A0A077ZJ54_TRITR Loading...

adenine phosphoribosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZJ54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 89 aa.

						>A0A077ZJ54_TRITR|A0A077ZJ54
MNLKDYIASIPDYPKEGIVFRDISPLMADGEAYREATKQIVNYAKEKQIDMVVGPEARGFIVGCPVAFELGLGFAPVRKPGKLPREVIE
					

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(Predicted Aligned Error values between residue pairs)

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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	M	89.9	Confident	97.1	Very high	118 Å²	118	79.9 Å²	79.9	58%	0.581	42%	0.423	S	S	*	.				0	136.6	0	-177.9	-174.8	-64.3	0	0	108.8	L3 Y6 E31 A32	M1-L3 HydrophobicContact SD-CD2 4.09Å; M1-Y6 HydrophobicContact CG-CE2 3.83Å; M1-Y6 HydrophobicContact SD-CE2 3.91Å; M1-E31 HydrophobicContact CE-CB 3.71Å; M1-A32 WeakPolarHBondContact SD-CA 3.37Å; M1-A32 HydrophobicContact SD-CB 3.66Å
2	N	97	Very high	97.1	Very high	80 Å²	80	81.3 Å²	81.3	43%	0.428	43%	0.43	S	S	.	.			trans	-97.5	102.5	174.8	174.5	20.9	0	0	0	109.7	K4 D5	N2-K4 PolarHBondContact O-N 3.41Å; N2-K4 VanDerWaalsContact O-N 3.11Å; N2-K4 WeakPolarHBondContact OD1-CB 3.24Å; N2-K4 PolarHBondContact OD1-N 3.38Å; N2-D5 WeakPolarHBondContact CB-OD2 3.38Å; N2-D5 VanDerWaalsContact ND2-CG 3.3Å; N2-D5 PolarHBondContact ND2-OD1 2.93Å; N2-D5 PolarHBondContact ND2-OD2 3.01Å; N2-D5 VanDerWaalsContact ND2-OD2 3.08Å; N2-D5 PolarHBondContact O-N 2.95Å; N2-D5 VanDerWaalsContact O-N 3.14Å
3	L	97.5	Very high	97.1	Very high	30 Å²	30	84.8 Å²	84.8	16%	0.157	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-61.5	-21.8	-175.9	-64.9	174.6	0	0	0	113.6	M1 D5 Y6 L26 A32 E35 A36	M1-L3 HydrophobicContact SD-CD2 4.09Å; L3-D5 PolarHBondContact O-N 3.08Å; L3-Y6 PolarHBondContact O-N 3.16Å; L3-Y6 VanDerWaalsContact O-N 3.17Å; L3-L26 HydrophobicContact CB-CD1 4.41Å; L3-L26 HydrophobicContact CD2-CD1 4.39Å; L3-A32 HydrophobicContact CD2-CB 4.17Å; L3-A32 WeakPolarHBondContact CD2-O 3.46Å; L3-E35 HydrophobicContact CD2-CB 4.27Å; L3-E35 HydrophobicContact CD2-CG 4.24Å; L3-A36 HydrophobicContact CD1-CB 3.82Å; L3-A36 HydrophobicContact CD2-CB 4.24Å
4	K	97.3	Very high	97	Very high	171 Å²	171	84.9 Å²	84.9	74%	0.743	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-63.2	-28.7	177.8	-66.2	-178.5	178	177.6	0	112.6	N2 Y6 I7	N2-K4 PolarHBondContact O-N 3.41Å; N2-K4 VanDerWaalsContact O-N 3.11Å; N2-K4 WeakPolarHBondContact OD1-CB 3.24Å; N2-K4 PolarHBondContact OD1-N 3.38Å; K4-Y6 PolarHBondContact O-N 3.45Å; K4-I7 PolarHBondContact O-N 3.17Å
5	D	97.9	Very high	97	Very high	122 Å²	122	89.3 Å²	89.3	65%	0.652	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-70.4	-13.8	-179.1	-57.1	-22.8	0	0	0	111.9	N2 L3	N2-D5 WeakPolarHBondContact CB-OD2 3.38Å; N2-D5 VanDerWaalsContact ND2-CG 3.3Å; N2-D5 PolarHBondContact ND2-OD1 2.93Å; N2-D5 PolarHBondContact ND2-OD2 3.01Å; N2-D5 VanDerWaalsContact ND2-OD2 3.08Å; N2-D5 PolarHBondContact O-N 2.95Å; N2-D5 VanDerWaalsContact O-N 3.14Å; L3-D5 PolarHBondContact O-N 3.08Å
6	Y	98.2	Very high	97	Very high	62 Å²	62	95.1 Å²	95.1	24%	0.243	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-99.9	8.7	178	-63.8	-94.4	0	0	0	113.5	M1 L3 K4 P25 L26 D29 A32	M1-Y6 HydrophobicContact CG-CE2 3.83Å; M1-Y6 HydrophobicContact SD-CE2 3.91Å; L3-Y6 PolarHBondContact O-N 3.16Å; L3-Y6 VanDerWaalsContact O-N 3.17Å; K4-Y6 PolarHBondContact O-N 3.45Å; Y6-P25 WeakPolarHBondContact O-CB 3.5Å; Y6-L26 PolarHBondContact O-N 2.91Å; Y6-D29 HydrophobicContact CD1-CB 3.79Å; Y6-D29 HydrophobicContact CE1-CB 3.59Å; Y6-D29 VanDerWaalsContact CE1-CG 3.45Å; Y6-D29 VanDerWaalsContact CE1-OD2 3.28Å; Y6-D29 WeakPolarHBondContact CE1-OD2 3.24Å; Y6-A32 HydrophobicContact CD1-CB 3.75Å; Y6-A32 HydrophobicContact CD2-CB 3.96Å; Y6-A32 HydrophobicContact CE1-CB 3.87Å; Y6-A32 HydrophobicContact CE2-CB 4.06Å; Y6-A32 HydrophobicContact CG-CB 3.79Å
7	I	98.1	Very high	97.1	Very high	48 Å²	48	93.6 Å²	93.6	25%	0.246	50%	0.497	C	S	.	.			trans	-106.9	110.8	178.3	-53.3	-55.3	0	0	0	109.5	K4 R21 I23 L26	K4-I7 PolarHBondContact O-N 3.17Å; I7-R21 HydrophobicContact CG2-CB 3.87Å; I7-I23 HydrophobicContact CD1-CB 4.29Å; I7-I23 HydrophobicContact CD1-CG2 4.04Å; I7-L26 HydrophobicContact CD1-CB 4.01Å; I7-L26 HydrophobicContact CD1-CD1 3.74Å
8	A	98	Very high	97.1	Very high	31 Å²	31	92.6 Å²	92.6	26%	0.256	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.9	174.7	0	0	0	0	0	110.6	I10 D22 P25	A8-I10 HydrophobicContact CB-CD1 4.34Å; A8-D22 HydrophobicContact CB-CB 4.19Å; A8-D22 PolarHBondContact N-O 2.94Å; A8-D22 PolarHBondContact O-N 3.09Å; A8-P25 HydrophobicContact CB-CG 3.85Å
9	S	98.1	Very high	97.1	Very high	59 Å²	59	91.6 Å²	91.6	41%	0.413	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	111.1	179.6	-57.1	0	0	0	0	108.8	P11 R21	S9-P11 WeakPolarHBondContact O-CD 3.26Å; S9-R21 PolarHBondContact OG-NH1 2.96Å
10	I	97.7	Very high	97.2	Very high	72 Å²	72	89.5 Å²	89.5	37%	0.369	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	105.6	-176.5	-47	-57.8	0	0	0	108.1	A8 Y13 V19 F20 D22	A8-I10 HydrophobicContact CB-CD1 4.34Å; I10-Y13 HydrophobicContact CG2-CG 4.41Å; I10-V19 CarbonylContact O-C 3.56Å; I10-V19 WeakPolarHBondContact O-CA 3.48Å; I10-F20 HydrophobicContact CB-CB 4.3Å; I10-F20 PolarHBondContact N-O 3.3Å; I10-F20 PolarHBondContact O-N 3.47Å; I10-D22 HydrophobicContact CG1-CB 4.42Å
11	P	98	Very high	97.2	Very high	86 Å²	86	92.5 Å²	92.5	56%	0.558	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	151.5	176.8	29.1	-33.6	0	0	0	111.2	S9 Y13 I18	S9-P11 WeakPolarHBondContact O-CD 3.26Å; P11-Y13 VanDerWaalsContact C-N 3.26Å; P11-Y13 PolarHBondContact O-N 3.36Å; P11-I18 CarbonylContact C-O 3.59Å
12	D	97.5	Very high	97.6	Very high	96 Å²	96	89.1 Å²	89.1	51%	0.513	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	35.3	174.9	-56.1	-52.7	0	0	0	115.1	K15 E16 G17 I18	D12-K15 CarbonylContact C-O 3.25Å; D12-K15 VanDerWaalsContact C-O 3.25Å; D12-K15 WeakPolarHBondContact CA-O 3.33Å; D12-K15 CarbonylContact O-C 3.59Å; D12-E16 WeakPolarHBondContact OD1-CA 3.39Å; D12-G17 PolarHBondContact OD1-N 2.57Å; D12-I18 WeakPolarHBondContact CA-O 3.39Å; D12-I18 PolarHBondContact N-O 3.32Å
13	Y	97.6	Very high	97.6	Very high	128 Å²	128	87.9 Å²	87.9	50%	0.502	46%	0.457	S	S	.	.			trans	-127	135	178.2	-174.4	-92.8	0	0	0	112.3	I10 P11 K15 I18 F20	I10-Y13 HydrophobicContact CG2-CG 4.41Å; P11-Y13 VanDerWaalsContact C-N 3.26Å; P11-Y13 PolarHBondContact O-N 3.36Å; Y13-K15 VanDerWaalsContact C-N 3.25Å; Y13-I18 PolarHBondContact N-O 3.38Å; Y13-I18 WeakPolarHBondContact O-CB 3.46Å; Y13-I18 WeakPolarHBondContact O-CG2 3.38Å; Y13-F20 HydrophobicContact CD1-CB 3.78Å; Y13-F20 HydrophobicContact CD1-CD1 4.21Å; Y13-F20 AromaticContact CD1-CD2 3.89Å; Y13-F20 HydrophobicContact CD1-CD2 3.89Å; Y13-F20 HydrophobicContact CD1-CE2 4.46Å; Y13-F20 AromaticContact CD1-CG 3.73Å; Y13-F20 HydrophobicContact CD1-CG 3.73Å; Y13-F20 HydrophobicContact CE1-CD2 4.19Å; Y13-F20 HydrophobicContact CE1-CE2 4.3Å; Y13-F20 HydrophobicContact CE1-CG 4.28Å; Y13-F20 WeakPolarHBondContact O-CB 3.29Å
14	P	95.8	Very high	97.6	Very high	85 Å²	85	89.2 Å²	89.2	55%	0.552	47%	0.469	S	S	*	.	S	Bend	cis	-80.2	2.7	-5.6	34.9	-37	0	0	0	113.7
15	K	96.9	Very high	97.6	Very high	151 Å²	151	83.3 Å²	83.3	66%	0.657	45%	0.448	S	S	*	.	S	Bend	trans	-142.2	157	179	-58.6	-176.2	-176.2	-178	0	109.3	D12 Y13 I18	D12-K15 CarbonylContact C-O 3.25Å; D12-K15 VanDerWaalsContact C-O 3.25Å; D12-K15 WeakPolarHBondContact CA-O 3.33Å; D12-K15 CarbonylContact O-C 3.59Å; Y13-K15 VanDerWaalsContact C-N 3.25Å; K15-I18 HydrophobicContact CB-CD1 4.19Å; K15-I18 WeakPolarHBondContact O-CB 3.37Å; K15-I18 PolarHBondContact O-N 3.31Å
16	E	97.4	Very high	97.7	Very high	182 Å²	182	78.3 Å²	78.3	85%	0.85	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	138	175.2	-169.4	177.3	177.7	0	0	111.9	D12 I18	D12-E16 WeakPolarHBondContact OD1-CA 3.39Å; E16-I18 VanDerWaalsContact C-N 3.34Å
17	G	97.5	Very high	97.6	Very high	70 Å²	70	78.7 Å²	78.7	72%	0.722	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-2.9	-179.1	0	0	0	0	0	115.2	D12	D12-G17 PolarHBondContact OD1-N 2.57Å
18	I	97.5	Very high	97.6	Very high	75 Å²	75	80.6 Å²	80.6	39%	0.385	45%	0.449	S	S	.	.			trans	-103.2	126.2	177.1	-56.7	177.9	0	0	0	110.2	P11 D12 Y13 K15 E16	P11-I18 CarbonylContact C-O 3.59Å; D12-I18 WeakPolarHBondContact CA-O 3.39Å; D12-I18 PolarHBondContact N-O 3.32Å; Y13-I18 PolarHBondContact N-O 3.38Å; Y13-I18 WeakPolarHBondContact O-CB 3.46Å; Y13-I18 WeakPolarHBondContact O-CG2 3.38Å; K15-I18 HydrophobicContact CB-CD1 4.19Å; K15-I18 WeakPolarHBondContact O-CB 3.37Å; K15-I18 PolarHBondContact O-N 3.31Å; E16-I18 VanDerWaalsContact C-N 3.34Å
19	V	97.7	Very high	97.6	Very high	75 Å²	75	81.5 Å²	81.5	46%	0.455	45%	0.45	S	S	.	.			trans	-95.3	102.5	165	-175.3	0	0	0	0	109	I10	I10-V19 CarbonylContact O-C 3.56Å; I10-V19 WeakPolarHBondContact O-CA 3.48Å
20	F	98.1	Very high	97.6	Very high	49 Å²	49	81.2 Å²	81.2	22%	0.215	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132.3	176.8	-171.2	-92.6	0	0	0	110.8	I10 Y13 D22 R58	I10-F20 HydrophobicContact CB-CB 4.3Å; I10-F20 PolarHBondContact N-O 3.3Å; I10-F20 PolarHBondContact O-N 3.47Å; Y13-F20 HydrophobicContact CD1-CB 3.78Å; Y13-F20 HydrophobicContact CD1-CD1 4.21Å; Y13-F20 AromaticContact CD1-CD2 3.89Å; Y13-F20 HydrophobicContact CD1-CD2 3.89Å; Y13-F20 HydrophobicContact CD1-CE2 4.46Å; Y13-F20 AromaticContact CD1-CG 3.73Å; Y13-F20 HydrophobicContact CD1-CG 3.73Å; Y13-F20 HydrophobicContact CE1-CD2 4.19Å; Y13-F20 HydrophobicContact CE1-CE2 4.3Å; Y13-F20 HydrophobicContact CE1-CG 4.28Å; Y13-F20 WeakPolarHBondContact O-CB 3.29Å; F20-D22 HydrophobicContact CD1-CB 4.03Å; F20-D22 HydrophobicContact CE1-CB 3.99Å; F20-R58 VanDerWaalsContact CE2-NH1 3.31Å
21	R	97.7	Very high	97.7	Very high	152 Å²	152	84.6 Å²	84.6	57%	0.574	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	103.5	174.6	-57.2	-57.1	178.1	166.3	1.7	108.7	I7 S9	I7-R21 HydrophobicContact CG2-CB 3.87Å; S9-R21 PolarHBondContact OG-NH1 2.96Å
22	D	97.7	Very high	97.7	Very high	47 Å²	47	80.5 Å²	80.5	25%	0.251	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.9	177.1	-178	21.1	0	0	0	110.3	A8 I10 F20 S24 P25	A8-D22 HydrophobicContact CB-CB 4.19Å; A8-D22 PolarHBondContact N-O 2.94Å; A8-D22 PolarHBondContact O-N 3.09Å; I10-D22 HydrophobicContact CG1-CB 4.42Å; F20-D22 HydrophobicContact CD1-CB 4.03Å; F20-D22 HydrophobicContact CE1-CB 3.99Å; D22-S24 VanDerWaalsContact C-N 3.31Å; D22-S24 VanDerWaalsContact CG-OG 3.27Å; D22-S24 VanDerWaalsContact OD1-CB 3.29Å; D22-S24 WeakPolarHBondContact OD1-CB 3.25Å; D22-S24 PolarHBondContact OD1-N 3.34Å; D22-S24 PolarHBondContact OD1-OG 2.85Å; D22-S24 WeakPolarHBondContact OD2-CB 3.28Å; D22-S24 PolarHBondContact OD2-OG 3.01Å; D22-P25 WeakPolarHBondContact O-CD 3.28Å
23	I	97.5	Very high	97.7	Very high	55 Å²	55	78.7 Å²	78.7	28%	0.282	43%	0.43	S	S	.	.			trans	-88.7	-0.7	179	71.6	169.5	0	0	0	112	I7 P25 L26 M27	I7-I23 HydrophobicContact CD1-CB 4.29Å; I7-I23 HydrophobicContact CD1-CG2 4.04Å; I23-P25 VanDerWaalsContact C-N 3.32Å; I23-L26 WeakPolarHBondContact O-CB 3.37Å; I23-L26 PolarHBondContact O-N 2.83Å; I23-L26 VanDerWaalsContact O-N 3.11Å; I23-M27 HydrophobicContact CD1-SD 4.05Å; I23-M27 HydrophobicContact CG1-CG 4.44Å; I23-M27 HydrophobicContact CG1-SD 3.99Å; I23-M27 PolarHBondContact O-N 3.49Å
24	S	97.7	Very high	97.7	Very high	58 Å²	58	82 Å²	82	41%	0.406	44%	0.441	S	S	.	.	H	α-helix	trans	-55.7	-37	-178.4	76.9	0	0	0	0	114	D22 M27 A28	D22-S24 VanDerWaalsContact C-N 3.31Å; D22-S24 VanDerWaalsContact CG-OG 3.27Å; D22-S24 VanDerWaalsContact OD1-CB 3.29Å; D22-S24 WeakPolarHBondContact OD1-CB 3.25Å; D22-S24 PolarHBondContact OD1-N 3.34Å; D22-S24 PolarHBondContact OD1-OG 2.85Å; D22-S24 WeakPolarHBondContact OD2-CB 3.28Å; D22-S24 PolarHBondContact OD2-OG 3.01Å; S24-M27 PolarHBondContact O-N 3Å; S24-A28 WeakPolarHBondContact O-CB 3.34Å; S24-A28 PolarHBondContact O-N 2.84Å
25	P	98.2	Very high	97.9	Very high	47 Å²	47	81 Å²	81	31%	0.305	43%	0.429	S	S	.	.	H	α-helix	trans	-68.8	-37	176.4	-15.5	30.9	0	0	0	112.2	Y6 A8 D22 I23 M27 A28 D29	Y6-P25 WeakPolarHBondContact O-CB 3.5Å; A8-P25 HydrophobicContact CB-CG 3.85Å; D22-P25 WeakPolarHBondContact O-CD 3.28Å; I23-P25 VanDerWaalsContact C-N 3.32Å; P25-M27 VanDerWaalsContact C-N 3.29Å; P25-M27 PolarHBondContact O-N 3.27Å; P25-A28 PolarHBondContact O-N 2.9Å; P25-D29 PolarHBondContact O-N 3.32Å; P25-D29 VanDerWaalsContact O-N 3.13Å
26	L	98.2	Very high	97.9	Very high	17 Å²	17	74.6 Å²	74.6	9%	0.089	41%	0.405	C	S	.	.	H	α-helix	trans	-60.1	-40.3	172.5	-179.7	152.6	0	0	0	111.5	L3 Y6 I7 I23 A32 Y33 A36	L3-L26 HydrophobicContact CB-CD1 4.41Å; L3-L26 HydrophobicContact CD2-CD1 4.39Å; Y6-L26 PolarHBondContact O-N 2.91Å; I7-L26 HydrophobicContact CD1-CB 4.01Å; I7-L26 HydrophobicContact CD1-CD1 3.74Å; I23-L26 WeakPolarHBondContact O-CB 3.37Å; I23-L26 PolarHBondContact O-N 2.83Å; I23-L26 VanDerWaalsContact O-N 3.11Å; L26-A32 HydrophobicContact CG-CB 4.38Å; L26-Y33 HydrophobicContact CD2-CD2 3.95Å; L26-Y33 WeakPolarHBondContact O-CB 3.34Å; L26-Y33 PolarHBondContact O-N 3.35Å; L26-A36 HydrophobicContact CD1-CB 4.11Å; L26-A36 HydrophobicContact CD2-CB 4.06Å
27	M	97.3	Very high	98	Very high	69 Å²	69	66.7 Å²	66.7	34%	0.34	37%	0.369	S	S	.	.	H	α-helix	trans	-71.7	-30.9	176.7	-66.7	172.2	48.5	0	0	113.2	I23 S24 P25 D29 I61	I23-M27 HydrophobicContact CD1-SD 4.05Å; I23-M27 HydrophobicContact CG1-CG 4.44Å; I23-M27 HydrophobicContact CG1-SD 3.99Å; I23-M27 PolarHBondContact O-N 3.49Å; S24-M27 PolarHBondContact O-N 3Å; P25-M27 VanDerWaalsContact C-N 3.29Å; P25-M27 PolarHBondContact O-N 3.27Å; M27-D29 VanDerWaalsContact C-N 3.29Å; M27-I61 HydrophobicContact CE-CD1 4.21Å; M27-I61 HydrophobicContact CE-CG2 3.47Å; M27-I61 VanDerWaalsContact CE-CG2 3.47Å; M27-I61 HydrophobicContact CG-CG2 4.49Å; M27-I61 HydrophobicContact SD-CD1 4.46Å; M27-I61 HydrophobicContact SD-CG2 3.71Å
28	A	98	Very high	98	Very high	89 Å²	89	68.9 Å²	68.9	74%	0.736	36%	0.358	S	S	*	.	H	α-helix	trans	-72.4	-24.9	178.3	0	0	0	0	0	112.4	S24 P25	S24-A28 WeakPolarHBondContact O-CB 3.34Å; S24-A28 PolarHBondContact O-N 2.84Å; P25-A28 PolarHBondContact O-N 2.9Å
29	D	98.5	Very high	98	Very high	50 Å²	50	69.8 Å²	69.8	27%	0.267	36%	0.361	S	S	.	.	S	Bend	trans	-93.5	109.2	172.7	-172.4	-63.2	0	0	0	110.7	Y6 P25 M27 E31 A32 Y33	Y6-D29 HydrophobicContact CD1-CB 3.79Å; Y6-D29 HydrophobicContact CE1-CB 3.59Å; Y6-D29 VanDerWaalsContact CE1-CG 3.45Å; Y6-D29 VanDerWaalsContact CE1-OD2 3.28Å; Y6-D29 WeakPolarHBondContact CE1-OD2 3.24Å; P25-D29 PolarHBondContact O-N 3.32Å; P25-D29 VanDerWaalsContact O-N 3.13Å; M27-D29 VanDerWaalsContact C-N 3.29Å; D29-E31 VanDerWaalsContact C-N 3.27Å; D29-E31 PolarHBondContact O-N 3.38Å; D29-E31 PolarHBondContact OD1-N 3.17Å; D29-A32 HydrophobicContact CB-CB 3.9Å; D29-A32 PolarHBondContact O-N 3.13Å; D29-A32 PolarHBondContact OD1-N 3.39Å; D29-Y33 WeakPolarHBondContact O-CB 3.36Å; D29-Y33 PolarHBondContact O-N 3.45Å
30	G	97.9	Very high	98.1	Very high	53 Å²	53	69.6 Å²	69.6	55%	0.546	36%	0.357	S	S	.	.	H	α-helix	trans	-63.6	-28.3	-175.5	0	0	0	0	0	114.3	R34	G30-R34 VanDerWaalsContact O-CB 3.24Å; G30-R34 WeakPolarHBondContact O-CB 3.26Å; G30-R34 PolarHBondContact O-N 2.9Å; G30-R34 VanDerWaalsContact O-N 3.16Å
31	E	98.3	Very high	98.1	Very high	142 Å²	142	67.4 Å²	67.4	66%	0.664	35%	0.347	S	S	*	.	H	α-helix	trans	-77.2	-44.6	177.6	-63.2	-170.9	169.6	0	0	110.7	M1 D29 R34 E35	M1-E31 HydrophobicContact CE-CB 3.71Å; D29-E31 VanDerWaalsContact C-N 3.27Å; D29-E31 PolarHBondContact O-N 3.38Å; D29-E31 PolarHBondContact OD1-N 3.17Å; E31-R34 PolarHBondContact O-N 3.49Å; E31-E35 WeakPolarHBondContact O-CB 3.43Å; E31-E35 PolarHBondContact O-N 3.47Å
32	A	98.4	Very high	98.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-43.5	176.3	0	0	0	0	0	111.8	M1 L3 Y6 L26 D29 E35 A36	M1-A32 WeakPolarHBondContact SD-CA 3.37Å; M1-A32 HydrophobicContact SD-CB 3.66Å; L3-A32 HydrophobicContact CD2-CB 4.17Å; L3-A32 WeakPolarHBondContact CD2-O 3.46Å; Y6-A32 HydrophobicContact CD1-CB 3.75Å; Y6-A32 HydrophobicContact CD2-CB 3.96Å; Y6-A32 HydrophobicContact CE1-CB 3.87Å; Y6-A32 HydrophobicContact CE2-CB 4.06Å; Y6-A32 HydrophobicContact CG-CB 3.79Å; L26-A32 HydrophobicContact CG-CB 4.38Å; D29-A32 HydrophobicContact CB-CB 3.9Å; D29-A32 PolarHBondContact O-N 3.13Å; D29-A32 PolarHBondContact OD1-N 3.39Å; A32-E35 PolarHBondContact O-N 3.49Å; A32-A36 WeakPolarHBondContact O-CB 3.47Å; A32-A36 PolarHBondContact O-N 2.94Å
33	Y	98.4	Very high	98.2	Very high	59 Å²	59	67.8 Å²	67.8	23%	0.231	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-45.7	177.2	-173.2	-148.8	0	0	0	111.8	L26 D29 E35 A36 T37 I61 P65	L26-Y33 HydrophobicContact CD2-CD2 3.95Å; L26-Y33 WeakPolarHBondContact O-CB 3.34Å; L26-Y33 PolarHBondContact O-N 3.35Å; D29-Y33 WeakPolarHBondContact O-CB 3.36Å; D29-Y33 PolarHBondContact O-N 3.45Å; Y33-E35 PolarHBondContact O-N 2.89Å; Y33-A36 PolarHBondContact O-N 3.41Å; Y33-T37 PolarHBondContact O-N 2.9Å; Y33-T37 PolarHBondContact O-OG1 3.28Å; Y33-I61 PolarHBondContact OH-O 2.87Å; Y33-P65 WeakPolarHBondContact OH-CG 3.43Å
34	R	98.2	Very high	98.2	Very high	196 Å²	196	65.5 Å²	65.5	74%	0.74	34%	0.341	S	S	*	.	H	α-helix	trans	-60.4	-44.4	176.5	-177.7	-177.1	-65	-104.2	0.8	111.7	G30 E31 T37 K38	G30-R34 VanDerWaalsContact O-CB 3.24Å; G30-R34 WeakPolarHBondContact O-CB 3.26Å; G30-R34 PolarHBondContact O-N 2.9Å; G30-R34 VanDerWaalsContact O-N 3.16Å; E31-R34 PolarHBondContact O-N 3.49Å; R34-T37 PolarHBondContact O-N 3.02Å; R34-K38 VanDerWaalsContact O-CB 3.24Å; R34-K38 WeakPolarHBondContact O-CB 3.25Å; R34-K38 PolarHBondContact O-N 3.47Å
35	E	98.3	Very high	98.2	Very high	64 Å²	64	68.3 Å²	68.3	30%	0.299	35%	0.346	S	S	.	.	H	α-helix	trans	-64.8	-43.9	178.9	178.5	55	-154.7	0	0	111.5	L3 E31 A32 Y33 K38 Q39	L3-E35 HydrophobicContact CD2-CB 4.27Å; L3-E35 HydrophobicContact CD2-CG 4.24Å; E31-E35 WeakPolarHBondContact O-CB 3.43Å; E31-E35 PolarHBondContact O-N 3.47Å; A32-E35 PolarHBondContact O-N 3.49Å; Y33-E35 PolarHBondContact O-N 2.89Å; E35-K38 PolarHBondContact O-N 3.31Å; E35-Q39 WeakPolarHBondContact O-CG 3.32Å; E35-Q39 PolarHBondContact O-N 3.47Å; E35-Q39 PolarHBondContact OE1-NE2 3.48Å
36	A	98.2	Very high	98.2	Very high	17 Å²	17	73.2 Å²	73.2	14%	0.14	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-47.9	175.4	0	0	0	0	0	112.1	L3 L26 A32 Y33 K38 Q39 I40	L3-A36 HydrophobicContact CD1-CB 3.82Å; L3-A36 HydrophobicContact CD2-CB 4.24Å; L26-A36 HydrophobicContact CD1-CB 4.11Å; L26-A36 HydrophobicContact CD2-CB 4.06Å; A32-A36 WeakPolarHBondContact O-CB 3.47Å; A32-A36 PolarHBondContact O-N 2.94Å; Y33-A36 PolarHBondContact O-N 3.41Å; A36-K38 PolarHBondContact O-N 3.23Å; A36-Q39 PolarHBondContact O-N 3.2Å; A36-I40 WeakPolarHBondContact O-CG1 3.29Å; A36-I40 PolarHBondContact O-N 3.38Å
37	T	98.3	Very high	98.2	Very high	17 Å²	17	78.2 Å²	78.2	10%	0.104	39%	0.386	C	S	.	.	H	α-helix	trans	-60.8	-44.5	175.6	-64.1	0	0	0	0	111.3	Y33 R34 Q39 I40 V41 P65 V66	Y33-T37 PolarHBondContact O-N 2.9Å; Y33-T37 PolarHBondContact O-OG1 3.28Å; R34-T37 PolarHBondContact O-N 3.02Å; T37-Q39 VanDerWaalsContact C-N 3.32Å; T37-Q39 PolarHBondContact O-N 2.95Å; T37-I40 PolarHBondContact O-N 3.39Å; T37-I40 VanDerWaalsContact O-N 3.14Å; T37-V41 HydrophobicContact CG2-CG2 4.18Å; T37-V41 WeakPolarHBondContact O-CG2 3.5Å; T37-V41 PolarHBondContact O-N 3.25Å; T37-P65 HydrophobicContact CG2-CB 3.87Å; T37-V66 HydrophobicContact CG2-CG2 4.06Å
38	K	98.1	Very high	98.2	Very high	115 Å²	115	83.4 Å²	83.4	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-59.8	-40.6	179.6	-178	-178.9	177	-172.9	0	112.3	R34 E35 A36 I40 V41 N42	R34-K38 VanDerWaalsContact O-CB 3.24Å; R34-K38 WeakPolarHBondContact O-CB 3.25Å; R34-K38 PolarHBondContact O-N 3.47Å; E35-K38 PolarHBondContact O-N 3.31Å; A36-K38 PolarHBondContact O-N 3.23Å; K38-I40 VanDerWaalsContact C-N 3.33Å; K38-I40 PolarHBondContact O-N 3.42Å; K38-V41 PolarHBondContact O-N 3.02Å; K38-N42 VanDerWaalsContact O-CG 3.24Å; K38-N42 PolarHBondContact O-N 2.88Å; K38-N42 PolarHBondContact O-ND2 3.07Å
39	Q	98.2	Very high	98.2	Very high	95 Å²	95	82.1 Å²	82.1	44%	0.444	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-40.5	176.4	-71.1	-178.3	26.9	0	0	111.9	E35 A36 T37 N42 Y43	E35-Q39 WeakPolarHBondContact O-CG 3.32Å; E35-Q39 PolarHBondContact O-N 3.47Å; E35-Q39 PolarHBondContact OE1-NE2 3.48Å; A36-Q39 PolarHBondContact O-N 3.2Å; T37-Q39 VanDerWaalsContact C-N 3.32Å; T37-Q39 PolarHBondContact O-N 2.95Å; Q39-N42 PolarHBondContact O-N 2.86Å; Q39-Y43 PolarHBondContact O-N 3.42Å; Q39-Y43 VanDerWaalsContact O-N 3.13Å
40	I	98.3	Very high	98.2	Very high	70 Å²	70	86.3 Å²	86.3	36%	0.359	41%	0.412	S	S	.	.	H	α-helix	trans	-68	-41.7	175.9	-59.8	169.1	0	0	0	110.9	A36 T37 K38 N42 Y43 A44 V62 V66	A36-I40 WeakPolarHBondContact O-CG1 3.29Å; A36-I40 PolarHBondContact O-N 3.38Å; T37-I40 PolarHBondContact O-N 3.39Å; T37-I40 VanDerWaalsContact O-N 3.14Å; K38-I40 VanDerWaalsContact C-N 3.33Å; K38-I40 PolarHBondContact O-N 3.42Å; I40-N42 PolarHBondContact O-N 3.14Å; I40-Y43 PolarHBondContact O-N 3.18Å; I40-A44 VanDerWaalsContact O-CB 3.32Å; I40-A44 WeakPolarHBondContact O-CB 3.37Å; I40-A44 PolarHBondContact O-N 3.04Å; I40-V62 HydrophobicContact CD1-CG1 3.36Å; I40-V66 HydrophobicContact CB-CG2 3.96Å; I40-V66 HydrophobicContact CG2-CG1 4.1Å; I40-V66 HydrophobicContact CG2-CG2 3.65Å
41	V	98.6	Very high	98.2	Very high	3 Å²	3	88.5 Å²	88.5	2%	0.018	41%	0.409	C	S	.	.	H	α-helix	trans	-59.4	-45.2	175.8	166.4	0	0	0	0	111.1	T37 K38 A44 K45 V66 E69 L70	T37-V41 HydrophobicContact CG2-CG2 4.18Å; T37-V41 WeakPolarHBondContact O-CG2 3.5Å; T37-V41 PolarHBondContact O-N 3.25Å; K38-V41 PolarHBondContact O-N 3.02Å; V41-A44 PolarHBondContact O-N 3.31Å; V41-K45 HydrophobicContact CG1-CD 4.29Å; V41-K45 WeakPolarHBondContact O-CG 3.23Å; V41-K45 PolarHBondContact O-N 3.23Å; V41-V66 HydrophobicContact CG2-CB 4.27Å; V41-V66 HydrophobicContact CG2-CG1 4.06Å; V41-V66 HydrophobicContact CG2-CG2 4.2Å; V41-E69 HydrophobicContact CB-CG 4.39Å; V41-E69 HydrophobicContact CG1-CB 4.5Å; V41-E69 HydrophobicContact CG1-CG 3.79Å; V41-E69 HydrophobicContact CG2-CB 3.84Å; V41-E69 HydrophobicContact CG2-CG 3.82Å; V41-L70 HydrophobicContact CG1-CD2 3.85Å; V41-L70 HydrophobicContact CG1-CG 4.3Å
42	N	98.4	Very high	98.2	Very high	71 Å²	71	82.5 Å²	82.5	38%	0.38	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-47.3	178.5	-71.2	-16	0	0	0	111.3	K38 Q39 I40 A44 K45 E46	K38-N42 VanDerWaalsContact O-CG 3.24Å; K38-N42 PolarHBondContact O-N 2.88Å; K38-N42 PolarHBondContact O-ND2 3.07Å; Q39-N42 PolarHBondContact O-N 2.86Å; I40-N42 PolarHBondContact O-N 3.14Å; N42-A44 VanDerWaalsContact C-N 3.32Å; N42-A44 PolarHBondContact O-N 2.88Å; N42-K45 PolarHBondContact O-N 3.47Å; N42-E46 WeakPolarHBondContact O-CG 3.17Å; N42-E46 PolarHBondContact O-N 3.27Å
43	Y	98.4	Very high	98.2	Very high	137 Å²	137	86.6 Å²	86.6	54%	0.537	41%	0.407	S	S	.	.	H	α-helix	trans	-58.8	-44.1	175.2	176.1	-101.5	0	0	0	111.9	Q39 I40 K45 E46 K47	Q39-Y43 PolarHBondContact O-N 3.42Å; Q39-Y43 VanDerWaalsContact O-N 3.13Å; I40-Y43 PolarHBondContact O-N 3.18Å; Y43-K45 PolarHBondContact O-N 3.09Å; Y43-E46 WeakPolarHBondContact O-CB 2.99Å; Y43-E46 PolarHBondContact O-N 3.28Å; Y43-K47 HydrophobicContact CE1-CG 4.08Å; Y43-K47 VanDerWaalsContact CE2-CE 3.48Å; Y43-K47 HydrophobicContact CE2-CG 4.22Å; Y43-K47 WeakPolarHBondContact O-CG 3.41Å; Y43-K47 PolarHBondContact O-N 2.84Å; Y43-K47 VanDerWaalsContact O-N 3.09Å; Y43-K47 WeakPolarHBondContact OH-CE 3.07Å
44	A	98.2	Very high	98.1	Very high	7 Å²	7	84 Å²	84	6%	0.058	40%	0.397	C	S	.	.	H	α-helix	trans	-62.9	-39.8	177.4	0	0	0	0	0	112.7	I40 V41 N42 K47 Q48 I49 L70	I40-A44 VanDerWaalsContact O-CB 3.32Å; I40-A44 WeakPolarHBondContact O-CB 3.37Å; I40-A44 PolarHBondContact O-N 3.04Å; V41-A44 PolarHBondContact O-N 3.31Å; N42-A44 VanDerWaalsContact C-N 3.32Å; N42-A44 PolarHBondContact O-N 2.88Å; A44-K47 PolarHBondContact O-N 3.48Å; A44-Q48 PolarHBondContact O-N 3.24Å; A44-I49 HydrophobicContact CB-CD1 3.64Å; A44-I49 HydrophobicContact CB-CG1 4.06Å; A44-L70 HydrophobicContact CB-CD1 3.66Å
45	K	97.5	Very high	98.1	Very high	117 Å²	117	78.6 Å²	78.6	51%	0.509	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-44.7	173.7	-73.7	179.4	-178.5	175	0	111.4	V41 N42 Y43 K47 Q48 L70	V41-K45 HydrophobicContact CG1-CD 4.29Å; V41-K45 WeakPolarHBondContact O-CG 3.23Å; V41-K45 PolarHBondContact O-N 3.23Å; N42-K45 PolarHBondContact O-N 3.47Å; Y43-K45 PolarHBondContact O-N 3.09Å; K45-K47 PolarHBondContact O-N 3.4Å; K45-Q48 PolarHBondContact O-N 3.24Å; K45-Q48 VanDerWaalsContact O-N 3.07Å; K45-L70 HydrophobicContact CD-CD2 4.15Å; K45-L70 HydrophobicContact CG-CD2 3.39Å
46	E	98.3	Very high	97.9	Very high	149 Å²	149	77.8 Å²	77.8	70%	0.696	38%	0.384	S	S	*	.	H	α-helix	trans	-60.8	-32.5	176.6	-71.8	174.4	-169.8	0	0	112.5	N42 Y43 Q48	N42-E46 WeakPolarHBondContact O-CG 3.17Å; N42-E46 PolarHBondContact O-N 3.27Å; Y43-E46 WeakPolarHBondContact O-CB 2.99Å; Y43-E46 PolarHBondContact O-N 3.28Å; E46-Q48 VanDerWaalsContact C-N 3.33Å
47	K	98.2	Very high	97.7	Very high	123 Å²	123	80 Å²	80	54%	0.535	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.2	177.1	-63	-56.3	178.8	-171.3	0	114.4	Y43 A44 K45 I49	Y43-K47 HydrophobicContact CE1-CG 4.08Å; Y43-K47 VanDerWaalsContact CE2-CE 3.48Å; Y43-K47 HydrophobicContact CE2-CG 4.22Å; Y43-K47 WeakPolarHBondContact O-CG 3.41Å; Y43-K47 PolarHBondContact O-N 2.84Å; Y43-K47 VanDerWaalsContact O-N 3.09Å; Y43-K47 WeakPolarHBondContact OH-CE 3.07Å; A44-K47 PolarHBondContact O-N 3.48Å; K45-K47 PolarHBondContact O-N 3.4Å; K47-I49 HydrophobicContact CB-CG2 3.97Å; K47-I49 PolarHBondContact O-N 3.29Å
48	Q	97.5	Very high	97.6	Very high	178 Å²	178	86.9 Å²	86.9	83%	0.832	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	43.3	179.2	-54.5	-176.3	-70	0	0	112.8	A44 K45 E46	A44-Q48 PolarHBondContact O-N 3.24Å; K45-Q48 PolarHBondContact O-N 3.24Å; K45-Q48 VanDerWaalsContact O-N 3.07Å; E46-Q48 VanDerWaalsContact C-N 3.33Å
49	I	98.1	Very high	97.5	Very high	62 Å²	62	82.5 Å²	82.5	32%	0.318	41%	0.414	S	S	.	.			trans	-66.1	155.9	178.1	67.9	167.2	0	0	0	111.1	A44 K47 V52 L70 L72	A44-I49 HydrophobicContact CB-CD1 3.64Å; A44-I49 HydrophobicContact CB-CG1 4.06Å; K47-I49 HydrophobicContact CB-CG2 3.97Å; K47-I49 PolarHBondContact O-N 3.29Å; I49-V52 HydrophobicContact CD1-CG2 3.77Å; I49-L70 HydrophobicContact CD1-CD1 3.87Å; I49-L70 HydrophobicContact CG1-CD1 4.29Å; I49-L72 HydrophobicContact CD1-CD1 4.2Å; I49-L72 HydrophobicContact CG1-CD1 3.75Å; I49-L72 VanDerWaalsContact O-CD1 3.29Å; I49-L72 WeakPolarHBondContact O-CD1 3.46Å
50	D	98.2	Very high	97.5	Very high	138 Å²	138	80.1 Å²	80.1	74%	0.738	40%	0.403	S	S	*	.	S	Bend	trans	-113.5	-12.6	175.6	57	3.5	0	0	0	113
51	M	98.3	Very high	97.4	Very high	98 Å²	98	79.9 Å²	79.9	48%	0.483	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	146.5	179.3	-176.5	162.7	-74.3	0	0	111.9	V53 A75	M51-V53 HydrophobicContact CG-CG2 4.34Å; M51-A75 HydrophobicContact CG-CB 4.45Å; M51-A75 HydrophobicContact SD-CB 3.79Å
52	V	98.5	Very high	97.4	Very high	17 Å²	17	81.8 Å²	81.8	10%	0.103	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.4	169.1	-176.9	0	0	0	0	109.2	I49 V66 A67 L70 G73 F74 A75	I49-V52 HydrophobicContact CD1-CG2 3.77Å; V52-V66 HydrophobicContact CG2-CG1 4.12Å; V52-A67 HydrophobicContact CB-CB 3.98Å; V52-A67 HydrophobicContact CG2-CB 3.92Å; V52-L70 HydrophobicContact CG2-CD1 4.36Å; V52-G73 PolarHBondContact N-O 2.7Å; V52-F74 HydrophobicContact CB-CD2 4.18Å; V52-F74 HydrophobicContact CG1-CD2 3.97Å; V52-F74 HydrophobicContact CG1-CE2 4.28Å; V52-F74 CarbonylContact O-C 3.6Å; V52-F74 VanDerWaalsContact O-CA 3.28Å; V52-F74 WeakPolarHBondContact O-CA 3.15Å; V52-A75 PolarHBondContact O-N 3.48Å
53	V	97.8	Very high	97.4	Very high	86 Å²	86	78.8 Å²	78.8	52%	0.521	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131	175.9	-171.3	0	0	0	0	108.7	M51 A75 V77	M51-V53 HydrophobicContact CG-CG2 4.34Å; V53-A75 WeakPolarHBondContact CA-O 3.38Å; V53-A75 HydrophobicContact CG1-CB 4.47Å; V53-A75 WeakPolarHBondContact CG1-O 3.42Å; V53-A75 HydrophobicContact CG2-CB 4.2Å; V53-V77 HydrophobicContact CG1-CG2 3.44Å; V53-V77 VanDerWaalsContact CG1-CG2 3.44Å
54	G	97.1	Very high	97.4	Very high	3 Å²	3	74.8 Å²	74.8	3%	0.031	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.6	178.9	0	0	0	0	0	111.5	F60 A75 V77	G54-F60 WeakPolarHBondContact O-CE1 3.38Å; G54-A75 PolarHBondContact N-O 3.33Å; G54-V77 PolarHBondContact O-N 3.27Å
55	P	97.1	Very high	97.4	Very high	84 Å²	84	76.3 Å²	76.3	55%	0.545	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	144.6	171.8	31	-33.8	0	0	0	111.9	G59 V77	P55-G59 VanDerWaalsContact O-CA 3.25Å; P55-G59 WeakPolarHBondContact O-CA 3.45Å; P55-G59 PolarHBondContact O-N 2.83Å; P55-G59 VanDerWaalsContact O-N 3.15Å; P55-V77 CarbonylContact C-O 3.53Å; P55-V77 WeakPolarHBondContact CA-O 3.39Å
56	E	94	Very high	97.4	Very high	46 Å²	46	70.9 Å²	70.9	22%	0.215	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	153.1	-176.3	78.3	171.2	174.3	0	0	113.5	F60 V77 R78 K79	E56-F60 HydrophobicContact CB-CE1 3.87Å; E56-F60 HydrophobicContact CB-CE2 4.07Å; E56-F60 HydrophobicContact CB-CZ 3.52Å; E56-V77 PolarHBondContact N-O 2.86Å; E56-R78 HydrophobicContact CB-CG 4.46Å; E56-R78 HydrophobicContact CG-CB 4.42Å; E56-R78 IonicContact OE2-CZ 3.32Å; E56-R78 VanDerWaalsContact OE2-CZ 3.32Å; E56-R78 IonicContact OE2-NE 2.83Å; E56-R78 PolarHBondContact OE2-NE 2.88Å; E56-R78 IonicContact OE2-NH2 2.91Å; E56-R78 PolarHBondContact OE2-NH2 3.17Å; E56-K79 HydrophobicContact CG-CG 4.47Å; E56-K79 WeakPolarHBondContact OE1-CB 3.33Å; E56-K79 VanDerWaalsContact OE1-CD 3.23Å; E56-K79 WeakPolarHBondContact OE1-CD 3.48Å; E56-K79 WeakPolarHBondContact OE1-CG 3.42Å; E56-K79 PolarHBondContact OE1-N 3.02Å
57	A	95.1	Very high	97.4	Very high	65 Å²	65	64 Å²	64	54%	0.537	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	cis	-96.4	-30.4	-17.7	0	0	0	0	0	111.2	G59 F60	A57-G59 PolarHBondContact O-N 3.18Å; A57-F60 VanDerWaalsContact O-CB 3.29Å; A57-F60 WeakPolarHBondContact O-CB 3.43Å; A57-F60 PolarHBondContact O-N 2.83Å
58	R	95.4	Very high	97.4	Very high	160 Å²	160	66.3 Å²	66.3	60%	0.604	36%	0.355	S	S	*	.	H	α-helix	trans	-64	-29.1	-175.4	-73.1	175.5	-76.2	168.9	-3.8	112.8	F20 F60 I61	F20-R58 VanDerWaalsContact CE2-NH1 3.31Å; R58-F60 PolarHBondContact O-N 2.93Å; R58-I61 PolarHBondContact O-N 3.43Å
59	G	97.1	Very high	97.5	Very high	23 Å²	23	63.3 Å²	63.3	24%	0.237	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-27.7	174.4	0	0	0	0	0	113.1	P55 A57 I61 V62 G63	P55-G59 VanDerWaalsContact O-CA 3.25Å; P55-G59 WeakPolarHBondContact O-CA 3.45Å; P55-G59 PolarHBondContact O-N 2.83Å; P55-G59 VanDerWaalsContact O-N 3.15Å; A57-G59 PolarHBondContact O-N 3.18Å; G59-I61 VanDerWaalsContact C-N 3.33Å; G59-I61 PolarHBondContact O-N 3.25Å; G59-V62 PolarHBondContact O-N 3.48Å; G59-G63 PolarHBondContact O-N 3.13Å
60	F	97.7	Very high	97.5	Very high	46 Å²	46	62 Å²	62	20%	0.202	34%	0.335	C	S	.	.	H	α-helix	trans	-68.2	-36.5	178.9	-59.6	-4	0	0	0	111.5	G54 E56 A57 R58 V62 G63 C64 F74 P76 R78	G54-F60 WeakPolarHBondContact O-CE1 3.38Å; E56-F60 HydrophobicContact CB-CE1 3.87Å; E56-F60 HydrophobicContact CB-CE2 4.07Å; E56-F60 HydrophobicContact CB-CZ 3.52Å; A57-F60 VanDerWaalsContact O-CB 3.29Å; A57-F60 WeakPolarHBondContact O-CB 3.43Å; A57-F60 PolarHBondContact O-N 2.83Å; R58-F60 PolarHBondContact O-N 2.93Å; F60-V62 PolarHBondContact O-N 2.82Å; F60-G63 PolarHBondContact O-N 3.36Å; F60-C64 VanDerWaalsContact O-CB 3.25Å; F60-C64 WeakPolarHBondContact O-CB 3.5Å; F60-C64 PolarHBondContact O-N 3.11Å; F60-C64 PolarHBondContact O-SG 3.33Å; F60-C64 VanDerWaalsContact O-SG 3.34Å; F60-F74 HydrophobicContact CB-CZ 4.46Å; F60-F74 HydrophobicContact CD1-CE1 4.01Å; F60-F74 AromaticContact CD1-CZ 3.66Å; F60-F74 HydrophobicContact CD1-CZ 3.66Å; F60-F74 HydrophobicContact CE1-CE1 4.36Å; F60-F74 HydrophobicContact CE1-CZ 4.25Å; F60-F74 HydrophobicContact CG-CE1 4.4Å; F60-F74 HydrophobicContact CG-CZ 4.27Å; F60-P76 HydrophobicContact CE1-CB 3.85Å; F60-P76 HydrophobicContact CE2-CB 4.45Å; F60-P76 HydrophobicContact CZ-CB 3.65Å; F60-R78 HydrophobicContact CZ-CG 4.02Å
61	I	97.2	Very high	97.4	Very high	64 Å²	64	58.8 Å²	58.8	33%	0.328	33%	0.334	S	S	.	.	H	α-helix	trans	-64.7	-27.1	-177.6	-55.6	172.3	0	0	0	110.8	M27 Y33 R58 G59 P65	M27-I61 HydrophobicContact CE-CD1 4.21Å; M27-I61 HydrophobicContact CE-CG2 3.47Å; M27-I61 VanDerWaalsContact CE-CG2 3.47Å; M27-I61 HydrophobicContact CG-CG2 4.49Å; M27-I61 HydrophobicContact SD-CD1 4.46Å; M27-I61 HydrophobicContact SD-CG2 3.71Å; Y33-I61 PolarHBondContact OH-O 2.87Å; R58-I61 PolarHBondContact O-N 3.43Å; G59-I61 VanDerWaalsContact C-N 3.33Å; G59-I61 PolarHBondContact O-N 3.25Å; I61-P65 WeakPolarHBondContact O-CD 3.42Å; I61-P65 WeakPolarHBondContact O-CG 3.37Å
62	V	97.1	Very high	97.4	Very high	43 Å²	43	56.8 Å²	56.8	26%	0.261	33%	0.325	S	S	.	.	H	α-helix	trans	-97.2	-45	175.7	-178.8	0	0	0	0	111.1	I40 G59 F60 P65 V66	I40-V62 HydrophobicContact CD1-CG1 3.36Å; G59-V62 PolarHBondContact O-N 3.48Å; F60-V62 PolarHBondContact O-N 2.82Å; V62-P65 WeakPolarHBondContact O-CD 3.29Å; V62-V66 VanDerWaalsContact O-CG2 3.26Å; V62-V66 WeakPolarHBondContact O-CG2 3.47Å; V62-V66 PolarHBondContact O-N 3.38Å
63	G	98.2	Very high	97.4	Very high	9 Å²	9	57.8 Å²	57.8	9%	0.093	34%	0.339	C	S	.	.	H	α-helix	trans	-68.7	-37.7	-173.8	0	0	0	0	0	114.2	G59 F60 V66 A67	G59-G63 PolarHBondContact O-N 3.13Å; F60-G63 PolarHBondContact O-N 3.36Å; G63-V66 PolarHBondContact O-N 2.92Å; G63-A67 PolarHBondContact O-N 3.29Å
64	C	98.2	Very high	97.5	Very high	53 Å²	53	56.2 Å²	56.2	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-49	179.8	-67.5	0	0	0	0	112.4	F60 V66 A67 F68	F60-C64 VanDerWaalsContact O-CB 3.25Å; F60-C64 WeakPolarHBondContact O-CB 3.5Å; F60-C64 PolarHBondContact O-N 3.11Å; F60-C64 PolarHBondContact O-SG 3.33Å; F60-C64 VanDerWaalsContact O-SG 3.34Å; C64-V66 VanDerWaalsContact C-N 3.29Å; C64-V66 PolarHBondContact O-N 3.15Å; C64-A67 PolarHBondContact O-N 2.98Å; C64-F68 WeakPolarHBondContact O-CB 3.46Å; C64-F68 PolarHBondContact O-N 3.14Å
65	P	98.2	Very high	97.5	Very high	38 Å²	38	57.5 Å²	57.5	25%	0.247	34%	0.335	C	S	.	.	H	α-helix	trans	-58.3	-37.3	173.1	-26.7	33.6	0	0	0	114	Y33 T37 I61 V62 F68 E69	Y33-P65 WeakPolarHBondContact OH-CG 3.43Å; T37-P65 HydrophobicContact CG2-CB 3.87Å; I61-P65 WeakPolarHBondContact O-CD 3.42Å; I61-P65 WeakPolarHBondContact O-CG 3.37Å; V62-P65 WeakPolarHBondContact O-CD 3.29Å; P65-F68 PolarHBondContact O-N 2.62Å; P65-E69 WeakPolarHBondContact O-CB 3.39Å; P65-E69 PolarHBondContact O-N 3.3Å
66	V	98.5	Very high	97.4	Very high	4 Å²	4	56 Å²	56	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-65.1	-47.8	177.6	173.4	0	0	0	0	110.7	T37 I40 V41 V52 V62 G63 C64 F68 E69 L70	T37-V66 HydrophobicContact CG2-CG2 4.06Å; I40-V66 HydrophobicContact CB-CG2 3.96Å; I40-V66 HydrophobicContact CG2-CG1 4.1Å; I40-V66 HydrophobicContact CG2-CG2 3.65Å; V41-V66 HydrophobicContact CG2-CB 4.27Å; V41-V66 HydrophobicContact CG2-CG1 4.06Å; V41-V66 HydrophobicContact CG2-CG2 4.2Å; V52-V66 HydrophobicContact CG2-CG1 4.12Å; V62-V66 VanDerWaalsContact O-CG2 3.26Å; V62-V66 WeakPolarHBondContact O-CG2 3.47Å; V62-V66 PolarHBondContact O-N 3.38Å; G63-V66 PolarHBondContact O-N 2.92Å; C64-V66 VanDerWaalsContact C-N 3.29Å; C64-V66 PolarHBondContact O-N 3.15Å; V66-F68 VanDerWaalsContact C-N 3.33Å; V66-F68 PolarHBondContact O-N 3.08Å; V66-E69 PolarHBondContact O-N 3.2Å; V66-L70 HydrophobicContact CG1-CD1 3.79Å; V66-L70 WeakPolarHBondContact O-CB 3.38Å; V66-L70 VanDerWaalsContact O-CG 3.26Å; V66-L70 WeakPolarHBondContact O-CG 3.43Å; V66-L70 PolarHBondContact O-N 2.96Å; V66-L70 VanDerWaalsContact O-N 3.09Å
67	A	98.6	Very high	97.6	Very high	3 Å²	3	57.5 Å²	57.5	3%	0.025	34%	0.338	C	S	.	.	H	α-helix	trans	-59.1	-45.4	175.8	0	0	0	0	0	111.8	V52 G63 C64 L70 G71 L72 F74	V52-A67 HydrophobicContact CB-CB 3.98Å; V52-A67 HydrophobicContact CG2-CB 3.92Å; G63-A67 PolarHBondContact O-N 3.29Å; C64-A67 PolarHBondContact O-N 2.98Å; A67-L70 PolarHBondContact O-N 2.87Å; A67-G71 PolarHBondContact O-N 2.98Å; A67-G71 VanDerWaalsContact O-N 3.08Å; A67-L72 PolarHBondContact O-N 3.11Å; A67-F74 HydrophobicContact CB-CB 3.82Å; A67-F74 HydrophobicContact CB-CD2 4.43Å
68	F	98.4	Very high	97.6	Very high	172 Å²	172	59.3 Å²	59.3	75%	0.754	33%	0.331	S	S	*	.	H	α-helix	trans	-58	-49.9	177.9	176.9	-93.5	0	0	0	111.9	C64 P65 V66 L70 G71	C64-F68 WeakPolarHBondContact O-CB 3.46Å; C64-F68 PolarHBondContact O-N 3.14Å; P65-F68 PolarHBondContact O-N 2.62Å; V66-F68 VanDerWaalsContact C-N 3.33Å; V66-F68 PolarHBondContact O-N 3.08Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 3.22Å; F68-G71 PolarHBondContact O-N 3.17Å
69	E	98.2	Very high	97.6	Very high	116 Å²	116	58.7 Å²	58.7	54%	0.542	33%	0.332	S	S	.	.	H	α-helix	trans	-66	-30.5	-179.4	-176.4	64	-159.1	0	0	112.8	V41 P65 V66	V41-E69 HydrophobicContact CB-CG 4.39Å; V41-E69 HydrophobicContact CG1-CB 4.5Å; V41-E69 HydrophobicContact CG1-CG 3.79Å; V41-E69 HydrophobicContact CG2-CB 3.84Å; V41-E69 HydrophobicContact CG2-CG 3.82Å; P65-E69 WeakPolarHBondContact O-CB 3.39Å; P65-E69 PolarHBondContact O-N 3.3Å; V66-E69 PolarHBondContact O-N 3.2Å
70	L	98	Very high	97.4	Very high	34 Å²	34	63.4 Å²	63.4	18%	0.178	36%	0.358	C	S	.	.	H	α-helix	trans	-82	-13.2	176.9	-67.5	169.5	0	0	0	113.5	V41 A44 K45 I49 V52 V66 A67 F68 L72	V41-L70 HydrophobicContact CG1-CD2 3.85Å; V41-L70 HydrophobicContact CG1-CG 4.3Å; A44-L70 HydrophobicContact CB-CD1 3.66Å; K45-L70 HydrophobicContact CD-CD2 4.15Å; K45-L70 HydrophobicContact CG-CD2 3.39Å; I49-L70 HydrophobicContact CD1-CD1 3.87Å; I49-L70 HydrophobicContact CG1-CD1 4.29Å; V52-L70 HydrophobicContact CG2-CD1 4.36Å; V66-L70 HydrophobicContact CG1-CD1 3.79Å; V66-L70 WeakPolarHBondContact O-CB 3.38Å; V66-L70 VanDerWaalsContact O-CG 3.26Å; V66-L70 WeakPolarHBondContact O-CG 3.43Å; V66-L70 PolarHBondContact O-N 2.96Å; V66-L70 VanDerWaalsContact O-N 3.09Å; A67-L70 PolarHBondContact O-N 2.87Å; F68-L70 VanDerWaalsContact C-N 3.29Å; F68-L70 PolarHBondContact O-N 3.22Å; L70-L72 VanDerWaalsContact C-N 3.27Å; L70-L72 HydrophobicContact CB-CB 4.26Å; L70-L72 HydrophobicContact CB-CD1 3.88Å; L70-L72 HydrophobicContact CB-CG 3.79Å; L70-L72 HydrophobicContact CD1-CD1 4.04Å
71	G	98.1	Very high	97.3	Very high	70 Å²	70	65.2 Å²	65.2	72%	0.722	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	29.4	-169.8	0	0	0	0	0	113.2	A67 F68	A67-G71 PolarHBondContact O-N 2.98Å; A67-G71 VanDerWaalsContact O-N 3.08Å; F68-G71 PolarHBondContact O-N 3.17Å
72	L	98.2	Very high	97.2	Very high	56 Å²	56	67.8 Å²	67.8	29%	0.293	40%	0.399	S	S	.	.			trans	-109.2	165.8	-178.6	-62.9	178.8	0	0	0	112	I49 A67 L70	I49-L72 HydrophobicContact CD1-CD1 4.2Å; I49-L72 HydrophobicContact CG1-CD1 3.75Å; I49-L72 VanDerWaalsContact O-CD1 3.29Å; I49-L72 WeakPolarHBondContact O-CD1 3.46Å; A67-L72 PolarHBondContact O-N 3.11Å; L70-L72 VanDerWaalsContact C-N 3.27Å; L70-L72 HydrophobicContact CB-CB 4.26Å; L70-L72 HydrophobicContact CB-CD1 3.88Å; L70-L72 HydrophobicContact CB-CG 3.79Å; L70-L72 HydrophobicContact CD1-CD1 4.04Å
73	G	98.2	Very high	97.1	Very high	38 Å²	38	69 Å²	69	39%	0.392	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	151.1	172.8	0	0	0	0	0	112.9	V52	V52-G73 PolarHBondContact N-O 2.7Å
74	F	98.5	Very high	96.9	Very high	54 Å²	54	74.7 Å²	74.7	24%	0.237	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.5	169.4	179.8	-97.7	0	0	0	110.7	V52 F60 A67 P76	V52-F74 HydrophobicContact CB-CD2 4.18Å; V52-F74 HydrophobicContact CG1-CD2 3.97Å; V52-F74 HydrophobicContact CG1-CE2 4.28Å; V52-F74 CarbonylContact O-C 3.6Å; V52-F74 VanDerWaalsContact O-CA 3.28Å; V52-F74 WeakPolarHBondContact O-CA 3.15Å; F60-F74 HydrophobicContact CB-CZ 4.46Å; F60-F74 HydrophobicContact CD1-CE1 4.01Å; F60-F74 AromaticContact CD1-CZ 3.66Å; F60-F74 HydrophobicContact CD1-CZ 3.66Å; F60-F74 HydrophobicContact CE1-CE1 4.36Å; F60-F74 HydrophobicContact CE1-CZ 4.25Å; F60-F74 HydrophobicContact CG-CE1 4.4Å; F60-F74 HydrophobicContact CG-CZ 4.27Å; A67-F74 HydrophobicContact CB-CB 3.82Å; A67-F74 HydrophobicContact CB-CD2 4.43Å; F74-P76 HydrophobicContact CE1-CB 3.99Å
75	A	97	Very high	96.8	Very high	29 Å²	29	82.5 Å²	82.5	24%	0.24	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.9	173.6	0	0	0	0	0	110.8	M51 V52 V53 G54	M51-A75 HydrophobicContact CG-CB 4.45Å; M51-A75 HydrophobicContact SD-CB 3.79Å; V52-A75 PolarHBondContact O-N 3.48Å; V53-A75 WeakPolarHBondContact CA-O 3.38Å; V53-A75 HydrophobicContact CG1-CB 4.47Å; V53-A75 WeakPolarHBondContact CG1-O 3.42Å; V53-A75 HydrophobicContact CG2-CB 4.2Å; G54-A75 PolarHBondContact N-O 3.33Å
76	P	96.4	Very high	96.7	Very high	53 Å²	53	90.1 Å²	90.1	34%	0.344	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.3	176.2	29.5	-32	0	0	0	111.3	F60 F74 R78 L83	F60-P76 HydrophobicContact CE1-CB 3.85Å; F60-P76 HydrophobicContact CE2-CB 4.45Å; F60-P76 HydrophobicContact CZ-CB 3.65Å; F74-P76 HydrophobicContact CE1-CB 3.99Å; P76-R78 HydrophobicContact CB-CG 4.28Å; P76-L83 HydrophobicContact CG-CD2 4.25Å
77	V	96.9	Very high	96.4	Very high	78 Å²	78	93.5 Å²	93.5	47%	0.473	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.2	164.7	173.1	0	0	0	0	108.3	V53 G54 P55 E56	V53-V77 HydrophobicContact CG1-CG2 3.44Å; V53-V77 VanDerWaalsContact CG1-CG2 3.44Å; G54-V77 PolarHBondContact O-N 3.27Å; P55-V77 CarbonylContact C-O 3.53Å; P55-V77 WeakPolarHBondContact CA-O 3.39Å; E56-V77 PolarHBondContact N-O 2.86Å
78	R	96.5	Very high	95.9	Very high	103 Å²	103	101.7 Å²	101.7	39%	0.389	56%	0.555	S	S	.	*			trans	-129.6	158.6	-174.4	-50.8	-159.3	66.5	179.3	2.1	111.2	E56 F60 P76 K82 L83	E56-R78 HydrophobicContact CB-CG 4.46Å; E56-R78 HydrophobicContact CG-CB 4.42Å; E56-R78 IonicContact OE2-CZ 3.32Å; E56-R78 VanDerWaalsContact OE2-CZ 3.32Å; E56-R78 IonicContact OE2-NE 2.83Å; E56-R78 PolarHBondContact OE2-NE 2.88Å; E56-R78 IonicContact OE2-NH2 2.91Å; E56-R78 PolarHBondContact OE2-NH2 3.17Å; F60-R78 HydrophobicContact CZ-CG 4.02Å; P76-R78 HydrophobicContact CB-CG 4.28Å; R78-K82 HydrophobicContact CB-CB 3.64Å; R78-K82 HydrophobicContact CB-CG 4.47Å; R78-K82 HydrophobicContact CG-CB 4.42Å; R78-L83 HydrophobicContact CB-CG 4.22Å; R78-L83 HydrophobicContact CG-CD2 4.01Å; R78-L83 HydrophobicContact CG-CG 4.09Å
79	K	94.6	Very high	95.1	Very high	147 Å²	147	104.9 Å²	104.9	64%	0.639	57%	0.572	S	S	*	*	S	Bend	trans	-57.7	156.6	170.6	-69.1	167	-170.7	-177.5	0	110.6	E56 G81 K82	E56-K79 HydrophobicContact CG-CG 4.47Å; E56-K79 WeakPolarHBondContact OE1-CB 3.33Å; E56-K79 VanDerWaalsContact OE1-CD 3.23Å; E56-K79 WeakPolarHBondContact OE1-CD 3.48Å; E56-K79 WeakPolarHBondContact OE1-CG 3.42Å; E56-K79 PolarHBondContact OE1-N 3.02Å; K79-G81 PolarHBondContact O-N 2.84Å; K79-K82 HydrophobicContact CB-CG 4.46Å; K79-K82 WeakPolarHBondContact O-CB 3.46Å; K79-K82 WeakPolarHBondContact O-CG 3.47Å; K79-K82 PolarHBondContact O-N 2.85Å
80	P	93.6	Very high	94.9	Very high	121 Å²	121	104.3 Å²	104.3	79%	0.786	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49	139.4	178.8	-29.8	36.1	0	0	0	113.2	K82	P80-K82 VanDerWaalsContact C-N 3.32Å; P80-K82 PolarHBondContact O-N 3.24Å
81	G	94	Very high	94.8	Very high	84 Å²	84	108 Å²	108	87%	0.866	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.1	6.4	179	0	0	0	0	0	116	K79	K79-G81 PolarHBondContact O-N 2.84Å
82	K	95.1	Very high	94.6	Very high	118 Å²	118	110.1 Å²	110.1	51%	0.513	59%	0.588	S	S	.	*			trans	-98.9	-13.7	179.3	-63.4	-62.7	-173.9	-176.9	0	114.9	R78 K79 P80	R78-K82 HydrophobicContact CB-CB 3.64Å; R78-K82 HydrophobicContact CB-CG 4.47Å; R78-K82 HydrophobicContact CG-CB 4.42Å; K79-K82 HydrophobicContact CB-CG 4.46Å; K79-K82 WeakPolarHBondContact O-CB 3.46Å; K79-K82 WeakPolarHBondContact O-CG 3.47Å; K79-K82 PolarHBondContact O-N 2.85Å; P80-K82 VanDerWaalsContact C-N 3.32Å; P80-K82 PolarHBondContact O-N 3.24Å
83	L	95.5	Very high	94.4	Very high	69 Å²	69	113.3 Å²	113.3	36%	0.361	61%	0.605	S	S	.	*	S	Bend	trans	-102.1	135	172.9	-69.5	173.2	0	0	0	109	P76 R78 V87	P76-L83 HydrophobicContact CG-CD2 4.25Å; R78-L83 HydrophobicContact CB-CG 4.22Å; R78-L83 HydrophobicContact CG-CD2 4.01Å; R78-L83 HydrophobicContact CG-CG 4.09Å; L83-V87 HydrophobicContact CB-CG1 3.78Å; L83-V87 HydrophobicContact CD1-CG1 3.95Å
84	P	95.4	Very high	94.1	Very high	129 Å²	129	118 Å²	118	84%	0.838	62%	0.618	S	S	*	*	S	Bend	trans	-86.7	-6.7	-172.9	34	-37	0	0	0	114.5
85	R	95.5	Very high	93.8	Very high	217 Å²	217	122.3 Å²	122.3	82%	0.819	64%	0.644	S	S	*	*	S	Bend	trans	-107.3	175.9	-178.9	-67	-171.7	-67.1	173.8	-1.1	110.3	V87	R85-V87 WeakPolarHBondContact O-CG1 3.5Å; R85-V87 PolarHBondContact O-N 3.27Å
86	E	94.8	Very high	93.6	Very high	198 Å²	198	128.9 Å²	128.9	93%	0.925	67%	0.673	S	S	*	*			trans	-51.5	137.4	167.8	-170.8	176	179.9	0	0	110.8
87	V	92.2	Very high	93.4	Very high	74 Å²	74	134.8 Å²	134.8	45%	0.448	70%	0.698	S	S	.	*			trans	-125.7	157.9	-176.9	-65.4	0	0	0	0	110.2	L83 R85	L83-V87 HydrophobicContact CB-CG1 3.78Å; L83-V87 HydrophobicContact CD1-CG1 3.95Å; R85-V87 WeakPolarHBondContact O-CG1 3.5Å; R85-V87 PolarHBondContact O-N 3.27Å
88	I	88.9	Confident	93.1	Very high	175 Å²	175	139.5 Å²	139.5	90%	0.897	72%	0.717	S	S	*	*			trans	-102.5	135.2	167.7	-55.1	171.4	0	0	0	106.5
89	E	81.2	Confident	92.8	Very high	239 Å²	239	142.8 Å²	142.8	100%	1.117	75%	0.746	S	S	*	*			trans	-101.5	0	179	-64.2	-168.8	162.5	0	0	112.8

Retrieved 89 of 89 residues in 123.6 ms (Link to these results)

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