X5J4X1_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4X1, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 100 aa.

						>X5J4X1_MOUSE|X5J4X1
LTCSITGFPITSGYYWIWIRQSPGKPLEWMGYITHSGETFYNPSLQSPISITRETSKNQFFLQLNSVTTEDTAMYYCAGDGYGYWYFDVWGTGTTVTVSS
					

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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	L	93	Very high	90.1	Very high	59 Å²	59	56.2 Å²	56.2	31%	0.309	37%	0.37	S	S	.	.				0	141.1	0	-67.1	169.2	0	0	0	108.6	W18 F61 L62 Y75 T94 V96	L1-W18 HydrophobicContact CB-CH2 3.75Å; L1-W18 HydrophobicContact CB-CZ2 4.32Å; L1-W18 HydrophobicContact CB-CZ3 4.12Å; L1-W18 HydrophobicContact CD1-CZ3 4.45Å; L1-F61 CarbonylContact O-C 3.44Å; L1-F61 WeakPolarHBondContact O-CA 3.09Å; L1-L62 HydrophobicContact CB-CB 4.23Å; L1-L62 HydrophobicContact CD1-CD2 4.03Å; L1-L62 PolarHBondContact N-O 3.36Å; L1-L62 PolarHBondContact O-N 2.92Å; L1-Y75 HydrophobicContact CD1-CD1 3.59Å; L1-Y75 HydrophobicContact CD1-CD2 4Å; L1-Y75 HydrophobicContact CD1-CE1 4.25Å; L1-Y75 HydrophobicContact CD1-CG 3.42Å; L1-Y75 VanDerWaalsContact CD1-CG 3.42Å; L1-T94 HydrophobicContact CD2-CG2 3.95Å; L1-V96 HydrophobicContact CD1-CG2 4.19Å; L1-V96 HydrophobicContact CD2-CG2 3.86Å; L1-V96 HydrophobicContact CG-CG2 4.47Å
2	T	94.4	Very high	89.8	Confident	79 Å²	79	54.4 Å²	54.4	49%	0.485	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.7	-174.9	-55.8	0	0	0	0	109.3	Q59 F61	T2-Q59 HydrophobicContact CG2-CB 4.37Å; T2-Q59 HydrophobicContact CG2-CG 4.11Å; T2-F61 HydrophobicContact CG2-CD1 3.8Å; T2-F61 HydrophobicContact CG2-CE1 3.46Å; T2-F61 VanDerWaalsContact CG2-CE1 3.46Å; T2-F61 HydrophobicContact CG2-CZ 4.37Å; T2-F61 WeakPolarHBondContact OG1-CD1 3.32Å
3	C	92.9	Very high	89.4	Confident	8 Å²	8	51.1 Å²	51.1	5%	0.054	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.1	169.1	-173.9	0	0	0	0	109.3	W18 Q59 F60 C77	C3-W18 HydrophobicContact CB-CH2 4Å; C3-W18 HydrophobicContact CB-CZ2 3.93Å; C3-Q59 VanDerWaalsContact O-CA 3.3Å; C3-Q59 WeakPolarHBondContact O-CA 2.96Å; C3-F60 HydrophobicContact CB-CD1 3.87Å; C3-F60 HydrophobicContact CB-CE1 3.51Å; C3-F60 HydrophobicContact CB-CE2 4.32Å; C3-F60 HydrophobicContact CB-CG 4.44Å; C3-F60 HydrophobicContact CB-CZ 3.78Å; C3-F60 PolarHBondContact N-O 2.9Å; C3-F60 PolarHBondContact O-N 3Å; C3-F60 WeakPolarHBondContact SG-CE1 3.4Å; C3-C77 HydrophobicContact CB-CB 3.39Å; C3-C77 WeakPolarHBondContact CB-SG 3.39Å; C3-C77 WeakPolarHBondContact SG-CB 3.38Å; C3-C77 CovalentContact SG-SG 2.04Å; C3-C77 PolarHBondContact SG-SG 3.16Å
4	S	92.2	Very high	89.1	Confident	70 Å²	70	52.3 Å²	52.3	49%	0.49	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.6	177.1	-56.1	0	0	0	0	109.4	Q59	S4-Q59 WeakPolarHBondContact OG-CG 3.39Å; S4-Q59 PolarHBondContact OG-NE2 3.22Å
5	I	88.7	Confident	89.1	Confident	8 Å²	8	54.5 Å²	54.5	4%	0.041	34%	0.335	C	S	.	.			trans	-88.6	137.5	177	-64.8	152.6	0	0	0	108.4	F8 I10 W16 N58 F60 W90	I5-F8 HydrophobicContact CG2-CD2 4.27Å; I5-F8 HydrophobicContact CG2-CE2 4.41Å; I5-F8 WeakPolarHBondContact CG2-O 3.4Å; I5-I10 HydrophobicContact CD1-CB 3.67Å; I5-I10 HydrophobicContact CD1-CD1 3.69Å; I5-I10 HydrophobicContact CD1-CG1 3.44Å; I5-I10 VanDerWaalsContact CD1-CG1 3.44Å; I5-W16 HydrophobicContact CD1-CD2 3.69Å; I5-W16 HydrophobicContact CD1-CE3 3.54Å; I5-W16 HydrophobicContact CD1-CH2 3.48Å; I5-W16 VanDerWaalsContact CD1-CH2 3.48Å; I5-W16 HydrophobicContact CD1-CZ2 3.7Å; I5-W16 HydrophobicContact CD1-CZ3 3.43Å; I5-W16 VanDerWaalsContact CD1-CZ3 3.43Å; I5-W16 HydrophobicContact CG1-CE3 4.05Å; I5-W16 HydrophobicContact CG1-CH2 4Å; I5-W16 HydrophobicContact CG1-CZ3 3.69Å; I5-W16 HydrophobicContact CG2-CH2 4Å; I5-W16 HydrophobicContact CG2-CZ3 4.3Å; I5-N58 PolarHBondContact N-O 3.27Å; I5-N58 PolarHBondContact O-ND2 2.99Å; I5-F60 HydrophobicContact CD1-CD1 3.95Å; I5-F60 HydrophobicContact CD1-CE1 4.2Å; I5-F60 HydrophobicContact CG1-CD1 4.3Å; I5-F60 HydrophobicContact CG1-CE1 4.21Å; I5-W90 HydrophobicContact CG1-CZ3 4.31Å; I5-W90 HydrophobicContact CG2-CE3 4.43Å; I5-W90 HydrophobicContact CG2-CZ3 3.8Å
6	T	86.8	Confident	89.3	Confident	113 Å²	113	51.1 Å²	51.1	69%	0.693	31%	0.314	S	S	*	.			trans	-124	151.4	176.3	62.1	0	0	0	0	109.6	F8	T6-F8 VanDerWaalsContact C-N 3.33Å; T6-F8 PolarHBondContact O-N 2.89Å
7	G	84.4	Confident	89.5	Confident	84 Å²	84	48.2 Å²	48.2	87%	0.866	30%	0.297	S	S	*	.	S	Bend	trans	88.6	-23.6	178.5	0	0	0	0	0	115.8
8	F	86.8	Confident	89.7	Confident	58 Å²	58	45.9 Å²	45.9	25%	0.254	28%	0.282	S	S	.	.	S	Bend	trans	-160.8	162.5	178	45.9	-86.1	0	0	0	113.7	I5 T6 Y14 W16 N58 W90	I5-F8 HydrophobicContact CG2-CD2 4.27Å; I5-F8 HydrophobicContact CG2-CE2 4.41Å; I5-F8 WeakPolarHBondContact CG2-O 3.4Å; T6-F8 VanDerWaalsContact C-N 3.33Å; T6-F8 PolarHBondContact O-N 2.89Å; F8-Y14 HydrophobicContact CD2-CD2 4.03Å; F8-Y14 AromaticContact CD2-CE2 3.74Å; F8-Y14 HydrophobicContact CD2-CE2 3.74Å; F8-Y14 HydrophobicContact CE2-CD1 4.16Å; F8-Y14 AromaticContact CE2-CD2 3.46Å; F8-Y14 HydrophobicContact CE2-CD2 3.46Å; F8-Y14 VanDerWaalsContact CE2-CD2 3.46Å; F8-Y14 AromaticContact CE2-CE1 3.96Å; F8-Y14 HydrophobicContact CE2-CE1 3.96Å; F8-Y14 AromaticContact CE2-CE2 3.21Å; F8-Y14 HydrophobicContact CE2-CE2 3.21Å; F8-Y14 AromaticContact CE2-CG 3.96Å; F8-Y14 HydrophobicContact CE2-CG 3.96Å; F8-Y14 AromaticContact CE2-CZ 3.49Å; F8-Y14 VanDerWaalsContact CE2-CZ 3.49Å; F8-Y14 HydrophobicContact CZ-CD1 4.41Å; F8-Y14 HydrophobicContact CZ-CD2 4.33Å; F8-Y14 AromaticContact CZ-CE1 3.88Å; F8-Y14 HydrophobicContact CZ-CE1 3.88Å; F8-Y14 AromaticContact CZ-CE2 3.79Å; F8-Y14 HydrophobicContact CZ-CE2 3.79Å; F8-Y14 AromaticContact CZ-CZ 3.54Å; F8-W16 HydrophobicContact CD2-CH2 4.1Å; F8-W16 AromaticContact CE2-CH2 3.6Å; F8-W16 HydrophobicContact CE2-CH2 3.6Å; F8-W16 HydrophobicContact CE2-CZ3 4.36Å; F8-N58 PolarHBondContact O-ND2 3.5Å; F8-N58 PolarHBondContact O-OD1 2.8Å; F8-W90 HydrophobicContact CE1-CH2 4.01Å; F8-W90 HydrophobicContact CE1-CZ3 4.16Å; F8-W90 AromaticContact CE2-CH2 3.29Å; F8-W90 HydrophobicContact CE2-CH2 3.29Å; F8-W90 HydrophobicContact CE2-CZ2 4.32Å; F8-W90 AromaticContact CE2-CZ3 3.68Å; F8-W90 HydrophobicContact CE2-CZ3 3.68Å; F8-W90 AromaticContact CZ-CH2 2.93Å; F8-W90 HydrophobicContact CZ-CH2 2.93Å; F8-W90 AromaticContact CZ-CZ2 3.64Å; F8-W90 HydrophobicContact CZ-CZ2 3.64Å; F8-W90 AromaticContact CZ-CZ3 3.39Å; F8-W90 HydrophobicContact CZ-CZ3 3.39Å
9	P	90.3	Very high	89.9	Confident	70 Å²	70	44.4 Å²	44.4	46%	0.455	27%	0.271	S	S	.	.			trans	-64.4	146.3	177.4	-22.1	33.5	0	0	0	113.8	T11 S12 N58	P9-T11 PolarHBondContact O-N 3.1Å; P9-T11 VanDerWaalsContact O-N 3.15Å; P9-S12 WeakPolarHBondContact CD-OG 3.39Å; P9-S12 WeakPolarHBondContact O-CB 3.18Å; P9-S12 PolarHBondContact O-N 2.82Å; P9-S12 PolarHBondContact O-OG 3.12Å; P9-N58 WeakPolarHBondContact CA-OD1 3.36Å
10	I	90.4	Very high	90	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.9	173.5	-170.7	168	0	0	0	112.8	I5 W16 R53 T55 N58 Q59 F60	I5-I10 HydrophobicContact CD1-CB 3.67Å; I5-I10 HydrophobicContact CD1-CD1 3.69Å; I5-I10 HydrophobicContact CD1-CG1 3.44Å; I5-I10 VanDerWaalsContact CD1-CG1 3.44Å; I10-W16 HydrophobicContact CB-CZ2 4.37Å; I10-W16 HydrophobicContact CG1-CD2 4.27Å; I10-W16 HydrophobicContact CG1-CG 4.35Å; I10-W16 HydrophobicContact CG1-CZ2 4.12Å; I10-W16 WeakPolarHBondContact O-CZ2 3.36Å; I10-W16 PolarHBondContact O-NE1 3.12Å; I10-R53 HydrophobicContact CD1-CB 3.75Å; I10-T55 HydrophobicContact CG2-CG2 4.03Å; I10-N58 WeakPolarHBondContact CB-OD1 3.33Å; I10-N58 PolarHBondContact N-OD1 2.87Å; I10-Q59 VanDerWaalsContact CD1-C 3.47Å; I10-Q59 WeakPolarHBondContact CD1-O 3.36Å; I10-F60 HydrophobicContact CD1-CB 3.91Å; I10-F60 HydrophobicContact CD1-CD1 4.44Å
11	T	91.1	Very high	90.2	Very high	68 Å²	68	44.4 Å²	44.4	42%	0.417	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-3.4	172.1	53.3	0	0	0	0	112.8	P9 T55	P9-T11 PolarHBondContact O-N 3.1Å; P9-T11 VanDerWaalsContact O-N 3.15Å; T11-T55 HydrophobicContact CG2-CG2 3.73Å
12	S	86.1	Confident	90.1	Very high	35 Å²	35	42.3 Å²	42.3	25%	0.245	26%	0.255	C	S	.	.	S	Bend	trans	-60.1	143.5	165.6	-65.6	0	0	0	0	108.4	P9 Y14 H35	P9-S12 WeakPolarHBondContact CD-OG 3.39Å; P9-S12 WeakPolarHBondContact O-CB 3.18Å; P9-S12 PolarHBondContact O-N 2.82Å; P9-S12 PolarHBondContact O-OG 3.12Å; S12-Y14 PolarHBondContact O-N 2.94Å; S12-H35 WeakPolarHBondContact O-CB 3.37Å
13	G	84.7	Confident	90	Very high	11 Å²	11	43.6 Å²	43.6	11%	0.113	26%	0.264	C	S	.	.	S	Bend	trans	-72.3	58.6	-168.1	0	0	0	0	0	115.6	Y82	G13-Y82 WeakPolarHBondContact O-CD2 3.18Å; G13-Y82 VanDerWaalsContact O-CE2 3.22Å; G13-Y82 WeakPolarHBondContact O-CE2 3.46Å
14	Y	85.8	Confident	90	Very high	68 Å²	68	47.7 Å²	47.7	27%	0.267	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	162.4	172.4	-69.5	-100.5	0	0	0	109.9	F8 S12 W16 H35 D80 W90	F8-Y14 HydrophobicContact CD2-CD2 4.03Å; F8-Y14 AromaticContact CD2-CE2 3.74Å; F8-Y14 HydrophobicContact CD2-CE2 3.74Å; F8-Y14 HydrophobicContact CE2-CD1 4.16Å; F8-Y14 AromaticContact CE2-CD2 3.46Å; F8-Y14 HydrophobicContact CE2-CD2 3.46Å; F8-Y14 VanDerWaalsContact CE2-CD2 3.46Å; F8-Y14 AromaticContact CE2-CE1 3.96Å; F8-Y14 HydrophobicContact CE2-CE1 3.96Å; F8-Y14 AromaticContact CE2-CE2 3.21Å; F8-Y14 HydrophobicContact CE2-CE2 3.21Å; F8-Y14 AromaticContact CE2-CG 3.96Å; F8-Y14 HydrophobicContact CE2-CG 3.96Å; F8-Y14 AromaticContact CE2-CZ 3.49Å; F8-Y14 VanDerWaalsContact CE2-CZ 3.49Å; F8-Y14 HydrophobicContact CZ-CD1 4.41Å; F8-Y14 HydrophobicContact CZ-CD2 4.33Å; F8-Y14 AromaticContact CZ-CE1 3.88Å; F8-Y14 HydrophobicContact CZ-CE1 3.88Å; F8-Y14 AromaticContact CZ-CE2 3.79Å; F8-Y14 HydrophobicContact CZ-CE2 3.79Å; F8-Y14 AromaticContact CZ-CZ 3.54Å; S12-Y14 PolarHBondContact O-N 2.94Å; Y14-W16 HydrophobicContact CD2-CH2 4.23Å; Y14-W16 HydrophobicContact CD2-CZ2 4.39Å; Y14-W16 AromaticContact CG-CH2 3.99Å; Y14-W16 HydrophobicContact CG-CH2 3.99Å; Y14-W16 HydrophobicContact CG-CZ2 4.27Å; Y14-W16 HydrophobicContact CG-CZ3 4.46Å; Y14-H35 PolarHBondContact O-N 3.24Å; Y14-H35 VanDerWaalsContact O-N 3.15Å; Y14-D80 CarbonylContact C-O 3.58Å; Y14-D80 WeakPolarHBondContact CA-O 3.42Å; Y14-D80 WeakPolarHBondContact CB-O 3.49Å; Y14-D80 VanDerWaalsContact CD1-C 3.49Å; Y14-D80 WeakPolarHBondContact CD1-O 3.38Å; Y14-W90 AromaticContact CD1-CH2 4Å; Y14-W90 HydrophobicContact CD1-CH2 4Å; Y14-W90 HydrophobicContact CD1-CZ2 4.12Å; Y14-W90 HydrophobicContact CE1-CH2 4.16Å; Y14-W90 HydrophobicContact CE1-CZ2 4.1Å; Y14-W90 HydrophobicContact CG-CH2 4.5Å
15	Y	89.5	Confident	90	Very high	85 Å²	85	50.8 Å²	50.8	33%	0.333	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.2	161.8	-55.3	-76.8	0	0	0	109.3	Y32 T34 G79 D80	Y15-Y32 AromaticContact CD1-CD2 3.84Å; Y15-Y32 HydrophobicContact CD1-CD2 3.84Å; Y15-Y32 AromaticContact CD1-CE2 3.65Å; Y15-Y32 HydrophobicContact CD1-CE2 3.65Å; Y15-Y32 HydrophobicContact CE1-CE2 4.16Å; Y15-Y32 HydrophobicContact CG-CD2 4.43Å; Y15-T34 HydrophobicContact CD1-CG2 3.84Å; Y15-T34 HydrophobicContact CE1-CG2 3.82Å; Y15-G79 WeakPolarHBondContact O-CA 3.28Å; Y15-D80 HydrophobicContact CD2-CB 4.24Å; Y15-D80 PolarHBondContact N-O 2.9Å; Y15-D80 PolarHBondContact O-N 3.03Å; Y15-D80 VanDerWaalsContact O-N 3.09Å
16	W	91.4	Very high	90.1	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	108.7	-177.7	-51.9	114.1	0	0	0	109.9	I5 F8 I10 Y14 Y32 I33 F60 W90	I5-W16 HydrophobicContact CD1-CD2 3.69Å; I5-W16 HydrophobicContact CD1-CE3 3.54Å; I5-W16 HydrophobicContact CD1-CH2 3.48Å; I5-W16 VanDerWaalsContact CD1-CH2 3.48Å; I5-W16 HydrophobicContact CD1-CZ2 3.7Å; I5-W16 HydrophobicContact CD1-CZ3 3.43Å; I5-W16 VanDerWaalsContact CD1-CZ3 3.43Å; I5-W16 HydrophobicContact CG1-CE3 4.05Å; I5-W16 HydrophobicContact CG1-CH2 4Å; I5-W16 HydrophobicContact CG1-CZ3 3.69Å; I5-W16 HydrophobicContact CG2-CH2 4Å; I5-W16 HydrophobicContact CG2-CZ3 4.3Å; F8-W16 HydrophobicContact CD2-CH2 4.1Å; F8-W16 AromaticContact CE2-CH2 3.6Å; F8-W16 HydrophobicContact CE2-CH2 3.6Å; F8-W16 HydrophobicContact CE2-CZ3 4.36Å; I10-W16 HydrophobicContact CB-CZ2 4.37Å; I10-W16 HydrophobicContact CG1-CD2 4.27Å; I10-W16 HydrophobicContact CG1-CG 4.35Å; I10-W16 HydrophobicContact CG1-CZ2 4.12Å; I10-W16 WeakPolarHBondContact O-CZ2 3.36Å; I10-W16 PolarHBondContact O-NE1 3.12Å; Y14-W16 HydrophobicContact CD2-CH2 4.23Å; Y14-W16 HydrophobicContact CD2-CZ2 4.39Å; Y14-W16 AromaticContact CG-CH2 3.99Å; Y14-W16 HydrophobicContact CG-CH2 3.99Å; Y14-W16 HydrophobicContact CG-CZ2 4.27Å; Y14-W16 HydrophobicContact CG-CZ3 4.46Å; W16-Y32 CarbonylContact O-C 3.46Å; W16-Y32 WeakPolarHBondContact O-CA 3.25Å; W16-Y32 VanDerWaalsContact O-CB 3.29Å; W16-Y32 WeakPolarHBondContact O-CB 3.32Å; W16-I33 HydrophobicContact CB-CG2 3.71Å; W16-I33 WeakPolarHBondContact CB-O 3.48Å; W16-I33 VanDerWaalsContact CD1-O 3.23Å; W16-I33 HydrophobicContact CG-CG2 4.31Å; W16-I33 PolarHBondContact N-O 3.17Å; W16-I33 PolarHBondContact O-N 2.85Å; W16-F60 HydrophobicContact CB-CD1 4.06Å; W16-F60 HydrophobicContact CB-CD2 3.91Å; W16-F60 HydrophobicContact CB-CE1 3.99Å; W16-F60 HydrophobicContact CB-CE2 3.86Å; W16-F60 HydrophobicContact CB-CG 3.99Å; W16-F60 HydrophobicContact CB-CZ 3.86Å; W16-F60 HydrophobicContact CE3-CE1 4.17Å; W16-F60 HydrophobicContact CG-CD1 4.43Å; W16-W90 HydrophobicContact CE3-CH2 4.45Å; W16-W90 HydrophobicContact CE3-CZ3 4.38Å; W16-W90 AromaticContact CH2-CH2 3.78Å; W16-W90 HydrophobicContact CH2-CH2 3.78Å; W16-W90 AromaticContact CH2-CZ3 3.8Å; W16-W90 HydrophobicContact CH2-CZ3 3.8Å; W16-W90 HydrophobicContact CZ3-CE3 4.2Å; W16-W90 AromaticContact CZ3-CH2 3.33Å; W16-W90 HydrophobicContact CZ3-CH2 3.33Å; W16-W90 HydrophobicContact CZ3-CZ2 4.46Å; W16-W90 AromaticContact CZ3-CZ3 3.27Å; W16-W90 HydrophobicContact CZ3-CZ3 3.27Å
17	I	92.5	Very high	90.3	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.9	-159.8	-58.6	156.2	0	0	0	110.3	I19 C77 A78 D80 F87	I17-I19 HydrophobicContact CG2-CD1 4.43Å; I17-I19 HydrophobicContact CG2-CG1 3.95Å; I17-C77 WeakPolarHBondContact O-CA 3.5Å; I17-A78 HydrophobicContact CB-CB 4.3Å; I17-A78 PolarHBondContact N-O 3.23Å; I17-A78 PolarHBondContact O-N 2.82Å; I17-D80 HydrophobicContact CD1-CB 3.88Å; I17-F87 HydrophobicContact CD1-CD1 3.22Å; I17-F87 HydrophobicContact CD1-CE1 3.26Å; I17-F87 HydrophobicContact CD1-CG 4.39Å; I17-F87 HydrophobicContact CD1-CZ 4.43Å
18	W	93.8	Very high	90.6	Very high	7 Å²	7	53.5 Å²	53.5	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.4	167.6	-76.7	102.1	0	0	0	111	L1 C3 M30 G31 F60 L62 Y76 C77	L1-W18 HydrophobicContact CB-CH2 3.75Å; L1-W18 HydrophobicContact CB-CZ2 4.32Å; L1-W18 HydrophobicContact CB-CZ3 4.12Å; L1-W18 HydrophobicContact CD1-CZ3 4.45Å; C3-W18 HydrophobicContact CB-CH2 4Å; C3-W18 HydrophobicContact CB-CZ2 3.93Å; W18-M30 HydrophobicContact CB-CB 4.24Å; W18-M30 WeakPolarHBondContact O-CB 3.36Å; W18-M30 PolarHBondContact O-N 3.3Å; W18-G31 PolarHBondContact N-O 2.99Å; W18-F60 AromaticContact CD1-CD2 3.91Å; W18-F60 AromaticContact CD1-CE2 3.7Å; W18-F60 HydrophobicContact CD2-CE2 4.31Å; W18-F60 AromaticContact CE2-CD2 3.89Å; W18-F60 AromaticContact CE2-CE2 3.68Å; W18-F60 HydrophobicContact CG-CE2 4.33Å; W18-F60 HydrophobicContact CZ2-CD2 4.29Å; W18-F60 HydrophobicContact CZ2-CE2 4.18Å; W18-F60 AromaticContact NE1-CD2 3.21Å; W18-F60 AromaticContact NE1-CE2 3.27Å; W18-F60 VanDerWaalsContact NE1-CE2 3.27Å; W18-L62 HydrophobicContact CB-CD2 4.15Å; W18-L62 HydrophobicContact CD2-CB 3.56Å; W18-L62 HydrophobicContact CD2-CD2 3.86Å; W18-L62 HydrophobicContact CD2-CG 4.3Å; W18-L62 HydrophobicContact CE3-CB 4.17Å; W18-L62 HydrophobicContact CE3-CD2 3.94Å; W18-L62 HydrophobicContact CG-CB 3.82Å; W18-L62 HydrophobicContact CG-CD1 4.43Å; W18-L62 HydrophobicContact CG-CD2 3.95Å; W18-L62 HydrophobicContact CG-CG 4.3Å; W18-L62 HydrophobicContact CH2-CB 4.44Å; W18-L62 HydrophobicContact CZ2-CB 3.85Å; W18-Y76 VanDerWaalsContact CE3-O 3.29Å; W18-C77 HydrophobicContact CE3-CB 4.32Å; W18-C77 HydrophobicContact CH2-CB 4.2Å; W18-C77 HydrophobicContact CZ2-CB 4.49Å; W18-C77 HydrophobicContact CZ3-CB 4.11Å
19	I	93	Very high	90.9	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.082	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.3	179.2	-55	172.8	0	0	0	107.1	I17 L27 E28 Y75 Y76 A78	I17-I19 HydrophobicContact CG2-CD1 4.43Å; I17-I19 HydrophobicContact CG2-CG1 3.95Å; I19-L27 HydrophobicContact CG2-CB 3.83Å; I19-L27 HydrophobicContact CG2-CD2 3.64Å; I19-L27 HydrophobicContact CG2-CG 4.25Å; I19-E28 WeakPolarHBondContact CA-O 3.38Å; I19-E28 WeakPolarHBondContact CG2-O 3.27Å; I19-Y75 CarbonylContact O-C 3.55Å; I19-Y75 WeakPolarHBondContact O-CA 3.36Å; I19-Y76 PolarHBondContact N-O 2.67Å; I19-Y76 PolarHBondContact O-N 2.82Å; I19-A78 HydrophobicContact CD1-CB 4.12Å
20	R	92.9	Very high	91	Very high	20 Å²	20	51.5 Å²	51.5	8%	0.075	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	156.5	169.1	68.3	177.7	-175.7	-178.3	1.3	111.8	E28 M30 D71 A73 M74 Y75	R20-E28 HydrophobicContact CG-CB 4.16Å; R20-E28 IonicContact CZ-OE2 3.08Å; R20-E28 VanDerWaalsContact CZ-OE2 3.24Å; R20-E28 PolarHBondContact N-O 3.16Å; R20-E28 IonicContact NE-OE2 2.74Å; R20-E28 PolarHBondContact NE-OE2 2.93Å; R20-E28 IonicContact NH2-OE1 2.88Å; R20-E28 IonicContact NH2-OE2 2.76Å; R20-E28 PolarHBondContact NH2-OE2 2.92Å; R20-E28 PolarHBondContact O-N 3.36Å; R20-M30 HydrophobicContact CB-CG 4.24Å; R20-M30 HydrophobicContact CB-SD 3.65Å; R20-M30 HydrophobicContact CG-CG 3.87Å; R20-M30 HydrophobicContact CG-SD 3.74Å; R20-D71 IonicContact NH1-OD1 3.59Å; R20-D71 PolarHBondContact NH1-OD1 2.86Å; R20-D71 VanDerWaalsContact NH1-OD1 3.08Å; R20-A73 HydrophobicContact CB-CB 4.15Å; R20-M74 CarbonylContact C-O 3.46Å; R20-M74 VanDerWaalsContact CA-O 3.25Å; R20-M74 WeakPolarHBondContact CA-O 3.22Å; R20-Y75 HydrophobicContact CB-CD1 3.94Å; R20-Y75 HydrophobicContact CB-CE1 3.92Å; R20-Y75 HydrophobicContact CB-CG 4.43Å
21	Q	92.8	Very high	91.2	Very high	70 Å²	70	51.4 Å²	51.4	33%	0.327	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	105	173.6	-169.7	179.5	21.7	0	0	109.3	K25 L27 A73 M74 Y76	Q21-K25 WeakPolarHBondContact CG-O 3.39Å; Q21-L27 HydrophobicContact CB-CD2 3.89Å; Q21-L27 HydrophobicContact CG-CD2 4.33Å; Q21-A73 WeakPolarHBondContact O-CA 3.35Å; Q21-A73 WeakPolarHBondContact O-CB 3.46Å; Q21-M74 HydrophobicContact CB-CB 4.48Å; Q21-M74 PolarHBondContact N-O 3.46Å; Q21-M74 PolarHBondContact O-N 3.37Å; Q21-Y76 HydrophobicContact CB-CE2 3.81Å; Q21-Y76 PolarHBondContact OE1-OH 3.18Å
22	S	92.6	Very high	91.3	Very high	15 Å²	15	50.9 Å²	50.9	11%	0.105	28%	0.278	C	S	.	.			trans	-70.4	153.9	170.6	-51.7	0	0	0	0	110.4	G24 K25	S22-G24 PolarHBondContact O-N 2.77Å; S22-K25 PolarHBondContact O-N 2.78Å
23	P	92.4	Very high	91.7	Very high	105 Å²	105	49.4 Å²	49.4	68%	0.682	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	125.4	176.6	-26.6	34.5	0	0	0	112.3	K25 T72	P23-K25 PolarHBondContact O-N 3.05Å; P23-T72 WeakPolarHBondContact CD-O 3.35Å
24	G	92.3	Very high	92.1	Very high	94 Å²	94	49.1 Å²	49.1	97%	0.969	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	7.3	179.7	0	0	0	0	0	115.7	S22	S22-G24 PolarHBondContact O-N 2.77Å
25	K	91.5	Very high	92.2	Very high	135 Å²	135	48.7 Å²	48.7	59%	0.587	26%	0.264	S	S	*	.	S	Bend	trans	-109.4	156.9	177.9	-65.9	-164.2	-175.7	175.6	0	111.9	Q21 S22 P23	Q21-K25 WeakPolarHBondContact CG-O 3.39Å; S22-K25 PolarHBondContact O-N 2.78Å; P23-K25 PolarHBondContact O-N 3.05Å
26	P	91.3	Very high	92.3	Very high	106 Å²	106	47.9 Å²	47.9	69%	0.688	27%	0.271	S	S	*	.			trans	-65.4	170	171.1	29.6	-36.3	0	0	0	111.6	E28	P26-E28 PolarHBondContact O-N 3.16Å
27	L	91.1	Very high	92.3	Very high	101 Å²	101	49.2 Å²	49.2	53%	0.529	29%	0.285	S	S	.	.			trans	-63.2	132.2	170.1	-70.3	166.4	0	0	0	110.1	I19 Q21 Y76	I19-L27 HydrophobicContact CG2-CB 3.83Å; I19-L27 HydrophobicContact CG2-CD2 3.64Å; I19-L27 HydrophobicContact CG2-CG 4.25Å; Q21-L27 HydrophobicContact CB-CD2 3.89Å; Q21-L27 HydrophobicContact CG-CD2 4.33Å; L27-Y76 HydrophobicContact CD2-CD2 3.92Å; L27-Y76 HydrophobicContact CD2-CE2 3.77Å
28	E	91.5	Very high	92.4	Very high	55 Å²	55	54.7 Å²	54.7	26%	0.257	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.4	177.6	-175	-178.5	-164	0	0	109.1	I19 R20 P26 M30	I19-E28 WeakPolarHBondContact CA-O 3.38Å; I19-E28 WeakPolarHBondContact CG2-O 3.27Å; R20-E28 HydrophobicContact CG-CB 4.16Å; R20-E28 IonicContact CZ-OE2 3.08Å; R20-E28 VanDerWaalsContact CZ-OE2 3.24Å; R20-E28 PolarHBondContact N-O 3.16Å; R20-E28 IonicContact NE-OE2 2.74Å; R20-E28 PolarHBondContact NE-OE2 2.93Å; R20-E28 IonicContact NH2-OE1 2.88Å; R20-E28 IonicContact NH2-OE2 2.76Å; R20-E28 PolarHBondContact NH2-OE2 2.92Å; R20-E28 PolarHBondContact O-N 3.36Å; P26-E28 PolarHBondContact O-N 3.16Å; E28-M30 PolarHBondContact O-N 3.09Å
29	W	91.9	Very high	92.4	Very high	86 Å²	86	56.8 Å²	56.8	33%	0.326	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	130.5	171.7	171.1	71.7	0	0	0	109.8	G31 Y32 N42	W29-G31 VanDerWaalsContact CE2-CA 3.5Å; W29-G31 VanDerWaalsContact CZ2-CA 3.44Å; W29-G31 PolarHBondContact NE1-O 3Å; W29-Y32 AromaticContact CZ2-CD1 3.59Å; W29-Y32 HydrophobicContact CZ2-CD1 3.59Å; W29-Y32 AromaticContact CZ2-CE1 3.95Å; W29-Y32 HydrophobicContact CZ2-CE1 3.95Å; W29-Y32 AromaticContact NE1-CD1 3.96Å; W29-N42 HydrophobicContact CD2-CB 4.32Å; W29-N42 HydrophobicContact CE3-CB 3.46Å; W29-N42 VanDerWaalsContact CE3-CB 3.46Å; W29-N42 HydrophobicContact CH2-CB 4.28Å; W29-N42 HydrophobicContact CZ3-CB 3.46Å; W29-N42 VanDerWaalsContact CZ3-CB 3.46Å; W29-N42 VanDerWaalsContact O-CB 3.31Å; W29-N42 WeakPolarHBondContact O-CB 3.45Å; W29-N42 PolarHBondContact O-ND2 3.3Å
30	M	93.4	Very high	92.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-38.3	-178.5	-61.1	-172.5	68.9	0	0	112.5	W18 R20 E28 N42 L45 I49 L62 L64 Y75	W18-M30 HydrophobicContact CB-CB 4.24Å; W18-M30 WeakPolarHBondContact O-CB 3.36Å; W18-M30 PolarHBondContact O-N 3.3Å; R20-M30 HydrophobicContact CB-CG 4.24Å; R20-M30 HydrophobicContact CB-SD 3.65Å; R20-M30 HydrophobicContact CG-CG 3.87Å; R20-M30 HydrophobicContact CG-SD 3.74Å; E28-M30 PolarHBondContact O-N 3.09Å; M30-N42 WeakPolarHBondContact O-CB 3.31Å; M30-N42 PolarHBondContact O-N 3.36Å; M30-L45 HydrophobicContact CB-CD1 3.98Å; M30-L45 HydrophobicContact CE-CD1 4.46Å; M30-L45 HydrophobicContact CE-CD2 4.22Å; M30-L45 HydrophobicContact CG-CD2 4.3Å; M30-L45 WeakPolarHBondContact O-CD1 3.13Å; M30-I49 HydrophobicContact CB-CD1 3.95Å; M30-I49 HydrophobicContact CE-CD1 4.03Å; M30-I49 HydrophobicContact CE-CG2 3.84Å; M30-L62 HydrophobicContact CE-CD1 4.47Å; M30-L62 HydrophobicContact CE-CD2 4.04Å; M30-L62 HydrophobicContact SD-CD2 3.88Å; M30-L64 HydrophobicContact CE-CD2 4.07Å; M30-Y75 HydrophobicContact CE-CE1 3.9Å; M30-Y75 HydrophobicContact SD-CD1 3.78Å; M30-Y75 HydrophobicContact SD-CE1 3.61Å
31	G	93.9	Very high	92.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.4	173.3	-172.7	0	0	0	0	0	111.4	W18 W29 F40 I51	W18-G31 PolarHBondContact N-O 2.99Å; W29-G31 VanDerWaalsContact CE2-CA 3.5Å; W29-G31 VanDerWaalsContact CZ2-CA 3.44Å; W29-G31 PolarHBondContact NE1-O 3Å; G31-F40 CarbonylContact C-O 3.47Å; G31-F40 WeakPolarHBondContact CA-O 3.38Å; G31-I51 VanDerWaalsContact C-CD1 3.48Å
32	Y	93.6	Very high	92.4	Very high	56 Å²	56	62 Å²	62	22%	0.22	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	161.6	171.5	67.2	-99.8	0	0	0	112.1	Y15 W16 W29 T34 T39 F40	Y15-Y32 AromaticContact CD1-CD2 3.84Å; Y15-Y32 HydrophobicContact CD1-CD2 3.84Å; Y15-Y32 AromaticContact CD1-CE2 3.65Å; Y15-Y32 HydrophobicContact CD1-CE2 3.65Å; Y15-Y32 HydrophobicContact CE1-CE2 4.16Å; Y15-Y32 HydrophobicContact CG-CD2 4.43Å; W16-Y32 CarbonylContact O-C 3.46Å; W16-Y32 WeakPolarHBondContact O-CA 3.25Å; W16-Y32 VanDerWaalsContact O-CB 3.29Å; W16-Y32 WeakPolarHBondContact O-CB 3.32Å; W29-Y32 AromaticContact CZ2-CD1 3.59Å; W29-Y32 HydrophobicContact CZ2-CD1 3.59Å; W29-Y32 AromaticContact CZ2-CE1 3.95Å; W29-Y32 HydrophobicContact CZ2-CE1 3.95Å; W29-Y32 AromaticContact NE1-CD1 3.96Å; Y32-T34 HydrophobicContact CD2-CG2 4.19Å; Y32-T34 HydrophobicContact CE2-CG2 3.73Å; Y32-T39 WeakPolarHBondContact O-CA 3.04Å; Y32-F40 HydrophobicContact CD1-CB 4.17Å; Y32-F40 HydrophobicContact CD2-CD2 4.32Å; Y32-F40 HydrophobicContact CE1-CB 3.67Å; Y32-F40 HydrophobicContact CE1-CD2 4.38Å; Y32-F40 HydrophobicContact CE1-CG 4.19Å; Y32-F40 HydrophobicContact CE2-CB 4.05Å; Y32-F40 AromaticContact CE2-CD2 3.41Å; Y32-F40 HydrophobicContact CE2-CD2 3.41Å; Y32-F40 VanDerWaalsContact CE2-CD2 3.41Å; Y32-F40 HydrophobicContact CE2-CE2 4.19Å; Y32-F40 HydrophobicContact CE2-CG 4.03Å; Y32-F40 AromaticContact CZ-CD2 3.44Å; Y32-F40 VanDerWaalsContact CZ-CD2 3.44Å; Y32-F40 AromaticContact CZ-CG 3.64Å; Y32-F40 PolarHBondContact N-O 3.17Å; Y32-F40 PolarHBondContact O-N 3.06Å; Y32-F40 VanDerWaalsContact OH-CD2 3.27Å; Y32-F40 WeakPolarHBondContact OH-CD2 3.33Å; Y32-F40 WeakPolarHBondContact OH-CG 2.95Å
33	I	94.6	Very high	92.2	Very high	5 Å²	5	67.2 Å²	67.2	3%	0.026	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.9	166.4	-172.8	166.6	0	0	0	109.6	W16 E38 T39 I51 R53 F60	W16-I33 HydrophobicContact CB-CG2 3.71Å; W16-I33 WeakPolarHBondContact CB-O 3.48Å; W16-I33 VanDerWaalsContact CD1-O 3.23Å; W16-I33 HydrophobicContact CG-CG2 4.31Å; W16-I33 PolarHBondContact N-O 3.17Å; W16-I33 PolarHBondContact O-N 2.85Å; I33-E38 CarbonylContact C-O 3.52Å; I33-E38 VanDerWaalsContact CA-O 3.28Å; I33-E38 WeakPolarHBondContact CA-O 3.48Å; I33-T39 HydrophobicContact CB-CG2 4.11Å; I33-T39 HydrophobicContact CD1-CG2 3.88Å; I33-T39 HydrophobicContact CG1-CG2 3.9Å; I33-I51 HydrophobicContact CB-CG2 3.75Å; I33-I51 HydrophobicContact CG2-CG2 3.64Å; I33-R53 HydrophobicContact CD1-CB 4.07Å; I33-R53 HydrophobicContact CD1-CG 3.78Å; I33-F60 HydrophobicContact CG2-CB 4.31Å; I33-F60 HydrophobicContact CG2-CD2 4.41Å
34	T	92.1	Very high	91.9	Very high	5 Å²	5	66.4 Å²	66.4	3%	0.031	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	166.1	179.6	68.8	0	0	0	0	111.2	Y15 Y32 S36 G37 E38 R53	Y15-T34 HydrophobicContact CD1-CG2 3.84Å; Y15-T34 HydrophobicContact CE1-CG2 3.82Å; Y32-T34 HydrophobicContact CD2-CG2 4.19Å; Y32-T34 HydrophobicContact CE2-CG2 3.73Å; T34-S36 PolarHBondContact O-N 2.94Å; T34-S36 PolarHBondContact OG1-N 3.43Å; T34-S36 VanDerWaalsContact OG1-N 3.15Å; T34-S36 PolarHBondContact OG1-OG 3.28Å; T34-G37 WeakPolarHBondContact O-CA 3.45Å; T34-G37 PolarHBondContact O-N 2.9Å; T34-G37 PolarHBondContact OG1-N 2.78Å; T34-E38 HydrophobicContact CG2-CB 4.01Å; T34-E38 PolarHBondContact N-O 3.5Å; T34-E38 PolarHBondContact OG1-N 2.74Å; T34-R53 PolarHBondContact O-NH1 3.19Å
35	H	89	Confident	91.5	Very high	59 Å²	59	63.2 Å²	63.2	27%	0.273	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-22	165.8	72	-85.7	0	0	0	114.5	S12 Y14 R53	S12-H35 WeakPolarHBondContact O-CB 3.37Å; Y14-H35 PolarHBondContact O-N 3.24Å; Y14-H35 VanDerWaalsContact O-N 3.15Å; H35-R53 VanDerWaalsContact O-CZ 3.24Å; H35-R53 PolarHBondContact O-NH1 3.17Å; H35-R53 PolarHBondContact O-NH2 3.08Å
36	S	91.1	Very high	90.6	Very high	67 Å²	67	64.4 Å²	64.4	47%	0.469	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-15.3	171.5	56.4	0	0	0	0	112.6	T34 R53	T34-S36 PolarHBondContact O-N 2.94Å; T34-S36 PolarHBondContact OG1-N 3.43Å; T34-S36 VanDerWaalsContact OG1-N 3.15Å; T34-S36 PolarHBondContact OG1-OG 3.28Å; S36-R53 PolarHBondContact O-NH2 3.23Å; S36-R53 VanDerWaalsContact O-NH2 3.16Å
37	G	91.3	Very high	90	Very high	30 Å²	30	60 Å²	60	31%	0.309	32%	0.316	S	S	.	.			trans	96.8	7.7	179.1	0	0	0	0	0	113.9	T34	T34-G37 WeakPolarHBondContact O-CA 3.45Å; T34-G37 PolarHBondContact O-N 2.9Å; T34-G37 PolarHBondContact OG1-N 2.78Å
38	E	93.6	Very high	89.7	Confident	116 Å²	116	58.6 Å²	58.6	54%	0.542	31%	0.313	S	S	.	.			trans	-73.8	138.2	173.8	-64.3	175.2	149	0	0	109.9	I33 T34 F40	I33-E38 CarbonylContact C-O 3.52Å; I33-E38 VanDerWaalsContact CA-O 3.28Å; I33-E38 WeakPolarHBondContact CA-O 3.48Å; T34-E38 HydrophobicContact CG2-CB 4.01Å; T34-E38 PolarHBondContact N-O 3.5Å; T34-E38 PolarHBondContact OG1-N 2.74Å; E38-F40 HydrophobicContact CB-CE2 4.16Å
39	T	95.3	Very high	89.8	Confident	52 Å²	52	57 Å²	57	32%	0.319	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.4	-177.9	56.9	0	0	0	0	111.2	Y32 I33 Y41 I51	Y32-T39 WeakPolarHBondContact O-CA 3.04Å; I33-T39 HydrophobicContact CB-CG2 4.11Å; I33-T39 HydrophobicContact CD1-CG2 3.88Å; I33-T39 HydrophobicContact CG1-CG2 3.9Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.44Å; T39-I51 HydrophobicContact CG2-CB 4.47Å; T39-I51 WeakPolarHBondContact CG2-O 3.48Å
40	F	93.6	Very high	89.9	Confident	97 Å²	97	54.4 Å²	54.4	43%	0.425	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.2	172.5	-70.1	-96	0	0	0	109.6	G31 Y32 E38	G31-F40 CarbonylContact C-O 3.47Å; G31-F40 WeakPolarHBondContact CA-O 3.38Å; Y32-F40 HydrophobicContact CD1-CB 4.17Å; Y32-F40 HydrophobicContact CD2-CD2 4.32Å; Y32-F40 HydrophobicContact CE1-CB 3.67Å; Y32-F40 HydrophobicContact CE1-CD2 4.38Å; Y32-F40 HydrophobicContact CE1-CG 4.19Å; Y32-F40 HydrophobicContact CE2-CB 4.05Å; Y32-F40 AromaticContact CE2-CD2 3.41Å; Y32-F40 HydrophobicContact CE2-CD2 3.41Å; Y32-F40 VanDerWaalsContact CE2-CD2 3.41Å; Y32-F40 HydrophobicContact CE2-CE2 4.19Å; Y32-F40 HydrophobicContact CE2-CG 4.03Å; Y32-F40 AromaticContact CZ-CD2 3.44Å; Y32-F40 VanDerWaalsContact CZ-CD2 3.44Å; Y32-F40 AromaticContact CZ-CG 3.64Å; Y32-F40 PolarHBondContact N-O 3.17Å; Y32-F40 PolarHBondContact O-N 3.06Å; Y32-F40 VanDerWaalsContact OH-CD2 3.27Å; Y32-F40 WeakPolarHBondContact OH-CD2 3.33Å; Y32-F40 WeakPolarHBondContact OH-CG 2.95Å; E38-F40 HydrophobicContact CB-CE2 4.16Å
41	Y	93.6	Very high	90	Very high	92 Å²	92	54.6 Å²	54.6	36%	0.361	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.6	-174.6	-59.3	-78.6	0	0	0	110.4	T39 P43 I49 I51	T39-Y41 WeakPolarHBondContact OG1-CE2 3.44Å; Y41-P43 WeakPolarHBondContact O-CD 3.38Å; Y41-I49 HydrophobicContact CD1-CD1 3.91Å; Y41-I49 HydrophobicContact CD1-CG1 3.7Å; Y41-I49 HydrophobicContact CE1-CD1 4.37Å; Y41-I49 HydrophobicContact CE1-CG1 3.97Å; Y41-I51 HydrophobicContact CD1-CD1 4.36Å; Y41-I51 HydrophobicContact CE1-CB 4.35Å; Y41-I51 HydrophobicContact CE1-CD1 4.13Å; Y41-I51 HydrophobicContact CE1-CG1 3.98Å; Y41-I51 PolarHBondContact OH-N 2.9Å
42	N	91.9	Very high	90.1	Very high	27 Å²	27	57.5 Å²	57.5	14%	0.144	32%	0.319	C	S	.	.			trans	-72.4	119	171.8	-176.5	-12.3	0	0	0	110.1	W29 M30 S44 L45	W29-N42 HydrophobicContact CD2-CB 4.32Å; W29-N42 HydrophobicContact CE3-CB 3.46Å; W29-N42 VanDerWaalsContact CE3-CB 3.46Å; W29-N42 HydrophobicContact CH2-CB 4.28Å; W29-N42 HydrophobicContact CZ3-CB 3.46Å; W29-N42 VanDerWaalsContact CZ3-CB 3.46Å; W29-N42 VanDerWaalsContact O-CB 3.31Å; W29-N42 WeakPolarHBondContact O-CB 3.45Å; W29-N42 PolarHBondContact O-ND2 3.3Å; M30-N42 WeakPolarHBondContact O-CB 3.31Å; M30-N42 PolarHBondContact O-N 3.36Å; N42-S44 PolarHBondContact O-N 3.41Å; N42-S44 WeakPolarHBondContact OD1-CB 3.08Å; N42-S44 PolarHBondContact OD1-N 3.48Å; N42-L45 HydrophobicContact CB-CD1 4.04Å; N42-L45 HydrophobicContact CB-CG 3.98Å; N42-L45 WeakPolarHBondContact O-CB 3Å; N42-L45 PolarHBondContact O-N 2.76Å; N42-L45 VanDerWaalsContact O-N 3.17Å
43	P	88.3	Confident	90.2	Very high	123 Å²	123	57.9 Å²	57.9	80%	0.799	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.4	-179.4	28.3	-36.2	0	0	0	113.5	Y41 L45	Y41-P43 WeakPolarHBondContact O-CD 3.38Å; P43-L45 VanDerWaalsContact C-N 3.32Å
44	S	85.9	Confident	90.2	Very high	89 Å²	89	60.6 Å²	60.6	62%	0.622	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.7	177.6	-57.9	0	0	0	0	113.8	N42 Q46	N42-S44 PolarHBondContact O-N 3.41Å; N42-S44 WeakPolarHBondContact OD1-CB 3.08Å; N42-S44 PolarHBondContact OD1-N 3.48Å; S44-Q46 PolarHBondContact O-N 2.84Å
45	L	84.1	Confident	90.2	Very high	26 Å²	26	64 Å²	64	14%	0.136	35%	0.354	C	S	.	.			trans	-68.6	125.7	174.5	-77.5	170.7	0	0	0	110.8	M30 N42 P43 I49	M30-L45 HydrophobicContact CB-CD1 3.98Å; M30-L45 HydrophobicContact CE-CD1 4.46Å; M30-L45 HydrophobicContact CE-CD2 4.22Å; M30-L45 HydrophobicContact CG-CD2 4.3Å; M30-L45 WeakPolarHBondContact O-CD1 3.13Å; N42-L45 HydrophobicContact CB-CD1 4.04Å; N42-L45 HydrophobicContact CB-CG 3.98Å; N42-L45 WeakPolarHBondContact O-CB 3Å; N42-L45 PolarHBondContact O-N 2.76Å; N42-L45 VanDerWaalsContact O-N 3.17Å; P43-L45 VanDerWaalsContact C-N 3.32Å; L45-I49 HydrophobicContact CD1-CD1 3.5Å; L45-I49 HydrophobicContact CD1-CG1 4.11Å
46	Q	72.4	Confident	90.4	Very high	160 Å²	160	66.1 Å²	66.1	75%	0.748	38%	0.376	S	S	*	.	S	Bend	trans	-78	-32.8	175.8	-62.3	-174.3	34.2	0	0	112.4	S44	S44-Q46 PolarHBondContact O-N 2.84Å
47	S	77.6	Confident	90.5	Very high	13 Å²	13	68.4 Å²	68.4	9%	0.091	38%	0.377	C	S	.	.	S	Bend	trans	-92.1	132.7	-177.7	-56.4	0	0	0	0	111.3	I49 D71	S47-I49 PolarHBondContact O-N 3.4Å; S47-D71 WeakPolarHBondContact CB-OD1 3.47Å; S47-D71 PolarHBondContact OG-OD1 2.8Å; S47-D71 PolarHBondContact OG-OD2 2.89Å; S47-D71 VanDerWaalsContact OG-OD2 3.05Å
48	P	86.1	Confident	90.6	Very high	73 Å²	73	68.7 Å²	68.7	47%	0.474	37%	0.372	S	S	.	.			trans	-67.5	130.8	175.9	23.3	-25.9	0	0	0	110.2	N65	P48-N65 HydrophobicContact CB-CB 4.25Å; P48-N65 WeakPolarHBondContact CD-O 3.39Å; P48-N65 HydrophobicContact CG-CB 4.1Å; P48-N65 WeakPolarHBondContact CG-O 3.29Å; P48-N65 WeakPolarHBondContact O-CA 3.36Å; P48-N65 WeakPolarHBondContact O-CB 3.1Å; P48-N65 PolarHBondContact O-N 2.9Å; P48-N65 VanDerWaalsContact O-O 3.1Å
49	I	92.7	Very high	90.6	Very high	21 Å²	21	65.2 Å²	65.2	11%	0.108	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	159.2	177.2	65.2	170.3	0	0	0	110.5	M30 Y41 L45 S47 I51 L62 Q63 L64	M30-I49 HydrophobicContact CB-CD1 3.95Å; M30-I49 HydrophobicContact CE-CD1 4.03Å; M30-I49 HydrophobicContact CE-CG2 3.84Å; Y41-I49 HydrophobicContact CD1-CD1 3.91Å; Y41-I49 HydrophobicContact CD1-CG1 3.7Å; Y41-I49 HydrophobicContact CE1-CD1 4.37Å; Y41-I49 HydrophobicContact CE1-CG1 3.97Å; L45-I49 HydrophobicContact CD1-CD1 3.5Å; L45-I49 HydrophobicContact CD1-CG1 4.11Å; S47-I49 PolarHBondContact O-N 3.4Å; I49-I51 HydrophobicContact CD1-CD1 4.43Å; I49-L62 HydrophobicContact CB-CD1 3.83Å; I49-L62 HydrophobicContact CD1-CD1 3.88Å; I49-L62 HydrophobicContact CG1-CD1 4.36Å; I49-L62 HydrophobicContact CG2-CD1 4.23Å; I49-Q63 CarbonylContact C-O 3.42Å; I49-Q63 VanDerWaalsContact CA-O 3.31Å; I49-Q63 WeakPolarHBondContact CA-O 3.43Å; I49-L64 HydrophobicContact CG2-CD2 3.71Å
50	S	94.9	Very high	90.6	Very high	31 Å²	31	62.8 Å²	62.8	22%	0.217	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.9	170	176.1	0	0	0	0	109.3	Q63	S50-Q63 PolarHBondContact N-O 3.01Å; S50-Q63 PolarHBondContact O-N 2.91Å
51	I	95.6	Very high	90.7	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.5	176.5	-59.5	171.7	0	0	0	107.9	G31 I33 T39 Y41 I49 F61 L62	G31-I51 VanDerWaalsContact C-CD1 3.48Å; I33-I51 HydrophobicContact CB-CG2 3.75Å; I33-I51 HydrophobicContact CG2-CG2 3.64Å; T39-I51 HydrophobicContact CG2-CB 4.47Å; T39-I51 WeakPolarHBondContact CG2-O 3.48Å; Y41-I51 HydrophobicContact CD1-CD1 4.36Å; Y41-I51 HydrophobicContact CE1-CB 4.35Å; Y41-I51 HydrophobicContact CE1-CD1 4.13Å; Y41-I51 HydrophobicContact CE1-CG1 3.98Å; Y41-I51 PolarHBondContact OH-N 2.9Å; I49-I51 HydrophobicContact CD1-CD1 4.43Å; I51-F61 VanDerWaalsContact CA-O 3.32Å; I51-F61 WeakPolarHBondContact CA-O 3.49Å; I51-L62 HydrophobicContact CG1-CD1 4.01Å
52	T	95.4	Very high	90.8	Very high	61 Å²	61	55.9 Å²	55.9	37%	0.374	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	167.2	-178.9	63.5	0	0	0	0	110.9	F60 F61	T52-F60 CarbonylContact O-C 3.54Å; T52-F60 VanDerWaalsContact O-CA 3.28Å; T52-F60 WeakPolarHBondContact O-CA 3.2Å; T52-F60 WeakPolarHBondContact O-CB 3.16Å; T52-F61 PolarHBondContact N-O 2.78Å; T52-F61 PolarHBondContact O-N 3.4Å
53	R	94.5	Very high	90.9	Very high	65 Å²	65	59.8 Å²	59.8	25%	0.245	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.4	177.3	68.3	179.5	-174	163.2	-1.6	112.5	I10 I33 T34 H35 S36 Q59 F60	I10-R53 HydrophobicContact CD1-CB 3.75Å; I33-R53 HydrophobicContact CD1-CB 4.07Å; I33-R53 HydrophobicContact CD1-CG 3.78Å; T34-R53 PolarHBondContact O-NH1 3.19Å; H35-R53 VanDerWaalsContact O-CZ 3.24Å; H35-R53 PolarHBondContact O-NH1 3.17Å; H35-R53 PolarHBondContact O-NH2 3.08Å; S36-R53 PolarHBondContact O-NH2 3.23Å; S36-R53 VanDerWaalsContact O-NH2 3.16Å; R53-Q59 WeakPolarHBondContact CA-O 3.3Å; R53-F60 HydrophobicContact CB-CB 4.16Å
54	E	94.5	Very high	91	Very high	62 Å²	62	55.5 Å²	55.5	29%	0.29	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	100.1	173.3	-175.6	171.8	-173.1	0	0	109.4	S56 K57 N58 Q59 F61	E54-S56 VanDerWaalsContact C-N 3.31Å; E54-S56 WeakPolarHBondContact CG-OG 3.44Å; E54-S56 PolarHBondContact O-N 3.09Å; E54-S56 PolarHBondContact OE1-OG 2.86Å; E54-K57 HydrophobicContact CG-CB 4.21Å; E54-K57 HydrophobicContact CG-CD 4.4Å; E54-K57 HydrophobicContact CG-CG 4.08Å; E54-K57 PolarHBondContact O-N 2.96Å; E54-K57 WeakPolarHBondContact OE1-CE 3.4Å; E54-K57 IonicContact OE1-NZ 2.84Å; E54-K57 PolarHBondContact OE1-NZ 2.94Å; E54-K57 VanDerWaalsContact OE2-CD 3.29Å; E54-K57 WeakPolarHBondContact OE2-CD 3.44Å; E54-K57 WeakPolarHBondContact OE2-CE 3.45Å; E54-K57 IonicContact OE2-NZ 3.24Å; E54-K57 PolarHBondContact OE2-NZ 2.87Å; E54-N58 PolarHBondContact O-N 3.05Å; E54-N58 VanDerWaalsContact O-N 3.16Å; E54-Q59 PolarHBondContact N-O 3.35Å; E54-Q59 PolarHBondContact O-N 2.87Å; E54-F61 HydrophobicContact CB-CE2 3.63Å; E54-F61 HydrophobicContact CB-CZ 4.14Å
55	T	92.9	Very high	91	Very high	75 Å²	75	53.9 Å²	53.9	46%	0.46	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.1	-38.1	-175	-52.8	0	0	0	0	113	I10 T11 K57 N58	I10-T55 HydrophobicContact CG2-CG2 4.03Å; T11-T55 HydrophobicContact CG2-CG2 3.73Å; T55-K57 PolarHBondContact O-N 2.04Å; T55-N58 PolarHBondContact O-N 3.03Å
56	S	92.6	Very high	91	Very high	105 Å²	105	57.4 Å²	57.4	73%	0.734	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-62	-28.7	179.8	54.3	0	0	0	0	113.3	E54	E54-S56 VanDerWaalsContact C-N 3.31Å; E54-S56 WeakPolarHBondContact CG-OG 3.44Å; E54-S56 PolarHBondContact O-N 3.09Å; E54-S56 PolarHBondContact OE1-OG 2.86Å
57	K	94.1	Very high	91.6	Very high	115 Å²	115	53.1 Å²	53.1	50%	0.5	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-102.3	-1.5	179.8	-63.2	-169.9	-168.7	135.9	0	113.5	E54 T55 Q59	E54-K57 HydrophobicContact CG-CB 4.21Å; E54-K57 HydrophobicContact CG-CD 4.4Å; E54-K57 HydrophobicContact CG-CG 4.08Å; E54-K57 PolarHBondContact O-N 2.96Å; E54-K57 WeakPolarHBondContact OE1-CE 3.4Å; E54-K57 IonicContact OE1-NZ 2.84Å; E54-K57 PolarHBondContact OE1-NZ 2.94Å; E54-K57 VanDerWaalsContact OE2-CD 3.29Å; E54-K57 WeakPolarHBondContact OE2-CD 3.44Å; E54-K57 WeakPolarHBondContact OE2-CE 3.45Å; E54-K57 IonicContact OE2-NZ 3.24Å; E54-K57 PolarHBondContact OE2-NZ 2.87Å; T55-K57 PolarHBondContact O-N 2.04Å; K57-Q59 HydrophobicContact CB-CB 4.23Å; K57-Q59 HydrophobicContact CB-CG 4.19Å; K57-Q59 WeakPolarHBondContact O-CG 3.27Å; K57-Q59 PolarHBondContact O-N 2.91Å
58	N	92.9	Very high	92.2	Very high	36 Å²	36	55.4 Å²	55.4	19%	0.193	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	41.4	-174.6	-149.5	39.6	0	0	0	112.9	I5 F8 P9 I10 E54 T55	I5-N58 PolarHBondContact N-O 3.27Å; I5-N58 PolarHBondContact O-ND2 2.99Å; F8-N58 PolarHBondContact O-ND2 3.5Å; F8-N58 PolarHBondContact O-OD1 2.8Å; P9-N58 WeakPolarHBondContact CA-OD1 3.36Å; I10-N58 WeakPolarHBondContact CB-OD1 3.33Å; I10-N58 PolarHBondContact N-OD1 2.87Å; E54-N58 PolarHBondContact O-N 3.05Å; E54-N58 VanDerWaalsContact O-N 3.16Å; T55-N58 PolarHBondContact O-N 3.03Å
59	Q	94.5	Very high	92.2	Very high	42 Å²	42	55.9 Å²	55.9	20%	0.196	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.7	-171.4	-80.3	171.1	-7.1	0	0	111.9	T2 C3 S4 I10 R53 E54 K57 F61	T2-Q59 HydrophobicContact CG2-CB 4.37Å; T2-Q59 HydrophobicContact CG2-CG 4.11Å; C3-Q59 VanDerWaalsContact O-CA 3.3Å; C3-Q59 WeakPolarHBondContact O-CA 2.96Å; S4-Q59 WeakPolarHBondContact OG-CG 3.39Å; S4-Q59 PolarHBondContact OG-NE2 3.22Å; I10-Q59 VanDerWaalsContact CD1-C 3.47Å; I10-Q59 WeakPolarHBondContact CD1-O 3.36Å; R53-Q59 WeakPolarHBondContact CA-O 3.3Å; E54-Q59 PolarHBondContact N-O 3.35Å; E54-Q59 PolarHBondContact O-N 2.87Å; K57-Q59 HydrophobicContact CB-CB 4.23Å; K57-Q59 HydrophobicContact CB-CG 4.19Å; K57-Q59 WeakPolarHBondContact O-CG 3.27Å; K57-Q59 PolarHBondContact O-N 2.91Å; Q59-F61 HydrophobicContact CB-CE1 4.31Å; Q59-F61 HydrophobicContact CB-CE2 4.07Å; Q59-F61 HydrophobicContact CB-CZ 3.69Å
60	F	94.6	Very high	91.8	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.009	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	154.4	165.1	70.4	-74.7	0	0	0	111.5	C3 I5 I10 W16 W18 I33 T52 R53 C77	C3-F60 HydrophobicContact CB-CD1 3.87Å; C3-F60 HydrophobicContact CB-CE1 3.51Å; C3-F60 HydrophobicContact CB-CE2 4.32Å; C3-F60 HydrophobicContact CB-CG 4.44Å; C3-F60 HydrophobicContact CB-CZ 3.78Å; C3-F60 PolarHBondContact N-O 2.9Å; C3-F60 PolarHBondContact O-N 3Å; C3-F60 WeakPolarHBondContact SG-CE1 3.4Å; I5-F60 HydrophobicContact CD1-CD1 3.95Å; I5-F60 HydrophobicContact CD1-CE1 4.2Å; I5-F60 HydrophobicContact CG1-CD1 4.3Å; I5-F60 HydrophobicContact CG1-CE1 4.21Å; I10-F60 HydrophobicContact CD1-CB 3.91Å; I10-F60 HydrophobicContact CD1-CD1 4.44Å; W16-F60 HydrophobicContact CB-CD1 4.06Å; W16-F60 HydrophobicContact CB-CD2 3.91Å; W16-F60 HydrophobicContact CB-CE1 3.99Å; W16-F60 HydrophobicContact CB-CE2 3.86Å; W16-F60 HydrophobicContact CB-CG 3.99Å; W16-F60 HydrophobicContact CB-CZ 3.86Å; W16-F60 HydrophobicContact CE3-CE1 4.17Å; W16-F60 HydrophobicContact CG-CD1 4.43Å; W18-F60 AromaticContact CD1-CD2 3.91Å; W18-F60 AromaticContact CD1-CE2 3.7Å; W18-F60 HydrophobicContact CD2-CE2 4.31Å; W18-F60 AromaticContact CE2-CD2 3.89Å; W18-F60 AromaticContact CE2-CE2 3.68Å; W18-F60 HydrophobicContact CG-CE2 4.33Å; W18-F60 HydrophobicContact CZ2-CD2 4.29Å; W18-F60 HydrophobicContact CZ2-CE2 4.18Å; W18-F60 AromaticContact NE1-CD2 3.21Å; W18-F60 AromaticContact NE1-CE2 3.27Å; W18-F60 VanDerWaalsContact NE1-CE2 3.27Å; I33-F60 HydrophobicContact CG2-CB 4.31Å; I33-F60 HydrophobicContact CG2-CD2 4.41Å; T52-F60 CarbonylContact O-C 3.54Å; T52-F60 VanDerWaalsContact O-CA 3.28Å; T52-F60 WeakPolarHBondContact O-CA 3.2Å; T52-F60 WeakPolarHBondContact O-CB 3.16Å; R53-F60 HydrophobicContact CB-CB 4.16Å; F60-C77 HydrophobicContact CE1-CB 4.32Å; F60-C77 HydrophobicContact CE2-CB 4.2Å; F60-C77 HydrophobicContact CZ-CB 3.59Å
61	F	95.5	Very high	91.5	Very high	43 Å²	43	59.2 Å²	59.2	19%	0.189	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.8	-166.1	-49.5	-89.2	0	0	0	110.4	L1 T2 I51 T52 E54 Q59	L1-F61 CarbonylContact O-C 3.44Å; L1-F61 WeakPolarHBondContact O-CA 3.09Å; T2-F61 HydrophobicContact CG2-CD1 3.8Å; T2-F61 HydrophobicContact CG2-CE1 3.46Å; T2-F61 VanDerWaalsContact CG2-CE1 3.46Å; T2-F61 HydrophobicContact CG2-CZ 4.37Å; T2-F61 WeakPolarHBondContact OG1-CD1 3.32Å; I51-F61 VanDerWaalsContact CA-O 3.32Å; I51-F61 WeakPolarHBondContact CA-O 3.49Å; T52-F61 PolarHBondContact N-O 2.78Å; T52-F61 PolarHBondContact O-N 3.4Å; E54-F61 HydrophobicContact CB-CE2 3.63Å; E54-F61 HydrophobicContact CB-CZ 4.14Å; Q59-F61 HydrophobicContact CB-CE1 4.31Å; Q59-F61 HydrophobicContact CB-CE2 4.07Å; Q59-F61 HydrophobicContact CB-CZ 3.69Å
62	L	95.4	Very high	91.3	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.3	165.6	172.8	67.6	0	0	0	108.3	L1 W18 M30 I49 I51 L64 Y75	L1-L62 HydrophobicContact CB-CB 4.23Å; L1-L62 HydrophobicContact CD1-CD2 4.03Å; L1-L62 PolarHBondContact N-O 3.36Å; L1-L62 PolarHBondContact O-N 2.92Å; W18-L62 HydrophobicContact CB-CD2 4.15Å; W18-L62 HydrophobicContact CD2-CB 3.56Å; W18-L62 HydrophobicContact CD2-CD2 3.86Å; W18-L62 HydrophobicContact CD2-CG 4.3Å; W18-L62 HydrophobicContact CE3-CB 4.17Å; W18-L62 HydrophobicContact CE3-CD2 3.94Å; W18-L62 HydrophobicContact CG-CB 3.82Å; W18-L62 HydrophobicContact CG-CD1 4.43Å; W18-L62 HydrophobicContact CG-CD2 3.95Å; W18-L62 HydrophobicContact CG-CG 4.3Å; W18-L62 HydrophobicContact CH2-CB 4.44Å; W18-L62 HydrophobicContact CZ2-CB 3.85Å; M30-L62 HydrophobicContact CE-CD1 4.47Å; M30-L62 HydrophobicContact CE-CD2 4.04Å; M30-L62 HydrophobicContact SD-CD2 3.88Å; I49-L62 HydrophobicContact CB-CD1 3.83Å; I49-L62 HydrophobicContact CD1-CD1 3.88Å; I49-L62 HydrophobicContact CG1-CD1 4.36Å; I49-L62 HydrophobicContact CG2-CD1 4.23Å; I51-L62 HydrophobicContact CG1-CD1 4.01Å; L62-L64 HydrophobicContact CD1-CD2 4.38Å; L62-L64 HydrophobicContact CD2-CD2 4.04Å; L62-L64 HydrophobicContact CG-CD2 4.07Å; L62-Y75 HydrophobicContact CD2-CD1 3.72Å; L62-Y75 HydrophobicContact CD2-CE1 4Å
63	Q	94.4	Very high	91.3	Very high	109 Å²	109	58 Å²	58	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.6	170.9	-176	176.7	1.8	0	0	108.4	I49 S50 N65	I49-Q63 CarbonylContact C-O 3.42Å; I49-Q63 VanDerWaalsContact CA-O 3.31Å; I49-Q63 WeakPolarHBondContact CA-O 3.43Å; S50-Q63 PolarHBondContact N-O 3.01Å; S50-Q63 PolarHBondContact O-N 2.91Å; Q63-N65 WeakPolarHBondContact CG-OD1 3.32Å; Q63-N65 PolarHBondContact NE2-OD1 2.78Å
64	L	91.3	Very high	91.3	Very high	33 Å²	33	57.5 Å²	57.5	17%	0.173	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.8	172.4	-57.5	175	0	0	0	107.2	M30 I49 L62 V67 Y75	M30-L64 HydrophobicContact CE-CD2 4.07Å; I49-L64 HydrophobicContact CG2-CD2 3.71Å; L62-L64 HydrophobicContact CD1-CD2 4.38Å; L62-L64 HydrophobicContact CD2-CD2 4.04Å; L62-L64 HydrophobicContact CG-CD2 4.07Å; L64-V67 HydrophobicContact CB-CG2 3.83Å; L64-Y75 HydrophobicContact CD1-CE1 4.1Å; L64-Y75 HydrophobicContact CD1-CE2 4.47Å; L64-Y75 HydrophobicContact CD2-CE1 3.98Å
65	N	85.6	Confident	91.2	Very high	55 Å²	55	54.7 Å²	54.7	29%	0.294	30%	0.303	S	S	.	.	S	Bend	trans	-99.6	129	177.4	-60	-43.1	0	0	0	107.8	P48 Q63	P48-N65 HydrophobicContact CB-CB 4.25Å; P48-N65 WeakPolarHBondContact CD-O 3.39Å; P48-N65 HydrophobicContact CG-CB 4.1Å; P48-N65 WeakPolarHBondContact CG-O 3.29Å; P48-N65 WeakPolarHBondContact O-CA 3.36Å; P48-N65 WeakPolarHBondContact O-CB 3.1Å; P48-N65 PolarHBondContact O-N 2.9Å; P48-N65 VanDerWaalsContact O-O 3.1Å; Q63-N65 WeakPolarHBondContact CG-OD1 3.32Å; Q63-N65 PolarHBondContact NE2-OD1 2.78Å
66	S	83.5	Confident	91.3	Very high	99 Å²	99	53.2 Å²	53.2	69%	0.692	29%	0.289	S	S	*	.	S	Bend	trans	60.6	61.4	-178.9	-53.2	0	0	0	0	113.9
67	V	86	Confident	91.3	Very high	70 Å²	70	48.7 Å²	48.7	42%	0.424	26%	0.258	S	S	.	.			trans	-65	131.7	-177.7	-162	0	0	0	0	111.5	L64 D71 V98	L64-V67 HydrophobicContact CB-CG2 3.83Å; V67-D71 HydrophobicContact CG1-CB 3.74Å; V67-V98 HydrophobicContact CG1-CB 4.27Å; V67-V98 HydrophobicContact CG1-CG1 4Å; V67-V98 HydrophobicContact CG1-CG2 3.33Å
68	T	88.6	Confident	91.1	Very high	62 Å²	62	43.3 Å²	43.3	38%	0.38	24%	0.235	S	C	.	.			trans	-118.6	171.8	176.1	67.8	0	0	0	0	111.5	E70 D71 V98	T68-E70 PolarHBondContact O-N 2.85Å; T68-E70 VanDerWaalsContact O-N 3.17Å; T68-E70 PolarHBondContact OG1-N 2.87Å; T68-D71 PolarHBondContact N-OD2 3.15Å; T68-D71 WeakPolarHBondContact O-CB 3.31Å; T68-D71 PolarHBondContact O-N 2.73Å; T68-D71 PolarHBondContact OG1-OD2 2.66Å; T68-V98 WeakPolarHBondContact O-CB 3.35Å; T68-V98 WeakPolarHBondContact O-CG1 3.36Å
69	T	87.4	Confident	90.8	Very high	83 Å²	83	41.7 Å²	41.7	51%	0.509	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-58.5	-26.5	175.2	50.8	0	0	0	0	112.6	D71 T72	T69-D71 PolarHBondContact O-N 2.76Å; T69-T72 VanDerWaalsContact O-CB 3.32Å; T69-T72 WeakPolarHBondContact O-CB 3.42Å; T69-T72 PolarHBondContact O-N 2.83Å; T69-T72 VanDerWaalsContact O-N 3.16Å; T69-T72 PolarHBondContact O-OG1 2.93Å; T69-T72 VanDerWaalsContact O-OG1 3.09Å
70	E	84.5	Confident	90.2	Very high	120 Å²	120	41 Å²	41	56%	0.561	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-68.3	-20.5	176	-59	-173.5	179.3	0	0	113.4	T68 T72	T68-E70 PolarHBondContact O-N 2.85Å; T68-E70 VanDerWaalsContact O-N 3.17Å; T68-E70 PolarHBondContact OG1-N 2.87Å; E70-T72 PolarHBondContact O-N 2.86Å
71	D	87.8	Confident	89.2	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-80.6	3.6	174.4	-62.6	-57.9	0	0	0	112.6	R20 S47 V67 T68 T69 A73 Y75 V98	R20-D71 IonicContact NH1-OD1 3.59Å; R20-D71 PolarHBondContact NH1-OD1 2.86Å; R20-D71 VanDerWaalsContact NH1-OD1 3.08Å; S47-D71 WeakPolarHBondContact CB-OD1 3.47Å; S47-D71 PolarHBondContact OG-OD1 2.8Å; S47-D71 PolarHBondContact OG-OD2 2.89Å; S47-D71 VanDerWaalsContact OG-OD2 3.05Å; V67-D71 HydrophobicContact CG1-CB 3.74Å; T68-D71 PolarHBondContact N-OD2 3.15Å; T68-D71 WeakPolarHBondContact O-CB 3.31Å; T68-D71 PolarHBondContact O-N 2.73Å; T68-D71 PolarHBondContact OG1-OD2 2.66Å; T69-D71 PolarHBondContact O-N 2.76Å; D71-A73 PolarHBondContact O-N 3.38Å; D71-Y75 WeakPolarHBondContact O-CE2 3.44Å; D71-Y75 PolarHBondContact O-OH 3.02Å; D71-V98 HydrophobicContact CB-CG2 4.49Å
72	T	92	Very high	87.5	Confident	35 Å²	35	47.3 Å²	47.3	22%	0.215	25%	0.254	C	S	.	.			trans	-67.7	106	170.1	-64.1	0	0	0	0	110	P23 T69 E70 V96 T97 V98	P23-T72 WeakPolarHBondContact CD-O 3.35Å; T69-T72 VanDerWaalsContact O-CB 3.32Å; T69-T72 WeakPolarHBondContact O-CB 3.42Å; T69-T72 PolarHBondContact O-N 2.83Å; T69-T72 VanDerWaalsContact O-N 3.16Å; T69-T72 PolarHBondContact O-OG1 2.93Å; T69-T72 VanDerWaalsContact O-OG1 3.09Å; E70-T72 PolarHBondContact O-N 2.86Å; T72-V96 WeakPolarHBondContact CA-O 3.29Å; T72-T97 HydrophobicContact CG2-CG2 4.2Å; T72-V98 PolarHBondContact OG1-N 3.47Å; T72-V98 PolarHBondContact OG1-O 3.16Å
73	A	93.6	Very high	85.5	Confident	4 Å²	4	50.6 Å²	50.6	3%	0.033	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	165.9	-174.9	0	0	0	0	0	111.7	R20 Q21 D71 Y75 V96	R20-A73 HydrophobicContact CB-CB 4.15Å; Q21-A73 WeakPolarHBondContact O-CA 3.35Å; Q21-A73 WeakPolarHBondContact O-CB 3.46Å; D71-A73 PolarHBondContact O-N 3.38Å; A73-Y75 HydrophobicContact CB-CD2 4.33Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; A73-Y75 WeakPolarHBondContact O-CD2 3.45Å; A73-V96 PolarHBondContact N-O 3.2Å; A73-V96 VanDerWaalsContact N-O 3.12Å; A73-V96 PolarHBondContact O-N 3.25Å
74	M	94.6	Very high	83.6	Confident	56 Å²	56	53.8 Å²	53.8	28%	0.276	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.1	160.9	-164.7	71.5	69.6	0	0	109.1	R20 Q21 Y76 T95	R20-M74 CarbonylContact C-O 3.46Å; R20-M74 VanDerWaalsContact CA-O 3.25Å; R20-M74 WeakPolarHBondContact CA-O 3.22Å; Q21-M74 HydrophobicContact CB-CB 4.48Å; Q21-M74 PolarHBondContact N-O 3.46Å; Q21-M74 PolarHBondContact O-N 3.37Å; M74-Y76 HydrophobicContact CB-CE2 3.8Å; M74-Y76 HydrophobicContact CG-CD1 4.47Å; M74-Y76 HydrophobicContact CG-CD2 4.44Å; M74-Y76 HydrophobicContact CG-CE1 3.71Å; M74-Y76 HydrophobicContact CG-CE2 3.69Å; M74-Y76 WeakPolarHBondContact CG-OH 3.22Å; M74-T95 WeakPolarHBondContact CE-OG1 3.28Å; M74-T95 PolarHBondContact SD-N 2.88Å; M74-T95 PolarHBondContact SD-OG1 3.35Å
75	Y	94.3	Very high	81.8	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.008	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.3	-179.9	-70.8	-100	0	0	0	110.4	L1 I19 R20 M30 L62 L64 D71 A73 G93 T94 V96	L1-Y75 HydrophobicContact CD1-CD1 3.59Å; L1-Y75 HydrophobicContact CD1-CD2 4Å; L1-Y75 HydrophobicContact CD1-CE1 4.25Å; L1-Y75 HydrophobicContact CD1-CG 3.42Å; L1-Y75 VanDerWaalsContact CD1-CG 3.42Å; I19-Y75 CarbonylContact O-C 3.55Å; I19-Y75 WeakPolarHBondContact O-CA 3.36Å; R20-Y75 HydrophobicContact CB-CD1 3.94Å; R20-Y75 HydrophobicContact CB-CE1 3.92Å; R20-Y75 HydrophobicContact CB-CG 4.43Å; M30-Y75 HydrophobicContact CE-CE1 3.9Å; M30-Y75 HydrophobicContact SD-CD1 3.78Å; M30-Y75 HydrophobicContact SD-CE1 3.61Å; L62-Y75 HydrophobicContact CD2-CD1 3.72Å; L62-Y75 HydrophobicContact CD2-CE1 4Å; L64-Y75 HydrophobicContact CD1-CE1 4.1Å; L64-Y75 HydrophobicContact CD1-CE2 4.47Å; L64-Y75 HydrophobicContact CD2-CE1 3.98Å; D71-Y75 WeakPolarHBondContact O-CE2 3.44Å; D71-Y75 PolarHBondContact O-OH 3.02Å; A73-Y75 HydrophobicContact CB-CD2 4.33Å; A73-Y75 HydrophobicContact CB-CE2 3.81Å; A73-Y75 WeakPolarHBondContact O-CD2 3.45Å; Y75-G93 CarbonylContact O-C 3.52Å; Y75-G93 WeakPolarHBondContact O-CA 3.41Å; Y75-T94 PolarHBondContact N-O 2.76Å; Y75-T94 PolarHBondContact O-N 2.99Å; Y75-V96 HydrophobicContact CD2-CB 3.92Å; Y75-V96 HydrophobicContact CD2-CG2 3.65Å; Y75-V96 HydrophobicContact CE2-CB 3.71Å; Y75-V96 HydrophobicContact CE2-CG2 3.87Å
76	Y	93.4	Very high	80.3	Confident	44 Å²	44	69.7 Å²	69.7	17%	0.173	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.1	-178	-52.1	-88.9	0	0	0	110.2	W18 I19 Q21 L27 M74 V89 G93	W18-Y76 VanDerWaalsContact CE3-O 3.29Å; I19-Y76 PolarHBondContact N-O 2.67Å; I19-Y76 PolarHBondContact O-N 2.82Å; Q21-Y76 HydrophobicContact CB-CE2 3.81Å; Q21-Y76 PolarHBondContact OE1-OH 3.18Å; L27-Y76 HydrophobicContact CD2-CD2 3.92Å; L27-Y76 HydrophobicContact CD2-CE2 3.77Å; M74-Y76 HydrophobicContact CB-CE2 3.8Å; M74-Y76 HydrophobicContact CG-CD1 4.47Å; M74-Y76 HydrophobicContact CG-CD2 4.44Å; M74-Y76 HydrophobicContact CG-CE1 3.71Å; M74-Y76 HydrophobicContact CG-CE2 3.69Å; M74-Y76 WeakPolarHBondContact CG-OH 3.22Å; Y76-V89 HydrophobicContact CD1-CG1 4.33Å; Y76-G93 VanDerWaalsContact CD1-CA 3.41Å
77	C	92.7	Very high	79.3	Confident	11 Å²	11	70.3 Å²	70.3	7%	0.074	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.5	165.5	60.1	0	0	0	0	110.6	C3 I17 W18 F60 W90	C3-C77 HydrophobicContact CB-CB 3.39Å; C3-C77 WeakPolarHBondContact CB-SG 3.39Å; C3-C77 WeakPolarHBondContact SG-CB 3.38Å; C3-C77 CovalentContact SG-SG 2.04Å; C3-C77 PolarHBondContact SG-SG 3.16Å; I17-C77 WeakPolarHBondContact O-CA 3.5Å; W18-C77 HydrophobicContact CE3-CB 4.32Å; W18-C77 HydrophobicContact CH2-CB 4.2Å; W18-C77 HydrophobicContact CZ2-CB 4.49Å; W18-C77 HydrophobicContact CZ3-CB 4.11Å; F60-C77 HydrophobicContact CE1-CB 4.32Å; F60-C77 HydrophobicContact CE2-CB 4.2Å; F60-C77 HydrophobicContact CZ-CB 3.59Å; C77-W90 PolarHBondContact O-N 2.94Å; C77-W90 VanDerWaalsContact O-N 3.16Å
78	A	90.6	Very high	78.3	Confident	2 Å²	2	71.8 Å²	71.8	2%	0.017	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	160.4	-179.3	0	0	0	0	0	110.8	I17 I19 F87 D88	I17-A78 HydrophobicContact CB-CB 4.3Å; I17-A78 PolarHBondContact N-O 3.23Å; I17-A78 PolarHBondContact O-N 2.82Å; I19-A78 HydrophobicContact CD1-CB 4.12Å; A78-F87 HydrophobicContact CB-CB 4.43Å; A78-D88 VanDerWaalsContact CA-O 3.27Å; A78-D88 WeakPolarHBondContact CA-O 3.49Å; A78-D88 WeakPolarHBondContact CB-O 3.39Å
79	G	87.4	Confident	77.2	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145	172.8	0	0	0	0	0	111.3	Y15 D88	Y15-G79 WeakPolarHBondContact O-CA 3.28Å; G79-D88 PolarHBondContact N-O 3.15Å; G79-D88 PolarHBondContact O-N 3.41Å; G79-D88 VanDerWaalsContact O-N 3.17Å
80	D	81.3	Confident	76.3	Confident	28 Å²	28	72.9 Å²	72.9	15%	0.15	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120	171.4	175.7	5.4	0	0	0	109.2	Y14 Y15 I17 F87	Y14-D80 CarbonylContact C-O 3.58Å; Y14-D80 WeakPolarHBondContact CA-O 3.42Å; Y14-D80 WeakPolarHBondContact CB-O 3.49Å; Y14-D80 VanDerWaalsContact CD1-C 3.49Å; Y14-D80 WeakPolarHBondContact CD1-O 3.38Å; Y15-D80 HydrophobicContact CD2-CB 4.24Å; Y15-D80 PolarHBondContact N-O 2.9Å; Y15-D80 PolarHBondContact O-N 3.03Å; Y15-D80 VanDerWaalsContact O-N 3.09Å; I17-D80 HydrophobicContact CD1-CB 3.88Å; D80-F87 HydrophobicContact CB-CD1 4Å; D80-F87 HydrophobicContact CB-CE1 4.13Å
81	G	72.4	Confident	75.6	Confident	19 Å²	19	68.3 Å²	68.3	20%	0.196	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.2	-177.1	0	0	0	0	0	112.5	G83 Y84	G81-G83 PolarHBondContact O-N 3.15Å; G81-Y84 PolarHBondContact O-N 3.4Å
82	Y	59.9	Low	75.1	Confident	159 Å²	159	75.1 Å²	75.1	62%	0.624	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-17.4	96.5	-177.8	-73.6	-70.8	0	0	0	116.3	G13	G13-Y82 WeakPolarHBondContact O-CD2 3.18Å; G13-Y82 VanDerWaalsContact O-CE2 3.22Å; G13-Y82 WeakPolarHBondContact O-CE2 3.46Å
83	G	54.6	Low	74.7	Confident	70 Å²	70	74.3 Å²	74.3	72%	0.722	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	1.1	159.7	0	0	0	0	0	116.8	G81	G81-G83 PolarHBondContact O-N 3.15Å
84	Y	53.1	Low	74.6	Confident	176 Å²	176	77.7 Å²	77.7	69%	0.69	39%	0.39	S	S	*	.			trans	-107.1	119.3	175.2	-66.8	-81.4	0	0	0	110	G81 Y86	G81-Y84 PolarHBondContact O-N 3.4Å; Y84-Y86 PolarHBondContact O-N 2.68Å
85	W	54.3	Low	74.5	Confident	240 Å²	240	79.3 Å²	79.3	91%	0.909	40%	0.403	S	S	*	.			trans	-68.9	28.5	177	-59.7	94.8	0	0	0	113.8
86	Y	53.3	Low	74.2	Confident	181 Å²	181	80.7 Å²	80.7	71%	0.71	41%	0.411	S	S	*	.			trans	-120.5	119	-175.5	-75	-81.5	0	0	0	109.6	Y84 D88	Y84-Y86 PolarHBondContact O-N 2.68Å; Y86-D88 PolarHBondContact O-N 3.23Å
87	F	64.3	Low	74	Confident	112 Å²	112	83.7 Å²	83.7	49%	0.491	44%	0.435	S	S	.	.			trans	-79.5	117.2	170.6	-58.2	-61.3	0	0	0	109	I17 A78 D80	I17-F87 HydrophobicContact CD1-CD1 3.22Å; I17-F87 HydrophobicContact CD1-CE1 3.26Å; I17-F87 HydrophobicContact CD1-CG 4.39Å; I17-F87 HydrophobicContact CD1-CZ 4.43Å; A78-F87 HydrophobicContact CB-CB 4.43Å; D80-F87 HydrophobicContact CB-CD1 4Å; D80-F87 HydrophobicContact CB-CE1 4.13Å
88	D	64.3	Low	73.6	Confident	102 Å²	102	84.8 Å²	84.8	55%	0.545	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.9	168.1	-73.5	-31.3	0	0	0	107.6	A78 G79 Y86 W90	A78-D88 VanDerWaalsContact CA-O 3.27Å; A78-D88 WeakPolarHBondContact CA-O 3.49Å; A78-D88 WeakPolarHBondContact CB-O 3.39Å; G79-D88 PolarHBondContact N-O 3.15Å; G79-D88 PolarHBondContact O-N 3.41Å; G79-D88 VanDerWaalsContact O-N 3.17Å; Y86-D88 PolarHBondContact O-N 3.23Å; D88-W90 VanDerWaalsContact C-CD1 3.42Å; D88-W90 PolarHBondContact O-N 2.93Å; D88-W90 PolarHBondContact O-NE1 3.07Å
89	V	65	Low	73.3	Confident	80 Å²	80	89.7 Å²	89.7	49%	0.485	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111	174.1	179.6	0	0	0	0	107.9	Y76 G91	Y76-V89 HydrophobicContact CD1-CG1 4.33Å; V89-G91 WeakPolarHBondContact CG1-O 3.09Å
90	W	69.6	Low	72.6	Confident	87 Å²	87	98.1 Å²	98.1	33%	0.33	53%	0.534	S	S	.	.			trans	-95.5	-11.2	-172.7	-64.6	3.2	0	0	0	113.4	I5 F8 Y14 W16 C77 D88	I5-W90 HydrophobicContact CG1-CZ3 4.31Å; I5-W90 HydrophobicContact CG2-CE3 4.43Å; I5-W90 HydrophobicContact CG2-CZ3 3.8Å; F8-W90 HydrophobicContact CE1-CH2 4.01Å; F8-W90 HydrophobicContact CE1-CZ3 4.16Å; F8-W90 AromaticContact CE2-CH2 3.29Å; F8-W90 HydrophobicContact CE2-CH2 3.29Å; F8-W90 HydrophobicContact CE2-CZ2 4.32Å; F8-W90 AromaticContact CE2-CZ3 3.68Å; F8-W90 HydrophobicContact CE2-CZ3 3.68Å; F8-W90 AromaticContact CZ-CH2 2.93Å; F8-W90 HydrophobicContact CZ-CH2 2.93Å; F8-W90 AromaticContact CZ-CZ2 3.64Å; F8-W90 HydrophobicContact CZ-CZ2 3.64Å; F8-W90 AromaticContact CZ-CZ3 3.39Å; F8-W90 HydrophobicContact CZ-CZ3 3.39Å; Y14-W90 AromaticContact CD1-CH2 4Å; Y14-W90 HydrophobicContact CD1-CH2 4Å; Y14-W90 HydrophobicContact CD1-CZ2 4.12Å; Y14-W90 HydrophobicContact CE1-CH2 4.16Å; Y14-W90 HydrophobicContact CE1-CZ2 4.1Å; Y14-W90 HydrophobicContact CG-CH2 4.5Å; W16-W90 HydrophobicContact CE3-CH2 4.45Å; W16-W90 HydrophobicContact CE3-CZ3 4.38Å; W16-W90 AromaticContact CH2-CH2 3.78Å; W16-W90 HydrophobicContact CH2-CH2 3.78Å; W16-W90 AromaticContact CH2-CZ3 3.8Å; W16-W90 HydrophobicContact CH2-CZ3 3.8Å; W16-W90 HydrophobicContact CZ3-CE3 4.2Å; W16-W90 AromaticContact CZ3-CH2 3.33Å; W16-W90 HydrophobicContact CZ3-CH2 3.33Å; W16-W90 HydrophobicContact CZ3-CZ2 4.46Å; W16-W90 AromaticContact CZ3-CZ3 3.27Å; W16-W90 HydrophobicContact CZ3-CZ3 3.27Å; C77-W90 PolarHBondContact O-N 2.94Å; C77-W90 VanDerWaalsContact O-N 3.16Å; D88-W90 VanDerWaalsContact C-CD1 3.42Å; D88-W90 PolarHBondContact O-N 2.93Å; D88-W90 PolarHBondContact O-NE1 3.07Å
91	G	69.3	Low	72.2	Confident	24 Å²	24	101.6 Å²	101.6	25%	0.247	55%	0.553	C	S	.	*	S	Bend	trans	-113.6	150.4	179.3	0	0	0	0	0	112.9	V89 G93	V89-G91 WeakPolarHBondContact CG1-O 3.09Å; G91-G93 PolarHBondContact O-N 2.71Å; G91-G93 VanDerWaalsContact O-N 3.1Å
92	T	77.5	Confident	72.2	Confident	145 Å²	145	105.9 Å²	105.9	89%	0.89	57%	0.572	S	S	*	*			trans	-67.5	-3.8	171.2	53.3	0	0	0	0	113.7
93	G	83.7	Confident	72.9	Confident	17 Å²	17	103 Å²	103	18%	0.175	57%	0.569	C	S	.	*			trans	78.9	155.7	-171	0	0	0	0	0	112.7	Y75 Y76 G91	Y75-G93 CarbonylContact O-C 3.52Å; Y75-G93 WeakPolarHBondContact O-CA 3.41Å; Y76-G93 VanDerWaalsContact CD1-CA 3.41Å; G91-G93 PolarHBondContact O-N 2.71Å; G91-G93 VanDerWaalsContact O-N 3.1Å
94	T	91.1	Very high	74	Confident	76 Å²	76	104.9 Å²	104.9	47%	0.466	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.6	124.7	173.9	-63.3	0	0	0	0	109	L1 Y75	L1-T94 HydrophobicContact CD2-CG2 3.95Å; Y75-T94 PolarHBondContact N-O 2.76Å; Y75-T94 PolarHBondContact O-N 2.99Å
95	T	91.6	Very high	75.3	Confident	89 Å²	89	100.5 Å²	100.5	55%	0.546	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.1	126.4	174.6	-47.9	0	0	0	0	109.4	M74	M74-T95 WeakPolarHBondContact CE-OG1 3.28Å; M74-T95 PolarHBondContact SD-N 2.88Å; M74-T95 PolarHBondContact SD-OG1 3.35Å
96	V	88.8	Confident	76.7	Confident	31 Å²	31	91.2 Å²	91.2	19%	0.188	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.1	168.4	-179.3	0	0	0	0	107.5	L1 T72 A73 Y75 V98	L1-V96 HydrophobicContact CD1-CG2 4.19Å; L1-V96 HydrophobicContact CD2-CG2 3.86Å; L1-V96 HydrophobicContact CG-CG2 4.47Å; T72-V96 WeakPolarHBondContact CA-O 3.29Å; A73-V96 PolarHBondContact N-O 3.2Å; A73-V96 VanDerWaalsContact N-O 3.12Å; A73-V96 PolarHBondContact O-N 3.25Å; Y75-V96 HydrophobicContact CD2-CB 3.92Å; Y75-V96 HydrophobicContact CD2-CG2 3.65Å; Y75-V96 HydrophobicContact CE2-CB 3.71Å; Y75-V96 HydrophobicContact CE2-CG2 3.87Å; V96-V98 HydrophobicContact CG1-CG2 4.17Å
97	T	89.1	Confident	78.3	Confident	108 Å²	108	84.8 Å²	84.8	66%	0.663	52%	0.515	S	S	*	.			trans	-119.2	129.3	177.1	-53	0	0	0	0	109	T72	T72-T97 HydrophobicContact CG2-CG2 4.2Å
98	V	84.9	Confident	79.4	Confident	33 Å²	33	82.7 Å²	82.7	20%	0.2	52%	0.516	C	S	.	.			trans	-122.8	117.9	-176.9	-172.9	0	0	0	0	107.1	V67 T68 D71 T72 V96	V67-V98 HydrophobicContact CG1-CB 4.27Å; V67-V98 HydrophobicContact CG1-CG1 4Å; V67-V98 HydrophobicContact CG1-CG2 3.33Å; T68-V98 WeakPolarHBondContact O-CB 3.35Å; T68-V98 WeakPolarHBondContact O-CG1 3.36Å; D71-V98 HydrophobicContact CB-CG2 4.49Å; T72-V98 PolarHBondContact OG1-N 3.47Å; T72-V98 PolarHBondContact OG1-O 3.16Å; V96-V98 HydrophobicContact CG1-CG2 4.17Å
99	S	84.1	Confident	80.7	Confident	106 Å²	106	81.1 Å²	81.1	74%	0.741	51%	0.514	S	S	*	.			trans	-115.4	148.4	178.1	56.2	0	0	0	0	110.2
100	S	73.5	Confident	82.1	Confident	177 Å²	177	81.2 Å²	81.2	100%	1.238	52%	0.517	S	S	*	.			trans	-73.4	0	172.6	61.9	0	0	0	0	112.8

Retrieved 100 of 100 residues in 21.2 ms (Link to these results)

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