143.3	176.5	-178.2	0	0	0	0	112.1	T19 S20 W24 N66	S17-T19 PolarHBondContact O-N 3.12Å; S17-T19 PolarHBondContact OG-N 2.75Å; S17-T19 VanDerWaalsContact OG-N 3.11Å; S17-T19 PolarHBondContact OG-OG1 2.64Å; S17-S20 WeakPolarHBondContact CB-OG 3.32Å; S17-S20 PolarHBondContact O-OG 3.1Å; S17-W24 WeakPolarHBondContact O-CZ2 3.1Å; S17-N66 WeakPolarHBondContact CA-OD1 3.49Å
18	I	95.3	Very high	95.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.5	170.2	64.3	169.8	0	0	0	113.3	V13 W24 R61 T63 N66 Q67 Y68	V13-I18 HydrophobicContact CB-CG2 3.87Å; V13-I18 HydrophobicContact CG2-CG2 3.57Å; I18-W24 HydrophobicContact CB-CZ2 4.2Å; I18-W24 HydrophobicContact CG2-CD2 4.34Å; I18-W24 HydrophobicContact CG2-CZ2 4.1Å; I18-W24 PolarHBondContact O-NE1 2.75Å; I18-R61 HydrophobicContact CD1-CB 4.03Å; I18-T63 HydrophobicContact CD1-CG2 4.21Å; I18-T63 HydrophobicContact CG1-CG2 4.39Å; I18-N66 WeakPolarHBondContact CG2-OD1 3.36Å; I18-N66 PolarHBondContact N-OD1 3.44Å; I18-Q67 VanDerWaalsContact CD1-O 3.27Å; I18-Q67 WeakPolarHBondContact CD1-O 3.16Å; I18-Y68 HydrophobicContact CG2-CD1 4.46Å
19	T	95.2	Very high	95.2	Very high	66 Å²	66	43 Å²	43	41%	0.405	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	6.4	-179	61.4	0	0	0	0	114.2	S17 T63	S17-T19 PolarHBondContact O-N 3.12Å; S17-T19 PolarHBondContact OG-N 2.75Å; S17-T19 VanDerWaalsContact OG-N 3.11Å; S17-T19 PolarHBondContact OG-OG1 2.64Å; T19-T63 HydrophobicContact CG2-CG2 3.48Å; T19-T63 VanDerWaalsContact CG2-CG2 3.48Å
20	S	89.9	Confident	95.1	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	26%	0.259	S	S	.	.	S	Bend	trans	-104.1	66.8	-172.2	40.6	0	0	0	0	114.9	Y16 S17 Y22	Y16-S20 WeakPolarHBondContact CD1-OG 3.46Å; Y16-S20 WeakPolarHBondContact CE1-OG 3.27Å; S17-S20 WeakPolarHBondContact CB-OG 3.32Å; S17-S20 PolarHBondContact O-OG 3.1Å; S20-Y22 WeakPolarHBondContact O-CD2 3.44Å; S20-Y22 WeakPolarHBondContact O-CE2 3.38Å; S20-Y22 PolarHBondContact O-N 3.48Å
21	G	88.1	Confident	95	Very high	23 Å²	23	44.4 Å²	44.4	24%	0.237	27%	0.273	C	S	.	.	S	Bend	trans	77.7	8.1	165.1	0	0	0	0	0	117	Y43 S90	G21-Y43 VanDerWaalsContact CA-CD1 3.42Å; G21-S90 PolarHBondContact O-N 2.98Å
22	Y	91.8	Very high	94.8	Very high	46 Å²	46	47.4 Å²	47.4	18%	0.18	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	164.8	178.4	-63.1	-90.6	0	0	0	112.3	Y16 S20 T42 Y43 R87 R88 F89	Y16-Y22 HydrophobicContact CD1-CD2 4.14Å; Y16-Y22 HydrophobicContact CD1-CE2 4.1Å; Y16-Y22 AromaticContact CE1-CD2 3.36Å; Y16-Y22 HydrophobicContact CE1-CD2 3.36Å; Y16-Y22 AromaticContact CE1-CE2 3.09Å; Y16-Y22 HydrophobicContact CE1-CE2 3.09Å; Y16-Y22 AromaticContact CZ-CE2 3.44Å; Y16-Y22 VanDerWaalsContact CZ-CE2 3.44Å; Y16-Y22 WeakPolarHBondContact OH-CE2 3.35Å; S20-Y22 WeakPolarHBondContact O-CD2 3.44Å; S20-Y22 WeakPolarHBondContact O-CE2 3.38Å; S20-Y22 PolarHBondContact O-N 3.48Å; Y22-T42 CarbonylContact O-C 3.57Å; Y22-Y43 WeakPolarHBondContact O-CB 3.5Å; Y22-Y43 PolarHBondContact O-N 3.38Å; Y22-R87 HydrophobicContact CD1-CG 3.53Å; Y22-R87 HydrophobicContact CE1-CG 4.29Å; Y22-R87 HydrophobicContact CG-CG 3.73Å; Y22-R88 CarbonylContact C-O 3.57Å; Y22-R88 WeakPolarHBondContact CA-O 3.37Å; Y22-R88 WeakPolarHBondContact CB-O 3.25Å; Y22-R88 WeakPolarHBondContact CD1-O 3.43Å; Y22-F89 HydrophobicContact CD1-CB 4.35Å; Y22-F89 HydrophobicContact CD1-CD2 4.31Å; Y22-F89 HydrophobicContact CE1-CB 4.3Å; Y22-F89 AromaticContact CE1-CD2 3.84Å; Y22-F89 HydrophobicContact CE1-CD2 3.84Å
23	S	94.6	Very high	94.5	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145	159.9	56.8	0	0	0	0	111	H25 R88	S23-H25 WeakPolarHBondContact CB-NE2 2.87Å; S23-H25 PolarHBondContact OG-CD2 3.28Å; S23-H25 PolarHBondContact OG-NE2 2.93Å; S23-R88 PolarHBondContact N-O 3.27Å; S23-R88 PolarHBondContact O-N 3.34Å; S23-R88 PolarHBondContact OG-O 3.45Å
24	W	96.3	Very high	94.5	Very high	9 Å²	9	55.5 Å²	55.5	3%	0.034	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.3	-178.4	-54.4	101.3	0	0	0	108.5	V13 Y16 S17 I18 Y40 I41 Y68 A86 R87	V13-W24 HydrophobicContact CG1-CH2 3.94Å; V13-W24 HydrophobicContact CG1-CZ3 4.19Å; V13-W24 HydrophobicContact CG2-CE3 4.09Å; V13-W24 HydrophobicContact CG2-CH2 4.1Å; V13-W24 HydrophobicContact CG2-CZ3 3.73Å; Y16-W24 HydrophobicContact CD1-CH2 4.46Å; S17-W24 WeakPolarHBondContact O-CZ2 3.1Å; I18-W24 HydrophobicContact CB-CZ2 4.2Å; I18-W24 HydrophobicContact CG2-CD2 4.34Å; I18-W24 HydrophobicContact CG2-CZ2 4.1Å; I18-W24 PolarHBondContact O-NE1 2.75Å; W24-Y40 CarbonylContact O-C 3.54Å; W24-Y40 WeakPolarHBondContact O-CA 3.41Å; W24-Y40 WeakPolarHBondContact O-CB 3.11Å; W24-I41 HydrophobicContact CB-CG2 4.11Å; W24-I41 PolarHBondContact N-O 2.89Å; W24-I41 PolarHBondContact O-N 2.67Å; W24-Y68 HydrophobicContact CB-CD1 3.96Å; W24-Y68 HydrophobicContact CB-CD2 4.05Å; W24-Y68 HydrophobicContact CB-CE1 3.8Å; W24-Y68 HydrophobicContact CB-CE2 3.9Å; W24-Y68 HydrophobicContact CB-CG 4.07Å; W24-Y68 HydrophobicContact CD2-CD1 4.46Å; W24-Y68 HydrophobicContact CD2-CE1 4.13Å; W24-Y68 AromaticContact CE3-CE1 3.87Å; W24-Y68 HydrophobicContact CE3-CE1 3.87Å; W24-Y68 HydrophobicContact CG-CD1 4.16Å; W24-Y68 HydrophobicContact CG-CE1 4.1Å; W24-A86 WeakPolarHBondContact CA-O 3.42Å; W24-R87 HydrophobicContact CE3-CB 4.05Å; W24-R87 HydrophobicContact CE3-CG 4.13Å; W24-R87 HydrophobicContact CH2-CB 4.37Å; W24-R87 HydrophobicContact CH2-CG 3.79Å; W24-R87 HydrophobicContact CZ2-CG 4.47Å; W24-R87 HydrophobicContact CZ3-CB 3.67Å; W24-R87 HydrophobicContact CZ3-CG 3.58Å
25	H	96.9	Very high	94.5	Very high	25 Å²	25	54.9 Å²	54.9	12%	0.116	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.4	-169.7	-68.1	-111.3	0	0	0	110.9	S23 W37 G39 Y40 A86	S23-H25 WeakPolarHBondContact CB-NE2 2.87Å; S23-H25 PolarHBondContact OG-CD2 3.28Å; S23-H25 PolarHBondContact OG-NE2 2.93Å; H25-W37 AromaticContact ND1-CD1 3.71Å; H25-W37 AromaticContact ND1-NE1 3.2Å; H25-W37 PolarHBondContact ND1-NE1 3.34Å; H25-W37 VanDerWaalsContact ND1-NE1 3.2Å; H25-G39 WeakPolarHBondContact CA-O 3.42Å; H25-Y40 AromaticContact CE1-CD1 3.7Å; H25-Y40 AromaticContact CE1-CG 3.86Å; H25-A86 HydrophobicContact CB-CB 4.18Å; H25-A86 PolarHBondContact N-O 3.07Å; H25-A86 PolarHBondContact O-N 3.49Å
26	W	97.9	Very high	94.7	Very high	5 Å²	5	52.5 Å²	52.5	2%	0.019	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130	163.8	-74.4	102.4	0	0	0	109.8	L9 C11 M38 G39 F57 Y68 Y69 L70	L9-W26 HydrophobicContact CB-CH2 3.74Å; L9-W26 HydrophobicContact CB-CZ2 4.43Å; L9-W26 HydrophobicContact CB-CZ3 4.12Å; L9-W26 HydrophobicContact CD1-CZ3 4.3Å; C11-W26 HydrophobicContact CB-CH2 4.03Å; C11-W26 HydrophobicContact CB-CZ2 3.91Å; W26-M38 HydrophobicContact CB-CB 4.14Å; W26-M38 HydrophobicContact CB-SD 4.42Å; W26-M38 PolarHBondContact O-N 2.83Å; W26-G39 PolarHBondContact N-O 2.66Å; W26-F57 HydrophobicContact CB-CZ 4.25Å; W26-Y68 HydrophobicContact CD2-CE2 4.34Å; W26-Y68 AromaticContact CE2-CD2 3.87Å; W26-Y68 AromaticContact CE2-CE2 3.68Å; W26-Y68 HydrophobicContact CZ2-CD2 4.14Å; W26-Y68 HydrophobicContact CZ2-CE2 4.02Å; W26-Y68 AromaticContact NE1-CD2 3.38Å; W26-Y68 AromaticContact NE1-CE2 3.49Å; W26-Y69 PolarHBondContact NE1-O 3.34Å; W26-L70 HydrophobicContact CB-CD1 4.13Å; W26-L70 HydrophobicContact CD2-CB 3.68Å; W26-L70 HydrophobicContact CD2-CD1 3.83Å; W26-L70 HydrophobicContact CD2-CG 4.45Å; W26-L70 VanDerWaalsContact CE2-CB 3.41Å; W26-L70 HydrophobicContact CE3-CB 4.23Å; W26-L70 HydrophobicContact CE3-CD1 3.95Å; W26-L70 HydrophobicContact CG-CB 4.03Å; W26-L70 HydrophobicContact CG-CD1 3.92Å; W26-L70 HydrophobicContact CH2-CB 4.29Å; W26-L70 HydrophobicContact CZ2-CB 3.75Å
27	I	97.4	Very high	95	Very high	45 Å²	45	52.4 Å²	52.4	23%	0.231	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	137.6	177.8	-56.8	169.4	0	0	0	106.9	L35 E36 Y84 A86	I27-L35 HydrophobicContact CG2-CB 4.38Å; I27-L35 HydrophobicContact CG2-CD2 4.03Å; I27-E36 WeakPolarHBondContact CA-O 2.87Å; I27-Y84 PolarHBondContact N-O 3.34Å; I27-Y84 PolarHBondContact O-N 2.99Å; I27-A86 HydrophobicContact CD1-CB 3.88Å
28	R	96.7	Very high	95.1	Very high	15 Å²	15	50.3 Å²	50.3	6%	0.057	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.9	170.5	67.1	-178.9	177.6	172.4	8.4	111.3	F30 L35 E36 M38 D79 A81 T82 Y83	R28-F30 HydrophobicContact CG-CE2 4.24Å; R28-F30 HydrophobicContact CG-CZ 4.17Å; R28-L35 WeakPolarHBondContact O-CA 3.4Å; R28-E36 HydrophobicContact CG-CB 4.13Å; R28-E36 IonicContact CZ-OE2 3.07Å; R28-E36 PolarHBondContact N-O 2.93Å; R28-E36 IonicContact NE-OE2 2.66Å; R28-E36 PolarHBondContact NE-OE2 2.98Å; R28-E36 IonicContact NH2-OE2 2.67Å; R28-E36 PolarHBondContact NH2-OE2 3.23Å; R28-E36 PolarHBondContact O-N 3.19Å; R28-M38 HydrophobicContact CB-CG 4.47Å; R28-M38 HydrophobicContact CB-SD 3.93Å; R28-M38 HydrophobicContact CG-CG 4.04Å; R28-M38 HydrophobicContact CG-SD 3.94Å; R28-D79 IonicContact CZ-OD1 3.78Å; R28-D79 IonicContact NH1-OD1 2.75Å; R28-D79 PolarHBondContact NH1-OD1 3.06Å; R28-D79 IonicContact NH2-OD1 3.94Å; R28-A81 HydrophobicContact CB-CB 3.83Å; R28-A81 HydrophobicContact CG-CB 4.29Å; R28-T82 CarbonylContact C-O 3.5Å; R28-T82 VanDerWaalsContact CA-O 3.27Å; R28-T82 WeakPolarHBondContact CA-O 3.27Å; R28-Y83 HydrophobicContact CB-CD1 3.9Å; R28-Y83 HydrophobicContact CB-CE1 3.89Å; R28-Y83 HydrophobicContact CB-CG 4.39Å
29	Q	97.8	Very high	95.1	Very high	41 Å²	41	50.2 Å²	50.2	19%	0.192	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118	178.8	-171.4	-178	30.6	0	0	109.7	N33 K34 L35 A81 T82 Y84	Q29-N33 PolarHBondContact NE2-OD1 2.92Å; Q29-K34 WeakPolarHBondContact CA-O 3.43Å; Q29-L35 HydrophobicContact CB-CD2 3.64Å; Q29-L35 HydrophobicContact CG-CD2 3.72Å; Q29-A81 CarbonylContact O-C 3.59Å; Q29-A81 WeakPolarHBondContact O-CA 3.5Å; Q29-A81 WeakPolarHBondContact O-CB 3.4Å; Q29-T82 PolarHBondContact N-O 2.99Å; Q29-T82 PolarHBondContact O-N 3.2Å; Q29-Y84 HydrophobicContact CB-CD2 4.25Å; Q29-Y84 HydrophobicContact CB-CE2 3.59Å; Q29-Y84 HydrophobicContact CG-CE2 4.49Å; Q29-Y84 PolarHBondContact OE1-OH 3.1Å
30	F	96.6	Very high	95.2	Very high	39 Å²	39	50.2 Å²	50.2	17%	0.171	27%	0.272	C	S	.	.			trans	-79.9	160.5	176.5	-64.1	-73.9	0	0	0	111.5	R28 G32 N33 K34 E36 E78 A81	R28-F30 HydrophobicContact CG-CE2 4.24Å; R28-F30 HydrophobicContact CG-CZ 4.17Å; F30-G32 PolarHBondContact O-N 3.01Å; F30-N33 PolarHBondContact O-N 3.28Å; F30-N33 VanDerWaalsContact O-N 3.08Å; F30-K34 HydrophobicContact CB-CB 4.47Å; F30-K34 PolarHBondContact N-O 3.48Å; F30-E36 HydrophobicContact CE2-CB 3.91Å; F30-E78 VanDerWaalsContact CE1-O 3.26Å; F30-E78 WeakPolarHBondContact CE1-O 3.42Å; F30-A81 HydrophobicContact CD1-CB 3.94Å; F30-A81 HydrophobicContact CE1-CB 4.07Å
31	P	94.8	Very high	95.5	Very high	115 Å²	115	48.7 Å²	48.7	75%	0.747	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	134.5	162.7	-25.3	34.8	0	0	0	110.6
32	G	94.7	Very high	95.8	Very high	75 Å²	75	48 Å²	48	77%	0.773	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	14.2	-172.2	0	0	0	0	0	115	F30 K34	F30-G32 PolarHBondContact O-N 3.01Å; G32-K34 PolarHBondContact O-N 3.1Å
33	N	92.1	Very high	95.9	Very high	125 Å²	125	49.6 Å²	49.6	67%	0.668	26%	0.258	S	S	*	.	S	Bend	trans	65.8	13.4	171.7	-60.3	-49.4	0	0	0	116.2	Q29 F30 L35	Q29-N33 PolarHBondContact NE2-OD1 2.92Å; F30-N33 PolarHBondContact O-N 3.28Å; F30-N33 VanDerWaalsContact O-N 3.08Å; N33-L35 PolarHBondContact O-N 2.94Å
34	K	94.9	Very high	95.9	Very high	144 Å²	144	53.3 Å²	53.3	63%	0.626	28%	0.278	S	S	*	.			trans	-70.2	121.5	172.6	-177.1	-177.3	176.4	-173.7	0	109.9	Q29 F30 G32	Q29-K34 WeakPolarHBondContact CA-O 3.43Å; F30-K34 HydrophobicContact CB-CB 4.47Å; F30-K34 PolarHBondContact N-O 3.48Å; G32-K34 PolarHBondContact O-N 3.1Å
35	L	96.1	Very high	95.8	Very high	110 Å²	110	53.9 Å²	53.9	58%	0.576	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	138.8	174.6	-65.1	171.5	0	0	0	110.8	I27 R28 Q29 N33	I27-L35 HydrophobicContact CG2-CB 4.38Å; I27-L35 HydrophobicContact CG2-CD2 4.03Å; R28-L35 WeakPolarHBondContact O-CA 3.4Å; Q29-L35 HydrophobicContact CB-CD2 3.64Å; Q29-L35 HydrophobicContact CG-CD2 3.72Å; N33-L35 PolarHBondContact O-N 2.94Å
36	E	96.4	Very high	95.6	Very high	38 Å²	38	55.8 Å²	55.8	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.2	170.4	-177.4	176.7	-125.5	0	0	109.7	I27 R28 F30	I27-E36 WeakPolarHBondContact CA-O 2.87Å; R28-E36 HydrophobicContact CG-CB 4.13Å; R28-E36 IonicContact CZ-OE2 3.07Å; R28-E36 PolarHBondContact N-O 2.93Å; R28-E36 IonicContact NE-OE2 2.66Å; R28-E36 PolarHBondContact NE-OE2 2.98Å; R28-E36 IonicContact NH2-OE2 2.67Å; R28-E36 PolarHBondContact NH2-OE2 3.23Å; R28-E36 PolarHBondContact O-N 3.19Å; F30-E36 HydrophobicContact CE2-CB 3.91Å
37	W	96.6	Very high	95.4	Very high	88 Å²	88	59 Å²	59	33%	0.333	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	130.7	169.1	172.4	72	0	0	0	109.5	H25 G39 Y40 N48 N50	H25-W37 AromaticContact ND1-CD1 3.71Å; H25-W37 AromaticContact ND1-NE1 3.2Å; H25-W37 PolarHBondContact ND1-NE1 3.34Å; H25-W37 VanDerWaalsContact ND1-NE1 3.2Å; W37-G39 VanDerWaalsContact CE2-CA 3.4Å; W37-G39 VanDerWaalsContact NE1-C 3.26Å; W37-G39 PolarHBondContact NE1-O 2.02Å; W37-Y40 AromaticContact CZ2-CD1 3.57Å; W37-Y40 HydrophobicContact CZ2-CD1 3.57Å; W37-Y40 HydrophobicContact CZ2-CE1 4.14Å; W37-N48 HydrophobicContact CH2-CB 4.44Å; W37-N50 HydrophobicContact CE3-CB 4.08Å; W37-N50 HydrophobicContact CZ3-CB 4.1Å; W37-N50 WeakPolarHBondContact O-CB 3.46Å; W37-N50 PolarHBondContact O-ND2 3.09Å
38	M	96.7	Very high	95.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-41.5	-177.4	-57.2	-176.5	71.5	0	0	112.3	W26 R28 N50 L53 F57 L70 Y83	W26-M38 HydrophobicContact CB-CB 4.14Å; W26-M38 HydrophobicContact CB-SD 4.42Å; W26-M38 PolarHBondContact O-N 2.83Å; R28-M38 HydrophobicContact CB-CG 4.47Å; R28-M38 HydrophobicContact CB-SD 3.93Å; R28-M38 HydrophobicContact CG-CG 4.04Å; R28-M38 HydrophobicContact CG-SD 3.94Å; M38-N50 WeakPolarHBondContact O-CB 3.35Å; M38-N50 PolarHBondContact O-N 2.96Å; M38-L53 HydrophobicContact CB-CD1 3.73Å; M38-L53 HydrophobicContact CE-CD1 3.7Å; M38-L53 HydrophobicContact CG-CD1 3.79Å; M38-F57 VanDerWaalsContact C-CE1 3.46Å; M38-F57 HydrophobicContact CB-CE1 3.97Å; M38-F57 HydrophobicContact CB-CE2 4.04Å; M38-F57 HydrophobicContact CB-CZ 3.63Å; M38-F57 HydrophobicContact CE-CD2 3.81Å; M38-F57 HydrophobicContact CE-CE2 3.86Å; M38-F57 WeakPolarHBondContact O-CE1 3.3Å; M38-L70 HydrophobicContact CE-CD1 3.75Å; M38-L70 HydrophobicContact SD-CD1 3.7Å; M38-Y83 HydrophobicContact CE-CE1 3.86Å; M38-Y83 HydrophobicContact SD-CD1 3.76Å; M38-Y83 HydrophobicContact SD-CE1 3.6Å
39	G	96.3	Very high	95.2	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-180	-179	0	0	0	0	0	112.7	H25 W26 W37 N48	H25-G39 WeakPolarHBondContact CA-O 3.42Å; W26-G39 PolarHBondContact N-O 2.66Å; W37-G39 VanDerWaalsContact CE2-CA 3.4Å; W37-G39 VanDerWaalsContact NE1-C 3.26Å; W37-G39 PolarHBondContact NE1-O 2.02Å; G39-N48 CarbonylContact C-O 3.56Å; G39-N48 WeakPolarHBondContact CA-O 3.46Å
40	Y	96.3	Very high	95.1	Very high	66 Å²	66	62.6 Å²	62.6	26%	0.259	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.7	168	69.9	-103.3	0	0	0	112.5	W24 H25 W37 T42 N47 N48 I59	W24-Y40 CarbonylContact O-C 3.54Å; W24-Y40 WeakPolarHBondContact O-CA 3.41Å; W24-Y40 WeakPolarHBondContact O-CB 3.11Å; H25-Y40 AromaticContact CE1-CD1 3.7Å; H25-Y40 AromaticContact CE1-CG 3.86Å; W37-Y40 AromaticContact CZ2-CD1 3.57Å; W37-Y40 HydrophobicContact CZ2-CD1 3.57Å; W37-Y40 HydrophobicContact CZ2-CE1 4.14Å; Y40-T42 HydrophobicContact CD2-CG2 3.88Å; Y40-T42 HydrophobicContact CE2-CG2 3.64Å; Y40-N47 WeakPolarHBondContact O-CA 3.08Å; Y40-N47 VanDerWaalsContact O-CB 3.24Å; Y40-N47 WeakPolarHBondContact O-CB 3.11Å; Y40-N48 HydrophobicContact CD1-CB 4.29Å; Y40-N48 HydrophobicContact CE1-CB 3.6Å; Y40-N48 HydrophobicContact CE2-CB 4.34Å; Y40-N48 PolarHBondContact N-O 2.96Å; Y40-N48 PolarHBondContact O-N 2.8Å; Y40-N48 VanDerWaalsContact O-N 3.16Å; Y40-I59 VanDerWaalsContact N-CD1 3.29Å
41	I	96.3	Very high	94.9	Very high	7 Å²	7	65.7 Å²	65.7	4%	0.036	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.8	162.2	-169.5	164.6	0	0	0	109.3	W24 S46 N47 I59 R61	W24-I41 HydrophobicContact CB-CG2 4.11Å; W24-I41 PolarHBondContact N-O 2.89Å; W24-I41 PolarHBondContact O-N 2.67Å; I41-S46 CarbonylContact C-O 3.55Å; I41-S46 WeakPolarHBondContact CA-O 3.43Å; I41-N47 HydrophobicContact CB-CB 4.43Å; I41-N47 HydrophobicContact CG1-CB 4.41Å; I41-I59 HydrophobicContact CB-CG2 3.76Å; I41-I59 HydrophobicContact CG2-CG2 3.57Å; I41-R61 HydrophobicContact CD1-CB 4.15Å; I41-R61 HydrophobicContact CD1-CG 3.85Å
42	T	95.4	Very high	94.7	Very high	9 Å²	9	64.9 Å²	64.9	6%	0.055	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	167.9	178.3	42.2	0	0	0	0	111.6	Y22 Y40 D44 G45 S46 R61	Y22-T42 CarbonylContact O-C 3.57Å; Y40-T42 HydrophobicContact CD2-CG2 3.88Å; Y40-T42 HydrophobicContact CE2-CG2 3.64Å; T42-D44 WeakPolarHBondContact CB-OD1 3.46Å; T42-D44 PolarHBondContact O-N 3.22Å; T42-D44 PolarHBondContact OG1-OD1 3.42Å; T42-G45 PolarHBondContact O-N 3.21Å; T42-S46 PolarHBondContact N-O 3.04Å; T42-S46 WeakPolarHBondContact OG1-CA 2.78Å; T42-S46 VanDerWaalsContact OG1-CB 3.25Å; T42-S46 WeakPolarHBondContact OG1-CB 3.35Å; T42-S46 PolarHBondContact OG1-N 3.06Å; T42-S46 PolarHBondContact OG1-O 2.82Å; T42-R61 PolarHBondContact O-NH1 2.86Å
43	Y	93.5	Very high	94.6	Very high	80 Å²	80	61.4 Å²	61.4	31%	0.314	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.2	178.6	73.5	-87.1	0	0	0	113.9	G21 Y22 R61	G21-Y43 VanDerWaalsContact CA-CD1 3.42Å; Y22-Y43 WeakPolarHBondContact O-CB 3.5Å; Y22-Y43 PolarHBondContact O-N 3.38Å; Y43-R61 PolarHBondContact O-NH1 2.79Å
44	D	93.7	Very high	93.9	Very high	83 Å²	83	62.4 Å²	62.4	44%	0.444	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-19	174.5	67.8	-17.6	0	0	0	112.5	T42 S46 R61	T42-D44 WeakPolarHBondContact CB-OD1 3.46Å; T42-D44 PolarHBondContact O-N 3.22Å; T42-D44 PolarHBondContact OG1-OD1 3.42Å; D44-S46 PolarHBondContact OD1-N 3.26Å; D44-S46 VanDerWaalsContact OD1-N 3.1Å; D44-S46 PolarHBondContact OD1-OG 2.75Å; D44-S46 PolarHBondContact OD2-OG 3.42Å; D44-R61 PolarHBondContact O-NH2 2.85Å
45	G	93.7	Very high	93.7	Very high	22 Å²	22	62.7 Å²	62.7	23%	0.227	33%	0.329	C	S	.	.	S	Bend	trans	108.8	-2.9	176.9	0	0	0	0	0	114.1	T42	T42-G45 PolarHBondContact O-N 3.21Å
46	S	94.3	Very high	93.5	Very high	65 Å²	65	60.6 Å²	60.6	46%	0.455	31%	0.314	S	S	.	.			trans	-60.3	143.2	170.6	-54.6	0	0	0	0	109.8	I41 T42 D44	I41-S46 CarbonylContact C-O 3.55Å; I41-S46 WeakPolarHBondContact CA-O 3.43Å; T42-S46 PolarHBondContact N-O 3.04Å; T42-S46 WeakPolarHBondContact OG1-CA 2.78Å; T42-S46 VanDerWaalsContact OG1-CB 3.25Å; T42-S46 WeakPolarHBondContact OG1-CB 3.35Å; T42-S46 PolarHBondContact OG1-N 3.06Å; T42-S46 PolarHBondContact OG1-O 2.82Å; D44-S46 PolarHBondContact OD1-N 3.26Å; D44-S46 VanDerWaalsContact OD1-N 3.1Å; D44-S46 PolarHBondContact OD1-OG 2.75Å; D44-S46 PolarHBondContact OD2-OG 3.42Å
47	N	93.9	Very high	93.4	Very high	73 Å²	73	59.4 Å²	59.4	39%	0.39	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157.2	-179.1	59.3	58.5	0	0	0	111.4	Y40 I41 Y49	Y40-N47 WeakPolarHBondContact O-CA 3.08Å; Y40-N47 VanDerWaalsContact O-CB 3.24Å; Y40-N47 WeakPolarHBondContact O-CB 3.11Å; I41-N47 HydrophobicContact CB-CB 4.43Å; I41-N47 HydrophobicContact CG1-CB 4.41Å; N47-Y49 HydrophobicContact CB-CE1 4.34Å; N47-Y49 PolarHBondContact ND2-OH 2.92Å; N47-Y49 WeakPolarHBondContact OD1-CE2 3.38Å; N47-Y49 VanDerWaalsContact OD1-CZ 3.27Å; N47-Y49 PolarHBondContact OD1-OH 3.42Å; N47-Y49 VanDerWaalsContact OD1-OH 3.06Å
48	N	94.4	Very high	93.4	Very high	82 Å²	82	57.1 Å²	57.1	44%	0.439	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151	172.9	-158.8	-27.9	0	0	0	109.1	W37 G39 Y40	W37-N48 HydrophobicContact CH2-CB 4.44Å; G39-N48 CarbonylContact C-O 3.56Å; G39-N48 WeakPolarHBondContact CA-O 3.46Å; Y40-N48 HydrophobicContact CD1-CB 4.29Å; Y40-N48 HydrophobicContact CE1-CB 3.6Å; Y40-N48 HydrophobicContact CE2-CB 4.34Å; Y40-N48 PolarHBondContact N-O 2.96Å; Y40-N48 PolarHBondContact O-N 2.8Å; Y40-N48 VanDerWaalsContact O-N 3.16Å
49	Y	94.6	Very high	93.4	Very high	68 Å²	68	57.3 Å²	57.3	27%	0.267	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.6	-172.3	-49.1	-58.6	0	0	0	110.5	N47 P51 F57 I59	N47-Y49 HydrophobicContact CB-CE1 4.34Å; N47-Y49 PolarHBondContact ND2-OH 2.92Å; N47-Y49 WeakPolarHBondContact OD1-CE2 3.38Å; N47-Y49 VanDerWaalsContact OD1-CZ 3.27Å; N47-Y49 PolarHBondContact OD1-OH 3.42Å; N47-Y49 VanDerWaalsContact OD1-OH 3.06Å; Y49-P51 WeakPolarHBondContact O-CD 3.23Å; Y49-F57 AromaticContact CD1-CD1 3.67Å; Y49-F57 HydrophobicContact CD1-CD1 3.67Å; Y49-F57 AromaticContact CD1-CE1 3.57Å; Y49-F57 HydrophobicContact CD1-CE1 3.57Å; Y49-F57 HydrophobicContact CE1-CD1 4.39Å; Y49-F57 HydrophobicContact CE1-CE1 4.24Å; Y49-F57 HydrophobicContact CG-CD1 4.24Å; Y49-F57 HydrophobicContact CG-CE1 4.45Å; Y49-I59 HydrophobicContact CD1-CD1 4.31Å; Y49-I59 HydrophobicContact CD1-CG1 4.41Å; Y49-I59 HydrophobicContact CE1-CB 4.2Å; Y49-I59 HydrophobicContact CE1-CD1 4.2Å; Y49-I59 HydrophobicContact CE1-CG1 3.99Å
50	N	94.8	Very high	93.4	Very high	26 Å²	26	60 Å²	60	14%	0.139	32%	0.323	C	S	.	.			trans	-63.5	122.8	166.2	-175.6	-26.1	0	0	0	109.2	W37 M38 S52 L53 K54	W37-N50 HydrophobicContact CE3-CB 4.08Å; W37-N50 HydrophobicContact CZ3-CB 4.1Å; W37-N50 WeakPolarHBondContact O-CB 3.46Å; W37-N50 PolarHBondContact O-ND2 3.09Å; M38-N50 WeakPolarHBondContact O-CB 3.35Å; M38-N50 PolarHBondContact O-N 2.96Å; N50-S52 PolarHBondContact O-N 3.24Å; N50-S52 VanDerWaalsContact O-N 3.1Å; N50-S52 WeakPolarHBondContact OD1-CB 3.49Å; N50-S52 PolarHBondContact OD1-N 3.46Å; N50-S52 PolarHBondContact OD1-OG 3.17Å; N50-L53 HydrophobicContact CB-CD1 4.3Å; N50-L53 HydrophobicContact CB-CG 4.48Å; N50-L53 PolarHBondContact O-N 3.44Å; N50-K54 PolarHBondContact O-N 2.83Å
51	P	93.4	Very high	93.4	Very high	103 Å²	103	60.4 Å²	60.4	67%	0.669	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-54.7	-30.1	-179.8	-27.4	35.6	0	0	0	114.1	Y49 L53 K54	Y49-P51 WeakPolarHBondContact O-CD 3.23Å; P51-L53 PolarHBondContact O-N 3.16Å; P51-K54 WeakPolarHBondContact O-CB 3.44Å; P51-K54 PolarHBondContact O-N 3.24Å
52	S	90.9	Very high	93.5	Very high	98 Å²	98	61.7 Å²	61.7	69%	0.685	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-67	-19.8	177.6	-59.4	0	0	0	0	113.6	N50	N50-S52 PolarHBondContact O-N 3.24Å; N50-S52 VanDerWaalsContact O-N 3.1Å; N50-S52 WeakPolarHBondContact OD1-CB 3.49Å; N50-S52 PolarHBondContact OD1-N 3.46Å; N50-S52 PolarHBondContact OD1-OG 3.17Å
53	L	91.3	Very high	93.5	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.016	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-104.4	1.5	178.3	-62.5	175.5	0	0	0	112.8	M38 N50 P51 N55 R56 F57	M38-L53 HydrophobicContact CB-CD1 3.73Å; M38-L53 HydrophobicContact CE-CD1 3.7Å; M38-L53 HydrophobicContact CG-CD1 3.79Å; N50-L53 HydrophobicContact CB-CD1 4.3Å; N50-L53 HydrophobicContact CB-CG 4.48Å; N50-L53 PolarHBondContact O-N 3.44Å; P51-L53 PolarHBondContact O-N 3.16Å; L53-N55 PolarHBondContact O-N 3.08Å; L53-R56 PolarHBondContact O-N 2.8Å; L53-F57 HydrophobicContact CB-CB 3.77Å; L53-F57 HydrophobicContact CB-CD1 4.49Å; L53-F57 HydrophobicContact CB-CG 4.38Å; L53-F57 WeakPolarHBondContact O-CB 3.24Å; L53-F57 PolarHBondContact O-N 3.02Å; L53-F57 VanDerWaalsContact O-N 3.09Å
54	K	78.9	Confident	93.7	Very high	145 Å²	145	66.1 Å²	66.1	63%	0.63	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	139	-178.8	-166.5	174.2	-178.6	-179.8	0	109.6	N50 P51 R56	N50-K54 PolarHBondContact O-N 2.83Å; P51-K54 WeakPolarHBondContact O-CB 3.44Å; P51-K54 PolarHBondContact O-N 3.24Å; K54-R56 VanDerWaalsContact C-N 3.28Å; K54-R56 PolarHBondContact O-N 2.95Å
55	N	89	Confident	93.9	Very high	151 Å²	151	68 Å²	68	81%	0.807	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-17.4	-177.4	-43.7	-41.6	0	0	0	116.7	L53	L53-N55 PolarHBondContact O-N 3.08Å
56	R	93.7	Very high	94.1	Very high	66 Å²	66	68.6 Å²	68.6	25%	0.249	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-28.4	175.6	-60.7	-163.5	-54.1	129.9	3.5	113.3	L53 K54 L72 N73 S74 D79	L53-R56 PolarHBondContact O-N 2.8Å; K54-R56 VanDerWaalsContact C-N 3.28Å; K54-R56 PolarHBondContact O-N 2.95Å; R56-L72 HydrophobicContact CB-CD1 4.12Å; R56-L72 CarbonylContact O-C 3.57Å; R56-L72 WeakPolarHBondContact O-CA 3.43Å; R56-N73 WeakPolarHBondContact CD-O 3.49Å; R56-N73 PolarHBondContact NH1-O 2.73Å; R56-N73 PolarHBondContact O-N 3.39Å; R56-S74 PolarHBondContact NH1-O 2.95Å; R56-D79 IonicContact CZ-OD1 3.93Å; R56-D79 IonicContact CZ-OD2 2.83Å; R56-D79 IonicContact NH1-OD1 3.06Å; R56-D79 IonicContact NH1-OD2 3.34Å; R56-D79 PolarHBondContact NH1-OD2 3.29Å; R56-D79 IonicContact NH2-OD1 2.75Å; R56-D79 PolarHBondContact NH2-OD1 2.79Å; R56-D79 IonicContact NH2-OD2 3.99Å; R56-D79 PolarHBondContact NH2-OD2 2.81Å
57	F	94.6	Very high	94.2	Very high	13 Å²	13	67.3 Å²	67.3	6%	0.057	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139	-174.8	173.2	-112.7	0	0	0	112.1	W26 M38 Y49 L53 I59 L70 H71 L72	W26-F57 HydrophobicContact CB-CZ 4.25Å; M38-F57 VanDerWaalsContact C-CE1 3.46Å; M38-F57 HydrophobicContact CB-CE1 3.97Å; M38-F57 HydrophobicContact CB-CE2 4.04Å; M38-F57 HydrophobicContact CB-CZ 3.63Å; M38-F57 HydrophobicContact CE-CD2 3.81Å; M38-F57 HydrophobicContact CE-CE2 3.86Å; M38-F57 WeakPolarHBondContact O-CE1 3.3Å; Y49-F57 AromaticContact CD1-CD1 3.67Å; Y49-F57 HydrophobicContact CD1-CD1 3.67Å; Y49-F57 AromaticContact CD1-CE1 3.57Å; Y49-F57 HydrophobicContact CD1-CE1 3.57Å; Y49-F57 HydrophobicContact CE1-CD1 4.39Å; Y49-F57 HydrophobicContact CE1-CE1 4.24Å; Y49-F57 HydrophobicContact CG-CD1 4.24Å; Y49-F57 HydrophobicContact CG-CE1 4.45Å; L53-F57 HydrophobicContact CB-CB 3.77Å; L53-F57 HydrophobicContact CB-CD1 4.49Å; L53-F57 HydrophobicContact CB-CG 4.38Å; L53-F57 WeakPolarHBondContact O-CB 3.24Å; L53-F57 PolarHBondContact O-N 3.02Å; L53-F57 VanDerWaalsContact O-N 3.09Å; F57-I59 HydrophobicContact CE1-CD1 3.69Å; F57-I59 HydrophobicContact CE1-CG1 3.61Å; F57-I59 HydrophobicContact CE2-CG1 3.98Å; F57-I59 HydrophobicContact CZ-CD1 3.49Å; F57-I59 VanDerWaalsContact CZ-CD1 3.49Å; F57-I59 HydrophobicContact CZ-CG1 3.24Å; F57-L70 HydrophobicContact CD2-CD1 4.22Å; F57-L70 HydrophobicContact CD2-CG 4.04Å; F57-L70 HydrophobicContact CE2-CB 4.23Å; F57-L70 HydrophobicContact CE2-CD1 3.54Å; F57-L70 HydrophobicContact CE2-CG 3.57Å; F57-H71 CarbonylContact C-O 3.6Å; F57-H71 WeakPolarHBondContact CA-O 3.43Å; F57-L72 HydrophobicContact CB-CD1 4.04Å
58	S	95.8	Very high	94.4	Very high	39 Å²	39	64 Å²	64	27%	0.273	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.6	167.5	68.5	0	0	0	0	111.7	H71	S58-H71 PolarHBondContact N-O 3.06Å; S58-H71 PolarHBondContact O-N 2.9Å; S58-H71 WeakPolarHBondContact OG-CB 3.25Å
59	I	96.8	Very high	94.6	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.5	174.5	-55.5	172.2	0	0	0	108.1	Y40 I41 Y49 F57 Y69	Y40-I59 VanDerWaalsContact N-CD1 3.29Å; I41-I59 HydrophobicContact CB-CG2 3.76Å; I41-I59 HydrophobicContact CG2-CG2 3.57Å; Y49-I59 HydrophobicContact CD1-CD1 4.31Å; Y49-I59 HydrophobicContact CD1-CG1 4.41Å; Y49-I59 HydrophobicContact CE1-CB 4.2Å; Y49-I59 HydrophobicContact CE1-CD1 4.2Å; Y49-I59 HydrophobicContact CE1-CG1 3.99Å; F57-I59 HydrophobicContact CE1-CD1 3.69Å; F57-I59 HydrophobicContact CE1-CG1 3.61Å; F57-I59 HydrophobicContact CE2-CG1 3.98Å; F57-I59 HydrophobicContact CZ-CD1 3.49Å; F57-I59 VanDerWaalsContact CZ-CD1 3.49Å; F57-I59 HydrophobicContact CZ-CG1 3.24Å; I59-Y69 WeakPolarHBondContact CA-O 3.24Å; I59-Y69 WeakPolarHBondContact CG2-O 3.41Å
60	T	96.4	Very high	94.7	Very high	57 Å²	57	58.4 Å²	58.4	35%	0.35	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	167.4	175.8	61.9	0	0	0	0	110	Y68 Y69	T60-Y68 CarbonylContact O-C 3.52Å; T60-Y68 VanDerWaalsContact O-CA 3.31Å; T60-Y68 WeakPolarHBondContact O-CA 3.33Å; T60-Y68 WeakPolarHBondContact O-CB 3.38Å; T60-Y69 PolarHBondContact N-O 2.48Å; T60-Y69 VanDerWaalsContact N-O 3.13Å; T60-Y69 PolarHBondContact O-N 3.22Å; T60-Y69 WeakPolarHBondContact OG1-CD2 3.22Å
61	R	96.4	Very high	94.7	Very high	73 Å²	73	60.1 Å²	60.1	28%	0.275	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.9	176.4	68.6	-179.1	-180	-179.7	5.9	112	I18 I41 T42 Y43 D44 T63 Q67	I18-R61 HydrophobicContact CD1-CB 4.03Å; I41-R61 HydrophobicContact CD1-CB 4.15Å; I41-R61 HydrophobicContact CD1-CG 3.85Å; T42-R61 PolarHBondContact O-NH1 2.86Å; Y43-R61 PolarHBondContact O-NH1 2.79Å; D44-R61 PolarHBondContact O-NH2 2.85Å; R61-T63 HydrophobicContact CG-CG2 4.46Å; R61-Q67 WeakPolarHBondContact CA-O 3.42Å
62	D	97.1	Very high	94.8	Very high	35 Å²	35	55.2 Å²	55.2	19%	0.187	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	103	168.7	-175.3	-18.9	0	0	0	108	S64 K65 N66 Q67 Y69	D62-S64 VanDerWaalsContact C-N 3.27Å; D62-S64 PolarHBondContact O-N 3.2Å; D62-S64 WeakPolarHBondContact OD1-CB 3.31Å; D62-S64 PolarHBondContact OD1-N 3.33Å; D62-S64 PolarHBondContact OD1-OG 2.95Å; D62-K65 HydrophobicContact CB-CB 4.32Å; D62-K65 PolarHBondContact O-N 2.79Å; D62-K65 PolarHBondContact OD1-N 2.91Å; D62-K65 VanDerWaalsContact OD2-CD 3.31Å; D62-K65 WeakPolarHBondContact OD2-CD 3.33Å; D62-K65 WeakPolarHBondContact OD2-CE 2.92Å; D62-K65 WeakPolarHBondContact OD2-CG 3.11Å; D62-K65 IonicContact OD2-NZ 3.59Å; D62-K65 PolarHBondContact OD2-NZ 3.5Å; D62-N66 PolarHBondContact O-N 3.13Å; D62-Q67 PolarHBondContact N-O 2.84Å; D62-Q67 PolarHBondContact O-N 2.83Å; D62-Y69 HydrophobicContact CB-CE2 3.74Å
63	T	96.5	Very high	94.9	Very high	80 Å²	80	54.4 Å²	54.4	49%	0.491	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.8	-178.3	55.1	0	0	0	0	112.4	I18 T19 R61 K65 N66	I18-T63 HydrophobicContact CD1-CG2 4.21Å; I18-T63 HydrophobicContact CG1-CG2 4.39Å; T19-T63 HydrophobicContact CG2-CG2 3.48Å; T19-T63 VanDerWaalsContact CG2-CG2 3.48Å; R61-T63 HydrophobicContact CG-CG2 4.46Å; T63-K65 VanDerWaalsContact C-N 3.31Å; T63-N66 PolarHBondContact O-N 2.92Å
64	S	96.8	Very high	94.9	Very high	102 Å²	102	56.9 Å²	56.9	71%	0.713	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-30.3	176.1	76	0	0	0	0	112	D62	D62-S64 VanDerWaalsContact C-N 3.27Å; D62-S64 PolarHBondContact O-N 3.2Å; D62-S64 WeakPolarHBondContact OD1-CB 3.31Å; D62-S64 PolarHBondContact OD1-N 3.33Å; D62-S64 PolarHBondContact OD1-OG 2.95Å
65	K	97.9	Very high	95.5	Very high	122 Å²	122	52.3 Å²	52.3	53%	0.53	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-3.6	178.3	-63.1	-174.6	-169.9	118.2	0	113.7	D62 T63 Q67	D62-K65 HydrophobicContact CB-CB 4.32Å; D62-K65 PolarHBondContact O-N 2.79Å; D62-K65 PolarHBondContact OD1-N 2.91Å; D62-K65 VanDerWaalsContact OD2-CD 3.31Å; D62-K65 WeakPolarHBondContact OD2-CD 3.33Å; D62-K65 WeakPolarHBondContact OD2-CE 2.92Å; D62-K65 WeakPolarHBondContact OD2-CG 3.11Å; D62-K65 IonicContact OD2-NZ 3.59Å; D62-K65 PolarHBondContact OD2-NZ 3.5Å; T63-K65 VanDerWaalsContact C-N 3.31Å; K65-Q67 HydrophobicContact CB-CB 4.22Å; K65-Q67 HydrophobicContact CB-CG 4.13Å; K65-Q67 PolarHBondContact O-N 2.82Å
66	N	97.4	Very high	95.6	Very high	34 Å²	34	48.1 Å²	48.1	18%	0.182	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	41.8	-174	-156.3	42.2	0	0	0	112.7	V13 Y16 S17 I18 D62 T63	V13-N66 PolarHBondContact N-O 3.18Å; V13-N66 VanDerWaalsContact N-O 3.08Å; V13-N66 PolarHBondContact O-ND2 3.34Å; Y16-N66 PolarHBondContact O-ND2 2.9Å; S17-N66 WeakPolarHBondContact CA-OD1 3.49Å; I18-N66 WeakPolarHBondContact CG2-OD1 3.36Å; I18-N66 PolarHBondContact N-OD1 3.44Å; D62-N66 PolarHBondContact O-N 3.13Å; T63-N66 PolarHBondContact O-N 2.92Å
67	Q	98.1	Very high	95.5	Very high	39 Å²	39	50.5 Å²	50.5	18%	0.182	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.1	-174.4	-77.7	172.5	-6.3	0	0	112	T10 C11 T12 I18 R61 D62 K65 Y69	T10-Q67 HydrophobicContact CG2-CB 4.39Å; T10-Q67 HydrophobicContact CG2-CG 4.08Å; C11-Q67 VanDerWaalsContact O-CA 3.23Å; C11-Q67 WeakPolarHBondContact O-CA 3.5Å; T12-Q67 HydrophobicContact CG2-CG 4.15Å; T12-Q67 WeakPolarHBondContact OG1-CG 3.49Å; T12-Q67 PolarHBondContact OG1-NE2 2.82Å; I18-Q67 VanDerWaalsContact CD1-O 3.27Å; I18-Q67 WeakPolarHBondContact CD1-O 3.16Å; R61-Q67 WeakPolarHBondContact CA-O 3.42Å; D62-Q67 PolarHBondContact N-O 2.84Å; D62-Q67 PolarHBondContact O-N 2.83Å; K65-Q67 HydrophobicContact CB-CB 4.22Å; K65-Q67 HydrophobicContact CB-CG 4.13Å; K65-Q67 PolarHBondContact O-N 2.82Å; Q67-Y69 HydrophobicContact CB-CE1 4.16Å; Q67-Y69 HydrophobicContact CB-CE2 4.23Å; Q67-Y69 WeakPolarHBondContact CB-OH 3.41Å; Q67-Y69 PolarHBondContact OE1-OH 3.16Å
68	Y	97.3	Very high	95.3	Very high	3 Å²	3	57 Å²	57	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.1	165.7	67.3	-81.2	0	0	0	110.7	C11 V13 I18 W24 W26 T60 C85	C11-Y68 HydrophobicContact CB-CD1 3.74Å; C11-Y68 HydrophobicContact CB-CD2 4.09Å; C11-Y68 HydrophobicContact CB-CE1 3.39Å; C11-Y68 HydrophobicContact CB-CE2 3.76Å; C11-Y68 HydrophobicContact CB-CG 4.08Å; C11-Y68 VanDerWaalsContact CB-CZ 3.42Å; C11-Y68 WeakPolarHBondContact CB-O 3.35Å; C11-Y68 PolarHBondContact N-O 3.31Å; C11-Y68 PolarHBondContact O-N 2.77Å; C11-Y68 WeakPolarHBondContact SG-CE1 3.49Å; C11-Y68 PolarHBondContact SG-OH 2.86Å; C11-Y68 VanDerWaalsContact SG-OH 3.34Å; V13-Y68 HydrophobicContact CG2-CD1 4.37Å; V13-Y68 HydrophobicContact CG2-CE1 4Å; I18-Y68 HydrophobicContact CG2-CD1 4.46Å; W24-Y68 HydrophobicContact CB-CD1 3.96Å; W24-Y68 HydrophobicContact CB-CD2 4.05Å; W24-Y68 HydrophobicContact CB-CE1 3.8Å; W24-Y68 HydrophobicContact CB-CE2 3.9Å; W24-Y68 HydrophobicContact CB-CG 4.07Å; W24-Y68 HydrophobicContact CD2-CD1 4.46Å; W24-Y68 HydrophobicContact CD2-CE1 4.13Å; W24-Y68 AromaticContact CE3-CE1 3.87Å; W24-Y68 HydrophobicContact CE3-CE1 3.87Å; W24-Y68 HydrophobicContact CG-CD1 4.16Å; W24-Y68 HydrophobicContact CG-CE1 4.1Å; W26-Y68 HydrophobicContact CD2-CE2 4.34Å; W26-Y68 AromaticContact CE2-CD2 3.87Å; W26-Y68 AromaticContact CE2-CE2 3.68Å; W26-Y68 HydrophobicContact CZ2-CD2 4.14Å; W26-Y68 HydrophobicContact CZ2-CE2 4.02Å; W26-Y68 AromaticContact NE1-CD2 3.38Å; W26-Y68 AromaticContact NE1-CE2 3.49Å; T60-Y68 CarbonylContact O-C 3.52Å; T60-Y68 VanDerWaalsContact O-CA 3.31Å; T60-Y68 WeakPolarHBondContact O-CA 3.33Å; T60-Y68 WeakPolarHBondContact O-CB 3.38Å; Y68-C85 WeakPolarHBondContact OH-CA 3.39Å; Y68-C85 WeakPolarHBondContact OH-CB 3.21Å
69	Y	97.8	Very high	95.1	Very high	33 Å²	33	55.4 Å²	55.4	13%	0.129	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.7	-166.9	-46.2	-86.8	0	0	0	110.5	L9 T10 W26 I59 T60 D62 Q67	L9-Y69 CarbonylContact O-C 3.49Å; L9-Y69 VanDerWaalsContact O-CA 3.24Å; L9-Y69 WeakPolarHBondContact O-CA 3.37Å; T10-Y69 HydrophobicContact CG2-CD1 3.84Å; T10-Y69 HydrophobicContact CG2-CE1 3.53Å; T10-Y69 WeakPolarHBondContact OG1-CD1 3.28Å; W26-Y69 PolarHBondContact NE1-O 3.34Å; I59-Y69 WeakPolarHBondContact CA-O 3.24Å; I59-Y69 WeakPolarHBondContact CG2-O 3.41Å; T60-Y69 PolarHBondContact N-O 2.48Å; T60-Y69 VanDerWaalsContact N-O 3.13Å; T60-Y69 PolarHBondContact O-N 3.22Å; T60-Y69 WeakPolarHBondContact OG1-CD2 3.22Å; D62-Y69 HydrophobicContact CB-CE2 3.74Å; Q67-Y69 HydrophobicContact CB-CE1 4.16Å; Q67-Y69 HydrophobicContact CB-CE2 4.23Å; Q67-Y69 WeakPolarHBondContact CB-OH 3.41Å; Q67-Y69 PolarHBondContact OE1-OH 3.16Å
70	L	96.9	Very high	94.9	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131.5	165.4	162.8	159.1	0	0	0	107.4	S8 L9 W26 M38 F57 L72 Y83	S8-L70 CarbonylContact C-O 3.57Å; S8-L70 VanDerWaalsContact CA-O 3.3Å; S8-L70 WeakPolarHBondContact CA-O 3.4Å; L9-L70 HydrophobicContact CB-CB 4.35Å; L9-L70 HydrophobicContact CB-CD2 4.27Å; L9-L70 HydrophobicContact CD1-CD2 4.2Å; L9-L70 HydrophobicContact CG-CD2 4.18Å; L9-L70 PolarHBondContact N-O 2.88Å; L9-L70 PolarHBondContact O-N 2.78Å; W26-L70 HydrophobicContact CB-CD1 4.13Å; W26-L70 HydrophobicContact CD2-CB 3.68Å; W26-L70 HydrophobicContact CD2-CD1 3.83Å; W26-L70 HydrophobicContact CD2-CG 4.45Å; W26-L70 VanDerWaalsContact CE2-CB 3.41Å; W26-L70 HydrophobicContact CE3-CB 4.23Å; W26-L70 HydrophobicContact CE3-CD1 3.95Å; W26-L70 HydrophobicContact CG-CB 4.03Å; W26-L70 HydrophobicContact CG-CD1 3.92Å; W26-L70 HydrophobicContact CH2-CB 4.29Å; W26-L70 HydrophobicContact CZ2-CB 3.75Å; M38-L70 HydrophobicContact CE-CD1 3.75Å; M38-L70 HydrophobicContact SD-CD1 3.7Å; F57-L70 HydrophobicContact CD2-CD1 4.22Å; F57-L70 HydrophobicContact CD2-CG 4.04Å; F57-L70 HydrophobicContact CE2-CB 4.23Å; F57-L70 HydrophobicContact CE2-CD1 3.54Å; F57-L70 HydrophobicContact CE2-CG 3.57Å; L70-L72 HydrophobicContact CD2-CB 4.11Å; L70-Y83 HydrophobicContact CD1-CD1 3.94Å; L70-Y83 HydrophobicContact CD1-CE1 4.2Å
71	H	96.2	Very high	94.9	Very high	62 Å²	62	58.1 Å²	58.1	29%	0.287	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.4	165.5	-58.8	-75.7	0	0	0	109.2	L7 S8 F57 S58	L7-H71 WeakPolarHBondContact O-CA 3.35Å; S8-H71 PolarHBondContact OG-CE1 2.92Å; S8-H71 PolarHBondContact OG-ND1 2.78Å; S8-H71 VanDerWaalsContact OG-ND1 3.09Å; F57-H71 CarbonylContact C-O 3.6Å; F57-H71 WeakPolarHBondContact CA-O 3.43Å; S58-H71 PolarHBondContact N-O 3.06Å; S58-H71 PolarHBondContact O-N 2.9Å; S58-H71 WeakPolarHBondContact OG-CB 3.25Å
72	L	95.1	Very high	95	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.3	176.3	-172.2	66.7	0	0	0	109.2	S6 L7 R56 F57 L70 V75 D79	S6-L72 CarbonylContact C-O 3.57Å; S6-L72 VanDerWaalsContact CA-O 3.31Å; S6-L72 WeakPolarHBondContact CA-O 3.32Å; L7-L72 HydrophobicContact CB-CB 4.41Å; L7-L72 PolarHBondContact N-O 3.08Å; L7-L72 PolarHBondContact O-N 3.36Å; R56-L72 HydrophobicContact CB-CD1 4.12Å; R56-L72 CarbonylContact O-C 3.57Å; R56-L72 WeakPolarHBondContact O-CA 3.43Å; F57-L72 HydrophobicContact CB-CD1 4.04Å; L70-L72 HydrophobicContact CD2-CB 4.11Å; L72-V75 HydrophobicContact CB-CG2 4.32Å; L72-V75 HydrophobicContact CD2-CG2 4.16Å; L72-V75 HydrophobicContact CG-CG2 4.12Å; L72-V75 WeakPolarHBondContact O-CG2 3.39Å; L72-D79 HydrophobicContact CD2-CB 4.01Å
73	N	93.8	Very high	95	Very high	80 Å²	80	58.7 Å²	58.7	43%	0.428	33%	0.328	S	S	.	.	S	Bend	trans	-91.8	153.1	178.5	-66.3	-34	0	0	0	111.1	R56 V75	R56-N73 WeakPolarHBondContact CD-O 3.49Å; R56-N73 PolarHBondContact NH1-O 2.73Å; R56-N73 PolarHBondContact O-N 3.39Å; N73-V75 PolarHBondContact O-N 2.73Å
74	S	90.9	Very high	95.1	Very high	55 Å²	55	59.6 Å²	59.6	39%	0.385	32%	0.323	S	S	.	.	S	Bend	trans	54.6	50.4	176.1	-53.2	0	0	0	0	112.9	Q5 R56	Q5-S74 PolarHBondContact O-N 2.7Å; R56-S74 PolarHBondContact NH1-O 2.95Å
75	V	91.6	Very high	95.1	Very high	49 Å²	49	57.4 Å²	57.4	30%	0.297	31%	0.307	S	S	.	.			trans	-63.7	132.5	-177.9	-177.2	0	0	0	0	110.3	Q5 L7 L72 N73 D79	Q5-V75 WeakPolarHBondContact O-CG2 3.36Å; Q5-V75 PolarHBondContact O-N 2.8Å; L7-V75 HydrophobicContact CB-CG2 3.75Å; L72-V75 HydrophobicContact CB-CG2 4.32Å; L72-V75 HydrophobicContact CD2-CG2 4.16Å; L72-V75 HydrophobicContact CG-CG2 4.12Å; L72-V75 WeakPolarHBondContact O-CG2 3.39Å; N73-V75 PolarHBondContact O-N 2.73Å; V75-D79 WeakPolarHBondContact CA-OD2 3.31Å; V75-D79 HydrophobicContact CG1-CB 3.84Å
76	T	91.1	Very high	95	Very high	64 Å²	64	53.1 Å²	53.1	39%	0.393	29%	0.294	S	S	.	.			trans	-115.9	176.6	176.9	74.1	0	0	0	0	111	E78 D79	T76-E78 PolarHBondContact O-N 2.8Å; T76-E78 WeakPolarHBondContact OG1-CB 3.49Å; T76-E78 PolarHBondContact OG1-N 3.09Å; T76-D79 PolarHBondContact N-OD2 3.28Å; T76-D79 WeakPolarHBondContact O-CB 3.47Å; T76-D79 PolarHBondContact O-N 3.11Å; T76-D79 VanDerWaalsContact O-N 3.1Å
77	T	90.9	Very high	94.8	Very high	115 Å²	115	58.1 Å²	58.1	71%	0.706	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-61.4	-26.6	172.9	46.2	0	0	0	0	112.6	D79 T80	T77-D79 PolarHBondContact O-N 3.04Å; T77-T80 VanDerWaalsContact O-CB 3.28Å; T77-T80 WeakPolarHBondContact O-CB 3.41Å; T77-T80 PolarHBondContact O-N 2.85Å; T77-T80 PolarHBondContact O-OG1 3.05Å
78	E	89.9	Confident	94.5	Very high	150 Å²	150	64.7 Å²	64.7	70%	0.701	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-68.9	-18.6	176.5	-59.2	175.5	172.8	0	0	112.5	F30 T76 T80	F30-E78 VanDerWaalsContact CE1-O 3.26Å; F30-E78 WeakPolarHBondContact CE1-O 3.42Å; T76-E78 PolarHBondContact O-N 2.8Å; T76-E78 WeakPolarHBondContact OG1-CB 3.49Å; T76-E78 PolarHBondContact OG1-N 3.09Å; E78-T80 PolarHBondContact O-N 2.73Å
79	D	91.8	Very high	93.6	Very high	6 Å²	6	70.8 Å²	70.8	3%	0.032	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-86	4.3	176.2	-61.9	-51.2	0	0	0	112.2	R28 R56 L72 V75 T76 T77 A81 Y83	R28-D79 IonicContact CZ-OD1 3.78Å; R28-D79 IonicContact NH1-OD1 2.75Å; R28-D79 PolarHBondContact NH1-OD1 3.06Å; R28-D79 IonicContact NH2-OD1 3.94Å; R56-D79 IonicContact CZ-OD1 3.93Å; R56-D79 IonicContact CZ-OD2 2.83Å; R56-D79 IonicContact NH1-OD1 3.06Å; R56-D79 IonicContact NH1-OD2 3.34Å; R56-D79 PolarHBondContact NH1-OD2 3.29Å; R56-D79 IonicContact NH2-OD1 2.75Å; R56-D79 PolarHBondContact NH2-OD1 2.79Å; R56-D79 IonicContact NH2-OD2 3.99Å; R56-D79 PolarHBondContact NH2-OD2 2.81Å; L72-D79 HydrophobicContact CD2-CB 4.01Å; V75-D79 WeakPolarHBondContact CA-OD2 3.31Å; V75-D79 HydrophobicContact CG1-CB 3.84Å; T76-D79 PolarHBondContact N-OD2 3.28Å; T76-D79 WeakPolarHBondContact O-CB 3.47Å; T76-D79 PolarHBondContact O-N 3.11Å; T76-D79 VanDerWaalsContact O-N 3.1Å; T77-D79 PolarHBondContact O-N 3.04Å; D79-A81 PolarHBondContact O-N 2.8Å; D79-A81 VanDerWaalsContact O-N 3.12Å; D79-Y83 PolarHBondContact O-OH 3.03Å
80	T	93.6	Very high	92.4	Very high	95 Å²	95	70.4 Å²	70.4	58%	0.583	36%	0.363	S	S	*	.			trans	-71	105.8	177.2	-51.9	0	0	0	0	110.4	T77 E78	T77-T80 VanDerWaalsContact O-CB 3.28Å; T77-T80 WeakPolarHBondContact O-CB 3.41Å; T77-T80 PolarHBondContact O-N 2.85Å; T77-T80 PolarHBondContact O-OG1 3.05Å; E78-T80 PolarHBondContact O-N 2.73Å
81	A	96.1	Very high	90.4	Very high	24 Å²	24	75.3 Å²	75.3	20%	0.198	39%	0.393	C	S	.	.	S	Bend	trans	-155.8	165.8	-176.8	0	0	0	0	0	110.5	R28 Q29 F30 D79 Y83	R28-A81 HydrophobicContact CB-CB 3.83Å; R28-A81 HydrophobicContact CG-CB 4.29Å; Q29-A81 CarbonylContact O-C 3.59Å; Q29-A81 WeakPolarHBondContact O-CA 3.5Å; Q29-A81 WeakPolarHBondContact O-CB 3.4Å; F30-A81 HydrophobicContact CD1-CB 3.94Å; F30-A81 HydrophobicContact CE1-CB 4.07Å; D79-A81 PolarHBondContact O-N 2.8Å; D79-A81 VanDerWaalsContact O-N 3.12Å; A81-Y83 HydrophobicContact CB-CE2 4.15Å; A81-Y83 VanDerWaalsContact O-CD2 3.25Å; A81-Y83 WeakPolarHBondContact O-CD2 3.41Å; A81-Y83 VanDerWaalsContact O-CE2 3.32Å; A81-Y83 WeakPolarHBondContact O-CE2 3.48Å
82	T	97.3	Very high	88.1	Confident	76 Å²	76	77.3 Å²	77.3	47%	0.466	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130	163.7	-55.8	0	0	0	0	108.7	R28 Q29 Y84	R28-T82 CarbonylContact C-O 3.5Å; R28-T82 VanDerWaalsContact CA-O 3.27Å; R28-T82 WeakPolarHBondContact CA-O 3.27Å; Q29-T82 PolarHBondContact N-O 2.99Å; Q29-T82 PolarHBondContact O-N 3.2Å; T82-Y84 HydrophobicContact CG2-CD2 4.37Å; T82-Y84 HydrophobicContact CG2-CE1 3.98Å; T82-Y84 HydrophobicContact CG2-CE2 3.65Å; T82-Y84 VanDerWaalsContact CG2-CZ 3.44Å
83	Y	97.6	Very high	85.5	Confident	44 Å²	44	87 Å²	87	17%	0.173	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.8	-177.2	-69.1	-98.9	0	0	0	110.4	L7 L9 R28 M38 L70 D79 A81	L7-Y83 HydrophobicContact CD2-CE2 4.31Å; L9-Y83 VanDerWaalsContact CD1-CB 3.47Å; L9-Y83 HydrophobicContact CD1-CD1 3.89Å; L9-Y83 HydrophobicContact CD1-CD2 3.95Å; L9-Y83 HydrophobicContact CD1-CG 3.49Å; L9-Y83 VanDerWaalsContact CD1-CG 3.49Å; R28-Y83 HydrophobicContact CB-CD1 3.9Å; R28-Y83 HydrophobicContact CB-CE1 3.89Å; R28-Y83 HydrophobicContact CB-CG 4.39Å; M38-Y83 HydrophobicContact CE-CE1 3.86Å; M38-Y83 HydrophobicContact SD-CD1 3.76Å; M38-Y83 HydrophobicContact SD-CE1 3.6Å; L70-Y83 HydrophobicContact CD1-CD1 3.94Å; L70-Y83 HydrophobicContact CD1-CE1 4.2Å; D79-Y83 PolarHBondContact O-OH 3.03Å; A81-Y83 HydrophobicContact CB-CE2 4.15Å; A81-Y83 VanDerWaalsContact O-CD2 3.25Å; A81-Y83 WeakPolarHBondContact O-CD2 3.41Å; A81-Y83 VanDerWaalsContact O-CE2 3.32Å; A81-Y83 WeakPolarHBondContact O-CE2 3.48Å
84	Y	97.9	Very high	85.1	Confident	99 Å²	99	87.3 Å²	87.3	39%	0.388	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137	-177	-61.9	-81.3	0	0	0	111.2	I27 Q29 T82	I27-Y84 PolarHBondContact N-O 3.34Å; I27-Y84 PolarHBondContact O-N 2.99Å; Q29-Y84 HydrophobicContact CB-CD2 4.25Å; Q29-Y84 HydrophobicContact CB-CE2 3.59Å; Q29-Y84 HydrophobicContact CG-CE2 4.49Å; Q29-Y84 PolarHBondContact OE1-OH 3.1Å; T82-Y84 HydrophobicContact CG2-CD2 4.37Å; T82-Y84 HydrophobicContact CG2-CE1 3.98Å; T82-Y84 HydrophobicContact CG2-CE2 3.65Å; T82-Y84 VanDerWaalsContact CG2-CZ 3.44Å
85	C	96.9	Very high	84.8	Confident	55 Å²	55	89 Å²	89	37%	0.372	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	136.1	161.9	-67.2	0	0	0	0	110.5	C11 Y68	C11-C85 HydrophobicContact CB-CB 4.21Å; C11-C85 WeakPolarHBondContact CB-SG 3.31Å; C11-C85 WeakPolarHBondContact SG-CB 3.35Å; C11-C85 CovalentContact SG-SG 2.02Å; C11-C85 PolarHBondContact SG-SG 3.36Å; Y68-C85 WeakPolarHBondContact OH-CA 3.39Å; Y68-C85 WeakPolarHBondContact OH-CB 3.21Å
86	A	95.8	Very high	84.4	Confident	32 Å²	32	91.2 Å²	91.2	26%	0.264	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.6	173.1	0	0	0	0	0	112.1	W24 H25 I27	W24-A86 WeakPolarHBondContact CA-O 3.42Å; H25-A86 HydrophobicContact CB-CB 4.18Å; H25-A86 PolarHBondContact N-O 3.07Å; H25-A86 PolarHBondContact O-N 3.49Å; I27-A86 HydrophobicContact CD1-CB 3.88Å
87	R	94.6	Very high	84.1	Confident	140 Å²	140	92.8 Å²	92.8	53%	0.528	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.4	175.7	-176.2	-177.1	68	176.6	-0.8	109.4	Y22 W24	Y22-R87 HydrophobicContact CD1-CG 3.53Å; Y22-R87 HydrophobicContact CE1-CG 4.29Å; Y22-R87 HydrophobicContact CG-CG 3.73Å; W24-R87 HydrophobicContact CE3-CB 4.05Å; W24-R87 HydrophobicContact CE3-CG 4.13Å; W24-R87 HydrophobicContact CH2-CB 4.37Å; W24-R87 HydrophobicContact CH2-CG 3.79Å; W24-R87 HydrophobicContact CZ2-CG 4.47Å; W24-R87 HydrophobicContact CZ3-CB 3.67Å; W24-R87 HydrophobicContact CZ3-CG 3.58Å
88	R	90.9	Very high	83.6	Confident	177 Å²	177	91.4 Å²	91.4	67%	0.668	48%	0.476	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.5	172.4	-176.4	-179.1	177.4	112.9	-0	110.3	Y22 S23 S90	Y22-R88 CarbonylContact C-O 3.57Å; Y22-R88 WeakPolarHBondContact CA-O 3.37Å; Y22-R88 WeakPolarHBondContact CB-O 3.25Å; Y22-R88 WeakPolarHBondContact CD1-O 3.43Å; S23-R88 PolarHBondContact N-O 3.27Å; S23-R88 PolarHBondContact O-N 3.34Å; S23-R88 PolarHBondContact OG-O 3.45Å; R88-S90 PolarHBondContact O-N 2.75Å
89	F	79.3	Confident	83.2	Confident	131 Å²	131	87.5 Å²	87.5	58%	0.575	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.2	174.7	-168.8	-103.8	0	0	0	109.5	Y22 T91	Y22-F89 HydrophobicContact CD1-CB 4.35Å; Y22-F89 HydrophobicContact CD1-CD2 4.31Å; Y22-F89 HydrophobicContact CE1-CB 4.3Å; Y22-F89 AromaticContact CE1-CD2 3.84Å; Y22-F89 HydrophobicContact CE1-CD2 3.84Å; F89-T91 HydrophobicContact CD1-CG2 3.75Å; F89-T91 HydrophobicContact CE1-CG2 3.57Å
90	S	72.1	Confident	82.6	Confident	25 Å²	25	93.4 Å²	93.4	18%	0.175	49%	0.492	C	S	.	.			trans	-98.5	91.4	-177.8	-171.9	0	0	0	0	109.4	G21 R88 T92	G21-S90 PolarHBondContact O-N 2.98Å; R88-S90 PolarHBondContact O-N 2.75Å; S90-T92 PolarHBondContact O-N 2.91Å
91	T	54.8	Low	81.7	Confident	102 Å²	102	93.2 Å²	93.2	63%	0.626	49%	0.485	S	S	*	.			trans	-80.6	91.7	162.8	47.8	0	0	0	0	108	F89 V93	F89-T91 HydrophobicContact CD1-CG2 3.75Å; F89-T91 HydrophobicContact CE1-CG2 3.57Å; T91-V93 PolarHBondContact O-N 2.58Å
92	T	48.9	Very low	80.6	Confident	104 Å²	104	99 Å²	99	64%	0.638	51%	0.509	S	S	*	.			trans	-67.9	110.7	156.2	-35.5	0	0	0	0	105.3	S90	S90-T92 PolarHBondContact O-N 2.91Å
93	V	40.5	Very low	79	Confident	203 Å²	203	101.1 Å²	101.1	100%	1.23	51%	0.512	S	S	*	.			trans	-80.2	0	169	-156.9	0	0	0	0	108	T91	T91-V93 PolarHBondContact O-N 2.58Å

Retrieved 93 of 93 residues in 52.5 ms (Link to these results)

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