X5J5L4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5L4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 100 aa.

						>X5J5L4_MOUSE|X5J5L4
SCAASGFDFSRYWMSWVRQAPGKGLEWIREINPDSSTINYTPSLKDKFIISRDNAKNTLYLQMSKVRSEDTALYYCAMTYYRYDDAMDYWGQGTSVTVSS
					

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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	97.3	Very high	93.5	Very high	109 Å²	109	67.1 Å²	67.1	76%	0.762	43%	0.429	S	S	*	.				0	167.4	0	48.8	0	0	0	0	108.8	L59	S1-L59 CarbonylContact C-O 3.57Å; S1-L59 WeakPolarHBondContact CA-O 3.26Å
2	C	97.6	Very high	93.4	Very high	22 Å²	22	67.8 Å²	67.8	15%	0.149	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	116.7	175.1	166.9	0	0	0	0	109.2	W16 T58 L59 C76	C2-W16 HydrophobicContact CB-CH2 3.91Å; C2-W16 HydrophobicContact CB-CZ2 3.84Å; C2-T58 CarbonylContact O-C 3.41Å; C2-T58 WeakPolarHBondContact O-CA 3.5Å; C2-L59 HydrophobicContact CB-CB 4.47Å; C2-L59 PolarHBondContact N-O 3.28Å; C2-L59 PolarHBondContact O-N 3.1Å; C2-C76 HydrophobicContact CB-CB 3.31Å; C2-C76 WeakPolarHBondContact CB-SG 3.39Å; C2-C76 WeakPolarHBondContact SG-CB 3.4Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3Å
3	A	97.3	Very high	93.4	Very high	77 Å²	77	64.5 Å²	64.5	64%	0.636	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	127.5	174.5	0	0	0	0	0	109.2
4	A	94.8	Very high	93.5	Very high	18 Å²	18	60.1 Å²	60.1	15%	0.149	37%	0.366	C	S	.	.			trans	-92.4	145.4	177.9	0	0	0	0	0	111	F7 F9 N57	A4-F7 HydrophobicContact CB-CE1 3.95Å; A4-F7 HydrophobicContact CB-CE2 4.36Å; A4-F7 HydrophobicContact CB-CZ 3.64Å; A4-F9 HydrophobicContact CB-CB 4.24Å; A4-F9 HydrophobicContact CB-CD2 3.43Å; A4-F9 VanDerWaalsContact CB-CD2 3.43Å; A4-F9 HydrophobicContact CB-CE2 4.12Å; A4-F9 HydrophobicContact CB-CG 4.19Å; A4-N57 PolarHBondContact N-O 3.31Å
5	S	93.3	Very high	93.6	Very high	102 Å²	102	56.1 Å²	56.1	71%	0.713	34%	0.342	S	S	*	.			trans	-147.4	157.7	173.3	62.8	0	0	0	0	109.6	F7	S5-F7 WeakPolarHBondContact O-CD1 3.42Å
6	G	90	Very high	93.9	Very high	74 Å²	74	53.3 Å²	53.3	76%	0.763	32%	0.323	S	S	*	.	S	Bend	trans	88	-4.2	178.8	0	0	0	0	0	115.7
7	F	88.8	Confident	94	Very high	39 Å²	39	50.2 Å²	50.2	17%	0.171	30%	0.304	C	S	.	.	S	Bend	trans	-151.3	164.8	175.4	63.7	-85.3	0	0	0	111.7	A4 S5 F9 Y12 M14 M78 Y89	A4-F7 HydrophobicContact CB-CE1 3.95Å; A4-F7 HydrophobicContact CB-CE2 4.36Å; A4-F7 HydrophobicContact CB-CZ 3.64Å; S5-F7 WeakPolarHBondContact O-CD1 3.42Å; F7-F9 HydrophobicContact CE2-CB 4.33Å; F7-F9 HydrophobicContact CE2-CD2 4.39Å; F7-F9 PolarHBondContact O-N 2.96Å; F7-Y12 AromaticContact CD2-CD2 3.78Å; F7-Y12 HydrophobicContact CD2-CD2 3.78Å; F7-Y12 HydrophobicContact CD2-CE2 4.27Å; F7-Y12 HydrophobicContact CE2-CD2 4.36Å; F7-M14 HydrophobicContact CE2-SD 3.91Å; F7-M14 HydrophobicContact CZ-CE 4.16Å; F7-M14 HydrophobicContact CZ-SD 4.02Å; F7-M78 HydrophobicContact CD2-SD 4.19Å; F7-M78 HydrophobicContact CE2-CB 4.45Å; F7-M78 HydrophobicContact CE2-CG 4.19Å; F7-M78 HydrophobicContact CE2-SD 4.23Å; F7-M78 HydrophobicContact CZ-CB 4.25Å; F7-M78 HydrophobicContact CZ-CG 4.48Å; F7-Y89 HydrophobicContact CD1-CD1 4.29Å; F7-Y89 HydrophobicContact CD1-CD2 4.02Å; F7-Y89 HydrophobicContact CD1-CE2 4.32Å; F7-Y89 HydrophobicContact CD1-CG 4.02Å; F7-Y89 HydrophobicContact CE1-CD2 4.34Å; F7-Y89 HydrophobicContact CE1-CG 4.06Å
8	D	91.4	Very high	94.2	Very high	66 Å²	66	48.6 Å²	48.6	35%	0.353	29%	0.292	S	S	.	.			trans	-76.6	85.5	175.4	-175.3	-6.5	0	0	0	110.4	S10 R11 Y12	D8-S10 PolarHBondContact O-N 2.96Å; D8-S10 WeakPolarHBondContact OD1-CB 3.46Å; D8-S10 PolarHBondContact OD1-N 2.98Å; D8-S10 PolarHBondContact OD1-OG 3.11Å; D8-R11 HydrophobicContact CB-CG 4.34Å; D8-R11 PolarHBondContact O-N 3.23Å; D8-R11 WeakPolarHBondContact OD2-CD 3.31Å; D8-R11 WeakPolarHBondContact OD2-CG 3.37Å; D8-R11 IonicContact OD2-CZ 4Å; D8-R11 IonicContact OD2-NE 3.2Å; D8-R11 PolarHBondContact OD2-NE 3.3Å; D8-R11 IonicContact OD2-NH2 2.82Å; D8-Y12 WeakPolarHBondContact O-CD2 3.27Å
9	F	93.3	Very high	94.3	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-46.4	-36.4	179.9	177.9	-96.7	0	0	0	113.2	A4 F7 R11 Y12 M14 R52 N54 N57 L59	A4-F9 HydrophobicContact CB-CB 4.24Å; A4-F9 HydrophobicContact CB-CD2 3.43Å; A4-F9 VanDerWaalsContact CB-CD2 3.43Å; A4-F9 HydrophobicContact CB-CE2 4.12Å; A4-F9 HydrophobicContact CB-CG 4.19Å; F7-F9 HydrophobicContact CE2-CB 4.33Å; F7-F9 HydrophobicContact CE2-CD2 4.39Å; F7-F9 PolarHBondContact O-N 2.96Å; F9-R11 PolarHBondContact O-N 2.94Å; F9-Y12 PolarHBondContact O-N 3.06Å; F9-M14 HydrophobicContact CD2-CE 4.17Å; F9-M14 HydrophobicContact CD2-CG 3.86Å; F9-M14 HydrophobicContact CD2-SD 3.83Å; F9-M14 HydrophobicContact CE2-CB 4.29Å; F9-M14 HydrophobicContact CE2-CE 3.91Å; F9-M14 HydrophobicContact CE2-CG 3.45Å; F9-M14 VanDerWaalsContact CE2-CG 3.45Å; F9-M14 HydrophobicContact CE2-SD 3.88Å; F9-M14 HydrophobicContact CZ-CG 3.97Å; F9-R52 VanDerWaalsContact CD1-NH2 3.3Å; F9-R52 HydrophobicContact CE1-CB 4.2Å; F9-R52 VanDerWaalsContact CE1-NH2 3.26Å; F9-R52 HydrophobicContact CZ-CB 4.11Å; F9-R52 PolarHBondContact O-NH2 3.21Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.35Å; F9-N57 HydrophobicContact CB-CB 3.93Å; F9-N57 HydrophobicContact CD1-CB 4.36Å; F9-N57 HydrophobicContact CG-CB 4.13Å; F9-L59 HydrophobicContact CE2-CB 4.28Å; F9-L59 HydrophobicContact CZ-CB 4.24Å
10	S	93.4	Very high	94.4	Very high	46 Å²	46	48.1 Å²	48.1	32%	0.322	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-67.2	-15.4	-176	77.2	0	0	0	0	114.2	D8 P33	D8-S10 PolarHBondContact O-N 2.96Å; D8-S10 WeakPolarHBondContact OD1-CB 3.46Å; D8-S10 PolarHBondContact OD1-N 2.98Å; D8-S10 PolarHBondContact OD1-OG 3.11Å; S10-P33 VanDerWaalsContact O-CB 3.29Å; S10-P33 WeakPolarHBondContact O-CB 3.34Å
11	R	91.8	Very high	94.5	Very high	184 Å²	184	50.8 Å²	50.8	69%	0.694	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-98.3	-13.2	-178.3	-66.3	-174.8	-171.5	-159.2	-4.8	114.7	D8 F9 P33	D8-R11 HydrophobicContact CB-CG 4.34Å; D8-R11 PolarHBondContact O-N 3.23Å; D8-R11 WeakPolarHBondContact OD2-CD 3.31Å; D8-R11 WeakPolarHBondContact OD2-CG 3.37Å; D8-R11 IonicContact OD2-CZ 4Å; D8-R11 IonicContact OD2-NE 3.2Å; D8-R11 PolarHBondContact OD2-NE 3.3Å; D8-R11 IonicContact OD2-NH2 2.82Å; F9-R11 PolarHBondContact O-N 2.94Å; R11-P33 WeakPolarHBondContact O-CG 3.45Å
12	Y	91.6	Very high	94.4	Very high	75 Å²	75	50.1 Å²	50.1	29%	0.294	32%	0.315	S	S	.	.	S	Bend	trans	-111.8	154.3	-171.9	-61.5	-82.6	0	0	0	112.7	F7 D8 F9 R52 M78 Y80	F7-Y12 AromaticContact CD2-CD2 3.78Å; F7-Y12 HydrophobicContact CD2-CD2 3.78Å; F7-Y12 HydrophobicContact CD2-CE2 4.27Å; F7-Y12 HydrophobicContact CE2-CD2 4.36Å; D8-Y12 WeakPolarHBondContact O-CD2 3.27Å; F9-Y12 PolarHBondContact O-N 3.06Å; Y12-R52 PolarHBondContact O-NH1 2.91Å; Y12-M78 HydrophobicContact CD1-CG 4.35Å; Y12-M78 HydrophobicContact CD1-SD 3.89Å; Y12-M78 HydrophobicContact CD2-SD 4.24Å; Y12-M78 HydrophobicContact CE1-SD 4.34Å; Y12-M78 HydrophobicContact CG-CG 4.06Å; Y12-M78 HydrophobicContact CG-SD 3.83Å; Y12-Y80 HydrophobicContact CD1-CD2 4.19Å; Y12-Y80 HydrophobicContact CE1-CD2 4.1Å; Y12-Y80 HydrophobicContact CE1-CE2 4.21Å
13	W	93.6	Very high	94.3	Very high	25 Å²	25	55.9 Å²	55.9	10%	0.095	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	145.8	165.9	-73.4	57.7	0	0	0	109	E30 I31 N32 T37 T79 Y81	W13-E30 HydrophobicContact CE3-CB 4.19Å; W13-E30 HydrophobicContact CE3-CG 4Å; W13-E30 HydrophobicContact CZ3-CG 3.96Å; W13-I31 WeakPolarHBondContact CA-O 3.45Å; W13-N32 HydrophobicContact CD2-CB 3.69Å; W13-N32 HydrophobicContact CE3-CB 4.15Å; W13-N32 HydrophobicContact CG-CB 4.29Å; W13-N32 HydrophobicContact CH2-CB 3.79Å; W13-N32 HydrophobicContact CZ2-CB 3.25Å; W13-N32 HydrophobicContact CZ3-CB 4.2Å; W13-T37 HydrophobicContact CH2-CG2 3.7Å; W13-T37 HydrophobicContact CZ2-CG2 4.49Å; W13-T37 HydrophobicContact CZ3-CG2 4.49Å; W13-T79 WeakPolarHBondContact CB-O 3.32Å; W13-T79 PolarHBondContact N-O 3.2Å; W13-T79 PolarHBondContact O-N 3.19Å; W13-Y81 HydrophobicContact CD2-CD2 4.31Å; W13-Y81 AromaticContact CE2-CD2 3.44Å; W13-Y81 VanDerWaalsContact CE2-CD2 3.44Å; W13-Y81 AromaticContact CE2-CE2 3.76Å; W13-Y81 HydrophobicContact CH2-CD2 4.37Å; W13-Y81 AromaticContact CH2-CE2 3.98Å; W13-Y81 HydrophobicContact CH2-CE2 3.98Å; W13-Y81 AromaticContact CZ2-CD2 3.5Å; W13-Y81 HydrophobicContact CZ2-CD2 3.5Å; W13-Y81 VanDerWaalsContact CZ2-CD2 3.5Å; W13-Y81 AromaticContact CZ2-CE2 3.26Å; W13-Y81 HydrophobicContact CZ2-CE2 3.26Å; W13-Y81 AromaticContact NE1-CD2 3.39Å
14	M	95.1	Very high	94.2	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.02	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.9	-175.2	-63.8	-59.2	-47.5	0	0	108.7	F7 F9 E30 I31 L59 M78	F7-M14 HydrophobicContact CE2-SD 3.91Å; F7-M14 HydrophobicContact CZ-CE 4.16Å; F7-M14 HydrophobicContact CZ-SD 4.02Å; F9-M14 HydrophobicContact CD2-CE 4.17Å; F9-M14 HydrophobicContact CD2-CG 3.86Å; F9-M14 HydrophobicContact CD2-SD 3.83Å; F9-M14 HydrophobicContact CE2-CB 4.29Å; F9-M14 HydrophobicContact CE2-CE 3.91Å; F9-M14 HydrophobicContact CE2-CG 3.45Å; F9-M14 VanDerWaalsContact CE2-CG 3.45Å; F9-M14 HydrophobicContact CE2-SD 3.88Å; F9-M14 HydrophobicContact CZ-CG 3.97Å; M14-E30 WeakPolarHBondContact O-CA 3.33Å; M14-I31 HydrophobicContact CB-CG2 4.37Å; M14-I31 PolarHBondContact N-O 3.15Å; M14-I31 WeakPolarHBondContact O-CG2 3.45Å; M14-I31 PolarHBondContact O-N 2.85Å; M14-L59 HydrophobicContact CB-CD1 3.66Å; M14-L59 HydrophobicContact CB-CD2 3.95Å; M14-L59 HydrophobicContact CB-CG 4.31Å; M14-M78 HydrophobicContact CE-CB 4.39Å; M14-M78 HydrophobicContact SD-CB 4.11Å; M14-M78 HydrophobicContact SD-CG 4.25Å
15	S	95.6	Very high	94.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.4	-162.2	-44.7	0	0	0	0	111.3	R29 E30 C76 A77 T79	S15-R29 CarbonylContact C-O 3.58Å; S15-R29 VanDerWaalsContact CA-O 3.3Å; S15-R29 WeakPolarHBondContact CA-O 3.35Å; S15-E30 WeakPolarHBondContact OG-CB 3.5Å; S15-C76 CarbonylContact O-C 3.41Å; S15-C76 WeakPolarHBondContact O-CA 3.42Å; S15-A77 PolarHBondContact N-O 2.62Å; S15-A77 PolarHBondContact O-N 2.74Å; S15-T79 PolarHBondContact OG-OG1 2.74Å
16	W	97.2	Very high	94.2	Very high	11 Å²	11	56.8 Å²	56.8	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.5	174.6	-79.2	97.4	0	0	0	110.5	C2 W27 I28 R29 L59 Y60 L61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.91Å; C2-W16 HydrophobicContact CB-CZ2 3.84Å; W16-W27 VanDerWaalsContact O-CE3 3.27Å; W16-I28 HydrophobicContact CB-CB 4.25Å; W16-I28 HydrophobicContact CB-CD1 4.21Å; W16-I28 WeakPolarHBondContact O-CA 3.31Å; W16-I28 VanDerWaalsContact O-CB 3.3Å; W16-I28 WeakPolarHBondContact O-CB 3.31Å; W16-I28 PolarHBondContact O-N 2.86Å; W16-R29 PolarHBondContact N-O 2.79Å; W16-R29 PolarHBondContact O-N 2.96Å; W16-L59 HydrophobicContact CG-CD2 4.28Å; W16-L59 VanDerWaalsContact NE1-CD2 3.27Å; W16-Y60 PolarHBondContact NE1-O 3.08Å; W16-L61 HydrophobicContact CB-CD1 4.12Å; W16-L61 HydrophobicContact CB-CD2 4.21Å; W16-L61 HydrophobicContact CD2-CB 3.85Å; W16-L61 HydrophobicContact CD2-CD2 4.02Å; W16-L61 HydrophobicContact CD2-CG 4.4Å; W16-L61 HydrophobicContact CE3-CD2 4.24Å; W16-L61 HydrophobicContact CG-CB 3.97Å; W16-L61 HydrophobicContact CG-CD1 3.92Å; W16-L61 HydrophobicContact CG-CD2 4Å; W16-L61 HydrophobicContact CG-CG 4.2Å; W16-L61 HydrophobicContact CZ2-CB 4.18Å; W16-Y75 CarbonylContact C-O 3.58Å; W16-Y75 WeakPolarHBondContact CA-O 3.33Å; W16-Y75 VanDerWaalsContact CE3-C 3.46Å; W16-C76 HydrophobicContact CD2-CB 4.46Å; W16-C76 HydrophobicContact CE3-CB 4.39Å; W16-C76 HydrophobicContact CH2-CB 4.13Å; W16-C76 HydrophobicContact CZ2-CB 4.21Å; W16-C76 HydrophobicContact CZ3-CB 4.23Å
17	V	96.4	Very high	94.4	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149.5	175.7	-171.3	0	0	0	0	107.9	L25 E26 W27 Y74 Y75 W90	V17-L25 HydrophobicContact CG1-CB 3.81Å; V17-L25 HydrophobicContact CG1-CD2 3.73Å; V17-L25 HydrophobicContact CG1-CG 4.3Å; V17-E26 CarbonylContact C-O 3.56Å; V17-E26 WeakPolarHBondContact CA-O 3.22Å; V17-E26 WeakPolarHBondContact CG1-O 3.45Å; V17-W27 HydrophobicContact CB-CE3 4.4Å; V17-W27 HydrophobicContact CB-CZ3 4.31Å; V17-W27 HydrophobicContact CG2-CD2 3.79Å; V17-W27 HydrophobicContact CG2-CE3 3.38Å; V17-W27 HydrophobicContact CG2-CH2 3.38Å; V17-W27 HydrophobicContact CG2-CZ2 3.86Å; V17-W27 HydrophobicContact CG2-CZ3 3.04Å; V17-Y74 CarbonylContact O-C 3.57Å; V17-Y74 WeakPolarHBondContact O-CA 3.42Å; V17-Y75 PolarHBondContact N-O 3.34Å; V17-Y75 PolarHBondContact O-N 3.41Å; V17-W90 HydrophobicContact CB-CH2 4.16Å; V17-W90 HydrophobicContact CB-CZ3 3.85Å; V17-W90 HydrophobicContact CG1-CH2 4.1Å; V17-W90 HydrophobicContact CG1-CZ3 4.07Å; V17-W90 HydrophobicContact CG2-CH2 3.66Å; V17-W90 HydrophobicContact CG2-CZ3 3.68Å
18	R	96.7	Very high	94.7	Very high	20 Å²	20	55.8 Å²	55.8	8%	0.075	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157.6	165.7	65.9	177.9	-170.1	176.7	4.2	112.9	E26 I28 D70 A72 L73 Y74	R18-E26 HydrophobicContact CG-CB 4.21Å; R18-E26 IonicContact CZ-OE2 3.79Å; R18-E26 PolarHBondContact N-O 2.81Å; R18-E26 IonicContact NE-OE2 2.78Å; R18-E26 PolarHBondContact NE-OE2 2.8Å; R18-E26 IonicContact NH2-OE1 2.74Å; R18-E26 IonicContact NH2-OE2 3.92Å; R18-E26 PolarHBondContact NH2-OE2 2.78Å; R18-E26 PolarHBondContact O-N 2.78Å; R18-I28 HydrophobicContact CB-CD1 3.82Å; R18-I28 HydrophobicContact CB-CG1 4.36Å; R18-I28 HydrophobicContact CG-CD1 3.96Å; R18-I28 HydrophobicContact CG-CG1 3.97Å; R18-D70 IonicContact CZ-OD1 2.79Å; R18-D70 IonicContact NH1-OD1 2.77Å; R18-D70 PolarHBondContact NH1-OD1 2.88Å; R18-D70 IonicContact NH2-OD1 3.79Å; R18-A72 HydrophobicContact CB-CB 3.94Å; R18-A72 HydrophobicContact CG-CB 4.46Å; R18-L73 CarbonylContact C-O 3.58Å; R18-L73 WeakPolarHBondContact CA-O 3.46Å; R18-L73 WeakPolarHBondContact CB-O 3.37Å; R18-Y74 HydrophobicContact CB-CD1 4.06Å; R18-Y74 HydrophobicContact CB-CE1 4.04Å; R18-Y74 HydrophobicContact CB-CG 4.33Å
19	Q	97.4	Very high	94.9	Very high	71 Å²	71	54 Å²	54	33%	0.332	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	105.9	171	-168.4	177.6	24.3	0	0	109.3	K23 L25 A72 L73 Y75	Q19-K23 VanDerWaalsContact CG-O 3.31Å; Q19-K23 WeakPolarHBondContact CG-O 3.45Å; Q19-K23 PolarHBondContact NE2-O 2.89Å; Q19-L25 HydrophobicContact CB-CD2 4.07Å; Q19-A72 WeakPolarHBondContact O-CA 3.38Å; Q19-A72 VanDerWaalsContact O-CB 3.31Å; Q19-A72 WeakPolarHBondContact O-CB 3.1Å; Q19-L73 PolarHBondContact N-O 3.14Å; Q19-L73 PolarHBondContact O-N 3.15Å; Q19-Y75 HydrophobicContact CB-CE2 4.01Å
20	A	96.5	Very high	95	Very high	16 Å²	16	56.1 Å²	56.1	13%	0.132	30%	0.302	C	S	.	.			trans	-73.6	153.5	172.9	0	0	0	0	0	110.4	G22 K23 A72	A20-G22 PolarHBondContact O-N 2.84Å; A20-K23 HydrophobicContact CB-CB 4.19Å; A20-K23 HydrophobicContact CB-CD 4.08Å; A20-K23 HydrophobicContact CB-CG 4.2Å; A20-K23 PolarHBondContact O-N 3.39Å; A20-A72 HydrophobicContact CB-CB 4.36Å
21	P	95.7	Very high	95.1	Very high	106 Å²	106	54.1 Å²	54.1	69%	0.688	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	126.6	177	-26.6	34.7	0	0	0	112	K23 T71	P21-K23 PolarHBondContact O-N 3.35Å; P21-T71 VanDerWaalsContact CD-O 3.31Å; P21-T71 WeakPolarHBondContact CD-O 3.27Å
22	G	95.6	Very high	95.2	Very high	94 Å²	94	46 Å²	46	97%	0.969	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	8.7	-179.2	0	0	0	0	0	115.5	A20	A20-G22 PolarHBondContact O-N 2.84Å
23	K	95.4	Very high	95.4	Very high	144 Å²	144	44 Å²	44	63%	0.626	25%	0.254	S	S	*	.			trans	-114.3	162.2	176.5	-60.1	-163.3	-178.4	178.2	0	112.2	Q19 A20 P21	Q19-K23 VanDerWaalsContact CG-O 3.31Å; Q19-K23 WeakPolarHBondContact CG-O 3.45Å; Q19-K23 PolarHBondContact NE2-O 2.89Å; A20-K23 HydrophobicContact CB-CB 4.19Å; A20-K23 HydrophobicContact CB-CD 4.08Å; A20-K23 HydrophobicContact CB-CG 4.2Å; A20-K23 PolarHBondContact O-N 3.39Å; P21-K23 PolarHBondContact O-N 3.35Å
24	G	94.4	Very high	95.5	Very high	54 Å²	54	48 Å²	48	56%	0.557	28%	0.277	S	S	*	.			trans	-72	179.2	169	0	0	0	0	0	112.6
25	L	94.3	Very high	95.6	Very high	101 Å²	101	50.3 Å²	50.3	53%	0.529	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.2	172.9	-67.4	167.7	0	0	0	110.3	V17 Q19 Y75 W90	V17-L25 HydrophobicContact CG1-CB 3.81Å; V17-L25 HydrophobicContact CG1-CD2 3.73Å; V17-L25 HydrophobicContact CG1-CG 4.3Å; Q19-L25 HydrophobicContact CB-CD2 4.07Å; L25-Y75 HydrophobicContact CD2-CD2 4.36Å; L25-Y75 HydrophobicContact CD2-CE2 4.29Å; L25-W90 HydrophobicContact CD1-CH2 3.87Å; L25-W90 HydrophobicContact CD1-CZ3 4.42Å; L25-W90 HydrophobicContact CD2-CH2 4.46Å; L25-W90 HydrophobicContact CD2-CZ3 4.32Å
26	E	94.6	Very high	95.6	Very high	60 Å²	60	54.4 Å²	54.4	28%	0.28	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.7	176.5	-176.4	-176.1	-162.2	0	0	109	V17 R18 I28 L44	V17-E26 CarbonylContact C-O 3.56Å; V17-E26 WeakPolarHBondContact CA-O 3.22Å; V17-E26 WeakPolarHBondContact CG1-O 3.45Å; R18-E26 HydrophobicContact CG-CB 4.21Å; R18-E26 IonicContact CZ-OE2 3.79Å; R18-E26 PolarHBondContact N-O 2.81Å; R18-E26 IonicContact NE-OE2 2.78Å; R18-E26 PolarHBondContact NE-OE2 2.8Å; R18-E26 IonicContact NH2-OE1 2.74Å; R18-E26 IonicContact NH2-OE2 3.92Å; R18-E26 PolarHBondContact NH2-OE2 2.78Å; R18-E26 PolarHBondContact O-N 2.78Å; E26-I28 PolarHBondContact O-N 2.84Å; E26-L44 HydrophobicContact CG-CD1 4.38Å
27	W	93.7	Very high	95.6	Very high	91 Å²	91	56.6 Å²	56.6	35%	0.345	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	133.8	171.8	-86.5	113.9	0	0	0	110.7	W16 V17 T41 A77 M87	W16-W27 VanDerWaalsContact O-CE3 3.27Å; V17-W27 HydrophobicContact CB-CE3 4.4Å; V17-W27 HydrophobicContact CB-CZ3 4.31Å; V17-W27 HydrophobicContact CG2-CD2 3.79Å; V17-W27 HydrophobicContact CG2-CE3 3.38Å; V17-W27 HydrophobicContact CG2-CH2 3.38Å; V17-W27 HydrophobicContact CG2-CZ2 3.86Å; V17-W27 HydrophobicContact CG2-CZ3 3.04Å; W27-T41 VanDerWaalsContact O-CB 3.31Å; W27-T41 WeakPolarHBondContact O-CB 3.26Å; W27-T41 PolarHBondContact O-OG1 2.75Å; W27-A77 HydrophobicContact CH2-CB 4.47Å; W27-M87 HydrophobicContact CH2-CE 3.24Å; W27-M87 HydrophobicContact CH2-SD 4.06Å; W27-M87 HydrophobicContact CZ2-CE 3.27Å; W27-M87 HydrophobicContact CZ2-SD 3.47Å; W27-M87 WeakPolarHBondContact CZ2-SD 3.25Å
28	I	95.7	Very high	95.5	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-63.6	175	-63.8	161.8	0	0	0	109.2	W16 R18 E26 Y40 T41 L44 F48 L61 Y74	W16-I28 HydrophobicContact CB-CB 4.25Å; W16-I28 HydrophobicContact CB-CD1 4.21Å; W16-I28 WeakPolarHBondContact O-CA 3.31Å; W16-I28 VanDerWaalsContact O-CB 3.3Å; W16-I28 WeakPolarHBondContact O-CB 3.31Å; W16-I28 PolarHBondContact O-N 2.86Å; R18-I28 HydrophobicContact CB-CD1 3.82Å; R18-I28 HydrophobicContact CB-CG1 4.36Å; R18-I28 HydrophobicContact CG-CD1 3.96Å; R18-I28 HydrophobicContact CG-CG1 3.97Å; E26-I28 PolarHBondContact O-N 2.84Å; I28-Y40 WeakPolarHBondContact O-CA 3.44Å; I28-T41 PolarHBondContact O-N 2.82Å; I28-L44 HydrophobicContact CB-CD1 4.45Å; I28-L44 HydrophobicContact CG1-CD1 4Å; I28-F48 HydrophobicContact CG2-CB 3.77Å; I28-F48 HydrophobicContact CG2-CD2 3.42Å; I28-F48 VanDerWaalsContact CG2-CD2 3.42Å; I28-F48 HydrophobicContact CG2-CE2 4.29Å; I28-F48 HydrophobicContact CG2-CG 3.79Å; I28-L61 HydrophobicContact CD1-CD2 4.09Å; I28-L61 HydrophobicContact CG2-CD1 4.18Å; I28-Y74 HydrophobicContact CD1-CD1 3.55Å; I28-Y74 HydrophobicContact CD1-CE1 3.44Å; I28-Y74 VanDerWaalsContact CD1-CE1 3.44Å
29	R	95.1	Very high	95.4	Very high	29 Å²	29	62.1 Å²	62.1	11%	0.109	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	154	-175.1	-69.5	-170.6	171.6	-103.3	8.5	110.7	S15 W16 N39 K45 F48 I50	S15-R29 CarbonylContact C-O 3.58Å; S15-R29 VanDerWaalsContact CA-O 3.3Å; S15-R29 WeakPolarHBondContact CA-O 3.35Å; W16-R29 PolarHBondContact N-O 2.79Å; W16-R29 PolarHBondContact O-N 2.96Å; R29-N39 VanDerWaalsContact CA-O 3.27Å; R29-N39 WeakPolarHBondContact CA-O 3.42Å; R29-K45 PolarHBondContact NH2-O 2.95Å; R29-F48 PolarHBondContact NE-O 2.79Å; R29-F48 PolarHBondContact NH2-O 3.41Å; R29-I50 HydrophobicContact CB-CB 3.94Å; R29-I50 HydrophobicContact CB-CD1 4.05Å; R29-I50 HydrophobicContact CB-CG2 3.87Å; R29-I50 HydrophobicContact CG-CG2 4.48Å
30	E	94.4	Very high	95.2	Very high	46 Å²	46	63.5 Å²	63.5	22%	0.215	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149	171.1	57.7	178.3	-163.6	0	0	110.2	W13 M14 S15 I38 N39	W13-E30 HydrophobicContact CE3-CB 4.19Å; W13-E30 HydrophobicContact CE3-CG 4Å; W13-E30 HydrophobicContact CZ3-CG 3.96Å; M14-E30 WeakPolarHBondContact O-CA 3.33Å; S15-E30 WeakPolarHBondContact OG-CB 3.5Å; E30-I38 VanDerWaalsContact O-CA 3.29Å; E30-I38 WeakPolarHBondContact O-CA 3.32Å; E30-N39 HydrophobicContact CG-CB 3.61Å; E30-N39 PolarHBondContact N-O 2.79Å; E30-N39 PolarHBondContact O-N 3.5Å; E30-N39 VanDerWaalsContact O-N 3.1Å; E30-N39 WeakPolarHBondContact OE1-CB 3.31Å; E30-N39 PolarHBondContact OE1-ND2 2.76Å
31	I	96	Very high	95.1	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.5	-177.5	-172.1	164.5	0	0	0	110	W13 M14 I38 I50 R52 L59	W13-I31 WeakPolarHBondContact CA-O 3.45Å; M14-I31 HydrophobicContact CB-CG2 4.37Å; M14-I31 PolarHBondContact N-O 3.15Å; M14-I31 WeakPolarHBondContact O-CG2 3.45Å; M14-I31 PolarHBondContact O-N 2.85Å; I31-I38 HydrophobicContact CB-CG1 4.25Å; I31-I38 HydrophobicContact CD1-CD1 4.01Å; I31-I38 HydrophobicContact CD1-CG1 4.01Å; I31-I38 HydrophobicContact CG1-CD1 4.44Å; I31-I38 HydrophobicContact CG1-CG1 3.87Å; I31-I50 HydrophobicContact CB-CD1 4.06Å; I31-I50 HydrophobicContact CB-CG1 4.27Å; I31-I50 HydrophobicContact CB-CG2 4.1Å; I31-I50 HydrophobicContact CD1-CG2 4.43Å; I31-I50 HydrophobicContact CG2-CD1 3.67Å; I31-I50 HydrophobicContact CG2-CG1 3.89Å; I31-R52 HydrophobicContact CD1-CG 4.04Å; I31-L59 HydrophobicContact CG2-CD1 3.6Å
32	N	94.9	Very high	95	Very high	14 Å²	14	64.7 Å²	64.7	8%	0.075	38%	0.376	C	S	.	.			trans	-76.9	167.1	179.9	78.2	-29.1	0	0	0	112.2	W13 D34 S35 S36 T37 R52	W13-N32 HydrophobicContact CD2-CB 3.69Å; W13-N32 HydrophobicContact CE3-CB 4.15Å; W13-N32 HydrophobicContact CG-CB 4.29Å; W13-N32 HydrophobicContact CH2-CB 3.79Å; W13-N32 HydrophobicContact CZ2-CB 3.25Å; W13-N32 HydrophobicContact CZ3-CB 4.2Å; N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 PolarHBondContact ND2-OD1 3Å; N32-D34 PolarHBondContact O-N 2.58Å; N32-D34 PolarHBondContact OD1-OD1 2.98Å; N32-D34 VanDerWaalsContact OD1-OD1 3.14Å; N32-S35 PolarHBondContact O-N 2.77Å; N32-S35 VanDerWaalsContact O-N 3.15Å; N32-S35 VanDerWaalsContact OD1-C 3.24Å; N32-S35 WeakPolarHBondContact OD1-CA 3.47Å; N32-S35 PolarHBondContact OD1-N 2.83Å; N32-S36 PolarHBondContact ND2-OG 2.83Å; N32-S36 PolarHBondContact OD1-N 3.47Å; N32-T37 PolarHBondContact N-O 3.33Å; N32-T37 VanDerWaalsContact N-O 3.14Å; N32-T37 PolarHBondContact ND2-N 2.01Å; N32-T37 PolarHBondContact OD1-N 3.37Å; N32-T37 PolarHBondContact OD1-O 3.16Å; N32-R52 WeakPolarHBondContact O-CD 3.34Å; N32-R52 PolarHBondContact O-NH1 2.85Å
33	P	95.4	Very high	94.8	Very high	34 Å²	34	64.1 Å²	64.1	22%	0.221	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.9	-47.4	179.3	-41.5	44.3	0	0	0	117	S10 R11 R52 N54	S10-P33 VanDerWaalsContact O-CB 3.29Å; S10-P33 WeakPolarHBondContact O-CB 3.34Å; R11-P33 WeakPolarHBondContact O-CG 3.45Å; P33-R52 VanDerWaalsContact CA-NH1 3.29Å; P33-R52 PolarHBondContact O-NE 2.83Å; P33-N54 PolarHBondContact O-ND2 3.02Å
34	D	95.4	Very high	94.7	Very high	108 Å²	108	57.4 Å²	57.4	58%	0.578	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	4.4	-174.8	67.2	6.1	0	0	0	113.4	N32 S36	N32-D34 VanDerWaalsContact C-N 3.33Å; N32-D34 PolarHBondContact ND2-OD1 3Å; N32-D34 PolarHBondContact O-N 2.58Å; N32-D34 PolarHBondContact OD1-OD1 2.98Å; N32-D34 VanDerWaalsContact OD1-OD1 3.14Å; D34-S36 VanDerWaalsContact CG-OG 3.31Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.43Å; D34-S36 PolarHBondContact OD1-N 2.9Å; D34-S36 PolarHBondContact OD1-OG 2.9Å; D34-S36 PolarHBondContact OD2-OG 2.84Å
35	S	96.6	Very high	94.5	Very high	53 Å²	53	59 Å²	59	37%	0.371	32%	0.32	S	S	.	.	S	Bend	trans	62.1	11.2	-177.6	-48.1	0	0	0	0	115.6	N32 T37 R52	N32-S35 PolarHBondContact O-N 2.77Å; N32-S35 VanDerWaalsContact O-N 3.15Å; N32-S35 VanDerWaalsContact OD1-C 3.24Å; N32-S35 WeakPolarHBondContact OD1-CA 3.47Å; N32-S35 PolarHBondContact OD1-N 2.83Å; S35-T37 VanDerWaalsContact C-N 3.31Å; S35-R52 WeakPolarHBondContact OG-CD 3.49Å; S35-R52 VanDerWaalsContact OG-CG 3.28Å; S35-R52 WeakPolarHBondContact OG-CG 3.28Å
36	S	96.6	Very high	94.4	Very high	86 Å²	86	60 Å²	60	60%	0.601	33%	0.325	S	S	*	.	S	Bend	trans	-73.4	-23.5	177.6	64.4	0	0	0	0	113.3	N32 D34	N32-S36 PolarHBondContact ND2-OG 2.83Å; N32-S36 PolarHBondContact OD1-N 3.47Å; D34-S36 VanDerWaalsContact CG-OG 3.31Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.43Å; D34-S36 PolarHBondContact OD1-N 2.9Å; D34-S36 PolarHBondContact OD1-OG 2.9Å; D34-S36 PolarHBondContact OD2-OG 2.84Å
37	T	96	Very high	94.5	Very high	57 Å²	57	58.7 Å²	58.7	35%	0.35	32%	0.319	S	S	.	.			trans	-125.9	129	-178.5	-52.9	0	0	0	0	110.8	W13 N32 S35	W13-T37 HydrophobicContact CH2-CG2 3.7Å; W13-T37 HydrophobicContact CZ2-CG2 4.49Å; W13-T37 HydrophobicContact CZ3-CG2 4.49Å; N32-T37 PolarHBondContact N-O 3.33Å; N32-T37 VanDerWaalsContact N-O 3.14Å; N32-T37 PolarHBondContact ND2-N 2.01Å; N32-T37 PolarHBondContact OD1-N 3.37Å; N32-T37 PolarHBondContact OD1-O 3.16Å; S35-T37 VanDerWaalsContact C-N 3.31Å
38	I	95.7	Very high	94.6	Very high	61 Å²	61	54.3 Å²	54.3	31%	0.313	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.7	175.2	-64.2	171.9	0	0	0	108.9	E30 I31 I50	E30-I38 VanDerWaalsContact O-CA 3.29Å; E30-I38 WeakPolarHBondContact O-CA 3.32Å; I31-I38 HydrophobicContact CB-CG1 4.25Å; I31-I38 HydrophobicContact CD1-CD1 4.01Å; I31-I38 HydrophobicContact CD1-CG1 4.01Å; I31-I38 HydrophobicContact CG1-CD1 4.44Å; I31-I38 HydrophobicContact CG1-CG1 3.87Å; I38-I50 HydrophobicContact CD1-CG2 4.07Å; I38-I50 HydrophobicContact CG1-CG2 4.2Å; I38-I50 HydrophobicContact CG2-CG2 3.59Å
39	N	94.1	Very high	94.6	Very high	76 Å²	76	58.4 Å²	58.4	41%	0.406	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	153.4	168.8	-58.4	-39.4	0	0	0	109.9	R29 E30	R29-N39 VanDerWaalsContact CA-O 3.27Å; R29-N39 WeakPolarHBondContact CA-O 3.42Å; E30-N39 HydrophobicContact CG-CB 3.61Å; E30-N39 PolarHBondContact N-O 2.79Å; E30-N39 PolarHBondContact O-N 3.5Å; E30-N39 VanDerWaalsContact O-N 3.1Å; E30-N39 WeakPolarHBondContact OE1-CB 3.31Å; E30-N39 PolarHBondContact OE1-ND2 2.76Å
40	Y	94.2	Very high	94.8	Very high	100 Å²	100	57.3 Å²	57.3	39%	0.392	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	149	-173.5	54.2	-94.4	0	0	0	111.7	I28 P42 K45	I28-Y40 WeakPolarHBondContact O-CA 3.44Å; Y40-P42 WeakPolarHBondContact O-CD 2.99Å; Y40-K45 HydrophobicContact CD2-CB 3.74Å; Y40-K45 HydrophobicContact CD2-CD 4.09Å; Y40-K45 HydrophobicContact CD2-CG 3.71Å; Y40-K45 HydrophobicContact CE2-CB 3.96Å; Y40-K45 HydrophobicContact CE2-CD 3.43Å; Y40-K45 VanDerWaalsContact CE2-CD 3.43Å; Y40-K45 HydrophobicContact CE2-CG 3.6Å; Y40-K45 HydrophobicContact CG-CG 4.34Å; Y40-K45 WeakPolarHBondContact OH-CE 3.33Å; Y40-K45 PolarHBondContact OH-NZ 3.19Å; Y40-K45 VanDerWaalsContact OH-NZ 3.11Å
41	T	93.9	Very high	94.9	Very high	36 Å²	36	57.7 Å²	57.7	22%	0.221	33%	0.327	C	S	.	.			trans	-74.3	124	171.2	-64.4	0	0	0	0	109.5	W27 I28 S43 L44 K45	W27-T41 VanDerWaalsContact O-CB 3.31Å; W27-T41 WeakPolarHBondContact O-CB 3.26Å; W27-T41 PolarHBondContact O-OG1 2.75Å; I28-T41 PolarHBondContact O-N 2.82Å; T41-S43 VanDerWaalsContact C-N 3.3Å; T41-S43 WeakPolarHBondContact CG2-OG 2.96Å; T41-S43 PolarHBondContact O-N 3.01Å; T41-L44 HydrophobicContact CG2-CD1 4.43Å; T41-L44 HydrophobicContact CG2-CG 4.29Å; T41-L44 PolarHBondContact O-N 3.43Å; T41-K45 PolarHBondContact O-N 3.17Å
42	P	93.8	Very high	95	Very high	110 Å²	110	58.8 Å²	58.8	71%	0.714	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-54.9	-40.3	-171.8	-30.2	35.8	0	0	0	114.5	Y40 L44 K45	Y40-P42 WeakPolarHBondContact O-CD 2.99Å; P42-L44 PolarHBondContact O-N 3.23Å; P42-L44 VanDerWaalsContact O-N 3.17Å; P42-K45 PolarHBondContact O-N 2.94Å
43	S	91.5	Very high	95.2	Very high	82 Å²	82	60.1 Å²	60.1	57%	0.573	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.7	178.9	55.8	0	0	0	0	113.8	T41	T41-S43 VanDerWaalsContact C-N 3.3Å; T41-S43 WeakPolarHBondContact CG2-OG 2.96Å; T41-S43 PolarHBondContact O-N 3.01Å
44	L	92.3	Very high	95.3	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.016	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-114.1	-2.6	-173.3	-54	-175.8	0	0	0	113.7	E26 I28 T41 P42 D46 K47 F48	E26-L44 HydrophobicContact CG-CD1 4.38Å; I28-L44 HydrophobicContact CB-CD1 4.45Å; I28-L44 HydrophobicContact CG1-CD1 4Å; T41-L44 HydrophobicContact CG2-CD1 4.43Å; T41-L44 HydrophobicContact CG2-CG 4.29Å; T41-L44 PolarHBondContact O-N 3.43Å; P42-L44 PolarHBondContact O-N 3.23Å; P42-L44 VanDerWaalsContact O-N 3.17Å; L44-D46 PolarHBondContact O-N 3.28Å; L44-K47 PolarHBondContact O-N 2.84Å; L44-K47 VanDerWaalsContact O-N 3.16Å; L44-F48 HydrophobicContact CB-CD2 3.89Å; L44-F48 HydrophobicContact CB-CE2 4.13Å; L44-F48 HydrophobicContact CD1-CE2 4.29Å; L44-F48 HydrophobicContact CD2-CE2 4.21Å; L44-F48 HydrophobicContact CG-CE2 4.44Å; L44-F48 PolarHBondContact O-N 2.83Å
45	K	91.1	Very high	95.3	Very high	89 Å²	89	60.9 Å²	60.9	39%	0.387	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-50.5	-174.8	-175.6	-170.3	-177.3	167.9	0	112.6	R29 Y40 T41 P42 K47	R29-K45 PolarHBondContact NH2-O 2.95Å; Y40-K45 HydrophobicContact CD2-CB 3.74Å; Y40-K45 HydrophobicContact CD2-CD 4.09Å; Y40-K45 HydrophobicContact CD2-CG 3.71Å; Y40-K45 HydrophobicContact CE2-CB 3.96Å; Y40-K45 HydrophobicContact CE2-CD 3.43Å; Y40-K45 VanDerWaalsContact CE2-CD 3.43Å; Y40-K45 HydrophobicContact CE2-CG 3.6Å; Y40-K45 HydrophobicContact CG-CG 4.34Å; Y40-K45 WeakPolarHBondContact OH-CE 3.33Å; Y40-K45 PolarHBondContact OH-NZ 3.19Å; Y40-K45 VanDerWaalsContact OH-NZ 3.11Å; T41-K45 PolarHBondContact O-N 3.17Å; P42-K45 PolarHBondContact O-N 2.94Å; K45-K47 VanDerWaalsContact C-N 3.26Å; K45-K47 PolarHBondContact O-N 2.78Å
46	D	92.4	Very high	95.4	Very high	120 Å²	120	64.5 Å²	64.5	64%	0.642	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-2.8	-171.2	-59.9	-30.4	0	0	0	113.9	L44	L44-D46 PolarHBondContact O-N 3.28Å
47	K	95.2	Very high	95.4	Very high	33 Å²	33	63.6 Å²	63.6	14%	0.143	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-36.9	-177.8	-59.5	-171.2	-178.8	-170.6	0	112.6	L44 K45 S64 K65 D70	L44-K47 PolarHBondContact O-N 2.84Å; L44-K47 VanDerWaalsContact O-N 3.16Å; K45-K47 VanDerWaalsContact C-N 3.26Å; K45-K47 PolarHBondContact O-N 2.78Å; K47-S64 PolarHBondContact O-N 3.39Å; K47-K65 HydrophobicContact CG-CB 4.45Å; K47-D70 WeakPolarHBondContact CD-OD2 3.08Å; K47-D70 IonicContact NZ-OD1 2.74Å; K47-D70 PolarHBondContact NZ-OD1 3.07Å; K47-D70 IonicContact NZ-OD2 3.6Å; K47-D70 PolarHBondContact NZ-OD2 2.81Å
48	F	96.1	Very high	95.5	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.9	-170.9	-54.9	-57.1	0	0	0	111.6	I28 R29 L44 L61 Q62 M63 V66 D70 Y74	I28-F48 HydrophobicContact CG2-CB 3.77Å; I28-F48 HydrophobicContact CG2-CD2 3.42Å; I28-F48 VanDerWaalsContact CG2-CD2 3.42Å; I28-F48 HydrophobicContact CG2-CE2 4.29Å; I28-F48 HydrophobicContact CG2-CG 3.79Å; R29-F48 PolarHBondContact NE-O 2.79Å; R29-F48 PolarHBondContact NH2-O 3.41Å; L44-F48 HydrophobicContact CB-CD2 3.89Å; L44-F48 HydrophobicContact CB-CE2 4.13Å; L44-F48 HydrophobicContact CD1-CE2 4.29Å; L44-F48 HydrophobicContact CD2-CE2 4.21Å; L44-F48 HydrophobicContact CG-CE2 4.44Å; L44-F48 PolarHBondContact O-N 2.83Å; F48-L61 HydrophobicContact CB-CD1 3.86Å; F48-L61 HydrophobicContact CB-CG 4.47Å; F48-L61 HydrophobicContact CD1-CD2 4.37Å; F48-L61 HydrophobicContact CD1-CG 4.42Å; F48-L61 HydrophobicContact CG-CD1 4.41Å; F48-Q62 CarbonylContact C-O 3.59Å; F48-Q62 VanDerWaalsContact CA-O 3.3Å; F48-Q62 WeakPolarHBondContact CA-O 3.3Å; F48-M63 HydrophobicContact CD1-CB 3.97Å; F48-M63 HydrophobicContact CD1-CE 4.24Å; F48-M63 HydrophobicContact CD1-CG 3.69Å; F48-M63 HydrophobicContact CE1-CB 3.96Å; F48-M63 HydrophobicContact CE1-CE 3.43Å; F48-M63 VanDerWaalsContact CE1-CE 3.43Å; F48-M63 HydrophobicContact CE1-CG 3.78Å; F48-M63 HydrophobicContact CE1-SD 4.43Å; F48-M63 HydrophobicContact CZ-CE 4.15Å; F48-V66 HydrophobicContact CE1-CG1 3.77Å; F48-V66 HydrophobicContact CZ-CG1 4.31Å; F48-D70 HydrophobicContact CZ-CB 4.41Å; F48-Y74 HydrophobicContact CE1-CE1 4.37Å; F48-Y74 HydrophobicContact CZ-CE1 4.26Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.15Å
49	I	96.8	Very high	95.7	Very high	87 Å²	87	58.7 Å²	58.7	45%	0.446	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128.4	171.9	-57.7	173.2	0	0	0	107.2	L61 Q62	I49-L61 WeakPolarHBondContact O-CA 3.46Å; I49-Q62 HydrophobicContact CB-CB 4.27Å; I49-Q62 PolarHBondContact N-O 2.86Å; I49-Q62 PolarHBondContact O-N 3.01Å
50	I	97.8	Very high	95.9	Very high	5 Å²	5	58.6 Å²	58.6	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.2	175.8	-167	167.9	0	0	0	109.4	R29 I31 I38 L59 Y60	R29-I50 HydrophobicContact CB-CB 3.94Å; R29-I50 HydrophobicContact CB-CD1 4.05Å; R29-I50 HydrophobicContact CB-CG2 3.87Å; R29-I50 HydrophobicContact CG-CG2 4.48Å; I31-I50 HydrophobicContact CB-CD1 4.06Å; I31-I50 HydrophobicContact CB-CG1 4.27Å; I31-I50 HydrophobicContact CB-CG2 4.1Å; I31-I50 HydrophobicContact CD1-CG2 4.43Å; I31-I50 HydrophobicContact CG2-CD1 3.67Å; I31-I50 HydrophobicContact CG2-CG1 3.89Å; I38-I50 HydrophobicContact CD1-CG2 4.07Å; I38-I50 HydrophobicContact CG1-CG2 4.2Å; I38-I50 HydrophobicContact CG2-CG2 3.59Å; I50-L59 HydrophobicContact CD1-CD1 4.07Å; I50-L59 HydrophobicContact CD1-CD2 4.45Å; I50-L59 HydrophobicContact CG1-CD1 4Å; I50-Y60 WeakPolarHBondContact CA-O 3.46Å
51	S	98.2	Very high	96.1	Very high	55 Å²	55	55 Å²	55	39%	0.385	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	163.5	171	63.1	0	0	0	0	110.2	Y60	S51-Y60 PolarHBondContact N-O 3.22Å; S51-Y60 VanDerWaalsContact N-O 3.12Å; S51-Y60 PolarHBondContact O-N 3Å
52	R	98.1	Very high	96.2	Very high	26 Å²	26	58.8 Å²	58.8	10%	0.098	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.4	-177.8	63.3	-175.5	-66	158.5	2.7	111.5	F9 Y12 I31 N32 P33 S35 N54 T58 L59	F9-R52 VanDerWaalsContact CD1-NH2 3.3Å; F9-R52 HydrophobicContact CE1-CB 4.2Å; F9-R52 VanDerWaalsContact CE1-NH2 3.26Å; F9-R52 HydrophobicContact CZ-CB 4.11Å; F9-R52 PolarHBondContact O-NH2 3.21Å; Y12-R52 PolarHBondContact O-NH1 2.91Å; I31-R52 HydrophobicContact CD1-CG 4.04Å; N32-R52 WeakPolarHBondContact O-CD 3.34Å; N32-R52 PolarHBondContact O-NH1 2.85Å; P33-R52 VanDerWaalsContact CA-NH1 3.29Å; P33-R52 PolarHBondContact O-NE 2.83Å; S35-R52 WeakPolarHBondContact OG-CD 3.49Å; S35-R52 VanDerWaalsContact OG-CG 3.28Å; S35-R52 WeakPolarHBondContact OG-CG 3.28Å; R52-N54 VanDerWaalsContact CZ-OD1 3.23Å; R52-N54 PolarHBondContact NE-OD1 3.12Å; R52-N54 PolarHBondContact NH2-OD1 3.02Å; R52-T58 WeakPolarHBondContact CA-O 3.22Å; R52-L59 HydrophobicContact CB-CD1 4.11Å
53	D	98.1	Very high	96.3	Very high	41 Å²	41	56.5 Å²	56.5	22%	0.219	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	105.3	171.7	-176.4	-23.4	0	0	0	108.3	A55 K56 N57 T58 Y60	D53-A55 VanDerWaalsContact C-N 3.34Å; D53-A55 WeakPolarHBondContact OD1-CB 3.3Å; D53-A55 PolarHBondContact OD1-N 2.93Å; D53-K56 HydrophobicContact CB-CB 4.25Å; D53-K56 CarbonylContact O-C 3.59Å; D53-K56 PolarHBondContact O-N 2.7Å; D53-K56 PolarHBondContact OD1-N 3.47Å; D53-K56 VanDerWaalsContact OD1-N 3.14Å; D53-K56 VanDerWaalsContact OD2-CD 3.25Å; D53-K56 WeakPolarHBondContact OD2-CD 3.47Å; D53-K56 WeakPolarHBondContact OD2-CE 3.48Å; D53-K56 WeakPolarHBondContact OD2-CG 3.25Å; D53-K56 IonicContact OD2-NZ 2.75Å; D53-K56 PolarHBondContact OD2-NZ 2.68Å; D53-N57 PolarHBondContact O-N 2.99Å; D53-T58 PolarHBondContact N-O 3.4Å; D53-T58 PolarHBondContact O-N 2.8Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å
54	N	97.3	Very high	96.3	Very high	62 Å²	62	56 Å²	56	33%	0.332	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.8	-177.8	-71.8	-16.2	0	0	0	112.4	F9 P33 R52 K56 N57	F9-N54 WeakPolarHBondContact CE1-OD1 3.35Å; P33-N54 PolarHBondContact O-ND2 3.02Å; R52-N54 VanDerWaalsContact CZ-OD1 3.23Å; R52-N54 PolarHBondContact NE-OD1 3.12Å; R52-N54 PolarHBondContact NH2-OD1 3.02Å; N54-K56 PolarHBondContact O-N 3.1Å; N54-N57 PolarHBondContact O-N 2.71Å; N54-N57 PolarHBondContact O-OD1 3.11Å
55	A	96.8	Very high	96.2	Very high	97 Å²	97	62.6 Å²	62.6	80%	0.802	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-27.4	176.8	0	0	0	0	0	111.7	D53	D53-A55 VanDerWaalsContact C-N 3.34Å; D53-A55 WeakPolarHBondContact OD1-CB 3.3Å; D53-A55 PolarHBondContact OD1-N 2.93Å
56	K	97.7	Very high	96.3	Very high	129 Å²	129	60.7 Å²	60.7	56%	0.561	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	2.7	177.5	-61.1	-174.7	-167.4	118.9	0	114.1	D53 N54 T58	D53-K56 HydrophobicContact CB-CB 4.25Å; D53-K56 CarbonylContact O-C 3.59Å; D53-K56 PolarHBondContact O-N 2.7Å; D53-K56 PolarHBondContact OD1-N 3.47Å; D53-K56 VanDerWaalsContact OD1-N 3.14Å; D53-K56 VanDerWaalsContact OD2-CD 3.25Å; D53-K56 WeakPolarHBondContact OD2-CD 3.47Å; D53-K56 WeakPolarHBondContact OD2-CE 3.48Å; D53-K56 WeakPolarHBondContact OD2-CG 3.25Å; D53-K56 IonicContact OD2-NZ 2.75Å; D53-K56 PolarHBondContact OD2-NZ 2.68Å; N54-K56 PolarHBondContact O-N 3.1Å; K56-T58 PolarHBondContact O-N 3.02Å; K56-T58 VanDerWaalsContact O-N 3.1Å; K56-T58 PolarHBondContact O-OG1 3.04Å
57	N	97.1	Very high	96.4	Very high	66 Å²	66	62.4 Å²	62.4	35%	0.353	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	39.6	-171.6	-61.7	-34.7	0	0	0	113	A4 F9 D53 N54	A4-N57 PolarHBondContact N-O 3.31Å; F9-N57 HydrophobicContact CB-CB 3.93Å; F9-N57 HydrophobicContact CD1-CB 4.36Å; F9-N57 HydrophobicContact CG-CB 4.13Å; D53-N57 PolarHBondContact O-N 2.99Å; N54-N57 PolarHBondContact O-N 2.71Å; N54-N57 PolarHBondContact O-OD1 3.11Å
58	T	98.3	Very high	96.4	Very high	15 Å²	15	64.2 Å²	64.2	9%	0.092	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.1	-169.9	-59.2	0	0	0	0	111.9	C2 R52 D53 K56 Y60	C2-T58 CarbonylContact O-C 3.41Å; C2-T58 WeakPolarHBondContact O-CA 3.5Å; R52-T58 WeakPolarHBondContact CA-O 3.22Å; D53-T58 PolarHBondContact N-O 3.4Å; D53-T58 PolarHBondContact O-N 2.8Å; K56-T58 PolarHBondContact O-N 3.02Å; K56-T58 VanDerWaalsContact O-N 3.1Å; K56-T58 PolarHBondContact O-OG1 3.04Å; T58-Y60 HydrophobicContact CG2-CD1 4.32Å; T58-Y60 HydrophobicContact CG2-CD2 4.3Å; T58-Y60 HydrophobicContact CG2-CE1 3.7Å; T58-Y60 HydrophobicContact CG2-CE2 3.68Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.46Å
59	L	98.4	Very high	96.3	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140.6	171.3	-168.1	70.5	0	0	0	110.7	S1 C2 F9 M14 W16 I31 I50 R52 C76	S1-L59 CarbonylContact C-O 3.57Å; S1-L59 WeakPolarHBondContact CA-O 3.26Å; C2-L59 HydrophobicContact CB-CB 4.47Å; C2-L59 PolarHBondContact N-O 3.28Å; C2-L59 PolarHBondContact O-N 3.1Å; F9-L59 HydrophobicContact CE2-CB 4.28Å; F9-L59 HydrophobicContact CZ-CB 4.24Å; M14-L59 HydrophobicContact CB-CD1 3.66Å; M14-L59 HydrophobicContact CB-CD2 3.95Å; M14-L59 HydrophobicContact CB-CG 4.31Å; W16-L59 HydrophobicContact CG-CD2 4.28Å; W16-L59 VanDerWaalsContact NE1-CD2 3.27Å; I31-L59 HydrophobicContact CG2-CD1 3.6Å; I50-L59 HydrophobicContact CD1-CD1 4.07Å; I50-L59 HydrophobicContact CD1-CD2 4.45Å; I50-L59 HydrophobicContact CG1-CD1 4Å; R52-L59 HydrophobicContact CB-CD1 4.11Å; L59-C76 HydrophobicContact CD2-CB 4.2Å
60	Y	98.5	Very high	96.3	Very high	75 Å²	75	66.8 Å²	66.8	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.9	179.7	-57.2	-88.3	0	0	0	110.9	W16 I50 S51 D53 T58	W16-Y60 PolarHBondContact NE1-O 3.08Å; I50-Y60 WeakPolarHBondContact CA-O 3.46Å; S51-Y60 PolarHBondContact N-O 3.22Å; S51-Y60 VanDerWaalsContact N-O 3.12Å; S51-Y60 PolarHBondContact O-N 3Å; D53-Y60 HydrophobicContact CB-CE2 3.86Å; T58-Y60 HydrophobicContact CG2-CD1 4.32Å; T58-Y60 HydrophobicContact CG2-CD2 4.3Å; T58-Y60 HydrophobicContact CG2-CE1 3.7Å; T58-Y60 HydrophobicContact CG2-CE2 3.68Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.46Å
61	L	98.1	Very high	96.2	Very high	25 Å²	25	68.1 Å²	68.1	13%	0.131	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	109.8	168.3	-169.2	68.2	0	0	0	106.8	W16 I28 F48 I49 M63 Y74	W16-L61 HydrophobicContact CB-CD1 4.12Å; W16-L61 HydrophobicContact CB-CD2 4.21Å; W16-L61 HydrophobicContact CD2-CB 3.85Å; W16-L61 HydrophobicContact CD2-CD2 4.02Å; W16-L61 HydrophobicContact CD2-CG 4.4Å; W16-L61 HydrophobicContact CE3-CD2 4.24Å; W16-L61 HydrophobicContact CG-CB 3.97Å; W16-L61 HydrophobicContact CG-CD1 3.92Å; W16-L61 HydrophobicContact CG-CD2 4Å; W16-L61 HydrophobicContact CG-CG 4.2Å; W16-L61 HydrophobicContact CZ2-CB 4.18Å; I28-L61 HydrophobicContact CD1-CD2 4.09Å; I28-L61 HydrophobicContact CG2-CD1 4.18Å; F48-L61 HydrophobicContact CB-CD1 3.86Å; F48-L61 HydrophobicContact CB-CG 4.47Å; F48-L61 HydrophobicContact CD1-CD2 4.37Å; F48-L61 HydrophobicContact CD1-CG 4.42Å; F48-L61 HydrophobicContact CG-CD1 4.41Å; I49-L61 WeakPolarHBondContact O-CA 3.46Å; L61-M63 HydrophobicContact CD2-CG 4.3Å; L61-M63 HydrophobicContact CG-CG 4.24Å; L61-Y74 HydrophobicContact CD2-CD1 3.77Å; L61-Y74 HydrophobicContact CD2-CE1 4.01Å
62	Q	97.9	Very high	96.2	Very high	114 Å²	114	65.8 Å²	65.8	53%	0.533	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.6	169.9	179.3	178.4	-11.4	0	0	108.6	F48 I49	F48-Q62 CarbonylContact C-O 3.59Å; F48-Q62 VanDerWaalsContact CA-O 3.3Å; F48-Q62 WeakPolarHBondContact CA-O 3.3Å; I49-Q62 HydrophobicContact CB-CB 4.27Å; I49-Q62 PolarHBondContact N-O 2.86Å; I49-Q62 PolarHBondContact O-N 3.01Å
63	M	95.6	Very high	96.2	Very high	62 Å²	62	67.6 Å²	67.6	31%	0.305	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.4	-176.3	-50.1	173.4	82.1	0	0	107.9	F48 L61 V66 Y74 V96	F48-M63 HydrophobicContact CD1-CB 3.97Å; F48-M63 HydrophobicContact CD1-CE 4.24Å; F48-M63 HydrophobicContact CD1-CG 3.69Å; F48-M63 HydrophobicContact CE1-CB 3.96Å; F48-M63 HydrophobicContact CE1-CE 3.43Å; F48-M63 VanDerWaalsContact CE1-CE 3.43Å; F48-M63 HydrophobicContact CE1-CG 3.78Å; F48-M63 HydrophobicContact CE1-SD 4.43Å; F48-M63 HydrophobicContact CZ-CE 4.15Å; L61-M63 HydrophobicContact CD2-CG 4.3Å; L61-M63 HydrophobicContact CG-CG 4.24Å; M63-V66 HydrophobicContact CB-CG1 3.75Å; M63-V66 HydrophobicContact CE-CG1 4.04Å; M63-Y74 HydrophobicContact CE-CD1 4.18Å; M63-Y74 HydrophobicContact CE-CD2 4.49Å; M63-Y74 HydrophobicContact CE-CE1 3.44Å; M63-Y74 VanDerWaalsContact CE-CE1 3.44Å; M63-Y74 HydrophobicContact CE-CE2 3.84Å; M63-Y74 VanDerWaalsContact CE-OH 3.26Å; M63-Y74 WeakPolarHBondContact CE-OH 3.37Å; M63-V96 HydrophobicContact CE-CG1 4.15Å
64	S	90.9	Very high	96.2	Very high	73 Å²	73	65.8 Å²	65.8	51%	0.51	34%	0.341	S	S	.	.			trans	-117.9	-40.3	-170.6	-55.6	0	0	0	0	114.2	K47	K47-S64 PolarHBondContact O-N 3.39Å
65	K	90	Very high	96.3	Very high	140 Å²	140	64.4 Å²	64.4	61%	0.609	33%	0.331	S	S	*	.	S	Bend	trans	-116.5	44.1	-175.5	-62.3	-178.5	-175.7	173.2	0	111.6	K47	K47-K65 HydrophobicContact CG-CB 4.45Å
66	V	93.8	Very high	96.2	Very high	50 Å²	50	60.3 Å²	60.3	30%	0.303	30%	0.297	S	S	.	.			trans	-72.8	146.3	-178.3	-67.1	0	0	0	0	111.5	F48 M63 D70 V98	F48-V66 HydrophobicContact CE1-CG1 3.77Å; F48-V66 HydrophobicContact CZ-CG1 4.31Å; M63-V66 HydrophobicContact CB-CG1 3.75Å; M63-V66 HydrophobicContact CE-CG1 4.04Å; V66-D70 WeakPolarHBondContact CA-OD2 3.43Å; V66-D70 HydrophobicContact CB-CB 4.37Å; V66-D70 HydrophobicContact CG1-CB 4.47Å; V66-V98 HydrophobicContact CB-CG2 4.19Å; V66-V98 HydrophobicContact CG2-CG1 4.32Å; V66-V98 HydrophobicContact CG2-CG2 4.13Å
67	R	94.8	Very high	96.1	Very high	156 Å²	156	54.3 Å²	54.3	59%	0.589	27%	0.271	S	S	*	.			trans	-127.7	172.6	175.9	-59.8	-177.9	-176.1	177.8	-1.5	109.6	E69 D70 V98	R67-E69 PolarHBondContact O-N 3.18Å; R67-E69 VanDerWaalsContact O-N 3.15Å; R67-D70 PolarHBondContact N-OD2 3.01Å; R67-D70 WeakPolarHBondContact O-CA 3.3Å; R67-D70 WeakPolarHBondContact O-CB 3.36Å; R67-D70 PolarHBondContact O-N 2.71Å; R67-V98 WeakPolarHBondContact O-CB 3.25Å
68	S	95.2	Very high	95.8	Very high	70 Å²	70	51.4 Å²	51.4	49%	0.49	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-53.6	-35.1	176.9	53	0	0	0	0	113.3	D70 T71 V98	S68-D70 PolarHBondContact O-N 3Å; S68-T71 VanDerWaalsContact O-CB 3.27Å; S68-T71 WeakPolarHBondContact O-CB 3.29Å; S68-T71 PolarHBondContact O-N 3.47Å; S68-T71 PolarHBondContact O-OG1 3.25Å; S68-V98 WeakPolarHBondContact CA-O 3.19Å
69	E	93.6	Very high	95.1	Very high	140 Å²	140	51.8 Å²	51.8	65%	0.654	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-61	-19.8	174.1	-61.9	166.4	-136.7	0	0	114.4	R67 T71	R67-E69 PolarHBondContact O-N 3.18Å; R67-E69 VanDerWaalsContact O-N 3.15Å; E69-T71 VanDerWaalsContact C-N 3.29Å
70	D	95.6	Very high	93.7	Very high	2 Å²	2	58 Å²	58	1%	0.011	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-88.2	3.3	177.8	-57.5	-57.7	0	0	0	112.3	R18 K47 F48 V66 R67 S68 A72 Y74	R18-D70 IonicContact CZ-OD1 2.79Å; R18-D70 IonicContact NH1-OD1 2.77Å; R18-D70 PolarHBondContact NH1-OD1 2.88Å; R18-D70 IonicContact NH2-OD1 3.79Å; K47-D70 WeakPolarHBondContact CD-OD2 3.08Å; K47-D70 IonicContact NZ-OD1 2.74Å; K47-D70 PolarHBondContact NZ-OD1 3.07Å; K47-D70 IonicContact NZ-OD2 3.6Å; K47-D70 PolarHBondContact NZ-OD2 2.81Å; F48-D70 HydrophobicContact CZ-CB 4.41Å; V66-D70 WeakPolarHBondContact CA-OD2 3.43Å; V66-D70 HydrophobicContact CB-CB 4.37Å; V66-D70 HydrophobicContact CG1-CB 4.47Å; R67-D70 PolarHBondContact N-OD2 3.01Å; R67-D70 WeakPolarHBondContact O-CA 3.3Å; R67-D70 WeakPolarHBondContact O-CB 3.36Å; R67-D70 PolarHBondContact O-N 2.71Å; S68-D70 PolarHBondContact O-N 3Å; D70-A72 PolarHBondContact O-N 3.14Å; D70-Y74 PolarHBondContact O-OH 2.83Å
71	T	97.4	Very high	91.7	Very high	33 Å²	33	63 Å²	63	20%	0.202	30%	0.302	C	S	.	.			trans	-61.7	117.4	171.1	-65.2	0	0	0	0	110.4	P21 S68 E69 V96 T97 V98	P21-T71 VanDerWaalsContact CD-O 3.31Å; P21-T71 WeakPolarHBondContact CD-O 3.27Å; S68-T71 VanDerWaalsContact O-CB 3.27Å; S68-T71 WeakPolarHBondContact O-CB 3.29Å; S68-T71 PolarHBondContact O-N 3.47Å; S68-T71 PolarHBondContact O-OG1 3.25Å; E69-T71 VanDerWaalsContact C-N 3.29Å; T71-V96 WeakPolarHBondContact CA-O 3.29Å; T71-T97 HydrophobicContact CG2-CG2 4.33Å; T71-V98 PolarHBondContact OG1-N 3.34Å; T71-V98 PolarHBondContact OG1-O 3.15Å
72	A	97.7	Very high	89.6	Confident	5 Å²	5	71.1 Å²	71.1	4%	0.041	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	167.5	-174	0	0	0	0	0	111.8	R18 Q19 A20 D70 Y74 V96	R18-A72 HydrophobicContact CB-CB 3.94Å; R18-A72 HydrophobicContact CG-CB 4.46Å; Q19-A72 WeakPolarHBondContact O-CA 3.38Å; Q19-A72 VanDerWaalsContact O-CB 3.31Å; Q19-A72 WeakPolarHBondContact O-CB 3.1Å; A20-A72 HydrophobicContact CB-CB 4.36Å; D70-A72 PolarHBondContact O-N 3.14Å; A72-Y74 HydrophobicContact CB-CD2 4.21Å; A72-Y74 HydrophobicContact CB-CE2 3.74Å; A72-Y74 WeakPolarHBondContact O-CD2 3.43Å; A72-V96 PolarHBondContact N-O 3.02Å; A72-V96 VanDerWaalsContact N-O 3.11Å; A72-V96 PolarHBondContact O-N 2.95Å
73	L	98.3	Very high	87.3	Confident	64 Å²	64	75.8 Å²	75.8	34%	0.335	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.9	158.2	-73.7	164.2	0	0	0	109	R18 Q19 Y75 T94	R18-L73 CarbonylContact C-O 3.58Å; R18-L73 WeakPolarHBondContact CA-O 3.46Å; R18-L73 WeakPolarHBondContact CB-O 3.37Å; Q19-L73 PolarHBondContact N-O 3.14Å; Q19-L73 PolarHBondContact O-N 3.15Å; L73-Y75 HydrophobicContact CB-CE2 3.56Å; L73-Y75 WeakPolarHBondContact CB-OH 3.45Å; L73-Y75 VanDerWaalsContact CD1-OH 3.26Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.28Å; L73-T94 CarbonylContact C-O 3.48Å; L73-T94 WeakPolarHBondContact CA-O 3.36Å
74	Y	98.2	Very high	85.2	Confident	4 Å²	4	80.6 Å²	80.6	2%	0.016	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	124.7	-179.2	-75.9	-102.3	0	0	0	110.3	V17 R18 I28 F48 L61 M63 D70 A72 G93 T94 V96	V17-Y74 CarbonylContact O-C 3.57Å; V17-Y74 WeakPolarHBondContact O-CA 3.42Å; R18-Y74 HydrophobicContact CB-CD1 4.06Å; R18-Y74 HydrophobicContact CB-CE1 4.04Å; R18-Y74 HydrophobicContact CB-CG 4.33Å; I28-Y74 HydrophobicContact CD1-CD1 3.55Å; I28-Y74 HydrophobicContact CD1-CE1 3.44Å; I28-Y74 VanDerWaalsContact CD1-CE1 3.44Å; F48-Y74 HydrophobicContact CE1-CE1 4.37Å; F48-Y74 HydrophobicContact CZ-CE1 4.26Å; F48-Y74 WeakPolarHBondContact CZ-OH 3.15Å; L61-Y74 HydrophobicContact CD2-CD1 3.77Å; L61-Y74 HydrophobicContact CD2-CE1 4.01Å; M63-Y74 HydrophobicContact CE-CD1 4.18Å; M63-Y74 HydrophobicContact CE-CD2 4.49Å; M63-Y74 HydrophobicContact CE-CE1 3.44Å; M63-Y74 VanDerWaalsContact CE-CE1 3.44Å; M63-Y74 HydrophobicContact CE-CE2 3.84Å; M63-Y74 VanDerWaalsContact CE-OH 3.26Å; M63-Y74 WeakPolarHBondContact CE-OH 3.37Å; D70-Y74 PolarHBondContact O-OH 2.83Å; A72-Y74 HydrophobicContact CB-CD2 4.21Å; A72-Y74 HydrophobicContact CB-CE2 3.74Å; A72-Y74 WeakPolarHBondContact O-CD2 3.43Å; Y74-G93 CarbonylContact O-C 3.56Å; Y74-G93 VanDerWaalsContact O-CA 3.22Å; Y74-G93 WeakPolarHBondContact O-CA 3.33Å; Y74-T94 PolarHBondContact N-O 3.19Å; Y74-T94 PolarHBondContact O-N 2.94Å; Y74-V96 HydrophobicContact CD2-CB 3.76Å; Y74-V96 HydrophobicContact CD2-CG2 3.62Å; Y74-V96 HydrophobicContact CE2-CB 3.73Å; Y74-V96 HydrophobicContact CE2-CG1 4.45Å; Y74-V96 HydrophobicContact CE2-CG2 4.03Å; Y74-V96 HydrophobicContact CG-CG2 4.29Å
75	Y	97.8	Very high	83.1	Confident	33 Å²	33	84.5 Å²	84.5	13%	0.129	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.2	-177	-53.3	-93	0	0	0	109.7	W16 V17 Q19 L25 L73 W90	W16-Y75 CarbonylContact C-O 3.58Å; W16-Y75 WeakPolarHBondContact CA-O 3.33Å; W16-Y75 VanDerWaalsContact CE3-C 3.46Å; V17-Y75 PolarHBondContact N-O 3.34Å; V17-Y75 PolarHBondContact O-N 3.41Å; Q19-Y75 HydrophobicContact CB-CE2 4.01Å; L25-Y75 HydrophobicContact CD2-CD2 4.36Å; L25-Y75 HydrophobicContact CD2-CE2 4.29Å; L73-Y75 HydrophobicContact CB-CE2 3.56Å; L73-Y75 WeakPolarHBondContact CB-OH 3.45Å; L73-Y75 VanDerWaalsContact CD1-OH 3.26Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.28Å; Y75-W90 HydrophobicContact CD1-CE3 4.48Å; Y75-W90 HydrophobicContact CG-CE3 4.21Å; Y75-W90 HydrophobicContact CG-CZ3 4.27Å
76	C	96.3	Very high	81.3	Confident	11 Å²	11	79.4 Å²	79.4	7%	0.074	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.3	158.8	55.8	0	0	0	0	108.8	C2 S15 W16 L59 G91	C2-C76 HydrophobicContact CB-CB 3.31Å; C2-C76 WeakPolarHBondContact CB-SG 3.39Å; C2-C76 WeakPolarHBondContact SG-CB 3.4Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3Å; S15-C76 CarbonylContact O-C 3.41Å; S15-C76 WeakPolarHBondContact O-CA 3.42Å; W16-C76 HydrophobicContact CD2-CB 4.46Å; W16-C76 HydrophobicContact CE3-CB 4.39Å; W16-C76 HydrophobicContact CH2-CB 4.13Å; W16-C76 HydrophobicContact CZ2-CB 4.21Å; W16-C76 HydrophobicContact CZ3-CB 4.23Å; L59-C76 HydrophobicContact CD2-CB 4.2Å; C76-G91 PolarHBondContact O-N 3.01Å
77	A	94.4	Very high	79.8	Confident	2 Å²	2	79.6 Å²	79.6	2%	0.017	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	152.3	176.3	0	0	0	0	0	111.1	S15 W27 M87 Y89 W90	S15-A77 PolarHBondContact N-O 2.62Å; S15-A77 PolarHBondContact O-N 2.74Å; W27-A77 HydrophobicContact CH2-CB 4.47Å; A77-M87 HydrophobicContact CB-CE 3.27Å; A77-Y89 VanDerWaalsContact CA-O 3.28Å; A77-Y89 WeakPolarHBondContact CA-O 3.45Å; A77-W90 HydrophobicContact CB-CD2 3.79Å; A77-W90 HydrophobicContact CB-CE3 3.94Å; A77-W90 HydrophobicContact CB-CG 4.18Å; A77-W90 HydrophobicContact CB-CZ3 4.35Å
78	M	91.9	Very high	78.6	Confident	6 Å²	6	77.5 Å²	77.5	3%	0.03	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.9	171	-177.7	-161.4	69.2	0	0	109.3	F7 Y12 M14 M87 D88 Y89	F7-M78 HydrophobicContact CD2-SD 4.19Å; F7-M78 HydrophobicContact CE2-CB 4.45Å; F7-M78 HydrophobicContact CE2-CG 4.19Å; F7-M78 HydrophobicContact CE2-SD 4.23Å; F7-M78 HydrophobicContact CZ-CB 4.25Å; F7-M78 HydrophobicContact CZ-CG 4.48Å; Y12-M78 HydrophobicContact CD1-CG 4.35Å; Y12-M78 HydrophobicContact CD1-SD 3.89Å; Y12-M78 HydrophobicContact CD2-SD 4.24Å; Y12-M78 HydrophobicContact CE1-SD 4.34Å; Y12-M78 HydrophobicContact CG-CG 4.06Å; Y12-M78 HydrophobicContact CG-SD 3.83Å; M14-M78 HydrophobicContact CE-CB 4.39Å; M14-M78 HydrophobicContact SD-CB 4.11Å; M14-M78 HydrophobicContact SD-CG 4.25Å; M78-M87 VanDerWaalsContact O-CE 3.25Å; M78-M87 WeakPolarHBondContact O-CE 3.47Å; M78-D88 HydrophobicContact CE-CB 3.86Å; M78-Y89 HydrophobicContact CE-CD2 3.63Å; M78-Y89 HydrophobicContact CE-CE2 4.25Å; M78-Y89 PolarHBondContact N-O 2.95Å; M78-Y89 HydrophobicContact SD-CD2 3.74Å; M78-Y89 HydrophobicContact SD-CE2 4.35Å
79	T	82	Confident	78.2	Confident	23 Å²	23	79.5 Å²	79.5	14%	0.141	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	140.3	175.9	-52.3	0	0	0	0	110	W13 S15	W13-T79 WeakPolarHBondContact CB-O 3.32Å; W13-T79 PolarHBondContact N-O 3.2Å; W13-T79 PolarHBondContact O-N 3.19Å; S15-T79 PolarHBondContact OG-OG1 2.74Å
80	Y	69.1	Low	78.2	Confident	129 Å²	129	77.3 Å²	77.3	51%	0.506	35%	0.353	S	S	.	.			trans	-101.7	140.9	173.8	-162.7	-100	0	0	0	111.4	Y12 R82	Y12-Y80 HydrophobicContact CD1-CD2 4.19Å; Y12-Y80 HydrophobicContact CE1-CD2 4.1Å; Y12-Y80 HydrophobicContact CE1-CE2 4.21Å; Y80-R82 HydrophobicContact CD1-CB 4.08Å; Y80-R82 HydrophobicContact CE1-CB 4.22Å; Y80-R82 HydrophobicContact CE1-CG 4.22Å; Y80-R82 PolarHBondContact O-N 3.04Å
81	Y	57.6	Low	78.1	Confident	180 Å²	180	78.4 Å²	78.4	71%	0.706	37%	0.365	S	S	*	.	S	Bend	trans	-70.9	6	-170.6	-161.8	-103.1	0	0	0	115.2	W13	W13-Y81 HydrophobicContact CD2-CD2 4.31Å; W13-Y81 AromaticContact CE2-CD2 3.44Å; W13-Y81 VanDerWaalsContact CE2-CD2 3.44Å; W13-Y81 AromaticContact CE2-CE2 3.76Å; W13-Y81 HydrophobicContact CH2-CD2 4.37Å; W13-Y81 AromaticContact CH2-CE2 3.98Å; W13-Y81 HydrophobicContact CH2-CE2 3.98Å; W13-Y81 AromaticContact CZ2-CD2 3.5Å; W13-Y81 HydrophobicContact CZ2-CD2 3.5Å; W13-Y81 VanDerWaalsContact CZ2-CD2 3.5Å; W13-Y81 AromaticContact CZ2-CE2 3.26Å; W13-Y81 HydrophobicContact CZ2-CE2 3.26Å; W13-Y81 AromaticContact NE1-CD2 3.39Å
82	R	53.9	Low	78	Confident	197 Å²	197	85.7 Å²	85.7	74%	0.743	40%	0.397	S	S	*	.	S	Bend	trans	-116.1	110.1	174.9	-72.5	-171.1	180	-168	0.4	108.2	Y80	Y80-R82 HydrophobicContact CD1-CB 4.08Å; Y80-R82 HydrophobicContact CE1-CB 4.22Å; Y80-R82 HydrophobicContact CE1-CG 4.22Å; Y80-R82 PolarHBondContact O-N 3.04Å
83	Y	49.6	Very low	77.9	Confident	212 Å²	212	87 Å²	87	83%	0.831	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	8.5	110.4	163.4	-78.5	-93.3	0	0	0	115.2	D85	Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.72Å
84	D	51	Low	77.9	Confident	162 Å²	162	87.7 Å²	87.7	87%	0.866	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	-9.1	157.1	-69.3	-42.7	0	0	0	121.8
85	D	46.9	Very low	77.9	Confident	155 Å²	155	91.3 Å²	91.3	83%	0.829	44%	0.444	S	S	*	.	S	Bend	trans	-110.1	5.2	-160.6	-84.4	-29.6	0	0	0	120.1	Y83	Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.72Å
86	A	52.4	Low	77.9	Confident	34 Å²	34	91.6 Å²	91.6	28%	0.281	45%	0.449	S	S	.	.			trans	-161.4	97.8	170.3	0	0	0	0	0	114
87	M	62.6	Low	77.9	Confident	54 Å²	54	96.2 Å²	96.2	27%	0.266	48%	0.477	S	S	.	.			trans	-97.4	76.8	158.5	-62.1	-157.8	82.4	0	0	109	W27 A77 M78 Y89 W90	W27-M87 HydrophobicContact CH2-CE 3.24Å; W27-M87 HydrophobicContact CH2-SD 4.06Å; W27-M87 HydrophobicContact CZ2-CE 3.27Å; W27-M87 HydrophobicContact CZ2-SD 3.47Å; W27-M87 WeakPolarHBondContact CZ2-SD 3.25Å; A77-M87 HydrophobicContact CB-CE 3.27Å; M78-M87 VanDerWaalsContact O-CE 3.25Å; M78-M87 WeakPolarHBondContact O-CE 3.47Å; M87-Y89 VanDerWaalsContact C-N 3.26Å; M87-Y89 PolarHBondContact O-N 2.61Å; M87-W90 HydrophobicContact CB-CZ2 4.35Å; M87-W90 VanDerWaalsContact CB-NE1 3.27Å; M87-W90 HydrophobicContact CE-CZ2 4.01Å; M87-W90 PolarHBondContact O-NE1 3.14Å; M87-W90 HydrophobicContact SD-CH2 4.15Å; M87-W90 HydrophobicContact SD-CZ2 3.32Å; M87-W90 WeakPolarHBondContact SD-CZ2 3.22Å
88	D	69.9	Low	77.9	Confident	112 Å²	112	97.5 Å²	97.5	60%	0.599	48%	0.484	S	S	*	.			trans	-71.8	-22.4	-172.2	-59.2	-37	0	0	0	112.9	M78	M78-D88 HydrophobicContact CE-CB 3.86Å
89	Y	86.1	Confident	77.9	Confident	111 Å²	111	102.3 Å²	102.3	44%	0.435	52%	0.518	S	S	.	.			trans	-128.9	113.7	-175.4	-61.5	-82.7	0	0	0	112.1	F7 A77 M78 M87	F7-Y89 HydrophobicContact CD1-CD1 4.29Å; F7-Y89 HydrophobicContact CD1-CD2 4.02Å; F7-Y89 HydrophobicContact CD1-CE2 4.32Å; F7-Y89 HydrophobicContact CD1-CG 4.02Å; F7-Y89 HydrophobicContact CE1-CD2 4.34Å; F7-Y89 HydrophobicContact CE1-CG 4.06Å; A77-Y89 VanDerWaalsContact CA-O 3.28Å; A77-Y89 WeakPolarHBondContact CA-O 3.45Å; M78-Y89 HydrophobicContact CE-CD2 3.63Å; M78-Y89 HydrophobicContact CE-CE2 4.25Å; M78-Y89 PolarHBondContact N-O 2.95Å; M78-Y89 HydrophobicContact SD-CD2 3.74Å; M78-Y89 HydrophobicContact SD-CE2 4.35Å; M87-Y89 VanDerWaalsContact C-N 3.26Å; M87-Y89 PolarHBondContact O-N 2.61Å
90	W	93	Very high	77.8	Confident	94 Å²	94	109.7 Å²	109.7	36%	0.356	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-114	138.9	171.1	-72.6	75.9	0	0	0	110.5	V17 L25 Y75 A77 M87	V17-W90 HydrophobicContact CB-CH2 4.16Å; V17-W90 HydrophobicContact CB-CZ3 3.85Å; V17-W90 HydrophobicContact CG1-CH2 4.1Å; V17-W90 HydrophobicContact CG1-CZ3 4.07Å; V17-W90 HydrophobicContact CG2-CH2 3.66Å; V17-W90 HydrophobicContact CG2-CZ3 3.68Å; L25-W90 HydrophobicContact CD1-CH2 3.87Å; L25-W90 HydrophobicContact CD1-CZ3 4.42Å; L25-W90 HydrophobicContact CD2-CH2 4.46Å; L25-W90 HydrophobicContact CD2-CZ3 4.32Å; Y75-W90 HydrophobicContact CD1-CE3 4.48Å; Y75-W90 HydrophobicContact CG-CE3 4.21Å; Y75-W90 HydrophobicContact CG-CZ3 4.27Å; A77-W90 HydrophobicContact CB-CD2 3.79Å; A77-W90 HydrophobicContact CB-CE3 3.94Å; A77-W90 HydrophobicContact CB-CG 4.18Å; A77-W90 HydrophobicContact CB-CZ3 4.35Å; M87-W90 HydrophobicContact CB-CZ2 4.35Å; M87-W90 VanDerWaalsContact CB-NE1 3.27Å; M87-W90 HydrophobicContact CE-CZ2 4.01Å; M87-W90 PolarHBondContact O-NE1 3.14Å; M87-W90 HydrophobicContact SD-CH2 4.15Å; M87-W90 HydrophobicContact SD-CZ2 3.32Å; M87-W90 WeakPolarHBondContact SD-CZ2 3.22Å
91	G	94.4	Very high	78.2	Confident	25 Å²	25	108.7 Å²	108.7	26%	0.258	57%	0.574	S	S	.	*			trans	-68	158	163	0	0	0	0	0	110.8	C76 G93	C76-G91 PolarHBondContact O-N 3.01Å; G91-G93 PolarHBondContact O-N 3.49Å; G91-G93 VanDerWaalsContact O-N 3.08Å
92	Q	95.1	Very high	79.3	Confident	186 Å²	186	104.9 Å²	104.9	87%	0.869	57%	0.567	S	S	*	*			trans	-63.9	-14.4	178.3	-64.3	-61.7	-48.1	0	0	113.8
93	G	96.3	Very high	80.7	Confident	32 Å²	32	99.8 Å²	99.8	33%	0.33	56%	0.557	S	S	.	*			trans	87.3	156.8	-175.7	0	0	0	0	0	112.7	Y74 G91	Y74-G93 CarbonylContact O-C 3.56Å; Y74-G93 VanDerWaalsContact O-CA 3.22Å; Y74-G93 WeakPolarHBondContact O-CA 3.33Å; G91-G93 PolarHBondContact O-N 3.49Å; G91-G93 VanDerWaalsContact O-N 3.08Å
94	T	97.9	Very high	82.5	Confident	80 Å²	80	93.2 Å²	93.2	49%	0.491	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.8	172.5	-171.5	0	0	0	0	110	L73 Y74 V96	L73-T94 CarbonylContact C-O 3.48Å; L73-T94 WeakPolarHBondContact CA-O 3.36Å; Y74-T94 PolarHBondContact N-O 3.19Å; Y74-T94 PolarHBondContact O-N 2.94Å; T94-V96 HydrophobicContact CG2-CG2 4.43Å
95	S	97.6	Very high	84.5	Confident	80 Å²	80	88.9 Å²	88.9	56%	0.559	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.5	177.5	-174.6	0	0	0	0	109.7
96	V	97.5	Very high	87	Confident	39 Å²	39	84.5 Å²	84.5	24%	0.236	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.6	171	-178.6	0	0	0	0	107.4	M63 T71 A72 Y74 T94 V98	M63-V96 HydrophobicContact CE-CG1 4.15Å; T71-V96 WeakPolarHBondContact CA-O 3.29Å; A72-V96 PolarHBondContact N-O 3.02Å; A72-V96 VanDerWaalsContact N-O 3.11Å; A72-V96 PolarHBondContact O-N 2.95Å; Y74-V96 HydrophobicContact CD2-CB 3.76Å; Y74-V96 HydrophobicContact CD2-CG2 3.62Å; Y74-V96 HydrophobicContact CE2-CB 3.73Å; Y74-V96 HydrophobicContact CE2-CG1 4.45Å; Y74-V96 HydrophobicContact CE2-CG2 4.03Å; Y74-V96 HydrophobicContact CG-CG2 4.29Å; T94-V96 HydrophobicContact CG2-CG2 4.43Å; V96-V98 HydrophobicContact CG1-CG2 4.29Å
97	T	97.1	Very high	89.5	Confident	108 Å²	108	88.1 Å²	88.1	66%	0.663	52%	0.516	S	S	*	.			trans	-108	128.1	175.9	-56.8	0	0	0	0	109.3	T71	T71-T97 HydrophobicContact CG2-CG2 4.33Å
98	V	95.1	Very high	91.6	Very high	29 Å²	29	90.8 Å²	90.8	18%	0.176	54%	0.535	C	S	.	.			trans	-118.2	115.8	176.7	-174.4	0	0	0	0	107.6	V66 R67 S68 T71 V96	V66-V98 HydrophobicContact CB-CG2 4.19Å; V66-V98 HydrophobicContact CG2-CG1 4.32Å; V66-V98 HydrophobicContact CG2-CG2 4.13Å; R67-V98 WeakPolarHBondContact O-CB 3.25Å; S68-V98 WeakPolarHBondContact CA-O 3.19Å; T71-V98 PolarHBondContact OG1-N 3.34Å; T71-V98 PolarHBondContact OG1-O 3.15Å; V96-V98 HydrophobicContact CG1-CG2 4.29Å
99	S	90.8	Very high	93.4	Very high	106 Å²	106	89 Å²	89	74%	0.741	53%	0.53	S	S	*	.			trans	-102	154.4	172.5	57.3	0	0	0	0	110.5
100	S	79.6	Confident	94	Very high	178 Å²	178	87 Å²	87	100%	1.245	54%	0.539	S	S	*	.			trans	-71.4	0	171.6	57	0	0	0	0	112.6

Retrieved 100 of 100 residues in 33.7 ms (Link to these results)

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