A0A087Y5T1_POEFO Loading...

Acylphosphatase

AlphaFold DB , UniProt , Accession A0A087Y5T1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 99 aa.

						>A0A087Y5T1_POEFO|A0A087Y5T1
MSAGSGLESVDFEIFGHVQGVCFRMYTEKEGLRLGLVGWVKNTAAGTVVGQAQGPAAMVEEMKFWLSKEGSPTSRITRARFTNQKPIDKLEFSGFKTRF
					

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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	42.6	Very low	74.6	Confident	241 Å²	241	71.1 Å²	71.1	100%	1.187	46%	0.46	S	S	*	.				0	92.1	0	-64.3	-66.9	-164.9	0	0	106.9	A3	M1-A3 PolarHBondContact O-N 2.92Å; M1-A3 VanDerWaalsContact O-N 3.07Å
2	S	39.7	Very low	76.5	Confident	124 Å²	124	65.6 Å²	65.6	87%	0.867	42%	0.424	S	S	*	.			trans	-73	101.7	179.3	-58.6	0	0	0	0	107.7	G4	S2-G4 PolarHBondContact O-N 2.86Å
3	A	51.2	Low	78.1	Confident	66 Å²	66	64.2 Å²	64.2	55%	0.545	41%	0.408	S	S	.	.			trans	-53.2	122.9	162.6	0	0	0	0	0	106.5	M1 S5 A57	M1-A3 PolarHBondContact O-N 2.92Å; M1-A3 VanDerWaalsContact O-N 3.07Å; A3-S5 PolarHBondContact O-N 3.12Å; A3-S5 VanDerWaalsContact O-N 3.08Å; A3-A57 HydrophobicContact CB-CB 3.97Å
4	G	54	Low	79.5	Confident	43 Å²	43	59.6 Å²	59.6	44%	0.443	38%	0.379	S	S	.	.			trans	-46.9	121.9	-179	0	0	0	0	0	109.2	S2 G6	S2-G4 PolarHBondContact O-N 2.86Å; G4-G6 PolarHBondContact O-N 2.95Å
5	S	65.2	Low	80.5	Confident	135 Å²	135	58.1 Å²	58.1	94%	0.944	37%	0.365	S	S	*	.	S	Bend	trans	-70	9.2	-171.4	52.7	0	0	0	0	113.8	A3	A3-S5 PolarHBondContact O-N 3.12Å; A3-S5 VanDerWaalsContact O-N 3.08Å
6	G	86.3	Confident	81.4	Confident	37 Å²	37	56.6 Å²	56.6	38%	0.381	36%	0.363	S	S	.	.	S	Bend	trans	-104.6	143.3	-178.7	0	0	0	0	0	112.3	G4 A56	G4-G6 PolarHBondContact O-N 2.95Å; G6-A56 PolarHBondContact O-N 2.65Å
7	L	94	Very high	82.1	Confident	51 Å²	51	58.6 Å²	58.6	27%	0.267	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	141.1	163.7	-60.5	172.9	0	0	0	108.5	G54 P55 P86 I87 L90	L7-G54 CarbonylContact C-O 3.6Å; L7-G54 WeakPolarHBondContact CA-O 3.25Å; L7-P55 HydrophobicContact CD2-CG 4.48Å; L7-P86 WeakPolarHBondContact O-CA 3.44Å; L7-I87 HydrophobicContact CB-CD1 4.17Å; L7-I87 HydrophobicContact CB-CG1 3.53Å; L7-I87 WeakPolarHBondContact CB-O 3.44Å; L7-I87 PolarHBondContact O-N 3.39Å; L7-L90 HydrophobicContact CD1-CD2 4.09Å; L7-L90 HydrophobicContact CD1-CG 4.22Å; L7-L90 HydrophobicContact CD2-CD2 4.15Å
8	E	95.8	Very high	82.6	Confident	46 Å²	46	55.4 Å²	55.4	22%	0.215	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.5	175.4	-67.4	-170.8	174.6	0	0	110.4	Q53 G54 A56 V59 Q84 K85	E8-Q53 CarbonylContact O-C 3.54Å; E8-Q53 WeakPolarHBondContact O-CA 3.4Å; E8-G54 PolarHBondContact N-O 3.4Å; E8-G54 PolarHBondContact O-N 2.64Å; E8-A56 HydrophobicContact CG-CB 3.89Å; E8-V59 HydrophobicContact CB-CG2 4.44Å; E8-Q84 PolarHBondContact OE2-NE2 2.99Å; E8-K85 CarbonylContact C-O 3.56Å; E8-K85 WeakPolarHBondContact CA-O 3.38Å
9	S	96.5	Very high	83	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.9	168.3	-176.9	0	0	0	0	108.6	Q51 A52 Q53 Q84 K85	S9-Q51 PolarHBondContact OG-NE2 3.03Å; S9-A52 WeakPolarHBondContact CA-O 3.48Å; S9-Q53 WeakPolarHBondContact OG-CG 3.47Å; S9-Q53 PolarHBondContact OG-NE2 3.15Å; S9-Q53 VanDerWaalsContact OG-NE2 3.12Å; S9-Q84 CarbonylContact O-C 3.52Å; S9-Q84 VanDerWaalsContact O-CA 3.25Å; S9-Q84 WeakPolarHBondContact O-CA 3.34Å; S9-K85 PolarHBondContact N-O 3.37Å; S9-K85 PolarHBondContact O-N 3.36Å
10	V	97.8	Very high	83.3	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.018	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.9	173.5	68.6	0	0	0	0	110.4	Q51 A52 V59 K63 F81 Q84	V10-Q51 WeakPolarHBondContact O-CA 3.42Å; V10-A52 HydrophobicContact CG1-CB 4.28Å; V10-A52 PolarHBondContact N-O 2.95Å; V10-A52 PolarHBondContact O-N 3.05Å; V10-V59 HydrophobicContact CB-CG1 4.13Å; V10-V59 HydrophobicContact CG1-CG1 3.44Å; V10-V59 VanDerWaalsContact CG1-CG1 3.44Å; V10-K63 HydrophobicContact CG1-CD 4.49Å; V10-K63 HydrophobicContact CG2-CD 4.46Å; V10-F81 HydrophobicContact CG2-CB 3.97Å; V10-F81 HydrophobicContact CG2-CD1 4.33Å; V10-Q84 HydrophobicContact CB-CB 4.47Å; V10-Q84 HydrophobicContact CG2-CB 4.11Å
11	D	98	Very high	83.7	Confident	36 Å²	36	55.3 Å²	55.3	19%	0.193	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	142	169.2	-62.5	-13.9	0	0	0	109	G50 Q51 F81 T82 N83	D11-G50 WeakPolarHBondContact CA-O 3.46Å; D11-Q51 VanDerWaalsContact OD1-CD 3.29Å; D11-Q51 VanDerWaalsContact OD1-CG 3.23Å; D11-Q51 WeakPolarHBondContact OD1-CG 3.32Å; D11-Q51 PolarHBondContact OD1-NE2 3.15Å; D11-F81 CarbonylContact O-C 3.6Å; D11-F81 WeakPolarHBondContact O-CA 3.32Å; D11-T82 WeakPolarHBondContact CB-O 3.37Å; D11-T82 PolarHBondContact N-O 3.38Å; D11-T82 PolarHBondContact O-N 3.12Å; D11-N83 HydrophobicContact CB-CB 4.36Å; D11-N83 WeakPolarHBondContact OD2-CB 3.2Å; D11-N83 PolarHBondContact OD2-ND2 2.73Å
12	F	97.4	Very high	86	Confident	5 Å²	5	47.5 Å²	47.5	2%	0.022	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.3	178.3	61.6	-96.5	0	0	0	111.8	I14 T27 V40 V49 G50 A52 L66 R80 F81 F95	F12-I14 HydrophobicContact CB-CD1 4.44Å; F12-I14 HydrophobicContact CD2-CD1 4.23Å; F12-I14 HydrophobicContact CD2-CG1 4.05Å; F12-T27 HydrophobicContact CE2-CG2 4.48Å; F12-T27 HydrophobicContact CZ-CG2 4.06Å; F12-V40 HydrophobicContact CE2-CG2 4.16Å; F12-V40 HydrophobicContact CZ-CB 4.3Å; F12-V40 HydrophobicContact CZ-CG2 4.22Å; F12-V49 CarbonylContact O-C 3.53Å; F12-V49 VanDerWaalsContact O-CA 3.23Å; F12-V49 WeakPolarHBondContact O-CA 3.43Å; F12-G50 WeakPolarHBondContact CD1-O 3.48Å; F12-G50 VanDerWaalsContact CZ-CA 3.41Å; F12-G50 PolarHBondContact N-O 3.15Å; F12-G50 PolarHBondContact O-N 2.81Å; F12-A52 HydrophobicContact CE1-CB 4.39Å; F12-L66 HydrophobicContact CB-CD1 4.14Å; F12-L66 HydrophobicContact CD1-CD1 3.87Å; F12-L66 HydrophobicContact CD2-CD1 3.98Å; F12-L66 HydrophobicContact CD2-CD2 4.49Å; F12-L66 HydrophobicContact CE1-CD1 4.21Å; F12-L66 HydrophobicContact CE2-CD1 4.31Å; F12-L66 HydrophobicContact CE2-CD2 4.38Å; F12-L66 HydrophobicContact CG-CD1 3.74Å; F12-L66 HydrophobicContact CZ-CD1 4.41Å; F12-R80 CarbonylContact C-O 3.58Å; F12-R80 VanDerWaalsContact CA-O 3.31Å; F12-R80 WeakPolarHBondContact CA-O 3.32Å; F12-F81 HydrophobicContact CB-CD1 3.69Å; F12-F81 HydrophobicContact CB-CE1 3.74Å; F12-F95 HydrophobicContact CE1-CZ 4.4Å; F12-F95 HydrophobicContact CZ-CZ 4.36Å
13	E	97.4	Very high	88.5	Confident	48 Å²	48	41.8 Å²	41.8	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	121.1	168.1	-176.5	172.7	-156.8	0	0	109.9	F15 T47 V48 V49 R80	E13-F15 HydrophobicContact CB-CE2 4.12Å; E13-F15 HydrophobicContact CB-CZ 4.42Å; E13-F15 HydrophobicContact CG-CD2 4.39Å; E13-F15 HydrophobicContact CG-CE1 4.38Å; E13-F15 HydrophobicContact CG-CE2 3.65Å; E13-F15 HydrophobicContact CG-CZ 3.63Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.46Å; E13-T47 HydrophobicContact CG-CG2 4.46Å; E13-T47 PolarHBondContact OE1-OG1 2.81Å; E13-V48 CarbonylContact C-O 3.55Å; E13-V48 WeakPolarHBondContact CA-O 3.16Å; E13-V49 HydrophobicContact CB-CG1 3.92Å; E13-V49 HydrophobicContact CG-CG1 3.68Å; E13-R80 HydrophobicContact CB-CB 4.45Å; E13-R80 PolarHBondContact N-O 3.25Å; E13-R80 PolarHBondContact O-N 3.47Å
14	I	96.7	Very high	90.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.4	-176.3	-44.4	-55.3	0	0	0	109.4	F12 V18 F23 T47 V48 L66 I76 A79	F12-I14 HydrophobicContact CB-CD1 4.44Å; F12-I14 HydrophobicContact CD2-CD1 4.23Å; F12-I14 HydrophobicContact CD2-CG1 4.05Å; I14-V18 HydrophobicContact CG2-CG1 3.94Å; I14-F23 HydrophobicContact CB-CZ 4.46Å; I14-F23 HydrophobicContact CG1-CE1 4.27Å; I14-F23 HydrophobicContact CG1-CZ 4.35Å; I14-F23 HydrophobicContact CG2-CZ 3.99Å; I14-T47 WeakPolarHBondContact O-CA 3.33Å; I14-T47 VanDerWaalsContact O-CB 3.29Å; I14-T47 WeakPolarHBondContact O-CB 3.38Å; I14-V48 HydrophobicContact CB-CB 4.43Å; I14-V48 PolarHBondContact N-O 3.25Å; I14-V48 PolarHBondContact O-N 3.07Å; I14-L66 HydrophobicContact CD1-CB 3.89Å; I14-L66 HydrophobicContact CD1-CD2 4.23Å; I14-L66 HydrophobicContact CD1-CG 4.46Å; I14-L66 HydrophobicContact CG1-CD2 4.14Å; I14-I76 HydrophobicContact CG2-CB 4.43Å; I14-I76 HydrophobicContact CG2-CG1 3.95Å; I14-I76 HydrophobicContact CG2-CG2 3.79Å; I14-A79 HydrophobicContact CD1-CB 3.68Å
15	F	95.5	Very high	92.3	Very high	37 Å²	37	45.9 Å²	45.9	16%	0.162	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.1	-179.7	-57.1	-98.9	0	0	0	109.9	E13 T47 T77 R78 R80	E13-F15 HydrophobicContact CB-CE2 4.12Å; E13-F15 HydrophobicContact CB-CZ 4.42Å; E13-F15 HydrophobicContact CG-CD2 4.39Å; E13-F15 HydrophobicContact CG-CE1 4.38Å; E13-F15 HydrophobicContact CG-CE2 3.65Å; E13-F15 HydrophobicContact CG-CZ 3.63Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.46Å; F15-T47 HydrophobicContact CD1-CG2 3.42Å; F15-T47 VanDerWaalsContact CD1-CG2 3.42Å; F15-T47 HydrophobicContact CE1-CG2 3.62Å; F15-T47 HydrophobicContact CG-CG2 4.08Å; F15-T47 HydrophobicContact CZ-CG2 4.43Å; F15-T77 VanDerWaalsContact C-OG1 3.3Å; F15-T77 PolarHBondContact O-N 3.46Å; F15-T77 PolarHBondContact O-OG1 3.43Å; F15-R78 HydrophobicContact CB-CB 4.08Å; F15-R78 HydrophobicContact CD2-CB 4.07Å; F15-R78 HydrophobicContact CD2-CG 4.21Å; F15-R78 WeakPolarHBondContact CD2-O 3.27Å; F15-R78 HydrophobicContact CG-CB 4.35Å; F15-R78 PolarHBondContact N-O 3.17Å; F15-R78 PolarHBondContact O-N 2.85Å; F15-R80 HydrophobicContact CE2-CB 3.98Å
16	G	93.7	Very high	93.7	Very high	33 Å²	33	43.9 Å²	43.9	34%	0.34	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	128.4	-152.8	175.5	0	0	0	0	0	112.1	V18 R75 T77	G16-V18 PolarHBondContact O-N 3.15Å; G16-V18 VanDerWaalsContact O-N 3.16Å; G16-R75 CarbonylContact C-O 3.59Å; G16-R75 VanDerWaalsContact CA-O 3.31Å; G16-R75 WeakPolarHBondContact CA-O 3.3Å; G16-T77 WeakPolarHBondContact CA-OG1 3.34Å; G16-T77 PolarHBondContact N-OG1 3.45Å
17	H	93.7	Very high	94.2	Very high	91 Å²	91	42.1 Å²	42.1	42%	0.421	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	83.2	173.5	-169.8	65.2	0	0	0	109.2	V21 S74 R75	H17-V21 WeakPolarHBondContact NE2-CG1 3.33Å; H17-S74 CarbonylContact O-C 3.49Å; H17-S74 WeakPolarHBondContact O-CA 3.41Å; H17-S74 VanDerWaalsContact O-CB 3.26Å; H17-S74 WeakPolarHBondContact O-CB 3.37Å; H17-R75 HydrophobicContact CB-CB 4.06Å; H17-R75 PolarHBondContact N-O 3.17Å; H17-R75 PolarHBondContact O-N 2.77Å
18	V	91.8	Very high	94.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	24%	0.235	C	C	.	.			trans	-124.9	-4.9	-170.9	-65.4	0	0	0	0	114	I14 G16 F23 V48 I76	I14-V18 HydrophobicContact CG2-CG1 3.94Å; G16-V18 PolarHBondContact O-N 3.15Å; G16-V18 VanDerWaalsContact O-N 3.16Å; V18-F23 HydrophobicContact CB-CD2 4.12Å; V18-F23 HydrophobicContact CB-CE2 4.5Å; V18-F23 HydrophobicContact CB-CG 4.24Å; V18-F23 HydrophobicContact CG1-CD2 4Å; V18-F23 HydrophobicContact CG1-CE2 3.94Å; V18-F23 HydrophobicContact CG1-CZ 4.46Å; V18-F23 WeakPolarHBondContact O-CB 3.47Å; V18-V48 HydrophobicContact CB-CG2 3.89Å; V18-V48 HydrophobicContact CG2-CB 4.36Å; V18-V48 HydrophobicContact CG2-CG2 3.71Å; V18-I76 HydrophobicContact CG1-CG1 4.44Å
19	Q	89.1	Confident	94.2	Very high	65 Å²	65	47.5 Å²	47.5	30%	0.304	26%	0.256	S	S	.	.	S	Bend	trans	-106.4	148.4	173.2	-60	-167.3	-3.4	0	0	110.7	V21 T43 G46 T47	Q19-V21 PolarHBondContact O-N 2.92Å; Q19-T43 PolarHBondContact NE2-O 2.99Å; Q19-G46 VanDerWaalsContact NE2-C 3.27Å; Q19-G46 VanDerWaalsContact NE2-CA 3.3Å; Q19-T47 PolarHBondContact NE2-O 3.06Å
20	G	89.8	Confident	94.2	Very high	86 Å²	86	48.5 Å²	48.5	89%	0.887	26%	0.261	S	S	*	.	S	Bend	trans	76.1	1.4	-175.4	0	0	0	0	0	115.2
21	V	91.8	Very high	94	Very high	12 Å²	12	48.4 Å²	48.4	7%	0.073	26%	0.26	C	S	.	.	S	Bend	trans	-115.8	22.1	-174.2	-65.3	0	0	0	0	113.3	H17 Q19 F23 S71 T73	H17-V21 WeakPolarHBondContact NE2-CG1 3.33Å; Q19-V21 PolarHBondContact O-N 2.92Å; V21-F23 HydrophobicContact CG2-CB 4.15Å; V21-F23 PolarHBondContact O-N 2.99Å; V21-S71 VanDerWaalsContact O-CB 3.3Å; V21-S71 WeakPolarHBondContact O-CB 3.45Å; V21-S71 PolarHBondContact O-OG 3.08Å; V21-S71 VanDerWaalsContact O-OG 3.05Å; V21-T73 WeakPolarHBondContact CB-OG1 3.4Å
22	C	90.8	Very high	93.9	Very high	78 Å²	78	51.1 Å²	51.1	53%	0.527	27%	0.274	S	S	.	.			trans	57	17.9	-176.6	-61.6	0	0	0	0	115.1	R24 M25 Y26	C22-R24 VanDerWaalsContact C-N 3.28Å; C22-R24 PolarHBondContact O-N 2.76Å; C22-R24 VanDerWaalsContact O-N 3.15Å; C22-M25 WeakPolarHBondContact O-CB 3.39Å; C22-M25 PolarHBondContact O-N 2.91Å; C22-Y26 HydrophobicContact CB-CD2 4.24Å; C22-Y26 HydrophobicContact CB-CE2 4.21Å; C22-Y26 WeakPolarHBondContact O-CD2 3.46Å; C22-Y26 PolarHBondContact O-N 3.01Å
23	F	91.3	Very high	93.8	Very high	3 Å²	3	58.9 Å²	58.9	1%	0.013	30%	0.303	C	S	.	.	H	α-helix	trans	-49.2	-47.6	-176.2	-162.6	-86.6	0	0	0	112.8	I14 V18 V21 M25 Y26 T27 V48 L66 I76	I14-F23 HydrophobicContact CB-CZ 4.46Å; I14-F23 HydrophobicContact CG1-CE1 4.27Å; I14-F23 HydrophobicContact CG1-CZ 4.35Å; I14-F23 HydrophobicContact CG2-CZ 3.99Å; V18-F23 HydrophobicContact CB-CD2 4.12Å; V18-F23 HydrophobicContact CB-CE2 4.5Å; V18-F23 HydrophobicContact CB-CG 4.24Å; V18-F23 HydrophobicContact CG1-CD2 4Å; V18-F23 HydrophobicContact CG1-CE2 3.94Å; V18-F23 HydrophobicContact CG1-CZ 4.46Å; V18-F23 WeakPolarHBondContact O-CB 3.47Å; V21-F23 HydrophobicContact CG2-CB 4.15Å; V21-F23 PolarHBondContact O-N 2.99Å; F23-M25 VanDerWaalsContact C-N 3.32Å; F23-M25 PolarHBondContact O-N 2.81Å; F23-Y26 PolarHBondContact O-N 3.2Å; F23-Y26 VanDerWaalsContact O-N 3.11Å; F23-T27 VanDerWaalsContact CD1-OG1 3.28Å; F23-T27 WeakPolarHBondContact CD1-OG1 3.47Å; F23-T27 WeakPolarHBondContact CE1-OG1 3.26Å; F23-T27 PolarHBondContact O-N 2.91Å; F23-T27 PolarHBondContact O-OG1 2.96Å; F23-V48 HydrophobicContact CD1-CB 4.24Å; F23-V48 HydrophobicContact CD1-CG1 3.96Å; F23-V48 HydrophobicContact CD1-CG2 4.07Å; F23-V48 HydrophobicContact CE1-CB 4.48Å; F23-V48 HydrophobicContact CE1-CG1 4.23Å; F23-V48 HydrophobicContact CG-CG2 4.49Å; F23-L66 HydrophobicContact CE1-CD2 4.03Å; F23-L66 HydrophobicContact CZ-CD2 4.22Å; F23-I76 HydrophobicContact CE2-CD1 4.01Å; F23-I76 HydrophobicContact CE2-CG1 4.01Å; F23-I76 HydrophobicContact CZ-CD1 4.19Å; F23-I76 HydrophobicContact CZ-CG1 4.38Å
24	R	93.8	Very high	93.6	Very high	66 Å²	66	57.5 Å²	57.5	25%	0.249	30%	0.297	C	S	.	.	H	α-helix	trans	-55.1	-42.9	178.6	-64.5	-178.7	-71.7	169.6	-3.4	113.4	C22 T27 E28 V40 N42 T97	C22-R24 VanDerWaalsContact C-N 3.28Å; C22-R24 PolarHBondContact O-N 2.76Å; C22-R24 VanDerWaalsContact O-N 3.15Å; R24-T27 PolarHBondContact O-N 3.08Å; R24-E28 WeakPolarHBondContact O-CB 3.08Å; R24-E28 PolarHBondContact O-N 2.71Å; R24-V40 HydrophobicContact CB-CG1 4.05Å; R24-V40 HydrophobicContact CG-CG1 4.38Å; R24-V40 HydrophobicContact CG-CG2 4.14Å; R24-N42 WeakPolarHBondContact CD-OD1 3.15Å; R24-N42 WeakPolarHBondContact CG-OD1 3.41Å; R24-N42 PolarHBondContact NE-OD1 2.78Å; R24-T97 HydrophobicContact CB-CG2 3.85Å; R24-T97 HydrophobicContact CG-CG2 4.38Å
25	M	92.7	Very high	93.6	Very high	130 Å²	130	60.1 Å²	60.1	64%	0.64	33%	0.325	S	S	*	.	H	α-helix	trans	-65.2	-41.4	178.6	-179.6	-170.5	-75.2	0	0	111.3	C22 F23 E28 K29	C22-M25 WeakPolarHBondContact O-CB 3.39Å; C22-M25 PolarHBondContact O-N 2.91Å; F23-M25 VanDerWaalsContact C-N 3.32Å; F23-M25 PolarHBondContact O-N 2.81Å; M25-E28 PolarHBondContact O-N 3.37Å; M25-K29 WeakPolarHBondContact O-CB 3.46Å; M25-K29 PolarHBondContact O-N 3.44Å
26	Y	95	Very high	93.6	Very high	92 Å²	92	58.5 Å²	58.5	36%	0.361	32%	0.318	S	S	.	.	H	α-helix	trans	-68.7	-41.2	176.5	-79.1	-90.5	0	0	0	111.8	C22 F23 E28 K29 E30 S71 P72	C22-Y26 HydrophobicContact CB-CD2 4.24Å; C22-Y26 HydrophobicContact CB-CE2 4.21Å; C22-Y26 WeakPolarHBondContact O-CD2 3.46Å; C22-Y26 PolarHBondContact O-N 3.01Å; F23-Y26 PolarHBondContact O-N 3.2Å; F23-Y26 VanDerWaalsContact O-N 3.11Å; Y26-E28 VanDerWaalsContact C-N 3.32Å; Y26-E28 PolarHBondContact O-N 2.86Å; Y26-K29 PolarHBondContact O-N 2.94Å; Y26-E30 WeakPolarHBondContact O-CB 3.21Å; Y26-E30 PolarHBondContact O-N 3.39Å; Y26-S71 VanDerWaalsContact CD2-CB 3.48Å; Y26-P72 HydrophobicContact CE1-CG 4.09Å; Y26-P72 VanDerWaalsContact CZ-CD 3.4Å
27	T	95.1	Very high	93.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-43.4	174.6	-53.6	0	0	0	0	111.6	F12 F23 R24 E30 G31 V40 M62 L66 F95	F12-T27 HydrophobicContact CE2-CG2 4.48Å; F12-T27 HydrophobicContact CZ-CG2 4.06Å; F23-T27 VanDerWaalsContact CD1-OG1 3.28Å; F23-T27 WeakPolarHBondContact CD1-OG1 3.47Å; F23-T27 WeakPolarHBondContact CE1-OG1 3.26Å; F23-T27 PolarHBondContact O-N 2.91Å; F23-T27 PolarHBondContact O-OG1 2.96Å; R24-T27 PolarHBondContact O-N 3.08Å; T27-E30 PolarHBondContact O-N 2.85Å; T27-G31 PolarHBondContact O-N 3.11Å; T27-V40 HydrophobicContact CG2-CB 4.06Å; T27-V40 HydrophobicContact CG2-CG1 4.39Å; T27-V40 HydrophobicContact CG2-CG2 3.95Å; T27-M62 HydrophobicContact CG2-CE 3.49Å; T27-M62 VanDerWaalsContact CG2-CE 3.49Å; T27-L66 HydrophobicContact CG2-CD2 4.12Å; T27-F95 HydrophobicContact CG2-CE1 4.01Å; T27-F95 HydrophobicContact CG2-CZ 3.99Å
28	E	95.2	Very high	93.9	Very high	60 Å²	60	53.5 Å²	53.5	28%	0.28	29%	0.288	S	S	.	.	H	α-helix	trans	-62.5	-48.7	175.9	-179.9	173.8	154.9	0	0	111.9	R24 M25 Y26 E30 G31 L32 F95 T97	R24-E28 WeakPolarHBondContact O-CB 3.08Å; R24-E28 PolarHBondContact O-N 2.71Å; M25-E28 PolarHBondContact O-N 3.37Å; Y26-E28 VanDerWaalsContact C-N 3.32Å; Y26-E28 PolarHBondContact O-N 2.86Å; E28-E30 VanDerWaalsContact C-N 3.3Å; E28-E30 PolarHBondContact O-N 2.89Å; E28-G31 PolarHBondContact O-N 2.98Å; E28-L32 HydrophobicContact CG-CD1 4.25Å; E28-L32 WeakPolarHBondContact O-CG 3.36Å; E28-L32 PolarHBondContact O-N 2.91Å; E28-F95 HydrophobicContact CB-CD1 4.22Å; E28-F95 HydrophobicContact CG-CD1 4.36Å; E28-F95 WeakPolarHBondContact CG-O 3.29Å; E28-T97 WeakPolarHBondContact OE2-CB 3.2Å; E28-T97 PolarHBondContact OE2-N 3.3Å; E28-T97 PolarHBondContact OE2-OG1 3.49Å
29	K	95.4	Very high	94.2	Very high	151 Å²	151	55.6 Å²	55.6	66%	0.657	30%	0.295	S	S	*	.	H	α-helix	trans	-58.9	-42.6	177.9	-173.8	179.9	179.9	-177.9	0	111.9	M25 Y26 R33	M25-K29 WeakPolarHBondContact O-CB 3.46Å; M25-K29 PolarHBondContact O-N 3.44Å; Y26-K29 PolarHBondContact O-N 2.94Å; K29-R33 WeakPolarHBondContact O-CB 3.23Å; K29-R33 PolarHBondContact O-N 3.45Å
30	E	95.6	Very high	94.6	Very high	21 Å²	21	52.5 Å²	52.5	10%	0.098	28%	0.281	C	S	.	.	H	α-helix	trans	-69.9	-43.6	-179.8	-173.7	62	-166.3	0	0	112.1	Y26 T27 E28 L32 R33 L34 M62 W65	Y26-E30 WeakPolarHBondContact O-CB 3.21Å; Y26-E30 PolarHBondContact O-N 3.39Å; T27-E30 PolarHBondContact O-N 2.85Å; E28-E30 VanDerWaalsContact C-N 3.3Å; E28-E30 PolarHBondContact O-N 2.89Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 2.87Å; E30-R33 VanDerWaalsContact CD-NE 3.33Å; E30-R33 WeakPolarHBondContact O-CB 3.38Å; E30-R33 PolarHBondContact O-N 2.93Å; E30-R33 VanDerWaalsContact O-N 3.1Å; E30-R33 IonicContact OE1-CZ 3.28Å; E30-R33 VanDerWaalsContact OE1-CZ 3.28Å; E30-R33 IonicContact OE1-NE 3.15Å; E30-R33 PolarHBondContact OE1-NE 3.3Å; E30-R33 VanDerWaalsContact OE1-NE 3.15Å; E30-R33 IonicContact OE1-NH2 2.64Å; E30-R33 PolarHBondContact OE1-NH2 3.1Å; E30-R33 IonicContact OE2-CZ 3.7Å; E30-R33 IonicContact OE2-NE 2.81Å; E30-R33 PolarHBondContact OE2-NE 2.95Å; E30-R33 IonicContact OE2-NH2 3.75Å; E30-L34 HydrophobicContact CG-CD1 4.16Å; E30-L34 WeakPolarHBondContact O-CG 3.43Å; E30-L34 PolarHBondContact O-N 3.38Å; E30-M62 HydrophobicContact CB-SD 4.44Å; E30-M62 HydrophobicContact CG-SD 4.01Å; E30-W65 HydrophobicContact CB-CD2 4.23Å; E30-W65 HydrophobicContact CB-CE3 4.36Å; E30-W65 HydrophobicContact CB-CH2 4.41Å; E30-W65 HydrophobicContact CB-CZ2 4.25Å; E30-W65 HydrophobicContact CB-CZ3 4.46Å; E30-W65 HydrophobicContact CG-CB 4.44Å; E30-W65 HydrophobicContact CG-CD2 3.68Å; E30-W65 HydrophobicContact CG-CE3 4.11Å; E30-W65 HydrophobicContact CG-CG 3.8Å; E30-W65 HydrophobicContact CG-CZ2 4.48Å
31	G	95.1	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-56.4	-45.2	173.7	0	0	0	0	0	111.8	T27 E28 L34 G35 L36	T27-G31 PolarHBondContact O-N 3.11Å; E28-G31 PolarHBondContact O-N 2.98Å; G31-L34 PolarHBondContact O-N 3.27Å; G31-G35 PolarHBondContact O-N 2.98Å; G31-L36 WeakPolarHBondContact O-CB 3.43Å; G31-L36 PolarHBondContact O-N 3.01Å
32	L	94.9	Very high	95	Very high	93 Å²	93	52.9 Å²	52.9	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-65	-39.4	175	-67.7	173.7	0	0	0	112.6	E28 E30 L34 G35 F95	E28-L32 HydrophobicContact CG-CD1 4.25Å; E28-L32 WeakPolarHBondContact O-CG 3.36Å; E28-L32 PolarHBondContact O-N 2.91Å; E30-L32 VanDerWaalsContact C-N 3.3Å; E30-L32 PolarHBondContact O-N 2.87Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 3.46Å; L32-G35 PolarHBondContact O-N 3.44Å; L32-G35 VanDerWaalsContact O-N 3.12Å; L32-F95 HydrophobicContact CD2-CB 4Å; L32-F95 HydrophobicContact CG-CB 4.07Å
33	R	95.4	Very high	95.2	Very high	168 Å²	168	50.7 Å²	50.7	63%	0.634	24%	0.243	S	C	*	.	H	α-helix	trans	-61.7	-39.6	177.7	-171.2	-173.2	76.5	83.7	-3.4	112.1	K29 E30 G35	K29-R33 WeakPolarHBondContact O-CB 3.23Å; K29-R33 PolarHBondContact O-N 3.45Å; E30-R33 VanDerWaalsContact CD-NE 3.33Å; E30-R33 WeakPolarHBondContact O-CB 3.38Å; E30-R33 PolarHBondContact O-N 2.93Å; E30-R33 VanDerWaalsContact O-N 3.1Å; E30-R33 IonicContact OE1-CZ 3.28Å; E30-R33 VanDerWaalsContact OE1-CZ 3.28Å; E30-R33 IonicContact OE1-NE 3.15Å; E30-R33 PolarHBondContact OE1-NE 3.3Å; E30-R33 VanDerWaalsContact OE1-NE 3.15Å; E30-R33 IonicContact OE1-NH2 2.64Å; E30-R33 PolarHBondContact OE1-NH2 3.1Å; E30-R33 IonicContact OE2-CZ 3.7Å; E30-R33 IonicContact OE2-NE 2.81Å; E30-R33 PolarHBondContact OE2-NE 2.95Å; E30-R33 IonicContact OE2-NH2 3.75Å; R33-G35 PolarHBondContact O-N 2.87Å
34	L	94.4	Very high	95.2	Very high	19 Å²	19	56.2 Å²	56.2	10%	0.099	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-2	177.6	-65.2	174.7	0	0	0	113.2	E30 G31 L32 L36 M58 E61 M62	E30-L34 HydrophobicContact CG-CD1 4.16Å; E30-L34 WeakPolarHBondContact O-CG 3.43Å; E30-L34 PolarHBondContact O-N 3.38Å; G31-L34 PolarHBondContact O-N 3.27Å; L32-L34 VanDerWaalsContact C-N 3.32Å; L32-L34 PolarHBondContact O-N 3.46Å; L34-L36 VanDerWaalsContact C-N 3.27Å; L34-L36 HydrophobicContact CB-CD1 4.12Å; L34-L36 HydrophobicContact CB-CG 3.97Å; L34-L36 HydrophobicContact CD1-CD1 4.24Å; L34-L36 PolarHBondContact O-N 3.4Å; L34-M58 HydrophobicContact CD2-SD 4.31Å; L34-M58 WeakPolarHBondContact O-CG 3.35Å; L34-E61 HydrophobicContact CD1-CB 4.13Å; L34-E61 HydrophobicContact CD2-CB 4.14Å; L34-M62 HydrophobicContact CD1-CB 3.88Å; L34-M62 HydrophobicContact CD1-SD 4.09Å
35	G	94.8	Very high	95.1	Very high	56 Å²	56	57.2 Å²	57.2	58%	0.577	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	23.1	-177	0	0	0	0	0	113.7	G31 L32 R33	G31-G35 PolarHBondContact O-N 2.98Å; L32-G35 PolarHBondContact O-N 3.44Å; L32-G35 VanDerWaalsContact O-N 3.12Å; R33-G35 PolarHBondContact O-N 2.87Å
36	L	96.7	Very high	95.1	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.016	30%	0.296	C	S	.	.			trans	-86.9	156.9	176.6	-60.3	176.9	0	0	0	111.2	G31 L34 A52 Q53 M58 V59 M62 F95	G31-L36 WeakPolarHBondContact O-CB 3.43Å; G31-L36 PolarHBondContact O-N 3.01Å; L34-L36 VanDerWaalsContact C-N 3.27Å; L34-L36 HydrophobicContact CB-CD1 4.12Å; L34-L36 HydrophobicContact CB-CG 3.97Å; L34-L36 HydrophobicContact CD1-CD1 4.24Å; L34-L36 PolarHBondContact O-N 3.4Å; L36-A52 HydrophobicContact CD1-CB 4.44Å; L36-Q53 WeakPolarHBondContact CA-O 3.42Å; L36-M58 HydrophobicContact CD2-CB 3.61Å; L36-M58 HydrophobicContact CG-CB 4.21Å; L36-V59 HydrophobicContact CD2-CG2 3.95Å; L36-M62 HydrophobicContact CD1-CB 3.45Å; L36-M62 VanDerWaalsContact CD1-CB 3.45Å; L36-M62 HydrophobicContact CD1-CG 3.79Å; L36-M62 HydrophobicContact CD1-SD 4.37Å; L36-F95 HydrophobicContact CB-CD2 4.49Å
37	V	97.2	Very high	95.1	Very high	16 Å²	16	48.5 Å²	48.5	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	159	170.2	-55.3	0	0	0	0	110	A52 Q53 L90 F92 G94	V37-A52 CarbonylContact O-C 3.59Å; V37-Q53 HydrophobicContact CG2-CB 3.8Å; V37-Q53 PolarHBondContact N-O 3.07Å; V37-Q53 PolarHBondContact O-N 2.84Å; V37-L90 HydrophobicContact CG1-CD1 4.13Å; V37-L90 HydrophobicContact CG2-CB 4.05Å; V37-L90 HydrophobicContact CG2-CD1 4.1Å; V37-L90 HydrophobicContact CG2-CD2 3.9Å; V37-L90 HydrophobicContact CG2-CG 4.23Å; V37-F92 HydrophobicContact CB-CB 4.03Å; V37-F92 HydrophobicContact CG2-CB 3.98Å; V37-G94 WeakPolarHBondContact CA-O 3.46Å; V37-G94 WeakPolarHBondContact CB-O 3.26Å
38	G	96.8	Very high	95.1	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.2	-154	-178.2	0	0	0	0	0	114.1	Q51 G94 F95 K96	G38-Q51 CarbonylContact C-O 3.57Å; G38-Q51 WeakPolarHBondContact CA-O 3.23Å; G38-G94 PolarHBondContact N-O 3.42Å; G38-F95 WeakPolarHBondContact O-CA 3.14Å; G38-K96 PolarHBondContact O-N 3.16Å
39	W	97.2	Very high	95.2	Very high	46 Å²	46	47.1 Å²	47.1	17%	0.174	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	160.2	-177.9	62.6	-85.8	0	0	0	112.8	K41 V49 G50 Q51 F92 K96 R98	W39-K41 HydrophobicContact CE3-CB 4.05Å; W39-K41 HydrophobicContact CZ3-CB 3.67Å; W39-V49 HydrophobicContact CH2-CG2 4.31Å; W39-V49 HydrophobicContact CZ3-CG2 4.18Å; W39-G50 CarbonylContact O-C 3.54Å; W39-G50 WeakPolarHBondContact O-CA 3.38Å; W39-Q51 HydrophobicContact CZ2-CB 4.44Å; W39-Q51 PolarHBondContact N-O 3.34Å; W39-Q51 PolarHBondContact O-N 2.76Å; W39-F92 AromaticContact CD1-CZ 3.89Å; W39-K96 WeakPolarHBondContact CA-O 3.48Å; W39-K96 WeakPolarHBondContact CB-O 3.4Å; W39-R98 HydrophobicContact CB-CG 4.08Å; W39-R98 VanDerWaalsContact CD1-CZ 3.43Å; W39-R98 VanDerWaalsContact CD1-NH2 3.32Å; W39-R98 HydrophobicContact CE3-CG 4.31Å
40	V	96.8	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.4	176.7	63.4	0	0	0	0	111	F12 R24 T27 V48 V49 F95 K96 R98	F12-V40 HydrophobicContact CE2-CG2 4.16Å; F12-V40 HydrophobicContact CZ-CB 4.3Å; F12-V40 HydrophobicContact CZ-CG2 4.22Å; R24-V40 HydrophobicContact CB-CG1 4.05Å; R24-V40 HydrophobicContact CG-CG1 4.38Å; R24-V40 HydrophobicContact CG-CG2 4.14Å; T27-V40 HydrophobicContact CG2-CB 4.06Å; T27-V40 HydrophobicContact CG2-CG1 4.39Å; T27-V40 HydrophobicContact CG2-CG2 3.95Å; V40-V48 HydrophobicContact CG2-CG1 3.34Å; V40-V49 CarbonylContact C-O 3.59Å; V40-V49 WeakPolarHBondContact CA-O 3.48Å; V40-F95 HydrophobicContact CB-CE1 4.05Å; V40-F95 HydrophobicContact CG1-CE1 4.06Å; V40-K96 PolarHBondContact N-O 2.87Å; V40-K96 VanDerWaalsContact N-O 3.15Å; V40-R98 PolarHBondContact O-N 3.36Å
41	K	95.9	Very high	95.4	Very high	73 Å²	73	40.3 Å²	40.3	32%	0.317	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149	-178	-166.7	-172.6	159.4	127	0	111.2	W39 V48 V49 R98 F99	W39-K41 HydrophobicContact CE3-CB 4.05Å; W39-K41 HydrophobicContact CZ3-CB 3.67Å; K41-V48 WeakPolarHBondContact O-CA 3.42Å; K41-V49 HydrophobicContact CB-CG2 4.29Å; K41-V49 PolarHBondContact N-O 2.99Å; K41-V49 PolarHBondContact O-N 2.92Å; K41-R98 HydrophobicContact CB-CB 4.14Å; K41-R98 HydrophobicContact CG-CB 4.21Å; K41-F99 VanDerWaalsContact CE-OXT 3.26Å; K41-F99 WeakPolarHBondContact CE-OXT 3.4Å; K41-F99 VanDerWaalsContact NZ-C 3.27Å; K41-F99 PolarHBondContact NZ-O 2.81Å; K41-F99 PolarHBondContact NZ-OXT 2.82Å; K41-F99 VanDerWaalsContact NZ-OXT 3.08Å
42	N	94.8	Very high	95.5	Very high	33 Å²	33	40.4 Å²	40.4	18%	0.176	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.7	166.9	-76	3.5	0	0	0	111	R24	R24-N42 WeakPolarHBondContact CD-OD1 3.15Å; R24-N42 WeakPolarHBondContact CG-OD1 3.41Å; R24-N42 PolarHBondContact NE-OD1 2.78Å
43	T	94.6	Very high	95.6	Very high	31 Å²	31	36 Å²	36	19%	0.19	23%	0.225	C	C	.	.			trans	-95.8	159.4	170	73.5	0	0	0	0	110.9	Q19 A45 G46 T47 V49	Q19-T43 PolarHBondContact NE2-O 2.99Å; T43-A45 PolarHBondContact O-N 2.97Å; T43-A45 PolarHBondContact OG1-N 3.18Å; T43-G46 PolarHBondContact O-N 3.07Å; T43-T47 VanDerWaalsContact CG2-OG1 3.27Å; T43-T47 WeakPolarHBondContact CG2-OG1 3.46Å; T43-T47 PolarHBondContact N-O 3.27Å; T43-T47 PolarHBondContact OG1-N 2.9Å; T43-T47 PolarHBondContact OG1-O 2.96Å; T43-T47 PolarHBondContact OG1-OG1 2.74Å; T43-V49 HydrophobicContact CG2-CB 4.13Å; T43-V49 HydrophobicContact CG2-CG1 3.47Å; T43-V49 VanDerWaalsContact CG2-CG1 3.47Å; T43-V49 HydrophobicContact CG2-CG2 3.61Å
44	A	91.5	Very high	95.6	Very high	119 Å²	119	28 Å²	28	98%	0.983	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.2	171.6	0	0	0	0	0	112.8	G46	A44-G46 PolarHBondContact O-N 2.88Å
45	A	91.4	Very high	95.7	Very high	87 Å²	87	29.6 Å²	29.6	72%	0.719	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	3.8	178.3	0	0	0	0	0	113.6	T43	T43-A45 PolarHBondContact O-N 2.97Å; T43-A45 PolarHBondContact OG1-N 3.18Å
46	G	92.5	Very high	95.6	Very high	30 Å²	30	27.7 Å²	27.7	31%	0.309	19%	0.186	S	C	.	.	S	Bend	trans	85	6.7	-179.4	0	0	0	0	0	114.6	Q19 T43 A44	Q19-G46 VanDerWaalsContact NE2-C 3.27Å; Q19-G46 VanDerWaalsContact NE2-CA 3.3Å; T43-G46 PolarHBondContact O-N 3.07Å; A44-G46 PolarHBondContact O-N 2.88Å
47	T	95.1	Very high	95.4	Very high	9 Å²	9	29.1 Å²	29.1	6%	0.055	20%	0.198	C	C	.	.			trans	-95.9	168.8	177.3	62.1	0	0	0	0	111.6	E13 I14 F15 Q19 T43	E13-T47 HydrophobicContact CG-CG2 4.46Å; E13-T47 PolarHBondContact OE1-OG1 2.81Å; I14-T47 WeakPolarHBondContact O-CA 3.33Å; I14-T47 VanDerWaalsContact O-CB 3.29Å; I14-T47 WeakPolarHBondContact O-CB 3.38Å; F15-T47 HydrophobicContact CD1-CG2 3.42Å; F15-T47 VanDerWaalsContact CD1-CG2 3.42Å; F15-T47 HydrophobicContact CE1-CG2 3.62Å; F15-T47 HydrophobicContact CG-CG2 4.08Å; F15-T47 HydrophobicContact CZ-CG2 4.43Å; Q19-T47 PolarHBondContact NE2-O 3.06Å; T43-T47 VanDerWaalsContact CG2-OG1 3.27Å; T43-T47 WeakPolarHBondContact CG2-OG1 3.46Å; T43-T47 PolarHBondContact N-O 3.27Å; T43-T47 PolarHBondContact OG1-N 2.9Å; T43-T47 PolarHBondContact OG1-O 2.96Å; T43-T47 PolarHBondContact OG1-OG1 2.74Å
48	V	96.1	Very high	95.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125	169.8	174.4	0	0	0	0	108.3	E13 I14 V18 F23 V40 K41	E13-V48 CarbonylContact C-O 3.55Å; E13-V48 WeakPolarHBondContact CA-O 3.16Å; I14-V48 HydrophobicContact CB-CB 4.43Å; I14-V48 PolarHBondContact N-O 3.25Å; I14-V48 PolarHBondContact O-N 3.07Å; V18-V48 HydrophobicContact CB-CG2 3.89Å; V18-V48 HydrophobicContact CG2-CB 4.36Å; V18-V48 HydrophobicContact CG2-CG2 3.71Å; F23-V48 HydrophobicContact CD1-CB 4.24Å; F23-V48 HydrophobicContact CD1-CG1 3.96Å; F23-V48 HydrophobicContact CD1-CG2 4.07Å; F23-V48 HydrophobicContact CE1-CB 4.48Å; F23-V48 HydrophobicContact CE1-CG1 4.23Å; F23-V48 HydrophobicContact CG-CG2 4.49Å; V40-V48 HydrophobicContact CG2-CG1 3.34Å; K41-V48 WeakPolarHBondContact O-CA 3.42Å
49	V	97.1	Very high	95.3	Very high	31 Å²	31	31.2 Å²	31.2	19%	0.188	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	158.1	177.4	-66.3	0	0	0	0	111	F12 E13 W39 V40 K41 T43	F12-V49 CarbonylContact O-C 3.53Å; F12-V49 VanDerWaalsContact O-CA 3.23Å; F12-V49 WeakPolarHBondContact O-CA 3.43Å; E13-V49 HydrophobicContact CB-CG1 3.92Å; E13-V49 HydrophobicContact CG-CG1 3.68Å; W39-V49 HydrophobicContact CH2-CG2 4.31Å; W39-V49 HydrophobicContact CZ3-CG2 4.18Å; V40-V49 CarbonylContact C-O 3.59Å; V40-V49 WeakPolarHBondContact CA-O 3.48Å; K41-V49 HydrophobicContact CB-CG2 4.29Å; K41-V49 PolarHBondContact N-O 2.99Å; K41-V49 PolarHBondContact O-N 2.92Å; T43-V49 HydrophobicContact CG2-CB 4.13Å; T43-V49 HydrophobicContact CG2-CG1 3.47Å; T43-V49 VanDerWaalsContact CG2-CG1 3.47Å; T43-V49 HydrophobicContact CG2-CG2 3.61Å
50	G	96.9	Very high	95.2	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	-174.4	172.9	0	0	0	0	0	112.7	D11 F12 W39	D11-G50 WeakPolarHBondContact CA-O 3.46Å; F12-G50 WeakPolarHBondContact CD1-O 3.48Å; F12-G50 VanDerWaalsContact CZ-CA 3.41Å; F12-G50 PolarHBondContact N-O 3.15Å; F12-G50 PolarHBondContact O-N 2.81Å; W39-G50 CarbonylContact O-C 3.54Å; W39-G50 WeakPolarHBondContact O-CA 3.38Å
51	Q	97.6	Very high	95.1	Very high	27 Å²	27	38.2 Å²	38.2	13%	0.126	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	138.3	175.7	-174.1	170.9	58.5	0	0	108.7	S9 V10 D11 G38 W39 Q53 F92	S9-Q51 PolarHBondContact OG-NE2 3.03Å; V10-Q51 WeakPolarHBondContact O-CA 3.42Å; D11-Q51 VanDerWaalsContact OD1-CD 3.29Å; D11-Q51 VanDerWaalsContact OD1-CG 3.23Å; D11-Q51 WeakPolarHBondContact OD1-CG 3.32Å; D11-Q51 PolarHBondContact OD1-NE2 3.15Å; G38-Q51 CarbonylContact C-O 3.57Å; G38-Q51 WeakPolarHBondContact CA-O 3.23Å; W39-Q51 HydrophobicContact CZ2-CB 4.44Å; W39-Q51 PolarHBondContact N-O 3.34Å; W39-Q51 PolarHBondContact O-N 2.76Å; Q51-Q53 HydrophobicContact CG-CG 4.42Å; Q51-F92 HydrophobicContact CG-CE2 4.4Å
52	A	97.3	Very high	95.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.1	174.3	0	0	0	0	0	109.4	S9 V10 F12 L36 V37 M62 F95	S9-A52 WeakPolarHBondContact CA-O 3.48Å; V10-A52 HydrophobicContact CG1-CB 4.28Å; V10-A52 PolarHBondContact N-O 2.95Å; V10-A52 PolarHBondContact O-N 3.05Å; F12-A52 HydrophobicContact CE1-CB 4.39Å; L36-A52 HydrophobicContact CD1-CB 4.44Å; V37-A52 CarbonylContact O-C 3.59Å; A52-M62 HydrophobicContact CB-CG 4.41Å; A52-F95 HydrophobicContact CB-CE2 4.2Å
53	Q	96.8	Very high	95.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.7	178.7	-58.9	-171.7	-20.7	0	0	110.6	E8 S9 L36 V37 Q51 I87 L90 E91 F92	E8-Q53 CarbonylContact O-C 3.54Å; E8-Q53 WeakPolarHBondContact O-CA 3.4Å; S9-Q53 WeakPolarHBondContact OG-CG 3.47Å; S9-Q53 PolarHBondContact OG-NE2 3.15Å; S9-Q53 VanDerWaalsContact OG-NE2 3.12Å; L36-Q53 WeakPolarHBondContact CA-O 3.42Å; V37-Q53 HydrophobicContact CG2-CB 3.8Å; V37-Q53 PolarHBondContact N-O 3.07Å; V37-Q53 PolarHBondContact O-N 2.84Å; Q51-Q53 HydrophobicContact CG-CG 4.42Å; Q53-I87 HydrophobicContact CB-CD1 3.88Å; Q53-I87 HydrophobicContact CG-CD1 4.03Å; Q53-L90 HydrophobicContact CB-CD2 4.09Å; Q53-E91 PolarHBondContact NE2-OE2 2.81Å; Q53-F92 HydrophobicContact CG-CD2 4.16Å; Q53-F92 HydrophobicContact CG-CE2 4.18Å
54	G	95.9	Very high	95.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.8	-166.4	178.1	0	0	0	0	0	112.4	L7 E8 A56	L7-G54 CarbonylContact C-O 3.6Å; L7-G54 WeakPolarHBondContact CA-O 3.25Å; E8-G54 PolarHBondContact N-O 3.4Å; E8-G54 PolarHBondContact O-N 2.64Å; G54-A56 PolarHBondContact O-N 2.91Å
55	P	95.6	Very high	95.5	Very high	53 Å²	53	33.5 Å²	33.5	34%	0.344	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	135.7	176.3	-23	33.7	0	0	0	111.2	L7 A57 M58 V59	L7-P55 HydrophobicContact CD2-CG 4.48Å; P55-A57 PolarHBondContact O-N 3.3Å; P55-M58 HydrophobicContact CB-CG 4.32Å; P55-M58 HydrophobicContact CG-CG 4.41Å; P55-M58 PolarHBondContact O-N 3.26Å; P55-V59 PolarHBondContact O-N 2.84Å
56	A	93.3	Very high	95.6	Very high	15 Å²	15	29.4 Å²	29.4	12%	0.124	16%	0.161	C	C	.	.	H	α-helix	trans	-48.7	-41.6	-176.8	0	0	0	0	0	113.4	G6 E8 G54 M58 V59 E60	G6-A56 PolarHBondContact O-N 2.65Å; E8-A56 HydrophobicContact CG-CB 3.89Å; G54-A56 PolarHBondContact O-N 2.91Å; A56-M58 PolarHBondContact O-N 3.46Å; A56-V59 PolarHBondContact O-N 3.31Å; A56-E60 PolarHBondContact O-N 3.43Å
57	A	93.4	Very high	95.7	Very high	34 Å²	34	29.9 Å²	29.9	28%	0.281	16%	0.159	S	C	.	.	H	α-helix	trans	-61.1	-42.3	177.4	0	0	0	0	0	113	A3 P55 E60 E61	A3-A57 HydrophobicContact CB-CB 3.97Å; P55-A57 PolarHBondContact O-N 3.3Å; A57-E60 PolarHBondContact O-N 2.95Å; A57-E61 WeakPolarHBondContact O-CG 3.45Å; A57-E61 PolarHBondContact O-N 2.89Å; A57-E61 VanDerWaalsContact O-N 3.14Å
58	M	95.7	Very high	95.4	Very high	63 Å²	63	36.7 Å²	36.7	31%	0.31	19%	0.188	S	C	.	.	H	α-helix	trans	-73.3	-32.4	178.7	-63.2	-61.5	99.2	0	0	111.4	L34 L36 P55 A56 E61 M62	L34-M58 HydrophobicContact CD2-SD 4.31Å; L34-M58 WeakPolarHBondContact O-CG 3.35Å; L36-M58 HydrophobicContact CD2-CB 3.61Å; L36-M58 HydrophobicContact CG-CB 4.21Å; P55-M58 HydrophobicContact CB-CG 4.32Å; P55-M58 HydrophobicContact CG-CG 4.41Å; P55-M58 PolarHBondContact O-N 3.26Å; A56-M58 PolarHBondContact O-N 3.46Å; M58-E61 HydrophobicContact CE-CG 4.33Å; M58-E61 PolarHBondContact O-N 3.14Å; M58-M62 PolarHBondContact O-N 3.44Å
59	V	95.5	Very high	95.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-41.9	173.4	173.2	0	0	0	0	110.8	E8 V10 L36 P55 A56 M62 K63	E8-V59 HydrophobicContact CB-CG2 4.44Å; V10-V59 HydrophobicContact CB-CG1 4.13Å; V10-V59 HydrophobicContact CG1-CG1 3.44Å; V10-V59 VanDerWaalsContact CG1-CG1 3.44Å; L36-V59 HydrophobicContact CD2-CG2 3.95Å; P55-V59 PolarHBondContact O-N 2.84Å; A56-V59 PolarHBondContact O-N 3.31Å; V59-M62 WeakPolarHBondContact O-CB 3.3Å; V59-M62 PolarHBondContact O-N 3.04Å; V59-K63 HydrophobicContact CG1-CD 4.18Å; V59-K63 VanDerWaalsContact O-CG 3.3Å; V59-K63 WeakPolarHBondContact O-CG 3.14Å; V59-K63 PolarHBondContact O-N 3.45Å
60	E	95	Very high	94.8	Very high	88 Å²	88	41 Å²	41	41%	0.411	21%	0.208	S	C	.	.	H	α-helix	trans	-65.7	-39.5	175	-70.5	-59	137.8	0	0	112.7	A56 A57 M62 K63 F64 Q84	A56-E60 PolarHBondContact O-N 3.43Å; A57-E60 PolarHBondContact O-N 2.95Å; E60-M62 VanDerWaalsContact C-N 3.32Å; E60-M62 PolarHBondContact O-N 2.77Å; E60-K63 WeakPolarHBondContact O-CB 3.07Å; E60-K63 PolarHBondContact O-N 3.39Å; E60-K63 WeakPolarHBondContact OE1-CD 3.32Å; E60-K63 IonicContact OE1-NZ 3.45Å; E60-K63 PolarHBondContact OE1-NZ 3.33Å; E60-K63 IonicContact OE2-NZ 2.72Å; E60-K63 PolarHBondContact OE2-NZ 3.3Å; E60-F64 PolarHBondContact O-N 2.66Å; E60-Q84 PolarHBondContact OE1-NE2 2.92Å
61	E	95.7	Very high	94.4	Very high	104 Å²	104	41 Å²	41	49%	0.486	21%	0.207	S	C	.	.	H	α-helix	trans	-58	-44.1	171.6	-71.4	-74.7	177.4	0	0	111.5	L34 A57 M58 K63 F64 W65	L34-E61 HydrophobicContact CD1-CB 4.13Å; L34-E61 HydrophobicContact CD2-CB 4.14Å; A57-E61 WeakPolarHBondContact O-CG 3.45Å; A57-E61 PolarHBondContact O-N 2.89Å; A57-E61 VanDerWaalsContact O-N 3.14Å; M58-E61 HydrophobicContact CE-CG 4.33Å; M58-E61 PolarHBondContact O-N 3.14Å; E61-K63 PolarHBondContact O-N 2.99Å; E61-F64 WeakPolarHBondContact O-CB 3.42Å; E61-F64 PolarHBondContact O-N 3.05Å; E61-W65 PolarHBondContact O-N 3.3Å
62	M	96.4	Very high	94	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-63.7	-39.9	176	-173.4	65.9	176.2	0	0	112.2	T27 E30 L34 L36 A52 M58 V59 E60 F64 W65 L66 F95	T27-M62 HydrophobicContact CG2-CE 3.49Å; T27-M62 VanDerWaalsContact CG2-CE 3.49Å; E30-M62 HydrophobicContact CB-SD 4.44Å; E30-M62 HydrophobicContact CG-SD 4.01Å; L34-M62 HydrophobicContact CD1-CB 3.88Å; L34-M62 HydrophobicContact CD1-SD 4.09Å; L36-M62 HydrophobicContact CD1-CB 3.45Å; L36-M62 VanDerWaalsContact CD1-CB 3.45Å; L36-M62 HydrophobicContact CD1-CG 3.79Å; L36-M62 HydrophobicContact CD1-SD 4.37Å; A52-M62 HydrophobicContact CB-CG 4.41Å; M58-M62 PolarHBondContact O-N 3.44Å; V59-M62 WeakPolarHBondContact O-CB 3.3Å; V59-M62 PolarHBondContact O-N 3.04Å; E60-M62 VanDerWaalsContact C-N 3.32Å; E60-M62 PolarHBondContact O-N 2.77Å; M62-F64 VanDerWaalsContact C-N 3.34Å; M62-W65 PolarHBondContact O-N 2.94Å; M62-L66 HydrophobicContact CE-CD1 4.11Å; M62-L66 HydrophobicContact CE-CD2 4.31Å; M62-L66 HydrophobicContact CE-CG 4.16Å; M62-L66 HydrophobicContact CG-CD1 3.99Å; M62-L66 HydrophobicContact CG-CG 4.41Å; M62-L66 VanDerWaalsContact O-CB 3.3Å; M62-L66 WeakPolarHBondContact O-CB 3.25Å; M62-L66 VanDerWaalsContact O-CG 3.25Å; M62-L66 WeakPolarHBondContact O-CG 3.3Å; M62-L66 PolarHBondContact O-N 3.19Å; M62-F95 HydrophobicContact CE-CE2 4.21Å; M62-F95 HydrophobicContact CE-CZ 4.07Å
63	K	96.2	Very high	93.7	Very high	27 Å²	27	49.2 Å²	49.2	12%	0.117	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-41.8	175.6	-70.5	168.2	67.7	-172.6	0	111	V10 V59 E60 E61 S67 F81	V10-K63 HydrophobicContact CG1-CD 4.49Å; V10-K63 HydrophobicContact CG2-CD 4.46Å; V59-K63 HydrophobicContact CG1-CD 4.18Å; V59-K63 VanDerWaalsContact O-CG 3.3Å; V59-K63 WeakPolarHBondContact O-CG 3.14Å; V59-K63 PolarHBondContact O-N 3.45Å; E60-K63 WeakPolarHBondContact O-CB 3.07Å; E60-K63 PolarHBondContact O-N 3.39Å; E60-K63 WeakPolarHBondContact OE1-CD 3.32Å; E60-K63 IonicContact OE1-NZ 3.45Å; E60-K63 PolarHBondContact OE1-NZ 3.33Å; E60-K63 IonicContact OE2-NZ 2.72Å; E60-K63 PolarHBondContact OE2-NZ 3.3Å; E61-K63 PolarHBondContact O-N 2.99Å; K63-S67 WeakPolarHBondContact O-CB 3.48Å; K63-S67 PolarHBondContact O-N 3.22Å; K63-S67 PolarHBondContact O-OG 3.01Å; K63-F81 HydrophobicContact CB-CD1 4.42Å; K63-F81 HydrophobicContact CB-CD2 4.49Å; K63-F81 HydrophobicContact CB-CE1 3.93Å; K63-F81 HydrophobicContact CB-CE2 3.99Å; K63-F81 HydrophobicContact CB-CZ 3.69Å; K63-F81 HydrophobicContact CD-CD1 4.36Å; K63-F81 HydrophobicContact CD-CG 4.37Å; K63-F81 HydrophobicContact CG-CD1 3.71Å; K63-F81 HydrophobicContact CG-CD2 4.37Å; K63-F81 HydrophobicContact CG-CE1 3.61Å; K63-F81 HydrophobicContact CG-CE2 4.27Å; K63-F81 HydrophobicContact CG-CG 4.1Å; K63-F81 HydrophobicContact CG-CZ 3.9Å; K63-F81 WeakPolarHBondContact O-CZ 3.31Å
64	F	95.7	Very high	93.4	Very high	114 Å²	114	50.2 Å²	50.2	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-52.2	175.1	-179.6	-96.5	0	0	0	110.9	E60 E61 M62 L66 S67 K68	E60-F64 PolarHBondContact O-N 2.66Å; E61-F64 WeakPolarHBondContact O-CB 3.42Å; E61-F64 PolarHBondContact O-N 3.05Å; M62-F64 VanDerWaalsContact C-N 3.34Å; F64-L66 PolarHBondContact O-N 2.89Å; F64-S67 PolarHBondContact O-N 2.72Å; F64-S67 PolarHBondContact O-OG 2.82Å; F64-K68 HydrophobicContact CD2-CG 4.41Å; F64-K68 HydrophobicContact CE2-CG 4.02Å; F64-K68 HydrophobicContact CZ-CG 4.07Å; F64-K68 PolarHBondContact O-N 3.16Å; F64-K68 VanDerWaalsContact O-N 3.12Å
65	W	95.8	Very high	93.3	Very high	15 Å²	15	58.1 Å²	58.1	6%	0.057	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-46.4	179.3	-173.4	90.1	0	0	0	112.7	E30 E61 M62 S67 K68 E69 G70	E30-W65 HydrophobicContact CB-CD2 4.23Å; E30-W65 HydrophobicContact CB-CE3 4.36Å; E30-W65 HydrophobicContact CB-CH2 4.41Å; E30-W65 HydrophobicContact CB-CZ2 4.25Å; E30-W65 HydrophobicContact CB-CZ3 4.46Å; E30-W65 HydrophobicContact CG-CB 4.44Å; E30-W65 HydrophobicContact CG-CD2 3.68Å; E30-W65 HydrophobicContact CG-CE3 4.11Å; E30-W65 HydrophobicContact CG-CG 3.8Å; E30-W65 HydrophobicContact CG-CZ2 4.48Å; E61-W65 PolarHBondContact O-N 3.3Å; M62-W65 PolarHBondContact O-N 2.94Å; W65-S67 PolarHBondContact O-N 2.86Å; W65-K68 PolarHBondContact O-N 2.72Å; W65-E69 VanDerWaalsContact CD1-CD 3.45Å; W65-E69 HydrophobicContact CD2-CB 4.35Å; W65-E69 HydrophobicContact CG-CB 4.11Å; W65-E69 PolarHBondContact NE1-OE2 2.83Å; W65-E69 VanDerWaalsContact NE1-OE2 3.15Å; W65-E69 PolarHBondContact O-N 3.07Å; W65-G70 VanDerWaalsContact CH2-CA 3.45Å; W65-G70 VanDerWaalsContact CZ2-C 3.47Å; W65-G70 WeakPolarHBondContact CZ2-O 3.28Å; W65-G70 PolarHBondContact O-N 3.28Å
66	L	94.9	Very high	93.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63.5	-19.7	177.1	-77	172.3	0	0	0	113.7	F12 I14 F23 T27 M62 F64 I76 F81	F12-L66 HydrophobicContact CB-CD1 4.14Å; F12-L66 HydrophobicContact CD1-CD1 3.87Å; F12-L66 HydrophobicContact CD2-CD1 3.98Å; F12-L66 HydrophobicContact CD2-CD2 4.49Å; F12-L66 HydrophobicContact CE1-CD1 4.21Å; F12-L66 HydrophobicContact CE2-CD1 4.31Å; F12-L66 HydrophobicContact CE2-CD2 4.38Å; F12-L66 HydrophobicContact CG-CD1 3.74Å; F12-L66 HydrophobicContact CZ-CD1 4.41Å; I14-L66 HydrophobicContact CD1-CB 3.89Å; I14-L66 HydrophobicContact CD1-CD2 4.23Å; I14-L66 HydrophobicContact CD1-CG 4.46Å; I14-L66 HydrophobicContact CG1-CD2 4.14Å; F23-L66 HydrophobicContact CE1-CD2 4.03Å; F23-L66 HydrophobicContact CZ-CD2 4.22Å; T27-L66 HydrophobicContact CG2-CD2 4.12Å; M62-L66 HydrophobicContact CE-CD1 4.11Å; M62-L66 HydrophobicContact CE-CD2 4.31Å; M62-L66 HydrophobicContact CE-CG 4.16Å; M62-L66 HydrophobicContact CG-CD1 3.99Å; M62-L66 HydrophobicContact CG-CG 4.41Å; M62-L66 VanDerWaalsContact O-CB 3.3Å; M62-L66 WeakPolarHBondContact O-CB 3.25Å; M62-L66 VanDerWaalsContact O-CG 3.25Å; M62-L66 WeakPolarHBondContact O-CG 3.3Å; M62-L66 PolarHBondContact O-N 3.19Å; F64-L66 PolarHBondContact O-N 2.89Å; L66-I76 WeakPolarHBondContact O-CD1 3.49Å; L66-F81 HydrophobicContact CB-CE1 4.34Å; L66-F81 HydrophobicContact CB-CZ 4.18Å; L66-F81 HydrophobicContact CD1-CE1 4.07Å
67	S	93.3	Very high	93.3	Very high	40 Å²	40	61.1 Å²	61.1	28%	0.28	31%	0.313	S	S	.	.	H	α-helix	trans	-96	-20.2	179.7	75.4	0	0	0	0	114.1	K63 F64 W65	K63-S67 WeakPolarHBondContact O-CB 3.48Å; K63-S67 PolarHBondContact O-N 3.22Å; K63-S67 PolarHBondContact O-OG 3.01Å; F64-S67 PolarHBondContact O-N 2.72Å; F64-S67 PolarHBondContact O-OG 2.82Å; W65-S67 PolarHBondContact O-N 2.86Å
68	K	89.4	Confident	93.3	Very high	151 Å²	151	66 Å²	66	66%	0.657	32%	0.324	S	S	*	.	H	α-helix	trans	-126.7	-38.4	-170.4	-63.8	-60.1	179.3	179.1	0	115.2	F64 W65	F64-K68 HydrophobicContact CD2-CG 4.41Å; F64-K68 HydrophobicContact CE2-CG 4.02Å; F64-K68 HydrophobicContact CZ-CG 4.07Å; F64-K68 PolarHBondContact O-N 3.16Å; F64-K68 VanDerWaalsContact O-N 3.12Å; W65-K68 PolarHBondContact O-N 2.72Å
69	E	90.3	Very high	93.4	Very high	115 Å²	115	64.3 Å²	64.3	54%	0.537	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-66.8	-169.1	-70.3	-175.6	-142.3	0	0	111.6	W65	W65-E69 VanDerWaalsContact CD1-CD 3.45Å; W65-E69 HydrophobicContact CD2-CB 4.35Å; W65-E69 HydrophobicContact CG-CB 4.11Å; W65-E69 PolarHBondContact NE1-OE2 2.83Å; W65-E69 VanDerWaalsContact NE1-OE2 3.15Å; W65-E69 PolarHBondContact O-N 3.07Å
70	G	89.9	Confident	93.5	Very high	8 Å²	8	70.7 Å²	70.7	8%	0.082	34%	0.344	C	S	.	.	S	Bend	trans	57.2	-153.9	-175	0	0	0	0	0	113.2	W65	W65-G70 VanDerWaalsContact CH2-CA 3.45Å; W65-G70 VanDerWaalsContact CZ2-C 3.47Å; W65-G70 WeakPolarHBondContact CZ2-O 3.28Å; W65-G70 PolarHBondContact O-N 3.28Å
71	S	89.6	Confident	93.6	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.007	34%	0.336	C	S	.	.	S	Bend	trans	-78.9	151.4	172.2	54.4	0	0	0	0	111.7	V21 Y26 T73 S74	V21-S71 VanDerWaalsContact O-CB 3.3Å; V21-S71 WeakPolarHBondContact O-CB 3.45Å; V21-S71 PolarHBondContact O-OG 3.08Å; V21-S71 VanDerWaalsContact O-OG 3.05Å; Y26-S71 VanDerWaalsContact CD2-CB 3.48Å; S71-T73 PolarHBondContact O-N 3.16Å; S71-S74 PolarHBondContact N-OG 2.9Å; S71-S74 VanDerWaalsContact N-OG 3.07Å; S71-S74 WeakPolarHBondContact O-CB 3.36Å; S71-S74 PolarHBondContact O-N 2.98Å; S71-S74 PolarHBondContact O-OG 3.26Å; S71-S74 WeakPolarHBondContact OG-CB 3.48Å; S71-S74 PolarHBondContact OG-OG 3.12Å
72	P	88.2	Confident	93.6	Very high	104 Å²	104	66.7 Å²	66.7	68%	0.675	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-30.9	-175.2	-28.8	35.3	0	0	0	116	Y26	Y26-P72 HydrophobicContact CE1-CG 4.09Å; Y26-P72 VanDerWaalsContact CZ-CD 3.4Å
73	T	90.3	Very high	93.5	Very high	98 Å²	98	71.7 Å²	71.7	60%	0.601	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	1.9	-180	52.6	0	0	0	0	113.3	V21 S71	V21-T73 WeakPolarHBondContact CB-OG1 3.4Å; S71-T73 PolarHBondContact O-N 3.16Å
74	S	92.1	Very high	93.5	Very high	21 Å²	21	74.4 Å²	74.4	15%	0.147	37%	0.368	C	S	.	.			trans	-82.3	155.3	176.2	64.7	0	0	0	0	112.6	H17 S71	H17-S74 CarbonylContact O-C 3.49Å; H17-S74 WeakPolarHBondContact O-CA 3.41Å; H17-S74 VanDerWaalsContact O-CB 3.26Å; H17-S74 WeakPolarHBondContact O-CB 3.37Å; S71-S74 PolarHBondContact N-OG 2.9Å; S71-S74 VanDerWaalsContact N-OG 3.07Å; S71-S74 WeakPolarHBondContact O-CB 3.36Å; S71-S74 PolarHBondContact O-N 2.98Å; S71-S74 PolarHBondContact O-OG 3.26Å; S71-S74 WeakPolarHBondContact OG-CB 3.48Å; S71-S74 PolarHBondContact OG-OG 3.12Å
75	R	93.1	Very high	93.4	Very high	166 Å²	166	73.8 Å²	73.8	63%	0.626	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	103.5	169.6	-173.5	173.9	66.3	-109	2.8	109.1	G16 H17	G16-R75 CarbonylContact C-O 3.59Å; G16-R75 VanDerWaalsContact CA-O 3.31Å; G16-R75 WeakPolarHBondContact CA-O 3.3Å; H17-R75 HydrophobicContact CB-CB 4.06Å; H17-R75 PolarHBondContact N-O 3.17Å; H17-R75 PolarHBondContact O-N 2.77Å
76	I	94.7	Very high	93.3	Very high	34 Å²	34	78.3 Å²	78.3	17%	0.174	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.5	176.8	-59.8	162.2	0	0	0	108.2	I14 V18 F23 L66	I14-I76 HydrophobicContact CG2-CB 4.43Å; I14-I76 HydrophobicContact CG2-CG1 3.95Å; I14-I76 HydrophobicContact CG2-CG2 3.79Å; V18-I76 HydrophobicContact CG1-CG1 4.44Å; F23-I76 HydrophobicContact CE2-CD1 4.01Å; F23-I76 HydrophobicContact CE2-CG1 4.01Å; F23-I76 HydrophobicContact CZ-CD1 4.19Å; F23-I76 HydrophobicContact CZ-CG1 4.38Å; L66-I76 WeakPolarHBondContact O-CD1 3.49Å
77	T	94.3	Very high	93.3	Very high	98 Å²	98	79.3 Å²	79.3	60%	0.601	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	-31.3	174.7	56.6	0	0	0	0	111.6	F15 G16	F15-T77 VanDerWaalsContact C-OG1 3.3Å; F15-T77 PolarHBondContact O-N 3.46Å; F15-T77 PolarHBondContact O-OG1 3.43Å; G16-T77 WeakPolarHBondContact CA-OG1 3.34Å; G16-T77 PolarHBondContact N-OG1 3.45Å
78	R	94.4	Very high	93.2	Very high	136 Å²	136	85.6 Å²	85.6	51%	0.513	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	139.3	178.8	-176	174.2	66.7	154	-0.5	109.8	F15	F15-R78 HydrophobicContact CB-CB 4.08Å; F15-R78 HydrophobicContact CD2-CB 4.07Å; F15-R78 HydrophobicContact CD2-CG 4.21Å; F15-R78 WeakPolarHBondContact CD2-O 3.27Å; F15-R78 HydrophobicContact CG-CB 4.35Å; F15-R78 PolarHBondContact N-O 3.17Å; F15-R78 PolarHBondContact O-N 2.85Å
79	A	96.6	Very high	93.4	Very high	27 Å²	27	85.7 Å²	85.7	22%	0.223	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.3	166	0	0	0	0	0	108.3	I14 F81	I14-A79 HydrophobicContact CD1-CB 3.68Å; A79-F81 HydrophobicContact CB-CE2 3.85Å; A79-F81 HydrophobicContact CB-CZ 3.82Å
80	R	97.3	Very high	93.5	Very high	134 Å²	134	83.8 Å²	83.8	51%	0.506	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.5	175.7	-174.5	-176.4	-176.3	-178.3	1.6	108.2	F12 E13 F15 T82	F12-R80 CarbonylContact C-O 3.58Å; F12-R80 VanDerWaalsContact CA-O 3.31Å; F12-R80 WeakPolarHBondContact CA-O 3.32Å; E13-R80 HydrophobicContact CB-CB 4.45Å; E13-R80 PolarHBondContact N-O 3.25Å; E13-R80 PolarHBondContact O-N 3.47Å; F15-R80 HydrophobicContact CE2-CB 3.98Å; R80-T82 HydrophobicContact CG-CG2 4.15Å
81	F	97.2	Very high	93.6	Very high	59 Å²	59	89 Å²	89	26%	0.259	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.5	175.2	-56.2	-72.7	0	0	0	108.9	V10 D11 F12 K63 L66 A79	V10-F81 HydrophobicContact CG2-CB 3.97Å; V10-F81 HydrophobicContact CG2-CD1 4.33Å; D11-F81 CarbonylContact O-C 3.6Å; D11-F81 WeakPolarHBondContact O-CA 3.32Å; F12-F81 HydrophobicContact CB-CD1 3.69Å; F12-F81 HydrophobicContact CB-CE1 3.74Å; K63-F81 HydrophobicContact CB-CD1 4.42Å; K63-F81 HydrophobicContact CB-CD2 4.49Å; K63-F81 HydrophobicContact CB-CE1 3.93Å; K63-F81 HydrophobicContact CB-CE2 3.99Å; K63-F81 HydrophobicContact CB-CZ 3.69Å; K63-F81 HydrophobicContact CD-CD1 4.36Å; K63-F81 HydrophobicContact CD-CG 4.37Å; K63-F81 HydrophobicContact CG-CD1 3.71Å; K63-F81 HydrophobicContact CG-CD2 4.37Å; K63-F81 HydrophobicContact CG-CE1 3.61Å; K63-F81 HydrophobicContact CG-CE2 4.27Å; K63-F81 HydrophobicContact CG-CG 4.1Å; K63-F81 HydrophobicContact CG-CZ 3.9Å; K63-F81 WeakPolarHBondContact O-CZ 3.31Å; L66-F81 HydrophobicContact CB-CE1 4.34Å; L66-F81 HydrophobicContact CB-CZ 4.18Å; L66-F81 HydrophobicContact CD1-CE1 4.07Å; A79-F81 HydrophobicContact CB-CE2 3.85Å; A79-F81 HydrophobicContact CB-CZ 3.82Å
82	T	96.8	Very high	93.8	Very high	50 Å²	50	91.4 Å²	91.4	31%	0.307	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	166.5	-177.4	49.9	0	0	0	0	110.3	D11 R80 Q84	D11-T82 WeakPolarHBondContact CB-O 3.37Å; D11-T82 PolarHBondContact N-O 3.38Å; D11-T82 PolarHBondContact O-N 3.12Å; R80-T82 HydrophobicContact CG-CG2 4.15Å; T82-Q84 PolarHBondContact O-N 3.01Å
83	N	94.6	Very high	93.8	Very high	107 Å²	107	91.1 Å²	91.1	57%	0.572	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.2	31.2	175.7	-54.8	-34.1	0	0	0	113.5	D11 K85	D11-N83 HydrophobicContact CB-CB 4.36Å; D11-N83 WeakPolarHBondContact OD2-CB 3.2Å; D11-N83 PolarHBondContact OD2-ND2 2.73Å; N83-K85 PolarHBondContact O-N 3.39Å
84	Q	94.6	Very high	93.9	Very high	84 Å²	84	87.8 Å²	87.8	39%	0.393	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.1	173.5	-173.9	166.1	-2.9	0	0	108.6	E8 S9 V10 E60 T82	E8-Q84 PolarHBondContact OE2-NE2 2.99Å; S9-Q84 CarbonylContact O-C 3.52Å; S9-Q84 VanDerWaalsContact O-CA 3.25Å; S9-Q84 WeakPolarHBondContact O-CA 3.34Å; V10-Q84 HydrophobicContact CB-CB 4.47Å; V10-Q84 HydrophobicContact CG2-CB 4.11Å; E60-Q84 PolarHBondContact OE1-NE2 2.92Å; T82-Q84 PolarHBondContact O-N 3.01Å
85	K	94.1	Very high	94.1	Very high	101 Å²	101	86.9 Å²	86.9	44%	0.439	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	147.6	-178.3	63.4	-178.4	-178.6	174.8	0	111.1	E8 S9 N83 I87	E8-K85 CarbonylContact C-O 3.56Å; E8-K85 WeakPolarHBondContact CA-O 3.38Å; S9-K85 PolarHBondContact N-O 3.37Å; S9-K85 PolarHBondContact O-N 3.36Å; N83-K85 PolarHBondContact O-N 3.39Å; K85-I87 HydrophobicContact CG-CG2 4.26Å
86	P	94.9	Very high	94.2	Very high	110 Å²	110	84.8 Å²	84.8	71%	0.714	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	146.8	165.9	29.4	-33.9	0	0	0	110	L7	L7-P86 WeakPolarHBondContact O-CA 3.44Å
87	I	94	Very high	94.1	Very high	21 Å²	21	84.8 Å²	84.8	11%	0.108	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.7	176.2	63.2	-178.9	0	0	0	109.8	L7 Q53 K85 K89 L90	L7-I87 HydrophobicContact CB-CD1 4.17Å; L7-I87 HydrophobicContact CB-CG1 3.53Å; L7-I87 WeakPolarHBondContact CB-O 3.44Å; L7-I87 PolarHBondContact O-N 3.39Å; Q53-I87 HydrophobicContact CB-CD1 3.88Å; Q53-I87 HydrophobicContact CG-CD1 4.03Å; K85-I87 HydrophobicContact CG-CG2 4.26Å; I87-K89 WeakPolarHBondContact CD1-O 3.14Å; I87-L90 HydrophobicContact CD1-CD2 4.3Å
88	D	91.6	Very high	94	Very high	172 Å²	172	85.2 Å²	85.2	92%	0.92	42%	0.424	S	S	*	.	S	Bend	trans	-81.7	-24.9	179.2	-58.3	-41.6	0	0	0	112.4
89	K	92.3	Very high	93.3	Very high	154 Å²	154	88.4 Å²	88.4	67%	0.67	44%	0.442	S	S	*	.	S	Bend	trans	-150.9	156.3	-179.2	66.5	-179.3	-178.6	-178.4	0	111.3	I87	I87-K89 WeakPolarHBondContact CD1-O 3.14Å
90	L	92.9	Very high	93.1	Very high	74 Å²	74	91.5 Å²	91.5	39%	0.387	45%	0.453	S	S	.	.			trans	-69.9	132.6	172	-60.5	-177.8	0	0	0	110.6	L7 V37 Q53 I87	L7-L90 HydrophobicContact CD1-CD2 4.09Å; L7-L90 HydrophobicContact CD1-CG 4.22Å; L7-L90 HydrophobicContact CD2-CD2 4.15Å; V37-L90 HydrophobicContact CG1-CD1 4.13Å; V37-L90 HydrophobicContact CG2-CB 4.05Å; V37-L90 HydrophobicContact CG2-CD1 4.1Å; V37-L90 HydrophobicContact CG2-CD2 3.9Å; V37-L90 HydrophobicContact CG2-CG 4.23Å; Q53-L90 HydrophobicContact CB-CD2 4.09Å; I87-L90 HydrophobicContact CD1-CD2 4.3Å
91	E	92.2	Very high	92.9	Very high	117 Å²	117	89.2 Å²	89.2	55%	0.547	45%	0.45	S	S	.	.			trans	-94.6	-9.5	-179.2	-60.8	-178.8	111.3	0	0	112.7	Q53	Q53-E91 PolarHBondContact NE2-OE2 2.81Å
92	F	93	Very high	92.6	Very high	53 Å²	53	90.9 Å²	90.9	23%	0.232	46%	0.461	C	S	.	.	S	Bend	trans	-123	152.3	-177.1	-54.1	-72.2	0	0	0	112.7	V37 W39 Q51 Q53	V37-F92 HydrophobicContact CB-CB 4.03Å; V37-F92 HydrophobicContact CG2-CB 3.98Å; W39-F92 AromaticContact CD1-CZ 3.89Å; Q51-F92 HydrophobicContact CG-CE2 4.4Å; Q53-F92 HydrophobicContact CG-CD2 4.16Å; Q53-F92 HydrophobicContact CG-CE2 4.18Å
93	S	89.1	Confident	92.4	Very high	98 Å²	98	93.3 Å²	93.3	69%	0.685	47%	0.47	S	S	*	.	S	Bend	trans	-103.6	101.1	169	48.2	0	0	0	0	110	K96	S93-K96 WeakPolarHBondContact O-CE 3.31Å
94	G	92.7	Very high	92.3	Very high	27 Å²	27	92.4 Å²	92.4	28%	0.278	46%	0.464	S	S	.	.	S	Bend	trans	77.3	-175	-177.1	0	0	0	0	0	113.7	V37 G38	V37-G94 WeakPolarHBondContact CA-O 3.46Å; V37-G94 WeakPolarHBondContact CB-O 3.26Å; G38-G94 PolarHBondContact N-O 3.42Å
95	F	95.6	Very high	92.1	Very high	3 Å²	3	93 Å²	93	1%	0.013	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.7	175.5	-154.1	-69.6	0	0	0	108.6	F12 T27 E28 L32 L36 G38 V40 A52 M62	F12-F95 HydrophobicContact CE1-CZ 4.4Å; F12-F95 HydrophobicContact CZ-CZ 4.36Å; T27-F95 HydrophobicContact CG2-CE1 4.01Å; T27-F95 HydrophobicContact CG2-CZ 3.99Å; E28-F95 HydrophobicContact CB-CD1 4.22Å; E28-F95 HydrophobicContact CG-CD1 4.36Å; E28-F95 WeakPolarHBondContact CG-O 3.29Å; L32-F95 HydrophobicContact CD2-CB 4Å; L32-F95 HydrophobicContact CG-CB 4.07Å; L36-F95 HydrophobicContact CB-CD2 4.49Å; G38-F95 WeakPolarHBondContact O-CA 3.14Å; V40-F95 HydrophobicContact CB-CE1 4.05Å; V40-F95 HydrophobicContact CG1-CE1 4.06Å; A52-F95 HydrophobicContact CB-CE2 4.2Å; M62-F95 HydrophobicContact CE-CE2 4.21Å; M62-F95 HydrophobicContact CE-CZ 4.07Å
96	K	94.7	Very high	92	Very high	121 Å²	121	92.4 Å²	92.4	53%	0.526	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.3	-173.3	-62	-176.5	-176.4	177.8	0	113.7	G38 W39 V40 S93	G38-K96 PolarHBondContact O-N 3.16Å; W39-K96 WeakPolarHBondContact CA-O 3.48Å; W39-K96 WeakPolarHBondContact CB-O 3.4Å; V40-K96 PolarHBondContact N-O 2.87Å; V40-K96 VanDerWaalsContact N-O 3.15Å; S93-K96 WeakPolarHBondContact O-CE 3.31Å
97	T	93.6	Very high	91.7	Very high	35 Å²	35	91.1 Å²	91.1	22%	0.215	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.8	167.2	-60.5	0	0	0	0	111.4	R24 E28	R24-T97 HydrophobicContact CB-CG2 3.85Å; R24-T97 HydrophobicContact CG-CG2 4.38Å; E28-T97 WeakPolarHBondContact OE2-CB 3.2Å; E28-T97 PolarHBondContact OE2-N 3.3Å; E28-T97 PolarHBondContact OE2-OG1 3.49Å
98	R	91.9	Very high	91.6	Very high	106 Å²	106	96.9 Å²	96.9	40%	0.4	48%	0.48	S	S	.	.			trans	-102.7	154.4	171.3	-65	-176.4	-176.2	176	1	110.7	W39 V40 K41	W39-R98 HydrophobicContact CB-CG 4.08Å; W39-R98 VanDerWaalsContact CD1-CZ 3.43Å; W39-R98 VanDerWaalsContact CD1-NH2 3.32Å; W39-R98 HydrophobicContact CE3-CG 4.31Å; V40-R98 PolarHBondContact O-N 3.36Å; K41-R98 HydrophobicContact CB-CB 4.14Å; K41-R98 HydrophobicContact CG-CB 4.21Å
99	F	79.3	Confident	91.6	Very high	203 Å²	203	90.1 Å²	90.1	89%	0.89	44%	0.44	S	S	*	.			trans	-107.3	0	177.2	-57.8	-81.4	0	0	0	110.5	K41	K41-F99 VanDerWaalsContact CE-OXT 3.26Å; K41-F99 WeakPolarHBondContact CE-OXT 3.4Å; K41-F99 VanDerWaalsContact NZ-C 3.27Å; K41-F99 PolarHBondContact NZ-O 2.81Å; K41-F99 PolarHBondContact NZ-OXT 2.82Å; K41-F99 VanDerWaalsContact NZ-OXT 3.08Å

Retrieved 99 of 99 residues in 316.8 ms (Link to these results)

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