A0A087WST3_MOUSE Loading...

Abhydrolase domain containing 17A

AlphaFold DB , UniProt , Accession A0A087WST3, Species MOUSE (Mus musculus, Mouse), Gene Abhd17a, Length 176 aa.

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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	D	44.8	Very low	62.2	Low	209 Å²	209	111.7 Å²	111.7	100%	1.118	55%	0.548	S	S	*	.				0	128.2	0	-57.5	-25.7	0	0	0	110.3	Q3	D1-Q3 PolarHBondContact O-N 3.16Å
2	F	47.2	Very low	64.2	Low	109 Å²	109	104.4 Å²	104.4	48%	0.478	51%	0.512	S	S	.	.			trans	-64.1	130.8	177	-168.5	-114.4	0	0	0	108.6	Y4 L9	F2-Y4 HydrophobicContact CD1-CD2 4.24Å; F2-Y4 AromaticContact CE1-CD2 3.72Å; F2-Y4 HydrophobicContact CE1-CD2 3.72Å; F2-Y4 HydrophobicContact CE1-CG 4.12Å; F2-Y4 HydrophobicContact CE2-CD2 4.36Å; F2-Y4 AromaticContact CZ-CD2 3.79Å; F2-Y4 HydrophobicContact CZ-CD2 3.79Å; F2-Y4 PolarHBondContact O-N 2.86Å; F2-L9 HydrophobicContact CD1-CD2 3.96Å; F2-L9 HydrophobicContact CD1-CG 4.45Å; F2-L9 HydrophobicContact CE1-CD2 3.39Å; F2-L9 HydrophobicContact CE1-CG 4.14Å; F2-L9 HydrophobicContact CZ-CD2 4.2Å
3	Q	55.1	Low	65.8	Low	169 Å²	169	103.2 Å²	103.2	79%	0.79	51%	0.505	S	S	*	.	S	Bend	trans	-75.3	8.9	-168	-70.2	-178.6	-16.4	0	0	114.7	D1	D1-Q3 PolarHBondContact O-N 3.16Å
4	Y	60.8	Low	67.5	Low	53 Å²	53	101.9 Å²	101.9	21%	0.208	51%	0.506	C	S	.	.	S	Bend	trans	-123.9	142.1	-171.4	-66	-68.9	0	0	0	111.7	F2 E8 S55	F2-Y4 HydrophobicContact CD1-CD2 4.24Å; F2-Y4 AromaticContact CE1-CD2 3.72Å; F2-Y4 HydrophobicContact CE1-CD2 3.72Å; F2-Y4 HydrophobicContact CE1-CG 4.12Å; F2-Y4 HydrophobicContact CE2-CD2 4.36Å; F2-Y4 AromaticContact CZ-CD2 3.79Å; F2-Y4 HydrophobicContact CZ-CD2 3.79Å; F2-Y4 PolarHBondContact O-N 2.86Å; Y4-E8 WeakPolarHBondContact CA-OE2 3.07Å; Y4-E8 HydrophobicContact CD1-CB 4.23Å; Y4-E8 HydrophobicContact CD1-CG 4.24Å; Y4-E8 HydrophobicContact CG-CB 4.4Å; Y4-S55 WeakPolarHBondContact CE2-OG 3.37Å; Y4-S55 WeakPolarHBondContact OH-CA 3.39Å; Y4-S55 WeakPolarHBondContact OH-CB 3.21Å; Y4-S55 PolarHBondContact OH-OG 3.47Å
5	G	65.6	Low	69	Low	40 Å²	40	99.3 Å²	99.3	41%	0.412	49%	0.49	S	S	.	.			trans	-77.2	167.4	176	0	0	0	0	0	112.5	R7 E8 L9	G5-R7 PolarHBondContact O-N 3.02Å; G5-R7 VanDerWaalsContact O-N 3.08Å; G5-E8 PolarHBondContact N-OE2 2.78Å; G5-E8 PolarHBondContact O-N 3.12Å; G5-L9 PolarHBondContact O-N 3.24Å
6	Q	62.8	Low	70.5	Confident	132 Å²	132	98.1 Å²	98.1	62%	0.617	49%	0.49	S	S	*	.	H	α-helix	trans	-53.3	-34.6	-178.4	-170.8	60.3	53.4	0	0	113.5	E8 L9 D10	Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 3.43Å; Q6-L9 WeakPolarHBondContact O-CB 3.44Å; Q6-L9 PolarHBondContact O-N 3.44Å; Q6-D10 PolarHBondContact NE2-OD1 2.79Å; Q6-D10 PolarHBondContact O-N 2.81Å
7	R	62	Low	71.7	Confident	217 Å²	217	94 Å²	94	82%	0.819	47%	0.471	S	S	*	.	H	α-helix	trans	-64.1	-31.6	178.4	-76	-176.9	177.6	169.5	-0.3	114.1	G5	G5-R7 PolarHBondContact O-N 3.02Å; G5-R7 VanDerWaalsContact O-N 3.08Å
8	E	65.4	Low	72.9	Confident	78 Å²	78	96.8 Å²	96.8	36%	0.364	48%	0.48	S	S	.	.	H	α-helix	trans	-80.8	-31.6	178.1	-72	143.8	145.5	0	0	110.6	Y4 G5 Q6 D10 T11 I12	Y4-E8 WeakPolarHBondContact CA-OE2 3.07Å; Y4-E8 HydrophobicContact CD1-CB 4.23Å; Y4-E8 HydrophobicContact CD1-CG 4.24Å; Y4-E8 HydrophobicContact CG-CB 4.4Å; G5-E8 PolarHBondContact N-OE2 2.78Å; G5-E8 PolarHBondContact O-N 3.12Å; Q6-E8 VanDerWaalsContact C-N 3.31Å; Q6-E8 PolarHBondContact O-N 3.43Å; E8-D10 VanDerWaalsContact C-N 3.31Å; E8-D10 PolarHBondContact O-N 2.85Å; E8-T11 PolarHBondContact O-N 3.01Å; E8-T11 PolarHBondContact O-OG1 3.45Å; E8-I12 VanDerWaalsContact O-CD1 3.29Å; E8-I12 WeakPolarHBondContact O-CD1 3.33Å; E8-I12 WeakPolarHBondContact O-CG1 3.41Å
9	L	69.1	Low	74	Confident	71 Å²	71	92.1 Å²	92.1	37%	0.372	46%	0.457	S	S	.	.	H	α-helix	trans	-63.8	-37.1	170.2	-70.4	171.6	0	0	0	111.9	F2 G5 Q6 T11 I12	F2-L9 HydrophobicContact CD1-CD2 3.96Å; F2-L9 HydrophobicContact CD1-CG 4.45Å; F2-L9 HydrophobicContact CE1-CD2 3.39Å; F2-L9 HydrophobicContact CE1-CG 4.14Å; F2-L9 HydrophobicContact CZ-CD2 4.2Å; G5-L9 PolarHBondContact O-N 3.24Å; Q6-L9 WeakPolarHBondContact O-CB 3.44Å; Q6-L9 PolarHBondContact O-N 3.44Å; L9-T11 PolarHBondContact O-N 3.33Å; L9-I12 PolarHBondContact O-N 3.33Å; L9-I12 VanDerWaalsContact O-N 3.07Å; L9-I12 VanDerWaalsContact O-O 3.05Å
10	D	73.3	Confident	74.8	Confident	102 Å²	102	92.7 Å²	92.7	55%	0.545	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.3	179.8	-60.4	-20.8	0	0	0	113.1	Q6 E8	Q6-D10 PolarHBondContact NE2-OD1 2.79Å; Q6-D10 PolarHBondContact O-N 2.81Å; E8-D10 VanDerWaalsContact C-N 3.31Å; E8-D10 PolarHBondContact O-N 2.85Å
11	T	78.4	Confident	75.7	Confident	49 Å²	49	94.7 Å²	94.7	30%	0.301	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.6	176.2	65.9	0	0	0	0	113.2	E8 L9 R31	E8-T11 PolarHBondContact O-N 3.01Å; E8-T11 PolarHBondContact O-OG1 3.45Å; L9-T11 PolarHBondContact O-N 3.33Å; T11-R31 WeakPolarHBondContact CB-O 3.45Å; T11-R31 WeakPolarHBondContact O-CB 3.45Å; T11-R31 PolarHBondContact O-N 3.32Å
12	I	85.6	Confident	78	Confident	24 Å²	24	87.6 Å²	87.6	12%	0.123	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.2	-178.2	-61.6	162.2	0	0	0	109	E8 L9 V14 M28 Y29 V30 C54	E8-I12 VanDerWaalsContact O-CD1 3.29Å; E8-I12 WeakPolarHBondContact O-CD1 3.33Å; E8-I12 WeakPolarHBondContact O-CG1 3.41Å; L9-I12 PolarHBondContact O-N 3.33Å; L9-I12 VanDerWaalsContact O-N 3.07Å; L9-I12 VanDerWaalsContact O-O 3.05Å; I12-V14 HydrophobicContact CG2-CG2 3.96Å; I12-M28 HydrophobicContact CG2-CE 4.2Å; I12-M28 HydrophobicContact CG2-CG 3.73Å; I12-M28 HydrophobicContact CG2-SD 4.07Å; I12-Y29 WeakPolarHBondContact CA-O 3.27Å; I12-V30 HydrophobicContact CG1-CG1 4.08Å; I12-V30 HydrophobicContact CG1-CG2 4.32Å; I12-C54 WeakPolarHBondContact CD1-SG 3.39Å
13	E	85.4	Confident	80.4	Confident	89 Å²	89	83.4 Å²	83.4	42%	0.416	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123	174.5	-173.6	177.2	162.1	0	0	108.9	F15 M28 Y29 R31	E13-F15 HydrophobicContact CG-CD1 4.39Å; E13-M28 CarbonylContact O-C 3.29Å; E13-M28 WeakPolarHBondContact O-CA 3.48Å; E13-Y29 PolarHBondContact N-O 3.34Å; E13-Y29 PolarHBondContact O-N 2.84Å; E13-R31 IonicContact OE2-CZ 3.23Å; E13-R31 IonicContact OE2-NH1 2.85Å; E13-R31 PolarHBondContact OE2-NH1 2.85Å; E13-R31 IonicContact OE2-NH2 2.7Å; E13-R31 PolarHBondContact OE2-NH2 3.36Å
14	V	89.4	Confident	82.4	Confident	85 Å²	85	82.7 Å²	82.7	52%	0.515	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.5	177.6	-176.7	0	0	0	0	108.8	I12 C27 M28	I12-V14 HydrophobicContact CG2-CG2 3.96Å; V14-C27 VanDerWaalsContact CA-O 3.29Å; V14-C27 WeakPolarHBondContact CA-O 3.37Å; V14-C27 WeakPolarHBondContact CG1-O 3.47Å; V14-M28 HydrophobicContact CG2-CB 4.43Å; V14-M28 HydrophobicContact CG2-CE 4.08Å; V14-M28 HydrophobicContact CG2-CG 4.23Å
15	F	89.5	Confident	84.1	Confident	63 Å²	63	80.2 Å²	80.2	28%	0.276	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	174.9	178.1	65	-91.9	0	0	0	110.3	E13 C27 F69 A98	E13-F15 HydrophobicContact CG-CD1 4.39Å; F15-C27 HydrophobicContact CD1-CB 4.47Å; F15-C27 HydrophobicContact CD2-CB 4.19Å; F15-C27 HydrophobicContact CE1-CB 4.09Å; F15-C27 HydrophobicContact CE2-CB 3.76Å; F15-C27 HydrophobicContact CZ-CB 3.72Å; F15-C27 PolarHBondContact N-O 3.21Å; F15-C27 PolarHBondContact O-N 2.9Å; F15-F69 AromaticContact CE1-CE2 3.89Å; F15-F69 HydrophobicContact CE1-CE2 3.89Å; F15-F69 AromaticContact CZ-CE2 3.62Å; F15-F69 HydrophobicContact CZ-CE2 3.62Å; F15-F69 HydrophobicContact CZ-CZ 4.02Å; F15-A98 HydrophobicContact CE2-CB 3.86Å; F15-A98 HydrophobicContact CZ-CB 4.17Å
16	V	93.1	Very high	85.5	Confident	79 Å²	79	78.4 Å²	78.4	48%	0.479	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.3	-179.2	176.9	0	0	0	0	109.6	R24 I25	V16-R24 HydrophobicContact CG1-CB 3.69Å; V16-R24 HydrophobicContact CG1-CG 4.26Å; V16-I25 CarbonylContact C-O 3.53Å; V16-I25 VanDerWaalsContact CA-O 3.3Å; V16-I25 WeakPolarHBondContact CA-O 3.35Å
17	T	90.9	Very high	86.9	Confident	29 Å²	29	72.1 Å²	72.1	18%	0.178	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	170.7	168.5	-169.6	0	0	0	0	110.7	R24 I25 A94 A98	T17-R24 WeakPolarHBondContact O-CA 3.31Å; T17-I25 HydrophobicContact CG2-CB 3.84Å; T17-I25 HydrophobicContact CG2-CG2 4.17Å; T17-I25 PolarHBondContact N-O 3.12Å; T17-I25 PolarHBondContact O-N 3.2Å; T17-A94 HydrophobicContact CG2-CB 3.87Å; T17-A98 HydrophobicContact CG2-CB 4.14Å
18	K	94.3	Very high	88.3	Confident	145 Å²	145	62.4 Å²	62.4	63%	0.63	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	126	178.4	-169.1	175.4	-179.1	179.4	0	110.1	N23	K18-N23 CarbonylContact C-O 3.55Å; K18-N23 WeakPolarHBondContact CA-O 3.22Å
19	S	93.3	Very high	89.4	Confident	6 Å²	6	60 Å²	60	4%	0.042	32%	0.316	C	S	.	.			trans	-78.3	162.7	176.1	74.6	0	0	0	0	112.7	R21 A22 N23 A90 D91	S19-R21 PolarHBondContact O-N 3.41Å; S19-A22 WeakPolarHBondContact O-CA 3.39Å; S19-A22 PolarHBondContact O-N 2.66Å; S19-N23 PolarHBondContact N-O 3.12Å; S19-N23 PolarHBondContact OG-N 3.03Å; S19-A90 VanDerWaalsContact CB-O 3.31Å; S19-A90 WeakPolarHBondContact CB-O 3.48Å; S19-D91 WeakPolarHBondContact CB-OD1 3.46Å; S19-D91 PolarHBondContact OG-OD1 3.44Å
20	A	89.8	Confident	90.2	Very high	105 Å²	105	56.6 Å²	56.6	87%	0.868	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-20	175.7	0	0	0	0	0	112.7	A22	A20-A22 VanDerWaalsContact C-N 3.3Å
21	R	93.6	Very high	90.7	Very high	135 Å²	135	56.6 Å²	56.6	51%	0.509	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	13.7	176	-60.2	-174.3	63.2	76.8	10.1	113.2	S19 N23 K86 N87 A90	S19-R21 PolarHBondContact O-N 3.41Å; R21-N23 PolarHBondContact O-N 2.99Å; R21-K86 WeakPolarHBondContact CD-O 3.32Å; R21-N87 VanDerWaalsContact CD-OD1 3.22Å; R21-N87 WeakPolarHBondContact CD-OD1 3.45Å; R21-N87 PolarHBondContact NE-OD1 3.34Å; R21-A90 HydrophobicContact CB-CB 4.32Å; R21-A90 HydrophobicContact CG-CB 3.72Å
22	A	93.9	Very high	90.8	Very high	60 Å²	60	55.3 Å²	55.3	50%	0.496	28%	0.283	S	S	.	.	S	Bend	trans	64.5	15	179.2	0	0	0	0	0	115.8	S19 A20	S19-A22 WeakPolarHBondContact O-CA 3.39Å; S19-A22 PolarHBondContact O-N 2.66Å; A20-A22 VanDerWaalsContact C-N 3.3Å
23	N	96.6	Very high	90.4	Very high	20 Å²	20	55.8 Å²	55.8	11%	0.107	29%	0.287	C	S	.	.			trans	-77	144.3	171.5	-60.3	-33.3	0	0	0	110	K18 S19 R21 I25 S74 S80 N87	K18-N23 CarbonylContact C-O 3.55Å; K18-N23 WeakPolarHBondContact CA-O 3.22Å; S19-N23 PolarHBondContact N-O 3.12Å; S19-N23 PolarHBondContact OG-N 3.03Å; R21-N23 PolarHBondContact O-N 2.99Å; N23-I25 HydrophobicContact CB-CD1 4.06Å; N23-S74 PolarHBondContact ND2-OG 3.35Å; N23-S80 WeakPolarHBondContact CA-OG 3.33Å; N23-N87 PolarHBondContact ND2-OD1 3.15Å
24	R	97	Very high	89.9	Confident	155 Å²	155	58.1 Å²	58.1	59%	0.585	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.6	167.3	-64.8	-171.8	-48.1	-122.4	-1.7	108.8	V16 T17 S79 S80	V16-R24 HydrophobicContact CG1-CB 3.69Å; V16-R24 HydrophobicContact CG1-CG 4.26Å; T17-R24 WeakPolarHBondContact O-CA 3.31Å; R24-S79 CarbonylContact O-C 3.5Å; R24-S79 VanDerWaalsContact O-CA 3.26Å; R24-S79 WeakPolarHBondContact O-CA 3.44Å; R24-S79 WeakPolarHBondContact O-CB 3.38Å; R24-S80 PolarHBondContact N-OG 3.4Å; R24-S80 PolarHBondContact O-N 3.34Å
25	I	96.9	Very high	88.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118	-175	-59.4	-53.6	0	0	0	108.5	V16 T17 N23 Y71 D72 S79 D91	V16-I25 CarbonylContact C-O 3.53Å; V16-I25 VanDerWaalsContact CA-O 3.3Å; V16-I25 WeakPolarHBondContact CA-O 3.35Å; T17-I25 HydrophobicContact CG2-CB 3.84Å; T17-I25 HydrophobicContact CG2-CG2 4.17Å; T17-I25 PolarHBondContact N-O 3.12Å; T17-I25 PolarHBondContact O-N 3.2Å; N23-I25 HydrophobicContact CB-CD1 4.06Å; I25-Y71 HydrophobicContact CG2-CD2 4.07Å; I25-D72 WeakPolarHBondContact CG2-O 3.27Å; I25-S79 WeakPolarHBondContact CA-OG 3.18Å; I25-D91 HydrophobicContact CD1-CB 3.95Å; I25-D91 WeakPolarHBondContact CD1-OD1 3.34Å; I25-D91 HydrophobicContact CG1-CB 4.14Å
26	A	95.6	Very high	87.6	Confident	2 Å²	2	56 Å²	56	2%	0.017	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	137.1	173.9	0	0	0	0	0	109.8	L50 Y71 D72 I78 S79	A26-L50 HydrophobicContact CB-CD1 4.07Å; A26-Y71 CarbonylContact O-C 3.38Å; A26-Y71 WeakPolarHBondContact O-CA 3.47Å; A26-Y71 VanDerWaalsContact O-CB 3.3Å; A26-Y71 WeakPolarHBondContact O-CB 3.5Å; A26-D72 HydrophobicContact CB-CB 4.29Å; A26-D72 PolarHBondContact O-N 3.06Å; A26-I78 HydrophobicContact CB-CD1 4.06Å; A26-I78 HydrophobicContact CB-CG1 3.61Å; A26-S79 PolarHBondContact N-OG 3.41Å
27	C	91.9	Very high	86.2	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	146	177	-61	0	0	0	0	109.4	V14 F15 F69 S70	V14-C27 VanDerWaalsContact CA-O 3.29Å; V14-C27 WeakPolarHBondContact CA-O 3.37Å; V14-C27 WeakPolarHBondContact CG1-O 3.47Å; F15-C27 HydrophobicContact CD1-CB 4.47Å; F15-C27 HydrophobicContact CD2-CB 4.19Å; F15-C27 HydrophobicContact CE1-CB 4.09Å; F15-C27 HydrophobicContact CE2-CB 3.76Å; F15-C27 HydrophobicContact CZ-CB 3.72Å; F15-C27 PolarHBondContact N-O 3.21Å; F15-C27 PolarHBondContact O-N 2.9Å; C27-F69 HydrophobicContact CB-CE2 3.71Å; C27-F69 HydrophobicContact CB-CZ 3.63Å; C27-S70 CarbonylContact C-O 3.57Å; C27-S70 WeakPolarHBondContact CA-O 3.3Å
28	M	91.8	Very high	85.1	Confident	13 Å²	13	62 Å²	62	6%	0.064	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.4	175.9	-178.8	-177.7	-75.4	0	0	109.4	I12 E13 V14 V30 L50 C54 Y57 F69 S70	I12-M28 HydrophobicContact CG2-CE 4.2Å; I12-M28 HydrophobicContact CG2-CG 3.73Å; I12-M28 HydrophobicContact CG2-SD 4.07Å; E13-M28 CarbonylContact O-C 3.29Å; E13-M28 WeakPolarHBondContact O-CA 3.48Å; V14-M28 HydrophobicContact CG2-CB 4.43Å; V14-M28 HydrophobicContact CG2-CE 4.08Å; V14-M28 HydrophobicContact CG2-CG 4.23Å; M28-V30 HydrophobicContact CG-CG2 3.79Å; M28-V30 HydrophobicContact SD-CG2 3.79Å; M28-L50 HydrophobicContact CB-CD1 4Å; M28-L50 HydrophobicContact CB-CD2 3.92Å; M28-L50 HydrophobicContact CB-CG 4.41Å; M28-L50 HydrophobicContact CE-CB 4.03Å; M28-C54 HydrophobicContact CE-CB 4.24Å; M28-C54 HydrophobicContact SD-CB 4.23Å; M28-Y57 HydrophobicContact SD-CD2 3.98Å; M28-Y57 HydrophobicContact SD-CE2 4.29Å; M28-F69 CarbonylContact O-C 3.54Å; M28-F69 VanDerWaalsContact O-CA 3.31Å; M28-F69 WeakPolarHBondContact O-CA 3.43Å; M28-F69 WeakPolarHBondContact O-CD2 3.46Å; M28-S70 PolarHBondContact N-O 3.44Å; M28-S70 PolarHBondContact O-N 2.65Å
29	Y	87.6	Confident	84.3	Confident	27 Å²	27	57.6 Å²	57.6	11%	0.106	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.8	170.5	-167.8	-85.6	0	0	0	109.3	I12 E13 R31 T39 N67 I68 F69 L99	I12-Y29 WeakPolarHBondContact CA-O 3.27Å; E13-Y29 PolarHBondContact N-O 3.34Å; E13-Y29 PolarHBondContact O-N 2.84Å; Y29-R31 HydrophobicContact CD1-CG 3.85Å; Y29-R31 HydrophobicContact CE1-CG 3.54Å; Y29-T39 HydrophobicContact CD2-CG2 4.43Å; Y29-T39 HydrophobicContact CE2-CG2 3.6Å; Y29-T39 PolarHBondContact OH-OG1 3.01Å; Y29-N67 HydrophobicContact CE1-CB 4.13Å; Y29-N67 WeakPolarHBondContact OH-CB 3.28Å; Y29-N67 PolarHBondContact OH-ND2 3.49Å; Y29-I68 CarbonylContact C-O 3.53Å; Y29-F69 HydrophobicContact CD2-CB 3.87Å; Y29-F69 AromaticContact CD2-CD2 3.68Å; Y29-F69 HydrophobicContact CD2-CD2 3.68Å; Y29-F69 HydrophobicContact CD2-CG 4.18Å; Y29-F69 HydrophobicContact CE2-CB 4.32Å; Y29-F69 HydrophobicContact CG-CD2 4.31Å; Y29-L99 HydrophobicContact CD2-CD1 4.18Å; Y29-L99 HydrophobicContact CE2-CD1 3.98Å
30	V	87.3	Confident	83.8	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.006	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113	179.5	-169.5	0	0	0	0	109.2	I12 M28 C32 Y57 V58 N67 I68	I12-V30 HydrophobicContact CG1-CG1 4.08Å; I12-V30 HydrophobicContact CG1-CG2 4.32Å; M28-V30 HydrophobicContact CG-CG2 3.79Å; M28-V30 HydrophobicContact SD-CG2 3.79Å; V30-C32 VanDerWaalsContact C-N 3.34Å; V30-C32 WeakPolarHBondContact CG1-SG 3.49Å; V30-C32 PolarHBondContact O-N 2.98Å; V30-C32 VanDerWaalsContact O-N 3.09Å; V30-Y57 HydrophobicContact CG2-CD2 4.36Å; V30-V58 HydrophobicContact CG1-CG2 3.72Å; V30-N67 WeakPolarHBondContact O-CA 3.48Å; V30-N67 WeakPolarHBondContact O-CB 3.43Å; V30-I68 HydrophobicContact CB-CB 4.43Å; V30-I68 PolarHBondContact N-O 3.38Å; V30-I68 PolarHBondContact O-N 3.25Å
31	R	82.9	Confident	83.5	Confident	102 Å²	102	57 Å²	57	39%	0.385	30%	0.3	S	S	.	.			trans	-80.3	79.7	172.8	-74.1	179.3	-83.9	-93	5.7	110	T11 E13 Y29 N67	T11-R31 WeakPolarHBondContact CB-O 3.45Å; T11-R31 WeakPolarHBondContact O-CB 3.45Å; T11-R31 PolarHBondContact O-N 3.32Å; E13-R31 IonicContact OE2-CZ 3.23Å; E13-R31 IonicContact OE2-NH1 2.85Å; E13-R31 PolarHBondContact OE2-NH1 2.85Å; E13-R31 IonicContact OE2-NH2 2.7Å; E13-R31 PolarHBondContact OE2-NH2 3.36Å; Y29-R31 HydrophobicContact CD1-CG 3.85Å; Y29-R31 HydrophobicContact CE1-CG 3.54Å; R31-N67 WeakPolarHBondContact CA-OD1 3.44Å
32	C	81.4	Confident	83.2	Confident	21 Å²	21	53 Å²	53	14%	0.142	29%	0.286	C	S	.	.			trans	-71	-34.4	-175.1	-52.5	0	0	0	0	113	V30 Y57 C66 N67	V30-C32 VanDerWaalsContact C-N 3.34Å; V30-C32 WeakPolarHBondContact CG1-SG 3.49Å; V30-C32 PolarHBondContact O-N 2.98Å; V30-C32 VanDerWaalsContact O-N 3.09Å; C32-Y57 PolarHBondContact SG-O 2.79Å; C32-C66 WeakPolarHBondContact CB-O 3.46Å; C32-N67 PolarHBondContact N-OD1 2.87Å
33	V	76.2	Confident	83.1	Confident	34 Å²	34	52.4 Å²	52.4	21%	0.206	28%	0.278	C	S	.	.	S	Bend	trans	-134.7	132.8	-177.9	-58.8	0	0	0	0	112.3	G35 A36	V33-G35 PolarHBondContact O-N 3.47Å; V33-A36 HydrophobicContact CG2-CB 3.41Å; V33-A36 VanDerWaalsContact CG2-CB 3.41Å; V33-A36 WeakPolarHBondContact O-CB 3.39Å; V33-A36 PolarHBondContact O-N 2.89Å
34	P	74.6	Confident	82.8	Confident	139 Å²	139	51.6 Å²	51.6	90%	0.903	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	130.4	172.9	-24.2	34.2	0	0	0	111.2	A36	P34-A36 VanDerWaalsContact C-N 3.28Å; P34-A36 PolarHBondContact O-N 3.25Å
35	G	66.2	Low	81.8	Confident	78 Å²	78	46 Å²	46	80%	0.804	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	18.4	-179.7	0	0	0	0	0	114.7	V33 R37	V33-G35 PolarHBondContact O-N 3.47Å; G35-R37 PolarHBondContact O-N 2.58Å; G35-R37 VanDerWaalsContact O-N 3.12Å
36	A	65.1	Low	80.9	Confident	24 Å²	24	51.8 Å²	51.8	20%	0.198	30%	0.295	C	S	.	.			trans	-48.4	120.6	173.3	0	0	0	0	0	110.6	V33 P34 Y38 N67	V33-A36 HydrophobicContact CG2-CB 3.41Å; V33-A36 VanDerWaalsContact CG2-CB 3.41Å; V33-A36 WeakPolarHBondContact O-CB 3.39Å; V33-A36 PolarHBondContact O-N 2.89Å; P34-A36 VanDerWaalsContact C-N 3.28Å; P34-A36 PolarHBondContact O-N 3.25Å; A36-Y38 VanDerWaalsContact C-N 3.31Å; A36-N67 HydrophobicContact CB-CB 4.38Å; A36-N67 VanDerWaalsContact CB-CG 3.48Å; A36-N67 VanDerWaalsContact CB-OD1 3.31Å; A36-N67 WeakPolarHBondContact CB-OD1 3.38Å
37	R	62.7	Low	80.2	Confident	173 Å²	173	55.6 Å²	55.6	65%	0.653	33%	0.326	S	S	*	.	S	Bend	trans	-77.6	-22	176.9	-69.6	-173.2	71.6	171	1.2	112.5	G35	G35-R37 PolarHBondContact O-N 2.58Å; G35-R37 VanDerWaalsContact O-N 3.12Å
38	Y	68.9	Low	79.9	Confident	63 Å²	63	57.4 Å²	57.4	25%	0.247	34%	0.338	C	S	.	.			trans	-127.7	148.6	-172.3	-52.9	-62.3	0	0	0	111	A36 C66 N67 L171	A36-Y38 VanDerWaalsContact C-N 3.31Å; Y38-C66 WeakPolarHBondContact O-CA 3.49Å; Y38-N67 PolarHBondContact O-N 3.18Å; Y38-L171 HydrophobicContact CE1-CD2 4Å; Y38-L171 HydrophobicContact CE2-CD1 4.5Å; Y38-L171 HydrophobicContact CE2-CD2 4.22Å
39	T	77.6	Confident	79.8	Confident	52 Å²	52	59 Å²	59	32%	0.319	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	133.5	171.8	-57.4	0	0	0	0	108.2	Y29 N67 F69 L99	Y29-T39 HydrophobicContact CD2-CG2 4.43Å; Y29-T39 HydrophobicContact CE2-CG2 3.6Å; Y29-T39 PolarHBondContact OH-OG1 3.01Å; T39-N67 CarbonylContact C-O 3.53Å; T39-N67 VanDerWaalsContact CA-O 3.25Å; T39-N67 WeakPolarHBondContact CA-O 3.39Å; T39-N67 HydrophobicContact CG2-CB 4.15Å; T39-F69 HydrophobicContact CG2-CB 3.84Å; T39-L99 HydrophobicContact CG2-CD1 4.27Å
40	V	82.1	Confident	79.9	Confident	49 Å²	49	58 Å²	58	30%	0.297	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	122.4	172.3	178.4	0	0	0	0	108.6	F42 I64 C66 N67 I68 F69	V40-F42 HydrophobicContact CG1-CB 4.39Å; V40-I64 HydrophobicContact CG2-CD1 3.99Å; V40-C66 HydrophobicContact CG2-CB 4.23Å; V40-N67 PolarHBondContact N-O 2.88Å; V40-I68 HydrophobicContact CB-CD1 3.86Å; V40-I68 HydrophobicContact CG2-CD1 4.26Å; V40-F69 PolarHBondContact O-N 2.65Å
41	L	83.9	Confident	79.9	Confident	50 Å²	50	60 Å²	60	26%	0.262	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	114.9	161.9	171.2	61.3	0	0	0	107.4	F69 Y71 I92 W96 L99	L41-F69 CarbonylContact C-O 3.58Å; L41-F69 WeakPolarHBondContact CA-O 3.45Å; L41-F69 HydrophobicContact CD1-CD1 3.5Å; L41-F69 HydrophobicContact CD1-CE1 3.91Å; L41-Y71 HydrophobicContact CD1-CD1 3.98Å; L41-Y71 HydrophobicContact CD1-CE1 4.01Å; L41-I92 HydrophobicContact CD1-CD1 4.21Å; L41-I92 HydrophobicContact CD2-CD1 3.65Å; L41-I92 HydrophobicContact CG-CD1 4.07Å; L41-W96 HydrophobicContact CD2-CB 4.21Å; L41-W96 HydrophobicContact CD2-CE3 3.82Å; L41-L99 HydrophobicContact CB-CD2 4.1Å
42	F	87.9	Confident	80.1	Confident	50 Å²	50	60.8 Å²	60.8	22%	0.219	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.5	-174	-168.9	-80.4	0	0	0	109.8	V40 H44 M53 F56 Y57 L60 I68 F69 S70	V40-F42 HydrophobicContact CG1-CB 4.39Å; F42-H44 HydrophobicContact CE1-CB 4.37Å; F42-M53 HydrophobicContact CE1-CE 4.03Å; F42-F56 HydrophobicContact CE1-CE1 4.16Å; F42-F56 AromaticContact CE2-CE1 3.86Å; F42-F56 HydrophobicContact CE2-CE1 3.86Å; F42-F56 HydrophobicContact CE2-CZ 4.38Å; F42-F56 AromaticContact CZ-CE1 3.58Å; F42-F56 HydrophobicContact CZ-CE1 3.58Å; F42-F56 HydrophobicContact CZ-CZ 4.2Å; F42-Y57 HydrophobicContact CD1-CD1 4.4Å; F42-Y57 AromaticContact CD1-CE1 3.53Å; F42-Y57 HydrophobicContact CD1-CE1 3.53Å; F42-Y57 AromaticContact CE1-CE1 3.92Å; F42-Y57 HydrophobicContact CE1-CE1 3.92Å; F42-Y57 HydrophobicContact CG-CE1 4.11Å; F42-L60 HydrophobicContact CD2-CD2 4.07Å; F42-L60 HydrophobicContact CE2-CD2 4Å; F42-I68 HydrophobicContact CB-CG2 4.04Å; F42-F69 PolarHBondContact N-O 2.86Å; F42-S70 WeakPolarHBondContact O-CA 3.49Å; F42-S70 VanDerWaalsContact O-CB 3.28Å; F42-S70 WeakPolarHBondContact O-CB 3.34Å; F42-S70 PolarHBondContact O-OG 3.01Å
43	S	90.9	Very high	80.5	Confident	47 Å²	47	61.3 Å²	61.3	33%	0.329	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.1	170.8	-54.9	0	0	0	0	108.4	Y71 Y73	S43-Y71 PolarHBondContact OG-OH 3.08Å; S43-Y73 WeakPolarHBondContact CB-OH 3.44Å
44	H	90.3	Very high	81	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.019	36%	0.363	C	S	.	.			trans	-80.6	163.6	-175.9	67.5	75.6	0	0	0	112.7	F42 V48 M53 Y71 D72 Y73 Y76	F42-H44 HydrophobicContact CE1-CB 4.37Å; H44-V48 HydrophobicContact CB-CG2 4.14Å; H44-V48 PolarHBondContact CE1-O 2.85Å; H44-V48 PolarHBondContact ND1-O 3.4Å; H44-M53 HydrophobicContact CB-CE 4.26Å; H44-M53 HydrophobicContact CB-CG 4.16Å; H44-Y71 PolarHBondContact CD2-O 3.36Å; H44-Y71 PolarHBondContact NE2-O 2.85Å; H44-D72 IonicContact NE2-OD1 3.4Å; H44-D72 PolarHBondContact NE2-OD1 3.25Å; H44-Y73 AromaticContact CE1-CD2 3.48Å; H44-Y73 VanDerWaalsContact CE1-CD2 3.48Å; H44-Y73 WeakPolarHBondContact CE1-CD2 3.47Å; H44-Y73 AromaticContact CE1-CE2 3.45Å; H44-Y73 VanDerWaalsContact CE1-CE2 3.45Å; H44-Y73 WeakPolarHBondContact CE1-CE2 3.33Å; H44-Y73 PolarHBondContact N-OH 3.34Å; H44-Y73 AromaticContact ND1-CE2 3.65Å; H44-Y73 AromaticContact NE2-CD2 3.75Å; H44-Y73 AromaticContact NE2-CE2 3.77Å; H44-Y73 WeakPolarHBondContact O-CE2 3.29Å; H44-Y73 PolarHBondContact O-OH 3.07Å; H44-Y76 AromaticContact CE1-CD1 3.9Å
45	G	77	Confident	81.6	Confident	36 Å²	36	55.3 Å²	55.3	37%	0.371	34%	0.335	S	S	.	.			trans	-72.5	176	178.9	0	0	0	0	0	114	V48	G45-V48 WeakPolarHBondContact O-CG2 3.21Å
46	N	78.1	Confident	82.6	Confident	123 Å²	123	56.2 Å²	56.2	66%	0.658	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	154.2	174.8	-171.3	6.9	0	0	0	111.7	V48 Y76	N46-V48 PolarHBondContact O-N 3.23Å; N46-V48 VanDerWaalsContact O-N 3.14Å; N46-Y76 PolarHBondContact OD1-OH 2.8Å
47	A	79.9	Confident	83.8	Confident	81 Å²	81	55 Å²	55	67%	0.669	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	16.2	176.8	0	0	0	0	0	116.8
48	V	85.9	Confident	84.9	Confident	39 Å²	39	48.4 Å²	48.4	24%	0.236	29%	0.286	C	S	.	.			trans	-123.6	158.7	171.5	-62.1	0	0	0	0	111.3	H44 G45 N46 Q52 M53 Y76	H44-V48 HydrophobicContact CB-CG2 4.14Å; H44-V48 PolarHBondContact CE1-O 2.85Å; H44-V48 PolarHBondContact ND1-O 3.4Å; G45-V48 WeakPolarHBondContact O-CG2 3.21Å; N46-V48 PolarHBondContact O-N 3.23Å; N46-V48 VanDerWaalsContact O-N 3.14Å; V48-Q52 VanDerWaalsContact CA-OE1 3.25Å; V48-M53 HydrophobicContact CB-CG 4.04Å; V48-M53 HydrophobicContact CB-SD 4.16Å; V48-M53 HydrophobicContact CG1-SD 4.41Å; V48-M53 HydrophobicContact CG2-CG 3.78Å; V48-M53 HydrophobicContact CG2-SD 3.82Å; V48-Y76 WeakPolarHBondContact O-CD1 3.36Å
49	D	90	Very high	85.7	Confident	47 Å²	47	47.4 Å²	47.4	25%	0.251	30%	0.295	S	S	.	.			trans	-124	171.1	172.3	65.4	49.1	0	0	0	111.9	G51 Q52 M53 D72	D49-G51 PolarHBondContact O-N 3.09Å; D49-G51 VanDerWaalsContact OD1-CA 3.3Å; D49-G51 WeakPolarHBondContact OD1-CA 3.41Å; D49-G51 PolarHBondContact OD1-N 2.89Å; D49-Q52 PolarHBondContact O-N 3.21Å; D49-Q52 VanDerWaalsContact O-N 3.15Å; D49-Q52 PolarHBondContact OD1-N 2.81Å; D49-M53 WeakPolarHBondContact O-CG 3.43Å; D49-M53 PolarHBondContact O-N 2.83Å; D49-D72 WeakPolarHBondContact CA-OD1 3.35Å
50	L	89.2	Confident	86	Confident	6 Å²	6	47.2 Å²	47.2	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-53	-36.7	178	-74.7	176.6	0	0	0	114	A26 M28 M53 C54 Y57 D72	A26-L50 HydrophobicContact CB-CD1 4.07Å; M28-L50 HydrophobicContact CB-CD1 4Å; M28-L50 HydrophobicContact CB-CD2 3.92Å; M28-L50 HydrophobicContact CB-CG 4.41Å; M28-L50 HydrophobicContact CE-CB 4.03Å; L50-M53 PolarHBondContact O-N 2.91Å; L50-C54 PolarHBondContact O-N 3.07Å; L50-Y57 HydrophobicContact CD2-CE2 3.95Å; L50-D72 HydrophobicContact CD1-CB 4.37Å; L50-D72 HydrophobicContact CG-CB 4.43Å; L50-D72 WeakPolarHBondContact CG-OD1 3.47Å; L50-D72 PolarHBondContact N-OD1 3.37Å
51	G	87.3	Confident	86.1	Confident	42 Å²	42	44.9 Å²	44.9	43%	0.433	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-43.9	179.8	0	0	0	0	0	111.6	D49 M53 C54	D49-G51 PolarHBondContact O-N 3.09Å; D49-G51 VanDerWaalsContact OD1-CA 3.3Å; D49-G51 WeakPolarHBondContact OD1-CA 3.41Å; D49-G51 PolarHBondContact OD1-N 2.89Å; G51-M53 VanDerWaalsContact C-N 3.35Å; G51-C54 WeakPolarHBondContact O-CB 3.31Å
52	Q	87.8	Confident	86.1	Confident	119 Å²	119	46.2 Å²	46.2	56%	0.556	29%	0.288	S	S	*	.	H	α-helix	trans	-67.8	-34.6	176.4	-64.7	178.9	-15	0	0	112.5	V48 D49	V48-Q52 VanDerWaalsContact CA-OE1 3.25Å; D49-Q52 PolarHBondContact O-N 3.21Å; D49-Q52 VanDerWaalsContact O-N 3.15Å; D49-Q52 PolarHBondContact OD1-N 2.81Å
53	M	88.8	Confident	86	Confident	31 Å²	31	54.8 Å²	54.8	15%	0.153	32%	0.319	C	S	.	.	H	α-helix	trans	-86	-11.3	-177.5	-66.1	-66.3	-71.5	0	0	114.1	F42 H44 V48 D49 L50 G51 S55 F56 Y57	F42-M53 HydrophobicContact CE1-CE 4.03Å; H44-M53 HydrophobicContact CB-CE 4.26Å; H44-M53 HydrophobicContact CB-CG 4.16Å; V48-M53 HydrophobicContact CB-CG 4.04Å; V48-M53 HydrophobicContact CB-SD 4.16Å; V48-M53 HydrophobicContact CG1-SD 4.41Å; V48-M53 HydrophobicContact CG2-CG 3.78Å; V48-M53 HydrophobicContact CG2-SD 3.82Å; D49-M53 WeakPolarHBondContact O-CG 3.43Å; D49-M53 PolarHBondContact O-N 2.83Å; L50-M53 PolarHBondContact O-N 2.91Å; G51-M53 VanDerWaalsContact C-N 3.35Å; M53-S55 VanDerWaalsContact C-N 3.31Å; M53-S55 PolarHBondContact O-N 3.5Å; M53-F56 HydrophobicContact CE-CD1 3.71Å; M53-F56 HydrophobicContact CE-CE1 4.17Å; M53-F56 HydrophobicContact CE-CG 4.26Å; M53-F56 WeakPolarHBondContact O-CA 3.45Å; M53-F56 WeakPolarHBondContact O-CB 3.46Å; M53-F56 PolarHBondContact O-N 3.5Å; M53-Y57 HydrophobicContact CB-CD2 4.27Å; M53-Y57 HydrophobicContact CB-CE1 3.86Å; M53-Y57 HydrophobicContact CB-CE2 3.48Å; M53-Y57 VanDerWaalsContact CB-CE2 3.48Å; M53-Y57 WeakPolarHBondContact CB-OH 3.4Å; M53-Y57 HydrophobicContact CE-CE1 4.13Å; M53-Y57 WeakPolarHBondContact O-CD2 3.34Å; M53-Y57 PolarHBondContact O-N 3.41Å
54	C	88.1	Confident	85.6	Confident	1 Å²	1	56 Å²	56	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-50.3	-48.3	-176.7	-178.2	0	0	0	0	113	I12 M28 L50 G51 F56 Y57 V58	I12-C54 WeakPolarHBondContact CD1-SG 3.39Å; M28-C54 HydrophobicContact CE-CB 4.24Å; M28-C54 HydrophobicContact SD-CB 4.23Å; L50-C54 PolarHBondContact O-N 3.07Å; G51-C54 WeakPolarHBondContact O-CB 3.31Å; C54-F56 VanDerWaalsContact C-N 3.3Å; C54-F56 PolarHBondContact O-N 3.23Å; C54-Y57 PolarHBondContact O-N 2.82Å; C54-V58 PolarHBondContact O-N 2.84Å; C54-V58 VanDerWaalsContact O-N 3.14Å
55	S	86.5	Confident	85.1	Confident	46 Å²	46	57.6 Å²	57.6	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-56.4	-43.7	176.9	-54.6	0	0	0	0	113.1	Y4 M53 G59	Y4-S55 WeakPolarHBondContact CE2-OG 3.37Å; Y4-S55 WeakPolarHBondContact OH-CA 3.39Å; Y4-S55 WeakPolarHBondContact OH-CB 3.21Å; Y4-S55 PolarHBondContact OH-OG 3.47Å; M53-S55 VanDerWaalsContact C-N 3.31Å; M53-S55 PolarHBondContact O-N 3.5Å; S55-G59 PolarHBondContact O-N 2.89Å; S55-G59 VanDerWaalsContact O-N 3.15Å
56	F	87.6	Confident	85.3	Confident	97 Å²	97	56.7 Å²	56.7	43%	0.425	33%	0.326	S	S	.	.	H	α-helix	trans	-66.2	-42	179.4	170.6	-94	0	0	0	110.9	F42 M53 C54 V58 G59 L60	F42-F56 HydrophobicContact CE1-CE1 4.16Å; F42-F56 AromaticContact CE2-CE1 3.86Å; F42-F56 HydrophobicContact CE2-CE1 3.86Å; F42-F56 HydrophobicContact CE2-CZ 4.38Å; F42-F56 AromaticContact CZ-CE1 3.58Å; F42-F56 HydrophobicContact CZ-CE1 3.58Å; F42-F56 HydrophobicContact CZ-CZ 4.2Å; M53-F56 HydrophobicContact CE-CD1 3.71Å; M53-F56 HydrophobicContact CE-CE1 4.17Å; M53-F56 HydrophobicContact CE-CG 4.26Å; M53-F56 WeakPolarHBondContact O-CA 3.45Å; M53-F56 WeakPolarHBondContact O-CB 3.46Å; M53-F56 PolarHBondContact O-N 3.5Å; C54-F56 VanDerWaalsContact C-N 3.3Å; C54-F56 PolarHBondContact O-N 3.23Å; F56-V58 PolarHBondContact O-N 2.94Å; F56-G59 PolarHBondContact O-N 3.44Å; F56-L60 HydrophobicContact CE1-CB 4.38Å; F56-L60 HydrophobicContact CE1-CD2 3.77Å; F56-L60 HydrophobicContact CZ-CB 4.43Å; F56-L60 HydrophobicContact CZ-CD2 3.97Å; F56-L60 VanDerWaalsContact O-CB 3.26Å; F56-L60 WeakPolarHBondContact O-CB 3.25Å; F56-L60 PolarHBondContact O-N 3.41Å
57	Y	89.5	Confident	85.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-42.8	177.8	-57.6	-34.5	0	0	0	112.9	M28 V30 C32 F42 L50 M53 C54 G61 I68 S70	M28-Y57 HydrophobicContact SD-CD2 3.98Å; M28-Y57 HydrophobicContact SD-CE2 4.29Å; V30-Y57 HydrophobicContact CG2-CD2 4.36Å; C32-Y57 PolarHBondContact SG-O 2.79Å; F42-Y57 HydrophobicContact CD1-CD1 4.4Å; F42-Y57 AromaticContact CD1-CE1 3.53Å; F42-Y57 HydrophobicContact CD1-CE1 3.53Å; F42-Y57 AromaticContact CE1-CE1 3.92Å; F42-Y57 HydrophobicContact CE1-CE1 3.92Å; F42-Y57 HydrophobicContact CG-CE1 4.11Å; L50-Y57 HydrophobicContact CD2-CE2 3.95Å; M53-Y57 HydrophobicContact CB-CD2 4.27Å; M53-Y57 HydrophobicContact CB-CE1 3.86Å; M53-Y57 HydrophobicContact CB-CE2 3.48Å; M53-Y57 VanDerWaalsContact CB-CE2 3.48Å; M53-Y57 WeakPolarHBondContact CB-OH 3.4Å; M53-Y57 HydrophobicContact CE-CE1 4.13Å; M53-Y57 WeakPolarHBondContact O-CD2 3.34Å; M53-Y57 PolarHBondContact O-N 3.41Å; C54-Y57 PolarHBondContact O-N 2.82Å; Y57-G61 PolarHBondContact O-N 2.88Å; Y57-I68 HydrophobicContact CD1-CG2 3.75Å; Y57-I68 HydrophobicContact CE1-CG2 4.45Å; Y57-I68 HydrophobicContact CG-CG2 3.84Å; Y57-I68 WeakPolarHBondContact O-CG1 3.2Å; Y57-S70 PolarHBondContact OH-OG 2.97Å
58	V	86.6	Confident	85.9	Confident	33 Å²	33	47.6 Å²	47.6	20%	0.2	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-48.8	175.6	175.4	0	0	0	0	110.3	V30 C54 F56 T62	V30-V58 HydrophobicContact CG1-CG2 3.72Å; C54-V58 PolarHBondContact O-N 2.84Å; C54-V58 VanDerWaalsContact O-N 3.14Å; F56-V58 PolarHBondContact O-N 2.94Å; V58-T62 VanDerWaalsContact O-CB 3.29Å; V58-T62 WeakPolarHBondContact O-CB 3.24Å; V58-T62 PolarHBondContact O-N 3.5Å; V58-T62 PolarHBondContact O-OG1 3.49Å
59	G	83.9	Confident	86	Confident	43 Å²	43	45.8 Å²	45.8	44%	0.443	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-46.8	-179.8	0	0	0	0	0	113.1	S55 F56 R63	S55-G59 PolarHBondContact O-N 2.89Å; S55-G59 VanDerWaalsContact O-N 3.15Å; F56-G59 PolarHBondContact O-N 3.44Å; G59-R63 WeakPolarHBondContact O-CB 3.12Å; G59-R63 PolarHBondContact O-N 2.83Å; G59-R63 VanDerWaalsContact O-N 3.1Å
60	L	85.4	Confident	86.2	Confident	47 Å²	47	43.6 Å²	43.6	25%	0.246	24%	0.243	C	C	.	.	H	α-helix	trans	-61.1	-55.9	178.3	177.6	62.9	0	0	0	110.6	F42 F56 T62 R63 I64 I68	F42-L60 HydrophobicContact CD2-CD2 4.07Å; F42-L60 HydrophobicContact CE2-CD2 4Å; F56-L60 HydrophobicContact CE1-CB 4.38Å; F56-L60 HydrophobicContact CE1-CD2 3.77Å; F56-L60 HydrophobicContact CZ-CB 4.43Å; F56-L60 HydrophobicContact CZ-CD2 3.97Å; F56-L60 VanDerWaalsContact O-CB 3.26Å; F56-L60 WeakPolarHBondContact O-CB 3.25Å; F56-L60 PolarHBondContact O-N 3.41Å; L60-T62 VanDerWaalsContact C-N 3.32Å; L60-T62 PolarHBondContact O-N 3.31Å; L60-R63 PolarHBondContact O-N 3.42Å; L60-R63 VanDerWaalsContact O-N 3.11Å; L60-I64 HydrophobicContact CD1-CD1 4.19Å; L60-I64 HydrophobicContact CD1-CG2 4.15Å; L60-I64 HydrophobicContact CG-CD1 4.08Å; L60-I64 WeakPolarHBondContact O-CG1 3.49Å; L60-I64 PolarHBondContact O-N 2.9Å; L60-I68 HydrophobicContact CD2-CD1 4.19Å; L60-I68 HydrophobicContact CG-CD1 4.33Å
61	G	84.1	Confident	86.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-40.4	-176.7	0	0	0	0	0	112.8	Y57 R63 I64 G65 C66	Y57-G61 PolarHBondContact O-N 2.88Å; G61-R63 PolarHBondContact O-N 3.05Å; G61-I64 PolarHBondContact O-N 3.05Å; G61-G65 WeakPolarHBondContact O-CA 3.43Å; G61-G65 PolarHBondContact O-N 2.7Å; G61-C66 CarbonylContact C-O 3.54Å; G61-C66 VanDerWaalsContact C-O 3.29Å; G61-C66 WeakPolarHBondContact CA-O 3.43Å; G61-C66 PolarHBondContact O-N 3.05Å; G61-C66 VanDerWaalsContact O-O 3.1Å
62	T	84.1	Confident	86.8	Confident	78 Å²	78	41.6 Å²	41.6	48%	0.479	22%	0.223	S	C	.	.	H	α-helix	trans	-63.3	-42.7	175.4	-56.3	0	0	0	0	111.5	V58 L60 G65	V58-T62 VanDerWaalsContact O-CB 3.29Å; V58-T62 WeakPolarHBondContact O-CB 3.24Å; V58-T62 PolarHBondContact O-N 3.5Å; V58-T62 PolarHBondContact O-OG1 3.49Å; L60-T62 VanDerWaalsContact C-N 3.32Å; L60-T62 PolarHBondContact O-N 3.31Å; T62-G65 PolarHBondContact O-N 3.41Å
63	R	84.3	Confident	87.1	Confident	230 Å²	230	36.8 Å²	36.8	87%	0.868	20%	0.2	S	C	*	.	H	α-helix	trans	-70.1	-33.7	-177.7	-168.9	170.9	-173.1	176.3	1.5	113.2	G59 L60 G61	G59-R63 WeakPolarHBondContact O-CB 3.12Å; G59-R63 PolarHBondContact O-N 2.83Å; G59-R63 VanDerWaalsContact O-N 3.1Å; L60-R63 PolarHBondContact O-N 3.42Å; L60-R63 VanDerWaalsContact O-N 3.11Å; G61-R63 PolarHBondContact O-N 3.05Å
64	I	82.3	Confident	87.4	Confident	74 Å²	74	35.3 Å²	35.3	38%	0.379	19%	0.193	S	C	.	.	H	α-helix	trans	-98.2	0.4	179.8	73.4	-176.1	0	0	0	113.3	V40 L60 G61 C66 I68	V40-I64 HydrophobicContact CG2-CD1 3.99Å; L60-I64 HydrophobicContact CD1-CD1 4.19Å; L60-I64 HydrophobicContact CD1-CG2 4.15Å; L60-I64 HydrophobicContact CG-CD1 4.08Å; L60-I64 WeakPolarHBondContact O-CG1 3.49Å; L60-I64 PolarHBondContact O-N 2.9Å; G61-I64 PolarHBondContact O-N 3.05Å; I64-C66 HydrophobicContact CD1-CB 4.19Å; I64-C66 HydrophobicContact CG1-CB 3.9Å; I64-C66 PolarHBondContact O-N 3.35Å; I64-C66 PolarHBondContact O-SG 3.36Å; I64-I68 HydrophobicContact CD1-CD1 4.49Å
65	G	80.8	Confident	87.6	Confident	37 Å²	37	37.2 Å²	37.2	38%	0.381	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	34.8	178.6	0	0	0	0	0	114.4	G61 T62	G61-G65 WeakPolarHBondContact O-CA 3.43Å; G61-G65 PolarHBondContact O-N 2.7Å; T62-G65 PolarHBondContact O-N 3.41Å
66	C	80.9	Confident	87.9	Confident	16 Å²	16	37.1 Å²	37.1	11%	0.108	21%	0.205	C	C	.	.			trans	-130.4	156.4	-178.1	-60.2	0	0	0	0	111.5	C32 Y38 V40 G61 I64	C32-C66 WeakPolarHBondContact CB-O 3.46Å; Y38-C66 WeakPolarHBondContact O-CA 3.49Å; V40-C66 HydrophobicContact CG2-CB 4.23Å; G61-C66 CarbonylContact C-O 3.54Å; G61-C66 VanDerWaalsContact C-O 3.29Å; G61-C66 WeakPolarHBondContact CA-O 3.43Å; G61-C66 PolarHBondContact O-N 3.05Å; G61-C66 VanDerWaalsContact O-O 3.1Å; I64-C66 HydrophobicContact CD1-CB 4.19Å; I64-C66 HydrophobicContact CG1-CB 3.9Å; I64-C66 PolarHBondContact O-N 3.35Å; I64-C66 PolarHBondContact O-SG 3.36Å
67	N	84.3	Confident	88	Confident	13 Å²	13	35 Å²	35	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	157.8	163.2	-67.3	-20	0	0	0	109.9	Y29 V30 R31 C32 A36 Y38 T39 V40	Y29-N67 HydrophobicContact CE1-CB 4.13Å; Y29-N67 WeakPolarHBondContact OH-CB 3.28Å; Y29-N67 PolarHBondContact OH-ND2 3.49Å; V30-N67 WeakPolarHBondContact O-CA 3.48Å; V30-N67 WeakPolarHBondContact O-CB 3.43Å; R31-N67 WeakPolarHBondContact CA-OD1 3.44Å; C32-N67 PolarHBondContact N-OD1 2.87Å; A36-N67 HydrophobicContact CB-CB 4.38Å; A36-N67 VanDerWaalsContact CB-CG 3.48Å; A36-N67 VanDerWaalsContact CB-OD1 3.31Å; A36-N67 WeakPolarHBondContact CB-OD1 3.38Å; Y38-N67 PolarHBondContact O-N 3.18Å; T39-N67 CarbonylContact C-O 3.53Å; T39-N67 VanDerWaalsContact CA-O 3.25Å; T39-N67 WeakPolarHBondContact CA-O 3.39Å; T39-N67 HydrophobicContact CG2-CB 4.15Å; V40-N67 PolarHBondContact N-O 2.88Å
68	I	85.8	Confident	88.3	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.9	175.2	-55.4	-59.8	0	0	0	108.6	Y29 V30 V40 F42 Y57 L60 I64	Y29-I68 CarbonylContact C-O 3.53Å; V30-I68 HydrophobicContact CB-CB 4.43Å; V30-I68 PolarHBondContact N-O 3.38Å; V30-I68 PolarHBondContact O-N 3.25Å; V40-I68 HydrophobicContact CB-CD1 3.86Å; V40-I68 HydrophobicContact CG2-CD1 4.26Å; F42-I68 HydrophobicContact CB-CG2 4.04Å; Y57-I68 HydrophobicContact CD1-CG2 3.75Å; Y57-I68 HydrophobicContact CE1-CG2 4.45Å; Y57-I68 HydrophobicContact CG-CG2 3.84Å; Y57-I68 WeakPolarHBondContact O-CG1 3.2Å; L60-I68 HydrophobicContact CD2-CD1 4.19Å; L60-I68 HydrophobicContact CG-CD1 4.33Å; I64-I68 HydrophobicContact CD1-CD1 4.49Å
69	F	88.9	Confident	88.7	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.8	166.5	178.7	-99.9	0	0	0	108.5	F15 C27 M28 Y29 T39 V40 L41 F42 A95 A98 L99	F15-F69 AromaticContact CE1-CE2 3.89Å; F15-F69 HydrophobicContact CE1-CE2 3.89Å; F15-F69 AromaticContact CZ-CE2 3.62Å; F15-F69 HydrophobicContact CZ-CE2 3.62Å; F15-F69 HydrophobicContact CZ-CZ 4.02Å; C27-F69 HydrophobicContact CB-CE2 3.71Å; C27-F69 HydrophobicContact CB-CZ 3.63Å; M28-F69 CarbonylContact O-C 3.54Å; M28-F69 VanDerWaalsContact O-CA 3.31Å; M28-F69 WeakPolarHBondContact O-CA 3.43Å; M28-F69 WeakPolarHBondContact O-CD2 3.46Å; Y29-F69 HydrophobicContact CD2-CB 3.87Å; Y29-F69 AromaticContact CD2-CD2 3.68Å; Y29-F69 HydrophobicContact CD2-CD2 3.68Å; Y29-F69 HydrophobicContact CD2-CG 4.18Å; Y29-F69 HydrophobicContact CE2-CB 4.32Å; Y29-F69 HydrophobicContact CG-CD2 4.31Å; T39-F69 HydrophobicContact CG2-CB 3.84Å; V40-F69 PolarHBondContact O-N 2.65Å; L41-F69 CarbonylContact C-O 3.58Å; L41-F69 WeakPolarHBondContact CA-O 3.45Å; L41-F69 HydrophobicContact CD1-CD1 3.5Å; L41-F69 HydrophobicContact CD1-CE1 3.91Å; F42-F69 PolarHBondContact N-O 2.86Å; F69-A95 HydrophobicContact CE1-CB 4.03Å; F69-A95 VanDerWaalsContact CE1-O 3.24Å; F69-A95 WeakPolarHBondContact CE1-O 3.16Å; F69-A98 HydrophobicContact CZ-CB 4.48Å; F69-L99 HydrophobicContact CB-CD1 3.88Å; F69-L99 HydrophobicContact CB-CD2 4.26Å; F69-L99 HydrophobicContact CD1-CB 3.82Å; F69-L99 HydrophobicContact CD1-CD1 4.1Å; F69-L99 HydrophobicContact CD1-CD2 3.89Å; F69-L99 HydrophobicContact CD1-CG 4.15Å; F69-L99 HydrophobicContact CD2-CD1 4.17Å; F69-L99 HydrophobicContact CE1-CB 3.75Å; F69-L99 HydrophobicContact CG-CB 4.31Å; F69-L99 HydrophobicContact CG-CD1 3.78Å; F69-L99 HydrophobicContact CG-CD2 4.26Å; F69-L99 HydrophobicContact CG-CG 4.33Å; F69-L99 HydrophobicContact CZ-CB 4.15Å
70	S	93.4	Very high	89.3	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	169.8	179.7	-165.4	0	0	0	0	110.3	C27 M28 F42 Y57	C27-S70 CarbonylContact C-O 3.57Å; C27-S70 WeakPolarHBondContact CA-O 3.3Å; M28-S70 PolarHBondContact N-O 3.44Å; M28-S70 PolarHBondContact O-N 2.65Å; F42-S70 WeakPolarHBondContact O-CA 3.49Å; F42-S70 VanDerWaalsContact O-CB 3.28Å; F42-S70 WeakPolarHBondContact O-CB 3.34Å; F42-S70 PolarHBondContact O-OG 3.01Å; Y57-S70 PolarHBondContact OH-OG 2.97Å
71	Y	94.7	Very high	89.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	151.6	-178.1	64.3	-78	0	0	0	110.3	I25 A26 L41 S43 H44 Y73 D91 I92 A95	I25-Y71 HydrophobicContact CG2-CD2 4.07Å; A26-Y71 CarbonylContact O-C 3.38Å; A26-Y71 WeakPolarHBondContact O-CA 3.47Å; A26-Y71 VanDerWaalsContact O-CB 3.3Å; A26-Y71 WeakPolarHBondContact O-CB 3.5Å; L41-Y71 HydrophobicContact CD1-CD1 3.98Å; L41-Y71 HydrophobicContact CD1-CE1 4.01Å; S43-Y71 PolarHBondContact OG-OH 3.08Å; H44-Y71 PolarHBondContact CD2-O 3.36Å; H44-Y71 PolarHBondContact NE2-O 2.85Å; Y71-Y73 AromaticContact CE2-CD1 3.89Å; Y71-Y73 HydrophobicContact CE2-CD1 3.89Å; Y71-Y73 AromaticContact CE2-CE1 3.91Å; Y71-Y73 HydrophobicContact CE2-CE1 3.91Å; Y71-D91 HydrophobicContact CE2-CB 4.25Å; Y71-I92 HydrophobicContact CD1-CD1 4.47Å; Y71-I92 HydrophobicContact CE1-CD1 3.37Å; Y71-I92 HydrophobicContact CE2-CB 4.39Å; Y71-I92 WeakPolarHBondContact OH-CB 3.49Å; Y71-I92 WeakPolarHBondContact OH-CD1 3.47Å; Y71-A95 HydrophobicContact CD1-CB 3.36Å; Y71-A95 HydrophobicContact CD2-CB 3.91Å; Y71-A95 HydrophobicContact CE1-CB 4Å; Y71-A95 HydrophobicContact CE2-CB 4.46Å; Y71-A95 HydrophobicContact CG-CB 3.34Å
72	D	95.5	Very high	90.3	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.032	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-86.5	134.2	171.9	-80.7	-32.8	0	0	0	110	I25 A26 H44 D49 L50 S79	I25-D72 WeakPolarHBondContact CG2-O 3.27Å; A26-D72 HydrophobicContact CB-CB 4.29Å; A26-D72 PolarHBondContact O-N 3.06Å; H44-D72 IonicContact NE2-OD1 3.4Å; H44-D72 PolarHBondContact NE2-OD1 3.25Å; D49-D72 WeakPolarHBondContact CA-OD1 3.35Å; L50-D72 HydrophobicContact CD1-CB 4.37Å; L50-D72 HydrophobicContact CG-CB 4.43Å; L50-D72 WeakPolarHBondContact CG-OD1 3.47Å; L50-D72 PolarHBondContact N-OD1 3.37Å; D72-S79 VanDerWaalsContact CB-OG 3.28Å; D72-S79 WeakPolarHBondContact CB-OG 3.44Å; D72-S79 PolarHBondContact O-OG 2.87Å
73	Y	93.8	Very high	90.5	Very high	18 Å²	18	48.6 Å²	48.6	7%	0.071	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-63.9	161	171.6	-50	-78.8	0	0	0	112.6	S43 H44 Y71 G75 Y76 S79 L88	S43-Y73 WeakPolarHBondContact CB-OH 3.44Å; H44-Y73 AromaticContact CE1-CD2 3.48Å; H44-Y73 VanDerWaalsContact CE1-CD2 3.48Å; H44-Y73 WeakPolarHBondContact CE1-CD2 3.47Å; H44-Y73 AromaticContact CE1-CE2 3.45Å; H44-Y73 VanDerWaalsContact CE1-CE2 3.45Å; H44-Y73 WeakPolarHBondContact CE1-CE2 3.33Å; H44-Y73 PolarHBondContact N-OH 3.34Å; H44-Y73 AromaticContact ND1-CE2 3.65Å; H44-Y73 AromaticContact NE2-CD2 3.75Å; H44-Y73 AromaticContact NE2-CE2 3.77Å; H44-Y73 WeakPolarHBondContact O-CE2 3.29Å; H44-Y73 PolarHBondContact O-OH 3.07Å; Y71-Y73 AromaticContact CE2-CD1 3.89Å; Y71-Y73 HydrophobicContact CE2-CD1 3.89Å; Y71-Y73 AromaticContact CE2-CE1 3.91Å; Y71-Y73 HydrophobicContact CE2-CE1 3.91Å; Y73-G75 PolarHBondContact O-N 2.84Å; Y73-Y76 HydrophobicContact CD2-CD2 4.49Å; Y73-Y76 WeakPolarHBondContact O-CB 3.29Å; Y73-Y76 PolarHBondContact O-N 2.84Å; Y73-S79 WeakPolarHBondContact O-CB 3.34Å; Y73-L88 HydrophobicContact CD1-CD1 3.78Å; Y73-L88 HydrophobicContact CD1-CG 3.94Å; Y73-L88 HydrophobicContact CE1-CD1 3.76Å; Y73-L88 HydrophobicContact CE1-CG 4.02Å
74	S	95.8	Very high	90.7	Very high	1 Å²	1	40 Å²	40	1%	0.007	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	124.2	172.4	-68.8	0	0	0	0	112	N23 S80 R82 P83 D91	N23-S74 PolarHBondContact ND2-OG 3.35Å; S74-S80 VanDerWaalsContact CA-O 3.3Å; S74-S80 WeakPolarHBondContact CA-O 3.44Å; S74-S80 WeakPolarHBondContact CB-O 3.3Å; S74-R82 CarbonylContact O-C 3.25Å; S74-R82 VanDerWaalsContact O-C 3.25Å; S74-P83 WeakPolarHBondContact O-CA 3.46Å; S74-P83 VanDerWaalsContact O-N 3.15Å; S74-D91 WeakPolarHBondContact CB-OD2 3.3Å; S74-D91 PolarHBondContact N-OD2 3.49Å; S74-D91 PolarHBondContact OG-OD1 2.92Å; S74-D91 VanDerWaalsContact OG-OD1 3.07Å; S74-D91 PolarHBondContact OG-OD2 3Å
75	G	91.9	Very high	90.7	Very high	40 Å²	40	41.2 Å²	41.2	41%	0.412	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	3.5	-178	0	0	0	0	0	115.4	Y73 S79 S80	Y73-G75 PolarHBondContact O-N 2.84Å; G75-S79 PolarHBondContact N-O 2.85Å; G75-S80 PolarHBondContact N-O 3.29Å
76	Y	91.6	Very high	90.9	Very high	44 Å²	44	46.4 Å²	46.4	17%	0.173	27%	0.265	C	S	.	.	S	Bend	trans	-102.3	150.6	171.8	-78.2	-114.2	0	0	0	111.2	H44 N46 V48 Y73 I78 S79 P83	H44-Y76 AromaticContact CE1-CD1 3.9Å; N46-Y76 PolarHBondContact OD1-OH 2.8Å; V48-Y76 WeakPolarHBondContact O-CD1 3.36Å; Y73-Y76 HydrophobicContact CD2-CD2 4.49Å; Y73-Y76 WeakPolarHBondContact O-CB 3.29Å; Y73-Y76 PolarHBondContact O-N 2.84Å; Y76-I78 PolarHBondContact O-N 3.04Å; Y76-I78 VanDerWaalsContact O-N 3.12Å; Y76-S79 WeakPolarHBondContact O-CA 3.41Å; Y76-S79 VanDerWaalsContact O-CB 3.26Å; Y76-S79 WeakPolarHBondContact O-CB 3.29Å; Y76-S79 PolarHBondContact O-N 2.78Å; Y76-P83 HydrophobicContact CD2-CG 4.35Å; Y76-P83 HydrophobicContact CE2-CB 4.42Å; Y76-P83 HydrophobicContact CE2-CG 3.94Å
77	G	91.6	Very high	91.4	Very high	52 Å²	52	46.2 Å²	46.2	54%	0.536	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	-119.6	176.9	0	0	0	0	0	112.2
78	I	93.8	Very high	91.5	Very high	119 Å²	119	46.7 Å²	46.7	61%	0.61	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.9	175.9	70.1	173.6	0	0	0	113.6	A26 Y76	A26-I78 HydrophobicContact CB-CD1 4.06Å; A26-I78 HydrophobicContact CB-CG1 3.61Å; Y76-I78 PolarHBondContact O-N 3.04Å; Y76-I78 VanDerWaalsContact O-N 3.12Å
79	S	96.2	Very high	91.4	Very high	9 Å²	9	48.1 Å²	48.1	6%	0.063	27%	0.271	C	S	.	.			trans	-66	136.9	176.4	-72.6	0	0	0	0	110.6	R24 I25 A26 D72 Y73 G75 Y76	R24-S79 CarbonylContact O-C 3.5Å; R24-S79 VanDerWaalsContact O-CA 3.26Å; R24-S79 WeakPolarHBondContact O-CA 3.44Å; R24-S79 WeakPolarHBondContact O-CB 3.38Å; I25-S79 WeakPolarHBondContact CA-OG 3.18Å; A26-S79 PolarHBondContact N-OG 3.41Å; D72-S79 VanDerWaalsContact CB-OG 3.28Å; D72-S79 WeakPolarHBondContact CB-OG 3.44Å; D72-S79 PolarHBondContact O-OG 2.87Å; Y73-S79 WeakPolarHBondContact O-CB 3.34Å; G75-S79 PolarHBondContact N-O 2.85Å; Y76-S79 WeakPolarHBondContact O-CA 3.41Å; Y76-S79 VanDerWaalsContact O-CB 3.26Å; Y76-S79 WeakPolarHBondContact O-CB 3.29Å; Y76-S79 PolarHBondContact O-N 2.78Å
80	S	97.3	Very high	91.3	Very high	31 Å²	31	48.6 Å²	48.6	22%	0.217	28%	0.275	C	S	.	.			trans	-80.7	174.4	-179	71.7	0	0	0	0	112.2	N23 R24 S74 G75	N23-S80 WeakPolarHBondContact CA-OG 3.33Å; R24-S80 PolarHBondContact N-OG 3.4Å; R24-S80 PolarHBondContact O-N 3.34Å; S74-S80 VanDerWaalsContact CA-O 3.3Å; S74-S80 WeakPolarHBondContact CA-O 3.44Å; S74-S80 WeakPolarHBondContact CB-O 3.3Å; G75-S80 PolarHBondContact N-O 3.29Å
81	G	95.1	Very high	91.3	Very high	51 Å²	51	48.6 Å²	48.6	53%	0.526	28%	0.275	S	S	.	.	S	Bend	trans	88.7	-151.4	174.2	0	0	0	0	0	111.7
82	R	93.4	Very high	91	Very high	189 Å²	189	49.7 Å²	49.7	71%	0.713	28%	0.281	S	S	*	.			trans	-142.7	152.6	-179	59.7	-177.6	173.1	-172.5	-1.7	110.9	S74 S84 N87	S74-R82 CarbonylContact O-C 3.25Å; S74-R82 VanDerWaalsContact O-C 3.25Å; R82-S84 PolarHBondContact O-N 3.05Å; R82-N87 PolarHBondContact O-ND2 2.9Å
83	P	89	Confident	90.5	Very high	88 Å²	88	53.3 Å²	53.3	57%	0.571	30%	0.3	S	S	*	.			trans	-60.8	128	175.2	-23	34.9	0	0	0	110.3	S74 Y76	S74-P83 WeakPolarHBondContact O-CA 3.46Å; S74-P83 VanDerWaalsContact O-N 3.15Å; Y76-P83 HydrophobicContact CD2-CG 4.35Å; Y76-P83 HydrophobicContact CE2-CB 4.42Å; Y76-P83 HydrophobicContact CE2-CG 3.94Å
84	S	88.1	Confident	90.2	Very high	51 Å²	51	52.8 Å²	52.8	36%	0.357	30%	0.299	S	S	.	.			trans	-165.5	150.4	168.4	63.7	0	0	0	0	108	R82 K86 N87 L88	R82-S84 PolarHBondContact O-N 3.05Å; S84-K86 VanDerWaalsContact C-N 3.3Å; S84-K86 PolarHBondContact O-N 2.8Å; S84-N87 PolarHBondContact O-N 2.84Å; S84-N87 WeakPolarHBondContact OG-CB 3.29Å; S84-N87 VanDerWaalsContact OG-CG 3.3Å; S84-N87 PolarHBondContact OG-N 2.76Å; S84-N87 PolarHBondContact OG-ND2 3.04Å; S84-L88 PolarHBondContact O-N 2.86Å
85	E	83.4	Confident	89.8	Confident	99 Å²	99	52.7 Å²	52.7	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-50.9	-48.9	178.1	-154.5	-158.7	144.6	0	0	112	N87 L88 Y89 V123	E85-N87 VanDerWaalsContact C-N 3.26Å; E85-N87 PolarHBondContact O-N 3.04Å; E85-L88 WeakPolarHBondContact O-CB 3.31Å; E85-L88 PolarHBondContact O-N 3.48Å; E85-Y89 HydrophobicContact CB-CE2 4.41Å; E85-Y89 HydrophobicContact CG-CD2 4.4Å; E85-Y89 HydrophobicContact CG-CE2 3.58Å; E85-Y89 WeakPolarHBondContact O-CD2 3.31Å; E85-Y89 PolarHBondContact O-N 3.18Å; E85-Y89 VanDerWaalsContact O-N 3.1Å; E85-Y89 VanDerWaalsContact OE1-CE2 3.24Å; E85-Y89 WeakPolarHBondContact OE1-CE2 3.32Å; E85-Y89 PolarHBondContact OE1-OH 3.05Å; E85-V123 WeakPolarHBondContact CG-O 3.49Å
86	K	84.4	Confident	89.3	Confident	146 Å²	146	53.6 Å²	53.6	64%	0.635	29%	0.29	S	S	*	.	H	α-helix	trans	-58.3	-34.2	177.5	-67.1	-176.7	-179.6	178.4	0	114.1	R21 S84	R21-K86 WeakPolarHBondContact CD-O 3.32Å; S84-K86 VanDerWaalsContact C-N 3.3Å; S84-K86 PolarHBondContact O-N 2.8Å
87	N	91.5	Very high	88.7	Confident	11 Å²	11	56.2 Å²	56.2	6%	0.059	30%	0.304	C	S	.	.	H	α-helix	trans	-76.2	-42.9	175.1	-73.3	-17.3	0	0	0	110.3	R21 N23 R82 S84 E85 Y89 A90 D91	R21-N87 VanDerWaalsContact CD-OD1 3.22Å; R21-N87 WeakPolarHBondContact CD-OD1 3.45Å; R21-N87 PolarHBondContact NE-OD1 3.34Å; N23-N87 PolarHBondContact ND2-OD1 3.15Å; R82-N87 PolarHBondContact O-ND2 2.9Å; S84-N87 PolarHBondContact O-N 2.84Å; S84-N87 WeakPolarHBondContact OG-CB 3.29Å; S84-N87 VanDerWaalsContact OG-CG 3.3Å; S84-N87 PolarHBondContact OG-N 2.76Å; S84-N87 PolarHBondContact OG-ND2 3.04Å; E85-N87 VanDerWaalsContact C-N 3.26Å; E85-N87 PolarHBondContact O-N 3.04Å; N87-Y89 VanDerWaalsContact C-N 3.3Å; N87-Y89 PolarHBondContact O-N 2.72Å; N87-A90 CarbonylContact O-C 3.54Å; N87-A90 WeakPolarHBondContact O-CA 3.46Å; N87-A90 WeakPolarHBondContact O-CB 3.5Å; N87-A90 PolarHBondContact O-N 3.44Å; N87-D91 WeakPolarHBondContact O-CB 3.38Å; N87-D91 PolarHBondContact O-N 2.81Å; N87-D91 VanDerWaalsContact O-OD1 3.13Å; N87-D91 VanDerWaalsContact O-OD2 3.11Å
88	L	86.1	Confident	88.2	Confident	23 Å²	23	54 Å²	54	12%	0.12	28%	0.28	C	S	.	.	H	α-helix	trans	-53.3	-46.1	179.8	-179.6	139.6	0	0	0	112.1	Y73 S84 E85 D91 I92 V123 I124	Y73-L88 HydrophobicContact CD1-CD1 3.78Å; Y73-L88 HydrophobicContact CD1-CG 3.94Å; Y73-L88 HydrophobicContact CE1-CD1 3.76Å; Y73-L88 HydrophobicContact CE1-CG 4.02Å; S84-L88 PolarHBondContact O-N 2.86Å; E85-L88 WeakPolarHBondContact O-CB 3.31Å; E85-L88 PolarHBondContact O-N 3.48Å; L88-D91 PolarHBondContact O-N 2.78Å; L88-I92 PolarHBondContact O-N 3.49Å; L88-V123 HydrophobicContact CD1-CG1 3.7Å; L88-V123 HydrophobicContact CD2-CG1 3.72Å; L88-V123 HydrophobicContact CG-CG1 4.32Å; L88-I124 HydrophobicContact CD2-CD1 3.74Å; L88-I124 HydrophobicContact CD2-CG1 3.35Å
89	Y	83.6	Confident	87.3	Confident	31 Å²	31	49.7 Å²	49.7	12%	0.122	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-47.9	172.1	-64.9	-66.4	0	0	0	113.3	E85 N87 D91 I92 D93 V123 I124 D125 H128	E85-Y89 HydrophobicContact CB-CE2 4.41Å; E85-Y89 HydrophobicContact CG-CD2 4.4Å; E85-Y89 HydrophobicContact CG-CE2 3.58Å; E85-Y89 WeakPolarHBondContact O-CD2 3.31Å; E85-Y89 PolarHBondContact O-N 3.18Å; E85-Y89 VanDerWaalsContact O-N 3.1Å; E85-Y89 VanDerWaalsContact OE1-CE2 3.24Å; E85-Y89 WeakPolarHBondContact OE1-CE2 3.32Å; E85-Y89 PolarHBondContact OE1-OH 3.05Å; N87-Y89 VanDerWaalsContact C-N 3.3Å; N87-Y89 PolarHBondContact O-N 2.72Å; Y89-D91 PolarHBondContact O-N 2.8Å; Y89-I92 WeakPolarHBondContact O-CG2 3.32Å; Y89-D93 WeakPolarHBondContact O-CB 3.34Å; Y89-D93 PolarHBondContact O-N 3.01Å; Y89-D93 VanDerWaalsContact O-N 3.08Å; Y89-V123 PolarHBondContact OH-O 3.44Å; Y89-I124 HydrophobicContact CD1-CG1 4.47Å; Y89-I124 HydrophobicContact CD1-CG2 4.04Å; Y89-I124 HydrophobicContact CE1-CB 3.94Å; Y89-I124 HydrophobicContact CE1-CG1 4.23Å; Y89-I124 HydrophobicContact CE1-CG2 3.66Å; Y89-I124 WeakPolarHBondContact OH-CA 3.48Å; Y89-D125 PolarHBondContact OH-N 3.27Å; Y89-H128 AromaticContact CD1-CE1 3.17Å; Y89-H128 WeakPolarHBondContact CD1-CE1 3.22Å; Y89-H128 AromaticContact CD1-ND1 3.56Å; Y89-H128 AromaticContact CD1-NE2 3.63Å; Y89-H128 AromaticContact CE1-CE1 3.78Å; Y89-H128 AromaticContact CE1-NE2 3.81Å; Y89-H128 AromaticContact CG-CE1 3.84Å
90	A	86.8	Confident	86	Confident	10 Å²	10	52.8 Å²	52.8	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-64.6	-28.5	-179.7	0	0	0	0	0	112	S19 R21 N87 A94	S19-A90 VanDerWaalsContact CB-O 3.31Å; S19-A90 WeakPolarHBondContact CB-O 3.48Å; R21-A90 HydrophobicContact CB-CB 4.32Å; R21-A90 HydrophobicContact CG-CB 3.72Å; N87-A90 CarbonylContact O-C 3.54Å; N87-A90 WeakPolarHBondContact O-CA 3.46Å; N87-A90 WeakPolarHBondContact O-CB 3.5Å; N87-A90 PolarHBondContact O-N 3.44Å; A90-A94 WeakPolarHBondContact O-CB 3.25Å; A90-A94 PolarHBondContact O-N 3.27Å
91	D	93.4	Very high	84.1	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-79.3	-45.4	-177.4	-59.2	-20	0	0	0	111.2	S19 I25 Y71 S74 N87 L88 Y89 D93 A94 A95	S19-D91 WeakPolarHBondContact CB-OD1 3.46Å; S19-D91 PolarHBondContact OG-OD1 3.44Å; I25-D91 HydrophobicContact CD1-CB 3.95Å; I25-D91 WeakPolarHBondContact CD1-OD1 3.34Å; I25-D91 HydrophobicContact CG1-CB 4.14Å; Y71-D91 HydrophobicContact CE2-CB 4.25Å; S74-D91 WeakPolarHBondContact CB-OD2 3.3Å; S74-D91 PolarHBondContact N-OD2 3.49Å; S74-D91 PolarHBondContact OG-OD1 2.92Å; S74-D91 VanDerWaalsContact OG-OD1 3.07Å; S74-D91 PolarHBondContact OG-OD2 3Å; N87-D91 WeakPolarHBondContact O-CB 3.38Å; N87-D91 PolarHBondContact O-N 2.81Å; N87-D91 VanDerWaalsContact O-OD1 3.13Å; N87-D91 VanDerWaalsContact O-OD2 3.11Å; L88-D91 PolarHBondContact O-N 2.78Å; Y89-D91 PolarHBondContact O-N 2.8Å; D91-D93 VanDerWaalsContact C-N 3.29Å; D91-D93 PolarHBondContact O-N 3.5Å; D91-A94 WeakPolarHBondContact O-CB 3.44Å; D91-A94 PolarHBondContact O-N 3.1Å; D91-A95 WeakPolarHBondContact O-CB 3.36Å; D91-A95 PolarHBondContact O-N 3.41Å
92	I	88.4	Confident	82	Confident	24 Å²	24	56.5 Å²	56.5	12%	0.123	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-39.6	172.4	-177	63.3	0	0	0	110.9	L41 Y71 L88 Y89 A94 A95 W96	L41-I92 HydrophobicContact CD1-CD1 4.21Å; L41-I92 HydrophobicContact CD2-CD1 3.65Å; L41-I92 HydrophobicContact CG-CD1 4.07Å; Y71-I92 HydrophobicContact CD1-CD1 4.47Å; Y71-I92 HydrophobicContact CE1-CD1 3.37Å; Y71-I92 HydrophobicContact CE2-CB 4.39Å; Y71-I92 WeakPolarHBondContact OH-CB 3.49Å; Y71-I92 WeakPolarHBondContact OH-CD1 3.47Å; L88-I92 PolarHBondContact O-N 3.49Å; Y89-I92 WeakPolarHBondContact O-CG2 3.32Å; I92-A94 VanDerWaalsContact C-N 3.35Å; I92-A94 PolarHBondContact O-N 3.08Å; I92-A95 PolarHBondContact O-N 3.03Å; I92-W96 VanDerWaalsContact O-CB 3.25Å; I92-W96 WeakPolarHBondContact O-CB 3.41Å; I92-W96 PolarHBondContact O-N 3.3Å
93	D	84.9	Confident	79.5	Confident	81 Å²	81	55 Å²	55	43%	0.433	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-43.6	174.9	-82.7	-21.8	0	0	0	111.1	Y89 D91 A95 W96 Q97	Y89-D93 WeakPolarHBondContact O-CB 3.34Å; Y89-D93 PolarHBondContact O-N 3.01Å; Y89-D93 VanDerWaalsContact O-N 3.08Å; D91-D93 VanDerWaalsContact C-N 3.29Å; D91-D93 PolarHBondContact O-N 3.5Å; D93-A95 PolarHBondContact O-N 3.11Å; D93-W96 PolarHBondContact O-N 3.36Å; D93-Q97 WeakPolarHBondContact O-CB 3.17Å; D93-Q97 WeakPolarHBondContact O-CG 3.24Å; D93-Q97 PolarHBondContact O-N 2.55Å
94	A	87.1	Confident	77.2	Confident	7 Å²	7	57.3 Å²	57.3	6%	0.058	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-39.9	177.7	0	0	0	0	0	112.5	T17 A90 D91 I92 A98	T17-A94 HydrophobicContact CG2-CB 3.87Å; A90-A94 WeakPolarHBondContact O-CB 3.25Å; A90-A94 PolarHBondContact O-N 3.27Å; D91-A94 WeakPolarHBondContact O-CB 3.44Å; D91-A94 PolarHBondContact O-N 3.1Å; I92-A94 VanDerWaalsContact C-N 3.35Å; I92-A94 PolarHBondContact O-N 3.08Å; A94-A98 WeakPolarHBondContact O-CB 3.49Å; A94-A98 PolarHBondContact O-N 3.12Å
95	A	87.8	Confident	75.3	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68.8	-44.7	177.6	0	0	0	0	0	111.2	F69 Y71 D91 I92 D93 A98 L99	F69-A95 HydrophobicContact CE1-CB 4.03Å; F69-A95 VanDerWaalsContact CE1-O 3.24Å; F69-A95 WeakPolarHBondContact CE1-O 3.16Å; Y71-A95 HydrophobicContact CD1-CB 3.36Å; Y71-A95 HydrophobicContact CD2-CB 3.91Å; Y71-A95 HydrophobicContact CE1-CB 4Å; Y71-A95 HydrophobicContact CE2-CB 4.46Å; Y71-A95 HydrophobicContact CG-CB 3.34Å; D91-A95 WeakPolarHBondContact O-CB 3.36Å; D91-A95 PolarHBondContact O-N 3.41Å; I92-A95 PolarHBondContact O-N 3.03Å; D93-A95 PolarHBondContact O-N 3.11Å; A95-A98 PolarHBondContact O-N 2.98Å; A95-L99 WeakPolarHBondContact O-CB 3.32Å; A95-L99 PolarHBondContact O-N 2.88Å
96	W	81.7	Confident	73.3	Confident	58 Å²	58	59.3 Å²	59.3	22%	0.22	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-47	173.7	174.5	-123.3	0	0	0	111.4	L41 I92 D93 A98 L99 R100 L132	L41-W96 HydrophobicContact CD2-CB 4.21Å; L41-W96 HydrophobicContact CD2-CE3 3.82Å; I92-W96 VanDerWaalsContact O-CB 3.25Å; I92-W96 WeakPolarHBondContact O-CB 3.41Å; I92-W96 PolarHBondContact O-N 3.3Å; D93-W96 PolarHBondContact O-N 3.36Å; W96-A98 VanDerWaalsContact C-N 3.35Å; W96-A98 PolarHBondContact O-N 3.01Å; W96-L99 HydrophobicContact CE3-CD2 4.22Å; W96-L99 HydrophobicContact CZ3-CD2 4.29Å; W96-L99 PolarHBondContact O-N 3.5Å; W96-R100 HydrophobicContact CD2-CG 4.2Å; W96-R100 HydrophobicContact CE3-CG 4.39Å; W96-R100 HydrophobicContact CZ2-CG 4.4Å; W96-R100 VanDerWaalsContact O-CB 3.31Å; W96-R100 WeakPolarHBondContact O-CB 3.27Å; W96-R100 WeakPolarHBondContact O-CG 3.31Å; W96-R100 PolarHBondContact O-N 3.29Å; W96-L132 HydrophobicContact CZ2-CD2 4.47Å
97	Q	79.6	Confident	71.1	Confident	99 Å²	99	57.9 Å²	57.9	46%	0.463	30%	0.304	S	S	.	.	H	α-helix	trans	-61.2	-45	174.4	-69.8	-60.7	-14.2	0	0	110.5	D93 L99 R100 T101	D93-Q97 WeakPolarHBondContact O-CB 3.17Å; D93-Q97 WeakPolarHBondContact O-CG 3.24Å; D93-Q97 PolarHBondContact O-N 2.55Å; Q97-L99 PolarHBondContact O-N 3.44Å; Q97-R100 CarbonylContact O-C 3.43Å; Q97-R100 WeakPolarHBondContact O-CA 3.4Å; Q97-R100 VanDerWaalsContact O-CB 3.32Å; Q97-R100 WeakPolarHBondContact O-CB 3.07Å; Q97-R100 PolarHBondContact O-N 3.28Å; Q97-T101 WeakPolarHBondContact O-CB 3.45Å; Q97-T101 WeakPolarHBondContact O-CG2 3.24Å; Q97-T101 PolarHBondContact O-N 3.12Å; Q97-T101 PolarHBondContact O-OG1 2.91Å
98	A	80.8	Confident	68.8	Low	6 Å²	6	64.1 Å²	64.1	5%	0.05	33%	0.33	C	S	.	.	H	α-helix	trans	-61	-44.1	178.2	0	0	0	0	0	113.3	F15 T17 F69 A94 A95 W96 R100 T101 S102	F15-A98 HydrophobicContact CE2-CB 3.86Å; F15-A98 HydrophobicContact CZ-CB 4.17Å; T17-A98 HydrophobicContact CG2-CB 4.14Å; F69-A98 HydrophobicContact CZ-CB 4.48Å; A94-A98 WeakPolarHBondContact O-CB 3.49Å; A94-A98 PolarHBondContact O-N 3.12Å; A95-A98 PolarHBondContact O-N 2.98Å; W96-A98 VanDerWaalsContact C-N 3.35Å; W96-A98 PolarHBondContact O-N 3.01Å; A98-R100 PolarHBondContact O-N 2.85Å; A98-T101 WeakPolarHBondContact CA-OG1 3.35Å; A98-T101 PolarHBondContact O-N 2.99Å; A98-S102 PolarHBondContact O-N 3.36Å
99	L	75	Confident	67.1	Low	28 Å²	28	66 Å²	66	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-56.7	-40.4	173.1	178.7	57.9	0	0	0	110.6	Y29 T39 L41 F69 A95 W96 Q97 S102	Y29-L99 HydrophobicContact CD2-CD1 4.18Å; Y29-L99 HydrophobicContact CE2-CD1 3.98Å; T39-L99 HydrophobicContact CG2-CD1 4.27Å; L41-L99 HydrophobicContact CB-CD2 4.1Å; F69-L99 HydrophobicContact CB-CD1 3.88Å; F69-L99 HydrophobicContact CB-CD2 4.26Å; F69-L99 HydrophobicContact CD1-CB 3.82Å; F69-L99 HydrophobicContact CD1-CD1 4.1Å; F69-L99 HydrophobicContact CD1-CD2 3.89Å; F69-L99 HydrophobicContact CD1-CG 4.15Å; F69-L99 HydrophobicContact CD2-CD1 4.17Å; F69-L99 HydrophobicContact CE1-CB 3.75Å; F69-L99 HydrophobicContact CG-CB 4.31Å; F69-L99 HydrophobicContact CG-CD1 3.78Å; F69-L99 HydrophobicContact CG-CD2 4.26Å; F69-L99 HydrophobicContact CG-CG 4.33Å; F69-L99 HydrophobicContact CZ-CB 4.15Å; A95-L99 WeakPolarHBondContact O-CB 3.32Å; A95-L99 PolarHBondContact O-N 2.88Å; W96-L99 HydrophobicContact CE3-CD2 4.22Å; W96-L99 HydrophobicContact CZ3-CD2 4.29Å; W96-L99 PolarHBondContact O-N 3.5Å; Q97-L99 PolarHBondContact O-N 3.44Å; L99-S102 PolarHBondContact O-OG 2.96Å
100	R	68.4	Low	65.8	Low	74 Å²	74	69 Å²	69	28%	0.279	36%	0.362	S	S	.	.	H	α-helix	trans	-75.4	-39	178.8	-76.5	-176.7	76.6	93	-10.9	114.1	W96 Q97 A98 S102 V106	W96-R100 HydrophobicContact CD2-CG 4.2Å; W96-R100 HydrophobicContact CE3-CG 4.39Å; W96-R100 HydrophobicContact CZ2-CG 4.4Å; W96-R100 VanDerWaalsContact O-CB 3.31Å; W96-R100 WeakPolarHBondContact O-CB 3.27Å; W96-R100 WeakPolarHBondContact O-CG 3.31Å; W96-R100 PolarHBondContact O-N 3.29Å; Q97-R100 CarbonylContact O-C 3.43Å; Q97-R100 WeakPolarHBondContact O-CA 3.4Å; Q97-R100 VanDerWaalsContact O-CB 3.32Å; Q97-R100 WeakPolarHBondContact O-CB 3.07Å; Q97-R100 PolarHBondContact O-N 3.28Å; A98-R100 PolarHBondContact O-N 2.85Å; R100-S102 VanDerWaalsContact C-N 3.3Å; R100-V106 HydrophobicContact CB-CG2 3.43Å; R100-V106 VanDerWaalsContact CB-CG2 3.43Å; R100-V106 HydrophobicContact CG-CG2 3.59Å; R100-V106 WeakPolarHBondContact O-CG2 3.42Å
101	T	58.2	Low	64.3	Low	92 Å²	92	69.8 Å²	69.8	56%	0.564	37%	0.366	S	S	*	.	H	α-helix	trans	-90.2	6.9	-176.6	55.1	0	0	0	0	112.7	Q97 A98 I103	Q97-T101 WeakPolarHBondContact O-CB 3.45Å; Q97-T101 WeakPolarHBondContact O-CG2 3.24Å; Q97-T101 PolarHBondContact O-N 3.12Å; Q97-T101 PolarHBondContact O-OG1 2.91Å; A98-T101 WeakPolarHBondContact CA-OG1 3.35Å; A98-T101 PolarHBondContact O-N 2.99Å; T101-I103 PolarHBondContact O-N 3.49Å
102	S	50.7	Low	63.1	Low	68 Å²	68	70.3 Å²	70.3	48%	0.476	37%	0.37	S	S	.	.	S	Bend	trans	-67.6	55.3	153.9	72.9	0	0	0	0	111.2	A98 L99 R100 E104	A98-S102 PolarHBondContact O-N 3.36Å; L99-S102 PolarHBondContact O-OG 2.96Å; R100-S102 VanDerWaalsContact C-N 3.3Å; S102-E104 PolarHBondContact O-N 3.01Å
103	I	40.5	Very low	62.4	Low	157 Å²	157	71 Å²	71	81%	0.805	38%	0.375	S	S	*	.	S	Bend	trans	49.3	-12.1	154.4	-90.7	159.2	0	0	0	123.1	T101	T101-I103 PolarHBondContact O-N 3.49Å
104	E	41.8	Very low	62.3	Low	137 Å²	137	68.6 Å²	68.6	64%	0.64	36%	0.362	S	S	*	.	S	Bend	trans	-136.9	-10.1	-179.5	-71.9	-147.4	-176.8	0	0	119.6	S102	S102-E104 PolarHBondContact O-N 3.01Å
105	K	47	Very low	62	Low	145 Å²	145	69.1 Å²	69.1	63%	0.63	36%	0.364	S	S	*	.	S	Bend	trans	-111.8	-11.3	-159.8	-65.7	-179	-177.5	173.9	0	116.9	K108 I109	K105-K108 PolarHBondContact O-N 2.89Å; K105-I109 WeakPolarHBondContact O-CG1 3.47Å
106	V	42	Very low	62	Low	47 Å²	47	70.9 Å²	70.9	29%	0.285	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-77.7	-40.9	-169.6	168	0	0	0	0	114.6	R100 K108 I109	R100-V106 HydrophobicContact CB-CG2 3.43Å; R100-V106 VanDerWaalsContact CB-CG2 3.43Å; R100-V106 HydrophobicContact CG-CG2 3.59Å; R100-V106 WeakPolarHBondContact O-CG2 3.42Å; V106-K108 PolarHBondContact O-N 2.84Å; V106-K108 VanDerWaalsContact O-N 3.16Å; V106-I109 PolarHBondContact O-N 2.75Å
107	S	37.6	Very low	61.9	Low	117 Å²	117	69 Å²	69	82%	0.818	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-73.2	-1.1	176.2	51.9	0	0	0	0	113.2
108	K	43.5	Very low	62.4	Low	141 Å²	141	64.3 Å²	64.3	61%	0.613	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-117.3	8.9	-179.3	-61.8	179.9	-177.4	169.1	0	113.2	K105 V106 T110	K105-K108 PolarHBondContact O-N 2.89Å; V106-K108 PolarHBondContact O-N 2.84Å; V106-K108 VanDerWaalsContact O-N 3.16Å; K108-T110 PolarHBondContact O-N 2.9Å
109	I	51.3	Low	62.9	Low	62 Å²	62	65.7 Å²	65.7	32%	0.318	35%	0.352	S	S	.	.			trans	-71.7	85.9	174.7	-55.4	177.7	0	0	0	108.4	K105 V106 S111 V113	K105-I109 WeakPolarHBondContact O-CG1 3.47Å; V106-I109 PolarHBondContact O-N 2.75Å; I109-S111 VanDerWaalsContact C-N 3.3Å; I109-V113 HydrophobicContact CG2-CG2 4.34Å
110	T	54.9	Low	63.6	Low	96 Å²	96	70.3 Å²	70.3	59%	0.589	37%	0.373	S	S	*	.			trans	-92.1	1.4	171.6	60.3	0	0	0	0	111.9	K108	K108-T110 PolarHBondContact O-N 2.9Å
111	S	55.5	Low	64.2	Low	25 Å²	25	67.4 Å²	67.4	18%	0.175	36%	0.363	C	S	.	.	S	Bend	trans	-89.5	144.9	-172.2	-69.1	0	0	0	0	112.2	I109 K138	I109-S111 VanDerWaalsContact C-N 3.3Å; S111-K138 WeakPolarHBondContact O-CB 3.23Å
112	P	68.9	Low	64.9	Low	13 Å²	13	71.4 Å²	71.4	8%	0.084	38%	0.375	C	S	.	.			trans	-50.8	138.3	171.4	-28.6	37.5	0	0	0	112	K138 V140 F166 E170 L171 Q174	P112-K138 CarbonylContact C-O 3.52Å; P112-K138 VanDerWaalsContact CA-O 3.3Å; P112-K138 WeakPolarHBondContact CA-O 3.26Å; P112-V140 HydrophobicContact CB-CG1 3.68Å; P112-F166 HydrophobicContact CB-CE2 3.64Å; P112-F166 HydrophobicContact CB-CZ 4.17Å; P112-F166 WeakPolarHBondContact O-CZ 3.47Å; P112-E170 WeakPolarHBondContact CG-O 3.5Å; P112-L171 HydrophobicContact CB-CD2 4.11Å; P112-L171 HydrophobicContact CG-CD2 4.35Å; P112-Q174 HydrophobicContact CG-CG 3.79Å
113	V	72.5	Confident	65.3	Low	38 Å²	38	70.3 Å²	70.3	23%	0.23	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-123.3	117	177.4	179.6	0	0	0	0	109.1	I109 I115 K138 A139 V140	I109-V113 HydrophobicContact CG2-CG2 4.34Å; V113-I115 HydrophobicContact CG1-CG1 4.4Å; V113-K138 PolarHBondContact N-O 2.85Å; V113-A139 CarbonylContact O-C 3.59Å; V113-A139 VanDerWaalsContact O-CA 3.27Å; V113-A139 WeakPolarHBondContact O-CA 3.19Å; V113-V140 WeakPolarHBondContact O-CG2 3.44Å; V113-V140 PolarHBondContact O-N 3.43Å
114	L	84.5	Confident	66	Low	31 Å²	31	63.7 Å²	63.7	16%	0.162	33%	0.332	C	S	.	.			trans	-94	133.4	171.5	172.8	61.4	0	0	0	109.6	I116 V140 E141 R162 F166	L114-I116 HydrophobicContact CD1-CG1 4.21Å; L114-I116 HydrophobicContact CD2-CD1 3.86Å; L114-I116 HydrophobicContact CD2-CG1 3.9Å; L114-I116 HydrophobicContact CG-CD1 4.37Å; L114-I116 HydrophobicContact CG-CG1 3.86Å; L114-V140 HydrophobicContact CB-CG2 3.93Å; L114-V140 HydrophobicContact CD1-CG2 4.22Å; L114-E141 WeakPolarHBondContact CD1-O 3.34Å; L114-R162 HydrophobicContact CD1-CG 3.92Å; L114-R162 VanDerWaalsContact CD1-CZ 3.43Å; L114-R162 HydrophobicContact CD2-CG 3.79Å; L114-F166 HydrophobicContact CB-CB 4.36Å; L114-F166 HydrophobicContact CB-CD1 3.76Å; L114-F166 HydrophobicContact CB-CD2 3.69Å; L114-F166 HydrophobicContact CB-CE1 3.83Å; L114-F166 HydrophobicContact CB-CE2 3.73Å; L114-F166 HydrophobicContact CB-CG 3.68Å; L114-F166 HydrophobicContact CB-CZ 3.8Å; L114-F166 HydrophobicContact CD2-CB 3.66Å; L114-F166 HydrophobicContact CD2-CD1 4.08Å; L114-F166 HydrophobicContact CD2-CG 3.86Å; L114-F166 HydrophobicContact CG-CG 4.38Å
115	I	80.1	Confident	67.6	Low	17 Å²	17	61.1 Å²	61.1	9%	0.087	32%	0.322	C	S	.	.			trans	-113.8	131	170.7	-57.5	158.7	0	0	0	107.1	V113 L132 Y133 P142 L143 W144	V113-I115 HydrophobicContact CG1-CG1 4.4Å; I115-L132 HydrophobicContact CD1-CB 3.84Å; I115-Y133 HydrophobicContact CD1-CD2 4.28Å; I115-P142 HydrophobicContact CB-CB 4.36Å; I115-P142 CarbonylContact O-C 3.59Å; I115-P142 WeakPolarHBondContact O-CA 3.43Å; I115-P142 WeakPolarHBondContact O-CB 3.3Å; I115-L143 PolarHBondContact O-N 2.94Å; I115-W144 HydrophobicContact CB-CH2 4.22Å; I115-W144 HydrophobicContact CB-CZ3 4.34Å; I115-W144 HydrophobicContact CG2-CH2 3.76Å; I115-W144 HydrophobicContact CG2-CZ3 3.64Å
116	I	87.6	Confident	68.9	Low	38 Å²	38	57 Å²	57	20%	0.195	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	126.9	173.1	-49.2	-178.3	0	0	0	107.4	L114 L143 V145 I153 Y159	L114-I116 HydrophobicContact CD1-CG1 4.21Å; L114-I116 HydrophobicContact CD2-CD1 3.86Å; L114-I116 HydrophobicContact CD2-CG1 3.9Å; L114-I116 HydrophobicContact CG-CD1 4.37Å; L114-I116 HydrophobicContact CG-CG1 3.86Å; I116-L143 CarbonylContact C-O 3.54Å; I116-L143 VanDerWaalsContact CA-O 3.24Å; I116-L143 WeakPolarHBondContact CA-O 3.26Å; I116-L143 HydrophobicContact CB-CB 4.5Å; I116-L143 HydrophobicContact CD1-CD2 4.48Å; I116-L143 HydrophobicContact CG1-CB 4.21Å; I116-L143 HydrophobicContact CG2-CB 4.08Å; I116-L143 HydrophobicContact CG2-CD2 3.81Å; I116-L143 HydrophobicContact CG2-CG 4.01Å; I116-V145 HydrophobicContact CG2-CG2 3.84Å; I116-I153 HydrophobicContact CG2-CG2 4.01Å; I116-Y159 HydrophobicContact CD1-CD2 3.86Å; I116-Y159 HydrophobicContact CD1-CE2 3.87Å; I116-Y159 HydrophobicContact CG2-CD2 4Å; I116-Y159 HydrophobicContact CG2-CE2 4.44Å
117	H	79.7	Confident	70.2	Confident	19 Å²	19	57.6 Å²	57.6	9%	0.088	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	143.9	-176	-156.6	99.9	0	0	0	110.8	D121 I124 L143 W144 V145	H117-D121 IonicContact NE2-OD2 3.79Å; H117-I124 PolarHBondContact CE1-O 3Å; H117-I124 PolarHBondContact NE2-O 3.21Å; H117-L143 PolarHBondContact N-O 3.38Å; H117-W144 HydrophobicContact CB-CE3 3.68Å; H117-W144 HydrophobicContact CB-CZ3 3.57Å; H117-W144 CarbonylContact O-C 3.53Å; H117-W144 WeakPolarHBondContact O-CA 3.28Å; H117-V145 PolarHBondContact O-N 3.45Å
118	G	89.3	Confident	71.3	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.2	178.3	0	0	0	0	0	112.3	E120 D121 V145 A148 I153	G118-E120 PolarHBondContact O-N 3.21Å; G118-D121 PolarHBondContact O-N 2.83Å; G118-V145 WeakPolarHBondContact CA-O 3.18Å; G118-A148 CarbonylContact C-O 3.55Å; G118-A148 WeakPolarHBondContact CA-O 3.13Å; G118-I153 VanDerWaalsContact N-CD1 3.29Å
119	T	91.2	Very high	72.3	Confident	34 Å²	34	47.9 Å²	47.9	21%	0.209	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-19.2	-174.1	60.6	0	0	0	0	113.8	F126 W144 V145 E146 G147 A148	T119-F126 HydrophobicContact CG2-CD2 4.25Å; T119-F126 HydrophobicContact CG2-CE2 4.1Å; T119-W144 HydrophobicContact CG2-CB 4.13Å; T119-V145 PolarHBondContact N-O 3.07Å; T119-E146 WeakPolarHBondContact OG1-CA 3.12Å; T119-E146 PolarHBondContact OG1-OE1 2.6Å; T119-G147 PolarHBondContact OG1-N 3.47Å; T119-A148 PolarHBondContact N-O 3.46Å
120	E	91.3	Very high	73.3	Confident	126 Å²	126	48.2 Å²	48.2	59%	0.589	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	27.7	178.9	-64.6	-173.2	-158.5	0	0	111.5	G118 E122 A148	G118-E120 PolarHBondContact O-N 3.21Å; E120-E122 PolarHBondContact O-N 2.93Å; E120-A148 CarbonylContact C-O 3.41Å; E120-A148 PolarHBondContact N-O 3.29Å; E120-A148 VanDerWaalsContact N-O 3.07Å
121	D	79.4	Confident	73.7	Confident	13 Å²	13	45.1 Å²	45.1	7%	0.07	24%	0.241	C	C	.	.			trans	-67.9	97.6	174.8	-172.7	-13.5	0	0	0	110.7	H117 G118 V123 I124 A148 H150	H117-D121 IonicContact NE2-OD2 3.79Å; G118-D121 PolarHBondContact O-N 2.83Å; D121-V123 PolarHBondContact O-N 3.27Å; D121-V123 WeakPolarHBondContact OD1-CA 3.17Å; D121-V123 WeakPolarHBondContact OD1-CB 3.38Å; D121-V123 PolarHBondContact OD1-N 3.11Å; D121-I124 VanDerWaalsContact CB-O 3.23Å; D121-I124 WeakPolarHBondContact CB-O 3.39Å; D121-I124 VanDerWaalsContact CG-N 3.32Å; D121-I124 VanDerWaalsContact CG-O 3.22Å; D121-I124 CarbonylContact O-C 3.19Å; D121-I124 PolarHBondContact OD1-N 2.98Å; D121-A148 PolarHBondContact N-O 3.38Å; D121-H150 WeakPolarHBondContact OD1-CB 3.28Å; D121-H150 IonicContact OD1-CG 3.5Å; D121-H150 IonicContact OD1-ND1 3.16Å; D121-H150 PolarHBondContact OD1-ND1 2.94Å; D121-H150 VanDerWaalsContact OD1-ND1 3.16Å; D121-H150 IonicContact OD2-CE1 3.88Å; D121-H150 IonicContact OD2-CG 3.75Å; D121-H150 IonicContact OD2-ND1 2.86Å; D121-H150 PolarHBondContact OD2-ND1 2.77Å
122	E	74.1	Confident	74	Confident	175 Å²	175	47.1 Å²	47.1	82%	0.818	25%	0.249	S	C	*	.	S	Bend	trans	-70.3	-8.1	177.4	-58.8	-169.9	163.4	0	0	113.8	E120	E120-E122 PolarHBondContact O-N 2.93Å
123	V	58.7	Low	74.1	Confident	45 Å²	45	50.4 Å²	50.4	27%	0.273	26%	0.26	S	S	.	.	S	Bend	trans	-107.1	-38.1	-177.4	179.8	0	0	0	0	111.2	E85 L88 Y89 D121 H150	E85-V123 WeakPolarHBondContact CG-O 3.49Å; L88-V123 HydrophobicContact CD1-CG1 3.7Å; L88-V123 HydrophobicContact CD2-CG1 3.72Å; L88-V123 HydrophobicContact CG-CG1 4.32Å; Y89-V123 PolarHBondContact OH-O 3.44Å; D121-V123 PolarHBondContact O-N 3.27Å; D121-V123 WeakPolarHBondContact OD1-CA 3.17Å; D121-V123 WeakPolarHBondContact OD1-CB 3.38Å; D121-V123 PolarHBondContact OD1-N 3.11Å; V123-H150 HydrophobicContact CB-CB 3.8Å; V123-H150 HydrophobicContact CG2-CB 3.78Å
124	I	55.4	Low	74	Confident	19 Å²	19	55.4 Å²	55.4	10%	0.097	28%	0.281	C	S	.	.	S	Bend	trans	-123.7	100.8	169	-53.3	-178.2	0	0	0	110.8	L88 Y89 H117 D121 F126 H128	L88-I124 HydrophobicContact CD2-CD1 3.74Å; L88-I124 HydrophobicContact CD2-CG1 3.35Å; Y89-I124 HydrophobicContact CD1-CG1 4.47Å; Y89-I124 HydrophobicContact CD1-CG2 4.04Å; Y89-I124 HydrophobicContact CE1-CB 3.94Å; Y89-I124 HydrophobicContact CE1-CG1 4.23Å; Y89-I124 HydrophobicContact CE1-CG2 3.66Å; Y89-I124 WeakPolarHBondContact OH-CA 3.48Å; H117-I124 PolarHBondContact CE1-O 3Å; H117-I124 PolarHBondContact NE2-O 3.21Å; D121-I124 VanDerWaalsContact CB-O 3.23Å; D121-I124 WeakPolarHBondContact CB-O 3.39Å; D121-I124 VanDerWaalsContact CG-N 3.32Å; D121-I124 VanDerWaalsContact CG-O 3.22Å; D121-I124 CarbonylContact O-C 3.19Å; D121-I124 PolarHBondContact OD1-N 2.98Å; I124-F126 PolarHBondContact O-N 3.01Å; I124-H128 HydrophobicContact CG2-CB 3.85Å
125	D	75.4	Confident	72.9	Confident	82 Å²	82	63.5 Å²	63.5	44%	0.439	31%	0.31	S	S	.	.			trans	-50.6	136.9	178.8	-177.3	-88.9	0	0	0	112	Y89 S127 H128	Y89-D125 PolarHBondContact OH-N 3.27Å; D125-S127 PolarHBondContact O-N 3.22Å; D125-S127 WeakPolarHBondContact OD1-CB 3.34Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 3.14Å; D125-H128 WeakPolarHBondContact O-CB 3.46Å; D125-H128 PolarHBondContact O-N 2.97Å
126	F	74.3	Confident	72	Confident	60 Å²	60	63.5 Å²	63.5	26%	0.263	31%	0.311	S	S	.	.	H	α-helix	trans	-51.9	-29.3	-177.4	178	-112	0	0	0	114	T119 I124 H128 G129 L130 W144	T119-F126 HydrophobicContact CG2-CD2 4.25Å; T119-F126 HydrophobicContact CG2-CE2 4.1Å; I124-F126 PolarHBondContact O-N 3.01Å; F126-H128 PolarHBondContact O-N 3.15Å; F126-H128 VanDerWaalsContact O-N 3.12Å; F126-G129 PolarHBondContact O-N 2.92Å; F126-G129 VanDerWaalsContact O-N 3.12Å; F126-L130 PolarHBondContact O-N 3.03Å; F126-W144 HydrophobicContact CE2-CB 3.89Å; F126-W144 AromaticContact CE2-CD2 3.52Å; F126-W144 HydrophobicContact CE2-CD2 3.52Å; F126-W144 AromaticContact CE2-CE3 3.67Å; F126-W144 HydrophobicContact CE2-CE3 3.67Å; F126-W144 AromaticContact CE2-CG 3.63Å; F126-W144 HydrophobicContact CE2-CG 3.63Å; F126-W144 HydrophobicContact CE2-CZ3 4.37Å; F126-W144 HydrophobicContact CZ-CB 4.22Å; F126-W144 AromaticContact CZ-CD1 3.91Å; F126-W144 AromaticContact CZ-CD2 3.81Å; F126-W144 HydrophobicContact CZ-CD2 3.81Å; F126-W144 HydrophobicContact CZ-CE3 4.37Å; F126-W144 AromaticContact CZ-CG 3.72Å; F126-W144 HydrophobicContact CZ-CG 3.72Å
127	S	69.5	Low	70.9	Confident	59 Å²	59	67.4 Å²	67.4	41%	0.413	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-24.1	177.4	65.6	0	0	0	0	113.7	D125 L130 A131	D125-S127 PolarHBondContact O-N 3.22Å; D125-S127 WeakPolarHBondContact OD1-CB 3.34Å; D125-S127 PolarHBondContact OD1-N 3.37Å; D125-S127 PolarHBondContact OD1-OG 3.14Å; S127-L130 PolarHBondContact O-N 2.96Å; S127-A131 WeakPolarHBondContact O-CB 3.21Å; S127-A131 PolarHBondContact O-N 3.37Å
128	H	60.5	Low	70.5	Confident	54 Å²	54	70.4 Å²	70.4	25%	0.25	35%	0.352	C	S	.	.	H	α-helix	trans	-67.7	-45.6	175.5	-79.5	-127.9	0	0	0	111.8	Y89 I124 D125 F126 L130 A131 L132	Y89-H128 AromaticContact CD1-CE1 3.17Å; Y89-H128 WeakPolarHBondContact CD1-CE1 3.22Å; Y89-H128 AromaticContact CD1-ND1 3.56Å; Y89-H128 AromaticContact CD1-NE2 3.63Å; Y89-H128 AromaticContact CE1-CE1 3.78Å; Y89-H128 AromaticContact CE1-NE2 3.81Å; Y89-H128 AromaticContact CG-CE1 3.84Å; I124-H128 HydrophobicContact CG2-CB 3.85Å; D125-H128 WeakPolarHBondContact O-CB 3.46Å; D125-H128 PolarHBondContact O-N 2.97Å; F126-H128 PolarHBondContact O-N 3.15Å; F126-H128 VanDerWaalsContact O-N 3.12Å; H128-L130 VanDerWaalsContact C-N 3.27Å; H128-L130 PolarHBondContact O-N 3.29Å; H128-A131 PolarHBondContact O-N 3.47Å; H128-L132 WeakPolarHBondContact O-CG 3.33Å; H128-L132 PolarHBondContact O-N 2.79Å
129	G	65.3	Low	69.6	Low	0 Å²	0	71.6 Å²	71.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-41.8	174.2	0	0	0	0	0	111.4	F126 L132 Y133 W144	F126-G129 PolarHBondContact O-N 2.92Å; F126-G129 VanDerWaalsContact O-N 3.12Å; G129-L132 PolarHBondContact O-N 2.99Å; G129-Y133 PolarHBondContact O-N 2.62Å; G129-W144 WeakPolarHBondContact O-CH2 3.17Å
130	L	71.1	Confident	69.3	Low	69 Å²	69	71.2 Å²	71.2	36%	0.361	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-47.6	176.1	-171	67.5	0	0	0	112.2	F126 S127 H128 L132 Y133 E134	F126-L130 PolarHBondContact O-N 3.03Å; S127-L130 PolarHBondContact O-N 2.96Å; H128-L130 VanDerWaalsContact C-N 3.27Å; H128-L130 PolarHBondContact O-N 3.29Å; L130-L132 VanDerWaalsContact C-N 3.27Å; L130-L132 PolarHBondContact O-N 3.18Å; L130-Y133 WeakPolarHBondContact O-CB 3.39Å; L130-Y133 PolarHBondContact O-N 3.28Å; L130-E134 WeakPolarHBondContact O-CG 3.47Å; L130-E134 PolarHBondContact O-N 3.49Å
131	A	63.4	Low	69.2	Low	31 Å²	31	71.1 Å²	71.1	26%	0.256	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-35.2	179.2	0	0	0	0	0	112.4	S127 H128 R135	S127-A131 WeakPolarHBondContact O-CB 3.21Å; S127-A131 PolarHBondContact O-N 3.37Å; H128-A131 PolarHBondContact O-N 3.47Å; A131-R135 WeakPolarHBondContact O-CB 3.26Å; A131-R135 WeakPolarHBondContact O-CD 3.03Å; A131-R135 WeakPolarHBondContact O-CG 3.35Å; A131-R135 PolarHBondContact O-N 2.81Å
132	L	61.8	Low	69.7	Low	67 Å²	67	71.1 Å²	71.1	35%	0.351	36%	0.359	S	S	.	.	H	α-helix	trans	-67.1	-40	173.2	-73.4	172.2	0	0	0	111.8	W96 I115 H128 G129 L130 R135 C136	W96-L132 HydrophobicContact CZ2-CD2 4.47Å; I115-L132 HydrophobicContact CD1-CB 3.84Å; H128-L132 WeakPolarHBondContact O-CG 3.33Å; H128-L132 PolarHBondContact O-N 2.79Å; G129-L132 PolarHBondContact O-N 2.99Å; L130-L132 VanDerWaalsContact C-N 3.27Å; L130-L132 PolarHBondContact O-N 3.18Å; L132-R135 PolarHBondContact O-N 2.99Å; L132-C136 VanDerWaalsContact O-CB 3.27Å; L132-C136 WeakPolarHBondContact O-CB 3.37Å; L132-C136 PolarHBondContact O-N 2.76Å; L132-C136 VanDerWaalsContact O-N 3.12Å; L132-C136 PolarHBondContact O-SG 2.86Å
133	Y	70.6	Confident	70.6	Confident	81 Å²	81	63.8 Å²	63.8	32%	0.318	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-47.6	178.3	179.3	-112.5	0	0	0	111.1	I115 G129 L130 R135 C136 A139 V140 P142	I115-Y133 HydrophobicContact CD1-CD2 4.28Å; G129-Y133 PolarHBondContact O-N 2.62Å; L130-Y133 WeakPolarHBondContact O-CB 3.39Å; L130-Y133 PolarHBondContact O-N 3.28Å; Y133-R135 VanDerWaalsContact C-N 3.3Å; Y133-R135 PolarHBondContact O-N 3.1Å; Y133-C136 PolarHBondContact O-N 3Å; Y133-A139 HydrophobicContact CD2-CB 3.47Å; Y133-A139 VanDerWaalsContact CD2-CB 3.47Å; Y133-A139 HydrophobicContact CE2-CB 3.64Å; Y133-A139 HydrophobicContact CG-CB 4.48Å; Y133-V140 WeakPolarHBondContact CE2-O 3.43Å; Y133-P142 HydrophobicContact CD2-CB 4.29Å; Y133-P142 HydrophobicContact CD2-CG 3.95Å; Y133-P142 HydrophobicContact CE2-CG 4.04Å; Y133-P142 HydrophobicContact CG-CG 4.3Å
134	E	70.6	Confident	72.3	Confident	143 Å²	143	64.9 Å²	64.9	67%	0.668	33%	0.325	S	S	*	.	H	α-helix	trans	-64.3	-32.5	179.3	-68.2	178.8	160	0	0	113.4	L130	L130-E134 WeakPolarHBondContact O-CG 3.47Å; L130-E134 PolarHBondContact O-N 3.49Å
135	R	61.4	Low	74.1	Confident	201 Å²	201	64 Å²	64	76%	0.758	32%	0.32	S	S	*	.	H	α-helix	trans	-90.6	-11	-175.9	-68	173.6	-176.5	-166.9	2.1	113.7	A131 L132 Y133 P137	A131-R135 WeakPolarHBondContact O-CB 3.26Å; A131-R135 WeakPolarHBondContact O-CD 3.03Å; A131-R135 WeakPolarHBondContact O-CG 3.35Å; A131-R135 PolarHBondContact O-N 2.81Å; L132-R135 PolarHBondContact O-N 2.99Å; Y133-R135 VanDerWaalsContact C-N 3.3Å; Y133-R135 PolarHBondContact O-N 3.1Å; R135-P137 WeakPolarHBondContact O-CD 3.24Å
136	C	62.3	Low	75	Confident	17 Å²	17	66.4 Å²	66.4	12%	0.115	33%	0.329	C	S	.	.			trans	-93.9	108.4	-178.6	-78.8	0	0	0	0	110.8	L132 Y133 K138 A139	L132-C136 VanDerWaalsContact O-CB 3.27Å; L132-C136 WeakPolarHBondContact O-CB 3.37Å; L132-C136 PolarHBondContact O-N 2.76Å; L132-C136 VanDerWaalsContact O-N 3.12Å; L132-C136 PolarHBondContact O-SG 2.86Å; Y133-C136 PolarHBondContact O-N 3Å; C136-K138 PolarHBondContact O-N 3.37Å; C136-A139 HydrophobicContact CB-CB 3.81Å; C136-A139 WeakPolarHBondContact O-CB 3.39Å; C136-A139 PolarHBondContact O-N 2.84Å
137	P	63.7	Low	75.8	Confident	120 Å²	120	64.6 Å²	64.6	78%	0.779	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.6	-171.8	26.5	-35.4	0	0	0	114.9	R135	R135-P137 WeakPolarHBondContact O-CD 3.24Å
138	K	71.2	Confident	76.8	Confident	82 Å²	82	61.8 Å²	61.8	36%	0.357	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	26.4	176.4	-72.4	-78.5	-172.8	168.8	0	111.1	S111 P112 V113 C136 V140	S111-K138 WeakPolarHBondContact O-CB 3.23Å; P112-K138 CarbonylContact C-O 3.52Å; P112-K138 VanDerWaalsContact CA-O 3.3Å; P112-K138 WeakPolarHBondContact CA-O 3.26Å; V113-K138 PolarHBondContact N-O 2.85Å; C136-K138 PolarHBondContact O-N 3.37Å; K138-V140 PolarHBondContact O-N 2.79Å
139	A	70.5	Confident	77.9	Confident	25 Å²	25	59.9 Å²	59.9	21%	0.207	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-57.5	127.9	171.1	0	0	0	0	0	109.5	V113 Y133 C136	V113-A139 CarbonylContact O-C 3.59Å; V113-A139 VanDerWaalsContact O-CA 3.27Å; V113-A139 WeakPolarHBondContact O-CA 3.19Å; Y133-A139 HydrophobicContact CD2-CB 3.47Å; Y133-A139 VanDerWaalsContact CD2-CB 3.47Å; Y133-A139 HydrophobicContact CE2-CB 3.64Å; Y133-A139 HydrophobicContact CG-CB 4.48Å; C136-A139 HydrophobicContact CB-CB 3.81Å; C136-A139 WeakPolarHBondContact O-CB 3.39Å; C136-A139 PolarHBondContact O-N 2.84Å
140	V	84.6	Confident	78.4	Confident	26 Å²	26	62 Å²	62	16%	0.158	31%	0.313	C	S	.	.			trans	-86	170.7	167.3	-65	0	0	0	0	108.9	P112 V113 L114 Y133 K138 P142 R162 F166 E170	P112-V140 HydrophobicContact CB-CG1 3.68Å; V113-V140 WeakPolarHBondContact O-CG2 3.44Å; V113-V140 PolarHBondContact O-N 3.43Å; L114-V140 HydrophobicContact CB-CG2 3.93Å; L114-V140 HydrophobicContact CD1-CG2 4.22Å; Y133-V140 WeakPolarHBondContact CE2-O 3.43Å; K138-V140 PolarHBondContact O-N 2.79Å; V140-P142 WeakPolarHBondContact O-CD 3.33Å; V140-R162 VanDerWaalsContact CG2-NH2 3.31Å; V140-F166 HydrophobicContact CG1-CE2 4.26Å; V140-F166 HydrophobicContact CG2-CD2 3.6Å; V140-F166 HydrophobicContact CG2-CE2 3.56Å; V140-E170 HydrophobicContact CG1-CB 4.26Å
141	E	89.4	Confident	78.8	Confident	125 Å²	125	63.7 Å²	63.7	58%	0.584	32%	0.322	S	S	*	.			trans	-46.3	115.5	177	-168	65	-157.2	0	0	110.5	L114 R162	L114-E141 WeakPolarHBondContact CD1-O 3.34Å; E141-R162 PolarHBondContact O-NE 3.32Å; E141-R162 PolarHBondContact O-NH2 3.32Å
142	P	89.9	Confident	79.9	Confident	13 Å²	13	64.4 Å²	64.4	8%	0.084	32%	0.321	C	S	.	.			trans	-69.4	168.3	-177.6	29.7	-32.8	0	0	0	110	I115 Y133 V140 W144	I115-P142 HydrophobicContact CB-CB 4.36Å; I115-P142 CarbonylContact O-C 3.59Å; I115-P142 WeakPolarHBondContact O-CA 3.43Å; I115-P142 WeakPolarHBondContact O-CB 3.3Å; Y133-P142 HydrophobicContact CD2-CB 4.29Å; Y133-P142 HydrophobicContact CD2-CG 3.95Å; Y133-P142 HydrophobicContact CE2-CG 4.04Å; Y133-P142 HydrophobicContact CG-CG 4.3Å; V140-P142 WeakPolarHBondContact O-CD 3.33Å; P142-W144 HydrophobicContact CB-CD2 4.03Å; P142-W144 HydrophobicContact CB-CE3 4.17Å; P142-W144 HydrophobicContact CB-CH2 3.48Å; P142-W144 VanDerWaalsContact CB-CH2 3.48Å; P142-W144 HydrophobicContact CB-CZ2 3.3Å; P142-W144 HydrophobicContact CB-CZ3 3.92Å; P142-W144 HydrophobicContact CG-CD2 4.2Å; P142-W144 HydrophobicContact CG-CH2 3.98Å; P142-W144 HydrophobicContact CG-CZ2 3.24Å
143	L	93.8	Very high	80.9	Confident	20 Å²	20	62.2 Å²	62.2	11%	0.105	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	111.1	163.8	170.7	67.7	0	0	0	109	I115 I116 H117 V145 Q158 R162	I115-L143 PolarHBondContact O-N 2.94Å; I116-L143 CarbonylContact C-O 3.54Å; I116-L143 VanDerWaalsContact CA-O 3.24Å; I116-L143 WeakPolarHBondContact CA-O 3.26Å; I116-L143 HydrophobicContact CB-CB 4.5Å; I116-L143 HydrophobicContact CD1-CD2 4.48Å; I116-L143 HydrophobicContact CG1-CB 4.21Å; I116-L143 HydrophobicContact CG2-CB 4.08Å; I116-L143 HydrophobicContact CG2-CD2 3.81Å; I116-L143 HydrophobicContact CG2-CG 4.01Å; H117-L143 PolarHBondContact N-O 3.38Å; L143-V145 HydrophobicContact CD1-CG2 4.4Å; L143-V145 HydrophobicContact CD2-CG2 3.82Å; L143-V145 HydrophobicContact CG-CG2 3.73Å; L143-Q158 HydrophobicContact CD1-CB 4.35Å; L143-Q158 HydrophobicContact CD1-CG 4.34Å; L143-Q158 HydrophobicContact CD2-CB 4.3Å; L143-Q158 HydrophobicContact CD2-CG 4.25Å; L143-Q158 WeakPolarHBondContact CD2-O 3.37Å; L143-R162 HydrophobicContact CB-CB 4.15Å; L143-R162 HydrophobicContact CB-CG 3.64Å; L143-R162 HydrophobicContact CD2-CB 3.56Å; L143-R162 HydrophobicContact CD2-CG 4.03Å; L143-R162 HydrophobicContact CG-CB 4.37Å; L143-R162 HydrophobicContact CG-CG 4.39Å
144	W	94.6	Very high	81.4	Confident	69 Å²	69	63.7 Å²	63.7	26%	0.261	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	113	167.5	-47.7	137.4	0	0	0	107.9	I115 H117 T119 F126 G129 P142 E146	I115-W144 HydrophobicContact CB-CH2 4.22Å; I115-W144 HydrophobicContact CB-CZ3 4.34Å; I115-W144 HydrophobicContact CG2-CH2 3.76Å; I115-W144 HydrophobicContact CG2-CZ3 3.64Å; H117-W144 HydrophobicContact CB-CE3 3.68Å; H117-W144 HydrophobicContact CB-CZ3 3.57Å; H117-W144 CarbonylContact O-C 3.53Å; H117-W144 WeakPolarHBondContact O-CA 3.28Å; T119-W144 HydrophobicContact CG2-CB 4.13Å; F126-W144 HydrophobicContact CE2-CB 3.89Å; F126-W144 AromaticContact CE2-CD2 3.52Å; F126-W144 HydrophobicContact CE2-CD2 3.52Å; F126-W144 AromaticContact CE2-CE3 3.67Å; F126-W144 HydrophobicContact CE2-CE3 3.67Å; F126-W144 AromaticContact CE2-CG 3.63Å; F126-W144 HydrophobicContact CE2-CG 3.63Å; F126-W144 HydrophobicContact CE2-CZ3 4.37Å; F126-W144 HydrophobicContact CZ-CB 4.22Å; F126-W144 AromaticContact CZ-CD1 3.91Å; F126-W144 AromaticContact CZ-CD2 3.81Å; F126-W144 HydrophobicContact CZ-CD2 3.81Å; F126-W144 HydrophobicContact CZ-CE3 4.37Å; F126-W144 AromaticContact CZ-CG 3.72Å; F126-W144 HydrophobicContact CZ-CG 3.72Å; G129-W144 WeakPolarHBondContact O-CH2 3.17Å; P142-W144 HydrophobicContact CB-CD2 4.03Å; P142-W144 HydrophobicContact CB-CE3 4.17Å; P142-W144 HydrophobicContact CB-CH2 3.48Å; P142-W144 VanDerWaalsContact CB-CH2 3.48Å; P142-W144 HydrophobicContact CB-CZ2 3.3Å; P142-W144 HydrophobicContact CB-CZ3 3.92Å; P142-W144 HydrophobicContact CG-CD2 4.2Å; P142-W144 HydrophobicContact CG-CH2 3.98Å; P142-W144 HydrophobicContact CG-CZ2 3.24Å; W144-E146 PolarHBondContact O-N 2.84Å
145	V	93.1	Very high	82.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	97.2	-176.9	-173.2	0	0	0	0	107.1	I116 H117 G118 T119 L143 G147 A148 I153 Y156 Q158	I116-V145 HydrophobicContact CG2-CG2 3.84Å; H117-V145 PolarHBondContact O-N 3.45Å; G118-V145 WeakPolarHBondContact CA-O 3.18Å; T119-V145 PolarHBondContact N-O 3.07Å; L143-V145 HydrophobicContact CD1-CG2 4.4Å; L143-V145 HydrophobicContact CD2-CG2 3.82Å; L143-V145 HydrophobicContact CG-CG2 3.73Å; V145-G147 PolarHBondContact O-N 3.45Å; V145-A148 HydrophobicContact CB-CB 3.74Å; V145-A148 HydrophobicContact CG1-CB 3.35Å; V145-A148 WeakPolarHBondContact O-CB 3.43Å; V145-A148 PolarHBondContact O-N 3.21Å; V145-A148 VanDerWaalsContact O-N 3.16Å; V145-I153 HydrophobicContact CG2-CG2 4.14Å; V145-Y156 HydrophobicContact CG1-CD1 3.74Å; V145-Y156 HydrophobicContact CG1-CD2 3.76Å; V145-Y156 HydrophobicContact CG1-CE1 4.26Å; V145-Y156 HydrophobicContact CG1-CE2 4.33Å; V145-Y156 HydrophobicContact CG1-CG 3.47Å; V145-Y156 VanDerWaalsContact CG1-CG 3.47Å; V145-Q158 HydrophobicContact CG1-CG 4.33Å
146	E	93.4	Very high	83.5	Confident	132 Å²	132	57.5 Å²	57.5	62%	0.617	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	128.2	-176.2	-165.7	65.2	-117.8	0	0	111.5	T119 W144 A148	T119-E146 WeakPolarHBondContact OG1-CA 3.12Å; T119-E146 PolarHBondContact OG1-OE1 2.6Å; W144-E146 PolarHBondContact O-N 2.84Å; E146-A148 PolarHBondContact O-N 3.22Å
147	G	90.6	Very high	84.7	Confident	23 Å²	23	60.8 Å²	60.8	24%	0.237	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	2.6	179.6	0	0	0	0	0	115.2	T119 V145 Y156	T119-G147 PolarHBondContact OG1-N 3.47Å; V145-G147 PolarHBondContact O-N 3.45Å; G147-Y156 PolarHBondContact O-OH 2.96Å
148	A	91.1	Very high	86	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.			trans	-82.4	137.2	174.4	0	0	0	0	0	110.8	G118 T119 E120 D121 V145 E146 D152 I153 Y156	G118-A148 CarbonylContact C-O 3.55Å; G118-A148 WeakPolarHBondContact CA-O 3.13Å; T119-A148 PolarHBondContact N-O 3.46Å; E120-A148 CarbonylContact C-O 3.41Å; E120-A148 PolarHBondContact N-O 3.29Å; E120-A148 VanDerWaalsContact N-O 3.07Å; D121-A148 PolarHBondContact N-O 3.38Å; V145-A148 HydrophobicContact CB-CB 3.74Å; V145-A148 HydrophobicContact CG1-CB 3.35Å; V145-A148 WeakPolarHBondContact O-CB 3.43Å; V145-A148 PolarHBondContact O-N 3.21Å; V145-A148 VanDerWaalsContact O-N 3.16Å; E146-A148 PolarHBondContact O-N 3.22Å; A148-D152 WeakPolarHBondContact CA-OD1 2.91Å; A148-D152 WeakPolarHBondContact CB-OD1 3.14Å; A148-I153 HydrophobicContact CB-CG1 3.73Å; A148-Y156 HydrophobicContact CB-CD2 3.99Å; A148-Y156 HydrophobicContact CB-CE2 3.52Å
149	G	83.7	Confident	86.8	Confident	13 Å²	13	57.7 Å²	57.7	13%	0.134	30%	0.297	C	S	.	.			trans	-94.5	-164.2	171.6	0	0	0	0	0	112.9	N151 D152 I153	G149-N151 VanDerWaalsContact C-N 3.33Å; G149-N151 PolarHBondContact O-N 3.04Å; G149-D152 PolarHBondContact N-OD1 3.05Å; G149-D152 PolarHBondContact N-OD2 3.31Å; G149-D152 VanDerWaalsContact O-OD1 3.08Å; G149-I153 WeakPolarHBondContact O-CG1 3.35Å
150	H	76.4	Confident	87.6	Confident	46 Å²	46	60.3 Å²	60.3	21%	0.213	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-29.9	-172.1	-161.5	60.8	0	0	0	115.4	D121 V123	D121-H150 WeakPolarHBondContact OD1-CB 3.28Å; D121-H150 IonicContact OD1-CG 3.5Å; D121-H150 IonicContact OD1-ND1 3.16Å; D121-H150 PolarHBondContact OD1-ND1 2.94Å; D121-H150 VanDerWaalsContact OD1-ND1 3.16Å; D121-H150 IonicContact OD2-CE1 3.88Å; D121-H150 IonicContact OD2-CG 3.75Å; D121-H150 IonicContact OD2-ND1 2.86Å; D121-H150 PolarHBondContact OD2-ND1 2.77Å; V123-H150 HydrophobicContact CB-CB 3.8Å; V123-H150 HydrophobicContact CG2-CB 3.78Å
151	N	77.7	Confident	87.9	Confident	104 Å²	104	64.7 Å²	64.7	56%	0.556	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	15.9	-166.5	-61.1	-67.2	0	0	0	113.5	G149	G149-N151 VanDerWaalsContact C-N 3.33Å; G149-N151 PolarHBondContact O-N 3.04Å
152	D	86.6	Confident	88	Confident	46 Å²	46	59.7 Å²	59.7	25%	0.246	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-3	-175.1	61.7	13.4	0	0	0	113.8	A148 G149 E154 L155 Y156	A148-D152 WeakPolarHBondContact CA-OD1 2.91Å; A148-D152 WeakPolarHBondContact CB-OD1 3.14Å; G149-D152 PolarHBondContact N-OD1 3.05Å; G149-D152 PolarHBondContact N-OD2 3.31Å; G149-D152 VanDerWaalsContact O-OD1 3.08Å; D152-E154 PolarHBondContact O-N 3.5Å; D152-E154 VanDerWaalsContact O-N 3.12Å; D152-L155 HydrophobicContact CB-CD1 3.91Å; D152-L155 HydrophobicContact CB-CG 4.38Å; D152-L155 WeakPolarHBondContact O-CA 3.46Å; D152-L155 WeakPolarHBondContact O-CB 3.26Å; D152-L155 WeakPolarHBondContact O-CG 3.3Å; D152-L155 PolarHBondContact O-N 3.47Å; D152-Y156 HydrophobicContact CB-CE2 4.36Å; D152-Y156 WeakPolarHBondContact O-CD2 3.19Å; D152-Y156 WeakPolarHBondContact O-CE2 3.48Å
153	I	83.6	Confident	87.9	Confident	21 Å²	21	61.7 Å²	61.7	11%	0.108	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-52	-40	-177.4	-75.4	169.1	0	0	0	112	I116 G118 V145 A148 G149 L155 Y156 Y159	I116-I153 HydrophobicContact CG2-CG2 4.01Å; G118-I153 VanDerWaalsContact N-CD1 3.29Å; V145-I153 HydrophobicContact CG2-CG2 4.14Å; A148-I153 HydrophobicContact CB-CG1 3.73Å; G149-I153 WeakPolarHBondContact O-CG1 3.35Å; I153-L155 PolarHBondContact O-N 3.12Å; I153-Y156 PolarHBondContact O-N 2.96Å; I153-Y159 HydrophobicContact CG2-CD2 3.51Å; I153-Y159 HydrophobicContact CG2-CE2 4.03Å; I153-Y159 HydrophobicContact CG2-CG 4.35Å; I153-Y159 WeakPolarHBondContact O-CB 3.21Å
154	E	82.2	Confident	87.5	Confident	112 Å²	112	68.2 Å²	68.2	52%	0.523	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-70.3	-16.4	179.2	68.7	-89.3	-150.3	0	0	114.4	D152 Y159	D152-E154 PolarHBondContact O-N 3.5Å; D152-E154 VanDerWaalsContact O-N 3.12Å; E154-Y159 HydrophobicContact CB-CD1 4.23Å; E154-Y159 HydrophobicContact CB-CE1 4.33Å
155	L	85	Confident	87.3	Confident	139 Å²	139	70.8 Å²	70.8	73%	0.728	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-75.1	-19.1	176.1	-54.3	-178.2	0	0	0	111.6	D152 I153	D152-L155 HydrophobicContact CB-CD1 3.91Å; D152-L155 HydrophobicContact CB-CG 4.38Å; D152-L155 WeakPolarHBondContact O-CA 3.46Å; D152-L155 WeakPolarHBondContact O-CB 3.26Å; D152-L155 WeakPolarHBondContact O-CG 3.3Å; D152-L155 PolarHBondContact O-N 3.47Å; I153-L155 PolarHBondContact O-N 3.12Å
156	Y	89.3	Confident	87	Confident	74 Å²	74	72.2 Å²	72.2	29%	0.29	35%	0.351	S	S	.	.	S	Bend	trans	-84.7	126.7	178.6	-64	-108.6	0	0	0	110.1	V145 G147 A148 D152 I153 Q158 Y159	V145-Y156 HydrophobicContact CG1-CD1 3.74Å; V145-Y156 HydrophobicContact CG1-CD2 3.76Å; V145-Y156 HydrophobicContact CG1-CE1 4.26Å; V145-Y156 HydrophobicContact CG1-CE2 4.33Å; V145-Y156 HydrophobicContact CG1-CG 3.47Å; V145-Y156 VanDerWaalsContact CG1-CG 3.47Å; G147-Y156 PolarHBondContact O-OH 2.96Å; A148-Y156 HydrophobicContact CB-CD2 3.99Å; A148-Y156 HydrophobicContact CB-CE2 3.52Å; D152-Y156 HydrophobicContact CB-CE2 4.36Å; D152-Y156 WeakPolarHBondContact O-CD2 3.19Å; D152-Y156 WeakPolarHBondContact O-CE2 3.48Å; I153-Y156 PolarHBondContact O-N 2.96Å; Y156-Q158 PolarHBondContact O-N 3.15Å; Y156-Q158 VanDerWaalsContact O-N 3.09Å; Y156-Y159 VanDerWaalsContact O-CB 3.26Å; Y156-Y159 WeakPolarHBondContact O-CB 3.37Å; Y156-Y159 PolarHBondContact O-N 2.84Å
157	S	88.1	Confident	86.4	Confident	87 Å²	87	70 Å²	70	61%	0.608	34%	0.343	S	S	*	.	H	α-helix	trans	-55.9	-33.6	-177.1	58.8	0	0	0	0	113.4	Y159 L160 E161	S157-Y159 PolarHBondContact O-N 3.21Å; S157-L160 PolarHBondContact O-N 3.19Å; S157-E161 WeakPolarHBondContact O-CG 3.35Å; S157-E161 PolarHBondContact O-N 3.4Å
158	Q	91.1	Very high	86.1	Confident	67 Å²	67	72.3 Å²	72.3	31%	0.313	36%	0.355	S	S	.	.	H	α-helix	trans	-57.5	-28.9	176.6	57.7	-168	-7.3	0	0	113.7	L143 V145 Y156 E161 R162	L143-Q158 HydrophobicContact CD1-CB 4.35Å; L143-Q158 HydrophobicContact CD1-CG 4.34Å; L143-Q158 HydrophobicContact CD2-CB 4.3Å; L143-Q158 HydrophobicContact CD2-CG 4.25Å; L143-Q158 WeakPolarHBondContact CD2-O 3.37Å; V145-Q158 HydrophobicContact CG1-CG 4.33Å; Y156-Q158 PolarHBondContact O-N 3.15Å; Y156-Q158 VanDerWaalsContact O-N 3.09Å; Q158-E161 PolarHBondContact O-N 2.9Å; Q158-R162 VanDerWaalsContact O-CB 3.27Å; Q158-R162 WeakPolarHBondContact O-CB 3.45Å; Q158-R162 PolarHBondContact O-N 3.02Å
159	Y	88.2	Confident	85.7	Confident	70 Å²	70	77.6 Å²	77.6	28%	0.275	38%	0.38	S	S	.	.	H	α-helix	trans	-58.4	-56.5	176.2	175.1	-96.5	0	0	0	111.4	I116 I153 E154 Y156 S157 E161 R162 L163	I116-Y159 HydrophobicContact CD1-CD2 3.86Å; I116-Y159 HydrophobicContact CD1-CE2 3.87Å; I116-Y159 HydrophobicContact CG2-CD2 4Å; I116-Y159 HydrophobicContact CG2-CE2 4.44Å; I153-Y159 HydrophobicContact CG2-CD2 3.51Å; I153-Y159 HydrophobicContact CG2-CE2 4.03Å; I153-Y159 HydrophobicContact CG2-CG 4.35Å; I153-Y159 WeakPolarHBondContact O-CB 3.21Å; E154-Y159 HydrophobicContact CB-CD1 4.23Å; E154-Y159 HydrophobicContact CB-CE1 4.33Å; Y156-Y159 VanDerWaalsContact O-CB 3.26Å; Y156-Y159 WeakPolarHBondContact O-CB 3.37Å; Y156-Y159 PolarHBondContact O-N 2.84Å; S157-Y159 PolarHBondContact O-N 3.21Å; Y159-E161 VanDerWaalsContact C-N 3.33Å; Y159-E161 PolarHBondContact O-N 2.62Å; Y159-R162 PolarHBondContact O-N 2.97Å; Y159-L163 VanDerWaalsContact O-CB 3.31Å; Y159-L163 WeakPolarHBondContact O-CB 3.21Å; Y159-L163 PolarHBondContact O-N 3.25Å
160	L	87.2	Confident	85.6	Confident	80 Å²	80	78.4 Å²	78.4	42%	0.419	38%	0.38	S	S	.	.	H	α-helix	trans	-67.7	-35.4	-178.8	-71.1	178.9	0	0	0	111.8	S157 R164	S157-L160 PolarHBondContact O-N 3.19Å; L160-R164 WeakPolarHBondContact O-CB 3.48Å; L160-R164 VanDerWaalsContact O-CG 3.24Å; L160-R164 WeakPolarHBondContact O-CG 3.21Å; L160-R164 PolarHBondContact O-N 3.3Å
161	E	90.9	Very high	85.2	Confident	117 Å²	117	77.5 Å²	77.5	55%	0.547	38%	0.377	S	S	.	.	H	α-helix	trans	-64.3	-48.7	177.3	-71.3	173.4	-169	0	0	111.8	S157 Q158 Y159 L163 R164 R165	S157-E161 WeakPolarHBondContact O-CG 3.35Å; S157-E161 PolarHBondContact O-N 3.4Å; Q158-E161 PolarHBondContact O-N 2.9Å; Y159-E161 VanDerWaalsContact C-N 3.33Å; Y159-E161 PolarHBondContact O-N 2.62Å; E161-L163 PolarHBondContact O-N 2.8Å; E161-R164 PolarHBondContact O-N 2.67Å; E161-R165 WeakPolarHBondContact O-CB 3.36Å; E161-R165 PolarHBondContact O-N 3.29Å
162	R	92.1	Very high	84.7	Confident	20 Å²	20	75.3 Å²	75.3	8%	0.075	37%	0.368	C	S	.	.	H	α-helix	trans	-63.3	-43.3	177.8	-179.4	76.4	-167.7	83.5	-10.7	111.7	L114 V140 E141 L143 Q158 Y159 R165 F166 E170	L114-R162 HydrophobicContact CD1-CG 3.92Å; L114-R162 VanDerWaalsContact CD1-CZ 3.43Å; L114-R162 HydrophobicContact CD2-CG 3.79Å; V140-R162 VanDerWaalsContact CG2-NH2 3.31Å; E141-R162 PolarHBondContact O-NE 3.32Å; E141-R162 PolarHBondContact O-NH2 3.32Å; L143-R162 HydrophobicContact CB-CB 4.15Å; L143-R162 HydrophobicContact CB-CG 3.64Å; L143-R162 HydrophobicContact CD2-CB 3.56Å; L143-R162 HydrophobicContact CD2-CG 4.03Å; L143-R162 HydrophobicContact CG-CB 4.37Å; L143-R162 HydrophobicContact CG-CG 4.39Å; Q158-R162 VanDerWaalsContact O-CB 3.27Å; Q158-R162 WeakPolarHBondContact O-CB 3.45Å; Q158-R162 PolarHBondContact O-N 3.02Å; Y159-R162 PolarHBondContact O-N 2.97Å; R162-R165 PolarHBondContact O-N 2.76Å; R162-F166 WeakPolarHBondContact O-CB 3.48Å; R162-F166 PolarHBondContact O-N 3.31Å; R162-E170 IonicContact CZ-OE1 3.4Å; R162-E170 IonicContact CZ-OE2 3.84Å; R162-E170 VanDerWaalsContact CZ-OE2 3.23Å; R162-E170 IonicContact NH1-OE1 3.61Å; R162-E170 IonicContact NH1-OE2 3.64Å; R162-E170 PolarHBondContact NH1-OE2 3.16Å; R162-E170 IonicContact NH2-OE1 2.83Å; R162-E170 PolarHBondContact NH2-OE1 3Å; R162-E170 IonicContact NH2-OE2 3.44Å; R162-E170 PolarHBondContact NH2-OE2 2.93Å
163	L	86.4	Confident	83.4	Confident	56 Å²	56	77.4 Å²	77.4	29%	0.293	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-45.2	178.7	-169.3	119.5	0	0	0	110.7	Y159 E161 R165 F166 I167	Y159-L163 VanDerWaalsContact O-CB 3.31Å; Y159-L163 WeakPolarHBondContact O-CB 3.21Å; Y159-L163 PolarHBondContact O-N 3.25Å; E161-L163 PolarHBondContact O-N 2.8Å; L163-R165 PolarHBondContact O-N 2.88Å; L163-F166 PolarHBondContact O-N 2.93Å; L163-I167 HydrophobicContact CD2-CD1 3.71Å; L163-I167 HydrophobicContact CG-CD1 4.03Å; L163-I167 VanDerWaalsContact O-CG1 3.28Å; L163-I167 WeakPolarHBondContact O-CG1 3.2Å; L163-I167 PolarHBondContact O-N 3.31Å
164	R	86.8	Confident	81.9	Confident	156 Å²	156	81.6 Å²	81.6	59%	0.589	41%	0.405	S	S	*	.	H	α-helix	trans	-60.4	-45.8	174.1	-77.3	179.3	-173.6	119.7	-0.2	111.9	L160 E161 F166 I167 S168	L160-R164 WeakPolarHBondContact O-CB 3.48Å; L160-R164 VanDerWaalsContact O-CG 3.24Å; L160-R164 WeakPolarHBondContact O-CG 3.21Å; L160-R164 PolarHBondContact O-N 3.3Å; E161-R164 PolarHBondContact O-N 2.67Å; R164-F166 PolarHBondContact O-N 3.39Å; R164-I167 PolarHBondContact O-N 2.73Å; R164-S168 VanDerWaalsContact O-CB 3.29Å; R164-S168 WeakPolarHBondContact O-CB 3.46Å; R164-S168 PolarHBondContact O-N 3.41Å; R164-S168 PolarHBondContact O-OG 2.85Å
165	R	88.8	Confident	80.4	Confident	123 Å²	123	86.2 Å²	86.2	46%	0.464	42%	0.418	S	S	.	.	H	α-helix	trans	-58.6	-47.1	177.1	175.5	-180	162.6	165.2	3	111.4	E161 R162 L163 I167 S168 Q169 E170	E161-R165 WeakPolarHBondContact O-CB 3.36Å; E161-R165 PolarHBondContact O-N 3.29Å; R162-R165 PolarHBondContact O-N 2.76Å; L163-R165 PolarHBondContact O-N 2.88Å; R165-I167 VanDerWaalsContact C-N 3.33Å; R165-I167 PolarHBondContact O-N 3.07Å; R165-S168 PolarHBondContact O-N 3.28Å; R165-Q169 WeakPolarHBondContact O-CB 3.36Å; R165-Q169 PolarHBondContact O-N 3.16Å; R165-E170 IonicContact CZ-OE1 3.49Å; R165-E170 IonicContact NE-OE1 2.85Å; R165-E170 PolarHBondContact NE-OE1 3.33Å; R165-E170 IonicContact NH2-OE1 3.36Å; R165-E170 PolarHBondContact NH2-OE1 3.29Å; R165-E170 PolarHBondContact O-N 3.09Å
166	F	87.9	Confident	78	Confident	30 Å²	30	87.5 Å²	87.5	13%	0.132	45%	0.448	C	S	.	.	I	π-helix	trans	-57.6	-48.8	178.7	178.7	-120.5	0	0	0	111.6	P112 L114 V140 R162 L163 R164 E170 L171	P112-F166 HydrophobicContact CB-CE2 3.64Å; P112-F166 HydrophobicContact CB-CZ 4.17Å; P112-F166 WeakPolarHBondContact O-CZ 3.47Å; L114-F166 HydrophobicContact CB-CB 4.36Å; L114-F166 HydrophobicContact CB-CD1 3.76Å; L114-F166 HydrophobicContact CB-CD2 3.69Å; L114-F166 HydrophobicContact CB-CE1 3.83Å; L114-F166 HydrophobicContact CB-CE2 3.73Å; L114-F166 HydrophobicContact CB-CG 3.68Å; L114-F166 HydrophobicContact CB-CZ 3.8Å; L114-F166 HydrophobicContact CD2-CB 3.66Å; L114-F166 HydrophobicContact CD2-CD1 4.08Å; L114-F166 HydrophobicContact CD2-CG 3.86Å; L114-F166 HydrophobicContact CG-CG 4.38Å; V140-F166 HydrophobicContact CG1-CE2 4.26Å; V140-F166 HydrophobicContact CG2-CD2 3.6Å; V140-F166 HydrophobicContact CG2-CE2 3.56Å; R162-F166 WeakPolarHBondContact O-CB 3.48Å; R162-F166 PolarHBondContact O-N 3.31Å; L163-F166 PolarHBondContact O-N 2.93Å; R164-F166 PolarHBondContact O-N 3.39Å; F166-E170 WeakPolarHBondContact CA-OE2 3.2Å; F166-E170 HydrophobicContact CD2-CB 4.02Å; F166-E170 WeakPolarHBondContact CD2-OE2 3.38Å; F166-E170 PolarHBondContact O-N 3.27Å; F166-L171 HydrophobicContact CD1-CD1 3.92Å; F166-L171 HydrophobicContact CD1-CG 4.15Å; F166-L171 HydrophobicContact CD2-CG 4.35Å; F166-L171 HydrophobicContact CE1-CD1 3.77Å; F166-L171 HydrophobicContact CE1-CD2 3.94Å; F166-L171 HydrophobicContact CE1-CG 3.9Å; F166-L171 HydrophobicContact CE2-CD2 4.07Å; F166-L171 HydrophobicContact CE2-CG 4.15Å; F166-L171 HydrophobicContact CG-CG 4.38Å; F166-L171 HydrophobicContact CZ-CD1 4.29Å; F166-L171 HydrophobicContact CZ-CD2 3.62Å; F166-L171 HydrophobicContact CZ-CG 3.92Å; F166-L171 WeakPolarHBondContact O-CB 3.35Å; F166-L171 WeakPolarHBondContact O-CG 3.43Å; F166-L171 PolarHBondContact O-N 3.35Å
167	I	81.3	Confident	77.5	Confident	87 Å²	87	88.2 Å²	88.2	45%	0.446	46%	0.456	S	S	.	.	I	π-helix	trans	-66.5	-43.1	-178.6	-66.1	166.8	0	0	0	111.9	L163 R164 R165 L171 P172	L163-I167 HydrophobicContact CD2-CD1 3.71Å; L163-I167 HydrophobicContact CG-CD1 4.03Å; L163-I167 VanDerWaalsContact O-CG1 3.28Å; L163-I167 WeakPolarHBondContact O-CG1 3.2Å; L163-I167 PolarHBondContact O-N 3.31Å; R164-I167 PolarHBondContact O-N 2.73Å; R165-I167 VanDerWaalsContact C-N 3.33Å; R165-I167 PolarHBondContact O-N 3.07Å; I167-L171 HydrophobicContact CB-CD1 4.38Å; I167-L171 HydrophobicContact CG1-CD1 4.13Å; I167-P172 WeakPolarHBondContact O-CD 3.43Å
168	S	82.9	Confident	76.9	Confident	71 Å²	71	88.2 Å²	88.2	50%	0.497	45%	0.448	S	S	.	.	I	π-helix	trans	-85.7	-26.9	-171.6	57.3	0	0	0	0	114.5	R164 R165 P172	R164-S168 VanDerWaalsContact O-CB 3.29Å; R164-S168 WeakPolarHBondContact O-CB 3.46Å; R164-S168 PolarHBondContact O-N 3.41Å; R164-S168 PolarHBondContact O-OG 2.85Å; R165-S168 PolarHBondContact O-N 3.28Å; S168-P172 WeakPolarHBondContact O-CG 3.19Å
169	Q	83.1	Confident	76.1	Confident	111 Å²	111	89.4 Å²	89.4	52%	0.519	46%	0.456	S	S	.	.	I	π-helix	trans	-122.1	-47.9	-169.3	-60.8	175.7	8.1	0	0	111.9	R165 P172 S173	R165-Q169 WeakPolarHBondContact O-CB 3.36Å; R165-Q169 PolarHBondContact O-N 3.16Å; Q169-P172 WeakPolarHBondContact O-CD 3.45Å; Q169-S173 WeakPolarHBondContact O-CB 3.48Å; Q169-S173 PolarHBondContact O-N 2.72Å; Q169-S173 PolarHBondContact O-OG 3.12Å
170	E	81.4	Confident	75.4	Confident	30 Å²	30	90.5 Å²	90.5	14%	0.14	47%	0.466	C	S	.	.	I	π-helix	trans	-85.7	-34.6	-170.6	-67.9	158.6	-175.7	0	0	112.1	P112 V140 R162 R165 F166	P112-E170 WeakPolarHBondContact CG-O 3.5Å; V140-E170 HydrophobicContact CG1-CB 4.26Å; R162-E170 IonicContact CZ-OE1 3.4Å; R162-E170 IonicContact CZ-OE2 3.84Å; R162-E170 VanDerWaalsContact CZ-OE2 3.23Å; R162-E170 IonicContact NH1-OE1 3.61Å; R162-E170 IonicContact NH1-OE2 3.64Å; R162-E170 PolarHBondContact NH1-OE2 3.16Å; R162-E170 IonicContact NH2-OE1 2.83Å; R162-E170 PolarHBondContact NH2-OE1 3Å; R162-E170 IonicContact NH2-OE2 3.44Å; R162-E170 PolarHBondContact NH2-OE2 2.93Å; R165-E170 IonicContact CZ-OE1 3.49Å; R165-E170 IonicContact NE-OE1 2.85Å; R165-E170 PolarHBondContact NE-OE1 3.33Å; R165-E170 IonicContact NH2-OE1 3.36Å; R165-E170 PolarHBondContact NH2-OE1 3.29Å; R165-E170 PolarHBondContact O-N 3.09Å; F166-E170 WeakPolarHBondContact CA-OE2 3.2Å; F166-E170 HydrophobicContact CD2-CB 4.02Å; F166-E170 WeakPolarHBondContact CD2-OE2 3.38Å; F166-E170 PolarHBondContact O-N 3.27Å
171	L	69.6	Low	74.7	Confident	27 Å²	27	91.2 Å²	91.2	14%	0.141	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-38.6	173	-72.9	174.3	0	0	0	113.3	Y38 P112 F166 I167	Y38-L171 HydrophobicContact CE1-CD2 4Å; Y38-L171 HydrophobicContact CE2-CD1 4.5Å; Y38-L171 HydrophobicContact CE2-CD2 4.22Å; P112-L171 HydrophobicContact CB-CD2 4.11Å; P112-L171 HydrophobicContact CG-CD2 4.35Å; F166-L171 HydrophobicContact CD1-CD1 3.92Å; F166-L171 HydrophobicContact CD1-CG 4.15Å; F166-L171 HydrophobicContact CD2-CG 4.35Å; F166-L171 HydrophobicContact CE1-CD1 3.77Å; F166-L171 HydrophobicContact CE1-CD2 3.94Å; F166-L171 HydrophobicContact CE1-CG 3.9Å; F166-L171 HydrophobicContact CE2-CD2 4.07Å; F166-L171 HydrophobicContact CE2-CG 4.15Å; F166-L171 HydrophobicContact CG-CG 4.38Å; F166-L171 HydrophobicContact CZ-CD1 4.29Å; F166-L171 HydrophobicContact CZ-CD2 3.62Å; F166-L171 HydrophobicContact CZ-CG 3.92Å; F166-L171 WeakPolarHBondContact O-CB 3.35Å; F166-L171 WeakPolarHBondContact O-CG 3.43Å; F166-L171 PolarHBondContact O-N 3.35Å; I167-L171 HydrophobicContact CB-CD1 4.38Å; I167-L171 HydrophobicContact CG1-CD1 4.13Å
172	P	66.5	Low	73.6	Confident	58 Å²	58	89.5 Å²	89.5	38%	0.377	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-25.6	176.7	-22.5	37.4	0	0	0	115.5	I167 S168 Q169 Q174 R175	I167-P172 WeakPolarHBondContact O-CD 3.43Å; S168-P172 WeakPolarHBondContact O-CG 3.19Å; Q169-P172 WeakPolarHBondContact O-CD 3.45Å; P172-Q174 PolarHBondContact O-N 2.69Å; P172-Q174 VanDerWaalsContact O-N 3.12Å; P172-R175 WeakPolarHBondContact O-CB 3.44Å; P172-R175 WeakPolarHBondContact O-CG 3.32Å; P172-R175 PolarHBondContact O-N 3.15Å
173	S	59.1	Low	72.3	Confident	90 Å²	90	94.4 Å²	94.4	63%	0.629	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-68.7	-7.4	-172	-67	0	0	0	0	115.7	Q169 R175	Q169-S173 WeakPolarHBondContact O-CB 3.48Å; Q169-S173 PolarHBondContact O-N 2.72Å; Q169-S173 PolarHBondContact O-OG 3.12Å; S173-R175 VanDerWaalsContact C-N 3.26Å; S173-R175 PolarHBondContact O-N 3.14Å
174	Q	53.1	Low	71.2	Confident	109 Å²	109	97.4 Å²	97.4	51%	0.509	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-87.8	16.8	173	-62.4	-82.4	-60.3	0	0	112.7	P112 P172	P112-Q174 HydrophobicContact CG-CG 3.79Å; P172-Q174 PolarHBondContact O-N 2.69Å; P172-Q174 VanDerWaalsContact O-N 3.12Å
175	R	48.8	Very low	69.9	Low	209 Å²	209	92.5 Å²	92.5	79%	0.789	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-96.2	7.6	179.7	-72.6	-173.7	178.3	-169.8	0.6	114.8	P172 S173	P172-R175 WeakPolarHBondContact O-CB 3.44Å; P172-R175 WeakPolarHBondContact O-CG 3.32Å; P172-R175 PolarHBondContact O-N 3.15Å; S173-R175 VanDerWaalsContact C-N 3.26Å; S173-R175 PolarHBondContact O-N 3.14Å
176	A	36.5	Very low	68.2	Low	165 Å²	165	89.7 Å²	89.7	100%	1.364	50%	0.504	S	S	*	.			trans	-104.2	0	172.2	0	0	0	0	0	110.7

Retrieved 176 of 176 residues in 78.3 ms (Link to these results)

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