X5J5B0_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5B0, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 100 aa.

						>X5J5B0_MOUSE|X5J5B0
SCAASGFDFSRYWMSWVRQAPGKGLEWIGVINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCASHYGYSYWYFDVWGAGTMVTVSS
					

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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	97.5	Very high	94.5	Very high	108 Å²	108	66.9 Å²	66.9	76%	0.755	44%	0.439	S	S	*	.				0	167.5	0	49.2	0	0	0	0	108.9	L59	S1-L59 CarbonylContact C-O 3.59Å; S1-L59 WeakPolarHBondContact CA-O 3.29Å
2	C	98	Very high	94.4	Very high	19 Å²	19	65.4 Å²	65.4	13%	0.128	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	113.7	174.6	166.5	0	0	0	0	108.9	W16 T58 L59 C76	C2-W16 HydrophobicContact CB-CH2 3.81Å; C2-W16 HydrophobicContact CB-CZ2 4.01Å; C2-T58 WeakPolarHBondContact O-CA 3.31Å; C2-L59 HydrophobicContact CB-CB 4.41Å; C2-L59 PolarHBondContact N-O 3.32Å; C2-L59 PolarHBondContact O-N 3.25Å; C2-C76 HydrophobicContact CB-CB 3.37Å; C2-C76 WeakPolarHBondContact CB-SG 3.47Å; C2-C76 WeakPolarHBondContact SG-CB 3.28Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 2.93Å
3	A	97.7	Very high	94.4	Very high	79 Å²	79	61.8 Å²	61.8	65%	0.653	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	130	173.9	0	0	0	0	0	109.2
4	A	95.8	Very high	94.6	Very high	17 Å²	17	57.6 Å²	57.6	14%	0.14	37%	0.365	C	S	.	.			trans	-96	145.3	178	0	0	0	0	0	110.9	F7 F9 N57	A4-F7 HydrophobicContact CB-CE1 3.97Å; A4-F7 HydrophobicContact CB-CE2 4.27Å; A4-F7 HydrophobicContact CB-CZ 3.59Å; A4-F9 HydrophobicContact CB-CB 4.35Å; A4-F9 HydrophobicContact CB-CD2 3.42Å; A4-F9 VanDerWaalsContact CB-CD2 3.42Å; A4-F9 HydrophobicContact CB-CE2 4.05Å; A4-F9 HydrophobicContact CB-CG 4.24Å; A4-N57 PolarHBondContact N-O 3.3Å
5	S	94.7	Very high	94.7	Very high	105 Å²	105	53.9 Å²	53.9	73%	0.734	34%	0.341	S	S	*	.			trans	-148.1	158.3	174.3	62.8	0	0	0	0	109.8	F7	S5-F7 WeakPolarHBondContact O-CD1 3.35Å
6	G	92.4	Very high	94.9	Very high	90 Å²	90	51.1 Å²	51.1	93%	0.928	32%	0.322	S	S	*	.	S	Bend	trans	84.8	-0.5	178.4	0	0	0	0	0	115.7
7	F	90.4	Very high	95.1	Very high	45 Å²	45	48.2 Å²	48.2	20%	0.197	30%	0.304	C	S	.	.	S	Bend	trans	-151.4	164.2	174.6	62.4	-85.9	0	0	0	111.8	A4 S5 F9 Y12 M14	A4-F7 HydrophobicContact CB-CE1 3.97Å; A4-F7 HydrophobicContact CB-CE2 4.27Å; A4-F7 HydrophobicContact CB-CZ 3.59Å; S5-F7 WeakPolarHBondContact O-CD1 3.35Å; F7-F9 HydrophobicContact CE2-CB 4.37Å; F7-F9 HydrophobicContact CE2-CD2 4.31Å; F7-F9 PolarHBondContact O-N 2.96Å; F7-Y12 HydrophobicContact CB-CE2 4.18Å; F7-Y12 AromaticContact CD2-CD1 3.98Å; F7-Y12 HydrophobicContact CD2-CD1 3.98Å; F7-Y12 AromaticContact CD2-CD2 3.61Å; F7-Y12 HydrophobicContact CD2-CD2 3.61Å; F7-Y12 HydrophobicContact CD2-CE1 4.23Å; F7-Y12 AromaticContact CD2-CE2 3.87Å; F7-Y12 HydrophobicContact CD2-CE2 3.87Å; F7-Y12 AromaticContact CD2-CG 3.67Å; F7-Y12 HydrophobicContact CD2-CG 3.67Å; F7-Y12 HydrophobicContact CE2-CD1 4.13Å; F7-Y12 HydrophobicContact CE2-CD2 4.2Å; F7-Y12 AromaticContact CE2-CG 3.82Å; F7-Y12 HydrophobicContact CE2-CG 3.82Å; F7-Y12 HydrophobicContact CG-CE2 4.44Å; F7-M14 HydrophobicContact CE2-SD 4.24Å; F7-M14 HydrophobicContact CZ-SD 4.29Å
8	D	92.5	Very high	95.2	Very high	71 Å²	71	46.7 Å²	46.7	38%	0.38	29%	0.291	S	S	.	.			trans	-74.8	87.2	174.3	-179	0.6	0	0	0	110.4	S10 R11 Y12	D8-S10 PolarHBondContact O-N 3.25Å; D8-S10 WeakPolarHBondContact OD1-CB 3.34Å; D8-S10 PolarHBondContact OD1-N 2.78Å; D8-S10 PolarHBondContact OD1-OG 2.94Å; D8-R11 PolarHBondContact O-N 3.26Å; D8-R11 WeakPolarHBondContact OD2-CD 3.28Å; D8-R11 VanDerWaalsContact OD2-CG 3.32Å; D8-R11 WeakPolarHBondContact OD2-CG 3.42Å; D8-R11 IonicContact OD2-CZ 3.68Å; D8-R11 IonicContact OD2-NE 2.78Å; D8-R11 PolarHBondContact OD2-NE 3.1Å; D8-Y12 WeakPolarHBondContact O-CD2 3.46Å
9	F	94.4	Very high	95.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-47.9	-36.2	-179.1	179.1	-100.1	0	0	0	113.2	A4 F7 R11 Y12 M14 R52 N54 N57 L59	A4-F9 HydrophobicContact CB-CB 4.35Å; A4-F9 HydrophobicContact CB-CD2 3.42Å; A4-F9 VanDerWaalsContact CB-CD2 3.42Å; A4-F9 HydrophobicContact CB-CE2 4.05Å; A4-F9 HydrophobicContact CB-CG 4.24Å; F7-F9 HydrophobicContact CE2-CB 4.37Å; F7-F9 HydrophobicContact CE2-CD2 4.31Å; F7-F9 PolarHBondContact O-N 2.96Å; F9-R11 PolarHBondContact O-N 3.18Å; F9-R11 VanDerWaalsContact O-N 3.13Å; F9-Y12 PolarHBondContact O-N 3.22Å; F9-Y12 VanDerWaalsContact O-N 3.15Å; F9-M14 HydrophobicContact CD2-CE 4.29Å; F9-M14 HydrophobicContact CD2-CG 4.12Å; F9-M14 HydrophobicContact CD2-SD 3.78Å; F9-M14 HydrophobicContact CE2-CE 3.81Å; F9-M14 HydrophobicContact CE2-CG 3.51Å; F9-M14 HydrophobicContact CE2-SD 3.61Å; F9-M14 HydrophobicContact CZ-CG 3.96Å; F9-R52 VanDerWaalsContact CD1-NH2 3.26Å; F9-R52 HydrophobicContact CE1-CB 4.24Å; F9-R52 HydrophobicContact CZ-CB 4.11Å; F9-R52 PolarHBondContact O-NH2 2.95Å; F9-N54 WeakPolarHBondContact CD1-OD1 3.36Å; F9-N54 VanDerWaalsContact CE1-OD1 3.28Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.27Å; F9-N57 HydrophobicContact CB-CB 3.92Å; F9-N57 WeakPolarHBondContact CB-OD1 3.33Å; F9-N57 HydrophobicContact CD1-CB 4.35Å; F9-N57 HydrophobicContact CG-CB 4.1Å; F9-L59 HydrophobicContact CE2-CB 4.41Å; F9-L59 HydrophobicContact CZ-CB 4.36Å
10	S	93.7	Very high	95.5	Very high	47 Å²	47	46.4 Å²	46.4	33%	0.329	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-65.2	-16.4	-176.5	77.3	0	0	0	0	114	D8 P33	D8-S10 PolarHBondContact O-N 3.25Å; D8-S10 WeakPolarHBondContact OD1-CB 3.34Å; D8-S10 PolarHBondContact OD1-N 2.78Å; D8-S10 PolarHBondContact OD1-OG 2.94Å; S10-P33 VanDerWaalsContact O-CB 3.29Å; S10-P33 WeakPolarHBondContact O-CB 3.24Å
11	R	92.3	Very high	95.5	Very high	155 Å²	155	48.8 Å²	48.8	59%	0.585	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-101.2	-6.6	178.4	-64.9	-177.3	-176.5	-158.9	-5.3	114.2	D8 F9 Y80	D8-R11 PolarHBondContact O-N 3.26Å; D8-R11 WeakPolarHBondContact OD2-CD 3.28Å; D8-R11 VanDerWaalsContact OD2-CG 3.32Å; D8-R11 WeakPolarHBondContact OD2-CG 3.42Å; D8-R11 IonicContact OD2-CZ 3.68Å; D8-R11 IonicContact OD2-NE 2.78Å; D8-R11 PolarHBondContact OD2-NE 3.1Å; F9-R11 PolarHBondContact O-N 3.18Å; F9-R11 VanDerWaalsContact O-N 3.13Å; R11-Y80 HydrophobicContact CB-CE2 4.25Å
12	Y	93.4	Very high	95.4	Very high	49 Å²	49	47.9 Å²	47.9	19%	0.192	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	144.6	-172.6	-77.4	-114.4	0	0	0	111.2	F7 D8 F9 R52 H79 Y80	F7-Y12 HydrophobicContact CB-CE2 4.18Å; F7-Y12 AromaticContact CD2-CD1 3.98Å; F7-Y12 HydrophobicContact CD2-CD1 3.98Å; F7-Y12 AromaticContact CD2-CD2 3.61Å; F7-Y12 HydrophobicContact CD2-CD2 3.61Å; F7-Y12 HydrophobicContact CD2-CE1 4.23Å; F7-Y12 AromaticContact CD2-CE2 3.87Å; F7-Y12 HydrophobicContact CD2-CE2 3.87Å; F7-Y12 AromaticContact CD2-CG 3.67Å; F7-Y12 HydrophobicContact CD2-CG 3.67Å; F7-Y12 HydrophobicContact CE2-CD1 4.13Å; F7-Y12 HydrophobicContact CE2-CD2 4.2Å; F7-Y12 AromaticContact CE2-CG 3.82Å; F7-Y12 HydrophobicContact CE2-CG 3.82Å; F7-Y12 HydrophobicContact CG-CE2 4.44Å; D8-Y12 WeakPolarHBondContact O-CD2 3.46Å; F9-Y12 PolarHBondContact O-N 3.22Å; F9-Y12 VanDerWaalsContact O-N 3.15Å; Y12-R52 PolarHBondContact O-NH1 2.85Å; Y12-H79 VanDerWaalsContact CD1-C 3.5Å; Y12-H79 WeakPolarHBondContact CD1-O 3.36Å; Y12-Y80 HydrophobicContact CD2-CD2 4.01Å; Y12-Y80 HydrophobicContact CE1-CD2 4.13Å; Y12-Y80 HydrophobicContact CE1-CG 4.33Å; Y12-Y80 AromaticContact CE2-CD2 3.57Å; Y12-Y80 HydrophobicContact CE2-CD2 3.57Å; Y12-Y80 HydrophobicContact CE2-CE2 4.24Å; Y12-Y80 HydrophobicContact CE2-CG 4.5Å; Y12-Y80 HydrophobicContact CG-CD2 4.48Å; Y12-Y80 AromaticContact CZ-CD2 3.63Å
13	W	94.7	Very high	95.3	Very high	18 Å²	18	54.1 Å²	54.1	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	142.5	163.6	-71.6	73.1	0	0	0	108.6	V30 N32 T37 S78 H79 G81 Y82 Y84	W13-V30 HydrophobicContact CB-CG2 3.94Å; W13-V30 HydrophobicContact CD2-CG2 4.47Å; W13-V30 HydrophobicContact CE3-CB 4.46Å; W13-V30 HydrophobicContact CE3-CG1 3.91Å; W13-V30 HydrophobicContact CE3-CG2 3.69Å; W13-V30 HydrophobicContact CZ3-CG1 4.03Å; W13-N32 HydrophobicContact CD2-CB 3.79Å; W13-N32 HydrophobicContact CE3-CB 3.65Å; W13-N32 HydrophobicContact CH2-CB 3.49Å; W13-N32 VanDerWaalsContact CH2-CB 3.49Å; W13-N32 HydrophobicContact CZ2-CB 3.6Å; W13-N32 HydrophobicContact CZ3-CB 3.51Å; W13-T37 HydrophobicContact CH2-CG2 4.47Å; W13-S78 WeakPolarHBondContact O-CA 3.44Å; W13-H79 WeakPolarHBondContact CB-CE1 3.5Å; W13-H79 WeakPolarHBondContact CB-NE2 3.15Å; W13-H79 AromaticContact CG-NE2 3.66Å; W13-H79 PolarHBondContact N-O 3.05Å; W13-H79 PolarHBondContact O-N 3.47Å; W13-H79 VanDerWaalsContact O-N 3.1Å; W13-G81 PolarHBondContact NE1-O 3.41Å; W13-Y82 HydrophobicContact CZ2-CD1 4.36Å; W13-Y82 HydrophobicContact CZ2-CE1 4.37Å; W13-Y84 HydrophobicContact CE3-CE1 4.3Å; W13-Y84 HydrophobicContact CH2-CE1 4.33Å; W13-Y84 WeakPolarHBondContact CH2-OH 3.39Å; W13-Y84 HydrophobicContact CZ3-CE1 4.03Å
14	M	96.5	Very high	95.2	Very high	4 Å²	4	53 Å²	53	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.8	-173.6	-63.2	-58.8	-51.4	0	0	109.9	F7 F9 V30 I31 L59 S78	F7-M14 HydrophobicContact CE2-SD 4.24Å; F7-M14 HydrophobicContact CZ-SD 4.29Å; F9-M14 HydrophobicContact CD2-CE 4.29Å; F9-M14 HydrophobicContact CD2-CG 4.12Å; F9-M14 HydrophobicContact CD2-SD 3.78Å; F9-M14 HydrophobicContact CE2-CE 3.81Å; F9-M14 HydrophobicContact CE2-CG 3.51Å; F9-M14 HydrophobicContact CE2-SD 3.61Å; F9-M14 HydrophobicContact CZ-CG 3.96Å; M14-V30 CarbonylContact O-C 3.56Å; M14-V30 VanDerWaalsContact O-CA 3.3Å; M14-V30 WeakPolarHBondContact O-CA 3.49Å; M14-V30 VanDerWaalsContact O-CG2 3.28Å; M14-V30 WeakPolarHBondContact O-CG2 3.11Å; M14-I31 HydrophobicContact CB-CG2 4.03Å; M14-I31 PolarHBondContact N-O 3.16Å; M14-I31 PolarHBondContact O-N 2.77Å; M14-L59 HydrophobicContact CB-CD1 3.57Å; M14-L59 HydrophobicContact CB-CD2 3.85Å; M14-L59 HydrophobicContact CB-CG 4.2Å; M14-L59 HydrophobicContact CE-CD2 4.26Å; M14-L59 HydrophobicContact CG-CD1 4.41Å; M14-S78 WeakPolarHBondContact SD-CB 3.39Å
15	S	96.8	Very high	95.2	Very high	1 Å²	1	57 Å²	57	1%	0.007	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	154.5	-178.4	-77.6	0	0	0	0	112.7	W27 G29 V30 C76 A77 F87	S15-W27 PolarHBondContact OG-NE1 3.09Å; S15-W27 VanDerWaalsContact OG-NE1 3.14Å; S15-G29 WeakPolarHBondContact CA-O 3.41Å; S15-G29 WeakPolarHBondContact CB-O 3.35Å; S15-G29 PolarHBondContact OG-O 2.8Å; S15-V30 VanDerWaalsContact OG-CB 3.3Å; S15-V30 WeakPolarHBondContact OG-CB 3.47Å; S15-V30 VanDerWaalsContact OG-CG2 3.24Å; S15-V30 WeakPolarHBondContact OG-CG2 3.41Å; S15-C76 CarbonylContact O-C 3.4Å; S15-C76 VanDerWaalsContact O-CA 3.3Å; S15-C76 WeakPolarHBondContact O-CA 3.42Å; S15-A77 PolarHBondContact N-O 3.4Å; S15-A77 PolarHBondContact O-N 3.12Å; S15-F87 VanDerWaalsContact CB-CE1 3.41Å; S15-F87 VanDerWaalsContact OG-CE1 3.31Å; S15-F87 WeakPolarHBondContact OG-CE1 3.2Å
16	W	98.1	Very high	95.3	Very high	9 Å²	9	55.2 Å²	55.2	3%	0.034	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.4	160.2	-75.3	98.9	0	0	0	109.9	C2 I28 G29 L59 Y60 L61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.81Å; C2-W16 HydrophobicContact CB-CZ2 4.01Å; W16-I28 HydrophobicContact CB-CB 4.05Å; W16-I28 HydrophobicContact CB-CD1 4.02Å; W16-I28 WeakPolarHBondContact O-CB 3.42Å; W16-I28 PolarHBondContact O-N 2.92Å; W16-G29 PolarHBondContact N-O 2.88Å; W16-G29 PolarHBondContact O-N 2.98Å; W16-L59 HydrophobicContact CD2-CD2 4.25Å; W16-L59 HydrophobicContact CG-CD2 4.26Å; W16-L59 HydrophobicContact CZ2-CD2 4.11Å; W16-L59 HydrophobicContact CZ2-CG 4.23Å; W16-L59 VanDerWaalsContact NE1-CG 3.31Å; W16-Y60 PolarHBondContact NE1-O 3.08Å; W16-Y60 VanDerWaalsContact NE1-O 3.09Å; W16-L61 HydrophobicContact CB-CD1 4.28Å; W16-L61 HydrophobicContact CB-CD2 4.22Å; W16-L61 HydrophobicContact CD2-CB 3.83Å; W16-L61 HydrophobicContact CD2-CD2 3.85Å; W16-L61 HydrophobicContact CD2-CG 4.3Å; W16-L61 HydrophobicContact CE3-CB 4.44Å; W16-L61 HydrophobicContact CE3-CD2 4.02Å; W16-L61 HydrophobicContact CG-CB 4.11Å; W16-L61 HydrophobicContact CG-CD1 3.95Å; W16-L61 HydrophobicContact CG-CD2 3.93Å; W16-L61 HydrophobicContact CG-CG 4.24Å; W16-L61 HydrophobicContact CZ2-CB 3.92Å; W16-Y75 WeakPolarHBondContact CA-O 3.46Å; W16-Y75 VanDerWaalsContact CE3-O 3.23Å; W16-C76 HydrophobicContact CE3-CB 4.41Å; W16-C76 HydrophobicContact CH2-CB 4.25Å; W16-C76 HydrophobicContact CZ2-CB 4.48Å; W16-C76 HydrophobicContact CZ3-CB 4.22Å
17	V	97.8	Very high	95.5	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.018	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.2	176.7	-177.9	0	0	0	0	107.1	L25 E26 Y74 Y75 F87 W90	V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 3.83Å; V17-L25 HydrophobicContact CG1-CG 4.39Å; V17-E26 CarbonylContact C-O 3.59Å; V17-E26 WeakPolarHBondContact CA-O 3.43Å; V17-E26 WeakPolarHBondContact CG1-O 3Å; V17-Y74 CarbonylContact O-C 3.42Å; V17-Y74 WeakPolarHBondContact O-CA 3.35Å; V17-Y75 PolarHBondContact N-O 2.99Å; V17-Y75 PolarHBondContact O-N 3.08Å; V17-F87 HydrophobicContact CG2-CE2 4.11Å; V17-F87 HydrophobicContact CG2-CZ 4.32Å; V17-W90 HydrophobicContact CB-CH2 4.11Å; V17-W90 HydrophobicContact CB-CZ3 3.79Å; V17-W90 HydrophobicContact CG1-CH2 3.98Å; V17-W90 HydrophobicContact CG1-CZ3 3.95Å; V17-W90 HydrophobicContact CG2-CH2 3.82Å; V17-W90 HydrophobicContact CG2-CZ3 3.86Å
18	R	97.6	Very high	95.8	Very high	20 Å²	20	52.7 Å²	52.7	8%	0.075	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	159.8	171.8	68.1	177.5	-170.8	175.8	2.9	112.3	E26 I28 L44 D70 A72 L73 Y74	R18-E26 HydrophobicContact CG-CB 4.13Å; R18-E26 IonicContact CZ-OE2 3.18Å; R18-E26 PolarHBondContact N-O 2.84Å; R18-E26 IonicContact NE-OE2 2.73Å; R18-E26 PolarHBondContact NE-OE2 2.77Å; R18-E26 IonicContact NH2-OE1 3.94Å; R18-E26 IonicContact NH2-OE2 2.71Å; R18-E26 PolarHBondContact NH2-OE2 2.9Å; R18-E26 PolarHBondContact O-N 2.78Å; R18-I28 HydrophobicContact CB-CD1 3.94Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.12Å; R18-I28 HydrophobicContact CG-CG1 4.12Å; R18-L44 VanDerWaalsContact NH2-CD2 3.31Å; R18-D70 IonicContact CZ-OD1 3.74Å; R18-D70 IonicContact NH1-OD1 2.76Å; R18-D70 PolarHBondContact NH1-OD1 3.01Å; R18-D70 IonicContact NH2-OD1 2.84Å; R18-A72 HydrophobicContact CB-CB 3.99Å; R18-A72 HydrophobicContact CG-CB 4.49Å; R18-L73 CarbonylContact C-O 3.49Å; R18-L73 WeakPolarHBondContact CA-O 3.31Å; R18-Y74 HydrophobicContact CB-CD1 3.94Å; R18-Y74 HydrophobicContact CB-CE1 3.93Å; R18-Y74 HydrophobicContact CB-CG 4.29Å
19	Q	98	Very high	96	Very high	66 Å²	66	49.3 Å²	49.3	31%	0.308	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	104.6	174	-170	178.6	20.4	0	0	109.3	K23 L25 A72 L73 Y75	Q19-K23 WeakPolarHBondContact CG-O 3.43Å; Q19-K23 PolarHBondContact NE2-O 2.81Å; Q19-L25 HydrophobicContact CB-CD2 4.09Å; Q19-A72 WeakPolarHBondContact O-CA 3.33Å; Q19-A72 WeakPolarHBondContact O-CB 3.4Å; Q19-L73 HydrophobicContact CB-CB 4.45Å; Q19-L73 PolarHBondContact N-O 2.81Å; Q19-L73 PolarHBondContact O-N 3.18Å; Q19-Y75 HydrophobicContact CB-CE2 3.93Å; Q19-Y75 PolarHBondContact OE1-OH 3.08Å
20	A	96.9	Very high	96.1	Very high	22 Å²	22	49.3 Å²	49.3	18%	0.182	27%	0.274	C	S	.	.			trans	-70.6	152.7	172.9	0	0	0	0	0	110.5	G22 K23 A72	A20-G22 PolarHBondContact O-N 2.88Å; A20-K23 HydrophobicContact CB-CB 4.11Å; A20-K23 HydrophobicContact CB-CG 3.97Å; A20-K23 WeakPolarHBondContact O-CB 3.43Å; A20-K23 PolarHBondContact O-N 2.73Å; A20-A72 HydrophobicContact CB-CB 4.44Å
21	P	95.9	Very high	96.2	Very high	96 Å²	96	47.2 Å²	47.2	62%	0.623	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	127.2	176.6	-27	34.9	0	0	0	112.2	K23 T71	P21-K23 PolarHBondContact O-N 2.71Å; P21-T71 VanDerWaalsContact CD-O 3.29Å; P21-T71 WeakPolarHBondContact CD-O 3.19Å
22	G	95.8	Very high	96.3	Very high	90 Å²	90	40.4 Å²	40.4	93%	0.928	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.7	11.3	-179	0	0	0	0	0	115.2	A20	A20-G22 PolarHBondContact O-N 2.88Å
23	K	95.9	Very high	96.4	Very high	150 Å²	150	39.6 Å²	39.6	65%	0.652	24%	0.235	S	C	*	.			trans	-115.2	162.1	176.3	-59.1	-64.3	-175.1	178	0	111.6	Q19 A20 P21	Q19-K23 WeakPolarHBondContact CG-O 3.43Å; Q19-K23 PolarHBondContact NE2-O 2.81Å; A20-K23 HydrophobicContact CB-CB 4.11Å; A20-K23 HydrophobicContact CB-CG 3.97Å; A20-K23 WeakPolarHBondContact O-CB 3.43Å; A20-K23 PolarHBondContact O-N 2.73Å; P21-K23 PolarHBondContact O-N 2.71Å
24	G	95.8	Very high	96.4	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	26%	0.259	S	S	*	.			trans	-72.8	179.4	169.5	0	0	0	0	0	112.4
25	L	95.9	Very high	96.4	Very high	101 Å²	101	46.2 Å²	46.2	53%	0.529	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	130.7	172.9	-67.3	167.7	0	0	0	110.1	V17 Q19 Y75 W90	V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 3.83Å; V17-L25 HydrophobicContact CG1-CG 4.39Å; Q19-L25 HydrophobicContact CB-CD2 4.09Å; L25-Y75 HydrophobicContact CD2-CD2 4.24Å; L25-Y75 HydrophobicContact CD2-CE2 4.08Å; L25-W90 HydrophobicContact CD1-CH2 3.95Å; L25-W90 HydrophobicContact CD1-CZ3 4.49Å; L25-W90 HydrophobicContact CD2-CZ3 4.42Å
26	E	96.3	Very high	96.4	Very high	67 Å²	67	50.2 Å²	50.2	31%	0.313	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118	175.4	-175.3	-178	-163.7	0	0	108.7	V17 R18 L44	V17-E26 CarbonylContact C-O 3.59Å; V17-E26 WeakPolarHBondContact CA-O 3.43Å; V17-E26 WeakPolarHBondContact CG1-O 3Å; R18-E26 HydrophobicContact CG-CB 4.13Å; R18-E26 IonicContact CZ-OE2 3.18Å; R18-E26 PolarHBondContact N-O 2.84Å; R18-E26 IonicContact NE-OE2 2.73Å; R18-E26 PolarHBondContact NE-OE2 2.77Å; R18-E26 IonicContact NH2-OE1 3.94Å; R18-E26 IonicContact NH2-OE2 2.71Å; R18-E26 PolarHBondContact NH2-OE2 2.9Å; R18-E26 PolarHBondContact O-N 2.78Å; E26-L44 HydrophobicContact CG-CD1 4.24Å
27	W	96.4	Very high	96.2	Very high	82 Å²	82	52.3 Å²	52.3	31%	0.311	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	131.3	176.6	-179.5	80.6	0	0	0	110.2	S15 G29 V30 N39 T41 F87	S15-W27 PolarHBondContact OG-NE1 3.09Å; S15-W27 VanDerWaalsContact OG-NE1 3.14Å; W27-G29 VanDerWaalsContact CE2-C 3.42Å; W27-G29 VanDerWaalsContact CZ2-CA 3.41Å; W27-G29 PolarHBondContact NE1-O 2.61Å; W27-V30 HydrophobicContact CH2-CG1 4.36Å; W27-V30 HydrophobicContact CZ2-CB 3.69Å; W27-V30 HydrophobicContact CZ2-CG1 3.66Å; W27-V30 VanDerWaalsContact CZ2-N 3.31Å; W27-N39 HydrophobicContact CH2-CB 3.88Å; W27-T41 WeakPolarHBondContact O-CB 3.3Å; W27-T41 PolarHBondContact O-OG1 2.76Å; W27-F87 AromaticContact CD1-CZ 3.8Å
28	I	97.2	Very high	96.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-48	178.5	-64.6	165.5	0	0	0	110.1	W16 R18 Y40 T41 L44 F48 L61 Y74	W16-I28 HydrophobicContact CB-CB 4.05Å; W16-I28 HydrophobicContact CB-CD1 4.02Å; W16-I28 WeakPolarHBondContact O-CB 3.42Å; W16-I28 PolarHBondContact O-N 2.92Å; R18-I28 HydrophobicContact CB-CD1 3.94Å; R18-I28 HydrophobicContact CB-CG1 4.43Å; R18-I28 HydrophobicContact CG-CD1 4.12Å; R18-I28 HydrophobicContact CG-CG1 4.12Å; I28-Y40 WeakPolarHBondContact O-CA 3.46Å; I28-T41 PolarHBondContact O-N 3.21Å; I28-L44 HydrophobicContact CB-CD1 4.44Å; I28-L44 HydrophobicContact CG1-CD1 4.02Å; I28-F48 HydrophobicContact CG2-CB 4.03Å; I28-F48 HydrophobicContact CG2-CD2 3.79Å; I28-F48 HydrophobicContact CG2-CG 4.07Å; I28-L61 HydrophobicContact CD1-CD2 4.01Å; I28-L61 HydrophobicContact CG2-CD1 4.35Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.57Å
29	G	96.4	Very high	96.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173	174.4	-175.3	0	0	0	0	0	113.2	S15 W16 W27 N39 I50	S15-G29 WeakPolarHBondContact CA-O 3.41Å; S15-G29 WeakPolarHBondContact CB-O 3.35Å; S15-G29 PolarHBondContact OG-O 2.8Å; W16-G29 PolarHBondContact N-O 2.88Å; W16-G29 PolarHBondContact O-N 2.98Å; W27-G29 VanDerWaalsContact CE2-C 3.42Å; W27-G29 VanDerWaalsContact CZ2-CA 3.41Å; W27-G29 PolarHBondContact NE1-O 2.61Å; G29-N39 CarbonylContact C-O 3.59Å; G29-N39 WeakPolarHBondContact CA-O 3.39Å; G29-I50 VanDerWaalsContact C-CD1 3.44Å
30	V	96.2	Very high	96	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.006	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.1	177	72	0	0	0	0	110.5	W13 M14 S15 W27 I38 N39	W13-V30 HydrophobicContact CB-CG2 3.94Å; W13-V30 HydrophobicContact CD2-CG2 4.47Å; W13-V30 HydrophobicContact CE3-CB 4.46Å; W13-V30 HydrophobicContact CE3-CG1 3.91Å; W13-V30 HydrophobicContact CE3-CG2 3.69Å; W13-V30 HydrophobicContact CZ3-CG1 4.03Å; M14-V30 CarbonylContact O-C 3.56Å; M14-V30 VanDerWaalsContact O-CA 3.3Å; M14-V30 WeakPolarHBondContact O-CA 3.49Å; M14-V30 VanDerWaalsContact O-CG2 3.28Å; M14-V30 WeakPolarHBondContact O-CG2 3.11Å; S15-V30 VanDerWaalsContact OG-CB 3.3Å; S15-V30 WeakPolarHBondContact OG-CB 3.47Å; S15-V30 VanDerWaalsContact OG-CG2 3.24Å; S15-V30 WeakPolarHBondContact OG-CG2 3.41Å; W27-V30 HydrophobicContact CH2-CG1 4.36Å; W27-V30 HydrophobicContact CZ2-CB 3.69Å; W27-V30 HydrophobicContact CZ2-CG1 3.66Å; W27-V30 VanDerWaalsContact CZ2-N 3.31Å; V30-I38 VanDerWaalsContact O-CA 3.31Å; V30-I38 WeakPolarHBondContact O-CA 3.35Å; V30-I38 WeakPolarHBondContact O-CG2 3.39Å; V30-N39 HydrophobicContact CG1-CB 4.15Å; V30-N39 PolarHBondContact N-O 3.48Å; V30-N39 PolarHBondContact O-N 3.16Å
31	I	96.8	Very high	96	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.8	170.1	-174.6	160.2	0	0	0	109.9	M14 I38 I50 R52 L59	M14-I31 HydrophobicContact CB-CG2 4.03Å; M14-I31 PolarHBondContact N-O 3.16Å; M14-I31 PolarHBondContact O-N 2.77Å; I31-I38 HydrophobicContact CB-CG1 4.32Å; I31-I38 HydrophobicContact CD1-CD1 3.91Å; I31-I38 HydrophobicContact CD1-CG1 3.95Å; I31-I38 HydrophobicContact CG1-CD1 4.45Å; I31-I38 HydrophobicContact CG1-CG1 3.93Å; I31-I50 HydrophobicContact CB-CG2 3.84Å; I31-I50 HydrophobicContact CD1-CG2 4.49Å; I31-I50 HydrophobicContact CG2-CG2 3.61Å; I31-R52 HydrophobicContact CD1-CB 4.48Å; I31-R52 HydrophobicContact CD1-CG 3.86Å; I31-R52 HydrophobicContact CG1-CG 4.32Å; I31-R52 HydrophobicContact CG2-CB 4.5Å; I31-L59 HydrophobicContact CG2-CD1 3.51Å
32	N	94.9	Very high	95.9	Very high	13 Å²	13	57.9 Å²	57.9	7%	0.07	35%	0.346	C	S	.	.			trans	-79.8	167.3	179.5	74.5	-25.8	0	0	0	112.3	W13 D34 S35 S36 T37 R52	W13-N32 HydrophobicContact CD2-CB 3.79Å; W13-N32 HydrophobicContact CE3-CB 3.65Å; W13-N32 HydrophobicContact CH2-CB 3.49Å; W13-N32 VanDerWaalsContact CH2-CB 3.49Å; W13-N32 HydrophobicContact CZ2-CB 3.6Å; W13-N32 HydrophobicContact CZ3-CB 3.51Å; N32-D34 PolarHBondContact ND2-OD1 2.86Å; N32-D34 PolarHBondContact O-N 2.84Å; N32-D34 PolarHBondContact OD1-OD1 2.88Å; N32-D34 VanDerWaalsContact OD1-OD1 3.12Å; N32-S35 PolarHBondContact O-N 2.94Å; N32-S35 VanDerWaalsContact OD1-C 3.24Å; N32-S35 WeakPolarHBondContact OD1-CA 3.2Å; N32-S35 PolarHBondContact OD1-N 3.42Å; N32-S35 VanDerWaalsContact OD1-N 3.08Å; N32-S36 PolarHBondContact ND2-OG 2.02Å; N32-S36 PolarHBondContact OD1-N 2.85Å; N32-T37 PolarHBondContact N-O 2.91Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact ND2-N 2.93Å; N32-T37 PolarHBondContact OD1-N 3.46Å; N32-T37 PolarHBondContact OD1-O 3.06Å; N32-T37 VanDerWaalsContact OD1-O 3.08Å; N32-R52 VanDerWaalsContact C-NH1 3.34Å; N32-R52 WeakPolarHBondContact O-CD 2.96Å; N32-R52 PolarHBondContact O-NH1 3.2Å
33	P	95.4	Very high	95.8	Very high	32 Å²	32	57.5 Å²	57.5	21%	0.208	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-49.3	177.9	-42.1	44.8	0	0	0	117.3	S10 N54	S10-P33 VanDerWaalsContact O-CB 3.29Å; S10-P33 WeakPolarHBondContact O-CB 3.24Å; P33-N54 PolarHBondContact O-ND2 3.03Å
34	D	94.8	Very high	95.7	Very high	108 Å²	108	50.5 Å²	50.5	58%	0.578	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	3.1	-174.4	68.4	-2.1	0	0	0	113.1	N32 S36	N32-D34 PolarHBondContact ND2-OD1 2.86Å; N32-D34 PolarHBondContact O-N 2.84Å; N32-D34 PolarHBondContact OD1-OD1 2.88Å; N32-D34 VanDerWaalsContact OD1-OD1 3.12Å; D34-S36 VanDerWaalsContact CG-OG 3.25Å; D34-S36 PolarHBondContact O-N 3.36Å; D34-S36 VanDerWaalsContact OD1-CB 3.3Å; D34-S36 WeakPolarHBondContact OD1-CB 3.41Å; D34-S36 PolarHBondContact OD1-N 3.03Å; D34-S36 PolarHBondContact OD1-OG 3.26Å; D34-S36 PolarHBondContact OD2-OG 3.32Å; D34-S36 VanDerWaalsContact OD2-OG 3.11Å
35	S	96.1	Very high	95.5	Very high	52 Å²	52	54 Å²	54	36%	0.364	30%	0.299	S	S	.	.	S	Bend	trans	62.4	10.8	-176.1	-46.7	0	0	0	0	115.6	N32 T37 R52	N32-S35 PolarHBondContact O-N 2.94Å; N32-S35 VanDerWaalsContact OD1-C 3.24Å; N32-S35 WeakPolarHBondContact OD1-CA 3.2Å; N32-S35 PolarHBondContact OD1-N 3.42Å; N32-S35 VanDerWaalsContact OD1-N 3.08Å; S35-T37 VanDerWaalsContact C-N 3.29Å; S35-T37 PolarHBondContact O-N 3.14Å; S35-R52 WeakPolarHBondContact OG-CD 3.36Å; S35-R52 WeakPolarHBondContact OG-CG 3.3Å
36	S	95.9	Very high	95.4	Very high	85 Å²	85	55 Å²	55	59%	0.594	31%	0.305	S	S	*	.	S	Bend	trans	-72.5	-22.7	178.2	66.2	0	0	0	0	113.2	N32 D34	N32-S36 PolarHBondContact ND2-OG 2.02Å; N32-S36 PolarHBondContact OD1-N 2.85Å; D34-S36 VanDerWaalsContact CG-OG 3.25Å; D34-S36 PolarHBondContact O-N 3.36Å; D34-S36 VanDerWaalsContact OD1-CB 3.3Å; D34-S36 WeakPolarHBondContact OD1-CB 3.41Å; D34-S36 PolarHBondContact OD1-N 3.03Å; D34-S36 PolarHBondContact OD1-OG 3.26Å; D34-S36 PolarHBondContact OD2-OG 3.32Å; D34-S36 VanDerWaalsContact OD2-OG 3.11Å
37	T	95.3	Very high	95.4	Very high	53 Å²	53	53.1 Å²	53.1	33%	0.325	30%	0.295	S	S	.	.			trans	-127.6	128.4	-178.4	-56.3	0	0	0	0	110.8	W13 N32 S35	W13-T37 HydrophobicContact CH2-CG2 4.47Å; N32-T37 PolarHBondContact N-O 2.91Å; N32-T37 VanDerWaalsContact N-O 3.11Å; N32-T37 PolarHBondContact ND2-N 2.93Å; N32-T37 PolarHBondContact OD1-N 3.46Å; N32-T37 PolarHBondContact OD1-O 3.06Å; N32-T37 VanDerWaalsContact OD1-O 3.08Å; S35-T37 VanDerWaalsContact C-N 3.29Å; S35-T37 PolarHBondContact O-N 3.14Å
38	I	96.4	Very high	95.4	Very high	63 Å²	63	49.2 Å²	49.2	32%	0.323	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.6	171.7	-46.6	173.9	0	0	0	108.8	V30 I31 Y40 I50	V30-I38 VanDerWaalsContact O-CA 3.31Å; V30-I38 WeakPolarHBondContact O-CA 3.35Å; V30-I38 WeakPolarHBondContact O-CG2 3.39Å; I31-I38 HydrophobicContact CB-CG1 4.32Å; I31-I38 HydrophobicContact CD1-CD1 3.91Å; I31-I38 HydrophobicContact CD1-CG1 3.95Å; I31-I38 HydrophobicContact CG1-CD1 4.45Å; I31-I38 HydrophobicContact CG1-CG1 3.93Å; I38-Y40 HydrophobicContact CB-CE2 3.99Å; I38-Y40 HydrophobicContact CG2-CD2 4.01Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 3.27Å; I38-I50 HydrophobicContact CG2-CB 4.26Å
39	N	95.8	Very high	95.4	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.8	174.8	-63.7	-51.6	0	0	0	109.8	W27 G29 V30	W27-N39 HydrophobicContact CH2-CB 3.88Å; G29-N39 CarbonylContact C-O 3.59Å; G29-N39 WeakPolarHBondContact CA-O 3.39Å; V30-N39 HydrophobicContact CG1-CB 4.15Å; V30-N39 PolarHBondContact N-O 3.48Å; V30-N39 PolarHBondContact O-N 3.16Å
40	Y	96.6	Very high	95.4	Very high	43 Å²	43	53.2 Å²	53.2	17%	0.169	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.1	-178.3	-68.5	-90.3	0	0	0	110.6	I28 I38 K45 F48 I50	I28-Y40 WeakPolarHBondContact O-CA 3.46Å; I38-Y40 HydrophobicContact CB-CE2 3.99Å; I38-Y40 HydrophobicContact CG2-CD2 4.01Å; I38-Y40 HydrophobicContact CG2-CE1 4.4Å; I38-Y40 HydrophobicContact CG2-CE2 3.27Å; Y40-K45 HydrophobicContact CD2-CD 4.45Å; Y40-K45 HydrophobicContact CD2-CG 3.95Å; Y40-K45 HydrophobicContact CG-CB 4.14Å; Y40-K45 HydrophobicContact CG-CG 4.01Å; Y40-F48 WeakPolarHBondContact CE1-O 3.31Å; Y40-I50 HydrophobicContact CD1-CD1 4.35Å; Y40-I50 HydrophobicContact CE1-CB 4.43Å; Y40-I50 HydrophobicContact CE1-CD1 3.88Å; Y40-I50 HydrophobicContact CE1-CG1 3.81Å; Y40-I50 PolarHBondContact OH-N 3.09Å
41	T	95.8	Very high	95.5	Very high	31 Å²	31	55.7 Å²	55.7	19%	0.19	32%	0.318	C	S	.	.			trans	-64.3	125.7	157.2	-68.6	0	0	0	0	108.7	W27 I28 S43 L44 K45	W27-T41 WeakPolarHBondContact O-CB 3.3Å; W27-T41 PolarHBondContact O-OG1 2.76Å; I28-T41 PolarHBondContact O-N 3.21Å; T41-S43 VanDerWaalsContact C-N 3.29Å; T41-S43 WeakPolarHBondContact CG2-OG 3.28Å; T41-S43 PolarHBondContact O-N 3.2Å; T41-S43 VanDerWaalsContact O-N 3.16Å; T41-L44 HydrophobicContact CG2-CD1 4.28Å; T41-L44 HydrophobicContact CG2-CG 4.13Å; T41-L44 PolarHBondContact O-N 3.26Å; T41-K45 PolarHBondContact O-N 3.18Å
42	P	94.9	Very high	95.6	Very high	116 Å²	116	56.8 Å²	56.8	75%	0.753	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-40.1	-172.1	-30.6	36	0	0	0	114.7	L44	P42-L44 PolarHBondContact O-N 2.91Å
43	S	92.4	Very high	95.8	Very high	83 Å²	83	58.2 Å²	58.2	58%	0.58	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.9	178.8	54.3	0	0	0	0	114.3	T41	T41-S43 VanDerWaalsContact C-N 3.29Å; T41-S43 WeakPolarHBondContact CG2-OG 3.28Å; T41-S43 PolarHBondContact O-N 3.2Å; T41-S43 VanDerWaalsContact O-N 3.16Å
44	L	93.8	Very high	95.8	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.016	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-14.5	-172.8	-58.9	-173.7	0	0	0	113.2	R18 E26 I28 T41 P42 D46 K47 F48	R18-L44 VanDerWaalsContact NH2-CD2 3.31Å; E26-L44 HydrophobicContact CG-CD1 4.24Å; I28-L44 HydrophobicContact CB-CD1 4.44Å; I28-L44 HydrophobicContact CG1-CD1 4.02Å; T41-L44 HydrophobicContact CG2-CD1 4.28Å; T41-L44 HydrophobicContact CG2-CG 4.13Å; T41-L44 PolarHBondContact O-N 3.26Å; P42-L44 PolarHBondContact O-N 2.91Å; L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 PolarHBondContact O-N 3.15Å; L44-K47 PolarHBondContact O-N 2.83Å; L44-F48 HydrophobicContact CB-CD2 3.96Å; L44-F48 HydrophobicContact CB-CE2 4.24Å; L44-F48 HydrophobicContact CD2-CE2 4.22Å; L44-F48 WeakPolarHBondContact O-CD2 3.24Å; L44-F48 PolarHBondContact O-N 2.77Å
45	K	92.6	Very high	95.9	Very high	129 Å²	129	59 Å²	59	56%	0.561	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.2	-176	-175	-179.4	176.7	-176.1	0	113.7	Y40 T41 K47	Y40-K45 HydrophobicContact CD2-CD 4.45Å; Y40-K45 HydrophobicContact CD2-CG 3.95Å; Y40-K45 HydrophobicContact CG-CB 4.14Å; Y40-K45 HydrophobicContact CG-CG 4.01Å; T41-K45 PolarHBondContact O-N 3.18Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 2.84Å
46	D	93.4	Very high	96	Very high	122 Å²	122	62.7 Å²	62.7	65%	0.652	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.9	-177.5	-66.7	-26	0	0	0	113.7	L44	L44-D46 VanDerWaalsContact C-N 3.26Å; L44-D46 PolarHBondContact O-N 3.15Å
47	K	95.6	Very high	96.1	Very high	26 Å²	26	61.8 Å²	61.8	11%	0.113	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-32.8	-177.3	-61.9	-174.3	176.5	-167.9	0	112.5	L44 K45 S64 K65 E69 D70	L44-K47 PolarHBondContact O-N 2.83Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 2.84Å; K47-S64 PolarHBondContact O-N 2.78Å; K47-K65 HydrophobicContact CG-CB 4.47Å; K47-E69 IonicContact NZ-OE1 2.98Å; K47-E69 PolarHBondContact NZ-OE1 3.15Å; K47-D70 VanDerWaalsContact NZ-CG 3.26Å; K47-D70 IonicContact NZ-OD1 3.31Å; K47-D70 PolarHBondContact NZ-OD1 3.02Å; K47-D70 IonicContact NZ-OD2 3.87Å; K47-D70 PolarHBondContact NZ-OD2 2.78Å
48	F	96.6	Very high	96.2	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.8	-169.2	-58.3	-63.6	0	0	0	112.4	I28 Y40 L44 L61 Q62 M63 V66 Y74	I28-F48 HydrophobicContact CG2-CB 4.03Å; I28-F48 HydrophobicContact CG2-CD2 3.79Å; I28-F48 HydrophobicContact CG2-CG 4.07Å; Y40-F48 WeakPolarHBondContact CE1-O 3.31Å; L44-F48 HydrophobicContact CB-CD2 3.96Å; L44-F48 HydrophobicContact CB-CE2 4.24Å; L44-F48 HydrophobicContact CD2-CE2 4.22Å; L44-F48 WeakPolarHBondContact O-CD2 3.24Å; L44-F48 PolarHBondContact O-N 2.77Å; F48-L61 HydrophobicContact CB-CD1 3.79Å; F48-L61 HydrophobicContact CD1-CD1 4.28Å; F48-L61 HydrophobicContact CD1-CD2 4.31Å; F48-L61 HydrophobicContact CD1-CG 4.21Å; F48-L61 HydrophobicContact CG-CD1 4.24Å; F48-Q62 WeakPolarHBondContact CA-O 3.34Å; F48-M63 HydrophobicContact CD1-CB 4.25Å; F48-M63 HydrophobicContact CD1-CG 3.76Å; F48-M63 HydrophobicContact CE1-CB 4.2Å; F48-M63 HydrophobicContact CE1-CE 4.16Å; F48-M63 HydrophobicContact CE1-CG 3.73Å; F48-M63 HydrophobicContact CE1-SD 4.06Å; F48-V66 HydrophobicContact CE1-CG1 3.75Å; F48-V66 HydrophobicContact CZ-CG1 4.14Å; F48-Y74 HydrophobicContact CE1-CE1 4.12Å; F48-Y74 HydrophobicContact CZ-CE1 4.14Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.41Å
49	I	97.1	Very high	96.3	Very high	82 Å²	82	57 Å²	57	42%	0.421	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.9	172.5	-59.5	167.4	0	0	0	107.8	Q62	I49-Q62 HydrophobicContact CB-CB 4.21Å; I49-Q62 PolarHBondContact N-O 3.01Å; I49-Q62 PolarHBondContact O-N 2.99Å
50	I	98.1	Very high	96.4	Very high	3 Å²	3	57 Å²	57	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.2	175	-58.5	174.1	0	0	0	108.7	G29 I31 I38 Y40 L59 L61	G29-I50 VanDerWaalsContact C-CD1 3.44Å; I31-I50 HydrophobicContact CB-CG2 3.84Å; I31-I50 HydrophobicContact CD1-CG2 4.49Å; I31-I50 HydrophobicContact CG2-CG2 3.61Å; I38-I50 HydrophobicContact CG2-CB 4.26Å; Y40-I50 HydrophobicContact CD1-CD1 4.35Å; Y40-I50 HydrophobicContact CE1-CB 4.43Å; Y40-I50 HydrophobicContact CE1-CD1 3.88Å; Y40-I50 HydrophobicContact CE1-CG1 3.81Å; Y40-I50 PolarHBondContact OH-N 3.09Å; I50-L59 HydrophobicContact CG2-CD1 3.95Å; I50-L61 HydrophobicContact CG1-CD1 3.79Å
51	S	98.3	Very high	96.5	Very high	52 Å²	52	56.1 Å²	56.1	36%	0.364	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	165.3	171.3	62.5	0	0	0	0	110.4	Y60	S51-Y60 PolarHBondContact N-O 3.12Å; S51-Y60 PolarHBondContact O-N 2.8Å; S51-Y60 WeakPolarHBondContact OG-CB 3.28Å
52	R	98.2	Very high	96.6	Very high	25 Å²	25	59.9 Å²	59.9	9%	0.094	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.7	-178.4	63.7	-176.1	-69.2	162.4	3.4	111.5	F9 Y12 I31 N32 S35 N54 T58 L59	F9-R52 VanDerWaalsContact CD1-NH2 3.26Å; F9-R52 HydrophobicContact CE1-CB 4.24Å; F9-R52 HydrophobicContact CZ-CB 4.11Å; F9-R52 PolarHBondContact O-NH2 2.95Å; Y12-R52 PolarHBondContact O-NH1 2.85Å; I31-R52 HydrophobicContact CD1-CB 4.48Å; I31-R52 HydrophobicContact CD1-CG 3.86Å; I31-R52 HydrophobicContact CG1-CG 4.32Å; I31-R52 HydrophobicContact CG2-CB 4.5Å; N32-R52 VanDerWaalsContact C-NH1 3.34Å; N32-R52 WeakPolarHBondContact O-CD 2.96Å; N32-R52 PolarHBondContact O-NH1 3.2Å; S35-R52 WeakPolarHBondContact OG-CD 3.36Å; S35-R52 WeakPolarHBondContact OG-CG 3.3Å; R52-N54 PolarHBondContact NE-OD1 2.82Å; R52-N54 PolarHBondContact NH2-OD1 2.9Å; R52-T58 CarbonylContact C-O 3.51Å; R52-T58 WeakPolarHBondContact CA-O 3.35Å; R52-L59 HydrophobicContact CB-CD1 4.2Å
53	D	98	Very high	96.7	Very high	43 Å²	43	57.2 Å²	57.2	23%	0.23	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	108	171.8	-176	-25.4	0	0	0	108.3	A55 K56 N57 T58 Y60	D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 WeakPolarHBondContact OD1-CB 3.36Å; D53-A55 PolarHBondContact OD1-N 2.95Å; D53-K56 HydrophobicContact CB-CB 4.18Å; D53-K56 PolarHBondContact O-N 3.1Å; D53-K56 PolarHBondContact OD1-N 2.79Å; D53-K56 VanDerWaalsContact OD1-N 3.09Å; D53-K56 WeakPolarHBondContact OD2-CD 2.99Å; D53-K56 WeakPolarHBondContact OD2-CE 3.19Å; D53-K56 WeakPolarHBondContact OD2-CG 3.4Å; D53-K56 IonicContact OD2-NZ 2.88Å; D53-K56 PolarHBondContact OD2-NZ 3.03Å; D53-N57 PolarHBondContact O-N 2.91Å; D53-T58 PolarHBondContact N-O 2.89Å; D53-T58 PolarHBondContact O-N 3.19Å; D53-Y60 HydrophobicContact CB-CE2 3.87Å
54	N	96.9	Very high	96.6	Very high	60 Å²	60	56.6 Å²	56.6	32%	0.321	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.6	-178.7	-72.6	-14.6	0	0	0	112.6	F9 P33 R52 K56 N57	F9-N54 WeakPolarHBondContact CD1-OD1 3.36Å; F9-N54 VanDerWaalsContact CE1-OD1 3.28Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.27Å; P33-N54 PolarHBondContact O-ND2 3.03Å; R52-N54 PolarHBondContact NE-OD1 2.82Å; R52-N54 PolarHBondContact NH2-OD1 2.9Å; N54-K56 VanDerWaalsContact C-N 3.27Å; N54-K56 PolarHBondContact O-N 2.9Å; N54-N57 PolarHBondContact O-N 3.48Å; N54-N57 PolarHBondContact O-OD1 3.28Å
55	A	96.4	Very high	96.5	Very high	96 Å²	96	63.1 Å²	63.1	79%	0.793	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-29.1	176.5	0	0	0	0	0	111.4	D53	D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 WeakPolarHBondContact OD1-CB 3.36Å; D53-A55 PolarHBondContact OD1-N 2.95Å
56	K	97.7	Very high	96.6	Very high	130 Å²	130	59.2 Å²	59.2	57%	0.565	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	1.7	177.7	-61.7	-179.2	-166.9	156.1	0	114.1	D53 N54 T58	D53-K56 HydrophobicContact CB-CB 4.18Å; D53-K56 PolarHBondContact O-N 3.1Å; D53-K56 PolarHBondContact OD1-N 2.79Å; D53-K56 VanDerWaalsContact OD1-N 3.09Å; D53-K56 WeakPolarHBondContact OD2-CD 2.99Å; D53-K56 WeakPolarHBondContact OD2-CE 3.19Å; D53-K56 WeakPolarHBondContact OD2-CG 3.4Å; D53-K56 IonicContact OD2-NZ 2.88Å; D53-K56 PolarHBondContact OD2-NZ 3.03Å; N54-K56 VanDerWaalsContact C-N 3.27Å; N54-K56 PolarHBondContact O-N 2.9Å; K56-T58 PolarHBondContact O-N 3.04Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.98Å
57	N	97.4	Very high	96.7	Very high	66 Å²	66	60.9 Å²	60.9	35%	0.353	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.9	40.5	-172	-61.8	-35	0	0	0	112.8	A4 F9 D53 N54	A4-N57 PolarHBondContact N-O 3.3Å; F9-N57 HydrophobicContact CB-CB 3.92Å; F9-N57 WeakPolarHBondContact CB-OD1 3.33Å; F9-N57 HydrophobicContact CD1-CB 4.35Å; F9-N57 HydrophobicContact CG-CB 4.1Å; D53-N57 PolarHBondContact O-N 2.91Å; N54-N57 PolarHBondContact O-N 3.48Å; N54-N57 PolarHBondContact O-OD1 3.28Å
58	T	98.4	Very high	96.7	Very high	15 Å²	15	63.3 Å²	63.3	9%	0.092	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.2	-169.8	-60.3	0	0	0	0	111.8	C2 R52 D53 K56 Y60	C2-T58 WeakPolarHBondContact O-CA 3.31Å; R52-T58 CarbonylContact C-O 3.51Å; R52-T58 WeakPolarHBondContact CA-O 3.35Å; D53-T58 PolarHBondContact N-O 2.89Å; D53-T58 PolarHBondContact O-N 3.19Å; K56-T58 PolarHBondContact O-N 3.04Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.98Å; T58-Y60 HydrophobicContact CG2-CD1 4.33Å; T58-Y60 HydrophobicContact CG2-CD2 4.29Å; T58-Y60 HydrophobicContact CG2-CE1 3.7Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.49Å
59	L	98.6	Very high	96.5	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.9	170.9	-173.5	71	0	0	0	110.5	S1 C2 F9 M14 W16 I31 I50 R52 C76	S1-L59 CarbonylContact C-O 3.59Å; S1-L59 WeakPolarHBondContact CA-O 3.29Å; C2-L59 HydrophobicContact CB-CB 4.41Å; C2-L59 PolarHBondContact N-O 3.32Å; C2-L59 PolarHBondContact O-N 3.25Å; F9-L59 HydrophobicContact CE2-CB 4.41Å; F9-L59 HydrophobicContact CZ-CB 4.36Å; M14-L59 HydrophobicContact CB-CD1 3.57Å; M14-L59 HydrophobicContact CB-CD2 3.85Å; M14-L59 HydrophobicContact CB-CG 4.2Å; M14-L59 HydrophobicContact CE-CD2 4.26Å; M14-L59 HydrophobicContact CG-CD1 4.41Å; W16-L59 HydrophobicContact CD2-CD2 4.25Å; W16-L59 HydrophobicContact CG-CD2 4.26Å; W16-L59 HydrophobicContact CZ2-CD2 4.11Å; W16-L59 HydrophobicContact CZ2-CG 4.23Å; W16-L59 VanDerWaalsContact NE1-CG 3.31Å; I31-L59 HydrophobicContact CG2-CD1 3.51Å; I50-L59 HydrophobicContact CG2-CD1 3.95Å; R52-L59 HydrophobicContact CB-CD1 4.2Å; L59-C76 HydrophobicContact CD2-CB 4.07Å
60	Y	98.6	Very high	96.5	Very high	73 Å²	73	65 Å²	65	29%	0.286	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.1	179.8	-59.1	-85.7	0	0	0	111.1	W16 S51 D53 T58	W16-Y60 PolarHBondContact NE1-O 3.08Å; W16-Y60 VanDerWaalsContact NE1-O 3.09Å; S51-Y60 PolarHBondContact N-O 3.12Å; S51-Y60 PolarHBondContact O-N 2.8Å; S51-Y60 WeakPolarHBondContact OG-CB 3.28Å; D53-Y60 HydrophobicContact CB-CE2 3.87Å; T58-Y60 HydrophobicContact CG2-CD1 4.33Å; T58-Y60 HydrophobicContact CG2-CD2 4.29Å; T58-Y60 HydrophobicContact CG2-CE1 3.7Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.49Å
61	L	98.4	Very high	96.5	Very high	23 Å²	23	66.1 Å²	66.1	12%	0.12	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	105.7	170.6	-171.6	64.5	0	0	0	106.5	W16 I28 F48 I50 M63 Y74	W16-L61 HydrophobicContact CB-CD1 4.28Å; W16-L61 HydrophobicContact CB-CD2 4.22Å; W16-L61 HydrophobicContact CD2-CB 3.83Å; W16-L61 HydrophobicContact CD2-CD2 3.85Å; W16-L61 HydrophobicContact CD2-CG 4.3Å; W16-L61 HydrophobicContact CE3-CB 4.44Å; W16-L61 HydrophobicContact CE3-CD2 4.02Å; W16-L61 HydrophobicContact CG-CB 4.11Å; W16-L61 HydrophobicContact CG-CD1 3.95Å; W16-L61 HydrophobicContact CG-CD2 3.93Å; W16-L61 HydrophobicContact CG-CG 4.24Å; W16-L61 HydrophobicContact CZ2-CB 3.92Å; I28-L61 HydrophobicContact CD1-CD2 4.01Å; I28-L61 HydrophobicContact CG2-CD1 4.35Å; F48-L61 HydrophobicContact CB-CD1 3.79Å; F48-L61 HydrophobicContact CD1-CD1 4.28Å; F48-L61 HydrophobicContact CD1-CD2 4.31Å; F48-L61 HydrophobicContact CD1-CG 4.21Å; F48-L61 HydrophobicContact CG-CD1 4.24Å; I50-L61 HydrophobicContact CG1-CD1 3.79Å; L61-M63 HydrophobicContact CD2-CE 3.51Å; L61-M63 HydrophobicContact CG-CE 4.19Å; L61-M63 HydrophobicContact CG-CG 4.41Å; L61-Y74 HydrophobicContact CD2-CD1 3.7Å; L61-Y74 HydrophobicContact CD2-CE1 3.99Å
62	Q	98	Very high	96.5	Very high	111 Å²	111	63.7 Å²	63.7	52%	0.519	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	130.8	171.3	176.5	178.7	-12.1	0	0	108.6	F48 I49	F48-Q62 WeakPolarHBondContact CA-O 3.34Å; I49-Q62 HydrophobicContact CB-CB 4.21Å; I49-Q62 PolarHBondContact N-O 3.01Å; I49-Q62 PolarHBondContact O-N 2.99Å
63	M	95.9	Very high	96.5	Very high	59 Å²	59	65.2 Å²	65.2	29%	0.291	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.5	-176.8	-57.1	-170.5	171.3	0	0	108.5	F48 L61 V66 Y74 V96	F48-M63 HydrophobicContact CD1-CB 4.25Å; F48-M63 HydrophobicContact CD1-CG 3.76Å; F48-M63 HydrophobicContact CE1-CB 4.2Å; F48-M63 HydrophobicContact CE1-CE 4.16Å; F48-M63 HydrophobicContact CE1-CG 3.73Å; F48-M63 HydrophobicContact CE1-SD 4.06Å; L61-M63 HydrophobicContact CD2-CE 3.51Å; L61-M63 HydrophobicContact CG-CE 4.19Å; L61-M63 HydrophobicContact CG-CG 4.41Å; M63-V66 HydrophobicContact CB-CG1 3.77Å; M63-V66 HydrophobicContact CG-CG1 4.43Å; M63-V66 HydrophobicContact SD-CG1 4.38Å; M63-Y74 HydrophobicContact CE-CD1 3.47Å; M63-Y74 VanDerWaalsContact CE-CD1 3.47Å; M63-Y74 HydrophobicContact CE-CD2 4.12Å; M63-Y74 HydrophobicContact CE-CE1 3.3Å; M63-Y74 HydrophobicContact CE-CE2 4Å; M63-Y74 HydrophobicContact CE-CG 3.87Å; M63-V96 HydrophobicContact CE-CG2 4.32Å; M63-V96 HydrophobicContact SD-CG1 4.26Å
64	S	91.6	Very high	96.5	Very high	70 Å²	70	63.3 Å²	63.3	49%	0.49	33%	0.328	S	S	.	.	S	Bend	trans	-115.1	-38.9	-170.6	-58.1	0	0	0	0	114.1	K47	K47-S64 PolarHBondContact O-N 2.78Å
65	K	91.1	Very high	96.6	Very high	140 Å²	140	62.2 Å²	62.2	61%	0.609	32%	0.319	S	S	*	.	S	Bend	trans	-119.8	40.2	-175.6	-60.9	-178.5	-174.3	168.9	0	111.8	K47	K47-K65 HydrophobicContact CG-CB 4.47Å
66	V	94.5	Very high	96.6	Very high	47 Å²	47	58.1 Å²	58.1	29%	0.285	29%	0.285	S	S	.	.			trans	-73.3	148.3	-178.6	-69.3	0	0	0	0	111.7	F48 M63 D70 V98	F48-V66 HydrophobicContact CE1-CG1 3.75Å; F48-V66 HydrophobicContact CZ-CG1 4.14Å; M63-V66 HydrophobicContact CB-CG1 3.77Å; M63-V66 HydrophobicContact CG-CG1 4.43Å; M63-V66 HydrophobicContact SD-CG1 4.38Å; V66-D70 WeakPolarHBondContact CA-OD2 3.48Å; V66-D70 HydrophobicContact CB-CB 4.22Å; V66-D70 HydrophobicContact CG1-CB 4.25Å; V66-V98 HydrophobicContact CB-CG2 4.27Å; V66-V98 HydrophobicContact CG2-CG1 4.33Å; V66-V98 HydrophobicContact CG2-CG2 4.16Å
67	R	95.1	Very high	96.5	Very high	158 Å²	158	52 Å²	52	60%	0.596	26%	0.259	S	S	*	.			trans	-128.2	172.7	178.5	-63.1	177.9	-172.9	179.8	-0.9	109.3	E69 D70 V98	R67-E69 HydrophobicContact CB-CG 3.68Å; R67-E69 PolarHBondContact O-N 2.86Å; R67-E69 VanDerWaalsContact O-N 3.16Å; R67-D70 PolarHBondContact N-OD2 2.85Å; R67-D70 WeakPolarHBondContact O-CB 3.28Å; R67-D70 PolarHBondContact O-N 3.13Å; R67-V98 WeakPolarHBondContact O-CB 3.29Å; R67-V98 WeakPolarHBondContact O-CG1 3.43Å
68	S	95.5	Very high	96.4	Very high	76 Å²	76	49 Å²	49	53%	0.531	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-55.2	-34.4	178.8	53.3	0	0	0	0	113.5	D70 T71 V98	S68-D70 PolarHBondContact O-N 2.73Å; S68-T71 VanDerWaalsContact O-CB 3.27Å; S68-T71 WeakPolarHBondContact O-CB 3.3Å; S68-T71 PolarHBondContact O-N 2.97Å; S68-T71 VanDerWaalsContact O-N 3.1Å; S68-T71 PolarHBondContact O-OG1 2.79Å; S68-V98 WeakPolarHBondContact CA-O 3.3Å
69	E	93.7	Very high	96	Very high	116 Å²	116	48.5 Å²	48.5	54%	0.542	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-60.9	-18.6	172.7	54.2	176	-155.2	0	0	114.7	K47 R67 T71	K47-E69 IonicContact NZ-OE1 2.98Å; K47-E69 PolarHBondContact NZ-OE1 3.15Å; R67-E69 HydrophobicContact CB-CG 3.68Å; R67-E69 PolarHBondContact O-N 2.86Å; R67-E69 VanDerWaalsContact O-N 3.16Å; E69-T71 VanDerWaalsContact C-N 3.28Å
70	D	95.9	Very high	95.4	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.011	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-87.8	3.1	177.3	-58	-57.1	0	0	0	112.3	R18 K47 V66 R67 S68 A72 Y74	R18-D70 IonicContact CZ-OD1 3.74Å; R18-D70 IonicContact NH1-OD1 2.76Å; R18-D70 PolarHBondContact NH1-OD1 3.01Å; R18-D70 IonicContact NH2-OD1 2.84Å; K47-D70 VanDerWaalsContact NZ-CG 3.26Å; K47-D70 IonicContact NZ-OD1 3.31Å; K47-D70 PolarHBondContact NZ-OD1 3.02Å; K47-D70 IonicContact NZ-OD2 3.87Å; K47-D70 PolarHBondContact NZ-OD2 2.78Å; V66-D70 WeakPolarHBondContact CA-OD2 3.48Å; V66-D70 HydrophobicContact CB-CB 4.22Å; V66-D70 HydrophobicContact CG1-CB 4.25Å; R67-D70 PolarHBondContact N-OD2 2.85Å; R67-D70 WeakPolarHBondContact O-CB 3.28Å; R67-D70 PolarHBondContact O-N 3.13Å; S68-D70 PolarHBondContact O-N 2.73Å; D70-A72 PolarHBondContact O-N 3.3Å; D70-Y74 PolarHBondContact O-OH 3.11Å
71	T	97.6	Very high	94.2	Very high	27 Å²	27	52.5 Å²	52.5	17%	0.166	26%	0.263	C	S	.	.			trans	-60.5	116.3	171.5	-67.4	0	0	0	0	110.6	P21 S68 E69 M95 V96 T97 V98	P21-T71 VanDerWaalsContact CD-O 3.29Å; P21-T71 WeakPolarHBondContact CD-O 3.19Å; S68-T71 VanDerWaalsContact O-CB 3.27Å; S68-T71 WeakPolarHBondContact O-CB 3.3Å; S68-T71 PolarHBondContact O-N 2.97Å; S68-T71 VanDerWaalsContact O-N 3.1Å; S68-T71 PolarHBondContact O-OG1 2.79Å; E69-T71 VanDerWaalsContact C-N 3.28Å; T71-M95 HydrophobicContact CG2-CE 3.44Å; T71-M95 VanDerWaalsContact CG2-CE 3.44Å; T71-V96 WeakPolarHBondContact CA-O 3.32Å; T71-T97 HydrophobicContact CG2-CG2 4.32Å; T71-V98 PolarHBondContact OG1-N 3.48Å; T71-V98 PolarHBondContact OG1-O 2.98Å
72	A	98	Very high	92.6	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	165.3	-173.6	0	0	0	0	0	112.3	R18 Q19 A20 D70 Y74 V96	R18-A72 HydrophobicContact CB-CB 3.99Å; R18-A72 HydrophobicContact CG-CB 4.49Å; Q19-A72 WeakPolarHBondContact O-CA 3.33Å; Q19-A72 WeakPolarHBondContact O-CB 3.4Å; A20-A72 HydrophobicContact CB-CB 4.44Å; D70-A72 PolarHBondContact O-N 3.3Å; A72-Y74 HydrophobicContact CB-CD2 4.22Å; A72-Y74 HydrophobicContact CB-CE2 3.76Å; A72-Y74 VanDerWaalsContact O-CD2 3.28Å; A72-Y74 WeakPolarHBondContact O-CD2 3.33Å; A72-V96 PolarHBondContact N-O 3.2Å; A72-V96 VanDerWaalsContact N-O 3.08Å; A72-V96 PolarHBondContact O-N 2.94Å
73	L	98.4	Very high	90.9	Very high	58 Å²	58	57.9 Å²	57.9	30%	0.304	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.7	158	-76	163.9	0	0	0	109.1	R18 Q19 Y75 T94 M95	R18-L73 CarbonylContact C-O 3.49Å; R18-L73 WeakPolarHBondContact CA-O 3.31Å; Q19-L73 HydrophobicContact CB-CB 4.45Å; Q19-L73 PolarHBondContact N-O 2.81Å; Q19-L73 PolarHBondContact O-N 3.18Å; L73-Y75 HydrophobicContact CB-CE2 3.64Å; L73-Y75 VanDerWaalsContact CD1-OH 3.31Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.38Å; L73-T94 CarbonylContact C-O 3.56Å; L73-T94 WeakPolarHBondContact CA-O 3.16Å; L73-M95 HydrophobicContact CD2-CB 3.89Å; L73-M95 HydrophobicContact CD2-SD 4.21Å; L73-M95 HydrophobicContact CG-SD 4.04Å
74	Y	98.5	Very high	89.2	Confident	3 Å²	3	60.9 Å²	60.9	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126	179.1	-74.4	-101.1	0	0	0	110.3	V17 R18 I28 F48 L61 M63 D70 A72 G93 T94 V96	V17-Y74 CarbonylContact O-C 3.42Å; V17-Y74 WeakPolarHBondContact O-CA 3.35Å; R18-Y74 HydrophobicContact CB-CD1 3.94Å; R18-Y74 HydrophobicContact CB-CE1 3.93Å; R18-Y74 HydrophobicContact CB-CG 4.29Å; I28-Y74 HydrophobicContact CD1-CD1 3.64Å; I28-Y74 HydrophobicContact CD1-CE1 3.57Å; F48-Y74 HydrophobicContact CE1-CE1 4.12Å; F48-Y74 HydrophobicContact CZ-CE1 4.14Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.41Å; L61-Y74 HydrophobicContact CD2-CD1 3.7Å; L61-Y74 HydrophobicContact CD2-CE1 3.99Å; M63-Y74 HydrophobicContact CE-CD1 3.47Å; M63-Y74 VanDerWaalsContact CE-CD1 3.47Å; M63-Y74 HydrophobicContact CE-CD2 4.12Å; M63-Y74 HydrophobicContact CE-CE1 3.3Å; M63-Y74 HydrophobicContact CE-CE2 4Å; M63-Y74 HydrophobicContact CE-CG 3.87Å; D70-Y74 PolarHBondContact O-OH 3.11Å; A72-Y74 HydrophobicContact CB-CD2 4.22Å; A72-Y74 HydrophobicContact CB-CE2 3.76Å; A72-Y74 VanDerWaalsContact O-CD2 3.28Å; A72-Y74 WeakPolarHBondContact O-CD2 3.33Å; Y74-G93 CarbonylContact O-C 3.59Å; Y74-G93 VanDerWaalsContact O-CA 3.24Å; Y74-G93 WeakPolarHBondContact O-CA 3.44Å; Y74-T94 PolarHBondContact N-O 2.69Å; Y74-T94 PolarHBondContact O-N 2.68Å; Y74-V96 HydrophobicContact CD2-CB 3.77Å; Y74-V96 HydrophobicContact CD2-CG2 3.65Å; Y74-V96 HydrophobicContact CE2-CB 3.73Å; Y74-V96 HydrophobicContact CE2-CG1 4.46Å; Y74-V96 HydrophobicContact CE2-CG2 4.06Å; Y74-V96 HydrophobicContact CG-CG2 4.37Å
75	Y	98.4	Very high	87.9	Confident	36 Å²	36	67.8 Å²	67.8	14%	0.141	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.9	-177.6	-51.9	-91.8	0	0	0	109.7	W16 V17 Q19 L25 L73 W90	W16-Y75 WeakPolarHBondContact CA-O 3.46Å; W16-Y75 VanDerWaalsContact CE3-O 3.23Å; V17-Y75 PolarHBondContact N-O 2.99Å; V17-Y75 PolarHBondContact O-N 3.08Å; Q19-Y75 HydrophobicContact CB-CE2 3.93Å; Q19-Y75 PolarHBondContact OE1-OH 3.08Å; L25-Y75 HydrophobicContact CD2-CD2 4.24Å; L25-Y75 HydrophobicContact CD2-CE2 4.08Å; L73-Y75 HydrophobicContact CB-CE2 3.64Å; L73-Y75 VanDerWaalsContact CD1-OH 3.31Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.38Å; Y75-W90 HydrophobicContact CG-CE3 4.31Å; Y75-W90 HydrophobicContact CG-CZ3 4.37Å
76	C	97.5	Very high	86.9	Confident	11 Å²	11	69.3 Å²	69.3	7%	0.074	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	147.8	158.7	54	0	0	0	0	109.3	C2 S15 W16 L59 G91	C2-C76 HydrophobicContact CB-CB 3.37Å; C2-C76 WeakPolarHBondContact CB-SG 3.47Å; C2-C76 WeakPolarHBondContact SG-CB 3.28Å; C2-C76 CovalentContact SG-SG 2.02Å; C2-C76 PolarHBondContact SG-SG 2.93Å; S15-C76 CarbonylContact O-C 3.4Å; S15-C76 VanDerWaalsContact O-CA 3.3Å; S15-C76 WeakPolarHBondContact O-CA 3.42Å; W16-C76 HydrophobicContact CE3-CB 4.41Å; W16-C76 HydrophobicContact CH2-CB 4.25Å; W16-C76 HydrophobicContact CZ2-CB 4.48Å; W16-C76 HydrophobicContact CZ3-CB 4.22Å; L59-C76 HydrophobicContact CD2-CB 4.07Å; C76-G91 PolarHBondContact O-N 3.02Å
77	A	96.2	Very high	86.2	Confident	2 Å²	2	69.8 Å²	69.8	2%	0.017	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.9	174.5	0	0	0	0	0	110.4	S15 F87 V89 W90	S15-A77 PolarHBondContact N-O 3.4Å; S15-A77 PolarHBondContact O-N 3.12Å; A77-F87 HydrophobicContact CB-CB 3.96Å; A77-F87 HydrophobicContact CB-CD1 3.53Å; A77-F87 HydrophobicContact CB-CD2 4.16Å; A77-F87 HydrophobicContact CB-CE1 4.04Å; A77-F87 HydrophobicContact CB-CG 3.6Å; A77-V89 CarbonylContact C-O 3.39Å; A77-V89 WeakPolarHBondContact CA-O 3.37Å; A77-W90 HydrophobicContact CB-CD2 3.9Å; A77-W90 HydrophobicContact CB-CE3 3.98Å; A77-W90 HydrophobicContact CB-CG 4.35Å; A77-W90 HydrophobicContact CB-CZ3 4.33Å
78	S	93.9	Very high	85.6	Confident	3 Å²	3	67 Å²	67	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.4	178.4	66.7	0	0	0	0	111.8	W13 M14 D88 V89	W13-S78 WeakPolarHBondContact O-CA 3.44Å; M14-S78 WeakPolarHBondContact SD-CB 3.39Å; S78-D88 PolarHBondContact O-N 3.21Å; S78-V89 PolarHBondContact N-O 2.98Å; S78-V89 PolarHBondContact O-N 2.93Å; S78-V89 WeakPolarHBondContact OG-CB 3.13Å
79	H	89.8	Confident	85.3	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.019	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.7	166.1	65.7	-88.5	0	0	0	111.8	Y12 W13 G81 S83 Y86 F87 D88	Y12-H79 VanDerWaalsContact CD1-C 3.5Å; Y12-H79 WeakPolarHBondContact CD1-O 3.36Å; W13-H79 WeakPolarHBondContact CB-CE1 3.5Å; W13-H79 WeakPolarHBondContact CB-NE2 3.15Å; W13-H79 AromaticContact CG-NE2 3.66Å; W13-H79 PolarHBondContact N-O 3.05Å; W13-H79 PolarHBondContact O-N 3.47Å; W13-H79 VanDerWaalsContact O-N 3.1Å; H79-G81 PolarHBondContact CD2-O 3.09Å; H79-S83 PolarHBondContact CD2-O 3.49Å; H79-Y86 VanDerWaalsContact CB-O 3.28Å; H79-Y86 WeakPolarHBondContact CB-O 3.2Å; H79-F87 AromaticContact ND1-CE1 3.91Å; H79-D88 VanDerWaalsContact CA-OD2 3.28Å; H79-D88 WeakPolarHBondContact CA-OD2 3.17Å
80	Y	86.3	Confident	85.3	Confident	132 Å²	132	66.2 Å²	66.2	52%	0.518	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	130.5	177.7	-170.9	-107.3	0	0	0	112.2	R11 Y12 D88	R11-Y80 HydrophobicContact CB-CE2 4.25Å; Y12-Y80 HydrophobicContact CD2-CD2 4.01Å; Y12-Y80 HydrophobicContact CE1-CD2 4.13Å; Y12-Y80 HydrophobicContact CE1-CG 4.33Å; Y12-Y80 AromaticContact CE2-CD2 3.57Å; Y12-Y80 HydrophobicContact CE2-CD2 3.57Å; Y12-Y80 HydrophobicContact CE2-CE2 4.24Å; Y12-Y80 HydrophobicContact CE2-CG 4.5Å; Y12-Y80 HydrophobicContact CG-CD2 4.48Å; Y12-Y80 AromaticContact CZ-CD2 3.63Å; Y80-D88 PolarHBondContact N-OD2 3.19Å
81	G	74.7	Confident	85.3	Confident	25 Å²	25	67.3 Å²	67.3	26%	0.258	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	-154.3	175.1	0	0	0	0	0	114.9	W13 H79	W13-G81 PolarHBondContact NE1-O 3.41Å; H79-G81 PolarHBondContact CD2-O 3.09Å
82	Y	63.7	Low	85.2	Confident	193 Å²	193	71.1 Å²	71.1	76%	0.757	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	9.3	-172.7	-64.4	-76.8	0	0	0	114.8	W13 Y84	W13-Y82 HydrophobicContact CZ2-CD1 4.36Å; W13-Y82 HydrophobicContact CZ2-CE1 4.37Å; Y82-Y84 WeakPolarHBondContact O-CD2 3.36Å; Y82-Y84 PolarHBondContact O-N 3.31Å; Y82-Y84 VanDerWaalsContact O-N 3.15Å
83	S	62.8	Low	85.2	Confident	54 Å²	54	72.6 Å²	72.6	38%	0.378	36%	0.359	S	S	.	.			trans	-82.2	94.4	-178.7	-176	0	0	0	0	110.5	H79 W85	H79-S83 PolarHBondContact CD2-O 3.49Å; S83-W85 PolarHBondContact O-N 2.62Å
84	Y	59.6	Low	85.2	Confident	122 Å²	122	73.8 Å²	73.8	48%	0.478	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-1.9	175.9	-60.4	-75.6	0	0	0	114.3	W13 Y82	W13-Y84 HydrophobicContact CE3-CE1 4.3Å; W13-Y84 HydrophobicContact CH2-CE1 4.33Å; W13-Y84 WeakPolarHBondContact CH2-OH 3.39Å; W13-Y84 HydrophobicContact CZ3-CE1 4.03Å; Y82-Y84 WeakPolarHBondContact O-CD2 3.36Å; Y82-Y84 PolarHBondContact O-N 3.31Å; Y82-Y84 VanDerWaalsContact O-N 3.15Å
85	W	64.1	Low	85.1	Confident	214 Å²	214	78 Å²	78	81%	0.811	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-19.2	-166.5	-58.5	105	0	0	0	114.2	S83	S83-W85 PolarHBondContact O-N 2.62Å
86	Y	69.8	Low	85.1	Confident	173 Å²	173	78.1 Å²	78.1	68%	0.678	39%	0.394	S	S	*	.			trans	-142.9	141.7	-176.9	-57.5	-77.9	0	0	0	111.2	H79	H79-Y86 VanDerWaalsContact CB-O 3.28Å; H79-Y86 WeakPolarHBondContact CB-O 3.2Å
87	F	80.7	Confident	85.1	Confident	57 Å²	57	82.6 Å²	82.6	25%	0.25	42%	0.421	C	S	.	.			trans	-100.1	126	170.8	-68.3	-63	0	0	0	109.4	S15 V17 W27 A77 H79 W90	S15-F87 VanDerWaalsContact CB-CE1 3.41Å; S15-F87 VanDerWaalsContact OG-CE1 3.31Å; S15-F87 WeakPolarHBondContact OG-CE1 3.2Å; V17-F87 HydrophobicContact CG2-CE2 4.11Å; V17-F87 HydrophobicContact CG2-CZ 4.32Å; W27-F87 AromaticContact CD1-CZ 3.8Å; A77-F87 HydrophobicContact CB-CB 3.96Å; A77-F87 HydrophobicContact CB-CD1 3.53Å; A77-F87 HydrophobicContact CB-CD2 4.16Å; A77-F87 HydrophobicContact CB-CE1 4.04Å; A77-F87 HydrophobicContact CB-CG 3.6Å; H79-F87 AromaticContact ND1-CE1 3.91Å; F87-W90 HydrophobicContact CB-CZ2 4.06Å; F87-W90 VanDerWaalsContact CB-NE1 3.34Å; F87-W90 AromaticContact CD2-CE2 3.93Å; F87-W90 AromaticContact CD2-CH2 3.92Å; F87-W90 HydrophobicContact CD2-CH2 3.92Å; F87-W90 AromaticContact CD2-CZ2 3.34Å; F87-W90 HydrophobicContact CD2-CZ2 3.34Å; F87-W90 HydrophobicContact CE2-CH2 4.27Å; F87-W90 HydrophobicContact CE2-CZ2 4.11Å; F87-W90 HydrophobicContact CG-CZ2 4.02Å
88	D	81.8	Confident	85	Confident	99 Å²	99	83.9 Å²	83.9	53%	0.529	43%	0.428	S	S	.	.	S	Bend	trans	-78.8	-35.9	-176.8	-59.3	-42	0	0	0	111.5	S78 H79 Y80	S78-D88 PolarHBondContact O-N 3.21Å; H79-D88 VanDerWaalsContact CA-OD2 3.28Å; H79-D88 WeakPolarHBondContact CA-OD2 3.17Å; Y80-D88 PolarHBondContact N-OD2 3.19Å
89	V	89.1	Confident	84.9	Confident	70 Å²	70	88.6 Å²	88.6	42%	0.424	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.4	-176.6	-172.9	0	0	0	0	109.8	A77 S78	A77-V89 CarbonylContact C-O 3.39Å; A77-V89 WeakPolarHBondContact CA-O 3.37Å; S78-V89 PolarHBondContact N-O 2.98Å; S78-V89 PolarHBondContact O-N 2.93Å; S78-V89 WeakPolarHBondContact OG-CB 3.13Å
90	W	95.3	Very high	84.4	Confident	105 Å²	105	96.9 Å²	96.9	40%	0.398	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	141.2	176.1	-71.4	78.8	0	0	0	110.8	V17 L25 Y75 A77 F87	V17-W90 HydrophobicContact CB-CH2 4.11Å; V17-W90 HydrophobicContact CB-CZ3 3.79Å; V17-W90 HydrophobicContact CG1-CH2 3.98Å; V17-W90 HydrophobicContact CG1-CZ3 3.95Å; V17-W90 HydrophobicContact CG2-CH2 3.82Å; V17-W90 HydrophobicContact CG2-CZ3 3.86Å; L25-W90 HydrophobicContact CD1-CH2 3.95Å; L25-W90 HydrophobicContact CD1-CZ3 4.49Å; L25-W90 HydrophobicContact CD2-CZ3 4.42Å; Y75-W90 HydrophobicContact CG-CE3 4.31Å; Y75-W90 HydrophobicContact CG-CZ3 4.37Å; A77-W90 HydrophobicContact CB-CD2 3.9Å; A77-W90 HydrophobicContact CB-CE3 3.98Å; A77-W90 HydrophobicContact CB-CG 4.35Å; A77-W90 HydrophobicContact CB-CZ3 4.33Å; F87-W90 HydrophobicContact CB-CZ2 4.06Å; F87-W90 VanDerWaalsContact CB-NE1 3.34Å; F87-W90 AromaticContact CD2-CE2 3.93Å; F87-W90 AromaticContact CD2-CH2 3.92Å; F87-W90 HydrophobicContact CD2-CH2 3.92Å; F87-W90 AromaticContact CD2-CZ2 3.34Å; F87-W90 HydrophobicContact CD2-CZ2 3.34Å; F87-W90 HydrophobicContact CE2-CH2 4.27Å; F87-W90 HydrophobicContact CE2-CZ2 4.11Å; F87-W90 HydrophobicContact CG-CZ2 4.02Å
91	G	96	Very high	84.3	Confident	25 Å²	25	95.2 Å²	95.2	26%	0.258	52%	0.52	S	S	.	.			trans	-73.3	159.9	164.5	0	0	0	0	0	111.4	C76 G93	C76-G91 PolarHBondContact O-N 3.02Å; G91-G93 PolarHBondContact O-N 3.11Å; G91-G93 VanDerWaalsContact O-N 3.09Å
92	A	95.6	Very high	84.8	Confident	107 Å²	107	98.8 Å²	98.8	88%	0.884	53%	0.534	S	S	*	.			trans	-63.3	-15.8	179.9	0	0	0	0	0	114.4
93	G	96.8	Very high	86	Confident	32 Å²	32	93.6 Å²	93.6	33%	0.33	52%	0.522	S	S	.	.			trans	87.5	157	-176.2	0	0	0	0	0	113	Y74 G91	Y74-G93 CarbonylContact O-C 3.59Å; Y74-G93 VanDerWaalsContact O-CA 3.24Å; Y74-G93 WeakPolarHBondContact O-CA 3.44Å; G91-G93 PolarHBondContact O-N 3.11Å; G91-G93 VanDerWaalsContact O-N 3.09Å
94	T	98	Very high	87.3	Confident	82 Å²	82	95.9 Å²	95.9	50%	0.503	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.6	173.1	-171.6	0	0	0	0	110.4	L73 Y74 V96	L73-T94 CarbonylContact C-O 3.56Å; L73-T94 WeakPolarHBondContact CA-O 3.16Å; Y74-T94 PolarHBondContact N-O 2.69Å; Y74-T94 PolarHBondContact O-N 2.68Å; T94-V96 HydrophobicContact CG2-CG2 4.4Å
95	M	97.8	Very high	89.1	Confident	92 Å²	92	94.3 Å²	94.3	45%	0.453	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	123.3	178.1	-175	66.1	-165.4	0	0	109.1	T71 L73	T71-M95 HydrophobicContact CG2-CE 3.44Å; T71-M95 VanDerWaalsContact CG2-CE 3.44Å; L73-M95 HydrophobicContact CD2-CB 3.89Å; L73-M95 HydrophobicContact CD2-SD 4.21Å; L73-M95 HydrophobicContact CG-SD 4.04Å
96	V	97.7	Very high	90.7	Very high	38 Å²	38	86.3 Å²	86.3	23%	0.23	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	118.2	170.7	-178.8	0	0	0	0	107.6	M63 T71 A72 Y74 T94 V98	M63-V96 HydrophobicContact CE-CG2 4.32Å; M63-V96 HydrophobicContact SD-CG1 4.26Å; T71-V96 WeakPolarHBondContact CA-O 3.32Å; A72-V96 PolarHBondContact N-O 3.2Å; A72-V96 VanDerWaalsContact N-O 3.08Å; A72-V96 PolarHBondContact O-N 2.94Å; Y74-V96 HydrophobicContact CD2-CB 3.77Å; Y74-V96 HydrophobicContact CD2-CG2 3.65Å; Y74-V96 HydrophobicContact CE2-CB 3.73Å; Y74-V96 HydrophobicContact CE2-CG1 4.46Å; Y74-V96 HydrophobicContact CE2-CG2 4.06Å; Y74-V96 HydrophobicContact CG-CG2 4.37Å; T94-V96 HydrophobicContact CG2-CG2 4.4Å; V96-V98 HydrophobicContact CG1-CG2 4.3Å
97	T	97.2	Very high	92.2	Very high	105 Å²	105	80.1 Å²	80.1	64%	0.644	50%	0.503	S	S	*	.			trans	-105.7	126.1	176.2	-54.9	0	0	0	0	109.1	T71	T71-T97 HydrophobicContact CG2-CG2 4.32Å
98	V	95	Very high	93.1	Very high	29 Å²	29	81.9 Å²	81.9	18%	0.176	52%	0.523	C	S	.	.			trans	-115	116.6	176.4	-174.7	0	0	0	0	107.7	V66 R67 S68 T71 V96	V66-V98 HydrophobicContact CB-CG2 4.27Å; V66-V98 HydrophobicContact CG2-CG1 4.33Å; V66-V98 HydrophobicContact CG2-CG2 4.16Å; R67-V98 WeakPolarHBondContact O-CB 3.29Å; R67-V98 WeakPolarHBondContact O-CG1 3.43Å; S68-V98 WeakPolarHBondContact CA-O 3.3Å; T71-V98 PolarHBondContact OG1-N 3.48Å; T71-V98 PolarHBondContact OG1-O 2.98Å; V96-V98 HydrophobicContact CG1-CG2 4.3Å
99	S	90.9	Very high	94.1	Very high	103 Å²	103	80.5 Å²	80.5	72%	0.72	52%	0.522	S	S	*	.			trans	-106.1	151.4	173.3	56.8	0	0	0	0	110.4
100	S	79.6	Confident	94.5	Very high	178 Å²	178	81.5 Å²	81.5	100%	1.245	53%	0.531	S	S	*	.			trans	-71.6	0	170.7	56	0	0	0	0	112.4

Retrieved 100 of 100 residues in 27.6 ms (Link to these results)

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