X5J5L6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5L6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 98 aa.

						>X5J5L6_MOUSE|X5J5L6
SCAASGFDFSRYWMSWVRQAPGKGLEWIGEINPDSSTINYSPSLKDEFIISRDNAKNTLYLQMTKVRSEDTALYYCARPRGNYAMDYWGQGTSVTVSS
					

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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	Very high	94.9	Very high	106 Å²	106	68.2 Å²	68.2	74%	0.741	44%	0.436	S	S	*	.				0	168.4	0	51.5	0	0	0	0	109.2	L59	S1-L59 CarbonylContact C-O 3.4Å; S1-L59 WeakPolarHBondContact CA-O 3.19Å
2	C	97.6	Very high	94.9	Very high	20 Å²	20	70.2 Å²	70.2	14%	0.135	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	116.9	175.9	163.8	0	0	0	0	109.6	W16 T58 L59 C76	C2-W16 HydrophobicContact CB-CH2 3.73Å; C2-W16 HydrophobicContact CB-CZ2 3.96Å; C2-T58 CarbonylContact O-C 3.5Å; C2-T58 WeakPolarHBondContact O-CA 2.98Å; C2-L59 HydrophobicContact CB-CB 4.49Å; C2-L59 PolarHBondContact N-O 3.12Å; C2-L59 PolarHBondContact O-N 3.06Å; C2-C76 HydrophobicContact CB-CB 3.36Å; C2-C76 WeakPolarHBondContact CB-SG 3.3Å; C2-C76 WeakPolarHBondContact SG-CB 3.38Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.16Å
3	A	97.3	Very high	95	Very high	79 Å²	79	71.5 Å²	71.5	65%	0.653	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.7	173.7	0	0	0	0	0	109.6
4	A	95.3	Very high	95.1	Very high	18 Å²	18	66.7 Å²	66.7	15%	0.149	39%	0.393	C	S	.	.			trans	-92.7	146.8	178.2	0	0	0	0	0	111.3	F7 F9 N57	A4-F7 HydrophobicContact CB-CE1 4.08Å; A4-F7 HydrophobicContact CB-CE2 4.42Å; A4-F7 HydrophobicContact CB-CZ 3.73Å; A4-F9 HydrophobicContact CB-CB 4.3Å; A4-F9 HydrophobicContact CB-CD2 3.47Å; A4-F9 VanDerWaalsContact CB-CD2 3.47Å; A4-F9 HydrophobicContact CB-CE2 4.15Å; A4-F9 HydrophobicContact CB-CG 4.24Å; A4-N57 PolarHBondContact N-O 2.96Å
5	S	94.1	Very high	95.2	Very high	103 Å²	103	62.3 Å²	62.3	72%	0.72	37%	0.367	S	S	*	.			trans	-146.2	160.9	173.5	61.1	0	0	0	0	110.1	F7	S5-F7 WeakPolarHBondContact O-CD1 3.47Å
6	G	92.3	Very high	95.4	Very high	78 Å²	78	58.8 Å²	58.8	80%	0.804	35%	0.346	S	S	*	.	S	Bend	trans	84.6	-0	178.7	0	0	0	0	0	115.6
7	F	91.6	Very high	95.5	Very high	38 Å²	38	55.6 Å²	55.6	17%	0.167	33%	0.327	C	S	.	.	S	Bend	trans	-154.6	165.1	172.6	62.3	-85.7	0	0	0	111.2	A4 S5 F9 Y12 M14 R78 Y87	A4-F7 HydrophobicContact CB-CE1 4.08Å; A4-F7 HydrophobicContact CB-CE2 4.42Å; A4-F7 HydrophobicContact CB-CZ 3.73Å; S5-F7 WeakPolarHBondContact O-CD1 3.47Å; F7-F9 HydrophobicContact CE2-CB 4.36Å; F7-F9 HydrophobicContact CE2-CD2 4.41Å; F7-F9 PolarHBondContact O-N 3.27Å; F7-Y12 HydrophobicContact CB-CE2 4.46Å; F7-Y12 AromaticContact CD2-CD2 3.64Å; F7-Y12 HydrophobicContact CD2-CD2 3.64Å; F7-Y12 HydrophobicContact CD2-CE2 4.06Å; F7-Y12 HydrophobicContact CD2-CG 4.48Å; F7-Y12 HydrophobicContact CE2-CD2 4.18Å; F7-M14 HydrophobicContact CE2-SD 4Å; F7-M14 HydrophobicContact CZ-CE 4.23Å; F7-M14 HydrophobicContact CZ-SD 4.01Å; F7-R78 HydrophobicContact CE2-CG 4.39Å; F7-R78 HydrophobicContact CZ-CB 4.45Å; F7-R78 HydrophobicContact CZ-CG 4.5Å; F7-Y87 HydrophobicContact CE1-CG 4.49Å
8	D	94.2	Very high	95.5	Very high	78 Å²	78	53.8 Å²	53.8	42%	0.417	31%	0.314	S	S	.	.			trans	-75.8	89.9	174.5	-175.9	-6.4	0	0	0	110.6	S10 R11 Y12	D8-S10 PolarHBondContact O-N 2.97Å; D8-S10 VanDerWaalsContact O-N 3.09Å; D8-S10 WeakPolarHBondContact OD1-CB 3.29Å; D8-S10 PolarHBondContact OD1-N 3.32Å; D8-S10 PolarHBondContact OD1-OG 3.24Å; D8-R11 HydrophobicContact CB-CG 4.31Å; D8-R11 PolarHBondContact O-N 2.92Å; D8-R11 VanDerWaalsContact O-N 3.08Å; D8-R11 WeakPolarHBondContact OD2-CD 3.34Å; D8-R11 VanDerWaalsContact OD2-CG 3.27Å; D8-R11 WeakPolarHBondContact OD2-CG 3.45Å; D8-Y12 WeakPolarHBondContact O-CD2 3.34Å
9	F	95.2	Very high	95.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-49.3	-36.8	-178.9	177.3	-97.9	0	0	0	112.9	A4 F7 R11 Y12 M14 R52 N54 N57 L59	A4-F9 HydrophobicContact CB-CB 4.3Å; A4-F9 HydrophobicContact CB-CD2 3.47Å; A4-F9 VanDerWaalsContact CB-CD2 3.47Å; A4-F9 HydrophobicContact CB-CE2 4.15Å; A4-F9 HydrophobicContact CB-CG 4.24Å; F7-F9 HydrophobicContact CE2-CB 4.36Å; F7-F9 HydrophobicContact CE2-CD2 4.41Å; F7-F9 PolarHBondContact O-N 3.27Å; F9-R11 PolarHBondContact O-N 3.08Å; F9-R11 VanDerWaalsContact O-N 3.13Å; F9-Y12 PolarHBondContact O-N 3.05Å; F9-M14 HydrophobicContact CD2-CE 4.31Å; F9-M14 HydrophobicContact CD2-CG 3.97Å; F9-M14 HydrophobicContact CD2-SD 3.95Å; F9-M14 HydrophobicContact CE2-CB 4.45Å; F9-M14 HydrophobicContact CE2-CE 4.03Å; F9-M14 HydrophobicContact CE2-CG 3.49Å; F9-M14 VanDerWaalsContact CE2-CG 3.49Å; F9-M14 HydrophobicContact CE2-SD 3.94Å; F9-M14 HydrophobicContact CZ-CG 4.07Å; F9-R52 VanDerWaalsContact CD1-NH2 3.27Å; F9-R52 HydrophobicContact CE1-CB 4.19Å; F9-R52 HydrophobicContact CZ-CB 4.13Å; F9-R52 PolarHBondContact O-NH2 3.19Å; F9-N54 WeakPolarHBondContact CE1-OD1 3.41Å; F9-N57 HydrophobicContact CB-CB 3.89Å; F9-N57 WeakPolarHBondContact CB-OD1 3.31Å; F9-N57 HydrophobicContact CD1-CB 4.37Å; F9-N57 HydrophobicContact CG-CB 4.14Å; F9-L59 HydrophobicContact CE2-CB 4.23Å; F9-L59 HydrophobicContact CZ-CB 4.14Å
10	S	95.4	Very high	95.6	Very high	43 Å²	43	52.7 Å²	52.7	30%	0.301	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-65.7	-15.8	-175.9	76.9	0	0	0	0	114.1	D8 P33	D8-S10 PolarHBondContact O-N 2.97Å; D8-S10 VanDerWaalsContact O-N 3.09Å; D8-S10 WeakPolarHBondContact OD1-CB 3.29Å; D8-S10 PolarHBondContact OD1-N 3.32Å; D8-S10 PolarHBondContact OD1-OG 3.24Å; S10-P33 VanDerWaalsContact O-CB 3.31Å; S10-P33 WeakPolarHBondContact O-CB 3.41Å
11	R	94.4	Very high	95.6	Very high	187 Å²	187	55 Å²	55	71%	0.706	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-100	-6.7	-176.9	-59.9	-173.2	85.8	173.9	9.8	114.2	D8 F9	D8-R11 HydrophobicContact CB-CG 4.31Å; D8-R11 PolarHBondContact O-N 2.92Å; D8-R11 VanDerWaalsContact O-N 3.08Å; D8-R11 WeakPolarHBondContact OD2-CD 3.34Å; D8-R11 VanDerWaalsContact OD2-CG 3.27Å; D8-R11 WeakPolarHBondContact OD2-CG 3.45Å; F9-R11 PolarHBondContact O-N 3.08Å; F9-R11 VanDerWaalsContact O-N 3.13Å
12	Y	94.5	Very high	95.5	Very high	92 Å²	92	54.3 Å²	54.3	36%	0.361	33%	0.332	S	S	.	.	S	Bend	trans	-115.9	149.3	-175.1	-62	-83.1	0	0	0	112.3	F7 D8 F9 R52 R78	F7-Y12 HydrophobicContact CB-CE2 4.46Å; F7-Y12 AromaticContact CD2-CD2 3.64Å; F7-Y12 HydrophobicContact CD2-CD2 3.64Å; F7-Y12 HydrophobicContact CD2-CE2 4.06Å; F7-Y12 HydrophobicContact CD2-CG 4.48Å; F7-Y12 HydrophobicContact CE2-CD2 4.18Å; D8-Y12 WeakPolarHBondContact O-CD2 3.34Å; F9-Y12 PolarHBondContact O-N 3.05Å; Y12-R52 PolarHBondContact O-NH1 2.78Å; Y12-R78 HydrophobicContact CD1-CG 4.46Å; Y12-R78 HydrophobicContact CG-CG 4.26Å
13	W	95.8	Very high	95.4	Very high	87 Å²	87	59.6 Å²	59.6	33%	0.33	35%	0.352	S	S	.	.			trans	-63.5	153.3	159.4	-72.1	68.8	0	0	0	109.3	E30 I31 N32 T37 P79	W13-E30 HydrophobicContact CE3-CB 4.22Å; W13-E30 VanDerWaalsContact CE3-CD 3.47Å; W13-E30 HydrophobicContact CE3-CG 3.49Å; W13-E30 VanDerWaalsContact CE3-CG 3.49Å; W13-E30 HydrophobicContact CZ3-CG 3.65Å; W13-I31 WeakPolarHBondContact CA-O 3.36Å; W13-N32 HydrophobicContact CD2-CB 3.65Å; W13-N32 HydrophobicContact CE3-CB 3.85Å; W13-N32 HydrophobicContact CG-CB 4.39Å; W13-N32 HydrophobicContact CH2-CB 3.65Å; W13-N32 HydrophobicContact CZ2-CB 3.38Å; W13-N32 HydrophobicContact CZ3-CB 3.85Å; W13-T37 HydrophobicContact CH2-CG2 3.87Å; W13-T37 HydrophobicContact CZ3-CG2 4.46Å; W13-P79 HydrophobicContact CB-CG 4.12Å; W13-P79 WeakPolarHBondContact O-CD 3.35Å
14	M	96.9	Very high	95.2	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.025	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	136.5	179.6	-64.6	-62.3	-52.7	0	0	109.3	F7 F9 E30 I31 L59 R78	F7-M14 HydrophobicContact CE2-SD 4Å; F7-M14 HydrophobicContact CZ-CE 4.23Å; F7-M14 HydrophobicContact CZ-SD 4.01Å; F9-M14 HydrophobicContact CD2-CE 4.31Å; F9-M14 HydrophobicContact CD2-CG 3.97Å; F9-M14 HydrophobicContact CD2-SD 3.95Å; F9-M14 HydrophobicContact CE2-CB 4.45Å; F9-M14 HydrophobicContact CE2-CE 4.03Å; F9-M14 HydrophobicContact CE2-CG 3.49Å; F9-M14 VanDerWaalsContact CE2-CG 3.49Å; F9-M14 HydrophobicContact CE2-SD 3.94Å; F9-M14 HydrophobicContact CZ-CG 4.07Å; M14-E30 CarbonylContact O-C 3.6Å; M14-E30 WeakPolarHBondContact O-CA 3.42Å; M14-E30 WeakPolarHBondContact O-CB 3.34Å; M14-I31 HydrophobicContact CB-CG2 4.43Å; M14-I31 PolarHBondContact N-O 3.12Å; M14-I31 PolarHBondContact O-N 3.42Å; M14-L59 HydrophobicContact CB-CD1 3.78Å; M14-L59 HydrophobicContact CB-CD2 3.88Å; M14-L59 HydrophobicContact CB-CG 4.35Å; M14-R78 HydrophobicContact CE-CB 4.48Å; M14-R78 HydrophobicContact SD-CB 4.19Å; M14-R78 HydrophobicContact SD-CG 4.13Å
15	S	96.8	Very high	95.2	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	156	-175.5	-51.6	0	0	0	0	112.3	G29 E30 C76 A77 P79	S15-G29 CarbonylContact C-O 3.53Å; S15-G29 VanDerWaalsContact CA-O 3.23Å; S15-G29 WeakPolarHBondContact CA-O 2.99Å; S15-G29 WeakPolarHBondContact CB-O 2.98Å; S15-E30 WeakPolarHBondContact OG-CB 3.23Å; S15-C76 CarbonylContact O-C 3.55Å; S15-C76 WeakPolarHBondContact O-CA 3.41Å; S15-A77 PolarHBondContact N-O 2.63Å; S15-A77 PolarHBondContact O-N 2.95Å; S15-P79 VanDerWaalsContact OG-CG 3.31Å; S15-P79 WeakPolarHBondContact OG-CG 3.44Å
16	W	97.7	Very high	95.3	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.027	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	139.7	162.1	-77.4	102.6	0	0	0	110.4	C2 I28 G29 L59 Y60 L61 Y75 C76	C2-W16 HydrophobicContact CB-CH2 3.73Å; C2-W16 HydrophobicContact CB-CZ2 3.96Å; W16-I28 HydrophobicContact CB-CB 4.06Å; W16-I28 HydrophobicContact CB-CD1 3.99Å; W16-I28 WeakPolarHBondContact O-CB 3.15Å; W16-I28 PolarHBondContact O-N 3.25Å; W16-G29 PolarHBondContact N-O 3.19Å; W16-G29 PolarHBondContact O-N 2.78Å; W16-L59 HydrophobicContact CD2-CD2 4.24Å; W16-L59 HydrophobicContact CG-CD2 4.23Å; W16-L59 HydrophobicContact CZ2-CB 4.5Å; W16-L59 HydrophobicContact CZ2-CD2 4.14Å; W16-L59 HydrophobicContact CZ2-CG 4.26Å; W16-L59 VanDerWaalsContact NE1-CG 3.32Å; W16-Y60 PolarHBondContact NE1-O 2.82Å; W16-Y60 VanDerWaalsContact NE1-O 3.09Å; W16-L61 HydrophobicContact CB-CD1 4.18Å; W16-L61 HydrophobicContact CB-CD2 4.37Å; W16-L61 HydrophobicContact CD2-CB 3.83Å; W16-L61 HydrophobicContact CD2-CD1 4.47Å; W16-L61 HydrophobicContact CD2-CD2 4.03Å; W16-L61 HydrophobicContact CD2-CG 4.35Å; W16-L61 HydrophobicContact CE3-CB 4.44Å; W16-L61 HydrophobicContact CE3-CD2 4.16Å; W16-L61 HydrophobicContact CG-CB 4.1Å; W16-L61 HydrophobicContact CG-CD1 3.89Å; W16-L61 HydrophobicContact CG-CD2 4.11Å; W16-L61 HydrophobicContact CG-CG 4.27Å; W16-L61 HydrophobicContact CZ2-CB 3.97Å; W16-Y75 CarbonylContact C-O 3.54Å; W16-Y75 WeakPolarHBondContact CA-O 3.4Å; W16-Y75 VanDerWaalsContact CE3-C 3.44Å; W16-C76 HydrophobicContact CE3-CB 4.32Å; W16-C76 HydrophobicContact CH2-CB 4.09Å; W16-C76 HydrophobicContact CZ2-CB 4.32Å; W16-C76 HydrophobicContact CZ3-CB 4.1Å
17	V	96.9	Very high	95.4	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.024	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.9	177.1	-176.9	0	0	0	0	107.4	L25 E26 Y75 M85 W88	V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 3.82Å; V17-L25 HydrophobicContact CG1-CG 4.4Å; V17-E26 CarbonylContact C-O 3.58Å; V17-E26 WeakPolarHBondContact CA-O 3.41Å; V17-E26 WeakPolarHBondContact CG1-O 3.38Å; V17-Y75 PolarHBondContact N-O 3.12Å; V17-Y75 PolarHBondContact O-N 3.39Å; V17-M85 HydrophobicContact CG2-CE 3.62Å; V17-M85 HydrophobicContact CG2-SD 3.89Å; V17-W88 HydrophobicContact CB-CH2 4.15Å; V17-W88 HydrophobicContact CB-CZ3 3.85Å; V17-W88 HydrophobicContact CG1-CH2 4.03Å; V17-W88 HydrophobicContact CG1-CZ3 4.01Å; V17-W88 HydrophobicContact CG2-CH2 3.87Å; V17-W88 HydrophobicContact CG2-CZ3 3.93Å
18	R	96.6	Very high	95.6	Very high	23 Å²	23	58.8 Å²	58.8	9%	0.087	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	159	170.9	69.4	179.2	-168.1	-177.7	2.6	112	E26 I28 D70 A72 L73 Y74	R18-E26 HydrophobicContact CG-CB 4.02Å; R18-E26 IonicContact CZ-OE2 3.22Å; R18-E26 PolarHBondContact N-O 3.48Å; R18-E26 IonicContact NE-OE2 3.07Å; R18-E26 PolarHBondContact NE-OE2 2.88Å; R18-E26 IonicContact NH2-OE2 3.61Å; R18-E26 PolarHBondContact NH2-OE2 3.18Å; R18-E26 PolarHBondContact O-N 3.22Å; R18-I28 HydrophobicContact CB-CD1 3.92Å; R18-I28 HydrophobicContact CB-CG1 4.41Å; R18-I28 HydrophobicContact CG-CD1 4.14Å; R18-I28 HydrophobicContact CG-CG1 4.13Å; R18-D70 IonicContact NH1-OD1 3.6Å; R18-D70 PolarHBondContact NH1-OD1 2.93Å; R18-A72 HydrophobicContact CB-CB 4.08Å; R18-L73 CarbonylContact C-O 3.58Å; R18-L73 WeakPolarHBondContact CA-O 3.31Å; R18-Y74 HydrophobicContact CB-CD1 3.93Å; R18-Y74 HydrophobicContact CB-CE1 3.88Å; R18-Y74 HydrophobicContact CB-CG 4.36Å
19	Q	97.3	Very high	95.7	Very high	66 Å²	66	55 Å²	55	31%	0.308	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	106	171.9	-171.2	175.9	23.9	0	0	109.5	K23 L25 A72 L73 Y75	Q19-K23 WeakPolarHBondContact CG-O 3.35Å; Q19-K23 PolarHBondContact NE2-O 3.11Å; Q19-K23 VanDerWaalsContact NE2-O 3.12Å; Q19-L25 HydrophobicContact CB-CD2 4.1Å; Q19-A72 WeakPolarHBondContact O-CA 3.17Å; Q19-A72 WeakPolarHBondContact O-CB 3.33Å; Q19-L73 PolarHBondContact N-O 3.28Å; Q19-L73 PolarHBondContact O-N 3.21Å; Q19-Y75 HydrophobicContact CB-CE2 4.13Å
20	A	95.9	Very high	95.8	Very high	19 Å²	19	56.9 Å²	56.9	16%	0.157	30%	0.301	C	S	.	.			trans	-72.2	153.1	172.4	0	0	0	0	0	110.6	G22 K23 A72	A20-G22 PolarHBondContact O-N 2.77Å; A20-K23 HydrophobicContact CB-CB 4.1Å; A20-K23 HydrophobicContact CB-CG 3.93Å; A20-K23 WeakPolarHBondContact O-CB 3.35Å; A20-K23 PolarHBondContact O-N 2.83Å; A20-A72 HydrophobicContact CB-CB 4.44Å
21	P	95.1	Very high	95.9	Very high	103 Å²	103	54.9 Å²	54.9	67%	0.669	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	126.1	176.8	-27	34.6	0	0	0	112.2	K23 T71	P21-K23 PolarHBondContact O-N 2.79Å; P21-T71 WeakPolarHBondContact CD-O 3.46Å; P21-T71 HydrophobicContact CG-CG2 4.46Å
22	G	95.2	Very high	96	Very high	90 Å²	90	46.7 Å²	46.7	93%	0.928	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	9.7	-179	0	0	0	0	0	115.2	A20	A20-G22 PolarHBondContact O-N 2.77Å
23	K	94.7	Very high	96.1	Very high	131 Å²	131	43.9 Å²	43.9	57%	0.57	25%	0.251	S	S	*	.			trans	-111.9	162.7	175.9	-59.5	-65.5	-174.1	174.1	0	111.8	Q19 A20 P21	Q19-K23 WeakPolarHBondContact CG-O 3.35Å; Q19-K23 PolarHBondContact NE2-O 3.11Å; Q19-K23 VanDerWaalsContact NE2-O 3.12Å; A20-K23 HydrophobicContact CB-CB 4.1Å; A20-K23 HydrophobicContact CB-CG 3.93Å; A20-K23 WeakPolarHBondContact O-CB 3.35Å; A20-K23 PolarHBondContact O-N 2.83Å; P21-K23 PolarHBondContact O-N 2.79Å
24	G	94.5	Very high	96.1	Very high	50 Å²	50	44.9 Å²	44.9	52%	0.515	26%	0.263	S	S	.	.			trans	-73.1	179.4	170.1	0	0	0	0	0	112.1	E26	G24-E26 PolarHBondContact O-N 2.98Å
25	L	94.8	Very high	96.1	Very high	99 Å²	99	47.2 Å²	47.2	52%	0.518	28%	0.279	S	S	.	.			trans	-68.7	128.3	171.8	-69	167.3	0	0	0	110	V17 Q19 Y75 W88	V17-L25 HydrophobicContact CG1-CB 3.89Å; V17-L25 HydrophobicContact CG1-CD2 3.82Å; V17-L25 HydrophobicContact CG1-CG 4.4Å; Q19-L25 HydrophobicContact CB-CD2 4.1Å; L25-Y75 HydrophobicContact CD2-CD2 4.37Å; L25-Y75 HydrophobicContact CD2-CE2 4.27Å; L25-W88 HydrophobicContact CD1-CH2 3.96Å; L25-W88 HydrophobicContact CD2-CH2 4.49Å; L25-W88 HydrophobicContact CD2-CZ3 4.37Å
26	E	95.3	Very high	96.1	Very high	67 Å²	67	51.2 Å²	51.2	31%	0.313	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.7	176.5	-67	-179.9	-178.2	0	0	109	V17 R18 G24 I28	V17-E26 CarbonylContact C-O 3.58Å; V17-E26 WeakPolarHBondContact CA-O 3.41Å; V17-E26 WeakPolarHBondContact CG1-O 3.38Å; R18-E26 HydrophobicContact CG-CB 4.02Å; R18-E26 IonicContact CZ-OE2 3.22Å; R18-E26 PolarHBondContact N-O 3.48Å; R18-E26 IonicContact NE-OE2 3.07Å; R18-E26 PolarHBondContact NE-OE2 2.88Å; R18-E26 IonicContact NH2-OE2 3.61Å; R18-E26 PolarHBondContact NH2-OE2 3.18Å; R18-E26 PolarHBondContact O-N 3.22Å; G24-E26 PolarHBondContact O-N 2.98Å; E26-I28 PolarHBondContact O-N 2.97Å
27	W	95.3	Very high	96.1	Very high	83 Å²	83	53.6 Å²	53.6	31%	0.314	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.1	174.7	-179.6	80.8	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 CH2-CG 4.46Å; W27-E30 HydrophobicContact CZ2-CB 3.9Å; W27-E30 HydrophobicContact CZ2-CG 3.66Å; W27-N39 HydrophobicContact CH2-CB 3.82Å; W27-N39 HydrophobicContact CZ2-CB 4.42Å; W27-Y40 VanDerWaalsContact CZ3-C 3.42Å; W27-S41 VanDerWaalsContact CZ3-N 3.31Å; W27-S41 WeakPolarHBondContact O-CB 3.35Å
28	I	96.2	Very high	96.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-47.1	179.1	-65.1	162	0	0	0	110.1	W16 R18 E26 Y40 S41 L44 F48 L61 Y74	W16-I28 HydrophobicContact CB-CB 4.06Å; W16-I28 HydrophobicContact CB-CD1 3.99Å; W16-I28 WeakPolarHBondContact O-CB 3.15Å; W16-I28 PolarHBondContact O-N 3.25Å; R18-I28 HydrophobicContact CB-CD1 3.92Å; R18-I28 HydrophobicContact CB-CG1 4.41Å; R18-I28 HydrophobicContact CG-CD1 4.14Å; R18-I28 HydrophobicContact CG-CG1 4.13Å; E26-I28 PolarHBondContact O-N 2.97Å; I28-Y40 WeakPolarHBondContact O-CA 3.24Å; I28-S41 PolarHBondContact O-N 2.88Å; I28-L44 HydrophobicContact CB-CD1 4.45Å; I28-L44 HydrophobicContact CG1-CD1 3.96Å; I28-F48 HydrophobicContact CG2-CB 3.96Å; I28-F48 HydrophobicContact CG2-CD2 3.9Å; I28-F48 HydrophobicContact CG2-CG 3.91Å; I28-L61 HydrophobicContact CD1-CD2 3.9Å; I28-L61 HydrophobicContact CG2-CD1 4.2Å; I28-Y74 HydrophobicContact CD1-CD1 3.8Å; I28-Y74 HydrophobicContact CD1-CE1 3.8Å
29	G	96	Very high	96.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.9	177.7	-174.3	0	0	0	0	0	112.3	S15 W16 W27 N39 I50	S15-G29 CarbonylContact C-O 3.53Å; S15-G29 VanDerWaalsContact CA-O 3.23Å; S15-G29 WeakPolarHBondContact CA-O 2.99Å; S15-G29 WeakPolarHBondContact CB-O 2.98Å; W16-G29 PolarHBondContact N-O 3.19Å; W16-G29 PolarHBondContact O-N 2.78Å; 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 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.15Å; G29-I50 VanDerWaalsContact C-CD1 3.41Å
30	E	96.2	Very high	96	Very high	38 Å²	38	58 Å²	58	18%	0.178	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.5	177.6	71	-174.9	168.2	0	0	112.1	W13 M14 S15 W27 I38 N39	W13-E30 HydrophobicContact CE3-CB 4.22Å; W13-E30 VanDerWaalsContact CE3-CD 3.47Å; W13-E30 HydrophobicContact CE3-CG 3.49Å; W13-E30 VanDerWaalsContact CE3-CG 3.49Å; W13-E30 HydrophobicContact CZ3-CG 3.65Å; M14-E30 CarbonylContact O-C 3.6Å; M14-E30 WeakPolarHBondContact O-CA 3.42Å; M14-E30 WeakPolarHBondContact O-CB 3.34Å; S15-E30 WeakPolarHBondContact OG-CB 3.23Å; W27-E30 HydrophobicContact CH2-CG 4.46Å; W27-E30 HydrophobicContact CZ2-CB 3.9Å; W27-E30 HydrophobicContact CZ2-CG 3.66Å; E30-I38 CarbonylContact O-C 3.56Å; E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.01Å; E30-I38 VanDerWaalsContact O-CG2 3.32Å; E30-I38 WeakPolarHBondContact O-CG2 3.33Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 3.07Å; E30-N39 PolarHBondContact O-N 3.04Å; E30-N39 PolarHBondContact OE1-ND2 2.87Å
31	I	97.6	Very high	96	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.8	179.1	-175.2	161.7	0	0	0	110.1	W13 M14 I38 I50 R52 L59	W13-I31 WeakPolarHBondContact CA-O 3.36Å; M14-I31 HydrophobicContact CB-CG2 4.43Å; M14-I31 PolarHBondContact N-O 3.12Å; M14-I31 PolarHBondContact O-N 3.42Å; I31-I38 HydrophobicContact CB-CG1 4.34Å; I31-I38 HydrophobicContact CD1-CD1 3.93Å; I31-I38 HydrophobicContact CD1-CG1 3.92Å; I31-I38 HydrophobicContact CG1-CD1 4.5Å; I31-I38 HydrophobicContact CG1-CG1 3.93Å; I31-I50 HydrophobicContact CB-CG2 3.87Å; I31-I50 HydrophobicContact CG2-CG2 3.66Å; I31-R52 HydrophobicContact CD1-CG 3.94Å; I31-R52 HydrophobicContact CG1-CG 4.39Å; I31-R52 HydrophobicContact CG2-CB 4.45Å; I31-L59 HydrophobicContact CG2-CD1 3.48Å; I31-L59 VanDerWaalsContact CG2-CD1 3.48Å
32	N	96.3	Very high	95.9	Very high	14 Å²	14	58.8 Å²	58.8	8%	0.075	35%	0.349	C	S	.	.			trans	-77.7	167	-179.8	78.2	-26	0	0	0	112.3	W13 D34 S35 S36 T37 R52	W13-N32 HydrophobicContact CD2-CB 3.65Å; W13-N32 HydrophobicContact CE3-CB 3.85Å; W13-N32 HydrophobicContact CG-CB 4.39Å; W13-N32 HydrophobicContact CH2-CB 3.65Å; W13-N32 HydrophobicContact CZ2-CB 3.38Å; W13-N32 HydrophobicContact CZ3-CB 3.85Å; N32-D34 VanDerWaalsContact C-N 3.35Å; N32-D34 VanDerWaalsContact CG-OD1 3.22Å; N32-D34 PolarHBondContact ND2-OD1 2.84Å; N32-D34 PolarHBondContact O-N 3.47Å; N32-D34 PolarHBondContact OD1-OD1 2.01Å; N32-D34 VanDerWaalsContact OD1-OD1 3.14Å; N32-S35 PolarHBondContact O-N 3.3Å; N32-S35 VanDerWaalsContact OD1-C 3.28Å; N32-S35 WeakPolarHBondContact OD1-CA 3.4Å; N32-S35 PolarHBondContact OD1-N 2.88Å; N32-S36 PolarHBondContact ND2-OG 2.89Å; N32-S36 PolarHBondContact OD1-N 2.82Å; N32-T37 PolarHBondContact N-O 3.5Å; N32-T37 PolarHBondContact ND2-N 3.04Å; N32-T37 PolarHBondContact OD1-N 2.73Å; N32-T37 PolarHBondContact OD1-O 3.49Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; N32-R52 VanDerWaalsContact O-CD 3.3Å; N32-R52 WeakPolarHBondContact O-CD 3.23Å; N32-R52 PolarHBondContact O-NH1 2.83Å
33	P	96.8	Very high	95.6	Very high	33 Å²	33	58.7 Å²	58.7	21%	0.214	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-46.4	180	-40.2	44	0	0	0	116.9	S10 R52 N54	S10-P33 VanDerWaalsContact O-CB 3.31Å; S10-P33 WeakPolarHBondContact O-CB 3.41Å; P33-R52 VanDerWaalsContact CA-NH1 3.29Å; P33-N54 PolarHBondContact O-ND2 2.83Å
34	D	96.3	Very high	95.4	Very high	109 Å²	109	52.7 Å²	52.7	58%	0.583	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	3.9	-174.3	66.3	9.3	0	0	0	113.3	N32 S36	N32-D34 VanDerWaalsContact C-N 3.35Å; N32-D34 VanDerWaalsContact CG-OD1 3.22Å; N32-D34 PolarHBondContact ND2-OD1 2.84Å; N32-D34 PolarHBondContact O-N 3.47Å; N32-D34 PolarHBondContact OD1-OD1 2.01Å; N32-D34 VanDerWaalsContact OD1-OD1 3.14Å; D34-S36 VanDerWaalsContact CG-OG 3.32Å; D34-S36 PolarHBondContact O-N 2.89Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.15Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 3.48Å; D34-S36 PolarHBondContact OD2-OG 3.03Å
35	S	97	Very high	95.1	Very high	53 Å²	53	55.7 Å²	55.7	37%	0.371	31%	0.307	S	S	.	.	S	Bend	trans	63	10.5	-178	-44.7	0	0	0	0	115.4	N32 T37 R52	N32-S35 PolarHBondContact O-N 3.3Å; N32-S35 VanDerWaalsContact OD1-C 3.28Å; N32-S35 WeakPolarHBondContact OD1-CA 3.4Å; N32-S35 PolarHBondContact OD1-N 2.88Å; S35-T37 VanDerWaalsContact C-N 3.3Å; S35-R52 WeakPolarHBondContact OG-CD 3.48Å; S35-R52 WeakPolarHBondContact OG-CG 3.39Å
36	S	97.3	Very high	95	Very high	85 Å²	85	56.5 Å²	56.5	59%	0.594	31%	0.312	S	S	*	.	S	Bend	trans	-73	-23	177.4	63.4	0	0	0	0	113.3	N32 D34	N32-S36 PolarHBondContact ND2-OG 2.89Å; N32-S36 PolarHBondContact OD1-N 2.82Å; D34-S36 VanDerWaalsContact CG-OG 3.32Å; D34-S36 PolarHBondContact O-N 2.89Å; D34-S36 VanDerWaalsContact OD1-CB 3.25Å; D34-S36 WeakPolarHBondContact OD1-CB 3.15Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 3.48Å; D34-S36 PolarHBondContact OD2-OG 3.03Å
37	T	97.4	Very high	94.9	Very high	56 Å²	56	55.2 Å²	55.2	34%	0.344	31%	0.306	S	S	.	.			trans	-128.8	129.9	-178.7	-53.9	0	0	0	0	110.7	W13 N32 S35	W13-T37 HydrophobicContact CH2-CG2 3.87Å; W13-T37 HydrophobicContact CZ3-CG2 4.46Å; N32-T37 PolarHBondContact N-O 3.5Å; N32-T37 PolarHBondContact ND2-N 3.04Å; N32-T37 PolarHBondContact OD1-N 2.73Å; N32-T37 PolarHBondContact OD1-O 3.49Å; N32-T37 VanDerWaalsContact OD1-O 3.11Å; S35-T37 VanDerWaalsContact C-N 3.3Å
38	I	97.1	Very high	94.8	Very high	62 Å²	62	51.3 Å²	51.3	32%	0.318	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	122.4	172	-48.5	176.3	0	0	0	107.9	E30 I31 Y40 I50	E30-I38 CarbonylContact O-C 3.56Å; E30-I38 VanDerWaalsContact O-CA 3.31Å; E30-I38 WeakPolarHBondContact O-CA 3.01Å; E30-I38 VanDerWaalsContact O-CG2 3.32Å; E30-I38 WeakPolarHBondContact O-CG2 3.33Å; I31-I38 HydrophobicContact CB-CG1 4.34Å; I31-I38 HydrophobicContact CD1-CD1 3.93Å; I31-I38 HydrophobicContact CD1-CG1 3.92Å; I31-I38 HydrophobicContact CG1-CD1 4.5Å; I31-I38 HydrophobicContact CG1-CG1 3.93Å; I38-Y40 HydrophobicContact CB-CE2 3.98Å; I38-Y40 HydrophobicContact CG2-CD2 3.99Å; I38-Y40 HydrophobicContact CG2-CE1 4.28Å; I38-Y40 HydrophobicContact CG2-CE2 3.33Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.5Å; I38-I50 HydrophobicContact CG2-CB 4.22Å
39	N	95.8	Very high	94.9	Very high	66 Å²	66	55 Å²	55	35%	0.353	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	139.8	173.3	-59.8	-40	0	0	0	108.8	W27 G29 E30	W27-N39 HydrophobicContact CH2-CB 3.82Å; W27-N39 HydrophobicContact CZ2-CB 4.42Å; G29-N39 CarbonylContact C-O 3.58Å; G29-N39 WeakPolarHBondContact CA-O 3.15Å; E30-N39 HydrophobicContact CG-CB 4.1Å; E30-N39 PolarHBondContact N-O 3.07Å; E30-N39 PolarHBondContact O-N 3.04Å; E30-N39 PolarHBondContact OE1-ND2 2.87Å
40	Y	96.2	Very high	94.9	Very high	59 Å²	59	55 Å²	55	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	153.3	177.4	-70.2	-85.2	0	0	0	110.8	W27 I28 I38 K45 F48 I50	W27-Y40 VanDerWaalsContact CZ3-C 3.42Å; I28-Y40 WeakPolarHBondContact O-CA 3.24Å; I38-Y40 HydrophobicContact CB-CE2 3.98Å; I38-Y40 HydrophobicContact CG2-CD2 3.99Å; I38-Y40 HydrophobicContact CG2-CE1 4.28Å; I38-Y40 HydrophobicContact CG2-CE2 3.33Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.5Å; Y40-K45 HydrophobicContact CD2-CB 4.5Å; Y40-K45 HydrophobicContact CG-CB 4.04Å; Y40-F48 WeakPolarHBondContact CE1-O 3.34Å; Y40-I50 HydrophobicContact CD1-CD1 4.29Å; Y40-I50 HydrophobicContact CE1-CB 4.46Å; Y40-I50 HydrophobicContact CE1-CD1 3.85Å; Y40-I50 HydrophobicContact CE1-CG1 3.84Å; Y40-I50 PolarHBondContact OH-N 2.77Å
41	S	94.6	Very high	95	Very high	23 Å²	23	55.6 Å²	55.6	16%	0.161	32%	0.319	C	S	.	.			trans	-62.9	132	161.8	175.5	0	0	0	0	109.2	W27 I28 S43 L44 K45	W27-S41 VanDerWaalsContact CZ3-N 3.31Å; W27-S41 WeakPolarHBondContact O-CB 3.35Å; I28-S41 PolarHBondContact O-N 2.88Å; S41-S43 PolarHBondContact O-N 3.09Å; S41-S43 PolarHBondContact OG-OG 2.86Å; S41-L44 PolarHBondContact O-N 3.1Å; S41-K45 PolarHBondContact O-N 3.47Å; S41-K45 VanDerWaalsContact O-N 3.09Å
42	P	92.7	Very high	95.1	Very high	114 Å²	114	56.7 Å²	56.7	74%	0.74	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.9	-177.2	-28.5	34.9	0	0	0	114.2
43	S	90.2	Very high	95.1	Very high	88 Å²	88	58 Å²	58	62%	0.615	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.7	-179.6	58.1	0	0	0	0	114.3	S41	S41-S43 PolarHBondContact O-N 3.09Å; S41-S43 PolarHBondContact OG-OG 2.86Å
44	L	89.8	Confident	95.2	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-4.9	-171	-57.5	178.4	0	0	0	113.7	I28 S41 D46 E47 F48	I28-L44 HydrophobicContact CB-CD1 4.45Å; I28-L44 HydrophobicContact CG1-CD1 3.96Å; S41-L44 PolarHBondContact O-N 3.1Å; L44-D46 PolarHBondContact O-N 3.11Å; L44-D46 VanDerWaalsContact O-N 3.1Å; L44-E47 PolarHBondContact O-N 2.96Å; L44-E47 VanDerWaalsContact O-N 3.11Å; L44-F48 HydrophobicContact CB-CD2 4.03Å; L44-F48 HydrophobicContact CB-CE2 4.22Å; L44-F48 HydrophobicContact CD2-CE2 4.21Å; L44-F48 PolarHBondContact O-N 2.84Å
45	K	89.4	Confident	95.2	Very high	113 Å²	113	58.7 Å²	58.7	49%	0.491	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.1	-173.9	71.3	175.8	-170.2	174	0	115	Y40 S41	Y40-K45 HydrophobicContact CD2-CB 4.5Å; Y40-K45 HydrophobicContact CG-CB 4.04Å; S41-K45 PolarHBondContact O-N 3.47Å; S41-K45 VanDerWaalsContact O-N 3.09Å
46	D	91.1	Very high	95.2	Very high	116 Å²	116	62.4 Å²	62.4	62%	0.62	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.7	-174.8	-61.1	-44	0	0	0	112.6	L44 T64	L44-D46 PolarHBondContact O-N 3.11Å; L44-D46 VanDerWaalsContact O-N 3.1Å; D46-T64 PolarHBondContact O-OG1 3.32Å
47	E	92.8	Very high	95.2	Very high	39 Å²	39	61.3 Å²	61.3	18%	0.182	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-23.9	-176	-63.1	-178.5	174.3	0	0	112.5	L44 T64 R67	L44-E47 PolarHBondContact O-N 2.96Å; L44-E47 VanDerWaalsContact O-N 3.11Å; E47-T64 PolarHBondContact O-N 2.83Å; E47-T64 PolarHBondContact O-OG1 3.06Å; E47-R67 IonicContact OE1-NH1 3.16Å
48	F	94.9	Very high	95.3	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.009	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.5	-174.5	-58	-85.4	0	0	0	111.9	I28 Y40 L44 L61 Q62 M63 Y74	I28-F48 HydrophobicContact CG2-CB 3.96Å; I28-F48 HydrophobicContact CG2-CD2 3.9Å; I28-F48 HydrophobicContact CG2-CG 3.91Å; Y40-F48 WeakPolarHBondContact CE1-O 3.34Å; L44-F48 HydrophobicContact CB-CD2 4.03Å; L44-F48 HydrophobicContact CB-CE2 4.22Å; L44-F48 HydrophobicContact CD2-CE2 4.21Å; L44-F48 PolarHBondContact O-N 2.84Å; F48-L61 HydrophobicContact CB-CD1 3.78Å; F48-L61 HydrophobicContact CD1-CD1 3.95Å; F48-L61 HydrophobicContact CD1-CD2 3.87Å; F48-L61 HydrophobicContact CD1-CG 3.87Å; F48-L61 HydrophobicContact CE1-CD2 4.26Å; F48-L61 HydrophobicContact CG-CD1 4.16Å; F48-Q62 CarbonylContact C-O 3.56Å; F48-Q62 WeakPolarHBondContact CA-O 3.44Å; F48-M63 HydrophobicContact CD1-CB 4.46Å; F48-M63 HydrophobicContact CD1-CG 3.91Å; F48-M63 HydrophobicContact CE1-CB 4.38Å; F48-M63 HydrophobicContact CE1-CE 3.92Å; F48-M63 HydrophobicContact CE1-CG 3.72Å; F48-M63 HydrophobicContact CE1-SD 4.41Å; F48-M63 HydrophobicContact CZ-CE 4.43Å; F48-Y74 AromaticContact CE1-CE1 3.81Å; F48-Y74 HydrophobicContact CE1-CE1 3.81Å; F48-Y74 HydrophobicContact CZ-CE1 4.2Å
49	I	96.6	Very high	95.3	Very high	76 Å²	76	56.4 Å²	56.4	39%	0.39	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.9	168.5	-60.3	169.8	0	0	0	107.9	Q62 T64	I49-Q62 HydrophobicContact CB-CB 4.24Å; I49-Q62 PolarHBondContact N-O 2.96Å; I49-Q62 PolarHBondContact O-N 3.03Å; I49-T64 HydrophobicContact CD1-CG2 3.53Å; I49-T64 HydrophobicContact CG1-CG2 3.69Å
50	I	97.9	Very high	95.5	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.7	174.4	-59.5	172.9	0	0	0	108.9	G29 I31 I38 Y40 L59 L61	G29-I50 VanDerWaalsContact C-CD1 3.41Å; I31-I50 HydrophobicContact CB-CG2 3.87Å; I31-I50 HydrophobicContact CG2-CG2 3.66Å; I38-I50 HydrophobicContact CG2-CB 4.22Å; Y40-I50 HydrophobicContact CD1-CD1 4.29Å; Y40-I50 HydrophobicContact CE1-CB 4.46Å; Y40-I50 HydrophobicContact CE1-CD1 3.85Å; Y40-I50 HydrophobicContact CE1-CG1 3.84Å; Y40-I50 PolarHBondContact OH-N 2.77Å; I50-L59 HydrophobicContact CG2-CD1 4.11Å; I50-L61 HydrophobicContact CG1-CD1 3.74Å
51	S	98.1	Very high	95.5	Very high	50 Å²	50	55.4 Å²	55.4	35%	0.35	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	166.1	171.9	64.1	0	0	0	0	110.9	Y60	S51-Y60 PolarHBondContact N-O 3.28Å; S51-Y60 PolarHBondContact O-N 3.12Å; S51-Y60 WeakPolarHBondContact OG-CB 3.21Å
52	R	98.3	Very high	95.7	Very high	25 Å²	25	59.8 Å²	59.8	9%	0.094	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152.7	-177.5	64.5	-176.3	-66.6	158.5	3.2	111.8	F9 Y12 I31 N32 P33 S35 N54 T58 L59	F9-R52 VanDerWaalsContact CD1-NH2 3.27Å; F9-R52 HydrophobicContact CE1-CB 4.19Å; F9-R52 HydrophobicContact CZ-CB 4.13Å; F9-R52 PolarHBondContact O-NH2 3.19Å; Y12-R52 PolarHBondContact O-NH1 2.78Å; I31-R52 HydrophobicContact CD1-CG 3.94Å; I31-R52 HydrophobicContact CG1-CG 4.39Å; I31-R52 HydrophobicContact CG2-CB 4.45Å; N32-R52 VanDerWaalsContact O-CD 3.3Å; N32-R52 WeakPolarHBondContact O-CD 3.23Å; N32-R52 PolarHBondContact O-NH1 2.83Å; P33-R52 VanDerWaalsContact CA-NH1 3.29Å; S35-R52 WeakPolarHBondContact OG-CD 3.48Å; S35-R52 WeakPolarHBondContact OG-CG 3.39Å; R52-N54 PolarHBondContact NE-OD1 2.82Å; R52-N54 PolarHBondContact NH2-OD1 2.89Å; R52-T58 CarbonylContact C-O 3.59Å; R52-T58 WeakPolarHBondContact CA-O 3.48Å; R52-L59 HydrophobicContact CB-CD1 4.13Å
53	D	98	Very high	95.7	Very high	42 Å²	42	56.6 Å²	56.6	23%	0.225	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	106.9	171.5	-176.5	-23.8	0	0	0	108.4	A55 K56 N57 T58 Y60	D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 WeakPolarHBondContact OD1-CB 3.28Å; D53-A55 PolarHBondContact OD1-N 3.09Å; D53-K56 HydrophobicContact CB-CB 4.24Å; D53-K56 PolarHBondContact O-N 2.66Å; D53-K56 PolarHBondContact OD1-N 3.43Å; D53-K56 VanDerWaalsContact OD1-N 3.12Å; D53-K56 WeakPolarHBondContact OD2-CD 3.47Å; D53-K56 WeakPolarHBondContact OD2-CE 3.39Å; D53-K56 WeakPolarHBondContact OD2-CG 3.48Å; D53-K56 IonicContact OD2-NZ 2.85Å; D53-K56 PolarHBondContact OD2-NZ 3.28Å; D53-K56 VanDerWaalsContact OD2-NZ 3.16Å; D53-N57 PolarHBondContact O-N 3.06Å; D53-T58 PolarHBondContact N-O 3.4Å; D53-T58 PolarHBondContact O-N 3.2Å; D53-Y60 HydrophobicContact CB-CE2 3.87Å
54	N	97.6	Very high	95.7	Very high	58 Å²	58	55.3 Å²	55.3	31%	0.31	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-28.5	-178.5	-72.4	-16.7	0	0	0	112.4	F9 P33 R52 K56 N57	F9-N54 WeakPolarHBondContact CE1-OD1 3.41Å; P33-N54 PolarHBondContact O-ND2 2.83Å; R52-N54 PolarHBondContact NE-OD1 2.82Å; R52-N54 PolarHBondContact NH2-OD1 2.89Å; N54-K56 VanDerWaalsContact C-N 3.25Å; N54-K56 PolarHBondContact O-N 2.85Å; N54-N57 PolarHBondContact O-N 2.94Å; N54-N57 PolarHBondContact O-OD1 2.85Å
55	A	96.8	Very high	95.5	Very high	97 Å²	97	60.5 Å²	60.5	80%	0.802	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-29.3	177	0	0	0	0	0	111.4	D53	D53-A55 VanDerWaalsContact C-N 3.35Å; D53-A55 WeakPolarHBondContact OD1-CB 3.28Å; D53-A55 PolarHBondContact OD1-N 3.09Å
56	K	97.5	Very high	95.5	Very high	132 Å²	132	59.4 Å²	59.4	57%	0.574	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2	177.7	-61.2	-179.7	-166	151.4	0	114.1	D53 N54 T58	D53-K56 HydrophobicContact CB-CB 4.24Å; D53-K56 PolarHBondContact O-N 2.66Å; D53-K56 PolarHBondContact OD1-N 3.43Å; D53-K56 VanDerWaalsContact OD1-N 3.12Å; D53-K56 WeakPolarHBondContact OD2-CD 3.47Å; D53-K56 WeakPolarHBondContact OD2-CE 3.39Å; D53-K56 WeakPolarHBondContact OD2-CG 3.48Å; D53-K56 IonicContact OD2-NZ 2.85Å; D53-K56 PolarHBondContact OD2-NZ 3.28Å; D53-K56 VanDerWaalsContact OD2-NZ 3.16Å; N54-K56 VanDerWaalsContact C-N 3.25Å; N54-K56 PolarHBondContact O-N 2.85Å; K56-T58 PolarHBondContact O-N 2.91Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.99Å
57	N	97.4	Very high	95.5	Very high	62 Å²	62	59.6 Å²	59.6	33%	0.332	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	39	-171.1	-61.1	-40.5	0	0	0	112.9	A4 F9 D53 N54	A4-N57 PolarHBondContact N-O 2.96Å; F9-N57 HydrophobicContact CB-CB 3.89Å; F9-N57 WeakPolarHBondContact CB-OD1 3.31Å; F9-N57 HydrophobicContact CD1-CB 4.37Å; F9-N57 HydrophobicContact CG-CB 4.14Å; D53-N57 PolarHBondContact O-N 3.06Å; N54-N57 PolarHBondContact O-N 2.94Å; N54-N57 PolarHBondContact O-OD1 2.85Å
58	T	98.3	Very high	95.5	Very high	14 Å²	14	60.7 Å²	60.7	9%	0.086	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.2	-169.4	-60.2	0	0	0	0	111.9	C2 R52 D53 K56 Y60	C2-T58 CarbonylContact O-C 3.5Å; C2-T58 WeakPolarHBondContact O-CA 2.98Å; R52-T58 CarbonylContact C-O 3.59Å; R52-T58 WeakPolarHBondContact CA-O 3.48Å; D53-T58 PolarHBondContact N-O 3.4Å; D53-T58 PolarHBondContact O-N 3.2Å; K56-T58 PolarHBondContact O-N 2.91Å; K56-T58 VanDerWaalsContact O-N 3.12Å; K56-T58 PolarHBondContact O-OG1 2.99Å; T58-Y60 HydrophobicContact CG2-CD1 4.35Å; T58-Y60 HydrophobicContact CG2-CD2 4.29Å; T58-Y60 HydrophobicContact CG2-CE1 3.73Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.48Å
59	L	98.4	Very high	95.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	141.3	171.3	-170.1	71.4	0	0	0	110.1	S1 C2 F9 M14 W16 I31 I50 R52 C76	S1-L59 CarbonylContact C-O 3.4Å; S1-L59 WeakPolarHBondContact CA-O 3.19Å; C2-L59 HydrophobicContact CB-CB 4.49Å; C2-L59 PolarHBondContact N-O 3.12Å; C2-L59 PolarHBondContact O-N 3.06Å; F9-L59 HydrophobicContact CE2-CB 4.23Å; F9-L59 HydrophobicContact CZ-CB 4.14Å; M14-L59 HydrophobicContact CB-CD1 3.78Å; M14-L59 HydrophobicContact CB-CD2 3.88Å; M14-L59 HydrophobicContact CB-CG 4.35Å; W16-L59 HydrophobicContact CD2-CD2 4.24Å; W16-L59 HydrophobicContact CG-CD2 4.23Å; W16-L59 HydrophobicContact CZ2-CB 4.5Å; W16-L59 HydrophobicContact CZ2-CD2 4.14Å; W16-L59 HydrophobicContact CZ2-CG 4.26Å; W16-L59 VanDerWaalsContact NE1-CG 3.32Å; I31-L59 HydrophobicContact CG2-CD1 3.48Å; I31-L59 VanDerWaalsContact CG2-CD1 3.48Å; I50-L59 HydrophobicContact CG2-CD1 4.11Å; R52-L59 HydrophobicContact CB-CD1 4.13Å; L59-C76 HydrophobicContact CD2-CB 4.07Å
60	Y	98.4	Very high	95.1	Very high	74 Å²	74	63.3 Å²	63.3	29%	0.29	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.8	179.2	-59.6	-85.8	0	0	0	110.6	W16 S51 D53 T58	W16-Y60 PolarHBondContact NE1-O 2.82Å; W16-Y60 VanDerWaalsContact NE1-O 3.09Å; S51-Y60 PolarHBondContact N-O 3.28Å; S51-Y60 PolarHBondContact O-N 3.12Å; S51-Y60 WeakPolarHBondContact OG-CB 3.21Å; D53-Y60 HydrophobicContact CB-CE2 3.87Å; T58-Y60 HydrophobicContact CG2-CD1 4.35Å; T58-Y60 HydrophobicContact CG2-CD2 4.29Å; T58-Y60 HydrophobicContact CG2-CE1 3.73Å; T58-Y60 HydrophobicContact CG2-CE2 3.67Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.48Å
61	L	97.8	Very high	95	Very high	30 Å²	30	64.9 Å²	64.9	16%	0.157	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	114.9	169.6	-172	68.9	0	0	0	106	W16 I28 F48 I50 Y74	W16-L61 HydrophobicContact CB-CD1 4.18Å; W16-L61 HydrophobicContact CB-CD2 4.37Å; W16-L61 HydrophobicContact CD2-CB 3.83Å; W16-L61 HydrophobicContact CD2-CD1 4.47Å; W16-L61 HydrophobicContact CD2-CD2 4.03Å; W16-L61 HydrophobicContact CD2-CG 4.35Å; W16-L61 HydrophobicContact CE3-CB 4.44Å; W16-L61 HydrophobicContact CE3-CD2 4.16Å; W16-L61 HydrophobicContact CG-CB 4.1Å; W16-L61 HydrophobicContact CG-CD1 3.89Å; W16-L61 HydrophobicContact CG-CD2 4.11Å; W16-L61 HydrophobicContact CG-CG 4.27Å; W16-L61 HydrophobicContact CZ2-CB 3.97Å; I28-L61 HydrophobicContact CD1-CD2 3.9Å; I28-L61 HydrophobicContact CG2-CD1 4.2Å; F48-L61 HydrophobicContact CB-CD1 3.78Å; F48-L61 HydrophobicContact CD1-CD1 3.95Å; F48-L61 HydrophobicContact CD1-CD2 3.87Å; F48-L61 HydrophobicContact CD1-CG 3.87Å; F48-L61 HydrophobicContact CE1-CD2 4.26Å; F48-L61 HydrophobicContact CG-CD1 4.16Å; I50-L61 HydrophobicContact CG1-CD1 3.74Å; L61-Y74 HydrophobicContact CD2-CD1 3.61Å; L61-Y74 HydrophobicContact CD2-CE1 3.9Å
62	Q	96.9	Very high	95	Very high	116 Å²	116	62.7 Å²	62.7	54%	0.542	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.3	173.6	175.9	177.8	-11.7	0	0	108.3	F48 I49	F48-Q62 CarbonylContact C-O 3.56Å; F48-Q62 WeakPolarHBondContact CA-O 3.44Å; I49-Q62 HydrophobicContact CB-CB 4.24Å; I49-Q62 PolarHBondContact N-O 2.96Å; I49-Q62 PolarHBondContact O-N 3.03Å
63	M	94.2	Very high	95	Very high	47 Å²	47	64.5 Å²	64.5	23%	0.232	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.2	175	-53	176.8	68.4	0	0	107.6	F48 V66 D70 Y74 V94	F48-M63 HydrophobicContact CD1-CB 4.46Å; F48-M63 HydrophobicContact CD1-CG 3.91Å; F48-M63 HydrophobicContact CE1-CB 4.38Å; F48-M63 HydrophobicContact CE1-CE 3.92Å; F48-M63 HydrophobicContact CE1-CG 3.72Å; F48-M63 HydrophobicContact CE1-SD 4.41Å; F48-M63 HydrophobicContact CZ-CE 4.43Å; M63-V66 HydrophobicContact CB-CG2 4.06Å; M63-D70 HydrophobicContact CE-CB 3.55Å; M63-Y74 WeakPolarHBondContact CE-OH 3.47Å; M63-V94 HydrophobicContact SD-CG1 4.46Å
64	T	90.4	Very high	95	Very high	61 Å²	61	62.9 Å²	62.9	37%	0.374	33%	0.327	S	S	.	.	S	Bend	trans	-86.5	-35.4	-174.8	60.9	0	0	0	0	112	D46 E47 I49	D46-T64 PolarHBondContact O-OG1 3.32Å; E47-T64 PolarHBondContact O-N 2.83Å; E47-T64 PolarHBondContact O-OG1 3.06Å; I49-T64 HydrophobicContact CD1-CG2 3.53Å; I49-T64 HydrophobicContact CG1-CG2 3.69Å
65	K	85.3	Confident	95	Very high	115 Å²	115	61.8 Å²	61.8	50%	0.5	32%	0.318	S	S	.	.	S	Bend	trans	-126.5	125.1	173.8	-64.6	175.3	-174.3	168.1	0	106.3
66	V	89	Confident	95	Very high	89 Å²	89	57.6 Å²	57.6	54%	0.539	28%	0.283	S	S	.	.			trans	-107.6	118.3	-179.5	-177.5	0	0	0	0	107.3	M63 V96	M63-V66 HydrophobicContact CB-CG2 4.06Å; V66-V96 HydrophobicContact CG1-CB 4.24Å; V66-V96 HydrophobicContact CG1-CG1 3.72Å; V66-V96 HydrophobicContact CG1-CG2 3.45Å; V66-V96 VanDerWaalsContact CG1-CG2 3.45Å
67	R	91.6	Very high	94.9	Very high	121 Å²	121	51.4 Å²	51.4	46%	0.457	26%	0.257	S	S	.	.			trans	-128.6	165.7	179	-53.9	177.1	173.9	160.2	-2.9	110.9	E47 E69 D70 V96	E47-R67 IonicContact OE1-NH1 3.16Å; R67-E69 WeakPolarHBondContact CB-OE2 3.47Å; R67-E69 PolarHBondContact O-N 3.13Å; R67-D70 PolarHBondContact N-OD2 3.08Å; R67-D70 WeakPolarHBondContact O-CB 3.35Å; R67-D70 PolarHBondContact O-N 3.09Å; R67-V96 WeakPolarHBondContact O-CB 3.25Å; R67-V96 WeakPolarHBondContact O-CG1 3.22Å
68	S	92	Very high	94.8	Very high	62 Å²	62	49.5 Å²	49.5	43%	0.434	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-57.7	-30.9	178.3	49.2	0	0	0	0	112.2	D70 T71	S68-D70 PolarHBondContact O-N 2.74Å; S68-T71 WeakPolarHBondContact O-CB 3.39Å; S68-T71 PolarHBondContact O-N 2.85Å; S68-T71 PolarHBondContact O-OG1 3.07Å; S68-T71 VanDerWaalsContact O-OG1 3.12Å
69	E	90.4	Very high	94.2	Very high	128 Å²	128	50 Å²	50	60%	0.598	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-66.7	-16.3	176.7	-56.2	83.3	-167.8	0	0	113.8	R67 T71	R67-E69 WeakPolarHBondContact CB-OE2 3.47Å; R67-E69 PolarHBondContact O-N 3.13Å; E69-T71 PolarHBondContact O-N 3Å
70	D	93.1	Very high	93.4	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-82.8	2.9	176	-62.6	-51.4	0	0	0	113.2	R18 M63 R67 S68 A72 Y74 V96	R18-D70 IonicContact NH1-OD1 3.6Å; R18-D70 PolarHBondContact NH1-OD1 2.93Å; M63-D70 HydrophobicContact CE-CB 3.55Å; R67-D70 PolarHBondContact N-OD2 3.08Å; R67-D70 WeakPolarHBondContact O-CB 3.35Å; R67-D70 PolarHBondContact O-N 3.09Å; S68-D70 PolarHBondContact O-N 2.74Å; D70-A72 PolarHBondContact O-N 3.11Å; D70-Y74 WeakPolarHBondContact O-CE2 3.36Å; D70-Y74 PolarHBondContact O-OH 3.43Å; D70-V96 HydrophobicContact CB-CG2 4.46Å
71	T	96.1	Very high	92.2	Very high	35 Å²	35	57.8 Å²	57.8	22%	0.215	30%	0.296	C	S	.	.			trans	-65.4	108	171.9	-65.2	0	0	0	0	110	P21 S68 E69 V94 T95 V96	P21-T71 WeakPolarHBondContact CD-O 3.46Å; P21-T71 HydrophobicContact CG-CG2 4.46Å; S68-T71 WeakPolarHBondContact O-CB 3.39Å; S68-T71 PolarHBondContact O-N 2.85Å; S68-T71 PolarHBondContact O-OG1 3.07Å; S68-T71 VanDerWaalsContact O-OG1 3.12Å; E69-T71 PolarHBondContact O-N 3Å; T71-V94 WeakPolarHBondContact CA-O 3.31Å; T71-T95 HydrophobicContact CG2-CG2 4.28Å; T71-V96 PolarHBondContact OG1-N 3.14Å; T71-V96 PolarHBondContact OG1-O 2.74Å
72	A	97.1	Very high	90.8	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	-162.1	166.5	-175.3	0	0	0	0	0	112.2	R18 Q19 A20 D70 Y74 V94	R18-A72 HydrophobicContact CB-CB 4.08Å; Q19-A72 WeakPolarHBondContact O-CA 3.17Å; Q19-A72 WeakPolarHBondContact O-CB 3.33Å; A20-A72 HydrophobicContact CB-CB 4.44Å; D70-A72 PolarHBondContact O-N 3.11Å; A72-Y74 HydrophobicContact CB-CD2 4.25Å; A72-Y74 HydrophobicContact CB-CE2 3.73Å; A72-Y74 WeakPolarHBondContact O-CD2 3.17Å; A72-V94 PolarHBondContact N-O 3.02Å; A72-V94 VanDerWaalsContact N-O 3.08Å; A72-V94 PolarHBondContact O-N 3Å
73	L	98	Very high	89.3	Confident	64 Å²	64	68.3 Å²	68.3	34%	0.335	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129.9	160.2	-73.3	163.6	0	0	0	109.2	R18 Q19 Y75 T92	R18-L73 CarbonylContact C-O 3.58Å; R18-L73 WeakPolarHBondContact CA-O 3.31Å; Q19-L73 PolarHBondContact N-O 3.28Å; Q19-L73 PolarHBondContact O-N 3.21Å; L73-Y75 HydrophobicContact CB-CE2 3.57Å; L73-Y75 WeakPolarHBondContact CB-OH 3.4Å; L73-Y75 VanDerWaalsContact CD1-OH 3.29Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.17Å; L73-T92 CarbonylContact C-O 3.48Å; L73-T92 WeakPolarHBondContact CA-O 3.32Å
74	Y	98.1	Very high	88.5	Confident	7 Å²	7	68.7 Å²	68.7	3%	0.027	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128	-180	-72.3	-100	0	0	0	110.8	R18 I28 F48 L61 M63 D70 A72 G91 T92 V94	R18-Y74 HydrophobicContact CB-CD1 3.93Å; R18-Y74 HydrophobicContact CB-CE1 3.88Å; R18-Y74 HydrophobicContact CB-CG 4.36Å; I28-Y74 HydrophobicContact CD1-CD1 3.8Å; I28-Y74 HydrophobicContact CD1-CE1 3.8Å; F48-Y74 AromaticContact CE1-CE1 3.81Å; F48-Y74 HydrophobicContact CE1-CE1 3.81Å; F48-Y74 HydrophobicContact CZ-CE1 4.2Å; L61-Y74 HydrophobicContact CD2-CD1 3.61Å; L61-Y74 HydrophobicContact CD2-CE1 3.9Å; M63-Y74 WeakPolarHBondContact CE-OH 3.47Å; D70-Y74 WeakPolarHBondContact O-CE2 3.36Å; D70-Y74 PolarHBondContact O-OH 3.43Å; A72-Y74 HydrophobicContact CB-CD2 4.25Å; A72-Y74 HydrophobicContact CB-CE2 3.73Å; A72-Y74 WeakPolarHBondContact O-CD2 3.17Å; Y74-G91 CarbonylContact O-C 3.4Å; Y74-G91 VanDerWaalsContact O-CA 3.23Å; Y74-G91 WeakPolarHBondContact O-CA 3.27Å; Y74-T92 PolarHBondContact N-O 3.2Å; Y74-T92 PolarHBondContact O-N 2.95Å; Y74-V94 HydrophobicContact CD2-CB 3.95Å; Y74-V94 HydrophobicContact CD2-CG2 3.7Å; Y74-V94 HydrophobicContact CE2-CB 3.81Å; Y74-V94 HydrophobicContact CE2-CG2 3.99Å
75	Y	97.9	Very high	88.2	Confident	35 Å²	35	68.3 Å²	68.3	14%	0.137	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134.5	-176.7	-53.9	-91.2	0	0	0	110	W16 V17 Q19 L25 L73 W88 G91	W16-Y75 CarbonylContact C-O 3.54Å; W16-Y75 WeakPolarHBondContact CA-O 3.4Å; W16-Y75 VanDerWaalsContact CE3-C 3.44Å; V17-Y75 PolarHBondContact N-O 3.12Å; V17-Y75 PolarHBondContact O-N 3.39Å; Q19-Y75 HydrophobicContact CB-CE2 4.13Å; L25-Y75 HydrophobicContact CD2-CD2 4.37Å; L25-Y75 HydrophobicContact CD2-CE2 4.27Å; L73-Y75 HydrophobicContact CB-CE2 3.57Å; L73-Y75 WeakPolarHBondContact CB-OH 3.4Å; L73-Y75 VanDerWaalsContact CD1-OH 3.29Å; L73-Y75 WeakPolarHBondContact CD1-OH 3.17Å; Y75-W88 HydrophobicContact CD1-CE3 4.47Å; Y75-W88 HydrophobicContact CG-CE3 4.19Å; Y75-W88 HydrophobicContact CG-CZ3 4.28Å; Y75-G91 VanDerWaalsContact CE1-CA 3.45Å
76	C	97.2	Very high	88.3	Confident	10 Å²	10	65.3 Å²	65.3	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	146.6	158.3	55.6	0	0	0	0	109.1	C2 S15 W16 L59 G89	C2-C76 HydrophobicContact CB-CB 3.36Å; C2-C76 WeakPolarHBondContact CB-SG 3.3Å; C2-C76 WeakPolarHBondContact SG-CB 3.38Å; C2-C76 CovalentContact SG-SG 2.01Å; C2-C76 PolarHBondContact SG-SG 3.16Å; S15-C76 CarbonylContact O-C 3.55Å; S15-C76 WeakPolarHBondContact O-CA 3.41Å; W16-C76 HydrophobicContact CE3-CB 4.32Å; W16-C76 HydrophobicContact CH2-CB 4.09Å; W16-C76 HydrophobicContact CZ2-CB 4.32Å; W16-C76 HydrophobicContact CZ3-CB 4.1Å; L59-C76 HydrophobicContact CD2-CB 4.07Å; C76-G89 PolarHBondContact O-N 2.59Å
77	A	96.1	Very high	88.3	Confident	2 Å²	2	66.4 Å²	66.4	2%	0.017	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.1	178.1	0	0	0	0	0	111.9	S15 M85 Y87 W88	S15-A77 PolarHBondContact N-O 2.63Å; S15-A77 PolarHBondContact O-N 2.95Å; A77-M85 HydrophobicContact CB-CB 4.25Å; A77-M85 HydrophobicContact CB-CE 4.31Å; A77-M85 HydrophobicContact CB-CG 4.11Å; A77-M85 HydrophobicContact CB-SD 3.34Å; A77-M85 WeakPolarHBondContact CB-SD 3.21Å; A77-Y87 CarbonylContact C-O 3.4Å; A77-Y87 WeakPolarHBondContact CA-O 3.13Å; A77-Y87 WeakPolarHBondContact CB-O 3.38Å; A77-W88 HydrophobicContact CB-CD2 3.99Å; A77-W88 HydrophobicContact CB-CE3 4.02Å; A77-W88 HydrophobicContact CB-CG 4.47Å; A77-W88 HydrophobicContact CB-CZ3 4.33Å
78	R	94.4	Very high	88.5	Confident	22 Å²	22	65.9 Å²	65.9	8%	0.083	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.2	172.2	-168.4	-176.5	80	173.3	13.8	109.7	F7 Y12 M14 M85 D86 Y87	F7-R78 HydrophobicContact CE2-CG 4.39Å; F7-R78 HydrophobicContact CZ-CB 4.45Å; F7-R78 HydrophobicContact CZ-CG 4.5Å; Y12-R78 HydrophobicContact CD1-CG 4.46Å; Y12-R78 HydrophobicContact CG-CG 4.26Å; M14-R78 HydrophobicContact CE-CB 4.48Å; M14-R78 HydrophobicContact SD-CB 4.19Å; M14-R78 HydrophobicContact SD-CG 4.13Å; R78-M85 CarbonylContact O-C 3.59Å; R78-M85 VanDerWaalsContact O-CA 3.28Å; R78-M85 WeakPolarHBondContact O-CA 3.42Å; R78-D86 IonicContact CZ-OD1 2.66Å; R78-D86 IonicContact CZ-OD2 3.43Å; R78-D86 IonicContact NE-OD1 3.51Å; R78-D86 PolarHBondContact NE-OD1 3.2Å; R78-D86 IonicContact NE-OD2 3.53Å; R78-D86 VanDerWaalsContact NH2-CG 3.33Å; R78-D86 IonicContact NH2-OD1 3.92Å; R78-D86 PolarHBondContact NH2-OD1 2.8Å; R78-D86 IonicContact NH2-OD2 3.04Å; R78-D86 PolarHBondContact NH2-OD2 2.81Å; R78-D86 PolarHBondContact O-N 3.49Å; R78-Y87 HydrophobicContact CB-CD2 4.48Å; R78-Y87 PolarHBondContact N-O 3.4Å
79	P	86	Confident	88.7	Confident	25 Å²	25	64.1 Å²	64.1	16%	0.162	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	145.2	171.4	-20	33.9	0	0	0	112.4	W13 S15	W13-P79 HydrophobicContact CB-CG 4.12Å; W13-P79 WeakPolarHBondContact O-CD 3.35Å; S15-P79 VanDerWaalsContact OG-CG 3.31Å; S15-P79 WeakPolarHBondContact OG-CG 3.44Å
80	R	80.9	Confident	88.9	Confident	176 Å²	176	67 Å²	67	66%	0.664	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	90.4	168.9	-170.8	179.7	173.8	-175	-0.4	109.2	A84 D86	R80-A84 PolarHBondContact N-O 2.97Å; R80-D86 HydrophobicContact CB-CB 3.81Å; R80-D86 WeakPolarHBondContact CD-OD2 3.14Å; R80-D86 HydrophobicContact CG-CB 4.31Å
81	G	73.3	Confident	89	Confident	61 Å²	61	68.4 Å²	68.4	63%	0.629	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-154.1	-174	0	0	0	0	0	112.1	Y83	G81-Y83 PolarHBondContact O-N 2.99Å
82	N	69.3	Low	89.1	Confident	141 Å²	141	70.4 Å²	70.4	75%	0.754	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.6	-164.3	-68.7	-7.7	0	0	0	115.9
83	Y	64.8	Low	89.1	Confident	225 Å²	225	74.1 Å²	74.1	88%	0.882	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.4	0.4	-168.6	-55.6	-69.4	0	0	0	116.4	G81	G81-Y83 PolarHBondContact O-N 2.99Å
84	A	77	Confident	89	Confident	55 Å²	55	73 Å²	73	46%	0.455	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.1	-177.4	0	0	0	0	0	110.7	R80	R80-A84 PolarHBondContact N-O 2.97Å
85	M	84.8	Confident	88.9	Confident	53 Å²	53	77.9 Å²	77.9	26%	0.261	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.5	170.4	-68.1	177.4	176.1	0	0	108.3	V17 A77 R78 W88	V17-M85 HydrophobicContact CG2-CE 3.62Å; V17-M85 HydrophobicContact CG2-SD 3.89Å; A77-M85 HydrophobicContact CB-CB 4.25Å; A77-M85 HydrophobicContact CB-CE 4.31Å; A77-M85 HydrophobicContact CB-CG 4.11Å; A77-M85 HydrophobicContact CB-SD 3.34Å; A77-M85 WeakPolarHBondContact CB-SD 3.21Å; R78-M85 CarbonylContact O-C 3.59Å; R78-M85 VanDerWaalsContact O-CA 3.28Å; R78-M85 WeakPolarHBondContact O-CA 3.42Å; M85-W88 HydrophobicContact CB-CZ2 3.8Å; M85-W88 HydrophobicContact CG-CZ2 4.09Å; M85-W88 HydrophobicContact SD-CH2 3.46Å; M85-W88 WeakPolarHBondContact SD-CH2 3.45Å; M85-W88 HydrophobicContact SD-CZ2 3.24Å; M85-W88 WeakPolarHBondContact SD-CZ2 3.08Å; M85-W88 HydrophobicContact SD-CZ3 4.25Å
86	D	86.4	Confident	88.7	Confident	52 Å²	52	77.5 Å²	77.5	28%	0.278	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-16	-175	62.6	-9.2	0	0	0	114.2	R78 R80	R78-D86 IonicContact CZ-OD1 2.66Å; R78-D86 IonicContact CZ-OD2 3.43Å; R78-D86 IonicContact NE-OD1 3.51Å; R78-D86 PolarHBondContact NE-OD1 3.2Å; R78-D86 IonicContact NE-OD2 3.53Å; R78-D86 VanDerWaalsContact NH2-CG 3.33Å; R78-D86 IonicContact NH2-OD1 3.92Å; R78-D86 PolarHBondContact NH2-OD1 2.8Å; R78-D86 IonicContact NH2-OD2 3.04Å; R78-D86 PolarHBondContact NH2-OD2 2.81Å; R78-D86 PolarHBondContact O-N 3.49Å; R80-D86 HydrophobicContact CB-CB 3.81Å; R80-D86 WeakPolarHBondContact CD-OD2 3.14Å; R80-D86 HydrophobicContact CG-CB 4.31Å
87	Y	90.9	Very high	88.3	Confident	113 Å²	113	82.2 Å²	82.2	44%	0.443	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.1	170.3	-69.6	-98.7	0	0	0	110.6	F7 A77 R78	F7-Y87 HydrophobicContact CE1-CG 4.49Å; A77-Y87 CarbonylContact C-O 3.4Å; A77-Y87 WeakPolarHBondContact CA-O 3.13Å; A77-Y87 WeakPolarHBondContact CB-O 3.38Å; R78-Y87 HydrophobicContact CB-CD2 4.48Å; R78-Y87 PolarHBondContact N-O 3.4Å
88	W	95.1	Very high	87.5	Confident	110 Å²	110	90.5 Å²	90.5	42%	0.417	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137	177.2	-71.3	81.7	0	0	0	110.1	V17 L25 Y75 A77 M85	V17-W88 HydrophobicContact CB-CH2 4.15Å; V17-W88 HydrophobicContact CB-CZ3 3.85Å; V17-W88 HydrophobicContact CG1-CH2 4.03Å; V17-W88 HydrophobicContact CG1-CZ3 4.01Å; V17-W88 HydrophobicContact CG2-CH2 3.87Å; V17-W88 HydrophobicContact CG2-CZ3 3.93Å; L25-W88 HydrophobicContact CD1-CH2 3.96Å; L25-W88 HydrophobicContact CD2-CH2 4.49Å; L25-W88 HydrophobicContact CD2-CZ3 4.37Å; Y75-W88 HydrophobicContact CD1-CE3 4.47Å; Y75-W88 HydrophobicContact CG-CE3 4.19Å; Y75-W88 HydrophobicContact CG-CZ3 4.28Å; A77-W88 HydrophobicContact CB-CD2 3.99Å; A77-W88 HydrophobicContact CB-CE3 4.02Å; A77-W88 HydrophobicContact CB-CG 4.47Å; A77-W88 HydrophobicContact CB-CZ3 4.33Å; M85-W88 HydrophobicContact CB-CZ2 3.8Å; M85-W88 HydrophobicContact CG-CZ2 4.09Å; M85-W88 HydrophobicContact SD-CH2 3.46Å; M85-W88 WeakPolarHBondContact SD-CH2 3.45Å; M85-W88 HydrophobicContact SD-CZ2 3.24Å; M85-W88 WeakPolarHBondContact SD-CZ2 3.08Å; M85-W88 HydrophobicContact SD-CZ3 4.25Å
89	G	95.4	Very high	87.2	Confident	24 Å²	24	94 Å²	94	25%	0.247	53%	0.527	C	S	.	.			trans	-67.7	161.9	163.8	0	0	0	0	0	111	C76 G91	C76-G89 PolarHBondContact O-N 2.59Å; G89-G91 PolarHBondContact O-N 2.99Å; G89-G91 VanDerWaalsContact O-N 3.11Å
90	Q	95.2	Very high	87.2	Confident	190 Å²	190	97.6 Å²	97.6	89%	0.888	55%	0.546	S	S	*	.			trans	-64.4	-15.5	178.8	-64.9	-62	-43.8	0	0	113.6
91	G	95.9	Very high	87.6	Confident	32 Å²	32	93.2 Å²	93.2	33%	0.33	54%	0.539	S	S	.	.			trans	87.2	153.1	-174.6	0	0	0	0	0	112.3	Y74 Y75 G89	Y74-G91 CarbonylContact O-C 3.4Å; Y74-G91 VanDerWaalsContact O-CA 3.23Å; Y74-G91 WeakPolarHBondContact O-CA 3.27Å; Y75-G91 VanDerWaalsContact CE1-CA 3.45Å; G89-G91 PolarHBondContact O-N 2.99Å; G89-G91 VanDerWaalsContact O-N 3.11Å
92	T	97.6	Very high	88.4	Confident	78 Å²	78	95.1 Å²	95.1	48%	0.479	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.7	171.2	-171	0	0	0	0	109.6	L73 Y74	L73-T92 CarbonylContact C-O 3.48Å; L73-T92 WeakPolarHBondContact CA-O 3.32Å; Y74-T92 PolarHBondContact N-O 3.2Å; Y74-T92 PolarHBondContact O-N 2.95Å
93	S	97.1	Very high	89.6	Confident	82 Å²	82	92.3 Å²	92.3	57%	0.573	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	128.9	174.9	-171	0	0	0	0	109.3
94	V	96.1	Very high	91.3	Very high	41 Å²	41	83.4 Å²	83.4	25%	0.248	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.6	168.1	179.4	0	0	0	0	106.9	M63 T71 A72 Y74 V96	M63-V94 HydrophobicContact SD-CG1 4.46Å; T71-V94 WeakPolarHBondContact CA-O 3.31Å; A72-V94 PolarHBondContact N-O 3.02Å; A72-V94 VanDerWaalsContact N-O 3.08Å; A72-V94 PolarHBondContact O-N 3Å; Y74-V94 HydrophobicContact CD2-CB 3.95Å; Y74-V94 HydrophobicContact CD2-CG2 3.7Å; Y74-V94 HydrophobicContact CE2-CB 3.81Å; Y74-V94 HydrophobicContact CE2-CG2 3.99Å; V94-V96 HydrophobicContact CG1-CG2 4.26Å
95	T	95.8	Very high	92.3	Very high	108 Å²	108	85.4 Å²	85.4	66%	0.663	50%	0.499	S	S	*	.			trans	-122.2	125.9	178.5	-55.3	0	0	0	0	108.6	T71	T71-T95 HydrophobicContact CG2-CG2 4.28Å
96	V	93.2	Very high	92.9	Very high	28 Å²	28	87.9 Å²	87.9	17%	0.17	52%	0.518	C	S	.	.			trans	-119	117.5	179.4	-175.1	0	0	0	0	107.9	V66 R67 D70 T71 V94	V66-V96 HydrophobicContact CG1-CB 4.24Å; V66-V96 HydrophobicContact CG1-CG1 3.72Å; V66-V96 HydrophobicContact CG1-CG2 3.45Å; V66-V96 VanDerWaalsContact CG1-CG2 3.45Å; R67-V96 WeakPolarHBondContact O-CB 3.25Å; R67-V96 WeakPolarHBondContact O-CG1 3.22Å; D70-V96 HydrophobicContact CB-CG2 4.46Å; T71-V96 PolarHBondContact OG1-N 3.14Å; T71-V96 PolarHBondContact OG1-O 2.74Å; V94-V96 HydrophobicContact CG1-CG2 4.26Å
97	S	88.9	Confident	93.4	Very high	108 Å²	108	90.9 Å²	90.9	76%	0.755	54%	0.538	S	S	*	.			trans	-99.1	148	171.7	56.2	0	0	0	0	110.4
98	S	79.6	Confident	93.6	Very high	177 Å²	177	88.9 Å²	88.9	100%	1.238	55%	0.546	S	S	*	.			trans	-68.9	0	171.9	58.2	0	0	0	0	113.1

Retrieved 98 of 98 residues in 23.9 ms (Link to these results)

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