X5J4E2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4E2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 98 aa.

						>X5J4E2_MOUSE|X5J4E2
SCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYSPSLKDEFIISRDNAKNTPYLQMTKVRSEDTALYYCARPRGNYAMDYWGQGTSVTVSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	96.9	Very high	94.6	Very high	106 Å²	106	69.2 Å²	69.2	74%	0.741	44%	0.441	S	S	*	.				0	165.6	0	52.2	0	0	0	0	108.9	P59 Y60	S1-P59 CarbonylContact C-O 3.39Å; S1-P59 VanDerWaalsContact CA-O 3.27Å; S1-P59 WeakPolarHBondContact CA-O 3.2Å; S1-Y60 VanDerWaalsContact CB-CD1 3.49Å; S1-Y60 VanDerWaalsContact CB-CE1 3.5Å
2	C	97.4	Very high	94.6	Very high	23 Å²	23	71.1 Å²	71.1	16%	0.155	43%	0.434	C	S	.	.			trans	-145.8	116.8	172.8	156.3	0	0	0	0	109	W16 T58 P59 C76	C2-W16 HydrophobicContact CB-CH2 3.8Å; C2-W16 HydrophobicContact CB-CZ2 4.34Å; C2-T58 WeakPolarHBondContact O-CA 3.47Å; C2-P59 HydrophobicContact CB-CG 4.1Å; C2-P59 PolarHBondContact N-O 3.13Å; C2-P59 WeakPolarHBondContact O-CD 3.34Å; C2-P59 WeakPolarHBondContact O-CG 3.37Å; C2-C76 HydrophobicContact CB-CB 3.39Å; C2-C76 WeakPolarHBondContact CB-SG 3.35Å; C2-C76 WeakPolarHBondContact SG-CB 3.25Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.23Å
3	A	96.4	Very high	94.7	Very high	80 Å²	80	72.3 Å²	72.3	66%	0.661	43%	0.426	S	S	*	.			trans	-81.1	125.4	177.9	0	0	0	0	0	110
4	A	94.9	Very high	94.9	Very high	17 Å²	17	67.5 Å²	67.5	14%	0.14	40%	0.398	C	S	.	.			trans	-89.8	143.7	177.7	0	0	0	0	0	111.2	F7 F9 N57	A4-F7 HydrophobicContact CB-CE1 4.1Å; A4-F7 HydrophobicContact CB-CE2 4.4Å; A4-F7 HydrophobicContact CB-CZ 3.72Å; A4-F9 HydrophobicContact CB-CB 4.46Å; A4-F9 HydrophobicContact CB-CD2 3.55Å; A4-F9 HydrophobicContact CB-CE2 4.19Å; A4-F9 HydrophobicContact CB-CG 4.33Å; A4-N57 WeakPolarHBondContact CB-O 3.5Å; A4-N57 PolarHBondContact N-O 3.32Å
5	S	93.8	Very high	95	Very high	101 Å²	101	63.1 Å²	63.1	71%	0.706	37%	0.372	S	S	*	.			trans	-146.3	160.1	173.7	61	0	0	0	0	110.3	F7	S5-F7 WeakPolarHBondContact O-CD1 3.48Å
6	G	92.3	Very high	95.2	Very high	75 Å²	75	59.9 Å²	59.9	77%	0.773	35%	0.351	S	S	*	.	S	Bend	trans	85	1.6	178.3	0	0	0	0	0	115.8
7	F	91.4	Very high	95.3	Very high	41 Å²	41	56.6 Å²	56.6	18%	0.18	33%	0.332	C	S	.	.	S	Bend	trans	-154.4	164.9	173.1	61.9	-86.8	0	0	0	111.4	A4 S5 F9 Y12 M14 R78 Y87	A4-F7 HydrophobicContact CB-CE1 4.1Å; A4-F7 HydrophobicContact CB-CE2 4.4Å; A4-F7 HydrophobicContact CB-CZ 3.72Å; S5-F7 WeakPolarHBondContact O-CD1 3.48Å; F7-F9 HydrophobicContact CE2-CB 4.45Å; F7-F9 HydrophobicContact CE2-CD2 4.28Å; F7-F9 PolarHBondContact O-N 2.99Å; F7-Y12 HydrophobicContact CB-CE2 4.5Å; F7-Y12 AromaticContact CD2-CD2 3.67Å; F7-Y12 HydrophobicContact CD2-CD2 3.67Å; F7-Y12 HydrophobicContact CD2-CE2 4.14Å; F7-Y12 HydrophobicContact CD2-CG 4.45Å; F7-Y12 HydrophobicContact CE2-CD2 4.21Å; F7-M14 HydrophobicContact CE2-SD 4.19Å; F7-M14 HydrophobicContact CZ-CE 4.39Å; F7-M14 HydrophobicContact CZ-SD 4.17Å; F7-R78 HydrophobicContact CE2-CG 4.34Å; F7-R78 HydrophobicContact CZ-CB 4.4Å; F7-R78 HydrophobicContact CZ-CG 4.44Å; F7-Y87 HydrophobicContact CD1-CD1 4.42Å; F7-Y87 HydrophobicContact CE1-CG 4.42Å
8	D	93.9	Very high	95.4	Very high	84 Å²	84	54.7 Å²	54.7	45%	0.449	32%	0.318	S	S	.	.			trans	-75.2	88.4	174.4	-177.4	-2.7	0	0	0	110.6	S10 R11 Y12	D8-S10 PolarHBondContact O-N 2.97Å; D8-S10 VanDerWaalsContact O-N 3.08Å; D8-S10 PolarHBondContact OD1-N 3.08Å; D8-S10 PolarHBondContact OD1-OG 3.27Å; D8-R11 HydrophobicContact CB-CG 4.41Å; D8-R11 PolarHBondContact O-N 3.24Å; D8-R11 VanDerWaalsContact O-N 3.08Å; D8-R11 WeakPolarHBondContact OD2-CD 3.35Å; D8-R11 VanDerWaalsContact OD2-CG 3.23Å; D8-R11 WeakPolarHBondContact OD2-CG 3.37Å; D8-Y12 WeakPolarHBondContact O-CD2 3.46Å
9	F	95.1	Very high	95.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-46.9	-38.9	-179.3	178.2	-103.4	0	0	0	113.9	A4 F7 R11 Y12 M14 R52 N54 N57 P59	A4-F9 HydrophobicContact CB-CB 4.46Å; A4-F9 HydrophobicContact CB-CD2 3.55Å; A4-F9 HydrophobicContact CB-CE2 4.19Å; A4-F9 HydrophobicContact CB-CG 4.33Å; F7-F9 HydrophobicContact CE2-CB 4.45Å; F7-F9 HydrophobicContact CE2-CD2 4.28Å; F7-F9 PolarHBondContact O-N 2.99Å; F9-R11 PolarHBondContact O-N 2.92Å; F9-R11 VanDerWaalsContact O-N 3.1Å; F9-Y12 PolarHBondContact O-N 3.39Å; F9-M14 HydrophobicContact CD2-CG 4.2Å; F9-M14 HydrophobicContact CD2-SD 3.96Å; F9-M14 HydrophobicContact CE2-CE 4.24Å; F9-M14 HydrophobicContact CE2-CG 3.39Å; F9-M14 HydrophobicContact CE2-SD 3.66Å; F9-M14 HydrophobicContact CZ-CG 3.95Å; F9-R52 VanDerWaalsContact CD1-NH2 3.28Å; F9-R52 HydrophobicContact CE1-CB 4.42Å; F9-R52 HydrophobicContact CZ-CB 4.23Å; F9-R52 PolarHBondContact O-NH2 3.02Å; F9-N54 VanDerWaalsContact CE1-OD1 3.25Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.44Å; F9-N57 HydrophobicContact CB-CB 3.81Å; F9-N57 WeakPolarHBondContact CB-OD1 3.33Å; F9-N57 VanDerWaalsContact CD1-CA 3.42Å; F9-N57 HydrophobicContact CD1-CB 4.19Å; F9-N57 HydrophobicContact CG-CB 3.96Å; F9-P59 HydrophobicContact CE2-CG 4.33Å; F9-P59 VanDerWaalsContact CZ-CD 3.46Å
10	S	94.5	Very high	95.5	Very high	50 Å²	50	54 Å²	54	35%	0.35	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-66.2	-14.1	-174.4	75.3	0	0	0	0	113.7	D8 P33	D8-S10 PolarHBondContact O-N 2.97Å; D8-S10 VanDerWaalsContact O-N 3.08Å; D8-S10 PolarHBondContact OD1-N 3.08Å; D8-S10 PolarHBondContact OD1-OG 3.27Å; S10-P33 WeakPolarHBondContact O-CB 3.34Å
11	R	94.2	Very high	95.5	Very high	184 Å²	184	56.3 Å²	56.3	69%	0.694	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-102.5	-6.6	-176.9	-62.3	-171.7	74.9	174.6	5.4	114.5	D8 F9	D8-R11 HydrophobicContact CB-CG 4.41Å; D8-R11 PolarHBondContact O-N 3.24Å; D8-R11 VanDerWaalsContact O-N 3.08Å; D8-R11 WeakPolarHBondContact OD2-CD 3.35Å; D8-R11 VanDerWaalsContact OD2-CG 3.23Å; D8-R11 WeakPolarHBondContact OD2-CG 3.37Å; F9-R11 PolarHBondContact O-N 2.92Å; F9-R11 VanDerWaalsContact O-N 3.1Å
12	Y	94.6	Very high	95.5	Very high	92 Å²	92	55.6 Å²	55.6	36%	0.361	34%	0.339	S	S	.	.	S	Bend	trans	-115.5	149.4	-175.1	-63.4	-83.6	0	0	0	112.4	F7 D8 F9 R52 R78	F7-Y12 HydrophobicContact CB-CE2 4.5Å; F7-Y12 AromaticContact CD2-CD2 3.67Å; F7-Y12 HydrophobicContact CD2-CD2 3.67Å; F7-Y12 HydrophobicContact CD2-CE2 4.14Å; F7-Y12 HydrophobicContact CD2-CG 4.45Å; F7-Y12 HydrophobicContact CE2-CD2 4.21Å; D8-Y12 WeakPolarHBondContact O-CD2 3.46Å; F9-Y12 PolarHBondContact O-N 3.39Å; Y12-R52 PolarHBondContact O-NH1 3.2Å; Y12-R78 HydrophobicContact CD1-CG 4.34Å; Y12-R78 HydrophobicContact CG-CG 4.19Å
13	W	95.8	Very high	95.4	Very high	87 Å²	87	61.5 Å²	61.5	33%	0.33	36%	0.362	S	S	.	.			trans	-65.4	154.3	161.9	-71.5	66.9	0	0	0	109.4	E30 I31 N32 T37 P79	W13-E30 HydrophobicContact CE3-CB 4.24Å; W13-E30 VanDerWaalsContact CE3-CD 3.44Å; W13-E30 HydrophobicContact CE3-CG 3.5Å; W13-E30 VanDerWaalsContact CE3-CG 3.5Å; W13-E30 HydrophobicContact CZ3-CG 3.68Å; W13-I31 VanDerWaalsContact CA-O 3.3Å; W13-I31 WeakPolarHBondContact CA-O 3.3Å; W13-N32 HydrophobicContact CD2-CB 3.67Å; W13-N32 HydrophobicContact CE3-CB 3.86Å; W13-N32 HydrophobicContact CG-CB 4.4Å; W13-N32 HydrophobicContact CH2-CB 3.66Å; W13-N32 HydrophobicContact CZ2-CB 3.41Å; W13-N32 VanDerWaalsContact CZ2-CB 3.41Å; W13-N32 HydrophobicContact CZ3-CB 3.86Å; W13-T37 HydrophobicContact CH2-CG2 3.95Å; W13-P79 HydrophobicContact CB-CG 4.04Å; W13-P79 WeakPolarHBondContact O-CD 3.3Å
14	M	96.9	Very high	95.4	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.025	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	127.4	176.8	-62	-59.8	-49.4	0	0	109.5	F7 F9 E30 I31 P59 A77 R78	F7-M14 HydrophobicContact CE2-SD 4.19Å; F7-M14 HydrophobicContact CZ-CE 4.39Å; F7-M14 HydrophobicContact CZ-SD 4.17Å; F9-M14 HydrophobicContact CD2-CG 4.2Å; F9-M14 HydrophobicContact CD2-SD 3.96Å; F9-M14 HydrophobicContact CE2-CE 4.24Å; F9-M14 HydrophobicContact CE2-CG 3.39Å; F9-M14 HydrophobicContact CE2-SD 3.66Å; F9-M14 HydrophobicContact CZ-CG 3.95Å; M14-E30 CarbonylContact O-C 3.5Å; M14-E30 WeakPolarHBondContact O-CA 3.04Å; M14-E30 WeakPolarHBondContact O-CB 3.24Å; M14-I31 HydrophobicContact CB-CG2 4.23Å; M14-I31 PolarHBondContact N-O 3.13Å; M14-I31 PolarHBondContact O-N 3.25Å; M14-P59 HydrophobicContact CB-CB 4.31Å; M14-P59 HydrophobicContact CE-CG 4.34Å; M14-A77 WeakPolarHBondContact CE-O 3.41Å; M14-R78 HydrophobicContact SD-CB 4.49Å; M14-R78 HydrophobicContact SD-CG 4.46Å
15	S	96.8	Very high	95.4	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.007	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	155	178.4	-55.1	0	0	0	0	112.1	G29 E30 C76 A77 P79	S15-G29 CarbonylContact C-O 3.52Å; S15-G29 VanDerWaalsContact CA-O 3.27Å; S15-G29 WeakPolarHBondContact CA-O 3.15Å; S15-E30 WeakPolarHBondContact OG-CB 3.38Å; S15-C76 CarbonylContact O-C 3.55Å; S15-C76 WeakPolarHBondContact O-CA 3.46Å; S15-A77 PolarHBondContact N-O 2.8Å; S15-A77 PolarHBondContact O-N 2.8Å; S15-P79 WeakPolarHBondContact OG-CG 3.44Å
16	W	97.8	Very high	95.5	Very high	12 Å²	12	62.5 Å²	62.5	5%	0.045	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	137.4	166.1	-73.2	100.3	0	0	0	110	C2 I28 G29 P59 Y60 L61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.8Å; C2-W16 HydrophobicContact CB-CZ2 4.34Å; W16-I28 HydrophobicContact CB-CB 4.08Å; W16-I28 HydrophobicContact CB-CD1 4.25Å; W16-I28 WeakPolarHBondContact O-CB 3.45Å; W16-I28 PolarHBondContact O-N 3.48Å; W16-G29 PolarHBondContact N-O 2.95Å; W16-P59 HydrophobicContact CZ2-CB 4.03Å; W16-P59 HydrophobicContact CZ2-CG 4.19Å; W16-Y60 PolarHBondContact NE1-O 3.08Å; W16-L61 HydrophobicContact CB-CD1 4.15Å; W16-L61 HydrophobicContact CB-CD2 4.3Å; W16-L61 HydrophobicContact CD2-CB 3.68Å; W16-L61 HydrophobicContact CD2-CD1 4.35Å; W16-L61 HydrophobicContact CD2-CD2 4.04Å; W16-L61 HydrophobicContact CD2-CG 4.25Å; W16-L61 HydrophobicContact CE3-CB 4.06Å; W16-L61 HydrophobicContact CE3-CD2 3.96Å; W16-L61 HydrophobicContact CG-CB 4.1Å; W16-L61 HydrophobicContact CG-CD1 3.9Å; W16-L61 HydrophobicContact CG-CD2 4.18Å; W16-L61 HydrophobicContact CG-CG 4.3Å; W16-L61 HydrophobicContact CH2-CB 4.24Å; W16-L61 HydrophobicContact CZ2-CB 3.87Å; W16-L61 HydrophobicContact CZ3-CB 4.32Å; W16-Y75 WeakPolarHBondContact CA-O 3.24Å; W16-Y75 VanDerWaalsContact CE3-O 3.28Å; W16-C76 HydrophobicContact CE3-CB 4.3Å; W16-C76 HydrophobicContact CH2-CB 4.08Å; W16-C76 HydrophobicContact CZ2-CB 4.39Å; W16-C76 HydrophobicContact CZ3-CB 4.04Å
17	V	97.2	Very high	95.6	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.024	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.3	-179.7	-177.4	0	0	0	0	107.7	L25 E26 Y75 M85 W88	V17-L25 HydrophobicContact CG1-CB 3.85Å; V17-L25 HydrophobicContact CG1-CD2 3.78Å; V17-L25 HydrophobicContact CG1-CG 4.35Å; V17-E26 CarbonylContact C-O 3.4Å; V17-E26 WeakPolarHBondContact CA-O 3.41Å; V17-E26 WeakPolarHBondContact CG1-O 3.39Å; V17-Y75 PolarHBondContact N-O 2.66Å; V17-Y75 PolarHBondContact O-N 3.29Å; V17-M85 HydrophobicContact CG2-CE 3.68Å; V17-M85 HydrophobicContact CG2-SD 3.96Å; V17-W88 HydrophobicContact CB-CH2 4.21Å; V17-W88 HydrophobicContact CB-CZ3 3.92Å; V17-W88 HydrophobicContact CG1-CH2 4.09Å; V17-W88 HydrophobicContact CG1-CZ3 4.06Å; V17-W88 HydrophobicContact CG2-CH2 3.92Å; V17-W88 HydrophobicContact CG2-CZ3 3.98Å
18	R	97.1	Very high	95.9	Very high	22 Å²	22	60.9 Å²	60.9	8%	0.083	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	158	169.9	66.3	178.1	-169.9	-175.6	0.2	112.4	E26 I28 E47 D70 A72 L73 Y74	R18-E26 HydrophobicContact CG-CB 4.22Å; R18-E26 IonicContact CZ-OE2 3.34Å; R18-E26 PolarHBondContact N-O 3.49Å; R18-E26 IonicContact NE-OE2 2.82Å; R18-E26 PolarHBondContact NE-OE2 3.11Å; R18-E26 IonicContact NH2-OE1 4Å; R18-E26 IonicContact NH2-OE2 2.95Å; R18-E26 PolarHBondContact NH2-OE2 2.94Å; R18-E26 PolarHBondContact O-N 2.87Å; R18-I28 HydrophobicContact CB-CD1 4.02Å; R18-I28 HydrophobicContact CB-CG1 4.45Å; R18-I28 HydrophobicContact CG-CD1 4.1Å; R18-I28 HydrophobicContact CG-CG1 4.1Å; R18-E47 IonicContact NH1-OE2 4Å; R18-D70 IonicContact NH1-OD1 3.04Å; R18-D70 PolarHBondContact NH1-OD1 2.82Å; R18-A72 HydrophobicContact CB-CB 4.05Å; R18-L73 CarbonylContact C-O 3.57Å; R18-L73 WeakPolarHBondContact CA-O 3.35Å; R18-Y74 HydrophobicContact CB-CD1 3.9Å; R18-Y74 HydrophobicContact CB-CE1 3.87Å; R18-Y74 HydrophobicContact CB-CG 4.33Å
19	Q	97.6	Very high	96	Very high	69 Å²	69	56.9 Å²	56.9	32%	0.322	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	104.9	172.5	-169.5	177.3	23	0	0	109.7	K23 L25 A72 L73 Y75	Q19-K23 WeakPolarHBondContact CG-O 3.34Å; Q19-K23 PolarHBondContact NE2-O 3.17Å; Q19-K23 VanDerWaalsContact NE2-O 3.13Å; Q19-L25 HydrophobicContact CB-CD2 4.07Å; Q19-A72 WeakPolarHBondContact O-CA 3.35Å; Q19-A72 WeakPolarHBondContact O-CB 3.21Å; Q19-L73 HydrophobicContact CB-CB 4.49Å; Q19-L73 PolarHBondContact N-O 3.4Å; Q19-L73 PolarHBondContact O-N 3.41Å; Q19-Y75 HydrophobicContact CB-CE2 4.17Å
20	A	96.3	Very high	96.1	Very high	27 Å²	27	58.7 Å²	58.7	22%	0.223	31%	0.313	C	S	.	.			trans	-71.3	152.8	172.1	0	0	0	0	0	110.8	G22 K23 A72	A20-G22 PolarHBondContact O-N 2.77Å; A20-K23 HydrophobicContact CB-CB 4.12Å; A20-K23 HydrophobicContact CB-CG 3.94Å; A20-K23 WeakPolarHBondContact O-CB 3.36Å; A20-K23 PolarHBondContact O-N 2.79Å; A20-A72 HydrophobicContact CB-CB 4.47Å
21	P	95.7	Very high	96.2	Very high	103 Å²	103	56.4 Å²	56.4	67%	0.669	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	126.4	176.9	-27	34.6	0	0	0	112.4	K23 T71	P21-K23 PolarHBondContact O-N 2.99Å; P21-T71 WeakPolarHBondContact CD-O 3.44Å; P21-T71 HydrophobicContact CG-CG2 4.46Å
22	G	95.9	Very high	96.3	Very high	90 Å²	90	48.2 Å²	48.2	93%	0.928	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	10.8	-179.1	0	0	0	0	0	115.3	A20	A20-G22 PolarHBondContact O-N 2.77Å
23	K	95.6	Very high	96.4	Very high	147 Å²	147	45.4 Å²	45.4	64%	0.639	26%	0.26	S	S	*	.			trans	-113.6	162.3	176.6	-58.9	-64.9	-175.2	175.6	0	111.8	Q19 A20 P21	Q19-K23 WeakPolarHBondContact CG-O 3.34Å; Q19-K23 PolarHBondContact NE2-O 3.17Å; Q19-K23 VanDerWaalsContact NE2-O 3.13Å; A20-K23 HydrophobicContact CB-CB 4.12Å; A20-K23 HydrophobicContact CB-CG 3.94Å; A20-K23 WeakPolarHBondContact O-CB 3.36Å; A20-K23 PolarHBondContact O-N 2.79Å; P21-K23 PolarHBondContact O-N 2.99Å
24	G	95.2	Very high	96.4	Very high	55 Å²	55	46.5 Å²	46.5	57%	0.567	27%	0.272	S	S	*	.			trans	-72.8	176.7	169.8	0	0	0	0	0	112.2	E26	G24-E26 PolarHBondContact O-N 2.87Å
25	L	95.2	Very high	96.4	Very high	97 Å²	97	48.7 Å²	48.7	51%	0.508	29%	0.288	S	S	.	.			trans	-66.7	129.2	171.7	-68.1	167.5	0	0	0	110	V17 Q19 Y75 W88	V17-L25 HydrophobicContact CG1-CB 3.85Å; V17-L25 HydrophobicContact CG1-CD2 3.78Å; V17-L25 HydrophobicContact CG1-CG 4.35Å; Q19-L25 HydrophobicContact CB-CD2 4.07Å; L25-Y75 HydrophobicContact CD2-CD2 4.37Å; L25-Y75 HydrophobicContact CD2-CE2 4.25Å; L25-W88 HydrophobicContact CD1-CH2 3.94Å; L25-W88 HydrophobicContact CD2-CZ3 4.42Å
26	E	95.8	Very high	96.4	Very high	67 Å²	67	52.8 Å²	52.8	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.4	175.7	-175.3	-179.6	-155.3	0	0	108.7	V17 R18 G24 L44	V17-E26 CarbonylContact C-O 3.4Å; V17-E26 WeakPolarHBondContact CA-O 3.41Å; V17-E26 WeakPolarHBondContact CG1-O 3.39Å; R18-E26 HydrophobicContact CG-CB 4.22Å; R18-E26 IonicContact CZ-OE2 3.34Å; R18-E26 PolarHBondContact N-O 3.49Å; R18-E26 IonicContact NE-OE2 2.82Å; R18-E26 PolarHBondContact NE-OE2 3.11Å; R18-E26 IonicContact NH2-OE1 4Å; R18-E26 IonicContact NH2-OE2 2.95Å; R18-E26 PolarHBondContact NH2-OE2 2.94Å; R18-E26 PolarHBondContact O-N 2.87Å; G24-E26 PolarHBondContact O-N 2.87Å; E26-L44 HydrophobicContact CG-CD1 4.07Å
27	W	95.8	Very high	96.4	Very high	82 Å²	82	55 Å²	55	31%	0.311	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.1	175.7	-180	82	0	0	0	110.2	G29 E30 N39 Y40 S41	W27-G29 VanDerWaalsContact CZ2-C 3.47Å; W27-G29 VanDerWaalsContact CZ2-CA 3.46Å; W27-G29 PolarHBondContact NE1-O 2.82Å; W27-E30 HydrophobicContact CZ2-CB 3.98Å; W27-E30 HydrophobicContact CZ2-CG 3.69Å; W27-N39 HydrophobicContact CH2-CB 3.82Å; W27-N39 HydrophobicContact CZ2-CB 4.41Å; W27-Y40 VanDerWaalsContact CZ3-C 3.43Å; W27-S41 VanDerWaalsContact CZ3-N 3.31Å; W27-S41 WeakPolarHBondContact O-CB 3.48Å
28	I	96.6	Very high	96.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-45.5	179.8	-59.8	177.2	0	0	0	110.3	W16 R18 Y40 S41 L44 F48 L61 Y74	W16-I28 HydrophobicContact CB-CB 4.08Å; W16-I28 HydrophobicContact CB-CD1 4.25Å; W16-I28 WeakPolarHBondContact O-CB 3.45Å; W16-I28 PolarHBondContact O-N 3.48Å; R18-I28 HydrophobicContact CB-CD1 4.02Å; R18-I28 HydrophobicContact CB-CG1 4.45Å; R18-I28 HydrophobicContact CG-CD1 4.1Å; R18-I28 HydrophobicContact CG-CG1 4.1Å; I28-Y40 WeakPolarHBondContact O-CA 3.17Å; I28-S41 PolarHBondContact O-N 2.79Å; I28-L44 HydrophobicContact CB-CD1 4.34Å; I28-L44 HydrophobicContact CG1-CD1 3.93Å; I28-L44 HydrophobicContact CG2-CD1 4.48Å; I28-F48 HydrophobicContact CG2-CB 4.03Å; I28-F48 HydrophobicContact CG2-CD2 3.74Å; I28-F48 HydrophobicContact CG2-CE2 4.45Å; I28-F48 HydrophobicContact CG2-CG 3.87Å; I28-L61 HydrophobicContact CD1-CD2 3.77Å; I28-L61 HydrophobicContact CG2-CD1 4.18Å; I28-Y74 HydrophobicContact CD1-CD1 3.81Å; I28-Y74 HydrophobicContact CD1-CE1 3.74Å
29	G	96.3	Very high	96.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-180	-173.6	0	0	0	0	0	112.2	S15 W16 W27 N39	S15-G29 CarbonylContact C-O 3.52Å; S15-G29 VanDerWaalsContact CA-O 3.27Å; S15-G29 WeakPolarHBondContact CA-O 3.15Å; W16-G29 PolarHBondContact N-O 2.95Å; W27-G29 VanDerWaalsContact CZ2-C 3.47Å; W27-G29 VanDerWaalsContact CZ2-CA 3.46Å; W27-G29 PolarHBondContact NE1-O 2.82Å; G29-N39 CarbonylContact C-O 3.54Å; G29-N39 WeakPolarHBondContact CA-O 3.05Å
30	E	96.5	Very high	96.4	Very high	38 Å²	38	59 Å²	59	18%	0.178	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.1	177	68.9	-175.2	166.6	0	0	112.4	W13 M14 S15 W27 I38 N39	W13-E30 HydrophobicContact CE3-CB 4.24Å; W13-E30 VanDerWaalsContact CE3-CD 3.44Å; W13-E30 HydrophobicContact CE3-CG 3.5Å; W13-E30 VanDerWaalsContact CE3-CG 3.5Å; W13-E30 HydrophobicContact CZ3-CG 3.68Å; M14-E30 CarbonylContact O-C 3.5Å; M14-E30 WeakPolarHBondContact O-CA 3.04Å; M14-E30 WeakPolarHBondContact O-CB 3.24Å; S15-E30 WeakPolarHBondContact OG-CB 3.38Å; W27-E30 HydrophobicContact CZ2-CB 3.98Å; W27-E30 HydrophobicContact CZ2-CG 3.69Å; E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.37Å; E30-I38 WeakPolarHBondContact O-CG2 3.26Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 2.85Å; E30-N39 PolarHBondContact O-N 3.48Å; E30-N39 PolarHBondContact OE1-ND2 3.1Å
31	I	97.7	Very high	96.3	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.2	178.5	-175	162.1	0	0	0	110.5	W13 M14 I38 I50 R52	W13-I31 VanDerWaalsContact CA-O 3.3Å; W13-I31 WeakPolarHBondContact CA-O 3.3Å; M14-I31 HydrophobicContact CB-CG2 4.23Å; M14-I31 PolarHBondContact N-O 3.13Å; M14-I31 PolarHBondContact O-N 3.25Å; I31-I38 HydrophobicContact CB-CG1 4.37Å; I31-I38 HydrophobicContact CD1-CD1 4.1Å; I31-I38 HydrophobicContact CD1-CG1 4.01Å; I31-I38 HydrophobicContact CG1-CG1 3.99Å; I31-I50 HydrophobicContact CB-CG2 3.71Å; I31-I50 HydrophobicContact CD1-CG2 4.4Å; I31-I50 HydrophobicContact CG2-CG2 3.62Å; I31-R52 HydrophobicContact CD1-CB 4.44Å; I31-R52 HydrophobicContact CD1-CG 3.89Å; I31-R52 HydrophobicContact CG1-CG 4.37Å; I31-R52 HydrophobicContact CG2-CB 4.44Å
32	N	96.4	Very high	96.2	Very high	13 Å²	13	59.9 Å²	59.9	7%	0.07	36%	0.356	C	S	.	.			trans	-77.2	166.9	-180	78.6	-26	0	0	0	112.3	W13 D34 S35 S36 T37 R52	W13-N32 HydrophobicContact CD2-CB 3.67Å; W13-N32 HydrophobicContact CE3-CB 3.86Å; W13-N32 HydrophobicContact CG-CB 4.4Å; W13-N32 HydrophobicContact CH2-CB 3.66Å; W13-N32 HydrophobicContact CZ2-CB 3.41Å; W13-N32 VanDerWaalsContact CZ2-CB 3.41Å; W13-N32 HydrophobicContact CZ3-CB 3.86Å; N32-D34 PolarHBondContact ND2-OD1 2.9Å; N32-D34 PolarHBondContact O-N 3.04Å; N32-D34 PolarHBondContact OD1-OD1 3.1Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; N32-S35 PolarHBondContact O-N 2.82Å; N32-S35 VanDerWaalsContact OD1-C 3.29Å; N32-S35 VanDerWaalsContact OD1-CA 3.24Å; N32-S35 WeakPolarHBondContact OD1-CA 3.43Å; N32-S35 PolarHBondContact OD1-N 2.87Å; N32-S36 PolarHBondContact ND2-OG 2.84Å; N32-S36 PolarHBondContact OD1-N 3.1Å; N32-T37 PolarHBondContact N-O 2.95Å; N32-T37 VanDerWaalsContact N-O 3.09Å; N32-T37 PolarHBondContact ND2-N 3.11Å; N32-T37 PolarHBondContact OD1-N 2.85Å; N32-T37 PolarHBondContact OD1-O 2.75Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; N32-R52 VanDerWaalsContact O-CD 3.29Å; N32-R52 WeakPolarHBondContact O-CD 3.43Å; N32-R52 PolarHBondContact O-NH1 2.91Å
33	P	96.8	Very high	96	Very high	33 Å²	33	59.1 Å²	59.1	21%	0.214	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.4	-46.1	179.9	-39.7	43.7	0	0	0	117.1	S10 R52 N54	S10-P33 WeakPolarHBondContact O-CB 3.34Å; P33-R52 VanDerWaalsContact CA-NH1 3.28Å; P33-R52 PolarHBondContact O-NE 2.82Å; P33-N54 PolarHBondContact O-ND2 2.64Å
34	D	96	Very high	95.7	Very high	109 Å²	109	52.3 Å²	52.3	58%	0.583	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	3.9	-174.5	66.2	9.6	0	0	0	113.3	N32 S36	N32-D34 PolarHBondContact ND2-OD1 2.9Å; N32-D34 PolarHBondContact O-N 3.04Å; N32-D34 PolarHBondContact OD1-OD1 3.1Å; N32-D34 VanDerWaalsContact OD1-OD1 3.13Å; D34-S36 VanDerWaalsContact CG-OG 3.32Å; D34-S36 PolarHBondContact O-N 2.01Å; D34-S36 VanDerWaalsContact OD1-CB 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.16Å; D34-S36 PolarHBondContact OD1-N 2.88Å; D34-S36 PolarHBondContact OD1-OG 2.84Å; D34-S36 PolarHBondContact OD2-OG 3.02Å
35	S	96.8	Very high	95.5	Very high	52 Å²	52	55.8 Å²	55.8	36%	0.364	31%	0.307	S	S	.	.	S	Bend	trans	63	10.9	-177.7	-43.5	0	0	0	0	115.4	N32 T37 R52	N32-S35 PolarHBondContact O-N 2.82Å; N32-S35 VanDerWaalsContact OD1-C 3.29Å; N32-S35 VanDerWaalsContact OD1-CA 3.24Å; N32-S35 WeakPolarHBondContact OD1-CA 3.43Å; N32-S35 PolarHBondContact OD1-N 2.87Å; S35-T37 VanDerWaalsContact C-N 3.32Å; S35-R52 WeakPolarHBondContact OG-CD 3.47Å; S35-R52 WeakPolarHBondContact OG-CG 3.47Å
36	S	97.2	Very high	95.4	Very high	86 Å²	86	57 Å²	57	60%	0.601	31%	0.314	S	S	*	.	S	Bend	trans	-74.9	-22.5	178.3	64.8	0	0	0	0	113.3	N32 D34	N32-S36 PolarHBondContact ND2-OG 2.84Å; N32-S36 PolarHBondContact OD1-N 3.1Å; D34-S36 VanDerWaalsContact CG-OG 3.32Å; D34-S36 PolarHBondContact O-N 2.01Å; D34-S36 VanDerWaalsContact OD1-CB 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.16Å; D34-S36 PolarHBondContact OD1-N 2.88Å; D34-S36 PolarHBondContact OD1-OG 2.84Å; D34-S36 PolarHBondContact OD2-OG 3.02Å
37	T	97.4	Very high	95.3	Very high	58 Å²	58	56 Å²	56	36%	0.356	31%	0.309	S	S	.	.			trans	-129.5	130.9	-177.9	-55.2	0	0	0	0	110.6	W13 N32 S35	W13-T37 HydrophobicContact CH2-CG2 3.95Å; N32-T37 PolarHBondContact N-O 2.95Å; N32-T37 VanDerWaalsContact N-O 3.09Å; N32-T37 PolarHBondContact ND2-N 3.11Å; N32-T37 PolarHBondContact OD1-N 2.85Å; N32-T37 PolarHBondContact OD1-O 2.75Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; S35-T37 VanDerWaalsContact C-N 3.32Å
38	I	97.4	Very high	95.2	Very high	61 Å²	61	52.2 Å²	52.2	31%	0.313	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123	172.5	-50.9	173.3	0	0	0	107.9	E30 I31 Y40 I50	E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.37Å; E30-I38 WeakPolarHBondContact O-CG2 3.26Å; I31-I38 HydrophobicContact CB-CG1 4.37Å; I31-I38 HydrophobicContact CD1-CD1 4.1Å; I31-I38 HydrophobicContact CD1-CG1 4.01Å; I31-I38 HydrophobicContact CG1-CG1 3.99Å; I38-Y40 HydrophobicContact CB-CE2 3.98Å; I38-Y40 HydrophobicContact CG2-CD2 3.93Å; I38-Y40 HydrophobicContact CG2-CE1 4.28Å; I38-Y40 HydrophobicContact CG2-CE2 3.29Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.5Å; I38-I50 WeakPolarHBondContact CD1-O 2.97Å; I38-I50 HydrophobicContact CG2-CB 4.08Å; I38-I50 HydrophobicContact CG2-CD1 4.28Å
39	N	96.1	Very high	95.3	Very high	66 Å²	66	55.8 Å²	55.8	35%	0.353	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141	172.5	-59.6	-38.2	0	0	0	108.7	W27 G29 E30	W27-N39 HydrophobicContact CH2-CB 3.82Å; W27-N39 HydrophobicContact CZ2-CB 4.41Å; G29-N39 CarbonylContact C-O 3.54Å; G29-N39 WeakPolarHBondContact CA-O 3.05Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 2.85Å; E30-N39 PolarHBondContact O-N 3.48Å; E30-N39 PolarHBondContact OE1-ND2 3.1Å
40	Y	96.8	Very high	95.3	Very high	54 Å²	54	55.9 Å²	55.9	21%	0.212	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.4	177.5	-71.1	-85.7	0	0	0	110.3	W27 I28 I38 K45 F48 I50	W27-Y40 VanDerWaalsContact CZ3-C 3.43Å; I28-Y40 WeakPolarHBondContact O-CA 3.17Å; I38-Y40 HydrophobicContact CB-CE2 3.98Å; I38-Y40 HydrophobicContact CG2-CD2 3.93Å; I38-Y40 HydrophobicContact CG2-CE1 4.28Å; I38-Y40 HydrophobicContact CG2-CE2 3.29Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.5Å; Y40-K45 HydrophobicContact CD2-CG 4.31Å; Y40-K45 HydrophobicContact CG-CB 4.24Å; Y40-K45 HydrophobicContact CG-CG 4.3Å; Y40-F48 WeakPolarHBondContact CE1-O 3.47Å; Y40-I50 HydrophobicContact CD1-CD1 4.18Å; Y40-I50 HydrophobicContact CE1-CB 4.46Å; Y40-I50 HydrophobicContact CE1-CD1 3.75Å; Y40-I50 HydrophobicContact CE1-CG1 3.82Å; Y40-I50 PolarHBondContact OH-N 2.82Å
41	S	95.1	Very high	95.4	Very high	19 Å²	19	56.4 Å²	56.4	13%	0.133	32%	0.322	C	S	.	.			trans	-62.4	132.5	160.4	176.9	0	0	0	0	108.9	W27 I28 S43 L44 K45	W27-S41 VanDerWaalsContact CZ3-N 3.31Å; W27-S41 WeakPolarHBondContact O-CB 3.48Å; I28-S41 PolarHBondContact O-N 2.79Å; S41-S43 PolarHBondContact O-N 3.13Å; S41-S43 VanDerWaalsContact O-N 3.1Å; S41-S43 PolarHBondContact OG-OG 3.11Å; S41-S43 VanDerWaalsContact OG-OG 3.11Å; S41-L44 PolarHBondContact O-N 2.97Å; S41-K45 PolarHBondContact O-N 3.07Å; S41-K45 VanDerWaalsContact O-N 3.1Å
42	P	93.5	Very high	95.4	Very high	128 Å²	128	57.5 Å²	57.5	83%	0.831	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.9	-179.1	-28.3	35.1	0	0	0	114
43	S	91	Very high	95.5	Very high	75 Å²	75	59 Å²	59	52%	0.524	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.2	179.3	50.7	0	0	0	0	114.1	S41	S41-S43 PolarHBondContact O-N 3.13Å; S41-S43 VanDerWaalsContact O-N 3.1Å; S41-S43 PolarHBondContact OG-OG 3.11Å; S41-S43 VanDerWaalsContact OG-OG 3.11Å
44	L	91	Very high	95.5	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-3.3	-168.5	-56.8	-177.1	0	0	0	114.3	E26 I28 S41 D46 E47 F48	E26-L44 HydrophobicContact CG-CD1 4.07Å; I28-L44 HydrophobicContact CB-CD1 4.34Å; I28-L44 HydrophobicContact CG1-CD1 3.93Å; I28-L44 HydrophobicContact CG2-CD1 4.48Å; S41-L44 PolarHBondContact O-N 2.97Å; L44-D46 PolarHBondContact O-N 2.87Å; L44-D46 VanDerWaalsContact O-N 3.13Å; L44-E47 WeakPolarHBondContact CD2-OE2 3.46Å; L44-E47 PolarHBondContact O-N 3Å; L44-E47 VanDerWaalsContact O-N 3.11Å; L44-F48 HydrophobicContact CB-CD2 4.03Å; L44-F48 HydrophobicContact CB-CE2 4.17Å; L44-F48 HydrophobicContact CD1-CE2 4.44Å; L44-F48 HydrophobicContact CD2-CE2 4.3Å
45	K	90.6	Very high	95.5	Very high	127 Å²	127	59.6 Å²	59.6	55%	0.552	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-39.1	-177.1	172.4	-176.4	165.9	-174.8	0	114	Y40 S41	Y40-K45 HydrophobicContact CD2-CG 4.31Å; Y40-K45 HydrophobicContact CG-CB 4.24Å; Y40-K45 HydrophobicContact CG-CG 4.3Å; S41-K45 PolarHBondContact O-N 3.07Å; S41-K45 VanDerWaalsContact O-N 3.1Å
46	D	91.9	Very high	95.5	Very high	123 Å²	123	63.3 Å²	63.3	66%	0.658	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	1.8	-172.8	-60.1	-35.6	0	0	0	113.2	L44 T64	L44-D46 PolarHBondContact O-N 2.87Å; L44-D46 VanDerWaalsContact O-N 3.13Å; D46-T64 PolarHBondContact O-OG1 2.8Å
47	E	93.5	Very high	95.5	Very high	45 Å²	45	62.4 Å²	62.4	21%	0.21	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-25	-177.9	-62.8	-176.1	175	0	0	112.6	R18 L44 T64	R18-E47 IonicContact NH1-OE2 4Å; L44-E47 WeakPolarHBondContact CD2-OE2 3.46Å; L44-E47 PolarHBondContact O-N 3Å; L44-E47 VanDerWaalsContact O-N 3.11Å; E47-T64 PolarHBondContact O-N 3.31Å; E47-T64 PolarHBondContact O-OG1 3.26Å
48	F	95.4	Very high	95.5	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.013	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144.9	-174.4	-56.3	-86.2	0	0	0	112.2	I28 Y40 L44 L61 Q62 M63 Y74	I28-F48 HydrophobicContact CG2-CB 4.03Å; I28-F48 HydrophobicContact CG2-CD2 3.74Å; I28-F48 HydrophobicContact CG2-CE2 4.45Å; I28-F48 HydrophobicContact CG2-CG 3.87Å; Y40-F48 WeakPolarHBondContact CE1-O 3.47Å; L44-F48 HydrophobicContact CB-CD2 4.03Å; L44-F48 HydrophobicContact CB-CE2 4.17Å; L44-F48 HydrophobicContact CD1-CE2 4.44Å; L44-F48 HydrophobicContact CD2-CE2 4.3Å; F48-L61 HydrophobicContact CB-CD1 3.75Å; F48-L61 HydrophobicContact CB-CG 4.48Å; F48-L61 HydrophobicContact CD1-CD1 4.01Å; F48-L61 HydrophobicContact CD1-CD2 3.94Å; F48-L61 HydrophobicContact CD1-CG 3.91Å; F48-L61 HydrophobicContact CE1-CD2 4.34Å; F48-L61 HydrophobicContact CG-CD1 4.14Å; F48-Q62 CarbonylContact C-O 3.57Å; F48-Q62 WeakPolarHBondContact CA-O 3.27Å; F48-M63 HydrophobicContact CD1-CB 4.47Å; F48-M63 HydrophobicContact CD1-CG 3.92Å; F48-M63 HydrophobicContact CE1-CB 4.41Å; F48-M63 HydrophobicContact CE1-CE 4.03Å; F48-M63 HydrophobicContact CE1-CG 3.74Å; F48-M63 HydrophobicContact CE1-SD 4.45Å; F48-Y74 AromaticContact CE1-CE1 3.76Å; F48-Y74 HydrophobicContact CE1-CE1 3.76Å; F48-Y74 HydrophobicContact CZ-CE1 4.12Å
49	I	97	Very high	95.5	Very high	75 Å²	75	57.4 Å²	57.4	39%	0.385	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122	167.7	-62.6	168.4	0	0	0	107.8	Q62 T64	I49-Q62 HydrophobicContact CB-CB 4.23Å; I49-Q62 PolarHBondContact N-O 2.85Å; I49-Q62 PolarHBondContact O-N 2.78Å; I49-T64 HydrophobicContact CD1-CG2 3.52Å; I49-T64 HydrophobicContact CG1-CG2 3.63Å
50	I	98.1	Very high	95.7	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.8	174.2	-60.1	170.9	0	0	0	109.2	I31 I38 Y40 L61	I31-I50 HydrophobicContact CB-CG2 3.71Å; I31-I50 HydrophobicContact CD1-CG2 4.4Å; I31-I50 HydrophobicContact CG2-CG2 3.62Å; I38-I50 WeakPolarHBondContact CD1-O 2.97Å; I38-I50 HydrophobicContact CG2-CB 4.08Å; I38-I50 HydrophobicContact CG2-CD1 4.28Å; Y40-I50 HydrophobicContact CD1-CD1 4.18Å; Y40-I50 HydrophobicContact CE1-CB 4.46Å; Y40-I50 HydrophobicContact CE1-CD1 3.75Å; Y40-I50 HydrophobicContact CE1-CG1 3.82Å; Y40-I50 PolarHBondContact OH-N 2.82Å; I50-L61 HydrophobicContact CD1-CD1 4.5Å; I50-L61 HydrophobicContact CG1-CD1 3.68Å
51	S	98.1	Very high	95.7	Very high	49 Å²	49	56.4 Å²	56.4	34%	0.343	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	172.7	171.7	64.2	0	0	0	0	110.9	Y60	S51-Y60 PolarHBondContact N-O 2.87Å; S51-Y60 VanDerWaalsContact N-O 3.07Å; S51-Y60 PolarHBondContact O-N 3.08Å
52	R	98.1	Very high	95.8	Very high	25 Å²	25	61 Å²	61	9%	0.094	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	153	179.5	64.3	-176	-68	158.3	1	112	F9 Y12 I31 N32 P33 S35 N54 T58	F9-R52 VanDerWaalsContact CD1-NH2 3.28Å; F9-R52 HydrophobicContact CE1-CB 4.42Å; F9-R52 HydrophobicContact CZ-CB 4.23Å; F9-R52 PolarHBondContact O-NH2 3.02Å; Y12-R52 PolarHBondContact O-NH1 3.2Å; I31-R52 HydrophobicContact CD1-CB 4.44Å; I31-R52 HydrophobicContact CD1-CG 3.89Å; I31-R52 HydrophobicContact CG1-CG 4.37Å; I31-R52 HydrophobicContact CG2-CB 4.44Å; N32-R52 VanDerWaalsContact O-CD 3.29Å; N32-R52 WeakPolarHBondContact O-CD 3.43Å; N32-R52 PolarHBondContact O-NH1 2.91Å; P33-R52 VanDerWaalsContact CA-NH1 3.28Å; P33-R52 PolarHBondContact O-NE 2.82Å; S35-R52 WeakPolarHBondContact OG-CD 3.47Å; S35-R52 WeakPolarHBondContact OG-CG 3.47Å; R52-N54 PolarHBondContact NE-OD1 3.3Å; R52-N54 PolarHBondContact NH2-OD1 2.85Å; R52-T58 WeakPolarHBondContact CA-O 3.49Å
53	D	97.6	Very high	95.9	Very high	43 Å²	43	57 Å²	57	23%	0.23	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	109.7	170.3	-176.2	-21.9	0	0	0	108.6	A55 K56 N57 T58 Y60	D53-A55 WeakPolarHBondContact OD1-CB 2.99Å; D53-A55 PolarHBondContact OD1-N 2.82Å; D53-K56 HydrophobicContact CB-CB 4.22Å; D53-K56 PolarHBondContact O-N 3Å; D53-K56 PolarHBondContact OD1-N 2.92Å; D53-K56 WeakPolarHBondContact OD2-CD 2.96Å; D53-K56 WeakPolarHBondContact OD2-CE 3.27Å; D53-K56 WeakPolarHBondContact OD2-CG 3.44Å; D53-K56 IonicContact OD2-NZ 3.55Å; D53-K56 PolarHBondContact OD2-NZ 3.31Å; D53-N57 PolarHBondContact O-N 2.85Å; D53-N57 VanDerWaalsContact O-N 3.1Å; D53-T58 PolarHBondContact N-O 3Å; D53-T58 PolarHBondContact O-N 2.75Å; D53-Y60 HydrophobicContact CB-CE2 3.78Å
54	N	96.7	Very high	95.9	Very high	61 Å²	61	56.5 Å²	56.5	33%	0.326	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-28.2	-179.2	-74.1	-17.6	0	0	0	112.6	F9 P33 R52 K56 N57	F9-N54 VanDerWaalsContact CE1-OD1 3.25Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.44Å; P33-N54 PolarHBondContact O-ND2 2.64Å; R52-N54 PolarHBondContact NE-OD1 3.3Å; R52-N54 PolarHBondContact NH2-OD1 2.85Å; N54-K56 PolarHBondContact O-N 3.01Å; N54-N57 PolarHBondContact O-N 2.97Å; N54-N57 PolarHBondContact O-OD1 3.22Å
55	A	96.1	Very high	95.6	Very high	95 Å²	95	61.9 Å²	61.9	79%	0.785	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.7	176.4	0	0	0	0	0	111.7	D53	D53-A55 WeakPolarHBondContact OD1-CB 2.99Å; D53-A55 PolarHBondContact OD1-N 2.82Å
56	K	97.1	Very high	95.6	Very high	129 Å²	129	60 Å²	60	56%	0.561	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	2.5	177.9	-62.2	-179.7	-167.3	154.9	0	114.1	D53 N54 T58	D53-K56 HydrophobicContact CB-CB 4.22Å; D53-K56 PolarHBondContact O-N 3Å; D53-K56 PolarHBondContact OD1-N 2.92Å; D53-K56 WeakPolarHBondContact OD2-CD 2.96Å; D53-K56 WeakPolarHBondContact OD2-CE 3.27Å; D53-K56 WeakPolarHBondContact OD2-CG 3.44Å; D53-K56 IonicContact OD2-NZ 3.55Å; D53-K56 PolarHBondContact OD2-NZ 3.31Å; N54-K56 PolarHBondContact O-N 3.01Å; K56-T58 PolarHBondContact O-N 3.18Å; K56-T58 PolarHBondContact O-OG1 2.99Å
57	N	96.9	Very high	95.6	Very high	68 Å²	68	59.8 Å²	59.8	36%	0.364	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.2	-173.4	-61.3	-38.5	0	0	0	113.5	A4 F9 D53 N54	A4-N57 WeakPolarHBondContact CB-O 3.5Å; A4-N57 PolarHBondContact N-O 3.32Å; F9-N57 HydrophobicContact CB-CB 3.81Å; F9-N57 WeakPolarHBondContact CB-OD1 3.33Å; F9-N57 VanDerWaalsContact CD1-CA 3.42Å; F9-N57 HydrophobicContact CD1-CB 4.19Å; F9-N57 HydrophobicContact CG-CB 3.96Å; D53-N57 PolarHBondContact O-N 2.85Å; D53-N57 VanDerWaalsContact O-N 3.1Å; N54-N57 PolarHBondContact O-N 2.97Å; N54-N57 PolarHBondContact O-OD1 3.22Å
58	T	97.9	Very high	95.6	Very high	13 Å²	13	60.7 Å²	60.7	8%	0.08	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118.3	-166.6	-63.8	0	0	0	0	112.2	C2 R52 D53 K56 Y60	C2-T58 WeakPolarHBondContact O-CA 3.47Å; R52-T58 WeakPolarHBondContact CA-O 3.49Å; D53-T58 PolarHBondContact N-O 3Å; D53-T58 PolarHBondContact O-N 2.75Å; K56-T58 PolarHBondContact O-N 3.18Å; K56-T58 PolarHBondContact O-OG1 2.99Å; T58-Y60 HydrophobicContact CG2-CD1 4.43Å; T58-Y60 HydrophobicContact CG2-CD2 4.31Å; T58-Y60 HydrophobicContact CG2-CE1 3.84Å; T58-Y60 HydrophobicContact CG2-CE2 3.7Å; T58-Y60 VanDerWaalsContact CG2-CZ 3.42Å; T58-Y60 WeakPolarHBondContact O-CD2 3.34Å; T58-Y60 VanDerWaalsContact O-CE2 3.24Å; T58-Y60 WeakPolarHBondContact O-CE2 3.12Å
59	P	97.9	Very high	95.3	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	152.7	161.2	29.6	-40.7	0	0	0	112	S1 C2 F9 M14 W16 C76	S1-P59 CarbonylContact C-O 3.39Å; S1-P59 VanDerWaalsContact CA-O 3.27Å; S1-P59 WeakPolarHBondContact CA-O 3.2Å; C2-P59 HydrophobicContact CB-CG 4.1Å; C2-P59 PolarHBondContact N-O 3.13Å; C2-P59 WeakPolarHBondContact O-CD 3.34Å; C2-P59 WeakPolarHBondContact O-CG 3.37Å; F9-P59 HydrophobicContact CE2-CG 4.33Å; F9-P59 VanDerWaalsContact CZ-CD 3.46Å; M14-P59 HydrophobicContact CB-CB 4.31Å; M14-P59 HydrophobicContact CE-CG 4.34Å; W16-P59 HydrophobicContact CZ2-CB 4.03Å; W16-P59 HydrophobicContact CZ2-CG 4.19Å; P59-C76 HydrophobicContact CG-CB 4.41Å
60	Y	98.3	Very high	95.2	Very high	72 Å²	72	63.1 Å²	63.1	28%	0.282	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.5	176.1	-59.1	-91	0	0	0	109.9	S1 W16 S51 D53 T58	S1-Y60 VanDerWaalsContact CB-CD1 3.49Å; S1-Y60 VanDerWaalsContact CB-CE1 3.5Å; W16-Y60 PolarHBondContact NE1-O 3.08Å; S51-Y60 PolarHBondContact N-O 2.87Å; S51-Y60 VanDerWaalsContact N-O 3.07Å; S51-Y60 PolarHBondContact O-N 3.08Å; D53-Y60 HydrophobicContact CB-CE2 3.78Å; T58-Y60 HydrophobicContact CG2-CD1 4.43Å; T58-Y60 HydrophobicContact CG2-CD2 4.31Å; T58-Y60 HydrophobicContact CG2-CE1 3.84Å; T58-Y60 HydrophobicContact CG2-CE2 3.7Å; T58-Y60 VanDerWaalsContact CG2-CZ 3.42Å; T58-Y60 WeakPolarHBondContact O-CD2 3.34Å; T58-Y60 VanDerWaalsContact O-CE2 3.24Å; T58-Y60 WeakPolarHBondContact O-CE2 3.12Å
61	L	98	Very high	95.1	Very high	28 Å²	28	64.6 Å²	64.6	15%	0.147	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	114.9	170.2	-174	71.6	0	0	0	105.8	W16 I28 F48 I50 Y74	W16-L61 HydrophobicContact CB-CD1 4.15Å; W16-L61 HydrophobicContact CB-CD2 4.3Å; W16-L61 HydrophobicContact CD2-CB 3.68Å; W16-L61 HydrophobicContact CD2-CD1 4.35Å; W16-L61 HydrophobicContact CD2-CD2 4.04Å; W16-L61 HydrophobicContact CD2-CG 4.25Å; W16-L61 HydrophobicContact CE3-CB 4.06Å; W16-L61 HydrophobicContact CE3-CD2 3.96Å; W16-L61 HydrophobicContact CG-CB 4.1Å; W16-L61 HydrophobicContact CG-CD1 3.9Å; W16-L61 HydrophobicContact CG-CD2 4.18Å; W16-L61 HydrophobicContact CG-CG 4.3Å; W16-L61 HydrophobicContact CH2-CB 4.24Å; W16-L61 HydrophobicContact CZ2-CB 3.87Å; W16-L61 HydrophobicContact CZ3-CB 4.32Å; I28-L61 HydrophobicContact CD1-CD2 3.77Å; I28-L61 HydrophobicContact CG2-CD1 4.18Å; F48-L61 HydrophobicContact CB-CD1 3.75Å; F48-L61 HydrophobicContact CB-CG 4.48Å; F48-L61 HydrophobicContact CD1-CD1 4.01Å; F48-L61 HydrophobicContact CD1-CD2 3.94Å; F48-L61 HydrophobicContact CD1-CG 3.91Å; F48-L61 HydrophobicContact CE1-CD2 4.34Å; F48-L61 HydrophobicContact CG-CD1 4.14Å; I50-L61 HydrophobicContact CD1-CD1 4.5Å; I50-L61 HydrophobicContact CG1-CD1 3.68Å; L61-Y74 HydrophobicContact CD2-CD1 3.68Å; L61-Y74 HydrophobicContact CD2-CE1 4.04Å
62	Q	97.3	Very high	95.1	Very high	114 Å²	114	62.4 Å²	62.4	53%	0.533	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.4	175.5	174.7	178.2	-11.9	0	0	108.3	F48 I49	F48-Q62 CarbonylContact C-O 3.57Å; F48-Q62 WeakPolarHBondContact CA-O 3.27Å; I49-Q62 HydrophobicContact CB-CB 4.23Å; I49-Q62 PolarHBondContact N-O 2.85Å; I49-Q62 PolarHBondContact O-N 2.78Å
63	M	94.6	Very high	95.1	Very high	46 Å²	46	64.3 Å²	64.3	23%	0.227	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.3	175	-53.3	177.4	65.8	0	0	107.7	F48 V66 D70 Y74 V94	F48-M63 HydrophobicContact CD1-CB 4.47Å; F48-M63 HydrophobicContact CD1-CG 3.92Å; F48-M63 HydrophobicContact CE1-CB 4.41Å; F48-M63 HydrophobicContact CE1-CE 4.03Å; F48-M63 HydrophobicContact CE1-CG 3.74Å; F48-M63 HydrophobicContact CE1-SD 4.45Å; M63-V66 HydrophobicContact CB-CG2 4.1Å; M63-D70 HydrophobicContact CE-CB 3.52Å; M63-Y74 WeakPolarHBondContact CE-OH 3.4Å; M63-V94 HydrophobicContact CE-CG1 4.48Å; M63-V94 HydrophobicContact SD-CG1 4.36Å
64	T	90.9	Very high	95.1	Very high	63 Å²	63	62.8 Å²	62.8	39%	0.387	33%	0.326	S	S	.	.	S	Bend	trans	-87.2	-37	-174.7	62	0	0	0	0	112	D46 E47 I49	D46-T64 PolarHBondContact O-OG1 2.8Å; E47-T64 PolarHBondContact O-N 3.31Å; E47-T64 PolarHBondContact O-OG1 3.26Å; I49-T64 HydrophobicContact CD1-CG2 3.52Å; I49-T64 HydrophobicContact CG1-CG2 3.63Å
65	K	85.8	Confident	95.2	Very high	117 Å²	117	61.6 Å²	61.6	51%	0.509	32%	0.317	S	S	.	.	S	Bend	trans	-125.9	126.8	173.7	-63.1	175.9	-173	168.1	0	106.1
66	V	89.6	Confident	95.2	Very high	88 Å²	88	57.5 Å²	57.5	53%	0.533	28%	0.283	S	S	.	.			trans	-107.9	118.1	-179.5	-176.7	0	0	0	0	107.2	M63 V96	M63-V66 HydrophobicContact CB-CG2 4.1Å; V66-V96 HydrophobicContact CG1-CB 4.23Å; V66-V96 HydrophobicContact CG1-CG1 3.73Å; V66-V96 HydrophobicContact CG1-CG2 3.41Å; V66-V96 VanDerWaalsContact CG1-CG2 3.41Å
67	R	92.4	Very high	95.2	Very high	119 Å²	119	51.4 Å²	51.4	45%	0.449	26%	0.257	S	S	.	.			trans	-127.9	164.7	179.5	-57	177.3	177.3	163.9	-2.1	110.7	E69 D70 V96	R67-E69 WeakPolarHBondContact CB-OE2 3.35Å; R67-E69 VanDerWaalsContact CD-OE2 3.3Å; R67-E69 WeakPolarHBondContact CD-OE2 3.13Å; R67-E69 PolarHBondContact O-N 3.03Å; R67-E69 VanDerWaalsContact O-N 3.17Å; R67-D70 PolarHBondContact N-OD2 3.1Å; R67-D70 WeakPolarHBondContact O-CB 3.34Å; R67-D70 PolarHBondContact O-N 3.09Å; R67-V96 WeakPolarHBondContact O-CB 3.24Å; R67-V96 WeakPolarHBondContact O-CG1 3.24Å
68	S	92.8	Very high	95.1	Very high	63 Å²	63	49.2 Å²	49.2	44%	0.441	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-56.5	-31.3	176.9	50.4	0	0	0	0	112.2	D70 T71	S68-D70 PolarHBondContact O-N 3.11Å; S68-T71 WeakPolarHBondContact O-CB 3.33Å; S68-T71 PolarHBondContact O-N 3.27Å; S68-T71 PolarHBondContact O-OG1 3.1Å; S68-T71 VanDerWaalsContact O-OG1 3.13Å
69	E	90.9	Very high	94.6	Very high	127 Å²	127	49.7 Å²	49.7	59%	0.593	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-65	-18.3	176.4	-56.6	91.1	-159.6	0	0	113.9	R67 T71	R67-E69 WeakPolarHBondContact CB-OE2 3.35Å; R67-E69 VanDerWaalsContact CD-OE2 3.3Å; R67-E69 WeakPolarHBondContact CD-OE2 3.13Å; R67-E69 PolarHBondContact O-N 3.03Å; R67-E69 VanDerWaalsContact O-N 3.17Å; E69-T71 PolarHBondContact O-N 3.39Å
70	D	93.6	Very high	93.8	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.011	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-82.4	2.6	177.4	-63.3	-52.6	0	0	0	113.4	R18 M63 R67 S68 A72 Y74 V96	R18-D70 IonicContact NH1-OD1 3.04Å; R18-D70 PolarHBondContact NH1-OD1 2.82Å; M63-D70 HydrophobicContact CE-CB 3.52Å; R67-D70 PolarHBondContact N-OD2 3.1Å; R67-D70 WeakPolarHBondContact O-CB 3.34Å; R67-D70 PolarHBondContact O-N 3.09Å; S68-D70 PolarHBondContact O-N 3.11Å; D70-A72 PolarHBondContact O-N 3.19Å; D70-Y74 WeakPolarHBondContact O-CE2 3.31Å; D70-Y74 PolarHBondContact O-OH 2.91Å; D70-V96 HydrophobicContact CB-CG2 4.43Å
71	T	96.6	Very high	92.7	Very high	34 Å²	34	57.6 Å²	57.6	21%	0.209	30%	0.295	C	S	.	.			trans	-65.4	107.5	173.3	-64.8	0	0	0	0	109.9	P21 S68 E69 V94 T95 V96	P21-T71 WeakPolarHBondContact CD-O 3.44Å; P21-T71 HydrophobicContact CG-CG2 4.46Å; S68-T71 WeakPolarHBondContact O-CB 3.33Å; S68-T71 PolarHBondContact O-N 3.27Å; S68-T71 PolarHBondContact O-OG1 3.1Å; S68-T71 VanDerWaalsContact O-OG1 3.13Å; E69-T71 PolarHBondContact O-N 3.39Å; T71-V94 WeakPolarHBondContact CA-O 3.16Å; T71-T95 HydrophobicContact CG2-CG2 4.37Å; T71-V96 PolarHBondContact OG1-N 3.49Å; T71-V96 PolarHBondContact OG1-O 3.21Å
72	A	97.4	Very high	91.3	Very high	4 Å²	4	63.1 Å²	63.1	3%	0.033	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	167.2	-175.2	0	0	0	0	0	112.4	R18 Q19 A20 D70 Y74 V94	R18-A72 HydrophobicContact CB-CB 4.05Å; Q19-A72 WeakPolarHBondContact O-CA 3.35Å; Q19-A72 WeakPolarHBondContact O-CB 3.21Å; A20-A72 HydrophobicContact CB-CB 4.47Å; D70-A72 PolarHBondContact O-N 3.19Å; A72-Y74 HydrophobicContact CB-CD2 4.23Å; A72-Y74 HydrophobicContact CB-CE2 3.73Å; A72-Y74 WeakPolarHBondContact O-CD2 3.49Å; A72-V94 PolarHBondContact N-O 2.99Å; A72-V94 VanDerWaalsContact N-O 3.08Å; A72-V94 PolarHBondContact O-N 2.97Å
73	L	98.1	Very high	89.9	Confident	65 Å²	65	68.3 Å²	68.3	34%	0.34	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.8	159.6	-74.4	163.5	0	0	0	109.2	R18 Q19 Y75 T92	R18-L73 CarbonylContact C-O 3.57Å; R18-L73 WeakPolarHBondContact CA-O 3.35Å; Q19-L73 HydrophobicContact CB-CB 4.49Å; Q19-L73 PolarHBondContact N-O 3.4Å; Q19-L73 PolarHBondContact O-N 3.41Å; L73-Y75 HydrophobicContact CB-CE2 3.58Å; L73-Y75 WeakPolarHBondContact CB-OH 3.17Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.44Å; L73-T92 CarbonylContact C-O 3.5Å; L73-T92 WeakPolarHBondContact CA-O 3.39Å
74	Y	98.3	Very high	89.2	Confident	10 Å²	10	68.8 Å²	68.8	4%	0.039	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.8	-179.9	-72.6	-99.4	0	0	0	110.8	R18 I28 F48 L61 M63 D70 A72 G91 T92 V94	R18-Y74 HydrophobicContact CB-CD1 3.9Å; R18-Y74 HydrophobicContact CB-CE1 3.87Å; R18-Y74 HydrophobicContact CB-CG 4.33Å; I28-Y74 HydrophobicContact CD1-CD1 3.81Å; I28-Y74 HydrophobicContact CD1-CE1 3.74Å; F48-Y74 AromaticContact CE1-CE1 3.76Å; F48-Y74 HydrophobicContact CE1-CE1 3.76Å; F48-Y74 HydrophobicContact CZ-CE1 4.12Å; L61-Y74 HydrophobicContact CD2-CD1 3.68Å; L61-Y74 HydrophobicContact CD2-CE1 4.04Å; M63-Y74 WeakPolarHBondContact CE-OH 3.4Å; D70-Y74 WeakPolarHBondContact O-CE2 3.31Å; D70-Y74 PolarHBondContact O-OH 2.91Å; A72-Y74 HydrophobicContact CB-CD2 4.23Å; A72-Y74 HydrophobicContact CB-CE2 3.73Å; A72-Y74 WeakPolarHBondContact O-CD2 3.49Å; Y74-G91 CarbonylContact O-C 3.55Å; Y74-G91 VanDerWaalsContact O-CA 3.24Å; Y74-G91 WeakPolarHBondContact O-CA 3.29Å; Y74-T92 PolarHBondContact N-O 2.94Å; Y74-T92 PolarHBondContact O-N 2.73Å; Y74-V94 HydrophobicContact CD2-CB 3.95Å; Y74-V94 HydrophobicContact CD2-CG2 3.69Å; Y74-V94 HydrophobicContact CE2-CB 3.81Å; Y74-V94 HydrophobicContact CE2-CG2 3.97Å
75	Y	98.1	Very high	89	Confident	36 Å²	36	68.3 Å²	68.3	14%	0.141	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.3	-176.5	-54.5	-91.3	0	0	0	110.2	W16 V17 Q19 L25 L73 W88 G91	W16-Y75 WeakPolarHBondContact CA-O 3.24Å; W16-Y75 VanDerWaalsContact CE3-O 3.28Å; V17-Y75 PolarHBondContact N-O 2.66Å; V17-Y75 PolarHBondContact O-N 3.29Å; Q19-Y75 HydrophobicContact CB-CE2 4.17Å; L25-Y75 HydrophobicContact CD2-CD2 4.37Å; L25-Y75 HydrophobicContact CD2-CE2 4.25Å; L73-Y75 HydrophobicContact CB-CE2 3.58Å; L73-Y75 WeakPolarHBondContact CB-OH 3.17Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.44Å; Y75-W88 HydrophobicContact CD1-CE3 4.41Å; Y75-W88 HydrophobicContact CG-CE3 4.18Å; Y75-W88 HydrophobicContact CG-CZ3 4.26Å; Y75-G91 VanDerWaalsContact CE1-CA 3.43Å
76	C	97.3	Very high	89.1	Confident	9 Å²	9	65.3 Å²	65.3	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	145	157.4	54.3	0	0	0	0	108.7	C2 S15 W16 P59 G89	C2-C76 HydrophobicContact CB-CB 3.39Å; C2-C76 WeakPolarHBondContact CB-SG 3.35Å; C2-C76 WeakPolarHBondContact SG-CB 3.25Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.23Å; S15-C76 CarbonylContact O-C 3.55Å; S15-C76 WeakPolarHBondContact O-CA 3.46Å; W16-C76 HydrophobicContact CE3-CB 4.3Å; W16-C76 HydrophobicContact CH2-CB 4.08Å; W16-C76 HydrophobicContact CZ2-CB 4.39Å; W16-C76 HydrophobicContact CZ3-CB 4.04Å; P59-C76 HydrophobicContact CG-CB 4.41Å; C76-G89 PolarHBondContact O-N 3.04Å
77	A	96.2	Very high	89.2	Confident	2 Å²	2	66.2 Å²	66.2	2%	0.017	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	153.4	177.3	0	0	0	0	0	111.6	M14 S15 M85 Y87 W88	M14-A77 WeakPolarHBondContact CE-O 3.41Å; S15-A77 PolarHBondContact N-O 2.8Å; S15-A77 PolarHBondContact O-N 2.8Å; A77-M85 HydrophobicContact CB-CB 4.15Å; A77-M85 HydrophobicContact CB-CG 3.97Å; A77-M85 HydrophobicContact CB-SD 3.46Å; A77-M85 WeakPolarHBondContact CB-SD 3.14Å; A77-Y87 CarbonylContact C-O 3.53Å; A77-Y87 WeakPolarHBondContact CA-O 3.17Å; A77-Y87 WeakPolarHBondContact CB-O 3.04Å; A77-W88 HydrophobicContact CB-CD2 4.01Å; A77-W88 HydrophobicContact CB-CE3 4.03Å; A77-W88 HydrophobicContact CB-CG 4.49Å; A77-W88 HydrophobicContact CB-CZ3 4.34Å
78	R	94.8	Very high	89.4	Confident	21 Å²	21	65.8 Å²	65.8	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.1	171.4	-168.4	-174.6	79.5	175.7	14.6	109.7	F7 Y12 M14 M85 D86 Y87	F7-R78 HydrophobicContact CE2-CG 4.34Å; F7-R78 HydrophobicContact CZ-CB 4.4Å; F7-R78 HydrophobicContact CZ-CG 4.44Å; Y12-R78 HydrophobicContact CD1-CG 4.34Å; Y12-R78 HydrophobicContact CG-CG 4.19Å; M14-R78 HydrophobicContact SD-CB 4.49Å; M14-R78 HydrophobicContact SD-CG 4.46Å; R78-M85 VanDerWaalsContact O-CA 3.26Å; R78-M85 WeakPolarHBondContact O-CA 3.39Å; R78-D86 IonicContact CZ-OD1 2.85Å; R78-D86 IonicContact CZ-OD2 3.3Å; R78-D86 IonicContact NE-OD1 3.29Å; R78-D86 PolarHBondContact NE-OD1 3.3Å; R78-D86 IonicContact NE-OD2 3.43Å; R78-D86 VanDerWaalsContact NH2-CG 3.26Å; R78-D86 IonicContact NH2-OD1 2.64Å; R78-D86 PolarHBondContact NH2-OD1 3.05Å; R78-D86 IonicContact NH2-OD2 3.7Å; R78-D86 PolarHBondContact NH2-OD2 2.6Å; R78-D86 PolarHBondContact O-N 3.22Å; R78-D86 VanDerWaalsContact O-N 3.1Å; R78-Y87 HydrophobicContact CB-CD2 4.48Å; R78-Y87 PolarHBondContact N-O 3.02Å
79	P	87.4	Confident	89.5	Confident	23 Å²	23	63.9 Å²	63.9	15%	0.149	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.9	171.3	-19	33.4	0	0	0	112.2	W13 S15	W13-P79 HydrophobicContact CB-CG 4.04Å; W13-P79 WeakPolarHBondContact O-CD 3.3Å; S15-P79 WeakPolarHBondContact OG-CG 3.44Å
80	R	81.8	Confident	89.8	Confident	177 Å²	177	66.9 Å²	66.9	67%	0.668	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	91.7	168	-168.8	-176.7	174.8	176.3	-1.7	109.3	A84 D86	R80-A84 PolarHBondContact N-O 3.47Å; R80-D86 HydrophobicContact CB-CB 3.85Å; R80-D86 WeakPolarHBondContact CD-OD2 3.4Å; R80-D86 HydrophobicContact CG-CB 4.34Å; R80-D86 WeakPolarHBondContact CG-OD2 3.38Å
81	G	74.8	Confident	89.9	Confident	61 Å²	61	68.1 Å²	68.1	63%	0.629	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	-152.3	-173.1	0	0	0	0	0	111.8
82	N	69.2	Low	90	Very high	144 Å²	144	70.7 Å²	70.7	77%	0.77	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.8	-165.3	-68.1	-6.7	0	0	0	115.9
83	Y	66.4	Low	90	Very high	224 Å²	224	74.5 Å²	74.5	88%	0.878	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	-1.3	-167.7	-55.7	-68.4	0	0	0	116.1
84	A	80.3	Confident	89.9	Confident	55 Å²	55	73.2 Å²	73.2	46%	0.455	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.7	-175.9	0	0	0	0	0	111.1	R80	R80-A84 PolarHBondContact N-O 3.47Å
85	M	87.4	Confident	89.8	Confident	53 Å²	53	78 Å²	78	26%	0.261	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.5	170.3	-69.4	166.3	-172.9	0	0	108.1	V17 A77 R78 W88	V17-M85 HydrophobicContact CG2-CE 3.68Å; V17-M85 HydrophobicContact CG2-SD 3.96Å; A77-M85 HydrophobicContact CB-CB 4.15Å; A77-M85 HydrophobicContact CB-CG 3.97Å; A77-M85 HydrophobicContact CB-SD 3.46Å; A77-M85 WeakPolarHBondContact CB-SD 3.14Å; R78-M85 VanDerWaalsContact O-CA 3.26Å; R78-M85 WeakPolarHBondContact O-CA 3.39Å; M85-W88 HydrophobicContact CB-CZ2 3.83Å; M85-W88 HydrophobicContact CG-CZ2 4.16Å; M85-W88 PolarHBondContact O-NE1 3.39Å; M85-W88 HydrophobicContact SD-CH2 3.44Å; M85-W88 WeakPolarHBondContact SD-CH2 3.23Å; M85-W88 HydrophobicContact SD-CZ2 3.21Å; M85-W88 WeakPolarHBondContact SD-CZ2 3.33Å; M85-W88 HydrophobicContact SD-CZ3 4.26Å
86	D	88.5	Confident	89.6	Confident	54 Å²	54	77.5 Å²	77.5	29%	0.289	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-14.2	-175.6	62.1	-9.8	0	0	0	114	R78 R80	R78-D86 IonicContact CZ-OD1 2.85Å; R78-D86 IonicContact CZ-OD2 3.3Å; R78-D86 IonicContact NE-OD1 3.29Å; R78-D86 PolarHBondContact NE-OD1 3.3Å; R78-D86 IonicContact NE-OD2 3.43Å; R78-D86 VanDerWaalsContact NH2-CG 3.26Å; R78-D86 IonicContact NH2-OD1 2.64Å; R78-D86 PolarHBondContact NH2-OD1 3.05Å; R78-D86 IonicContact NH2-OD2 3.7Å; R78-D86 PolarHBondContact NH2-OD2 2.6Å; R78-D86 PolarHBondContact O-N 3.22Å; R78-D86 VanDerWaalsContact O-N 3.1Å; R80-D86 HydrophobicContact CB-CB 3.85Å; R80-D86 WeakPolarHBondContact CD-OD2 3.4Å; R80-D86 HydrophobicContact CG-CB 4.34Å; R80-D86 WeakPolarHBondContact CG-OD2 3.38Å
87	Y	92.1	Very high	89.2	Confident	108 Å²	108	82.2 Å²	82.2	42%	0.424	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.2	169.9	-69.4	-101.3	0	0	0	110.4	F7 A77 R78	F7-Y87 HydrophobicContact CD1-CD1 4.42Å; F7-Y87 HydrophobicContact CE1-CG 4.42Å; A77-Y87 CarbonylContact C-O 3.53Å; A77-Y87 WeakPolarHBondContact CA-O 3.17Å; A77-Y87 WeakPolarHBondContact CB-O 3.04Å; R78-Y87 HydrophobicContact CB-CD2 4.48Å; R78-Y87 PolarHBondContact N-O 3.02Å
88	W	95.5	Very high	88.4	Confident	109 Å²	109	90.6 Å²	90.6	41%	0.413	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	137.4	177	-71.6	81.5	0	0	0	110.2	V17 L25 Y75 A77 M85	V17-W88 HydrophobicContact CB-CH2 4.21Å; V17-W88 HydrophobicContact CB-CZ3 3.92Å; V17-W88 HydrophobicContact CG1-CH2 4.09Å; V17-W88 HydrophobicContact CG1-CZ3 4.06Å; V17-W88 HydrophobicContact CG2-CH2 3.92Å; V17-W88 HydrophobicContact CG2-CZ3 3.98Å; L25-W88 HydrophobicContact CD1-CH2 3.94Å; L25-W88 HydrophobicContact CD2-CZ3 4.42Å; Y75-W88 HydrophobicContact CD1-CE3 4.41Å; Y75-W88 HydrophobicContact CG-CE3 4.18Å; Y75-W88 HydrophobicContact CG-CZ3 4.26Å; A77-W88 HydrophobicContact CB-CD2 4.01Å; A77-W88 HydrophobicContact CB-CE3 4.03Å; A77-W88 HydrophobicContact CB-CG 4.49Å; A77-W88 HydrophobicContact CB-CZ3 4.34Å; M85-W88 HydrophobicContact CB-CZ2 3.83Å; M85-W88 HydrophobicContact CG-CZ2 4.16Å; M85-W88 PolarHBondContact O-NE1 3.39Å; M85-W88 HydrophobicContact SD-CH2 3.44Å; M85-W88 WeakPolarHBondContact SD-CH2 3.23Å; M85-W88 HydrophobicContact SD-CZ2 3.21Å; M85-W88 WeakPolarHBondContact SD-CZ2 3.33Å; M85-W88 HydrophobicContact SD-CZ3 4.26Å
89	G	95.9	Very high	88.1	Confident	24 Å²	24	94.1 Å²	94.1	25%	0.247	53%	0.527	C	S	.	.			trans	-67.7	162	163.8	0	0	0	0	0	111.1	C76 G91	C76-G89 PolarHBondContact O-N 3.04Å; G89-G91 PolarHBondContact O-N 3.13Å; G89-G91 VanDerWaalsContact O-N 3.11Å
90	Q	95.7	Very high	88.2	Confident	190 Å²	190	97.8 Å²	97.8	89%	0.888	55%	0.547	S	S	*	.			trans	-63.9	-16.2	178.5	-64.8	-62	-44.1	0	0	113.5
91	G	96.5	Very high	88.5	Confident	28 Å²	28	93.4 Å²	93.4	29%	0.289	54%	0.541	S	S	.	.			trans	86.9	150.5	-174	0	0	0	0	0	112.1	Y74 Y75 G89	Y74-G91 CarbonylContact O-C 3.55Å; Y74-G91 VanDerWaalsContact O-CA 3.24Å; Y74-G91 WeakPolarHBondContact O-CA 3.29Å; Y75-G91 VanDerWaalsContact CE1-CA 3.43Å; G89-G91 PolarHBondContact O-N 3.13Å; G89-G91 VanDerWaalsContact O-N 3.11Å
92	T	97.8	Very high	89.3	Confident	87 Å²	87	95.4 Å²	95.4	53%	0.534	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.8	171.8	-122.7	0	0	0	0	109	L73 Y74 V94	L73-T92 CarbonylContact C-O 3.5Å; L73-T92 WeakPolarHBondContact CA-O 3.39Å; Y74-T92 PolarHBondContact N-O 2.94Å; Y74-T92 PolarHBondContact O-N 2.73Å; T92-V94 HydrophobicContact CG2-CG2 3.95Å
93	S	97.5	Very high	90.6	Very high	84 Å²	84	92.3 Å²	92.3	59%	0.587	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.6	173.9	-175.9	0	0	0	0	109.5
94	V	96.6	Very high	92.2	Very high	38 Å²	38	83.5 Å²	83.5	23%	0.23	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125	168.3	179.6	0	0	0	0	106.8	M63 T71 A72 Y74 T92 V96	M63-V94 HydrophobicContact CE-CG1 4.48Å; M63-V94 HydrophobicContact SD-CG1 4.36Å; T71-V94 WeakPolarHBondContact CA-O 3.16Å; A72-V94 PolarHBondContact N-O 2.99Å; A72-V94 VanDerWaalsContact N-O 3.08Å; A72-V94 PolarHBondContact O-N 2.97Å; Y74-V94 HydrophobicContact CD2-CB 3.95Å; Y74-V94 HydrophobicContact CD2-CG2 3.69Å; Y74-V94 HydrophobicContact CE2-CB 3.81Å; Y74-V94 HydrophobicContact CE2-CG2 3.97Å; T92-V94 HydrophobicContact CG2-CG2 3.95Å; V94-V96 HydrophobicContact CG1-CG2 4.21Å
95	T	96.3	Very high	93.1	Very high	110 Å²	110	85.6 Å²	85.6	68%	0.675	50%	0.5	S	S	*	.			trans	-118.1	127.8	176.2	-58.1	0	0	0	0	108.6	T71	T71-T95 HydrophobicContact CG2-CG2 4.37Å
96	V	94	Very high	93.5	Very high	27 Å²	27	88.1 Å²	88.1	16%	0.164	52%	0.518	C	S	.	.			trans	-120.9	118.5	178.7	-174.9	0	0	0	0	108.2	V66 R67 D70 T71 V94	V66-V96 HydrophobicContact CG1-CB 4.23Å; V66-V96 HydrophobicContact CG1-CG1 3.73Å; V66-V96 HydrophobicContact CG1-CG2 3.41Å; V66-V96 VanDerWaalsContact CG1-CG2 3.41Å; R67-V96 WeakPolarHBondContact O-CB 3.24Å; R67-V96 WeakPolarHBondContact O-CG1 3.24Å; D70-V96 HydrophobicContact CB-CG2 4.43Å; T71-V96 PolarHBondContact OG1-N 3.49Å; T71-V96 PolarHBondContact OG1-O 3.21Å; V94-V96 HydrophobicContact CG1-CG2 4.21Å
97	S	89.4	Confident	93.9	Very high	107 Å²	107	90.9 Å²	90.9	75%	0.748	54%	0.538	S	S	*	.			trans	-101	148.2	172.3	56.4	0	0	0	0	110.5
98	S	79.7	Confident	94.1	Very high	179 Å²	179	89.4 Å²	89.4	100%	1.252	55%	0.548	S	S	*	.			trans	-70.5	0	172.2	57.6	0	0	0	0	113.1

Retrieved 98 of 98 residues in 22 ms (Link to these results)

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