DPH3_PONAB Loading...

Diphthamide biosynthesis protein 3

Required for the first step of diphthamide biosynthesis, a post-translational modification of histidine which occurs in elongation factor 2. DPH1 and DPH2 transfer a 3-amino-3-carboxypropyl (ACP) group from S-adenosyl-L-methionine (SAM) to a histidine residue, the reaction is assisted by a reduction system comprising DPH3 and a NADH-dependent reductase. Acts as an electron donor to reduce the Fe-S cluster in DPH1-DPH2 keeping the [4Fe-4S] clusters in the active and reduced state. Restores iron to DPH1-DPH2 iron-sulfur clusters which have degraded from [4Fe-4S] to [3Fe-4S] by donating an iron atom to reform [4Fe-4S] clusters, in a manner dependent on the presence of elongation factor 2 and SAM. Associates with the elongator complex and is required for tRNA Wobble base modifications mediated by the elongator complex. The elongator complex is required for multiple tRNA modifications, including mcm5U (5-methoxycarbonylmethyl uridine), mcm5s 2U (5-methoxycarbonylmethyl-2-thiouridine), and ncm5U (5-carbamoylmethyl uridine).

AlphaFold DB , UniProt , Accession Q5R7N8, Species PONAB (Pongo abelii, Sumatran orangutan), Gene DPH3, Length 82 aa.

						>DPH3_PONAB|Q5R7N8|DPH3
MAVFHDEVEIEDFQYDEDSETYFYPCPCGDNFSITKEDLENGEDVATCPSCSLIIKVIYDKDQFVCGETVPAPSANKELVKC
					

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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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	65.3	Low	88.9	Confident	234 Å²	234	101 Å²	101	100%	1.153	52%	0.519	S	S	*	.				0	111.9	0	-163.1	148.4	-167	0	106
2	A	71.3	Confident	89.4	Confident	61 Å²	61	98.4 Å²	98.4	50%	0.504	51%	0.507	S	S	.	.			trans	-68.5	129.6	171.7	0	0	0	0	107.2	F4 I54	A2-F4 HydrophobicContact CB-CZ 4.33Å; A2-I54 HydrophobicContact CB-CD1 3.94Å
3	V	83.9	Confident	90	Very high	127 Å²	127	91.2 Å²	91.2	77%	0.77	47%	0.469	S	S	*	.			trans	-94.8	112.3	174.1	180	0	0	0	105.8
4	F	92	Very high	90.4	Very high	68 Å²	68	89.2 Å²	89.2	30%	0.298	46%	0.457	S	S	.	.			trans	-77.9	141.4	174.6	-61.4	-75.8	0	0	109.5	A2 V45 I54 K56	A2-F4 HydrophobicContact CB-CZ 4.33Å; F4-V45 HydrophobicContact CE1-CG1 4.22Å; F4-V45 HydrophobicContact CE1-CG2 3.92Å; F4-V45 HydrophobicContact CZ-CG2 4.3Å; F4-I54 HydrophobicContact CD1-CD1 4.12Å; F4-I54 HydrophobicContact CD1-CG1 4.07Å; F4-I54 HydrophobicContact CE1-CD1 4.12Å; F4-I54 HydrophobicContact CE1-CG1 4.49Å; F4-K56 HydrophobicContact CB-CB 4.47Å; F4-K56 HydrophobicContact CD1-CB 3.85Å; F4-K56 HydrophobicContact CD2-CB 4.36Å; F4-K56 HydrophobicContact CE1-CB 4.12Å; F4-K56 HydrophobicContact CE2-CD 4.42Å; F4-K56 HydrophobicContact CG-CB 3.97Å; F4-K56 HydrophobicContact CZ-CB 4.5Å
5	H	90.8	Very high	90.7	Very high	87 Å²	87	88.5 Å²	88.5	40%	0.403	45%	0.447	S	S	.	.	S	Bend	trans	-66.9	-46.9	172.5	-177.1	52.7	0	0	110	I54 I55	H5-I54 WeakPolarHBondContact CB-O 3.42Å; H5-I54 PolarHBondContact N-O 2.85Å; H5-I55 HydrophobicContact CB-CG2 3.95Å
6	D	93.6	Very high	90.9	Very high	87 Å²	87	86.5 Å²	86.5	47%	0.465	44%	0.438	S	S	.	.			trans	-153.7	168.9	-179.7	-73.5	-76.1	0	0	110.9	V8 I55 K56	D6-V8 HydrophobicContact CB-CG2 4.17Å; D6-I55 HydrophobicContact CB-CG2 4.16Å; D6-I55 WeakPolarHBondContact O-CA 3.29Å; D6-I55 WeakPolarHBondContact O-CB 3.43Å; D6-K56 PolarHBondContact O-N 3.47Å
7	E	95.9	Very high	91	Very high	137 Å²	137	90.9 Å²	90.9	64%	0.64	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.9	169	-55.1	-175.4	84.9	0	107.9	K56 I58	E7-K56 CarbonylContact C-O 3.58Å; E7-K56 WeakPolarHBondContact CA-O 3.46Å; E7-K56 HydrophobicContact CB-CB 4.43Å; E7-K56 HydrophobicContact CG-CB 4.03Å; E7-K56 HydrophobicContact CG-CD 4.3Å; E7-K56 WeakPolarHBondContact OE1-CD 3.34Å; E7-I58 HydrophobicContact CB-CD1 4.25Å; E7-I58 HydrophobicContact CB-CG1 4.2Å
8	V	96.8	Very high	91	Very high	14 Å²	14	94.8 Å²	94.8	9%	0.085	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.6	-170.2	-177.3	0	0	0	109.8	D6 D12 F13 Y24 I55 K56 V57 I58	D6-V8 HydrophobicContact CB-CG2 4.17Å; V8-D12 HydrophobicContact CG1-CB 4.17Å; V8-F13 HydrophobicContact CB-CE2 3.82Å; V8-F13 HydrophobicContact CG1-CD2 4.06Å; V8-F13 HydrophobicContact CG1-CE2 3.59Å; V8-Y24 HydrophobicContact CG1-CD2 3.88Å; V8-Y24 HydrophobicContact CG1-CE1 4.27Å; V8-Y24 HydrophobicContact CG1-CE2 3.54Å; V8-Y24 HydrophobicContact CG1-CG 4.4Å; V8-Y24 HydrophobicContact CG2-CD1 4.49Å; V8-Y24 HydrophobicContact CG2-CE1 4.06Å; V8-I55 HydrophobicContact CB-CD1 4.37Å; V8-I55 HydrophobicContact CG2-CD1 4.09Å; V8-K56 PolarHBondContact N-O 3.34Å; V8-V57 CarbonylContact O-C 3.56Å; V8-V57 WeakPolarHBondContact O-CA 3.31Å; V8-I58 PolarHBondContact O-N 3.02Å
9	E	97.2	Very high	91.1	Very high	127 Å²	127	93.6 Å²	93.6	59%	0.593	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	138.4	176.8	-63.4	-177.2	117.5	0	111.2	E11 D12 F13 I58	E9-E11 PolarHBondContact O-N 3.01Å; E9-E11 VanDerWaalsContact O-N 3.09Å; E9-D12 PolarHBondContact O-N 2.88Å; E9-F13 WeakPolarHBondContact O-CD2 3.4Å; E9-I58 CarbonylContact C-O 3.42Å; E9-I58 WeakPolarHBondContact CA-O 3.46Å; E9-I58 HydrophobicContact CG-CB 4.29Å
10	I	95.7	Very high	91.3	Very high	16 Å²	16	93.9 Å²	93.9	8%	0.082	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	-57.6	-26.9	-179.2	-170.7	60.8	0	0	112.9	D12 F13 Y22 L39 V57 I58 F64	I10-D12 PolarHBondContact O-N 3.01Å; I10-F13 HydrophobicContact CD1-CB 4.35Å; I10-F13 HydrophobicContact CD1-CD2 4.44Å; I10-F13 HydrophobicContact CD1-CG 4.31Å; I10-F13 WeakPolarHBondContact O-CB 3.44Å; I10-F13 PolarHBondContact O-N 3.06Å; I10-Y22 HydrophobicContact CD1-CD1 3.49Å; I10-Y22 VanDerWaalsContact CD1-CD1 3.49Å; I10-Y22 HydrophobicContact CD1-CD2 4.04Å; I10-Y22 HydrophobicContact CD1-CE1 3.87Å; I10-Y22 HydrophobicContact CD1-CE2 4.39Å; I10-Y22 HydrophobicContact CD1-CG 3.58Å; I10-Y22 HydrophobicContact CG1-CD1 4.11Å; I10-Y22 HydrophobicContact CG1-CE1 4.01Å; I10-L39 HydrophobicContact CD1-CD1 3.69Å; I10-L39 HydrophobicContact CG1-CD1 4.32Å; I10-V57 HydrophobicContact CB-CG1 4.09Å; I10-V57 HydrophobicContact CD1-CG1 3.8Å; I10-V57 HydrophobicContact CG1-CG1 4.48Å; I10-I58 PolarHBondContact N-O 3.43Å; I10-F64 HydrophobicContact CG1-CE2 4.48Å; I10-F64 HydrophobicContact CG1-CZ 4.07Å
11	E	94.7	Very high	91.5	Very high	153 Å²	153	89.8 Å²	89.8	72%	0.715	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-67.6	-20.6	176.9	-61.5	-173	91.1	0	113.4	E9	E9-E11 PolarHBondContact O-N 3.01Å; E9-E11 VanDerWaalsContact O-N 3.09Å
12	D	96	Very high	93	Very high	70 Å²	70	80.2 Å²	80.2	37%	0.374	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-86.8	-11.8	175.3	-156.5	-140.7	0	0	112.6	V8 E9 I10 Y24 K77	V8-D12 HydrophobicContact CG1-CB 4.17Å; E9-D12 PolarHBondContact O-N 2.88Å; I10-D12 PolarHBondContact O-N 3.01Å; D12-Y24 HydrophobicContact CB-CE2 4.13Å; D12-Y24 WeakPolarHBondContact OD1-CE2 3.43Å; D12-Y24 PolarHBondContact OD1-OH 2.94Å; D12-Y24 VanDerWaalsContact OD1-OH 3.09Å; D12-K77 IonicContact OD2-NZ 3.6Å
13	F	96	Very high	94.2	Very high	4 Å²	4	79.9 Å²	79.9	2%	0.018	40%	0.398	C	S	.	.	S	Bend	trans	-74.5	149.7	173	-74.2	-118.5	0	0	110.9	V8 E9 I10 Y22 F23 Y24 I34 A46 I55 V57	V8-F13 HydrophobicContact CB-CE2 3.82Å; V8-F13 HydrophobicContact CG1-CD2 4.06Å; V8-F13 HydrophobicContact CG1-CE2 3.59Å; E9-F13 WeakPolarHBondContact O-CD2 3.4Å; I10-F13 HydrophobicContact CD1-CB 4.35Å; I10-F13 HydrophobicContact CD1-CD2 4.44Å; I10-F13 HydrophobicContact CD1-CG 4.31Å; I10-F13 WeakPolarHBondContact O-CB 3.44Å; I10-F13 PolarHBondContact O-N 3.06Å; F13-Y22 HydrophobicContact CB-CD1 4.01Å; F13-Y22 HydrophobicContact CB-CG 4.46Å; F13-F23 WeakPolarHBondContact CA-O 3.44Å; F13-Y24 HydrophobicContact CD2-CD2 4.08Å; F13-Y24 HydrophobicContact CE1-CG 4.42Å; F13-Y24 HydrophobicContact CE2-CD2 4.24Å; F13-Y24 HydrophobicContact CE2-CG 4.37Å; F13-Y24 HydrophobicContact CG-CD2 4.3Å; F13-Y24 HydrophobicContact CZ-CG 4.29Å; F13-I34 HydrophobicContact CE1-CG2 4.29Å; F13-A46 HydrophobicContact CE1-CB 3.84Å; F13-A46 HydrophobicContact CZ-CB 4.1Å; F13-I55 HydrophobicContact CE1-CD1 4.19Å; F13-I55 HydrophobicContact CE2-CD1 4.31Å; F13-I55 HydrophobicContact CZ-CD1 3.5Å; F13-I55 VanDerWaalsContact CZ-CD1 3.5Å; F13-I55 HydrophobicContact CZ-CG1 4.29Å; F13-V57 HydrophobicContact CE1-CG2 4.33Å; F13-V57 HydrophobicContact CE2-CG1 4.13Å; F13-V57 HydrophobicContact CE2-CG2 4.36Å; F13-V57 HydrophobicContact CZ-CG1 4.28Å; F13-V57 HydrophobicContact CZ-CG2 3.75Å
14	Q	96	Very high	94.8	Very high	64 Å²	64	76.4 Å²	76.4	30%	0.299	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	120.1	169.2	-178.5	169.5	86.8	0	109.3	Y22 F23 K77	Q14-Y22 CarbonylContact O-C 3.6Å; Q14-Y22 WeakPolarHBondContact O-CA 3.35Å; Q14-F23 PolarHBondContact N-O 2.76Å; Q14-F23 PolarHBondContact O-N 3.5Å; Q14-K77 PolarHBondContact NE2-O 2.95Å
15	Y	94.9	Very high	95	Very high	78 Å²	78	77.2 Å²	77.2	31%	0.306	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.3	175.7	-175.5	-119	0	0	111.3	E17 Y22 K36	Y15-E17 HydrophobicContact CD1-CG 3.92Å; Y15-E17 HydrophobicContact CE1-CB 4.38Å; Y15-E17 HydrophobicContact CE1-CG 3.75Å; Y15-Y22 AromaticContact CD2-CD1 3.79Å; Y15-Y22 HydrophobicContact CD2-CD1 3.79Å; Y15-Y22 AromaticContact CD2-CD2 3.77Å; Y15-Y22 HydrophobicContact CD2-CD2 3.77Å; Y15-Y22 AromaticContact CD2-CE1 3.5Å; Y15-Y22 HydrophobicContact CD2-CE1 3.5Å; Y15-Y22 VanDerWaalsContact CD2-CE1 3.5Å; Y15-Y22 AromaticContact CD2-CE2 3.45Å; Y15-Y22 HydrophobicContact CD2-CE2 3.45Å; Y15-Y22 VanDerWaalsContact CD2-CE2 3.45Å; Y15-Y22 AromaticContact CD2-CG 3.93Å; Y15-Y22 HydrophobicContact CD2-CG 3.93Å; Y15-Y22 AromaticContact CD2-CZ 3.31Å; Y15-Y22 HydrophobicContact CE2-CD2 4.14Å; Y15-Y22 HydrophobicContact CE2-CE1 4.4Å; Y15-Y22 AromaticContact CE2-CE2 3.62Å; Y15-Y22 HydrophobicContact CE2-CE2 3.62Å; Y15-Y22 AromaticContact CE2-CZ 3.77Å; Y15-Y22 HydrophobicContact CG-CD1 4.28Å; Y15-Y22 AromaticContact CG-CE1 3.85Å; Y15-Y22 HydrophobicContact CG-CE1 3.85Å; Y15-Y22 AromaticContact CG-CZ 3.97Å; Y15-K36 HydrophobicContact CE2-CB 4.35Å; Y15-K36 HydrophobicContact CE2-CD 4.45Å
16	D	94.3	Very high	95.2	Very high	57 Å²	57	73.4 Å²	73.4	31%	0.305	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115	171.3	-173.5	-103.4	0	0	109.5	S19 E20 T21 F23	D16-S19 VanDerWaalsContact OD1-CB 3.23Å; D16-S19 WeakPolarHBondContact OD1-CB 3.29Å; D16-S19 PolarHBondContact OD1-N 2.97Å; D16-E20 WeakPolarHBondContact O-CA 3.26Å; D16-E20 PolarHBondContact O-N 2.97Å; D16-T21 PolarHBondContact N-O 2.68Å; D16-T21 PolarHBondContact O-N 2.83Å; D16-T21 VanDerWaalsContact O-N 3.14Å; D16-F23 HydrophobicContact CB-CD2 3.95Å; D16-F23 HydrophobicContact CB-CE2 3.55Å
17	E	91.9	Very high	95.2	Very high	162 Å²	162	73.9 Å²	73.9	76%	0.757	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-30.1	-176.9	-63.7	-179.7	94.2	0	112.4	Y15	Y15-E17 HydrophobicContact CD1-CG 3.92Å; Y15-E17 HydrophobicContact CE1-CB 4.38Å; Y15-E17 HydrophobicContact CE1-CG 3.75Å
18	D	92.3	Very high	95.1	Very high	160 Å²	160	70.1 Å²	70.1	86%	0.856	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-39.7	-178.8	-72.3	-84.5	0	0	112.1
19	S	92.7	Very high	95	Very high	72 Å²	72	72.8 Å²	72.8	50%	0.503	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	1.4	178.9	-165.2	0	0	0	113.7	D16 T21	D16-S19 VanDerWaalsContact OD1-CB 3.23Å; D16-S19 WeakPolarHBondContact OD1-CB 3.29Å; D16-S19 PolarHBondContact OD1-N 2.97Å; S19-T21 PolarHBondContact O-N 3.28Å; S19-T21 VanDerWaalsContact O-N 3.15Å; S19-T21 PolarHBondContact O-OG1 2.86Å; S19-T21 PolarHBondContact OG-OG1 2.72Å
20	E	94	Very high	94.9	Very high	99 Å²	99	70 Å²	70	46%	0.463	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	44	45.6	-171.7	-62.1	-171.5	90.9	0	112.1	D16 K36	D16-E20 WeakPolarHBondContact O-CA 3.26Å; D16-E20 PolarHBondContact O-N 2.97Å; E20-K36 HydrophobicContact CB-CB 4.21Å; E20-K36 WeakPolarHBondContact O-CB 3.12Å; E20-K36 PolarHBondContact O-N 3.17Å; E20-K36 IonicContact OE1-NZ 3.3Å; E20-K36 PolarHBondContact OE1-NZ 2.97Å
21	T	95.7	Very high	94.9	Very high	9 Å²	9	72.9 Å²	72.9	6%	0.055	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.3	-170.7	-61.8	0	0	0	110.7	D16 S19 F23 I34	D16-T21 PolarHBondContact N-O 2.68Å; D16-T21 PolarHBondContact O-N 2.83Å; D16-T21 VanDerWaalsContact O-N 3.14Å; S19-T21 PolarHBondContact O-N 3.28Å; S19-T21 VanDerWaalsContact O-N 3.15Å; S19-T21 PolarHBondContact O-OG1 2.86Å; S19-T21 PolarHBondContact OG-OG1 2.72Å; T21-F23 HydrophobicContact CG2-CD1 4.33Å; T21-F23 HydrophobicContact CG2-CD2 4.32Å; T21-F23 HydrophobicContact CG2-CE1 3.78Å; T21-F23 HydrophobicContact CG2-CE2 3.77Å; T21-F23 HydrophobicContact CG2-CZ 3.47Å; T21-F23 VanDerWaalsContact CG2-CZ 3.47Å; T21-I34 WeakPolarHBondContact CG2-O 3.3Å
22	Y	96.5	Very high	95	Very high	33 Å²	33	65.7 Å²	65.7	13%	0.129	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.1	173.8	-68.4	-91.8	0	0	110	I10 F13 Q14 Y15 S33 I34 K36 L39 F64	I10-Y22 HydrophobicContact CD1-CD1 3.49Å; I10-Y22 VanDerWaalsContact CD1-CD1 3.49Å; I10-Y22 HydrophobicContact CD1-CD2 4.04Å; I10-Y22 HydrophobicContact CD1-CE1 3.87Å; I10-Y22 HydrophobicContact CD1-CE2 4.39Å; I10-Y22 HydrophobicContact CD1-CG 3.58Å; I10-Y22 HydrophobicContact CG1-CD1 4.11Å; I10-Y22 HydrophobicContact CG1-CE1 4.01Å; F13-Y22 HydrophobicContact CB-CD1 4.01Å; F13-Y22 HydrophobicContact CB-CG 4.46Å; Q14-Y22 CarbonylContact O-C 3.6Å; Q14-Y22 WeakPolarHBondContact O-CA 3.35Å; Y15-Y22 AromaticContact CD2-CD1 3.79Å; Y15-Y22 HydrophobicContact CD2-CD1 3.79Å; Y15-Y22 AromaticContact CD2-CD2 3.77Å; Y15-Y22 HydrophobicContact CD2-CD2 3.77Å; Y15-Y22 AromaticContact CD2-CE1 3.5Å; Y15-Y22 HydrophobicContact CD2-CE1 3.5Å; Y15-Y22 VanDerWaalsContact CD2-CE1 3.5Å; Y15-Y22 AromaticContact CD2-CE2 3.45Å; Y15-Y22 HydrophobicContact CD2-CE2 3.45Å; Y15-Y22 VanDerWaalsContact CD2-CE2 3.45Å; Y15-Y22 AromaticContact CD2-CG 3.93Å; Y15-Y22 HydrophobicContact CD2-CG 3.93Å; Y15-Y22 AromaticContact CD2-CZ 3.31Å; Y15-Y22 HydrophobicContact CE2-CD2 4.14Å; Y15-Y22 HydrophobicContact CE2-CE1 4.4Å; Y15-Y22 AromaticContact CE2-CE2 3.62Å; Y15-Y22 HydrophobicContact CE2-CE2 3.62Å; Y15-Y22 AromaticContact CE2-CZ 3.77Å; Y15-Y22 HydrophobicContact CG-CD1 4.28Å; Y15-Y22 AromaticContact CG-CE1 3.85Å; Y15-Y22 HydrophobicContact CG-CE1 3.85Å; Y15-Y22 AromaticContact CG-CZ 3.97Å; Y22-S33 WeakPolarHBondContact O-CA 3.26Å; Y22-I34 PolarHBondContact N-O 2.74Å; Y22-I34 PolarHBondContact O-N 3.46Å; Y22-K36 HydrophobicContact CE2-CB 4.12Å; Y22-K36 HydrophobicContact CE2-CG 4.44Å; Y22-L39 HydrophobicContact CD2-CD1 3.49Å; Y22-L39 VanDerWaalsContact CD2-CD1 3.49Å; Y22-L39 HydrophobicContact CE2-CD1 3.52Å; Y22-L39 HydrophobicContact CG-CD1 4.32Å; Y22-F64 AromaticContact CE2-CE1 3.84Å; Y22-F64 HydrophobicContact CE2-CE1 3.84Å; Y22-F64 HydrophobicContact CE2-CZ 4.26Å; Y22-F64 AromaticContact CZ-CE1 3.88Å; Y22-F64 AromaticContact CZ-CZ 3.98Å; Y22-F64 WeakPolarHBondContact OH-CE1 3.23Å
23	F	96.8	Very high	95.1	Very high	54 Å²	54	64 Å²	64	24%	0.237	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.7	-178.8	-64.9	-76.9	0	0	112.2	F13 Q14 D16 T21 N31 F32	F13-F23 WeakPolarHBondContact CA-O 3.44Å; Q14-F23 PolarHBondContact N-O 2.76Å; Q14-F23 PolarHBondContact O-N 3.5Å; D16-F23 HydrophobicContact CB-CD2 3.95Å; D16-F23 HydrophobicContact CB-CE2 3.55Å; T21-F23 HydrophobicContact CG2-CD1 4.33Å; T21-F23 HydrophobicContact CG2-CD2 4.32Å; T21-F23 HydrophobicContact CG2-CE1 3.78Å; T21-F23 HydrophobicContact CG2-CE2 3.77Å; T21-F23 HydrophobicContact CG2-CZ 3.47Å; T21-F23 VanDerWaalsContact CG2-CZ 3.47Å; F23-N31 HydrophobicContact CB-CB 4.18Å; F23-N31 HydrophobicContact CD1-CB 3.97Å; F23-F32 CarbonylContact C-O 3.58Å; F23-F32 VanDerWaalsContact CA-O 3.25Å; F23-F32 WeakPolarHBondContact CA-O 3.42Å
24	Y	96.6	Very high	95.1	Very high	54 Å²	54	64 Å²	64	21%	0.212	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.6	173.1	-165.1	-102.7	0	0	110.8	V8 D12 F13 C26 N31 F32 I55	V8-Y24 HydrophobicContact CG1-CD2 3.88Å; V8-Y24 HydrophobicContact CG1-CE1 4.27Å; V8-Y24 HydrophobicContact CG1-CE2 3.54Å; V8-Y24 HydrophobicContact CG1-CG 4.4Å; V8-Y24 HydrophobicContact CG2-CD1 4.49Å; V8-Y24 HydrophobicContact CG2-CE1 4.06Å; D12-Y24 HydrophobicContact CB-CE2 4.13Å; D12-Y24 WeakPolarHBondContact OD1-CE2 3.43Å; D12-Y24 PolarHBondContact OD1-OH 2.94Å; D12-Y24 VanDerWaalsContact OD1-OH 3.09Å; F13-Y24 HydrophobicContact CD2-CD2 4.08Å; F13-Y24 HydrophobicContact CE1-CG 4.42Å; F13-Y24 HydrophobicContact CE2-CD2 4.24Å; F13-Y24 HydrophobicContact CE2-CG 4.37Å; F13-Y24 HydrophobicContact CG-CD2 4.3Å; F13-Y24 HydrophobicContact CZ-CG 4.29Å; Y24-C26 PolarHBondContact O-N 2.8Å; Y24-N31 CarbonylContact O-C 3.58Å; Y24-N31 WeakPolarHBondContact O-CA 3.47Å; Y24-N31 WeakPolarHBondContact O-CB 3.4Å; Y24-F32 HydrophobicContact CD1-CD2 4.1Å; Y24-F32 PolarHBondContact N-O 3.12Å; Y24-F32 PolarHBondContact O-N 3.08Å; Y24-I55 HydrophobicContact CD1-CD1 3.82Å; Y24-I55 HydrophobicContact CG-CD1 4.09Å
25	P	96.1	Very high	95.1	Very high	84 Å²	84	63.2 Å²	63.2	55%	0.545	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	128.3	-178.8	24.7	-34.7	0	0	111.5
26	C	95.7	Very high	95	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.054	35%	0.354	C	S	.	.			trans	-96.6	139.7	173.7	-175.4	0	0	0	110.1	Y24 C28 G29 D30 F32 C48 C51	Y24-C26 PolarHBondContact O-N 2.8Å; C26-C28 PolarHBondContact O-N 3.19Å; C26-C28 PolarHBondContact SG-SG 3.46Å; C26-G29 PolarHBondContact O-N 2.89Å; C26-D30 WeakPolarHBondContact CA-O 3.38Å; C26-D30 WeakPolarHBondContact CB-O 2.86Å; C26-D30 PolarHBondContact N-O 2.87Å; C26-F32 HydrophobicContact CB-CD2 3.75Å; C26-F32 HydrophobicContact CB-CE2 3.55Å; C26-F32 HydrophobicContact CB-CG 4.39Å; C26-F32 HydrophobicContact CB-CZ 3.99Å; C26-F32 WeakPolarHBondContact SG-CZ 3.35Å; C26-C48 HydrophobicContact CB-CB 4.26Å; C26-C51 PolarHBondContact SG-SG 3.46Å
27	P	93.4	Very high	95	Very high	97 Å²	97	65.9 Å²	65.9	63%	0.63	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-13.7	178.1	23.6	-36.2	0	0	114.6	G29 L53	P27-G29 VanDerWaalsContact C-N 3.3Å; P27-L53 HydrophobicContact CG-CD1 4.4Å
28	C	94.4	Very high	95.2	Very high	58 Å²	58	61 Å²	61	39%	0.392	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.8	174.3	75.7	0	0	0	114.1	C26 C51	C26-C28 PolarHBondContact O-N 3.19Å; C26-C28 PolarHBondContact SG-SG 3.46Å; C28-C51 HydrophobicContact CB-CB 3.87Å; C28-C51 VanDerWaalsContact SG-SG 3.64Å
29	G	93.7	Very high	95.3	Very high	69 Å²	69	53.4 Å²	53.4	71%	0.711	31%	0.308	S	S	*	.	S	Bend	trans	103.6	-5	-177.8	0	0	0	0	115.4	C26 P27	C26-G29 PolarHBondContact O-N 2.89Å; P27-G29 VanDerWaalsContact C-N 3.3Å
30	D	95.8	Very high	95.3	Very high	70 Å²	70	53.4 Å²	53.4	37%	0.374	30%	0.3	S	S	.	.	S	Bend	trans	-97.4	-169.5	168.5	-72.6	-89.1	0	0	110.3	C26 S50	C26-D30 WeakPolarHBondContact CA-O 3.38Å; C26-D30 WeakPolarHBondContact CB-O 2.86Å; C26-D30 PolarHBondContact N-O 2.87Å; D30-S50 WeakPolarHBondContact OD2-CB 3.49Å; D30-S50 PolarHBondContact OD2-OG 2.62Å
31	N	95.7	Very high	95.3	Very high	75 Å²	75	54.4 Å²	54.4	40%	0.401	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.1	172.7	-62.6	-30.7	0	0	110.5	F23 Y24 P49	F23-N31 HydrophobicContact CB-CB 4.18Å; F23-N31 HydrophobicContact CD1-CB 3.97Å; Y24-N31 CarbonylContact O-C 3.58Å; Y24-N31 WeakPolarHBondContact O-CA 3.47Å; Y24-N31 WeakPolarHBondContact O-CB 3.4Å; N31-P49 WeakPolarHBondContact O-CD 3.32Å
32	F	97.2	Very high	95.2	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	144.3	154.8	-59.6	-82.8	0	0	108.8	F23 Y24 C26 A46 T47 C48 L53 I55	F23-F32 CarbonylContact C-O 3.58Å; F23-F32 VanDerWaalsContact CA-O 3.25Å; F23-F32 WeakPolarHBondContact CA-O 3.42Å; Y24-F32 HydrophobicContact CD1-CD2 4.1Å; Y24-F32 PolarHBondContact N-O 3.12Å; Y24-F32 PolarHBondContact O-N 3.08Å; C26-F32 HydrophobicContact CB-CD2 3.75Å; C26-F32 HydrophobicContact CB-CE2 3.55Å; C26-F32 HydrophobicContact CB-CG 4.39Å; C26-F32 HydrophobicContact CB-CZ 3.99Å; C26-F32 WeakPolarHBondContact SG-CZ 3.35Å; F32-A46 HydrophobicContact CB-CB 4.03Å; F32-T47 CarbonylContact C-O 3.56Å; F32-T47 WeakPolarHBondContact CA-O 3.21Å; F32-C48 HydrophobicContact CD1-CB 3.6Å; F32-C48 HydrophobicContact CE1-CB 3.69Å; F32-C48 HydrophobicContact CG-CB 4.27Å; F32-C48 HydrophobicContact CZ-CB 4.45Å; F32-L53 HydrophobicContact CE1-CB 3.63Å; F32-L53 WeakPolarHBondContact CE1-O 3.48Å; F32-L53 HydrophobicContact CZ-CB 3.91Å; F32-I55 HydrophobicContact CB-CD1 4.02Å; F32-I55 HydrophobicContact CB-CG1 4.3Å; F32-I55 HydrophobicContact CD1-CD1 4.42Å; F32-I55 HydrophobicContact CD1-CG1 4.1Å; F32-I55 HydrophobicContact CD1-CG2 4.38Å; F32-I55 HydrophobicContact CD2-CD1 3.78Å; F32-I55 HydrophobicContact CD2-CG1 4.32Å; F32-I55 HydrophobicContact CD2-CG2 4.41Å; F32-I55 HydrophobicContact CE1-CG2 3.98Å; F32-I55 HydrophobicContact CE2-CD1 4.33Å; F32-I55 HydrophobicContact CE2-CG2 3.97Å; F32-I55 HydrophobicContact CG-CD1 3.83Å; F32-I55 HydrophobicContact CG-CG1 4Å; F32-I55 HydrophobicContact CZ-CG2 3.77Å
33	S	96.5	Very high	95.1	Very high	36 Å²	36	58.3 Å²	58.3	25%	0.252	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.9	177.2	56	0	0	0	110.9	Y22 A46 T47	Y22-S33 WeakPolarHBondContact O-CA 3.26Å; S33-A46 WeakPolarHBondContact O-CA 3.32Å; S33-T47 PolarHBondContact N-O 3.36Å; S33-T47 PolarHBondContact O-N 3.24Å; S33-T47 VanDerWaalsContact O-N 3.08Å; S33-T47 PolarHBondContact OG-O 2.98Å
34	I	96.6	Very high	95	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	133.3	166.8	-173.4	164.8	0	0	108.3	F13 T21 Y22 D38 L39 A46 V57	F13-I34 HydrophobicContact CE1-CG2 4.29Å; T21-I34 WeakPolarHBondContact CG2-O 3.3Å; Y22-I34 PolarHBondContact N-O 2.74Å; Y22-I34 PolarHBondContact O-N 3.46Å; I34-D38 HydrophobicContact CD1-CB 4.35Å; I34-D38 HydrophobicContact CG1-CB 3.8Å; I34-L39 HydrophobicContact CD1-CD2 3.64Å; I34-L39 HydrophobicContact CD1-CG 4.09Å; I34-L39 HydrophobicContact CG1-CD2 4.29Å; I34-L39 HydrophobicContact CG1-CG 4.23Å; I34-A46 HydrophobicContact CB-CB 3.9Å; I34-A46 HydrophobicContact CG2-CB 4.08Å; I34-V57 HydrophobicContact CD1-CG2 4.1Å; I34-V57 HydrophobicContact CG2-CG2 4.23Å
35	T	95.7	Very high	95	Very high	46 Å²	46	57.1 Å²	57.1	28%	0.282	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	155.1	179.1	69.8	0	0	0	110.2	E37 D38 L39	T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 2.94Å; T35-D38 WeakPolarHBondContact CB-OD2 3.35Å; T35-D38 PolarHBondContact N-OD2 3.17Å; T35-D38 WeakPolarHBondContact O-CB 3.46Å; T35-D38 PolarHBondContact O-N 3.02Å; T35-D38 PolarHBondContact OG1-N 3.37Å; T35-D38 PolarHBondContact OG1-OD2 2.95Å; T35-L39 PolarHBondContact O-N 3.34Å
36	K	94.2	Very high	95	Very high	58 Å²	58	53.1 Å²	53.1	25%	0.252	31%	0.308	S	S	.	.	H	α-helix	trans	-58.5	-43.8	170.5	-177.6	-178.2	153.9	-154	110.2	Y15 E20 Y22 D38 L39 E40 F64	Y15-K36 HydrophobicContact CE2-CB 4.35Å; Y15-K36 HydrophobicContact CE2-CD 4.45Å; E20-K36 HydrophobicContact CB-CB 4.21Å; E20-K36 WeakPolarHBondContact O-CB 3.12Å; E20-K36 PolarHBondContact O-N 3.17Å; E20-K36 IonicContact OE1-NZ 3.3Å; E20-K36 PolarHBondContact OE1-NZ 2.97Å; Y22-K36 HydrophobicContact CE2-CB 4.12Å; Y22-K36 HydrophobicContact CE2-CG 4.44Å; K36-D38 VanDerWaalsContact C-N 3.26Å; K36-D38 PolarHBondContact O-N 3.44Å; K36-L39 WeakPolarHBondContact O-CA 3.5Å; K36-L39 WeakPolarHBondContact O-CB 3.19Å; K36-L39 PolarHBondContact O-N 3.09Å; K36-E40 HydrophobicContact CG-CG 4.31Å; K36-E40 VanDerWaalsContact O-CG 3.31Å; K36-E40 WeakPolarHBondContact O-CG 3.25Å; K36-E40 PolarHBondContact O-N 2.82Å; K36-F64 HydrophobicContact CG-CD1 4.13Å; K36-F64 HydrophobicContact CG-CE1 4.23Å
37	E	93.9	Very high	95	Very high	133 Å²	133	55.9 Å²	55.9	62%	0.621	32%	0.324	S	S	*	.	H	α-helix	trans	-53.9	-42.9	175.9	-177.6	177.6	93.2	0	111.7	T35 L39 E40 N41	T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 2.94Å; E37-L39 PolarHBondContact O-N 2.73Å; E37-E40 PolarHBondContact O-N 2.79Å; E37-N41 WeakPolarHBondContact CG-ND2 3.15Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 2.82Å
38	D	95.2	Very high	95.2	Very high	60 Å²	60	51.4 Å²	51.4	32%	0.321	30%	0.295	S	S	.	.	H	α-helix	trans	-59	-46.7	175.5	-68.2	-48.3	0	0	111.4	I34 T35 K36 E40 N41 G42 E43	I34-D38 HydrophobicContact CD1-CB 4.35Å; I34-D38 HydrophobicContact CG1-CB 3.8Å; T35-D38 WeakPolarHBondContact CB-OD2 3.35Å; T35-D38 PolarHBondContact N-OD2 3.17Å; T35-D38 WeakPolarHBondContact O-CB 3.46Å; T35-D38 PolarHBondContact O-N 3.02Å; T35-D38 PolarHBondContact OG1-N 3.37Å; T35-D38 PolarHBondContact OG1-OD2 2.95Å; K36-D38 VanDerWaalsContact C-N 3.26Å; K36-D38 PolarHBondContact O-N 3.44Å; D38-E40 VanDerWaalsContact C-N 3.34Å; D38-E40 PolarHBondContact O-N 3.13Å; D38-N41 CarbonylContact O-C 3.52Å; D38-N41 PolarHBondContact O-N 3.09Å; D38-N41 VanDerWaalsContact O-N 3.13Å; D38-G42 PolarHBondContact O-N 3Å; D38-E43 HydrophobicContact CB-CB 3.95Å; D38-E43 HydrophobicContact CB-CG 4.3Å; D38-E43 VanDerWaalsContact O-CB 3.3Å; D38-E43 WeakPolarHBondContact O-CB 3.42Å; D38-E43 PolarHBondContact O-N 3.29Å
39	L	94.7	Very high	95.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-41.6	177.2	-64.2	169.3	0	0	111.8	I10 Y22 I34 T35 K36 E37 N41 G42 V57 Y59 F64	I10-L39 HydrophobicContact CD1-CD1 3.69Å; I10-L39 HydrophobicContact CG1-CD1 4.32Å; Y22-L39 HydrophobicContact CD2-CD1 3.49Å; Y22-L39 VanDerWaalsContact CD2-CD1 3.49Å; Y22-L39 HydrophobicContact CE2-CD1 3.52Å; Y22-L39 HydrophobicContact CG-CD1 4.32Å; I34-L39 HydrophobicContact CD1-CD2 3.64Å; I34-L39 HydrophobicContact CD1-CG 4.09Å; I34-L39 HydrophobicContact CG1-CD2 4.29Å; I34-L39 HydrophobicContact CG1-CG 4.23Å; T35-L39 PolarHBondContact O-N 3.34Å; K36-L39 WeakPolarHBondContact O-CA 3.5Å; K36-L39 WeakPolarHBondContact O-CB 3.19Å; K36-L39 PolarHBondContact O-N 3.09Å; E37-L39 PolarHBondContact O-N 2.73Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 2.96Å; L39-G42 PolarHBondContact O-N 3.42Å; L39-V57 HydrophobicContact CD2-CG1 4.17Å; L39-Y59 HydrophobicContact CB-CD2 4.45Å; L39-Y59 HydrophobicContact CB-CE2 3.98Å; L39-Y59 HydrophobicContact CD2-CD1 3.65Å; L39-Y59 HydrophobicContact CD2-CD2 4.16Å; L39-Y59 HydrophobicContact CD2-CE1 3.6Å; L39-Y59 HydrophobicContact CD2-CE2 4.09Å; L39-Y59 HydrophobicContact CD2-CG 3.93Å; L39-Y59 WeakPolarHBondContact O-CE2 3.37Å; L39-Y59 PolarHBondContact O-OH 3.02Å; L39-F64 HydrophobicContact CB-CD1 3.83Å; L39-F64 HydrophobicContact CB-CE1 4.14Å; L39-F64 HydrophobicContact CB-CG 4.08Å; L39-F64 HydrophobicContact CD1-CD1 4.19Å; L39-F64 HydrophobicContact CD1-CE1 3.62Å; L39-F64 HydrophobicContact CD1-CE2 4.5Å; L39-F64 HydrophobicContact CD1-CZ 3.79Å
40	E	93	Very high	95.2	Very high	72 Å²	72	53.5 Å²	53.5	34%	0.336	30%	0.297	S	S	.	.	H	α-helix	trans	-62.8	-35.1	175.7	-60.1	-178.4	84	0	111.6	K36 E37 D38 G42 F64	K36-E40 HydrophobicContact CG-CG 4.31Å; K36-E40 VanDerWaalsContact O-CG 3.31Å; K36-E40 WeakPolarHBondContact O-CG 3.25Å; K36-E40 PolarHBondContact O-N 2.82Å; E37-E40 PolarHBondContact O-N 2.79Å; D38-E40 VanDerWaalsContact C-N 3.34Å; D38-E40 PolarHBondContact O-N 3.13Å; E40-G42 PolarHBondContact O-N 3.16Å; E40-F64 HydrophobicContact CG-CB 4.08Å; E40-F64 HydrophobicContact CG-CD1 4.44Å; E40-F64 WeakPolarHBondContact CG-O 3.42Å
41	N	93.6	Very high	95	Very high	120 Å²	120	52.4 Å²	52.4	64%	0.642	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-4.6	174.4	-77.4	-75.9	0	0	113.6	E37 D38 L39	E37-N41 WeakPolarHBondContact CG-ND2 3.15Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 2.82Å; D38-N41 CarbonylContact O-C 3.52Å; D38-N41 PolarHBondContact O-N 3.09Å; D38-N41 VanDerWaalsContact O-N 3.13Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 2.96Å
42	G	93	Very high	94.6	Very high	19 Å²	19	53.6 Å²	53.6	20%	0.196	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	7.9	177.4	0	0	0	0	114.8	D38 L39 E40 Y59 K61	D38-G42 PolarHBondContact O-N 3Å; L39-G42 PolarHBondContact O-N 3.42Å; E40-G42 PolarHBondContact O-N 3.16Å; G42-Y59 WeakPolarHBondContact CA-OH 3.47Å; G42-Y59 PolarHBondContact O-OH 3.46Å; G42-K61 PolarHBondContact O-NZ 2.93Å
43	E	95.3	Very high	94.5	Very high	104 Å²	104	56.6 Å²	56.6	49%	0.486	33%	0.325	S	S	.	.			trans	-74.1	139.4	175.8	-65.9	-70.1	100.8	0	110.7	D38 Y59	D38-E43 HydrophobicContact CB-CB 3.95Å; D38-E43 HydrophobicContact CB-CG 4.3Å; D38-E43 VanDerWaalsContact O-CB 3.3Å; D38-E43 WeakPolarHBondContact O-CB 3.42Å; D38-E43 PolarHBondContact O-N 3.29Å; E43-Y59 VanDerWaalsContact O-CE1 3.26Å; E43-Y59 WeakPolarHBondContact O-CE1 3.21Å; E43-Y59 PolarHBondContact O-OH 2.76Å; E43-Y59 VanDerWaalsContact O-OH 3.12Å
44	D	95.3	Very high	94.5	Very high	37 Å²	37	56.8 Å²	56.8	20%	0.198	32%	0.322	C	S	.	.			trans	-126.6	24.5	-178.2	58.6	-99.2	0	0	112.4	K56 V57 Y59	D44-K56 CarbonylContact O-C 3.55Å; D44-K56 WeakPolarHBondContact O-CA 3.45Å; D44-K56 IonicContact OD1-NZ 3.92Å; D44-K56 WeakPolarHBondContact OD2-CG 3.43Å; D44-K56 IonicContact OD2-NZ 2.68Å; D44-K56 PolarHBondContact OD2-NZ 2.91Å; D44-V57 PolarHBondContact O-N 3.27Å; D44-Y59 HydrophobicContact CB-CD1 4.42Å; D44-Y59 HydrophobicContact CB-CE1 3.85Å
45	V	96.3	Very high	94.4	Very high	46 Å²	46	56.6 Å²	56.6	28%	0.279	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	106.2	-173.9	-173.3	0	0	0	110.8	F4 T47 I54	F4-V45 HydrophobicContact CE1-CG1 4.22Å; F4-V45 HydrophobicContact CE1-CG2 3.92Å; F4-V45 HydrophobicContact CZ-CG2 4.3Å; V45-T47 HydrophobicContact CG1-CG2 4.24Å; V45-I54 HydrophobicContact CG1-CB 3.91Å; V45-I54 HydrophobicContact CG1-CD1 4.34Å; V45-I54 HydrophobicContact CG1-CG2 4.17Å
46	A	96.5	Very high	94.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.3	170.2	0	0	0	0	110	F13 F32 S33 I34 I54 I55 V57	F13-A46 HydrophobicContact CE1-CB 3.84Å; F13-A46 HydrophobicContact CZ-CB 4.1Å; F32-A46 HydrophobicContact CB-CB 4.03Å; S33-A46 WeakPolarHBondContact O-CA 3.32Å; I34-A46 HydrophobicContact CB-CB 3.9Å; I34-A46 HydrophobicContact CG2-CB 4.08Å; A46-I54 VanDerWaalsContact O-CA 3.29Å; A46-I54 WeakPolarHBondContact O-CA 3.45Å; A46-I55 HydrophobicContact CB-CD1 4.32Å; A46-I55 HydrophobicContact CB-CG1 3.82Å; A46-I55 PolarHBondContact N-O 3.26Å; A46-I55 PolarHBondContact O-N 3.24Å; A46-V57 HydrophobicContact CB-CG2 3.71Å
47	T	95.9	Very high	94.6	Very high	66 Å²	66	54.5 Å²	54.5	41%	0.405	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	142.2	-173.4	68	0	0	0	111	F32 S33 V45 I54	F32-T47 CarbonylContact C-O 3.56Å; F32-T47 WeakPolarHBondContact CA-O 3.21Å; S33-T47 PolarHBondContact N-O 3.36Å; S33-T47 PolarHBondContact O-N 3.24Å; S33-T47 VanDerWaalsContact O-N 3.08Å; S33-T47 PolarHBondContact OG-O 2.98Å; V45-T47 HydrophobicContact CG1-CG2 4.24Å; T47-I54 HydrophobicContact CG2-CG2 3.82Å
48	C	96.3	Very high	94.8	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.02	30%	0.296	C	S	.	.			trans	-95.6	121.8	172.4	-179.6	0	0	0	109.6	C26 F32 S50 S52 L53	C26-C48 HydrophobicContact CB-CB 4.26Å; F32-C48 HydrophobicContact CD1-CB 3.6Å; F32-C48 HydrophobicContact CE1-CB 3.69Å; F32-C48 HydrophobicContact CG-CB 4.27Å; F32-C48 HydrophobicContact CZ-CB 4.45Å; C48-S50 PolarHBondContact O-N 3.19Å; C48-S52 VanDerWaalsContact O-CA 3.26Å; C48-S52 WeakPolarHBondContact O-CA 3.47Å; C48-S52 PolarHBondContact O-N 2.99Å; C48-L53 PolarHBondContact N-O 3.04Å
49	P	94.2	Very high	94.8	Very high	100 Å²	100	50 Å²	50	65%	0.649	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.8	-177.5	26.9	-34.5	0	0	113.6	N31	N31-P49 WeakPolarHBondContact O-CD 3.32Å
50	S	94.1	Very high	94.7	Very high	71 Å²	71	53.8 Å²	53.8	50%	0.497	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-50.5	-172.4	-176.8	0	0	0	113.3	D30 C48	D30-S50 WeakPolarHBondContact OD2-CB 3.49Å; D30-S50 PolarHBondContact OD2-OG 2.62Å; C48-S50 PolarHBondContact O-N 3.19Å
51	C	92.7	Very high	94.5	Very high	48 Å²	48	55.3 Å²	55.3	32%	0.324	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-2.7	-178.7	63.6	0	0	0	113.9	C26 C28 L53	C26-C51 PolarHBondContact SG-SG 3.46Å; C28-C51 HydrophobicContact CB-CB 3.87Å; C28-C51 VanDerWaalsContact SG-SG 3.64Å; C51-L53 HydrophobicContact CB-CG 4.35Å; C51-L53 PolarHBondContact O-N 3.24Å; C51-L53 VanDerWaalsContact SG-CG 3.52Å
52	S	87.6	Confident	94.3	Very high	99 Å²	99	55.8 Å²	55.8	69%	0.692	32%	0.315	S	S	*	.			trans	57.8	14.7	-177.3	-48.1	0	0	0	114.6	C48	C48-S52 VanDerWaalsContact O-CA 3.26Å; C48-S52 WeakPolarHBondContact O-CA 3.47Å; C48-S52 PolarHBondContact O-N 2.99Å
53	L	94.1	Very high	93.9	Very high	65 Å²	65	59.9 Å²	59.9	34%	0.34	33%	0.329	S	S	.	.			trans	-63.9	154.7	167.6	-68.9	178.8	0	0	109.3	P27 F32 C48 C51	P27-L53 HydrophobicContact CG-CD1 4.4Å; F32-L53 HydrophobicContact CE1-CB 3.63Å; F32-L53 WeakPolarHBondContact CE1-O 3.48Å; F32-L53 HydrophobicContact CZ-CB 3.91Å; C48-L53 PolarHBondContact N-O 3.04Å; C51-L53 HydrophobicContact CB-CG 4.35Å; C51-L53 PolarHBondContact O-N 3.24Å; C51-L53 VanDerWaalsContact SG-CG 3.52Å
54	I	95.8	Very high	93.4	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.205	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.4	176.3	62.5	177.4	0	0	109.6	A2 F4 H5 V45 A46 T47	A2-I54 HydrophobicContact CB-CD1 3.94Å; F4-I54 HydrophobicContact CD1-CD1 4.12Å; F4-I54 HydrophobicContact CD1-CG1 4.07Å; F4-I54 HydrophobicContact CE1-CD1 4.12Å; F4-I54 HydrophobicContact CE1-CG1 4.49Å; H5-I54 WeakPolarHBondContact CB-O 3.42Å; H5-I54 PolarHBondContact N-O 2.85Å; V45-I54 HydrophobicContact CG1-CB 3.91Å; V45-I54 HydrophobicContact CG1-CD1 4.34Å; V45-I54 HydrophobicContact CG1-CG2 4.17Å; A46-I54 VanDerWaalsContact O-CA 3.29Å; A46-I54 WeakPolarHBondContact O-CA 3.45Å; T47-I54 HydrophobicContact CG2-CG2 3.82Å
55	I	96	Very high	92.7	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.8	171.5	58.4	176.7	0	0	109.1	H5 D6 V8 F13 Y24 F32 A46	H5-I55 HydrophobicContact CB-CG2 3.95Å; D6-I55 HydrophobicContact CB-CG2 4.16Å; D6-I55 WeakPolarHBondContact O-CA 3.29Å; D6-I55 WeakPolarHBondContact O-CB 3.43Å; V8-I55 HydrophobicContact CB-CD1 4.37Å; V8-I55 HydrophobicContact CG2-CD1 4.09Å; F13-I55 HydrophobicContact CE1-CD1 4.19Å; F13-I55 HydrophobicContact CE2-CD1 4.31Å; F13-I55 HydrophobicContact CZ-CD1 3.5Å; F13-I55 VanDerWaalsContact CZ-CD1 3.5Å; F13-I55 HydrophobicContact CZ-CG1 4.29Å; Y24-I55 HydrophobicContact CD1-CD1 3.82Å; Y24-I55 HydrophobicContact CG-CD1 4.09Å; F32-I55 HydrophobicContact CB-CD1 4.02Å; F32-I55 HydrophobicContact CB-CG1 4.3Å; F32-I55 HydrophobicContact CD1-CD1 4.42Å; F32-I55 HydrophobicContact CD1-CG1 4.1Å; F32-I55 HydrophobicContact CD1-CG2 4.38Å; F32-I55 HydrophobicContact CD2-CD1 3.78Å; F32-I55 HydrophobicContact CD2-CG1 4.32Å; F32-I55 HydrophobicContact CD2-CG2 4.41Å; F32-I55 HydrophobicContact CE1-CG2 3.98Å; F32-I55 HydrophobicContact CE2-CD1 4.33Å; F32-I55 HydrophobicContact CE2-CG2 3.97Å; F32-I55 HydrophobicContact CG-CD1 3.83Å; F32-I55 HydrophobicContact CG-CG1 4Å; F32-I55 HydrophobicContact CZ-CG2 3.77Å; A46-I55 HydrophobicContact CB-CD1 4.32Å; A46-I55 HydrophobicContact CB-CG1 3.82Å; A46-I55 PolarHBondContact N-O 3.26Å; A46-I55 PolarHBondContact O-N 3.24Å
56	K	96.9	Very high	91.2	Very high	56 Å²	56	61.7 Å²	61.7	24%	0.243	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.6	173.6	-169.3	175.8	171.8	72.8	109	F4 D6 E7 V8 D44 I58	F4-K56 HydrophobicContact CB-CB 4.47Å; F4-K56 HydrophobicContact CD1-CB 3.85Å; F4-K56 HydrophobicContact CD2-CB 4.36Å; F4-K56 HydrophobicContact CE1-CB 4.12Å; F4-K56 HydrophobicContact CE2-CD 4.42Å; F4-K56 HydrophobicContact CG-CB 3.97Å; F4-K56 HydrophobicContact CZ-CB 4.5Å; D6-K56 PolarHBondContact O-N 3.47Å; E7-K56 CarbonylContact C-O 3.58Å; E7-K56 WeakPolarHBondContact CA-O 3.46Å; E7-K56 HydrophobicContact CB-CB 4.43Å; E7-K56 HydrophobicContact CG-CB 4.03Å; E7-K56 HydrophobicContact CG-CD 4.3Å; E7-K56 WeakPolarHBondContact OE1-CD 3.34Å; V8-K56 PolarHBondContact N-O 3.34Å; D44-K56 CarbonylContact O-C 3.55Å; D44-K56 WeakPolarHBondContact O-CA 3.45Å; D44-K56 IonicContact OD1-NZ 3.92Å; D44-K56 WeakPolarHBondContact OD2-CG 3.43Å; D44-K56 IonicContact OD2-NZ 2.68Å; D44-K56 PolarHBondContact OD2-NZ 2.91Å; K56-I58 HydrophobicContact CD-CD1 4.31Å; K56-I58 HydrophobicContact CG-CD1 4.27Å
57	V	97.2	Very high	89.5	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.018	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.2	179.2	-170.7	0	0	0	108.3	V8 I10 F13 I34 L39 D44 A46 Y59	V8-V57 CarbonylContact O-C 3.56Å; V8-V57 WeakPolarHBondContact O-CA 3.31Å; I10-V57 HydrophobicContact CB-CG1 4.09Å; I10-V57 HydrophobicContact CD1-CG1 3.8Å; I10-V57 HydrophobicContact CG1-CG1 4.48Å; F13-V57 HydrophobicContact CE1-CG2 4.33Å; F13-V57 HydrophobicContact CE2-CG1 4.13Å; F13-V57 HydrophobicContact CE2-CG2 4.36Å; F13-V57 HydrophobicContact CZ-CG1 4.28Å; F13-V57 HydrophobicContact CZ-CG2 3.75Å; I34-V57 HydrophobicContact CD1-CG2 4.1Å; I34-V57 HydrophobicContact CG2-CG2 4.23Å; L39-V57 HydrophobicContact CD2-CG1 4.17Å; D44-V57 PolarHBondContact O-N 3.27Å; A46-V57 HydrophobicContact CB-CG2 3.71Å; V57-Y59 HydrophobicContact CG1-CD1 4.34Å
58	I	97.2	Very high	87.3	Confident	69 Å²	69	69.3 Å²	69.3	35%	0.354	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	109.9	174.9	-52.2	-55.9	0	0	107.5	E7 V8 E9 I10 K56	E7-I58 HydrophobicContact CB-CD1 4.25Å; E7-I58 HydrophobicContact CB-CG1 4.2Å; V8-I58 PolarHBondContact O-N 3.02Å; E9-I58 CarbonylContact C-O 3.42Å; E9-I58 WeakPolarHBondContact CA-O 3.46Å; E9-I58 HydrophobicContact CG-CB 4.29Å; I10-I58 PolarHBondContact N-O 3.43Å; K56-I58 HydrophobicContact CD-CD1 4.31Å; K56-I58 HydrophobicContact CG-CD1 4.27Å
59	Y	95.4	Very high	85	Confident	29 Å²	29	75.8 Å²	75.8	11%	0.114	43%	0.433	C	S	.	.			trans	-143.7	157.3	-179.7	75.9	-78.4	0	0	110.8	L39 G42 E43 D44 V57 K61 F64	L39-Y59 HydrophobicContact CB-CD2 4.45Å; L39-Y59 HydrophobicContact CB-CE2 3.98Å; L39-Y59 HydrophobicContact CD2-CD1 3.65Å; L39-Y59 HydrophobicContact CD2-CD2 4.16Å; L39-Y59 HydrophobicContact CD2-CE1 3.6Å; L39-Y59 HydrophobicContact CD2-CE2 4.09Å; L39-Y59 HydrophobicContact CD2-CG 3.93Å; L39-Y59 WeakPolarHBondContact O-CE2 3.37Å; L39-Y59 PolarHBondContact O-OH 3.02Å; G42-Y59 WeakPolarHBondContact CA-OH 3.47Å; G42-Y59 PolarHBondContact O-OH 3.46Å; E43-Y59 VanDerWaalsContact O-CE1 3.26Å; E43-Y59 WeakPolarHBondContact O-CE1 3.21Å; E43-Y59 PolarHBondContact O-OH 2.76Å; E43-Y59 VanDerWaalsContact O-OH 3.12Å; D44-Y59 HydrophobicContact CB-CD1 4.42Å; D44-Y59 HydrophobicContact CB-CE1 3.85Å; V57-Y59 HydrophobicContact CG1-CD1 4.34Å; Y59-K61 HydrophobicContact CD2-CG 4.43Å; Y59-K61 HydrophobicContact CE2-CB 4.37Å; Y59-K61 HydrophobicContact CE2-CG 3.75Å; Y59-F64 AromaticContact CD2-CD2 3.53Å; Y59-F64 HydrophobicContact CD2-CD2 3.53Å; Y59-F64 AromaticContact CD2-CE2 3.82Å; Y59-F64 HydrophobicContact CD2-CE2 3.82Å; Y59-F64 HydrophobicContact CD2-CG 4.32Å; Y59-F64 HydrophobicContact CE2-CB 4.49Å; Y59-F64 HydrophobicContact CE2-CD2 4.02Å; Y59-F64 HydrophobicContact CE2-CG 4.41Å; Y59-F64 HydrophobicContact CG-CE2 4.48Å
60	D	93.3	Very high	83.1	Confident	81 Å²	81	76.1 Å²	76.1	43%	0.433	43%	0.433	S	S	.	.			trans	-88.2	118.1	173.7	-173.7	-78.8	0	0	109.3	D62 Q63 F64	D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 3.14Å; D60-D62 WeakPolarHBondContact OD1-CA 3.44Å; D60-D62 VanDerWaalsContact OD1-CB 3.29Å; D60-D62 WeakPolarHBondContact OD1-CB 3.47Å; D60-D62 PolarHBondContact OD1-N 3.15Å; D60-Q63 HydrophobicContact CB-CG 4.02Å; D60-Q63 WeakPolarHBondContact O-CB 3.38Å; D60-Q63 PolarHBondContact O-N 3.31Å; D60-Q63 VanDerWaalsContact O-N 3.16Å; D60-Q63 PolarHBondContact OD1-N 2.77Å; D60-F64 WeakPolarHBondContact O-CD2 3.36Å
61	K	88.8	Confident	81.1	Confident	105 Å²	105	78.4 Å²	78.4	46%	0.457	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-65.2	-31.9	-175.8	-65	-170.5	176	-165.9	112.1	G42 Y59 Q63 F64 V65	G42-K61 PolarHBondContact O-NZ 2.93Å; Y59-K61 HydrophobicContact CD2-CG 4.43Å; Y59-K61 HydrophobicContact CE2-CB 4.37Å; Y59-K61 HydrophobicContact CE2-CG 3.75Å; K61-Q63 PolarHBondContact O-N 2.78Å; K61-F64 CarbonylContact O-C 3.56Å; K61-F64 PolarHBondContact O-N 2.74Å; K61-V65 WeakPolarHBondContact O-CG1 3.22Å; K61-V65 PolarHBondContact O-N 3.03Å
62	D	88.2	Confident	79.2	Confident	130 Å²	130	80.6 Å²	80.6	70%	0.695	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.4	178.1	-81.7	-102	0	0	112.1	D60 F64 V65	D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 3.14Å; D60-D62 WeakPolarHBondContact OD1-CA 3.44Å; D60-D62 VanDerWaalsContact OD1-CB 3.29Å; D60-D62 WeakPolarHBondContact OD1-CB 3.47Å; D60-D62 PolarHBondContact OD1-N 3.15Å; D62-F64 PolarHBondContact O-N 3.06Å; D62-V65 WeakPolarHBondContact O-CG2 3.47Å
63	Q	84.7	Confident	77.6	Confident	104 Å²	104	80.8 Å²	80.8	49%	0.486	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-71.2	-19.6	171.7	-66	-168.4	78.2	0	113.6	D60 K61	D60-Q63 HydrophobicContact CB-CG 4.02Å; D60-Q63 WeakPolarHBondContact O-CB 3.38Å; D60-Q63 PolarHBondContact O-N 3.31Å; D60-Q63 VanDerWaalsContact O-N 3.16Å; D60-Q63 PolarHBondContact OD1-N 2.77Å; K61-Q63 PolarHBondContact O-N 2.78Å
64	F	86.1	Confident	75.3	Confident	21 Å²	21	82.8 Å²	82.8	9%	0.092	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-4.7	-176.5	-67.5	-93.7	0	0	113.1	I10 Y22 K36 L39 E40 Y59 D60 K61 D62 C66	I10-F64 HydrophobicContact CG1-CE2 4.48Å; I10-F64 HydrophobicContact CG1-CZ 4.07Å; Y22-F64 AromaticContact CE2-CE1 3.84Å; Y22-F64 HydrophobicContact CE2-CE1 3.84Å; Y22-F64 HydrophobicContact CE2-CZ 4.26Å; Y22-F64 AromaticContact CZ-CE1 3.88Å; Y22-F64 AromaticContact CZ-CZ 3.98Å; Y22-F64 WeakPolarHBondContact OH-CE1 3.23Å; K36-F64 HydrophobicContact CG-CD1 4.13Å; K36-F64 HydrophobicContact CG-CE1 4.23Å; L39-F64 HydrophobicContact CB-CD1 3.83Å; L39-F64 HydrophobicContact CB-CE1 4.14Å; L39-F64 HydrophobicContact CB-CG 4.08Å; L39-F64 HydrophobicContact CD1-CD1 4.19Å; L39-F64 HydrophobicContact CD1-CE1 3.62Å; L39-F64 HydrophobicContact CD1-CE2 4.5Å; L39-F64 HydrophobicContact CD1-CZ 3.79Å; E40-F64 HydrophobicContact CG-CB 4.08Å; E40-F64 HydrophobicContact CG-CD1 4.44Å; E40-F64 WeakPolarHBondContact CG-O 3.42Å; Y59-F64 AromaticContact CD2-CD2 3.53Å; Y59-F64 HydrophobicContact CD2-CD2 3.53Å; Y59-F64 AromaticContact CD2-CE2 3.82Å; Y59-F64 HydrophobicContact CD2-CE2 3.82Å; Y59-F64 HydrophobicContact CD2-CG 4.32Å; Y59-F64 HydrophobicContact CE2-CB 4.49Å; Y59-F64 HydrophobicContact CE2-CD2 4.02Å; Y59-F64 HydrophobicContact CE2-CG 4.41Å; Y59-F64 HydrophobicContact CG-CE2 4.48Å; D60-F64 WeakPolarHBondContact O-CD2 3.36Å; K61-F64 CarbonylContact O-C 3.56Å; K61-F64 PolarHBondContact O-N 2.74Å; D62-F64 PolarHBondContact O-N 3.06Å; F64-C66 PolarHBondContact O-N 3.18Å
65	V	79.2	Confident	73	Confident	75 Å²	75	86 Å²	86	46%	0.455	52%	0.519	S	S	.	.	S	Bend	trans	-69	135.7	172.5	-66.1	0	0	0	110.2	K61 D62 G67	K61-V65 WeakPolarHBondContact O-CG1 3.22Å; K61-V65 PolarHBondContact O-N 3.03Å; D62-V65 WeakPolarHBondContact O-CG2 3.47Å; V65-G67 PolarHBondContact O-N 3.15Å
66	C	66.2	Low	70.6	Confident	130 Å²	130	89.3 Å²	89.3	88%	0.878	54%	0.537	S	S	*	.	S	Bend	trans	-65.9	20.5	-175.1	-155.9	0	0	0	115.1	F64	F64-C66 PolarHBondContact O-N 3.18Å
67	G	59.6	Low	68.2	Low	45 Å²	45	92.4 Å²	92.4	46%	0.464	55%	0.55	S	S	.	.	S	Bend	trans	-113.7	109.3	-178.6	0	0	0	0	111.8	V65	V65-G67 PolarHBondContact O-N 3.15Å
68	E	49.9	Very low	65.6	Low	180 Å²	180	101.2 Å²	101.2	84%	0.841	59%	0.591	S	S	*	*	S	Bend	trans	75.8	86.1	158.4	-58.2	177.2	82.5	0	116.9
69	T	48.4	Very low	63.4	Low	140 Å²	140	103.7 Å²	103.7	86%	0.859	60%	0.604	S	S	*	*			trans	40.3	89.1	143.7	48.2	0	0	0	117.1
70	V	54.8	Low	60.9	Low	106 Å²	106	107.7 Å²	107.7	64%	0.642	63%	0.632	S	S	*	*			trans	-125	126.4	154.2	-79.5	0	0	0	110.3	A72	V70-A72 PolarHBondContact O-N 2.87Å
71	P	51	Low	58.7	Low	120 Å²	120	112.3 Å²	112.3	78%	0.779	65%	0.648	S	S	*	*			trans	-70.5	130.5	-177.2	29	-31.7	0	0	109.5
72	A	53.1	Low	56.8	Low	93 Å²	93	116.4 Å²	116.4	77%	0.769	69%	0.687	S	S	*	*			trans	-29.7	116.2	178.5	0	0	0	0	113.7	V70 S74	V70-A72 PolarHBondContact O-N 2.87Å; A72-S74 PolarHBondContact O-N 2.87Å; A72-S74 VanDerWaalsContact O-N 3.15Å
73	P	53.1	Low	55.2	Low	103 Å²	103	115.7 Å²	115.7	67%	0.669	69%	0.687	S	S	*	*			trans	-71.7	110.1	173.2	25.7	-28.4	0	0	110
74	S	46.6	Very low	53.7	Low	107 Å²	107	116.3 Å²	116.3	75%	0.748	70%	0.697	S	S	*	*			trans	45.6	95.6	135.5	-43.8	0	0	0	118.8	A72	A72-S74 PolarHBondContact O-N 2.87Å; A72-S74 VanDerWaalsContact O-N 3.15Å
75	A	46.4	Very low	51.9	Low	108 Å²	108	121.6 Å²	121.6	89%	0.893	73%	0.731	S	S	*	*			trans	-13.5	127.8	150.1	0	0	0	0	117.4
76	N	45.4	Very low	50.3	Low	71 Å²	71	124.4 Å²	124.4	38%	0.38	75%	0.747	S	S	.	*			trans	-144.7	128.7	152.4	58.2	-30	0	0	113.2
77	K	46.7	Very low	49.3	Very low	120 Å²	120	124 Å²	124	52%	0.522	74%	0.739	S	S	.	*			trans	65	81.5	149.7	68.4	-164.6	170.8	-174.3	118.8	D12 Q14 L79	D12-K77 IonicContact OD2-NZ 3.6Å; Q14-K77 PolarHBondContact NE2-O 2.95Å; K77-L79 PolarHBondContact O-N 3.49Å
78	E	44.4	Very low	48.6	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.883	76%	0.757	S	S	*	*				27	81.9	115.5	-163.2	164.5	99.2	0	115	V80	E78-V80 VanDerWaalsContact C-N 3.35Å; E78-V80 PolarHBondContact O-N 3.3Å
79	L	50.8	Low	48.5	Very low	120 Å²	120	125.6 Å²	125.6	63%	0.628	75%	0.751	S	S	*	*			trans	-73.6	96.3	161.4	-170.1	76	0	0	107.4	K77 K81	K77-L79 PolarHBondContact O-N 3.49Å; L79-K81 PolarHBondContact O-N 3Å
80	V	41.7	Very low	48.5	Very low	114 Å²	114	124.5 Å²	124.5	69%	0.691	74%	0.743	S	S	*	*			trans	-58.8	104.3	169.7	58	0	0	0	109.1	E78	E78-V80 VanDerWaalsContact C-N 3.35Å; E78-V80 PolarHBondContact O-N 3.3Å
81	K	48.4	Very low	48	Very low	178 Å²	178	126.1 Å²	126.1	77%	0.774	75%	0.752	S	S	*	*			trans	-91	103.5	167.4	-56.3	169.4	-169.7	-179	105.5	L79	L79-K81 PolarHBondContact O-N 3Å
82	C	48.3	Very low	47.7	Very low	190 Å²	190	126.6 Å²	126.6	100%	1.284	75%	0.749	S	S	*	*			trans	-61.1	0	166.6	-75.9	0	0	0	111.1

Retrieved 82 of 82 residues in 140.2 ms (Link to these results)

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