X5J5I4_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5I4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 100 aa.

						>X5J5I4_MOUSE|X5J5I4
LTCSITGFPITSGYYWIWIRQSPGKPLEWMGYITHSGETFYNPSLQSPISITRETSKNQFFLQLNSVTTEDTAMYYCAGDSDGYWYFDVWGTGTTVTVSS
					

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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	95.3	Very high	92.6	Very high	62 Å²	62	58 Å²	58	33%	0.325	38%	0.382	S	S	.	.				0	143.1	0	-65	173.6	0	0	0	108.7	W18 F61 L62 Y75 T94 V96	L1-W18 HydrophobicContact CB-CH2 3.72Å; L1-W18 HydrophobicContact CB-CZ2 4.25Å; L1-W18 HydrophobicContact CB-CZ3 4.11Å; L1-W18 HydrophobicContact CD1-CZ3 4.33Å; L1-F61 CarbonylContact O-C 3.48Å; L1-F61 WeakPolarHBondContact O-CA 3.38Å; L1-L62 HydrophobicContact CB-CB 4.25Å; L1-L62 HydrophobicContact CD1-CD2 4.11Å; L1-L62 PolarHBondContact N-O 2.77Å; L1-L62 PolarHBondContact O-N 3.32Å; L1-Y75 HydrophobicContact CD1-CD1 3.57Å; L1-Y75 HydrophobicContact CD1-CD2 4.05Å; L1-Y75 HydrophobicContact CD1-CE1 4.25Å; L1-Y75 HydrophobicContact CD1-CG 3.43Å; L1-Y75 VanDerWaalsContact CD1-CG 3.43Å; L1-T94 HydrophobicContact CD2-CG2 3.96Å; L1-V96 HydrophobicContact CD1-CG2 4.15Å; L1-V96 HydrophobicContact CD2-CG2 3.87Å; L1-V96 HydrophobicContact CG-CG2 4.49Å
2	T	96.9	Very high	92.1	Very high	81 Å²	81	56.4 Å²	56.4	50%	0.497	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.8	-175.8	-57.4	0	0	0	0	109.1	Q59 F61	T2-Q59 HydrophobicContact CG2-CB 4.37Å; T2-Q59 HydrophobicContact CG2-CG 4.09Å; T2-F61 HydrophobicContact CG2-CD1 3.8Å; T2-F61 HydrophobicContact CG2-CE1 3.49Å; T2-F61 VanDerWaalsContact CG2-CE1 3.49Å; T2-F61 HydrophobicContact CG2-CZ 4.4Å; T2-F61 VanDerWaalsContact OG1-CD1 3.3Å; T2-F61 WeakPolarHBondContact OG1-CD1 3.34Å
3	C	96.1	Very high	91.6	Very high	15 Å²	15	54.8 Å²	54.8	10%	0.101	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.7	169.6	-174	0	0	0	0	109.3	W18 Q59 F60 C77	C3-W18 HydrophobicContact CB-CH2 4.02Å; C3-W18 HydrophobicContact CB-CZ2 3.93Å; C3-Q59 VanDerWaalsContact O-CA 3.3Å; C3-Q59 WeakPolarHBondContact O-CA 3.03Å; C3-F60 HydrophobicContact CB-CD1 3.85Å; C3-F60 HydrophobicContact CB-CE1 3.46Å; C3-F60 VanDerWaalsContact CB-CE1 3.46Å; C3-F60 HydrophobicContact CB-CZ 3.88Å; C3-F60 PolarHBondContact N-O 3.36Å; C3-F60 PolarHBondContact O-N 3.47Å; C3-F60 VanDerWaalsContact SG-CE1 3.54Å; C3-C77 HydrophobicContact CB-CB 3.39Å; C3-C77 WeakPolarHBondContact CB-SG 3.35Å; C3-C77 WeakPolarHBondContact SG-CB 3.31Å; C3-C77 CovalentContact SG-SG 2.04Å; C3-C77 PolarHBondContact SG-SG 3.1Å
4	S	95.6	Very high	91.4	Very high	70 Å²	70	54.4 Å²	54.4	49%	0.49	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	125.9	177.3	-55.4	0	0	0	0	109.3	Q59	S4-Q59 WeakPolarHBondContact OG-CG 3.37Å; S4-Q59 PolarHBondContact OG-NE2 3.21Å
5	I	92.8	Very high	91.4	Very high	17 Å²	17	54.9 Å²	54.9	9%	0.087	35%	0.352	C	S	.	.			trans	-90.3	139.5	177.9	-64.3	148.3	0	0	0	108.4	F8 I10 W16 N58 F60	I5-F8 HydrophobicContact CG2-CD2 4.23Å; I5-F8 HydrophobicContact CG2-CE2 4.06Å; I5-F8 HydrophobicContact CG2-CZ 4.27Å; I5-F8 WeakPolarHBondContact CG2-O 3.4Å; I5-I10 HydrophobicContact CD1-CB 3.7Å; I5-I10 HydrophobicContact CD1-CD1 3.51Å; I5-I10 HydrophobicContact CD1-CG1 3.35Å; I5-W16 HydrophobicContact CB-CH2 4.25Å; I5-W16 HydrophobicContact CD1-CD2 3.56Å; I5-W16 VanDerWaalsContact CD1-CE2 3.43Å; I5-W16 HydrophobicContact CD1-CE3 3.72Å; I5-W16 HydrophobicContact CD1-CG 4.26Å; I5-W16 HydrophobicContact CD1-CH2 3.54Å; I5-W16 HydrophobicContact CD1-CZ2 3.43Å; I5-W16 VanDerWaalsContact CD1-CZ2 3.43Å; I5-W16 HydrophobicContact CD1-CZ3 3.72Å; I5-W16 HydrophobicContact CG1-CD2 4.39Å; I5-W16 HydrophobicContact CG1-CE3 4.05Å; I5-W16 HydrophobicContact CG1-CH2 3.62Å; I5-W16 HydrophobicContact CG1-CZ2 4.04Å; I5-W16 HydrophobicContact CG1-CZ3 3.66Å; I5-W16 HydrophobicContact CG2-CH2 3.58Å; I5-W16 HydrophobicContact CG2-CZ2 4.04Å; I5-W16 HydrophobicContact CG2-CZ3 4.34Å; I5-N58 PolarHBondContact N-O 3Å; I5-N58 PolarHBondContact O-ND2 3.29Å; I5-F60 HydrophobicContact CD1-CD1 3.98Å; I5-F60 HydrophobicContact CD1-CE1 4.18Å; I5-F60 HydrophobicContact CG1-CE1 4.41Å
6	T	90.5	Very high	91.6	Very high	117 Å²	117	51.7 Å²	51.7	72%	0.718	33%	0.331	S	S	*	.			trans	-126.8	153.8	178	60.2	0	0	0	0	109.6	F8	T6-F8 VanDerWaalsContact C-N 3.3Å; T6-F8 PolarHBondContact O-N 3.28Å
7	G	87.7	Confident	91.8	Very high	87 Å²	87	49.1 Å²	49.1	90%	0.897	31%	0.314	S	S	*	.	S	Bend	trans	88.2	-26.7	179.4	0	0	0	0	0	115.3
8	F	88.4	Confident	92.1	Very high	55 Å²	55	46.8 Å²	46.8	24%	0.241	30%	0.298	C	S	.	.	S	Bend	trans	-157.9	161.6	178.6	53.1	-86.9	0	0	0	112.8	I5 T6 Y14 W16 N58 V89	I5-F8 HydrophobicContact CG2-CD2 4.23Å; I5-F8 HydrophobicContact CG2-CE2 4.06Å; I5-F8 HydrophobicContact CG2-CZ 4.27Å; I5-F8 WeakPolarHBondContact CG2-O 3.4Å; T6-F8 VanDerWaalsContact C-N 3.3Å; T6-F8 PolarHBondContact O-N 3.28Å; F8-Y14 HydrophobicContact CD2-CD2 4.05Å; F8-Y14 AromaticContact CD2-CE2 3.82Å; F8-Y14 HydrophobicContact CD2-CE2 3.82Å; F8-Y14 AromaticContact CE2-CD2 3.41Å; F8-Y14 HydrophobicContact CE2-CD2 3.41Å; F8-Y14 VanDerWaalsContact CE2-CD2 3.41Å; F8-Y14 HydrophobicContact CE2-CE1 4.41Å; F8-Y14 AromaticContact CE2-CE2 3.26Å; F8-Y14 HydrophobicContact CE2-CE2 3.26Å; F8-Y14 HydrophobicContact CE2-CG 4.08Å; F8-Y14 AromaticContact CE2-CZ 3.82Å; F8-Y14 HydrophobicContact CZ-CD2 4.2Å; F8-Y14 HydrophobicContact CZ-CE1 4.27Å; F8-Y14 AromaticContact CZ-CE2 3.74Å; F8-Y14 HydrophobicContact CZ-CE2 3.74Å; F8-Y14 AromaticContact CZ-CZ 3.8Å; F8-W16 HydrophobicContact CD2-CH2 4.34Å; F8-W16 HydrophobicContact CD2-CZ2 4.33Å; F8-W16 AromaticContact CE2-CH2 3.29Å; F8-W16 HydrophobicContact CE2-CH2 3.29Å; F8-W16 AromaticContact CE2-CZ2 3.57Å; F8-W16 HydrophobicContact CE2-CZ2 3.57Å; F8-W16 AromaticContact CZ-CH2 3.65Å; F8-W16 HydrophobicContact CZ-CH2 3.65Å; F8-W16 HydrophobicContact CZ-CZ2 4.37Å; F8-N58 PolarHBondContact O-ND2 3.14Å; F8-V89 HydrophobicContact CZ-CG2 4.24Å
9	P	91.6	Very high	92.2	Very high	72 Å²	72	44.6 Å²	44.6	47%	0.468	28%	0.284	S	S	.	.			trans	-63.2	145.2	175.7	-22.8	33.4	0	0	0	113.7	T11 S12 N58	P9-T11 PolarHBondContact O-N 3.18Å; P9-T11 VanDerWaalsContact O-N 3.11Å; P9-S12 WeakPolarHBondContact CD-OG 3.32Å; P9-S12 WeakPolarHBondContact O-CB 3.4Å; P9-S12 PolarHBondContact O-N 2.91Å; P9-S12 PolarHBondContact O-OG 3.09Å; P9-S12 VanDerWaalsContact O-OG 3.1Å; P9-N58 WeakPolarHBondContact CA-OD1 3.35Å
10	I	92.1	Very high	92.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16	174.7	-170.4	165.2	0	0	0	112.6	I5 W16 R53 T55 N58 Q59 F60	I5-I10 HydrophobicContact CD1-CB 3.7Å; I5-I10 HydrophobicContact CD1-CD1 3.51Å; I5-I10 HydrophobicContact CD1-CG1 3.35Å; I10-W16 HydrophobicContact CG1-CD2 4.48Å; I10-W16 HydrophobicContact CG1-CG 4.28Å; I10-W16 PolarHBondContact O-NE1 3.09Å; I10-R53 HydrophobicContact CD1-CB 4.09Å; I10-T55 HydrophobicContact CG2-CG2 4.08Å; I10-N58 WeakPolarHBondContact CB-OD1 3.19Å; I10-N58 PolarHBondContact N-OD1 2.96Å; I10-Q59 VanDerWaalsContact CD1-C 3.46Å; I10-Q59 VanDerWaalsContact CD1-O 3.32Å; I10-Q59 WeakPolarHBondContact CD1-O 3.16Å; I10-F60 HydrophobicContact CD1-CB 3.86Å; I10-F60 HydrophobicContact CD1-CD1 4.18Å; I10-F60 HydrophobicContact CD1-CG 4.43Å
11	T	92.2	Very high	92.6	Very high	62 Å²	62	44.6 Å²	44.6	38%	0.38	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-0.5	174.6	56.3	0	0	0	0	112.9	P9 T55	P9-T11 PolarHBondContact O-N 3.18Å; P9-T11 VanDerWaalsContact O-N 3.11Å; T11-T55 HydrophobicContact CG2-CG2 3.76Å
12	S	85.8	Confident	92.5	Very high	39 Å²	39	42.4 Å²	42.4	27%	0.273	27%	0.265	S	S	.	.	S	Bend	trans	-63.2	140.6	166	-65	0	0	0	0	108.1	P9 Y14	P9-S12 WeakPolarHBondContact CD-OG 3.32Å; P9-S12 WeakPolarHBondContact O-CB 3.4Å; P9-S12 PolarHBondContact O-N 2.91Å; P9-S12 PolarHBondContact O-OG 3.09Å; P9-S12 VanDerWaalsContact O-OG 3.1Å; S12-Y14 WeakPolarHBondContact O-CB 3.17Å; S12-Y14 WeakPolarHBondContact O-CD2 3.12Å; S12-Y14 PolarHBondContact O-N 3.37Å
13	G	86.3	Confident	92.4	Very high	36 Å²	36	43.6 Å²	43.6	37%	0.371	27%	0.274	S	S	.	.	S	Bend	trans	-53.8	72.6	-169.9	0	0	0	0	0	115	D82	G13-D82 WeakPolarHBondContact O-CB 3.16Å; G13-D82 PolarHBondContact O-N 3.21Å
14	Y	88.6	Confident	92.3	Very high	49 Å²	49	47.2 Å²	47.2	19%	0.192	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.5	-178.5	-76.9	-89.6	0	0	0	108.8	F8 S12 W16 H35 D80 D88	F8-Y14 HydrophobicContact CD2-CD2 4.05Å; F8-Y14 AromaticContact CD2-CE2 3.82Å; F8-Y14 HydrophobicContact CD2-CE2 3.82Å; F8-Y14 AromaticContact CE2-CD2 3.41Å; F8-Y14 HydrophobicContact CE2-CD2 3.41Å; F8-Y14 VanDerWaalsContact CE2-CD2 3.41Å; F8-Y14 HydrophobicContact CE2-CE1 4.41Å; F8-Y14 AromaticContact CE2-CE2 3.26Å; F8-Y14 HydrophobicContact CE2-CE2 3.26Å; F8-Y14 HydrophobicContact CE2-CG 4.08Å; F8-Y14 AromaticContact CE2-CZ 3.82Å; F8-Y14 HydrophobicContact CZ-CD2 4.2Å; F8-Y14 HydrophobicContact CZ-CE1 4.27Å; F8-Y14 AromaticContact CZ-CE2 3.74Å; F8-Y14 HydrophobicContact CZ-CE2 3.74Å; F8-Y14 AromaticContact CZ-CZ 3.8Å; S12-Y14 WeakPolarHBondContact O-CB 3.17Å; S12-Y14 WeakPolarHBondContact O-CD2 3.12Å; S12-Y14 PolarHBondContact O-N 3.37Å; Y14-W16 HydrophobicContact CD2-CZ2 4.25Å; Y14-W16 HydrophobicContact CG-CH2 4.25Å; Y14-W16 HydrophobicContact CG-CZ2 4.02Å; Y14-H35 PolarHBondContact O-N 3.18Å; Y14-H35 VanDerWaalsContact O-N 3.1Å; Y14-D80 CarbonylContact C-O 3.44Å; Y14-D80 WeakPolarHBondContact CA-O 3.45Å; Y14-D80 WeakPolarHBondContact CD1-O 3.38Å; Y14-D88 HydrophobicContact CE1-CB 4.42Å
15	Y	91.8	Very high	92.3	Very high	62 Å²	62	50.4 Å²	50.4	24%	0.243	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.4	162.4	-54.8	-71.7	0	0	0	108.5	I17 Y32 T34 G79 D80 D82	Y15-I17 WeakPolarHBondContact O-CD1 3.4Å; Y15-Y32 HydrophobicContact CD1-CD2 4.06Å; Y15-Y32 AromaticContact CD1-CE2 3.92Å; Y15-Y32 HydrophobicContact CD1-CE2 3.92Å; Y15-Y32 HydrophobicContact CE1-CE2 4.48Å; Y15-T34 HydrophobicContact CD1-CG2 3.78Å; Y15-T34 HydrophobicContact CE1-CG2 3.78Å; Y15-G79 WeakPolarHBondContact O-CA 3.45Å; Y15-D80 PolarHBondContact N-O 2.67Å; Y15-D80 PolarHBondContact O-N 2.83Å; Y15-D82 HydrophobicContact CE2-CB 4.21Å; Y15-D82 PolarHBondContact OH-OD1 2.7Å
16	W	94.2	Very high	92.3	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.011	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	113.4	-177.7	-61.1	109	0	0	0	110.1	I5 F8 I10 Y14 Y32 I33 F60	I5-W16 HydrophobicContact CB-CH2 4.25Å; I5-W16 HydrophobicContact CD1-CD2 3.56Å; I5-W16 VanDerWaalsContact CD1-CE2 3.43Å; I5-W16 HydrophobicContact CD1-CE3 3.72Å; I5-W16 HydrophobicContact CD1-CG 4.26Å; I5-W16 HydrophobicContact CD1-CH2 3.54Å; I5-W16 HydrophobicContact CD1-CZ2 3.43Å; I5-W16 VanDerWaalsContact CD1-CZ2 3.43Å; I5-W16 HydrophobicContact CD1-CZ3 3.72Å; I5-W16 HydrophobicContact CG1-CD2 4.39Å; I5-W16 HydrophobicContact CG1-CE3 4.05Å; I5-W16 HydrophobicContact CG1-CH2 3.62Å; I5-W16 HydrophobicContact CG1-CZ2 4.04Å; I5-W16 HydrophobicContact CG1-CZ3 3.66Å; I5-W16 HydrophobicContact CG2-CH2 3.58Å; I5-W16 HydrophobicContact CG2-CZ2 4.04Å; I5-W16 HydrophobicContact CG2-CZ3 4.34Å; F8-W16 HydrophobicContact CD2-CH2 4.34Å; F8-W16 HydrophobicContact CD2-CZ2 4.33Å; F8-W16 AromaticContact CE2-CH2 3.29Å; F8-W16 HydrophobicContact CE2-CH2 3.29Å; F8-W16 AromaticContact CE2-CZ2 3.57Å; F8-W16 HydrophobicContact CE2-CZ2 3.57Å; F8-W16 AromaticContact CZ-CH2 3.65Å; F8-W16 HydrophobicContact CZ-CH2 3.65Å; F8-W16 HydrophobicContact CZ-CZ2 4.37Å; I10-W16 HydrophobicContact CG1-CD2 4.48Å; I10-W16 HydrophobicContact CG1-CG 4.28Å; I10-W16 PolarHBondContact O-NE1 3.09Å; Y14-W16 HydrophobicContact CD2-CZ2 4.25Å; Y14-W16 HydrophobicContact CG-CH2 4.25Å; Y14-W16 HydrophobicContact CG-CZ2 4.02Å; W16-Y32 CarbonylContact O-C 3.55Å; W16-Y32 WeakPolarHBondContact O-CA 3.49Å; W16-Y32 VanDerWaalsContact O-CB 3.31Å; W16-Y32 WeakPolarHBondContact O-CB 3.44Å; W16-I33 HydrophobicContact CB-CG2 3.83Å; W16-I33 PolarHBondContact N-O 3.48Å; W16-I33 PolarHBondContact O-N 2.81Å; W16-F60 HydrophobicContact CB-CD1 4.07Å; W16-F60 HydrophobicContact CB-CD2 3.99Å; W16-F60 HydrophobicContact CB-CE1 3.88Å; W16-F60 HydrophobicContact CB-CE2 3.81Å; W16-F60 HydrophobicContact CB-CG 4.11Å; W16-F60 HydrophobicContact CB-CZ 3.73Å; W16-F60 HydrophobicContact CD2-CE1 4.35Å; W16-F60 HydrophobicContact CE3-CE1 4.08Å; W16-F60 HydrophobicContact CE3-CZ 4.48Å; W16-F60 HydrophobicContact CG-CD1 4.39Å; W16-F60 HydrophobicContact CG-CE1 4.3Å
17	I	94.8	Very high	92.5	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.036	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.2	-159.3	-60.7	137.4	0	0	0	109.6	Y15 I19 Y32 C77 A78 D80 F87	Y15-I17 WeakPolarHBondContact O-CD1 3.4Å; I17-I19 HydrophobicContact CG2-CD1 4.24Å; I17-I19 HydrophobicContact CG2-CG1 3.87Å; I17-Y32 VanDerWaalsContact CG1-CB 3.46Å; I17-Y32 HydrophobicContact CG1-CG 4.33Å; I17-C77 CarbonylContact O-C 3.56Å; I17-C77 WeakPolarHBondContact O-CA 3.38Å; I17-A78 HydrophobicContact CB-CB 4.49Å; I17-A78 PolarHBondContact N-O 3.11Å; I17-A78 PolarHBondContact O-N 2.92Å; I17-D80 HydrophobicContact CD1-CB 3.52Å; I17-F87 HydrophobicContact CB-CE1 4.07Å; I17-F87 HydrophobicContact CD1-CD1 3.77Å; I17-F87 HydrophobicContact CD1-CE1 3.34Å; I17-F87 HydrophobicContact CD1-CZ 4.46Å; I17-F87 HydrophobicContact CG1-CE1 4.13Å; I17-F87 HydrophobicContact CG2-CE1 3.97Å
18	W	96.4	Very high	92.8	Very high	8 Å²	8	51.9 Å²	51.9	3%	0.03	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.4	168.5	-78.5	103	0	0	0	110.5	L1 C3 M30 G31 F60 L62 Y76 C77	L1-W18 HydrophobicContact CB-CH2 3.72Å; L1-W18 HydrophobicContact CB-CZ2 4.25Å; L1-W18 HydrophobicContact CB-CZ3 4.11Å; L1-W18 HydrophobicContact CD1-CZ3 4.33Å; C3-W18 HydrophobicContact CB-CH2 4.02Å; C3-W18 HydrophobicContact CB-CZ2 3.93Å; W18-M30 HydrophobicContact CB-CB 4.25Å; W18-M30 WeakPolarHBondContact O-CB 3.4Å; W18-M30 PolarHBondContact O-N 2.93Å; W18-G31 PolarHBondContact N-O 2.81Å; W18-F60 AromaticContact CD1-CD2 3.86Å; W18-F60 AromaticContact CD1-CE2 3.56Å; W18-F60 HydrophobicContact CD2-CE2 4.3Å; W18-F60 AromaticContact CE2-CD2 3.98Å; W18-F60 AromaticContact CE2-CE2 3.67Å; W18-F60 HydrophobicContact CG-CE2 4.24Å; W18-F60 HydrophobicContact CZ2-CD2 4.44Å; W18-F60 HydrophobicContact CZ2-CE2 4.25Å; W18-F60 AromaticContact NE1-CD2 3.21Å; W18-F60 AromaticContact NE1-CE2 3.16Å; W18-L62 HydrophobicContact CB-CD2 4.1Å; W18-L62 HydrophobicContact CD2-CB 3.59Å; W18-L62 HydrophobicContact CD2-CD2 3.8Å; W18-L62 HydrophobicContact CD2-CG 4.3Å; W18-L62 HydrophobicContact CE3-CB 4.24Å; W18-L62 HydrophobicContact CE3-CD2 3.9Å; W18-L62 HydrophobicContact CG-CB 3.82Å; W18-L62 HydrophobicContact CG-CD1 4.49Å; W18-L62 HydrophobicContact CG-CD2 3.89Å; W18-L62 HydrophobicContact CG-CG 4.3Å; W18-L62 HydrophobicContact CH2-CB 4.49Å; W18-L62 HydrophobicContact CZ2-CB 3.88Å; W18-Y76 VanDerWaalsContact CE3-O 3.27Å; W18-C77 HydrophobicContact CE3-CB 4.35Å; W18-C77 HydrophobicContact CH2-CB 4.2Å; W18-C77 HydrophobicContact CZ2-CB 4.45Å; W18-C77 HydrophobicContact CZ3-CB 4.14Å
19	I	95.7	Very high	93	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.031	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.2	-178.4	-55.6	174.4	0	0	0	107.1	I17 L27 E28 Y75 Y76 A78 F87 W90	I17-I19 HydrophobicContact CG2-CD1 4.24Å; I17-I19 HydrophobicContact CG2-CG1 3.87Å; I19-L27 HydrophobicContact CG2-CB 3.86Å; I19-L27 HydrophobicContact CG2-CD2 4.05Å; I19-L27 HydrophobicContact CG2-CG 4.4Å; I19-E28 CarbonylContact C-O 3.58Å; I19-E28 WeakPolarHBondContact CA-O 3.37Å; I19-Y75 CarbonylContact O-C 3.46Å; I19-Y75 WeakPolarHBondContact O-CA 3.31Å; I19-Y76 PolarHBondContact N-O 3.16Å; I19-Y76 PolarHBondContact O-N 3.12Å; I19-A78 HydrophobicContact CD1-CB 4.17Å; I19-F87 HydrophobicContact CD1-CE1 4.04Å; I19-F87 HydrophobicContact CD1-CE2 4.35Å; I19-F87 HydrophobicContact CD1-CZ 3.87Å; I19-W90 HydrophobicContact CD1-CH2 3.31Å; I19-W90 HydrophobicContact CD1-CZ2 4.02Å; I19-W90 HydrophobicContact CD1-CZ3 3.76Å
20	R	95.4	Very high	93.2	Very high	20 Å²	20	49.8 Å²	49.8	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	157.3	171.3	69.5	176	-177.9	-177	0.7	111.7	E28 M30 D71 A73 M74 Y75	R20-E28 HydrophobicContact CG-CB 4.17Å; R20-E28 IonicContact CZ-OE2 2.94Å; R20-E28 VanDerWaalsContact CZ-OE2 3.24Å; R20-E28 PolarHBondContact N-O 2.76Å; R20-E28 IonicContact NE-OE2 2.74Å; R20-E28 PolarHBondContact NE-OE2 2.81Å; R20-E28 IonicContact NH2-OE1 2.87Å; R20-E28 IonicContact NH2-OE2 2.76Å; R20-E28 PolarHBondContact NH2-OE2 2.77Å; R20-E28 PolarHBondContact O-N 3.26Å; R20-M30 HydrophobicContact CB-CG 4.29Å; R20-M30 HydrophobicContact CB-SD 3.73Å; R20-M30 HydrophobicContact CG-CE 4.5Å; R20-M30 HydrophobicContact CG-CG 3.92Å; R20-M30 HydrophobicContact CG-SD 3.79Å; R20-D71 IonicContact NH1-OD1 3.65Å; R20-D71 PolarHBondContact NH1-OD1 2.86Å; R20-A73 HydrophobicContact CB-CB 4.15Å; R20-M74 CarbonylContact C-O 3.45Å; R20-M74 VanDerWaalsContact CA-O 3.25Å; R20-M74 WeakPolarHBondContact CA-O 3.33Å; R20-Y75 HydrophobicContact CB-CD1 3.92Å; R20-Y75 HydrophobicContact CB-CE1 3.91Å; R20-Y75 HydrophobicContact CB-CG 4.36Å
21	Q	95.9	Very high	93.3	Very high	68 Å²	68	49.8 Å²	49.8	32%	0.318	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	104.7	175.1	-165	179.9	18.9	0	0	109.6	K25 L27 A73 M74 Y76	Q21-K25 WeakPolarHBondContact CG-O 3.4Å; Q21-K25 PolarHBondContact NE2-O 3.11Å; Q21-L27 HydrophobicContact CB-CD2 3.85Å; Q21-L27 HydrophobicContact CG-CD2 4.04Å; Q21-A73 WeakPolarHBondContact O-CA 3.31Å; Q21-A73 WeakPolarHBondContact O-CB 3.25Å; Q21-M74 HydrophobicContact CB-CB 4.48Å; Q21-M74 PolarHBondContact N-O 3.1Å; Q21-M74 PolarHBondContact O-N 3.08Å; Q21-Y76 HydrophobicContact CB-CE2 3.89Å; Q21-Y76 PolarHBondContact OE1-OH 3.37Å
22	S	94.7	Very high	93.5	Very high	16 Å²	16	49.6 Å²	49.6	11%	0.112	28%	0.28	C	S	.	.			trans	-70.3	153.1	170.8	-49.9	0	0	0	0	110.2	G24 K25	S22-G24 PolarHBondContact O-N 2.85Å; S22-K25 PolarHBondContact O-N 3.26Å
23	P	94.3	Very high	93.9	Very high	106 Å²	106	48 Å²	48	69%	0.688	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	125.3	176	-26.7	34.8	0	0	0	112	K25 T72	P23-K25 PolarHBondContact O-N 2.97Å; P23-T72 WeakPolarHBondContact CD-O 3.13Å
24	G	94.5	Very high	94.2	Very high	92 Å²	92	46.5 Å²	46.5	95%	0.948	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	6.6	179.6	0	0	0	0	0	115.8	S22	S22-G24 PolarHBondContact O-N 2.85Å
25	K	93.8	Very high	94.3	Very high	136 Å²	136	47.1 Å²	47.1	59%	0.591	26%	0.257	S	S	*	.	S	Bend	trans	-109.1	156.7	177.4	-66.5	-165.4	-175.6	175.4	0	111.8	Q21 S22 P23	Q21-K25 WeakPolarHBondContact CG-O 3.4Å; Q21-K25 PolarHBondContact NE2-O 3.11Å; S22-K25 PolarHBondContact O-N 3.26Å; P23-K25 PolarHBondContact O-N 2.97Å
26	P	94.1	Very high	94.3	Very high	107 Å²	107	47.5 Å²	47.5	70%	0.695	27%	0.268	S	S	*	.			trans	-65.3	170.8	171	29.8	-36.4	0	0	0	111.5	E28	P26-E28 PolarHBondContact O-N 2.8Å
27	L	94.3	Very high	94.2	Very high	87 Å²	87	48.8 Å²	48.8	46%	0.455	28%	0.282	S	S	.	.			trans	-62.4	132	170.3	-63.9	176.7	0	0	0	110.1	I19 Q21 Y76 W90	I19-L27 HydrophobicContact CG2-CB 3.86Å; I19-L27 HydrophobicContact CG2-CD2 4.05Å; I19-L27 HydrophobicContact CG2-CG 4.4Å; Q21-L27 HydrophobicContact CB-CD2 3.85Å; Q21-L27 HydrophobicContact CG-CD2 4.04Å; L27-Y76 HydrophobicContact CD2-CD2 4.28Å; L27-Y76 HydrophobicContact CD2-CE2 4Å; L27-W90 HydrophobicContact CD1-CH2 3.9Å; L27-W90 HydrophobicContact CD1-CZ3 4.4Å
28	E	93.9	Very high	94.1	Very high	58 Å²	58	54 Å²	54	27%	0.271	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.2	176.5	-175.1	-177.9	-162.3	0	0	108.9	I19 R20 P26	I19-E28 CarbonylContact C-O 3.58Å; I19-E28 WeakPolarHBondContact CA-O 3.37Å; R20-E28 HydrophobicContact CG-CB 4.17Å; R20-E28 IonicContact CZ-OE2 2.94Å; R20-E28 VanDerWaalsContact CZ-OE2 3.24Å; R20-E28 PolarHBondContact N-O 2.76Å; R20-E28 IonicContact NE-OE2 2.74Å; R20-E28 PolarHBondContact NE-OE2 2.81Å; R20-E28 IonicContact NH2-OE1 2.87Å; R20-E28 IonicContact NH2-OE2 2.76Å; R20-E28 PolarHBondContact NH2-OE2 2.77Å; R20-E28 PolarHBondContact O-N 3.26Å; P26-E28 PolarHBondContact O-N 2.8Å
29	W	93.4	Very high	94.1	Very high	83 Å²	83	56.1 Å²	56.1	31%	0.314	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	131.9	171.2	167.7	70.4	0	0	0	109.9	G31 Y32 Y41 N42	W29-G31 PolarHBondContact NE1-O 3.35Å; W29-Y32 AromaticContact CZ2-CD1 3.66Å; W29-Y32 HydrophobicContact CZ2-CD1 3.66Å; W29-Y32 AromaticContact CZ2-CE1 3.96Å; W29-Y32 HydrophobicContact CZ2-CE1 3.96Å; W29-Y32 AromaticContact NE1-CD1 3.86Å; W29-Y41 VanDerWaalsContact CH2-C 3.5Å; W29-N42 HydrophobicContact CD2-CB 4.18Å; W29-N42 HydrophobicContact CE3-CB 3.41Å; W29-N42 VanDerWaalsContact CE3-CB 3.41Å; W29-N42 HydrophobicContact CH2-CB 4.06Å; W29-N42 HydrophobicContact CZ3-CB 3.36Å; W29-N42 WeakPolarHBondContact O-CB 3.41Å; W29-N42 PolarHBondContact O-ND2 2.94Å
30	M	95	Very high	94.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-39.8	-178.2	-60.5	-171.7	76.8	0	0	112.5	W18 R20 N42 L45 I49 L62 L64 Y75	W18-M30 HydrophobicContact CB-CB 4.25Å; W18-M30 WeakPolarHBondContact O-CB 3.4Å; W18-M30 PolarHBondContact O-N 2.93Å; R20-M30 HydrophobicContact CB-CG 4.29Å; R20-M30 HydrophobicContact CB-SD 3.73Å; R20-M30 HydrophobicContact CG-CE 4.5Å; R20-M30 HydrophobicContact CG-CG 3.92Å; R20-M30 HydrophobicContact CG-SD 3.79Å; M30-N42 WeakPolarHBondContact O-CB 2.84Å; M30-N42 PolarHBondContact O-N 3.08Å; M30-L45 HydrophobicContact CB-CD1 3.94Å; M30-L45 HydrophobicContact CE-CD2 3.98Å; M30-L45 HydrophobicContact CG-CD2 4.28Å; M30-L45 WeakPolarHBondContact O-CD1 3.19Å; M30-I49 HydrophobicContact CB-CD1 3.94Å; M30-I49 HydrophobicContact CE-CD1 4.3Å; M30-I49 HydrophobicContact CE-CG2 3.86Å; M30-L62 HydrophobicContact CE-CD2 4.26Å; M30-L62 HydrophobicContact SD-CD2 3.88Å; M30-L64 HydrophobicContact CE-CD2 4.2Å; M30-Y75 HydrophobicContact CE-CE1 3.91Å; M30-Y75 HydrophobicContact SD-CD1 3.84Å; M30-Y75 HydrophobicContact SD-CE1 3.61Å
31	G	95.2	Very high	94	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.4	172.5	-174.2	0	0	0	0	0	110.9	W18 W29 F40 I51	W18-G31 PolarHBondContact N-O 2.81Å; W29-G31 PolarHBondContact NE1-O 3.35Å; G31-F40 CarbonylContact C-O 3.52Å; G31-F40 WeakPolarHBondContact CA-O 3.38Å; G31-I51 VanDerWaalsContact C-CD1 3.44Å
32	Y	94.8	Very high	93.9	Very high	59 Å²	59	61.8 Å²	61.8	23%	0.231	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	162.3	174.1	66.8	-96.5	0	0	0	112.4	Y15 W16 I17 W29 T34 T39 F40	Y15-Y32 HydrophobicContact CD1-CD2 4.06Å; Y15-Y32 AromaticContact CD1-CE2 3.92Å; Y15-Y32 HydrophobicContact CD1-CE2 3.92Å; Y15-Y32 HydrophobicContact CE1-CE2 4.48Å; W16-Y32 CarbonylContact O-C 3.55Å; W16-Y32 WeakPolarHBondContact O-CA 3.49Å; W16-Y32 VanDerWaalsContact O-CB 3.31Å; W16-Y32 WeakPolarHBondContact O-CB 3.44Å; I17-Y32 VanDerWaalsContact CG1-CB 3.46Å; I17-Y32 HydrophobicContact CG1-CG 4.33Å; W29-Y32 AromaticContact CZ2-CD1 3.66Å; W29-Y32 HydrophobicContact CZ2-CD1 3.66Å; W29-Y32 AromaticContact CZ2-CE1 3.96Å; W29-Y32 HydrophobicContact CZ2-CE1 3.96Å; W29-Y32 AromaticContact NE1-CD1 3.86Å; Y32-T34 HydrophobicContact CD2-CG2 4.25Å; Y32-T34 HydrophobicContact CE2-CG2 3.82Å; Y32-T39 WeakPolarHBondContact O-CA 3.49Å; Y32-F40 HydrophobicContact CD1-CB 4.08Å; Y32-F40 HydrophobicContact CD2-CB 4.46Å; Y32-F40 HydrophobicContact CD2-CD2 4.24Å; Y32-F40 HydrophobicContact CE1-CB 3.57Å; Y32-F40 HydrophobicContact CE1-CD2 4.38Å; Y32-F40 HydrophobicContact CE1-CG 4.13Å; Y32-F40 HydrophobicContact CE2-CB 4.01Å; Y32-F40 AromaticContact CE2-CD2 3.37Å; Y32-F40 HydrophobicContact CE2-CD2 3.37Å; Y32-F40 HydrophobicContact CE2-CE2 4.14Å; Y32-F40 AromaticContact CE2-CG 3.96Å; Y32-F40 HydrophobicContact CE2-CG 3.96Å; Y32-F40 HydrophobicContact CG-CB 4.49Å; Y32-F40 AromaticContact CZ-CD2 3.45Å; Y32-F40 VanDerWaalsContact CZ-CD2 3.45Å; Y32-F40 AromaticContact CZ-CG 3.57Å; Y32-F40 PolarHBondContact N-O 2.99Å; Y32-F40 PolarHBondContact O-N 3.16Å; Y32-F40 VanDerWaalsContact OH-CD2 3.31Å; Y32-F40 WeakPolarHBondContact OH-CD2 3.39Å; Y32-F40 WeakPolarHBondContact OH-CG 3.46Å
33	I	95.5	Very high	93.7	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.7	168.5	-171	164.1	0	0	0	109.7	W16 E38 T39 I51 R53 F60	W16-I33 HydrophobicContact CB-CG2 3.83Å; W16-I33 PolarHBondContact N-O 3.48Å; W16-I33 PolarHBondContact O-N 2.81Å; I33-E38 CarbonylContact C-O 3.54Å; I33-E38 VanDerWaalsContact CA-O 3.27Å; I33-E38 WeakPolarHBondContact CA-O 3.39Å; I33-T39 HydrophobicContact CB-CG2 4.06Å; I33-T39 HydrophobicContact CD1-CG2 3.8Å; I33-T39 HydrophobicContact CG1-CG2 3.83Å; I33-I51 HydrophobicContact CB-CG2 3.83Å; I33-I51 HydrophobicContact CG2-CG2 3.87Å; I33-R53 HydrophobicContact CD1-CB 3.99Å; I33-R53 HydrophobicContact CD1-CG 3.78Å; I33-F60 HydrophobicContact CG2-CB 4.28Å; I33-F60 HydrophobicContact CG2-CD2 4.21Å; I33-F60 HydrophobicContact CG2-CG 4.49Å
34	T	92.9	Very high	93.3	Very high	5 Å²	5	66 Å²	66	3%	0.031	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	166	179.8	69.8	0	0	0	0	111.3	Y15 Y32 S36 G37 E38 F40 R53	Y15-T34 HydrophobicContact CD1-CG2 3.78Å; Y15-T34 HydrophobicContact CE1-CG2 3.78Å; Y32-T34 HydrophobicContact CD2-CG2 4.25Å; Y32-T34 HydrophobicContact CE2-CG2 3.82Å; T34-S36 PolarHBondContact O-N 2.74Å; T34-S36 PolarHBondContact OG1-N 2.94Å; T34-S36 PolarHBondContact OG1-OG 3Å; T34-G37 PolarHBondContact O-N 2.88Å; T34-G37 PolarHBondContact OG1-N 3.44Å; T34-E38 HydrophobicContact CG2-CB 3.98Å; T34-E38 PolarHBondContact N-O 3.08Å; T34-E38 PolarHBondContact OG1-N 3.16Å; T34-F40 HydrophobicContact CG2-CD2 4.48Å; T34-F40 HydrophobicContact CG2-CE2 4.25Å; T34-R53 PolarHBondContact O-NH1 2.58Å; T34-R53 VanDerWaalsContact O-NH1 3.17Å
35	H	89.3	Confident	92.9	Very high	62 Å²	62	62.8 Å²	62.8	29%	0.287	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.7	168.2	68.7	-93.4	0	0	0	113.2	Y14 R53 D82	Y14-H35 PolarHBondContact O-N 3.18Å; Y14-H35 VanDerWaalsContact O-N 3.1Å; H35-R53 PolarHBondContact O-NH1 3.35Å; H35-R53 PolarHBondContact O-NH2 2.89Å; H35-D82 IonicContact CE1-OD2 3.24Å
36	S	91.6	Very high	92.1	Very high	69 Å²	69	64.1 Å²	64.1	48%	0.483	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.7	171.6	59.1	0	0	0	0	113.1	T34 R53	T34-S36 PolarHBondContact O-N 2.74Å; T34-S36 PolarHBondContact OG1-N 2.94Å; T34-S36 PolarHBondContact OG1-OG 3Å; S36-R53 VanDerWaalsContact C-NH2 3.29Å; S36-R53 PolarHBondContact O-NH2 2.99Å
37	G	92.1	Very high	91.4	Very high	30 Å²	30	59.8 Å²	59.8	31%	0.309	32%	0.315	S	S	.	.			trans	98.1	7.3	178.3	0	0	0	0	0	114.3	T34	T34-G37 PolarHBondContact O-N 2.88Å; T34-G37 PolarHBondContact OG1-N 3.44Å
38	E	94.1	Very high	91.1	Very high	117 Å²	117	58.8 Å²	58.8	55%	0.547	31%	0.313	S	S	.	.			trans	-71.6	143	172.3	-63.5	177.5	147.1	0	0	110	I33 T34 F40	I33-E38 CarbonylContact C-O 3.54Å; I33-E38 VanDerWaalsContact CA-O 3.27Å; I33-E38 WeakPolarHBondContact CA-O 3.39Å; T34-E38 HydrophobicContact CG2-CB 3.98Å; T34-E38 PolarHBondContact N-O 3.08Å; T34-E38 PolarHBondContact OG1-N 3.16Å; E38-F40 HydrophobicContact CB-CE2 3.98Å
39	T	95.9	Very high	91.1	Very high	53 Å²	53	56.9 Å²	56.9	33%	0.325	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	139	-177.8	54.9	0	0	0	0	110.9	Y32 I33 Y41 I51	Y32-T39 WeakPolarHBondContact O-CA 3.49Å; I33-T39 HydrophobicContact CB-CG2 4.06Å; I33-T39 HydrophobicContact CD1-CG2 3.8Å; I33-T39 HydrophobicContact CG1-CG2 3.83Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.35Å; T39-Y41 PolarHBondContact OG1-OH 2.77Å; T39-I51 HydrophobicContact CG2-CB 4.43Å; T39-I51 WeakPolarHBondContact CG2-O 3.49Å
40	F	94.6	Very high	91.2	Very high	92 Å²	92	54.4 Å²	54.4	40%	0.404	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	137.2	176.7	-68.2	-95.4	0	0	0	109	G31 Y32 T34 E38	G31-F40 CarbonylContact C-O 3.52Å; G31-F40 WeakPolarHBondContact CA-O 3.38Å; Y32-F40 HydrophobicContact CD1-CB 4.08Å; Y32-F40 HydrophobicContact CD2-CB 4.46Å; Y32-F40 HydrophobicContact CD2-CD2 4.24Å; Y32-F40 HydrophobicContact CE1-CB 3.57Å; Y32-F40 HydrophobicContact CE1-CD2 4.38Å; Y32-F40 HydrophobicContact CE1-CG 4.13Å; Y32-F40 HydrophobicContact CE2-CB 4.01Å; Y32-F40 AromaticContact CE2-CD2 3.37Å; Y32-F40 HydrophobicContact CE2-CD2 3.37Å; Y32-F40 HydrophobicContact CE2-CE2 4.14Å; Y32-F40 AromaticContact CE2-CG 3.96Å; Y32-F40 HydrophobicContact CE2-CG 3.96Å; Y32-F40 HydrophobicContact CG-CB 4.49Å; Y32-F40 AromaticContact CZ-CD2 3.45Å; Y32-F40 VanDerWaalsContact CZ-CD2 3.45Å; Y32-F40 AromaticContact CZ-CG 3.57Å; Y32-F40 PolarHBondContact N-O 2.99Å; Y32-F40 PolarHBondContact O-N 3.16Å; Y32-F40 VanDerWaalsContact OH-CD2 3.31Å; Y32-F40 WeakPolarHBondContact OH-CD2 3.39Å; Y32-F40 WeakPolarHBondContact OH-CG 3.46Å; T34-F40 HydrophobicContact CG2-CD2 4.48Å; T34-F40 HydrophobicContact CG2-CE2 4.25Å; E38-F40 HydrophobicContact CB-CE2 3.98Å
41	Y	94.8	Very high	91.3	Very high	93 Å²	93	54.6 Å²	54.6	37%	0.365	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.1	-173	-59.9	-82.4	0	0	0	110.2	W29 T39 P43 I49 I51	W29-Y41 VanDerWaalsContact CH2-C 3.5Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.35Å; T39-Y41 PolarHBondContact OG1-OH 2.77Å; Y41-P43 WeakPolarHBondContact O-CD 3.03Å; Y41-I49 HydrophobicContact CD1-CD1 3.91Å; Y41-I49 HydrophobicContact CD1-CG1 3.71Å; Y41-I49 HydrophobicContact CE1-CD1 4.34Å; Y41-I49 HydrophobicContact CE1-CG1 3.98Å; Y41-I51 HydrophobicContact CD1-CD1 4.45Å; Y41-I51 HydrophobicContact CE1-CB 4.38Å; Y41-I51 HydrophobicContact CE1-CD1 4.2Å; Y41-I51 HydrophobicContact CE1-CG1 4.04Å; Y41-I51 PolarHBondContact OH-N 2.92Å
42	N	93.2	Very high	91.4	Very high	28 Å²	28	57.6 Å²	57.6	15%	0.15	32%	0.32	C	S	.	.			trans	-71.3	118.9	172.6	-174.8	-12.9	0	0	0	110.4	W29 M30 S44 L45	W29-N42 HydrophobicContact CD2-CB 4.18Å; W29-N42 HydrophobicContact CE3-CB 3.41Å; W29-N42 VanDerWaalsContact CE3-CB 3.41Å; W29-N42 HydrophobicContact CH2-CB 4.06Å; W29-N42 HydrophobicContact CZ3-CB 3.36Å; W29-N42 WeakPolarHBondContact O-CB 3.41Å; W29-N42 PolarHBondContact O-ND2 2.94Å; M30-N42 WeakPolarHBondContact O-CB 2.84Å; M30-N42 PolarHBondContact O-N 3.08Å; N42-S44 PolarHBondContact O-N 2.86Å; N42-S44 WeakPolarHBondContact OD1-CB 2.95Å; N42-S44 PolarHBondContact OD1-N 3.34Å; N42-L45 HydrophobicContact CB-CD1 3.99Å; N42-L45 HydrophobicContact CB-CG 3.98Å; N42-L45 WeakPolarHBondContact O-CB 3.32Å; N42-L45 PolarHBondContact O-N 2.89Å; N42-L45 VanDerWaalsContact O-N 3.13Å
43	P	90.1	Very high	91.4	Very high	122 Å²	122	58 Å²	58	79%	0.792	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.9	179.7	28.3	-36	0	0	0	113.3	Y41	Y41-P43 WeakPolarHBondContact O-CD 3.03Å
44	S	87.3	Confident	91.4	Very high	88 Å²	88	60.7 Å²	60.7	62%	0.615	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.3	177.1	-57.3	0	0	0	0	113.8	N42 Q46	N42-S44 PolarHBondContact O-N 2.86Å; N42-S44 WeakPolarHBondContact OD1-CB 2.95Å; N42-S44 PolarHBondContact OD1-N 3.34Å; S44-Q46 PolarHBondContact O-N 3.18Å
45	L	86.1	Confident	91.4	Very high	25 Å²	25	63.8 Å²	63.8	13%	0.131	35%	0.353	C	S	.	.			trans	-67.5	125	173.7	-83.5	167.9	0	0	0	110.4	M30 N42 I49	M30-L45 HydrophobicContact CB-CD1 3.94Å; M30-L45 HydrophobicContact CE-CD2 3.98Å; M30-L45 HydrophobicContact CG-CD2 4.28Å; M30-L45 WeakPolarHBondContact O-CD1 3.19Å; N42-L45 HydrophobicContact CB-CD1 3.99Å; N42-L45 HydrophobicContact CB-CG 3.98Å; N42-L45 WeakPolarHBondContact O-CB 3.32Å; N42-L45 PolarHBondContact O-N 2.89Å; N42-L45 VanDerWaalsContact O-N 3.13Å; L45-I49 HydrophobicContact CD1-CD1 3.62Å; L45-I49 HydrophobicContact CD1-CG1 4.12Å
46	Q	75.9	Confident	91.6	Very high	164 Å²	164	65.9 Å²	65.9	77%	0.766	37%	0.374	S	S	*	.	S	Bend	trans	-78.7	-32.4	174.7	-61	-175.4	30.4	0	0	112	S44	S44-Q46 PolarHBondContact O-N 3.18Å
47	S	79.8	Confident	91.8	Very high	15 Å²	15	68 Å²	68	11%	0.105	38%	0.375	C	S	.	.	S	Bend	trans	-90.2	128.6	-177.3	-53.8	0	0	0	0	111.2	I49 D71	S47-I49 PolarHBondContact O-N 3.13Å; S47-D71 WeakPolarHBondContact CB-OD1 3.45Å; S47-D71 PolarHBondContact OG-OD1 2.88Å; S47-D71 PolarHBondContact OG-OD2 3.05Å
48	P	87.9	Confident	91.9	Very high	66 Å²	66	68.2 Å²	68.2	43%	0.429	37%	0.369	S	S	.	.			trans	-67.4	128.2	175.8	26.3	-31.8	0	0	0	110.6	N65	P48-N65 HydrophobicContact CB-CB 4.37Å; P48-N65 HydrophobicContact CG-CB 4.23Å; P48-N65 WeakPolarHBondContact O-CB 3.48Å; P48-N65 PolarHBondContact O-N 2.9Å; P48-N65 VanDerWaalsContact O-N 3.08Å
49	I	94.2	Very high	92	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.097	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	160.7	177.3	64.6	167.4	0	0	0	110.9	M30 Y41 L45 S47 I51 L62 Q63 L64	M30-I49 HydrophobicContact CB-CD1 3.94Å; M30-I49 HydrophobicContact CE-CD1 4.3Å; M30-I49 HydrophobicContact CE-CG2 3.86Å; Y41-I49 HydrophobicContact CD1-CD1 3.91Å; Y41-I49 HydrophobicContact CD1-CG1 3.71Å; Y41-I49 HydrophobicContact CE1-CD1 4.34Å; Y41-I49 HydrophobicContact CE1-CG1 3.98Å; L45-I49 HydrophobicContact CD1-CD1 3.62Å; L45-I49 HydrophobicContact CD1-CG1 4.12Å; S47-I49 PolarHBondContact O-N 3.13Å; I49-I51 HydrophobicContact CD1-CD1 4.3Å; I49-I51 HydrophobicContact CD1-CG1 4.41Å; I49-L62 HydrophobicContact CB-CD1 3.78Å; I49-L62 HydrophobicContact CD1-CD1 3.84Å; I49-L62 HydrophobicContact CG1-CD1 4.35Å; I49-L62 HydrophobicContact CG2-CD1 4.12Å; I49-Q63 CarbonylContact C-O 3.6Å; I49-Q63 VanDerWaalsContact CA-O 3.31Å; I49-Q63 WeakPolarHBondContact CA-O 3.3Å; I49-L64 HydrophobicContact CG2-CD2 3.72Å
50	S	95.7	Very high	92	Very high	31 Å²	31	62.2 Å²	62.2	22%	0.217	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.3	168.7	176.5	0	0	0	0	109.4	Q63	S50-Q63 PolarHBondContact N-O 2.04Å; S50-Q63 PolarHBondContact O-N 2.94Å
51	I	96.8	Very high	92.2	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.3	176.5	-59.6	172.5	0	0	0	108.1	G31 I33 T39 Y41 I49 F61 L62	G31-I51 VanDerWaalsContact C-CD1 3.44Å; I33-I51 HydrophobicContact CB-CG2 3.83Å; I33-I51 HydrophobicContact CG2-CG2 3.87Å; T39-I51 HydrophobicContact CG2-CB 4.43Å; T39-I51 WeakPolarHBondContact CG2-O 3.49Å; Y41-I51 HydrophobicContact CD1-CD1 4.45Å; Y41-I51 HydrophobicContact CE1-CB 4.38Å; Y41-I51 HydrophobicContact CE1-CD1 4.2Å; Y41-I51 HydrophobicContact CE1-CG1 4.04Å; Y41-I51 PolarHBondContact OH-N 2.92Å; I49-I51 HydrophobicContact CD1-CD1 4.3Å; I49-I51 HydrophobicContact CD1-CG1 4.41Å; I51-F61 WeakPolarHBondContact CA-O 3.42Å; I51-L62 HydrophobicContact CG1-CD1 4.1Å
52	T	96.1	Very high	92.3	Very high	63 Å²	63	55.5 Å²	55.5	39%	0.387	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	165.9	-179.4	63.2	0	0	0	0	110.8	F60 F61	T52-F60 CarbonylContact O-C 3.55Å; T52-F60 VanDerWaalsContact O-CA 3.28Å; T52-F60 WeakPolarHBondContact O-CA 3.47Å; T52-F60 VanDerWaalsContact O-CB 3.31Å; T52-F60 WeakPolarHBondContact O-CB 3.42Å; T52-F61 PolarHBondContact N-O 3.38Å; T52-F61 PolarHBondContact O-N 2.92Å
53	R	95.3	Very high	92.4	Very high	66 Å²	66	59.4 Å²	59.4	25%	0.249	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.8	176.1	70.1	178.9	-174	174	2.4	112.7	I10 I33 T34 H35 S36 Q59 F60	I10-R53 HydrophobicContact CD1-CB 4.09Å; I33-R53 HydrophobicContact CD1-CB 3.99Å; I33-R53 HydrophobicContact CD1-CG 3.78Å; T34-R53 PolarHBondContact O-NH1 2.58Å; T34-R53 VanDerWaalsContact O-NH1 3.17Å; H35-R53 PolarHBondContact O-NH1 3.35Å; H35-R53 PolarHBondContact O-NH2 2.89Å; S36-R53 VanDerWaalsContact C-NH2 3.29Å; S36-R53 PolarHBondContact O-NH2 2.99Å; R53-Q59 WeakPolarHBondContact CA-O 3.02Å; R53-F60 HydrophobicContact CB-CB 4.08Å
54	E	95.2	Very high	92.5	Very high	62 Å²	62	55.2 Å²	55.2	29%	0.29	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	98.1	172.1	-175	172.9	-174.4	0	0	109.1	S56 K57 N58 Q59 F61	E54-S56 VanDerWaalsContact C-N 3.3Å; E54-S56 WeakPolarHBondContact CG-OG 3.41Å; E54-S56 PolarHBondContact O-N 2.81Å; E54-K57 HydrophobicContact CG-CB 4.24Å; E54-K57 HydrophobicContact CG-CD 4.39Å; E54-K57 HydrophobicContact CG-CG 4.09Å; E54-K57 PolarHBondContact O-N 2.87Å; E54-K57 WeakPolarHBondContact OE1-CE 3.41Å; E54-K57 IonicContact OE1-NZ 3.63Å; E54-K57 PolarHBondContact OE1-NZ 2.81Å; E54-K57 VanDerWaalsContact OE2-CD 3.29Å; E54-K57 WeakPolarHBondContact OE2-CD 3.33Å; E54-K57 WeakPolarHBondContact OE2-CE 3.5Å; E54-K57 IonicContact OE2-NZ 2.86Å; E54-K57 PolarHBondContact OE2-NZ 3.38Å; E54-N58 PolarHBondContact O-N 3.04Å; E54-N58 VanDerWaalsContact O-N 3.16Å; E54-Q59 PolarHBondContact N-O 2.87Å; E54-Q59 PolarHBondContact O-N 2.78Å; E54-F61 HydrophobicContact CB-CE2 3.64Å; E54-F61 HydrophobicContact CB-CZ 4.13Å
55	T	94.1	Very high	92.5	Very high	71 Å²	71	54.7 Å²	54.7	44%	0.436	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-61.5	-36.7	-174.6	-52.6	0	0	0	0	112.7	I10 T11 K57 N58	I10-T55 HydrophobicContact CG2-CG2 4.08Å; T11-T55 HydrophobicContact CG2-CG2 3.76Å; T55-K57 PolarHBondContact O-N 2.89Å; T55-N58 PolarHBondContact O-N 2.83Å; T55-N58 VanDerWaalsContact O-N 3.12Å
56	S	93.5	Very high	92.6	Very high	105 Å²	105	56.8 Å²	56.8	73%	0.734	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-61.8	-28.2	179.2	55.2	0	0	0	0	113.3	E54	E54-S56 VanDerWaalsContact C-N 3.3Å; E54-S56 WeakPolarHBondContact CG-OG 3.41Å; E54-S56 PolarHBondContact O-N 2.81Å
57	K	95.2	Very high	93.2	Very high	115 Å²	115	52.5 Å²	52.5	50%	0.5	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-101.9	-0.8	178.3	-63.3	-170.2	-169.3	136.7	0	113.4	E54 T55 Q59	E54-K57 HydrophobicContact CG-CB 4.24Å; E54-K57 HydrophobicContact CG-CD 4.39Å; E54-K57 HydrophobicContact CG-CG 4.09Å; E54-K57 PolarHBondContact O-N 2.87Å; E54-K57 WeakPolarHBondContact OE1-CE 3.41Å; E54-K57 IonicContact OE1-NZ 3.63Å; E54-K57 PolarHBondContact OE1-NZ 2.81Å; E54-K57 VanDerWaalsContact OE2-CD 3.29Å; E54-K57 WeakPolarHBondContact OE2-CD 3.33Å; E54-K57 WeakPolarHBondContact OE2-CE 3.5Å; E54-K57 IonicContact OE2-NZ 2.86Å; E54-K57 PolarHBondContact OE2-NZ 3.38Å; T55-K57 PolarHBondContact O-N 2.89Å; K57-Q59 VanDerWaalsContact C-N 3.25Å; K57-Q59 HydrophobicContact CB-CB 4.25Å; K57-Q59 HydrophobicContact CB-CG 4.22Å; K57-Q59 WeakPolarHBondContact O-CG 3.03Å; K57-Q59 PolarHBondContact O-N 2.9Å
58	N	95	Very high	93.7	Very high	34 Å²	34	54.8 Å²	54.8	18%	0.182	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.5	41.2	-174.8	-148	40.7	0	0	0	113.2	I5 F8 P9 I10 E54 T55	I5-N58 PolarHBondContact N-O 3Å; I5-N58 PolarHBondContact O-ND2 3.29Å; F8-N58 PolarHBondContact O-ND2 3.14Å; P9-N58 WeakPolarHBondContact CA-OD1 3.35Å; I10-N58 WeakPolarHBondContact CB-OD1 3.19Å; I10-N58 PolarHBondContact N-OD1 2.96Å; E54-N58 PolarHBondContact O-N 3.04Å; E54-N58 VanDerWaalsContact O-N 3.16Å; T55-N58 PolarHBondContact O-N 2.83Å; T55-N58 VanDerWaalsContact O-N 3.12Å
59	Q	96.2	Very high	93.8	Very high	43 Å²	43	55.5 Å²	55.5	20%	0.201	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	147.9	-171.5	-80.5	170.5	-4.5	0	0	111.9	T2 C3 S4 I10 R53 E54 K57 F61	T2-Q59 HydrophobicContact CG2-CB 4.37Å; T2-Q59 HydrophobicContact CG2-CG 4.09Å; C3-Q59 VanDerWaalsContact O-CA 3.3Å; C3-Q59 WeakPolarHBondContact O-CA 3.03Å; S4-Q59 WeakPolarHBondContact OG-CG 3.37Å; S4-Q59 PolarHBondContact OG-NE2 3.21Å; I10-Q59 VanDerWaalsContact CD1-C 3.46Å; I10-Q59 VanDerWaalsContact CD1-O 3.32Å; I10-Q59 WeakPolarHBondContact CD1-O 3.16Å; R53-Q59 WeakPolarHBondContact CA-O 3.02Å; E54-Q59 PolarHBondContact N-O 2.87Å; E54-Q59 PolarHBondContact O-N 2.78Å; K57-Q59 VanDerWaalsContact C-N 3.25Å; K57-Q59 HydrophobicContact CB-CB 4.25Å; K57-Q59 HydrophobicContact CB-CG 4.22Å; K57-Q59 WeakPolarHBondContact O-CG 3.03Å; K57-Q59 PolarHBondContact O-N 2.9Å; Q59-F61 HydrophobicContact CB-CE1 4.32Å; Q59-F61 HydrophobicContact CB-CE2 4.09Å; Q59-F61 HydrophobicContact CB-CZ 3.71Å
60	F	96.1	Very high	93.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.9	163	71.2	-69	0	0	0	111.6	C3 I5 I10 W16 W18 I33 T52 R53 C77	C3-F60 HydrophobicContact CB-CD1 3.85Å; C3-F60 HydrophobicContact CB-CE1 3.46Å; C3-F60 VanDerWaalsContact CB-CE1 3.46Å; C3-F60 HydrophobicContact CB-CZ 3.88Å; C3-F60 PolarHBondContact N-O 3.36Å; C3-F60 PolarHBondContact O-N 3.47Å; C3-F60 VanDerWaalsContact SG-CE1 3.54Å; I5-F60 HydrophobicContact CD1-CD1 3.98Å; I5-F60 HydrophobicContact CD1-CE1 4.18Å; I5-F60 HydrophobicContact CG1-CE1 4.41Å; I10-F60 HydrophobicContact CD1-CB 3.86Å; I10-F60 HydrophobicContact CD1-CD1 4.18Å; I10-F60 HydrophobicContact CD1-CG 4.43Å; W16-F60 HydrophobicContact CB-CD1 4.07Å; W16-F60 HydrophobicContact CB-CD2 3.99Å; W16-F60 HydrophobicContact CB-CE1 3.88Å; W16-F60 HydrophobicContact CB-CE2 3.81Å; W16-F60 HydrophobicContact CB-CG 4.11Å; W16-F60 HydrophobicContact CB-CZ 3.73Å; W16-F60 HydrophobicContact CD2-CE1 4.35Å; W16-F60 HydrophobicContact CE3-CE1 4.08Å; W16-F60 HydrophobicContact CE3-CZ 4.48Å; W16-F60 HydrophobicContact CG-CD1 4.39Å; W16-F60 HydrophobicContact CG-CE1 4.3Å; W18-F60 AromaticContact CD1-CD2 3.86Å; W18-F60 AromaticContact CD1-CE2 3.56Å; W18-F60 HydrophobicContact CD2-CE2 4.3Å; W18-F60 AromaticContact CE2-CD2 3.98Å; W18-F60 AromaticContact CE2-CE2 3.67Å; W18-F60 HydrophobicContact CG-CE2 4.24Å; W18-F60 HydrophobicContact CZ2-CD2 4.44Å; W18-F60 HydrophobicContact CZ2-CE2 4.25Å; W18-F60 AromaticContact NE1-CD2 3.21Å; W18-F60 AromaticContact NE1-CE2 3.16Å; I33-F60 HydrophobicContact CG2-CB 4.28Å; I33-F60 HydrophobicContact CG2-CD2 4.21Å; I33-F60 HydrophobicContact CG2-CG 4.49Å; T52-F60 CarbonylContact O-C 3.55Å; T52-F60 VanDerWaalsContact O-CA 3.28Å; T52-F60 WeakPolarHBondContact O-CA 3.47Å; T52-F60 VanDerWaalsContact O-CB 3.31Å; T52-F60 WeakPolarHBondContact O-CB 3.42Å; R53-F60 HydrophobicContact CB-CB 4.08Å; F60-C77 HydrophobicContact CE1-CB 4.12Å; F60-C77 HydrophobicContact CE2-CB 4.31Å; F60-C77 HydrophobicContact CZ-CB 3.52Å
61	F	97.2	Very high	93.2	Very high	43 Å²	43	59.1 Å²	59.1	19%	0.189	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	144.7	-165.5	-49.3	-89.7	0	0	0	110.3	L1 T2 I51 T52 E54 Q59	L1-F61 CarbonylContact O-C 3.48Å; L1-F61 WeakPolarHBondContact O-CA 3.38Å; T2-F61 HydrophobicContact CG2-CD1 3.8Å; T2-F61 HydrophobicContact CG2-CE1 3.49Å; T2-F61 VanDerWaalsContact CG2-CE1 3.49Å; T2-F61 HydrophobicContact CG2-CZ 4.4Å; T2-F61 VanDerWaalsContact OG1-CD1 3.3Å; T2-F61 WeakPolarHBondContact OG1-CD1 3.34Å; I51-F61 WeakPolarHBondContact CA-O 3.42Å; T52-F61 PolarHBondContact N-O 3.38Å; T52-F61 PolarHBondContact O-N 2.92Å; E54-F61 HydrophobicContact CB-CE2 3.64Å; E54-F61 HydrophobicContact CB-CZ 4.13Å; Q59-F61 HydrophobicContact CB-CE1 4.32Å; Q59-F61 HydrophobicContact CB-CE2 4.09Å; Q59-F61 HydrophobicContact CB-CZ 3.71Å
62	L	97	Very high	93.1	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.6	166	171.2	65.3	0	0	0	108.3	L1 W18 M30 I49 I51 L64 Y75	L1-L62 HydrophobicContact CB-CB 4.25Å; L1-L62 HydrophobicContact CD1-CD2 4.11Å; L1-L62 PolarHBondContact N-O 2.77Å; L1-L62 PolarHBondContact O-N 3.32Å; W18-L62 HydrophobicContact CB-CD2 4.1Å; W18-L62 HydrophobicContact CD2-CB 3.59Å; W18-L62 HydrophobicContact CD2-CD2 3.8Å; W18-L62 HydrophobicContact CD2-CG 4.3Å; W18-L62 HydrophobicContact CE3-CB 4.24Å; W18-L62 HydrophobicContact CE3-CD2 3.9Å; W18-L62 HydrophobicContact CG-CB 3.82Å; W18-L62 HydrophobicContact CG-CD1 4.49Å; W18-L62 HydrophobicContact CG-CD2 3.89Å; W18-L62 HydrophobicContact CG-CG 4.3Å; W18-L62 HydrophobicContact CH2-CB 4.49Å; W18-L62 HydrophobicContact CZ2-CB 3.88Å; M30-L62 HydrophobicContact CE-CD2 4.26Å; M30-L62 HydrophobicContact SD-CD2 3.88Å; I49-L62 HydrophobicContact CB-CD1 3.78Å; I49-L62 HydrophobicContact CD1-CD1 3.84Å; I49-L62 HydrophobicContact CG1-CD1 4.35Å; I49-L62 HydrophobicContact CG2-CD1 4.12Å; I51-L62 HydrophobicContact CG1-CD1 4.1Å; L62-L64 HydrophobicContact CD1-CD2 4.35Å; L62-L64 HydrophobicContact CD2-CD2 4.14Å; L62-L64 HydrophobicContact CG-CD2 4.09Å; L62-Y75 HydrophobicContact CD2-CD1 3.79Å; L62-Y75 HydrophobicContact CD2-CE1 4.05Å
63	Q	95.6	Very high	93.1	Very high	111 Å²	111	57.8 Å²	57.8	52%	0.519	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.6	171.2	-176.3	177.8	-0.6	0	0	108.8	I49 S50 N65	I49-Q63 CarbonylContact C-O 3.6Å; I49-Q63 VanDerWaalsContact CA-O 3.31Å; I49-Q63 WeakPolarHBondContact CA-O 3.3Å; S50-Q63 PolarHBondContact N-O 2.04Å; S50-Q63 PolarHBondContact O-N 2.94Å; Q63-N65 WeakPolarHBondContact CG-OD1 3.3Å
64	L	92.7	Very high	93.2	Very high	33 Å²	33	57.4 Å²	57.4	17%	0.173	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	115.7	171.5	-55.6	175.9	0	0	0	107	M30 I49 L62 V67 Y75	M30-L64 HydrophobicContact CE-CD2 4.2Å; I49-L64 HydrophobicContact CG2-CD2 3.72Å; L62-L64 HydrophobicContact CD1-CD2 4.35Å; L62-L64 HydrophobicContact CD2-CD2 4.14Å; L62-L64 HydrophobicContact CG-CD2 4.09Å; L64-V67 HydrophobicContact CB-CG2 3.71Å; L64-V67 HydrophobicContact CD1-CG2 4.47Å; L64-Y75 HydrophobicContact CD1-CE1 4.27Å; L64-Y75 HydrophobicContact CD2-CE1 4.14Å
65	N	88.1	Confident	93.3	Very high	78 Å²	78	54.6 Å²	54.6	42%	0.417	30%	0.3	S	S	.	.	S	Bend	trans	-87.5	-26.9	-171	-65.7	-35.9	0	0	0	113.1	P48 Q63	P48-N65 HydrophobicContact CB-CB 4.37Å; P48-N65 HydrophobicContact CG-CB 4.23Å; P48-N65 WeakPolarHBondContact O-CB 3.48Å; P48-N65 PolarHBondContact O-N 2.9Å; P48-N65 VanDerWaalsContact O-N 3.08Å; Q63-N65 WeakPolarHBondContact CG-OD1 3.3Å
66	S	86.2	Confident	93.4	Very high	69 Å²	69	53.3 Å²	53.3	48%	0.483	29%	0.288	S	S	.	.	S	Bend	trans	-141	103.8	177.1	-59.3	0	0	0	0	107.3
67	V	88.6	Confident	93.5	Very high	73 Å²	73	49 Å²	49	44%	0.442	26%	0.258	S	S	.	.			trans	-97.7	125	-172.2	-172	0	0	0	0	108.9	L64 D71 V98	L64-V67 HydrophobicContact CB-CG2 3.71Å; L64-V67 HydrophobicContact CD1-CG2 4.47Å; V67-D71 WeakPolarHBondContact CA-OD2 3.5Å; V67-D71 HydrophobicContact CG1-CB 4.19Å; V67-V98 HydrophobicContact CG1-CB 4.18Å; V67-V98 HydrophobicContact CG1-CG1 3.85Å; V67-V98 HydrophobicContact CG1-CG2 3.28Å
68	T	90.6	Very high	93.5	Very high	64 Å²	64	43.7 Å²	43.7	39%	0.393	24%	0.235	S	C	.	.			trans	-121	170.7	177.2	67.6	0	0	0	0	110.5	E70 D71 V98	T68-E70 PolarHBondContact O-N 3.04Å; T68-E70 VanDerWaalsContact O-N 3.16Å; T68-E70 PolarHBondContact OG1-N 2.76Å; T68-D71 PolarHBondContact N-OD2 2.82Å; T68-D71 WeakPolarHBondContact O-CB 3.22Å; T68-D71 PolarHBondContact O-N 2.89Å; T68-D71 PolarHBondContact OG1-OD2 2.78Å; T68-V98 WeakPolarHBondContact O-CB 3.07Å; T68-V98 WeakPolarHBondContact O-CG1 3.38Å
69	T	90.5	Very high	93.3	Very high	81 Å²	81	42.1 Å²	42.1	50%	0.497	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-58.4	-26.4	175.6	50.4	0	0	0	0	112.6	D71 T72	T69-D71 PolarHBondContact O-N 2.85Å; T69-T72 VanDerWaalsContact O-CB 3.32Å; T69-T72 WeakPolarHBondContact O-CB 3.31Å; T69-T72 PolarHBondContact O-N 2.72Å; T69-T72 PolarHBondContact O-OG1 2.61Å; T69-T72 VanDerWaalsContact O-OG1 3.09Å
70	E	87.5	Confident	92.9	Very high	124 Å²	124	41.5 Å²	41.5	58%	0.579	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-68.5	-20.7	176	-58.4	-172.7	176.2	0	0	113.5	T68 T72	T68-E70 PolarHBondContact O-N 3.04Å; T68-E70 VanDerWaalsContact O-N 3.16Å; T68-E70 PolarHBondContact OG1-N 2.76Å; E70-T72 PolarHBondContact O-N 3.38Å
71	D	90.4	Very high	92.3	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-80.3	3	174.9	-60.5	-59.9	0	0	0	112.4	R20 S47 V67 T68 T69 A73 Y75 V98	R20-D71 IonicContact NH1-OD1 3.65Å; R20-D71 PolarHBondContact NH1-OD1 2.86Å; S47-D71 WeakPolarHBondContact CB-OD1 3.45Å; S47-D71 PolarHBondContact OG-OD1 2.88Å; S47-D71 PolarHBondContact OG-OD2 3.05Å; V67-D71 WeakPolarHBondContact CA-OD2 3.5Å; V67-D71 HydrophobicContact CG1-CB 4.19Å; T68-D71 PolarHBondContact N-OD2 2.82Å; T68-D71 WeakPolarHBondContact O-CB 3.22Å; T68-D71 PolarHBondContact O-N 2.89Å; T68-D71 PolarHBondContact OG1-OD2 2.78Å; T69-D71 PolarHBondContact O-N 2.85Å; D71-A73 PolarHBondContact O-N 2.89Å; D71-A73 VanDerWaalsContact O-N 3.08Å; D71-Y75 WeakPolarHBondContact O-CE2 3.27Å; D71-Y75 PolarHBondContact O-OH 3.22Å; D71-V98 HydrophobicContact CB-CG2 4.5Å
72	T	94.1	Very high	90.9	Very high	35 Å²	35	44.2 Å²	44.2	22%	0.215	24%	0.242	C	C	.	.			trans	-66.9	107.6	169.8	-64.1	0	0	0	0	110.1	P23 T69 E70 V96 T97 V98	P23-T72 WeakPolarHBondContact CD-O 3.13Å; T69-T72 VanDerWaalsContact O-CB 3.32Å; T69-T72 WeakPolarHBondContact O-CB 3.31Å; T69-T72 PolarHBondContact O-N 2.72Å; T69-T72 PolarHBondContact O-OG1 2.61Å; T69-T72 VanDerWaalsContact O-OG1 3.09Å; E70-T72 PolarHBondContact O-N 3.38Å; T72-V96 WeakPolarHBondContact CA-O 3.41Å; T72-T97 HydrophobicContact CG2-CG2 4.23Å; T72-V98 PolarHBondContact OG1-N 3.34Å; T72-V98 PolarHBondContact OG1-O 3.23Å
73	A	95.5	Very high	89.4	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	166.1	-174.6	0	0	0	0	0	111.7	R20 Q21 D71 Y75 V96	R20-A73 HydrophobicContact CB-CB 4.15Å; Q21-A73 WeakPolarHBondContact O-CA 3.31Å; Q21-A73 WeakPolarHBondContact O-CB 3.25Å; D71-A73 PolarHBondContact O-N 2.89Å; D71-A73 VanDerWaalsContact O-N 3.08Å; A73-Y75 HydrophobicContact CB-CD2 4.27Å; A73-Y75 HydrophobicContact CB-CE2 3.79Å; A73-Y75 WeakPolarHBondContact O-CD2 3.34Å; A73-V96 PolarHBondContact N-O 2.87Å; A73-V96 VanDerWaalsContact N-O 3.11Å; A73-V96 PolarHBondContact O-N 2.76Å
74	M	97.3	Very high	87.8	Confident	59 Å²	59	48.4 Å²	48.4	29%	0.291	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.2	160	-165.3	72.4	72.1	0	0	108.9	R20 Q21 Y76 T95	R20-M74 CarbonylContact C-O 3.45Å; R20-M74 VanDerWaalsContact CA-O 3.25Å; R20-M74 WeakPolarHBondContact CA-O 3.33Å; Q21-M74 HydrophobicContact CB-CB 4.48Å; Q21-M74 PolarHBondContact N-O 3.1Å; Q21-M74 PolarHBondContact O-N 3.08Å; M74-Y76 HydrophobicContact CB-CE2 3.83Å; M74-Y76 HydrophobicContact CG-CD1 4.49Å; M74-Y76 HydrophobicContact CG-CD2 4.43Å; M74-Y76 HydrophobicContact CG-CE1 3.73Å; M74-Y76 HydrophobicContact CG-CE2 3.68Å; M74-Y76 WeakPolarHBondContact CG-OH 3.44Å; M74-T95 WeakPolarHBondContact CE-OG1 3.29Å; M74-T95 PolarHBondContact SD-N 2.86Å; M74-T95 PolarHBondContact SD-OG1 2.97Å
75	Y	97.2	Very high	86.4	Confident	3 Å²	3	59 Å²	59	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127	179.5	-71.9	-101.4	0	0	0	110.1	L1 I19 R20 M30 L62 L64 D71 A73 G93 T94 V96	L1-Y75 HydrophobicContact CD1-CD1 3.57Å; L1-Y75 HydrophobicContact CD1-CD2 4.05Å; L1-Y75 HydrophobicContact CD1-CE1 4.25Å; L1-Y75 HydrophobicContact CD1-CG 3.43Å; L1-Y75 VanDerWaalsContact CD1-CG 3.43Å; I19-Y75 CarbonylContact O-C 3.46Å; I19-Y75 WeakPolarHBondContact O-CA 3.31Å; R20-Y75 HydrophobicContact CB-CD1 3.92Å; R20-Y75 HydrophobicContact CB-CE1 3.91Å; R20-Y75 HydrophobicContact CB-CG 4.36Å; M30-Y75 HydrophobicContact CE-CE1 3.91Å; M30-Y75 HydrophobicContact SD-CD1 3.84Å; M30-Y75 HydrophobicContact SD-CE1 3.61Å; L62-Y75 HydrophobicContact CD2-CD1 3.79Å; L62-Y75 HydrophobicContact CD2-CE1 4.05Å; L64-Y75 HydrophobicContact CD1-CE1 4.27Å; L64-Y75 HydrophobicContact CD2-CE1 4.14Å; D71-Y75 WeakPolarHBondContact O-CE2 3.27Å; D71-Y75 PolarHBondContact O-OH 3.22Å; A73-Y75 HydrophobicContact CB-CD2 4.27Å; A73-Y75 HydrophobicContact CB-CE2 3.79Å; A73-Y75 WeakPolarHBondContact O-CD2 3.34Å; Y75-G93 CarbonylContact O-C 3.55Å; Y75-G93 WeakPolarHBondContact O-CA 3.5Å; Y75-T94 PolarHBondContact N-O 3.24Å; Y75-T94 PolarHBondContact O-N 3.18Å; Y75-V96 HydrophobicContact CD2-CB 3.87Å; Y75-V96 HydrophobicContact CD2-CG2 3.6Å; Y75-V96 HydrophobicContact CE2-CB 3.69Å; Y75-V96 HydrophobicContact CE2-CG1 4.47Å; Y75-V96 HydrophobicContact CE2-CG2 3.85Å; Y75-V96 HydrophobicContact CG-CG2 4.45Å
76	Y	96.9	Very high	85.3	Confident	43 Å²	43	61.4 Å²	61.4	17%	0.169	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	142.7	-179.8	-52.3	-88.3	0	0	0	109.7	W18 I19 Q21 L27 M74 W90 G93	W18-Y76 VanDerWaalsContact CE3-O 3.27Å; I19-Y76 PolarHBondContact N-O 3.16Å; I19-Y76 PolarHBondContact O-N 3.12Å; Q21-Y76 HydrophobicContact CB-CE2 3.89Å; Q21-Y76 PolarHBondContact OE1-OH 3.37Å; L27-Y76 HydrophobicContact CD2-CD2 4.28Å; L27-Y76 HydrophobicContact CD2-CE2 4Å; M74-Y76 HydrophobicContact CB-CE2 3.83Å; M74-Y76 HydrophobicContact CG-CD1 4.49Å; M74-Y76 HydrophobicContact CG-CD2 4.43Å; M74-Y76 HydrophobicContact CG-CE1 3.73Å; M74-Y76 HydrophobicContact CG-CE2 3.68Å; M74-Y76 WeakPolarHBondContact CG-OH 3.44Å; Y76-W90 HydrophobicContact CG-CE3 4.5Å; Y76-W90 HydrophobicContact CG-CZ3 4.32Å; Y76-G93 VanDerWaalsContact CD1-CA 3.43Å
77	C	95.6	Very high	84.7	Confident	16 Å²	16	62 Å²	62	11%	0.108	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	144.5	160.7	54.2	0	0	0	0	109.6	C3 I17 W18 F60 G91	C3-C77 HydrophobicContact CB-CB 3.39Å; C3-C77 WeakPolarHBondContact CB-SG 3.35Å; C3-C77 WeakPolarHBondContact SG-CB 3.31Å; C3-C77 CovalentContact SG-SG 2.04Å; C3-C77 PolarHBondContact SG-SG 3.1Å; I17-C77 CarbonylContact O-C 3.56Å; I17-C77 WeakPolarHBondContact O-CA 3.38Å; W18-C77 HydrophobicContact CE3-CB 4.35Å; W18-C77 HydrophobicContact CH2-CB 4.2Å; W18-C77 HydrophobicContact CZ2-CB 4.45Å; W18-C77 HydrophobicContact CZ3-CB 4.14Å; F60-C77 HydrophobicContact CE1-CB 4.12Å; F60-C77 HydrophobicContact CE2-CB 4.31Å; F60-C77 HydrophobicContact CZ-CB 3.52Å; C77-G91 PolarHBondContact O-N 2.72Å
78	A	94.4	Very high	84.2	Confident	3 Å²	3	61.5 Å²	61.5	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	159	176	0	0	0	0	0	111.1	I17 I19 F87 V89 W90	I17-A78 HydrophobicContact CB-CB 4.49Å; I17-A78 PolarHBondContact N-O 3.11Å; I17-A78 PolarHBondContact O-N 2.92Å; I19-A78 HydrophobicContact CD1-CB 4.17Å; A78-F87 HydrophobicContact CB-CB 4.5Å; A78-F87 HydrophobicContact CB-CD1 3.64Å; A78-F87 HydrophobicContact CB-CE1 4.11Å; A78-F87 HydrophobicContact CB-CG 4.28Å; A78-V89 CarbonylContact C-O 3.43Å; A78-V89 WeakPolarHBondContact CA-O 3.44Å; A78-V89 WeakPolarHBondContact CB-O 3.45Å; A78-W90 HydrophobicContact CB-CD2 4.14Å; A78-W90 HydrophobicContact CB-CE3 4.36Å
79	G	91.5	Very high	84	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	135.3	173.4	0	0	0	0	0	110.6	Y15 F87 D88 V89	Y15-G79 WeakPolarHBondContact O-CA 3.45Å; G79-F87 CarbonylContact O-C 3.42Å; G79-F87 WeakPolarHBondContact O-CA 3.37Å; G79-D88 PolarHBondContact O-N 3.2Å; G79-V89 PolarHBondContact N-O 2.96Å; G79-V89 PolarHBondContact O-N 3.05Å
80	D	87.8	Confident	84.1	Confident	31 Å²	31	62.7 Å²	62.7	17%	0.166	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.3	176.4	-177.9	16	0	0	0	109.2	Y14 Y15 I17 F87	Y14-D80 CarbonylContact C-O 3.44Å; Y14-D80 WeakPolarHBondContact CA-O 3.45Å; Y14-D80 WeakPolarHBondContact CD1-O 3.38Å; Y15-D80 PolarHBondContact N-O 2.67Å; Y15-D80 PolarHBondContact O-N 2.83Å; I17-D80 HydrophobicContact CD1-CB 3.52Å; D80-F87 HydrophobicContact CB-CD1 4.28Å
81	S	82.9	Confident	84.3	Confident	14 Å²	14	58 Å²	58	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	136.8	-177.4	55.2	0	0	0	0	111.6	G83 Y84 D88	S81-G83 PolarHBondContact O-N 2.82Å; S81-Y84 PolarHBondContact O-N 3.17Å; S81-Y84 WeakPolarHBondContact OG-CD2 3.37Å; S81-D88 WeakPolarHBondContact CB-OD2 3.42Å; S81-D88 PolarHBondContact N-OD2 3.04Å; S81-D88 PolarHBondContact OG-OD2 3Å
82	D	69.1	Low	84.4	Confident	85 Å²	85	65 Å²	65	46%	0.455	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	104.5	-179.6	-165	1.5	0	0	0	109.8	G13 Y15 H35	G13-D82 WeakPolarHBondContact O-CB 3.16Å; G13-D82 PolarHBondContact O-N 3.21Å; Y15-D82 HydrophobicContact CE2-CB 4.21Å; Y15-D82 PolarHBondContact OH-OD1 2.7Å; H35-D82 IonicContact CE1-OD2 3.24Å
83	G	65.1	Low	84.4	Confident	64 Å²	64	64.1 Å²	64.1	66%	0.66	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.7	-6.6	-176.7	0	0	0	0	0	115.7	S81	S81-G83 PolarHBondContact O-N 2.82Å
84	Y	61.9	Low	84.5	Confident	137 Å²	137	67.6 Å²	67.6	54%	0.537	35%	0.346	S	S	.	.			trans	-116.9	156.4	173.6	-65.9	-85.5	0	0	0	110.9	S81 Y86	S81-Y84 PolarHBondContact O-N 3.17Å; S81-Y84 WeakPolarHBondContact OG-CD2 3.37Å; Y84-Y86 AromaticContact CD1-CE1 3.74Å; Y84-Y86 HydrophobicContact CD1-CE1 3.74Å; Y84-Y86 HydrophobicContact CG-CE1 4.16Å
85	W	62.5	Low	84.4	Confident	254 Å²	254	69 Å²	69	96%	0.962	36%	0.358	S	S	*	.	S	Bend	trans	-103.9	22.5	-175.2	-62.8	98.9	0	0	0	112.5
86	Y	65	Low	84.3	Confident	129 Å²	129	70.4 Å²	70.4	51%	0.506	37%	0.367	S	S	.	.	S	Bend	trans	-143.9	142.7	-175.2	59.7	-90.9	0	0	0	111.9	Y84 D88	Y84-Y86 AromaticContact CD1-CE1 3.74Å; Y84-Y86 HydrophobicContact CD1-CE1 3.74Å; Y84-Y86 HydrophobicContact CG-CE1 4.16Å; Y86-D88 WeakPolarHBondContact CD2-OD1 3.28Å; Y86-D88 WeakPolarHBondContact CE2-OD1 3.32Å; Y86-D88 PolarHBondContact O-N 3.25Å; Y86-D88 VanDerWaalsContact O-N 3.08Å
87	F	75.3	Confident	84.2	Confident	82 Å²	82	73.5 Å²	73.5	36%	0.36	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	107	175.8	-61.2	-79	0	0	0	110.8	I17 I19 A78 G79 D80 W90	I17-F87 HydrophobicContact CB-CE1 4.07Å; I17-F87 HydrophobicContact CD1-CD1 3.77Å; I17-F87 HydrophobicContact CD1-CE1 3.34Å; I17-F87 HydrophobicContact CD1-CZ 4.46Å; I17-F87 HydrophobicContact CG1-CE1 4.13Å; I17-F87 HydrophobicContact CG2-CE1 3.97Å; I19-F87 HydrophobicContact CD1-CE1 4.04Å; I19-F87 HydrophobicContact CD1-CE2 4.35Å; I19-F87 HydrophobicContact CD1-CZ 3.87Å; A78-F87 HydrophobicContact CB-CB 4.5Å; A78-F87 HydrophobicContact CB-CD1 3.64Å; A78-F87 HydrophobicContact CB-CE1 4.11Å; A78-F87 HydrophobicContact CB-CG 4.28Å; G79-F87 CarbonylContact O-C 3.42Å; G79-F87 WeakPolarHBondContact O-CA 3.37Å; D80-F87 HydrophobicContact CB-CD1 4.28Å; F87-W90 HydrophobicContact CB-CZ2 4.08Å; F87-W90 AromaticContact CD2-CZ2 3.67Å; F87-W90 HydrophobicContact CD2-CZ2 3.67Å; F87-W90 HydrophobicContact CE2-CZ2 4.22Å; F87-W90 AromaticContact CG-CZ2 3.9Å; F87-W90 HydrophobicContact CG-CZ2 3.9Å; F87-W90 AromaticContact CG-NE1 3.95Å
88	D	78.1	Confident	83.9	Confident	62 Å²	62	74.2 Å²	74.2	33%	0.332	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-28.1	179.1	-66.9	-53.2	0	0	0	113.1	Y14 G79 S81 Y86	Y14-D88 HydrophobicContact CE1-CB 4.42Å; G79-D88 PolarHBondContact O-N 3.2Å; S81-D88 WeakPolarHBondContact CB-OD2 3.42Å; S81-D88 PolarHBondContact N-OD2 3.04Å; S81-D88 PolarHBondContact OG-OD2 3Å; Y86-D88 WeakPolarHBondContact CD2-OD1 3.28Å; Y86-D88 WeakPolarHBondContact CE2-OD1 3.32Å; Y86-D88 PolarHBondContact O-N 3.25Å; Y86-D88 VanDerWaalsContact O-N 3.08Å
89	V	84.9	Confident	83.7	Confident	57 Å²	57	79.1 Å²	79.1	35%	0.345	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.2	-170.7	-175.1	0	0	0	0	109.9	F8 A78 G79	F8-V89 HydrophobicContact CZ-CG2 4.24Å; A78-V89 CarbonylContact C-O 3.43Å; A78-V89 WeakPolarHBondContact CA-O 3.44Å; A78-V89 WeakPolarHBondContact CB-O 3.45Å; G79-V89 PolarHBondContact N-O 2.96Å; G79-V89 PolarHBondContact O-N 3.05Å
90	W	92.3	Very high	83.1	Confident	114 Å²	114	87.5 Å²	87.5	43%	0.432	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.2	174.5	-75.9	78.1	0	0	0	111.1	I19 L27 Y76 A78 F87	I19-W90 HydrophobicContact CD1-CH2 3.31Å; I19-W90 HydrophobicContact CD1-CZ2 4.02Å; I19-W90 HydrophobicContact CD1-CZ3 3.76Å; L27-W90 HydrophobicContact CD1-CH2 3.9Å; L27-W90 HydrophobicContact CD1-CZ3 4.4Å; Y76-W90 HydrophobicContact CG-CE3 4.5Å; Y76-W90 HydrophobicContact CG-CZ3 4.32Å; A78-W90 HydrophobicContact CB-CD2 4.14Å; A78-W90 HydrophobicContact CB-CE3 4.36Å; F87-W90 HydrophobicContact CB-CZ2 4.08Å; F87-W90 AromaticContact CD2-CZ2 3.67Å; F87-W90 HydrophobicContact CD2-CZ2 3.67Å; F87-W90 HydrophobicContact CE2-CZ2 4.22Å; F87-W90 AromaticContact CG-CZ2 3.9Å; F87-W90 HydrophobicContact CG-CZ2 3.9Å; F87-W90 AromaticContact CG-NE1 3.95Å
91	G	92.9	Very high	82.9	Confident	26 Å²	26	90.3 Å²	90.3	27%	0.268	50%	0.503	S	S	.	.			trans	-76.1	155.8	164.3	0	0	0	0	0	111.2	C77 G93	C77-G91 PolarHBondContact O-N 2.72Å; G91-G93 PolarHBondContact O-N 3.44Å; G91-G93 VanDerWaalsContact O-N 3.09Å
92	T	92.7	Very high	82.9	Confident	147 Å²	147	94.3 Å²	94.3	90%	0.902	52%	0.524	S	S	*	.			trans	-64.3	-14	179.9	55.1	0	0	0	0	114.2
93	G	94.1	Very high	83.7	Confident	17 Å²	17	94.8 Å²	94.8	18%	0.175	53%	0.528	C	S	.	.			trans	88.7	159.3	-175.9	0	0	0	0	0	113.6	Y75 Y76 G91	Y75-G93 CarbonylContact O-C 3.55Å; Y75-G93 WeakPolarHBondContact O-CA 3.5Å; Y76-G93 VanDerWaalsContact CD1-CA 3.43Å; G91-G93 PolarHBondContact O-N 3.44Å; G91-G93 VanDerWaalsContact O-N 3.09Å
94	T	96.5	Very high	84.8	Confident	77 Å²	77	96.6 Å²	96.6	47%	0.472	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	128.6	172.8	-78.3	0	0	0	0	109.4	L1 Y75 V96	L1-T94 HydrophobicContact CD2-CG2 3.96Å; Y75-T94 PolarHBondContact N-O 3.24Å; Y75-T94 PolarHBondContact O-N 3.18Å; T94-V96 HydrophobicContact CG2-CG2 4.34Å
95	T	96.4	Very high	86.2	Confident	88 Å²	88	94.1 Å²	94.1	54%	0.54	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	126.5	174.2	-50.7	0	0	0	0	109.3	M74	M74-T95 WeakPolarHBondContact CE-OG1 3.29Å; M74-T95 PolarHBondContact SD-N 2.86Å; M74-T95 PolarHBondContact SD-OG1 2.97Å
96	V	94.3	Very high	87.8	Confident	32 Å²	32	83.5 Å²	83.5	19%	0.194	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128	168	-179.6	0	0	0	0	107.3	L1 T72 A73 Y75 T94 V98	L1-V96 HydrophobicContact CD1-CG2 4.15Å; L1-V96 HydrophobicContact CD2-CG2 3.87Å; L1-V96 HydrophobicContact CG-CG2 4.49Å; T72-V96 WeakPolarHBondContact CA-O 3.41Å; A73-V96 PolarHBondContact N-O 2.87Å; A73-V96 VanDerWaalsContact N-O 3.11Å; A73-V96 PolarHBondContact O-N 2.76Å; Y75-V96 HydrophobicContact CD2-CB 3.87Å; Y75-V96 HydrophobicContact CD2-CG2 3.6Å; Y75-V96 HydrophobicContact CE2-CB 3.69Å; Y75-V96 HydrophobicContact CE2-CG1 4.47Å; Y75-V96 HydrophobicContact CE2-CG2 3.85Å; Y75-V96 HydrophobicContact CG-CG2 4.45Å; T94-V96 HydrophobicContact CG2-CG2 4.34Å; V96-V98 HydrophobicContact CG1-CG2 4.25Å
97	T	94.2	Very high	89.4	Confident	109 Å²	109	80.2 Å²	80.2	67%	0.669	49%	0.489	S	S	*	.			trans	-120.2	129.8	177.4	-53.2	0	0	0	0	109.1	T72	T72-T97 HydrophobicContact CG2-CG2 4.23Å
98	V	90.8	Very high	90.5	Very high	31 Å²	31	80.1 Å²	80.1	19%	0.188	50%	0.499	C	S	.	.			trans	-122.8	121.4	-178.7	-172.5	0	0	0	0	107.4	V67 T68 D71 T72 V96	V67-V98 HydrophobicContact CG1-CB 4.18Å; V67-V98 HydrophobicContact CG1-CG1 3.85Å; V67-V98 HydrophobicContact CG1-CG2 3.28Å; T68-V98 WeakPolarHBondContact O-CB 3.07Å; T68-V98 WeakPolarHBondContact O-CG1 3.38Å; D71-V98 HydrophobicContact CB-CG2 4.5Å; T72-V98 PolarHBondContact OG1-N 3.34Å; T72-V98 PolarHBondContact OG1-O 3.23Å; V96-V98 HydrophobicContact CG1-CG2 4.25Å
99	S	88.9	Confident	91.5	Very high	105 Å²	105	81.6 Å²	81.6	73%	0.734	51%	0.513	S	S	*	.			trans	-118	149.5	176.9	56.7	0	0	0	0	110.3
100	S	79.8	Confident	92.1	Very high	176 Å²	176	83.8 Å²	83.8	100%	1.231	53%	0.528	S	S	*	.			trans	-76.6	0	172.9	60.5	0	0	0	0	112.9

Retrieved 100 of 100 residues in 25.8 ms (Link to these results)

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