A0A5K4FG60_SCHMA Loading...

NERD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FG60, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 188 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	M	41.8	Very low	38.3	Very low	240 Å²	240	105.2 Å²	105.2	100%	1.182	57%	0.571	S	S	*	*				0	15.1	0	-145.8	-178.7	-70.3	0	0	111.7
2	E	34.5	Very low	37.7	Very low	172 Å²	172	106.7 Å²	106.7	80%	0.804	58%	0.578	S	S	*	*			trans	-116.1	-11.5	174.8	-70.9	178.2	151	0	0	112.3	F4	E2-F4 PolarHBondContact O-N 3.24Å
3	D	42.1	Very low	37.1	Very low	138 Å²	138	110.3 Å²	110.3	74%	0.738	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-4.9	-171.1	-74.9	-39.6	0	0	0	116.4	S6	D3-S6 WeakPolarHBondContact CA-OG 3.36Å; D3-S6 PolarHBondContact O-OG 3.27Å
4	F	37	Very low	36.7	Very low	82 Å²	82	106.7 Å²	106.7	36%	0.36	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.5	-24.4	-179.9	-163.3	-93.7	0	0	0	112.7	E2 S6 L10 L185 L188	E2-F4 PolarHBondContact O-N 3.24Å; F4-S6 PolarHBondContact O-N 3.32Å; F4-L10 HydrophobicContact CD1-CD1 4.27Å; F4-L10 HydrophobicContact CE1-CD1 3.83Å; F4-L10 HydrophobicContact CZ-CD1 4.39Å; F4-L185 HydrophobicContact CE1-CD2 3.48Å; F4-L185 VanDerWaalsContact CE1-CD2 3.48Å; F4-L185 HydrophobicContact CZ-CD2 3.36Å; F4-L185 HydrophobicContact CZ-CG 4.43Å; F4-L188 HydrophobicContact CD1-CD1 3.27Å; F4-L188 HydrophobicContact CD2-CD1 4.32Å; F4-L188 HydrophobicContact CE1-CD1 3.34Å; F4-L188 HydrophobicContact CE2-CD1 4.38Å; F4-L188 HydrophobicContact CG-CD1 3.8Å; F4-L188 HydrophobicContact CZ-CD1 3.93Å
5	L	38.6	Very low	36.3	Very low	82 Å²	82	107.1 Å²	107.1	43%	0.429	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	-2.1	169.4	-67.9	175.3	0	0	0	112.4	T11 K143	L5-T11 WeakPolarHBondContact O-CG2 3.24Å; L5-K143 HydrophobicContact CD2-CD 3.9Å
6	S	37	Very low	36.3	Very low	60 Å²	60	107.1 Å²	107.1	42%	0.42	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109.2	10.5	176.7	42.8	0	0	0	0	113.1	D3 F4 P8	D3-S6 WeakPolarHBondContact CA-OG 3.36Å; D3-S6 PolarHBondContact O-OG 3.27Å; F4-S6 PolarHBondContact O-N 3.32Å; S6-P8 WeakPolarHBondContact O-CD 3.13Å; S6-P8 VanDerWaalsContact O-N 3.15Å
7	D	40.7	Very low	36.1	Very low	59 Å²	59	107.8 Å²	107.8	32%	0.316	59%	0.591	S	S	.	*			trans	-60.1	115.8	166.9	-172.3	-29.7	0	0	0	108.7	S9 L10 T11	D7-S9 PolarHBondContact O-N 3.05Å; D7-S9 VanDerWaalsContact OD1-CB 3.32Å; D7-S9 WeakPolarHBondContact OD1-CB 3.41Å; D7-S9 PolarHBondContact OD1-N 3.47Å; D7-S9 PolarHBondContact OD1-OG 3.34Å; D7-S9 PolarHBondContact OD2-OG 3.26Å; D7-L10 HydrophobicContact CB-CB 4.29Å; D7-L10 HydrophobicContact CB-CD1 4.14Å; D7-L10 HydrophobicContact CB-CG 4.36Å; D7-L10 CarbonylContact O-C 3.5Å; D7-L10 WeakPolarHBondContact O-CA 3.27Å; D7-L10 PolarHBondContact O-N 3.16Å; D7-T11 WeakPolarHBondContact O-CG2 3.27Å; D7-T11 PolarHBondContact O-N 3.12Å; D7-T11 PolarHBondContact O-OG1 3.36Å
8	P	38.7	Very low	36.1	Very low	95 Å²	95	104 Å²	104	62%	0.617	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-23.6	179.6	-24.1	34.6	0	0	0	113.9	S6 T11 D12	S6-P8 WeakPolarHBondContact O-CD 3.13Å; S6-P8 VanDerWaalsContact O-N 3.15Å; P8-T11 VanDerWaalsContact CA-OG1 3.24Å; P8-T11 WeakPolarHBondContact CA-OG1 3.33Å; P8-T11 CarbonylContact O-C 3.53Å; P8-T11 PolarHBondContact O-N 2.97Å; P8-D12 WeakPolarHBondContact O-CA 3.17Å; P8-D12 PolarHBondContact O-N 3.07Å
9	S	38.6	Very low	36.1	Very low	87 Å²	87	105.8 Å²	105.8	61%	0.608	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-20.2	176.1	71	0	0	0	0	113.8	D7	D7-S9 PolarHBondContact O-N 3.05Å; D7-S9 VanDerWaalsContact OD1-CB 3.32Å; D7-S9 WeakPolarHBondContact OD1-CB 3.41Å; D7-S9 PolarHBondContact OD1-N 3.47Å; D7-S9 PolarHBondContact OD1-OG 3.34Å; D7-S9 PolarHBondContact OD2-OG 3.26Å
10	L	38.1	Very low	36.3	Very low	76 Å²	76	105.7 Å²	105.7	40%	0.398	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.2	-16.4	167.5	-70.4	169.1	0	0	0	112.4	F4 D7	F4-L10 HydrophobicContact CD1-CD1 4.27Å; F4-L10 HydrophobicContact CE1-CD1 3.83Å; F4-L10 HydrophobicContact CZ-CD1 4.39Å; D7-L10 HydrophobicContact CB-CB 4.29Å; D7-L10 HydrophobicContact CB-CD1 4.14Å; D7-L10 HydrophobicContact CB-CG 4.36Å; D7-L10 CarbonylContact O-C 3.5Å; D7-L10 WeakPolarHBondContact O-CA 3.27Å; D7-L10 PolarHBondContact O-N 3.16Å
11	T	34.7	Very low	36.9	Very low	66 Å²	66	105.6 Å²	105.6	41%	0.405	56%	0.564	S	S	.	*			trans	-112.8	22.2	179.3	72.2	0	0	0	0	113.6	L5 D7 P8 N13	L5-T11 WeakPolarHBondContact O-CG2 3.24Å; D7-T11 WeakPolarHBondContact O-CG2 3.27Å; D7-T11 PolarHBondContact O-N 3.12Å; D7-T11 PolarHBondContact O-OG1 3.36Å; P8-T11 VanDerWaalsContact CA-OG1 3.24Å; P8-T11 WeakPolarHBondContact CA-OG1 3.33Å; P8-T11 CarbonylContact O-C 3.53Å; P8-T11 PolarHBondContact O-N 2.97Å; T11-N13 PolarHBondContact O-N 2.88Å
12	D	31.2	Very low	36.8	Very low	123 Å²	123	103.5 Å²	103.5	66%	0.658	55%	0.549	S	S	*	.	S	Bend	trans	-67.6	87.4	176	-164	15.7	0	0	0	109	P8 S14	P8-D12 WeakPolarHBondContact O-CA 3.17Å; P8-D12 PolarHBondContact O-N 3.07Å; D12-S14 PolarHBondContact O-N 3.27Å; D12-S14 PolarHBondContact O-OG 3Å
13	N	29.4	Very low	37.3	Very low	154 Å²	154	104.9 Å²	104.9	82%	0.824	56%	0.555	S	S	*	*	S	Bend	trans	18.8	29.3	159.7	-82.7	-24.6	0	0	0	119.9	T11 S15	T11-N13 PolarHBondContact O-N 2.88Å; N13-S15 PolarHBondContact O-N 2.84Å
14	S	31.4	Very low	37.3	Very low	60 Å²	60	100.1 Å²	100.1	42%	0.42	53%	0.531	S	S	.	.			trans	-85.7	98.9	168.3	35.1	0	0	0	0	105.2	D12 F16	D12-S14 PolarHBondContact O-N 3.27Å; D12-S14 PolarHBondContact O-OG 3Å; S14-F16 WeakPolarHBondContact O-CD2 3.46Å; S14-F16 WeakPolarHBondContact O-CG 3.17Å; S14-F16 PolarHBondContact O-N 3.16Å; S14-F16 WeakPolarHBondContact OG-CE2 3.46Å; S14-F16 WeakPolarHBondContact OG-CZ 3.42Å
15	S	30.1	Very low	37.4	Very low	112 Å²	112	106.9 Å²	106.9	78%	0.783	56%	0.556	S	S	*	*			trans	-62.3	76.4	170.7	32.1	0	0	0	0	108.7	N13 I17	N13-S15 PolarHBondContact O-N 2.84Å; S15-I17 PolarHBondContact O-N 2.87Å
16	F	36.9	Very low	37.7	Very low	108 Å²	108	107.4 Å²	107.4	47%	0.474	55%	0.552	S	S	.	*			trans	-74.4	98.2	177.7	-61.6	-57.7	0	0	0	108.6	S14 I18 P103	S14-F16 WeakPolarHBondContact O-CD2 3.46Å; S14-F16 WeakPolarHBondContact O-CG 3.17Å; S14-F16 PolarHBondContact O-N 3.16Å; S14-F16 WeakPolarHBondContact OG-CE2 3.46Å; S14-F16 WeakPolarHBondContact OG-CZ 3.42Å; F16-I18 PolarHBondContact O-N 3.4Å; F16-P103 HydrophobicContact CB-CG 4.14Å; F16-P103 HydrophobicContact CD1-CB 3.36Å; F16-P103 HydrophobicContact CD1-CG 3.42Å; F16-P103 VanDerWaalsContact CD1-CG 3.42Å; F16-P103 HydrophobicContact CD2-CG 4.3Å; F16-P103 HydrophobicContact CE1-CB 3.28Å; F16-P103 HydrophobicContact CE1-CG 3.75Å; F16-P103 HydrophobicContact CG-CB 4.17Å; F16-P103 HydrophobicContact CG-CG 3.7Å; F16-P103 HydrophobicContact CZ-CB 4.01Å; F16-P103 HydrophobicContact CZ-CG 4.29Å
17	I	32.6	Very low	37.9	Very low	118 Å²	118	107.4 Å²	107.4	61%	0.605	55%	0.548	S	S	*	.			trans	-82.3	112.5	166.2	-53.5	177	0	0	0	106.8	S15 Y19	S15-I17 PolarHBondContact O-N 2.87Å; I17-Y19 HydrophobicContact CB-CE2 4.2Å; I17-Y19 HydrophobicContact CG2-CD2 4.3Å; I17-Y19 HydrophobicContact CG2-CE1 4.04Å; I17-Y19 HydrophobicContact CG2-CE2 3.54Å; I17-Y19 WeakPolarHBondContact CG2-OH 3.41Å
18	I	36.5	Very low	37.8	Very low	40 Å²	40	111.7 Å²	111.7	21%	0.205	56%	0.564	C	S	.	*			trans	-98.8	127.8	-178.1	-61.9	157.9	0	0	0	108.6	F16 V100 I144 S148	F16-I18 PolarHBondContact O-N 3.4Å; I18-V100 HydrophobicContact CG2-CB 3.62Å; I18-V100 HydrophobicContact CG2-CG1 3.95Å; I18-I144 HydrophobicContact CD1-CG2 3.61Å; I18-I144 HydrophobicContact CG1-CG2 4.33Å; I18-S148 WeakPolarHBondContact CD1-OG 3.31Å; I18-S148 WeakPolarHBondContact CG2-OG 3.38Å
19	Y	36.5	Very low	37.7	Very low	138 Å²	138	112.4 Å²	112.4	54%	0.541	56%	0.559	S	S	.	*			trans	-113.4	137.7	175.5	-61.8	-81.3	0	0	0	111	I17 R21 Q101	I17-Y19 HydrophobicContact CB-CE2 4.2Å; I17-Y19 HydrophobicContact CG2-CD2 4.3Å; I17-Y19 HydrophobicContact CG2-CE1 4.04Å; I17-Y19 HydrophobicContact CG2-CE2 3.54Å; I17-Y19 WeakPolarHBondContact CG2-OH 3.41Å; Y19-R21 PolarHBondContact O-N 2.97Å; Y19-Q101 WeakPolarHBondContact O-CB 3.19Å; Y19-Q101 PolarHBondContact O-N 2.63Å; Y19-Q101 VanDerWaalsContact O-N 3.13Å
20	P	40.4	Very low	37.6	Very low	104 Å²	104	113.2 Å²	113.2	68%	0.675	56%	0.556	S	S	*	*	B	Isolated β-bridge	trans	-66.8	129.8	169.6	25.3	-30.1	0	0	0	109.9
21	R	47.4	Very low	37.7	Very low	104 Å²	104	112.7 Å²	112.7	39%	0.392	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-75.9	129.2	176.8	-84.3	-169.8	163	171.3	3.6	111.1	Y19 V24 E95	Y19-R21 PolarHBondContact O-N 2.97Å; R21-V24 HydrophobicContact CB-CG2 3.68Å; R21-V24 HydrophobicContact CG-CG2 4.42Å; R21-E95 IonicContact CZ-OE1 3.39Å; R21-E95 IonicContact CZ-OE2 3.97Å; R21-E95 IonicContact NE-OE1 3.04Å; R21-E95 IonicContact NH1-OE1 2.84Å; R21-E95 IonicContact NH1-OE2 3.13Å; R21-E95 PolarHBondContact NH1-OE2 3.43Å; R21-E95 IonicContact NH2-OE1 2.89Å; R21-E95 PolarHBondContact NH2-OE1 3.46Å; R21-E95 IonicContact NH2-OE2 2.96Å; R21-E95 PolarHBondContact NH2-OE2 3.41Å
22	K	39.9	Very low	38	Very low	195 Å²	195	114.5 Å²	114.5	85%	0.848	57%	0.568	S	S	*	*	S	Bend	trans	-76.2	141.3	162.6	-68.3	-176.7	177.1	-179.3	0	108.6
23	E	44.9	Very low	38.7	Very low	202 Å²	202	112 Å²	112	94%	0.944	55%	0.554	S	S	*	*	S	Bend	trans	80.4	15.8	170.7	-51.9	-178.8	174.9	0	0	118.9
24	V	42.6	Very low	39.5	Very low	38 Å²	38	112.4 Å²	112.4	23%	0.23	55%	0.545	C	S	.	.			trans	-87.7	133.4	173.3	-173.6	0	0	0	0	110.7	R21 Y26	R21-V24 HydrophobicContact CB-CG2 3.68Å; R21-V24 HydrophobicContact CG-CG2 4.42Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 WeakPolarHBondContact O-CD2 3.45Å; V24-Y26 WeakPolarHBondContact O-CE2 3.31Å; V24-Y26 PolarHBondContact O-N 3.34Å
25	Y	39.6	Very low	40.5	Very low	224 Å²	224	115.8 Å²	115.8	88%	0.878	56%	0.555	S	S	*	*			trans	-68.9	97.2	178.8	-157	-86.2	0	0	0	109.5
26	Y	45.5	Very low	41.9	Very low	92 Å²	92	112 Å²	112	36%	0.361	53%	0.525	S	S	.	.			trans	-85.9	118.4	176.6	-71.5	-75.6	0	0	0	111.4	V24 F28 P99	V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 WeakPolarHBondContact O-CD2 3.45Å; V24-Y26 WeakPolarHBondContact O-CE2 3.31Å; V24-Y26 PolarHBondContact O-N 3.34Å; Y26-F28 VanDerWaalsContact C-N 3.29Å; Y26-F28 HydrophobicContact CD1-CD2 4.21Å; Y26-F28 AromaticContact CD1-CE2 3.99Å; Y26-F28 HydrophobicContact CD1-CE2 3.99Å; Y26-F28 HydrophobicContact CG-CD2 4.17Å; Y26-F28 HydrophobicContact CG-CE2 4.24Å; Y26-F28 PolarHBondContact O-N 2.93Å; Y26-P99 HydrophobicContact CD1-CB 4.31Å; Y26-P99 HydrophobicContact CE1-CB 3.3Å; Y26-P99 HydrophobicContact CE1-CG 4.43Å; Y26-P99 WeakPolarHBondContact OH-CA 3.47Å; Y26-P99 VanDerWaalsContact OH-CB 3.31Å; Y26-P99 WeakPolarHBondContact OH-CB 3.38Å; Y26-P99 PolarHBondContact OH-O 3.34Å
27	D	39.6	Very low	43.9	Very low	61 Å²	61	107.8 Å²	107.8	33%	0.326	51%	0.509	S	S	.	.			trans	-90.5	69.4	160.3	-162.8	-10.5	0	0	0	108.8	H29 R67 R74	D27-H29 PolarHBondContact O-N 2.97Å; D27-H29 IonicContact OD1-CD2 2.66Å; D27-H29 PolarHBondContact OD1-CD2 3.47Å; D27-H29 IonicContact OD1-CE1 3.61Å; D27-H29 PolarHBondContact OD1-CE1 2.87Å; D27-H29 IonicContact OD1-CG 3.12Å; D27-H29 IonicContact OD1-ND1 2.63Å; D27-H29 PolarHBondContact OD1-ND1 2.62Å; D27-H29 IonicContact OD1-NE2 3.68Å; D27-H29 PolarHBondContact OD1-NE2 2.81Å; D27-H29 VanDerWaalsContact OD1-NE2 3.12Å; D27-R67 IonicContact OD1-NH2 3.83Å; D27-R67 PolarHBondContact OD1-NH2 2.97Å; D27-R67 IonicContact OD2-CZ 2.87Å; D27-R67 IonicContact OD2-NH1 3.27Å; D27-R67 IonicContact OD2-NH2 3.93Å; D27-R67 PolarHBondContact OD2-NH2 2.91Å; D27-R74 IonicContact OD2-NH2 2.72Å
28	F	38.8	Very low	46.4	Very low	149 Å²	149	102.7 Å²	102.7	65%	0.654	48%	0.483	S	S	*	.			trans	-70.8	83.5	159.6	-90.3	-82.7	0	0	0	107	Y26	Y26-F28 VanDerWaalsContact C-N 3.29Å; Y26-F28 HydrophobicContact CD1-CD2 4.21Å; Y26-F28 AromaticContact CD1-CE2 3.99Å; Y26-F28 HydrophobicContact CD1-CE2 3.99Å; Y26-F28 HydrophobicContact CG-CD2 4.17Å; Y26-F28 HydrophobicContact CG-CE2 4.24Å; Y26-F28 PolarHBondContact O-N 2.93Å
29	H	36.7	Very low	48.8	Very low	109 Å²	109	106.4 Å²	106.4	51%	0.505	49%	0.494	S	S	.	.			trans	-103.7	110.9	154.7	-61.5	-23.6	0	0	0	107.4	D27 T31 R67	D27-H29 PolarHBondContact O-N 2.97Å; D27-H29 IonicContact OD1-CD2 2.66Å; D27-H29 PolarHBondContact OD1-CD2 3.47Å; D27-H29 IonicContact OD1-CE1 3.61Å; D27-H29 PolarHBondContact OD1-CE1 2.87Å; D27-H29 IonicContact OD1-CG 3.12Å; D27-H29 IonicContact OD1-ND1 2.63Å; D27-H29 PolarHBondContact OD1-ND1 2.62Å; D27-H29 IonicContact OD1-NE2 3.68Å; D27-H29 PolarHBondContact OD1-NE2 2.81Å; D27-H29 VanDerWaalsContact OD1-NE2 3.12Å; H29-T31 PolarHBondContact O-N 2.88Å; H29-T31 VanDerWaalsContact O-N 3.09Å; H29-R67 VanDerWaalsContact CB-NH2 3.33Å; H29-R67 PolarHBondContact CD2-NH2 3.09Å
30	D	36.3	Very low	51.3	Low	104 Å²	104	100 Å²	100	56%	0.556	47%	0.469	S	S	*	.			trans	24.9	74.8	153.8	-157.3	-1.1	0	0	0	116.8	T32 N33	D30-T32 VanDerWaalsContact CG-OG1 3.25Å; D30-T32 PolarHBondContact O-N 3.31Å; D30-T32 VanDerWaalsContact OD1-CB 3.27Å; D30-T32 WeakPolarHBondContact OD1-CB 3.48Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.35Å; D30-T32 PolarHBondContact OD1-N 3.43Å; D30-T32 VanDerWaalsContact OD1-N 3.1Å; D30-T32 PolarHBondContact OD1-OG1 3.12Å; D30-T32 PolarHBondContact OD2-OG1 3.38Å; D30-N33 PolarHBondContact O-N 2.98Å
31	T	41.7	Very low	53.6	Low	65 Å²	65	96.4 Å²	96.4	40%	0.399	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	44.9	162.5	59.4	0	0	0	0	110.3	H29 P153 K155	H29-T31 PolarHBondContact O-N 2.88Å; H29-T31 VanDerWaalsContact O-N 3.09Å; T31-P153 HydrophobicContact CG2-CG 4.48Å; T31-P153 WeakPolarHBondContact OG1-CG 3.49Å; T31-K155 WeakPolarHBondContact O-CE 3.35Å
32	T	40.9	Very low	55.5	Low	105 Å²	105	92.6 Å²	92.6	64%	0.644	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-18.6	155.4	69.1	0	0	0	0	110.7	D30 K155	D30-T32 VanDerWaalsContact CG-OG1 3.25Å; D30-T32 PolarHBondContact O-N 3.31Å; D30-T32 VanDerWaalsContact OD1-CB 3.27Å; D30-T32 WeakPolarHBondContact OD1-CB 3.48Å; D30-T32 WeakPolarHBondContact OD1-CG2 3.35Å; D30-T32 PolarHBondContact OD1-N 3.43Å; D30-T32 VanDerWaalsContact OD1-N 3.1Å; D30-T32 PolarHBondContact OD1-OG1 3.12Å; D30-T32 PolarHBondContact OD2-OG1 3.38Å; T32-K155 PolarHBondContact O-NZ 3.3Å
33	N	44.8	Very low	57.8	Low	69 Å²	69	83.8 Å²	83.8	37%	0.369	40%	0.397	S	S	.	.	S	Bend	trans	-81.5	131.6	177	-154.9	-11.9	0	0	0	111.8	D30 Q35 D36 K155	D30-N33 PolarHBondContact O-N 2.98Å; N33-Q35 PolarHBondContact ND2-OE1 3.42Å; N33-Q35 PolarHBondContact O-N 3.09Å; N33-Q35 VanDerWaalsContact O-N 3.14Å; N33-Q35 WeakPolarHBondContact OD1-CG 3.46Å; N33-D36 PolarHBondContact O-N 2.89Å; N33-K155 PolarHBondContact O-NZ 3.23Å
34	Y	47.2	Very low	59.8	Low	164 Å²	164	80.9 Å²	80.9	64%	0.643	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-59.8	-20.6	176	-83.6	-90.4	0	0	0	112.2	D36 S37	Y34-D36 PolarHBondContact O-N 3.48Å; Y34-D36 VanDerWaalsContact O-N 3.08Å; Y34-S37 PolarHBondContact O-N 3.36Å
35	Q	50.7	Low	62	Low	131 Å²	131	81.9 Å²	81.9	61%	0.612	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-65.1	-7.6	-178.8	-65.3	179.1	-19	0	0	114.6	N33 S65	N33-Q35 PolarHBondContact ND2-OE1 3.42Å; N33-Q35 PolarHBondContact O-N 3.09Å; N33-Q35 VanDerWaalsContact O-N 3.14Å; N33-Q35 WeakPolarHBondContact OD1-CG 3.46Å; Q35-S65 WeakPolarHBondContact O-CB 3.45Å; Q35-S65 PolarHBondContact O-OG 2.62Å; Q35-S65 VanDerWaalsContact O-OG 3.09Å
36	D	61.1	Low	64.4	Low	31 Å²	31	72 Å²	72	17%	0.166	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-114	8.3	-174.4	-72.8	35.9	0	0	0	112.8	N33 Y34 R67	N33-D36 PolarHBondContact O-N 2.89Å; Y34-D36 PolarHBondContact O-N 3.48Å; Y34-D36 VanDerWaalsContact O-N 3.08Å; D36-R67 VanDerWaalsContact CG-CD 3.45Å; D36-R67 VanDerWaalsContact OD1-CD 3.3Å; D36-R67 WeakPolarHBondContact OD1-CD 3.37Å; D36-R67 IonicContact OD1-NE 3.78Å; D36-R67 VanDerWaalsContact OD2-CD 3.27Å; D36-R67 WeakPolarHBondContact OD2-CD 3.47Å; D36-R67 IonicContact OD2-CZ 3.63Å; D36-R67 IonicContact OD2-NE 3.4Å; D36-R67 PolarHBondContact OD2-NE 3.35Å
37	S	77.3	Confident	66.5	Low	20 Å²	20	75 Å²	75	14%	0.14	38%	0.376	C	S	.	.			trans	-104.3	175.3	-170.6	-155.3	0	0	0	0	113.6	Y34 S65	Y34-S37 PolarHBondContact O-N 3.36Å; S37-S65 PolarHBondContact N-OG 3.28Å; S37-S65 WeakPolarHBondContact O-CB 3.45Å; S37-S65 PolarHBondContact O-N 3.18Å; S37-S65 PolarHBondContact O-OG 2.93Å
38	F	86.2	Confident	69	Low	12 Å²	12	76.1 Å²	76.1	5%	0.053	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	163.5	153.7	58.5	-92.1	0	0	0	109	F40 H63 L64 V134 E137 R138	F38-F40 HydrophobicContact CD2-CE2 4.4Å; F38-F40 HydrophobicContact CD2-CZ 4.49Å; F38-F40 HydrophobicContact CE2-CE2 4.13Å; F38-F40 HydrophobicContact CE2-CZ 4.32Å; F38-H63 CarbonylContact C-O 3.57Å; F38-H63 WeakPolarHBondContact CA-O 3.44Å; F38-H63 WeakPolarHBondContact CB-O 3.46Å; F38-L64 HydrophobicContact CB-CD2 3.86Å; F38-V134 HydrophobicContact CB-CG2 3.96Å; F38-V134 HydrophobicContact CD1-CG2 4.31Å; F38-V134 HydrophobicContact CD2-CB 4.35Å; F38-V134 HydrophobicContact CD2-CG1 3.52Å; F38-V134 HydrophobicContact CD2-CG2 4.22Å; F38-V134 HydrophobicContact CE2-CG1 3.76Å; F38-V134 HydrophobicContact CG-CB 4.49Å; F38-V134 HydrophobicContact CG-CG1 4.09Å; F38-V134 HydrophobicContact CG-CG2 3.91Å; F38-E137 HydrophobicContact CE1-CB 3.73Å; F38-E137 HydrophobicContact CZ-CB 3.82Å; F38-R138 HydrophobicContact CE2-CB 4.06Å; F38-R138 HydrophobicContact CZ-CB 4.14Å
39	W	86.6	Confident	71.5	Confident	117 Å²	117	69 Å²	69	44%	0.443	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.7	170.9	67.4	96.4	0	0	0	111.5	H63 E159	W39-H63 AromaticContact CD1-CD2 3.77Å; W39-H63 HydrophobicContact CD2-CB 3.6Å; W39-H63 AromaticContact CE2-CD2 3.91Å; W39-H63 AromaticContact CE2-CG 3.66Å; W39-H63 HydrophobicContact CE3-CB 3.99Å; W39-H63 HydrophobicContact CG-CB 4.18Å; W39-H63 HydrophobicContact CH2-CB 3.77Å; W39-H63 HydrophobicContact CZ2-CB 3.36Å; W39-H63 AromaticContact CZ2-CG 3.81Å; W39-H63 HydrophobicContact CZ3-CB 4.06Å; W39-H63 PolarHBondContact N-O 2.93Å; W39-H63 AromaticContact NE1-CD2 3.34Å; W39-H63 PolarHBondContact NE1-CD2 3.32Å; W39-H63 VanDerWaalsContact NE1-CD2 3.34Å; W39-H63 AromaticContact NE1-CG 3.58Å; W39-H63 PolarHBondContact O-N 3.5Å; W39-E159 WeakPolarHBondContact CA-OE2 3.37Å; W39-E159 VanDerWaalsContact CB-OE2 3.28Å; W39-E159 WeakPolarHBondContact CB-OE2 3.28Å
40	F	89.1	Confident	74.1	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.018	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	144.3	173.2	-56.7	-75	0	0	0	110.8	F38 Y57 L58 F61 A62 V134 R138 E159 I163 F182 I186	F38-F40 HydrophobicContact CD2-CE2 4.4Å; F38-F40 HydrophobicContact CD2-CZ 4.49Å; F38-F40 HydrophobicContact CE2-CE2 4.13Å; F38-F40 HydrophobicContact CE2-CZ 4.32Å; F40-Y57 HydrophobicContact CD1-CE1 4.26Å; F40-L58 HydrophobicContact CD1-CD2 4.27Å; F40-L58 HydrophobicContact CE1-CD2 3.56Å; F40-L58 HydrophobicContact CZ-CD2 4.49Å; F40-F61 CarbonylContact C-O 3.46Å; F40-F61 WeakPolarHBondContact CA-O 3.28Å; F40-A62 HydrophobicContact CD1-CB 3.84Å; F40-A62 HydrophobicContact CE1-CB 3.81Å; F40-V134 HydrophobicContact CE1-CG1 3.43Å; F40-V134 VanDerWaalsContact CE1-CG1 3.43Å; F40-V134 HydrophobicContact CE2-CG1 4.28Å; F40-V134 HydrophobicContact CZ-CG1 3.27Å; F40-R138 HydrophobicContact CE2-CB 4.27Å; F40-R138 HydrophobicContact CE2-CG 3.99Å; F40-R138 HydrophobicContact CZ-CB 4.45Å; F40-E159 PolarHBondContact N-OE2 3.35Å; F40-I163 HydrophobicContact CB-CD1 4.23Å; F40-F182 HydrophobicContact CE1-CZ 4.34Å; F40-F182 HydrophobicContact CZ-CZ 4.45Å; F40-I186 HydrophobicContact CB-CD1 4.38Å; F40-I186 HydrophobicContact CD1-CD1 4.09Å; F40-I186 HydrophobicContact CD2-CB 4.49Å; F40-I186 HydrophobicContact CD2-CD1 3.94Å; F40-I186 HydrophobicContact CD2-CG1 4.02Å; F40-I186 HydrophobicContact CD2-CG2 3.58Å; F40-I186 HydrophobicContact CE1-CD1 4.34Å; F40-I186 HydrophobicContact CE2-CD1 4.19Å; F40-I186 HydrophobicContact CE2-CG1 3.98Å; F40-I186 HydrophobicContact CE2-CG2 4.11Å; F40-I186 HydrophobicContact CG-CD1 3.86Å; F40-I186 HydrophobicContact CG-CG1 4.45Å; F40-I186 HydrophobicContact CG-CG2 4.28Å; F40-I186 HydrophobicContact CZ-CD1 4.37Å; F40-I186 HydrophobicContact CZ-CG1 4.39Å
41	S	88.3	Confident	76.6	Confident	28 Å²	28	69 Å²	69	20%	0.196	35%	0.351	C	S	.	.			trans	-120.6	170.8	170.1	64.2	0	0	0	0	110.2	Y57 F61 H63	S41-Y57 WeakPolarHBondContact O-CE2 3.48Å; S41-Y57 PolarHBondContact O-OH 3.22Å; S41-F61 PolarHBondContact N-O 2.98Å; S41-F61 WeakPolarHBondContact O-CB 3.15Å; S41-F61 PolarHBondContact OG-O 3.5Å; S41-H63 PolarHBondContact OG-NE2 2.99Å
42	L	87.2	Confident	79.1	Confident	25 Å²	25	66.7 Å²	66.7	13%	0.131	34%	0.336	C	S	.	.			trans	-115.6	147.5	169.4	-73.2	168.6	0	0	0	109.6	L46 L49 Y57 I163 L166 L183	L42-L46 HydrophobicContact CB-CD2 3.91Å; L42-L46 HydrophobicContact CD1-CD2 4.32Å; L42-L46 HydrophobicContact CD2-CD2 4.42Å; L42-L46 HydrophobicContact CG-CD2 4.45Å; L42-L49 HydrophobicContact CD2-CD1 3.94Å; L42-Y57 HydrophobicContact CD2-CE2 4.1Å; L42-I163 HydrophobicContact CD1-CG1 4.3Å; L42-I163 HydrophobicContact CD1-CG2 4.33Å; L42-L166 HydrophobicContact CB-CD1 4.04Å; L42-L166 HydrophobicContact CD1-CB 3.66Å; L42-L166 HydrophobicContact CD1-CD1 3.48Å; L42-L166 VanDerWaalsContact CD1-CD1 3.48Å; L42-L166 HydrophobicContact CD1-CG 4.2Å; L42-L166 HydrophobicContact CG-CD1 4.35Å; L42-L183 HydrophobicContact CD2-CD1 4.27Å; L42-L183 HydrophobicContact CD2-CD2 3.91Å
43	P	89	Confident	81.6	Confident	10 Å²	10	63.8 Å²	63.8	7%	0.065	32%	0.32	C	S	.	.			trans	-60.2	145.8	172.8	22.6	-30.6	0	0	0	110.5	D45 I48 L49 F61	P43-D45 PolarHBondContact O-N 3.22Å; P43-I48 HydrophobicContact CB-CD1 4.45Å; P43-L49 HydrophobicContact CG-CD1 4.16Å; P43-L49 HydrophobicContact CG-CD2 3.83Å; P43-L49 HydrophobicContact CG-CG 3.77Å; P43-F61 HydrophobicContact CB-CE1 3.8Å; P43-F61 HydrophobicContact CB-CE2 4.24Å; P43-F61 HydrophobicContact CB-CZ 3.54Å; P43-F61 HydrophobicContact CG-CE1 4.45Å; P43-F61 HydrophobicContact CG-CE2 4.25Å; P43-F61 HydrophobicContact CG-CZ 4.04Å
44	S	86.6	Confident	83.9	Confident	140 Å²	140	60.7 Å²	60.7	98%	0.979	30%	0.304	S	S	*	.	S	Bend	trans	-60	-33.8	173.9	-50.9	0	0	0	0	112.2
45	D	89.9	Confident	86.2	Confident	60 Å²	60	53.2 Å²	53.2	32%	0.321	28%	0.275	S	S	.	.	S	Bend	trans	-101.2	99.6	167.4	-172	-5.2	0	0	0	110.1	P43 R47 I48	P43-D45 PolarHBondContact O-N 3.22Å; D45-R47 PolarHBondContact O-N 3.49Å; D45-R47 VanDerWaalsContact O-N 3.16Å; D45-R47 VanDerWaalsContact OD1-CB 3.3Å; D45-R47 WeakPolarHBondContact OD1-CB 3.43Å; D45-R47 WeakPolarHBondContact OD1-CG 3.41Å; D45-R47 IonicContact OD1-CZ 3.79Å; D45-R47 PolarHBondContact OD1-N 3.26Å; D45-R47 VanDerWaalsContact OD1-N 3.09Å; D45-R47 IonicContact OD1-NE 3.01Å; D45-R47 PolarHBondContact OD1-NE 3.34Å; D45-R47 IonicContact OD1-NH2 2.66Å; D45-R47 IonicContact OD2-CZ 3.73Å; D45-R47 IonicContact OD2-NE 2.92Å; D45-R47 PolarHBondContact OD2-NE 3.41Å; D45-R47 IonicContact OD2-NH2 3.97Å; D45-R47 PolarHBondContact OD2-NH2 3.49Å; D45-I48 HydrophobicContact CB-CD1 4.12Å; D45-I48 HydrophobicContact CB-CG1 4.29Å; D45-I48 WeakPolarHBondContact O-CB 3.45Å; D45-I48 WeakPolarHBondContact O-CG1 3.47Å; D45-I48 PolarHBondContact O-N 3.18Å
46	L	89	Confident	88.3	Confident	17 Å²	17	50 Å²	50	9%	0.089	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-62	-20.9	-179.1	-64.6	176.2	0	0	0	113.2	L42 I48 L49 Q169 L173	L42-L46 HydrophobicContact CB-CD2 3.91Å; L42-L46 HydrophobicContact CD1-CD2 4.32Å; L42-L46 HydrophobicContact CD2-CD2 4.42Å; L42-L46 HydrophobicContact CG-CD2 4.45Å; L46-I48 PolarHBondContact O-N 3.26Å; L46-L49 HydrophobicContact CD2-CD1 3.97Å; L46-L49 VanDerWaalsContact O-CB 3.26Å; L46-L49 WeakPolarHBondContact O-CB 3.49Å; L46-L49 WeakPolarHBondContact O-CG 3.43Å; L46-L49 PolarHBondContact O-N 2.87Å; L46-Q169 HydrophobicContact CD1-CB 3.62Å; L46-L173 HydrophobicContact CB-CD1 3.49Å; L46-L173 VanDerWaalsContact CB-CD1 3.49Å; L46-L173 WeakPolarHBondContact O-CD1 3.5Å
47	R	90.2	Very high	89.9	Confident	155 Å²	155	48.5 Å²	48.5	59%	0.585	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.9	179.5	-62.8	172.9	-66.1	179.4	3.7	112.8	D45 L49 E50 L173	D45-R47 PolarHBondContact O-N 3.49Å; D45-R47 VanDerWaalsContact O-N 3.16Å; D45-R47 VanDerWaalsContact OD1-CB 3.3Å; D45-R47 WeakPolarHBondContact OD1-CB 3.43Å; D45-R47 WeakPolarHBondContact OD1-CG 3.41Å; D45-R47 IonicContact OD1-CZ 3.79Å; D45-R47 PolarHBondContact OD1-N 3.26Å; D45-R47 VanDerWaalsContact OD1-N 3.09Å; D45-R47 IonicContact OD1-NE 3.01Å; D45-R47 PolarHBondContact OD1-NE 3.34Å; D45-R47 IonicContact OD1-NH2 2.66Å; D45-R47 IonicContact OD2-CZ 3.73Å; D45-R47 IonicContact OD2-NE 2.92Å; D45-R47 PolarHBondContact OD2-NE 3.41Å; D45-R47 IonicContact OD2-NH2 3.97Å; D45-R47 PolarHBondContact OD2-NH2 3.49Å; R47-L49 PolarHBondContact O-N 3.3Å; R47-E50 WeakPolarHBondContact O-CB 3.38Å; R47-E50 PolarHBondContact O-N 2.94Å; R47-E50 VanDerWaalsContact O-N 3.15Å; R47-L173 HydrophobicContact CG-CD2 4Å
48	I	91.3	Very high	90.8	Very high	84 Å²	84	47.6 Å²	47.6	43%	0.431	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-58.9	-31.4	175.3	-62	173.6	0	0	0	110.9	P43 D45 L46 E50 N51 M52	P43-I48 HydrophobicContact CB-CD1 4.45Å; D45-I48 HydrophobicContact CB-CD1 4.12Å; D45-I48 HydrophobicContact CB-CG1 4.29Å; D45-I48 WeakPolarHBondContact O-CB 3.45Å; D45-I48 WeakPolarHBondContact O-CG1 3.47Å; D45-I48 PolarHBondContact O-N 3.18Å; L46-I48 PolarHBondContact O-N 3.26Å; I48-E50 PolarHBondContact O-N 2.72Å; I48-N51 PolarHBondContact O-N 3.27Å; I48-M52 HydrophobicContact CG2-CE 3.55Å
49	L	91.8	Very high	91.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-66.5	-20.6	-179.3	-59.9	171.6	0	0	0	113.4	L42 P43 L46 R47 N51 M52 Y57 L175 I179 L183	L42-L49 HydrophobicContact CD2-CD1 3.94Å; P43-L49 HydrophobicContact CG-CD1 4.16Å; P43-L49 HydrophobicContact CG-CD2 3.83Å; P43-L49 HydrophobicContact CG-CG 3.77Å; L46-L49 HydrophobicContact CD2-CD1 3.97Å; L46-L49 VanDerWaalsContact O-CB 3.26Å; L46-L49 WeakPolarHBondContact O-CB 3.49Å; L46-L49 WeakPolarHBondContact O-CG 3.43Å; L46-L49 PolarHBondContact O-N 2.87Å; R47-L49 PolarHBondContact O-N 3.3Å; L49-N51 PolarHBondContact O-N 3.11Å; L49-M52 HydrophobicContact CD2-SD 4.19Å; L49-M52 PolarHBondContact O-N 3.2Å; L49-Y57 HydrophobicContact CD2-CD2 3.69Å; L49-Y57 HydrophobicContact CD2-CE2 4.17Å; L49-L175 HydrophobicContact CB-CD2 3.54Å; L49-I179 HydrophobicContact CB-CG2 4.29Å; L49-L183 HydrophobicContact CD1-CD1 4.12Å
50	E	90.9	Very high	91.6	Very high	60 Å²	60	50.5 Å²	50.5	28%	0.28	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-62.6	-33	-178.4	-65.2	-173.1	149.2	0	0	112.6	R47 I48 L173 N174 L175	R47-E50 WeakPolarHBondContact O-CB 3.38Å; R47-E50 PolarHBondContact O-N 2.94Å; R47-E50 VanDerWaalsContact O-N 3.15Å; I48-E50 PolarHBondContact O-N 2.72Å; E50-L173 HydrophobicContact CG-CB 4.21Å; E50-N174 PolarHBondContact OE1-N 3.08Å; E50-L175 HydrophobicContact CG-CD2 4.27Å
51	N	89.5	Confident	91.8	Very high	153 Å²	153	51.6 Å²	51.6	82%	0.818	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-113.6	9.6	-175.7	-60.4	-62.1	0	0	0	113.2	I48 L49	I48-N51 PolarHBondContact O-N 3.27Å; L49-N51 PolarHBondContact O-N 3.11Å
52	M	93.1	Very high	92	Very high	16 Å²	16	51.2 Å²	51.2	8%	0.079	27%	0.266	C	S	.	.			trans	-92	142.8	-175.3	-171.7	164.6	-83.8	0	0	111.1	I48 L49 D56 Y57 F61 I179	I48-M52 HydrophobicContact CG2-CE 3.55Å; L49-M52 HydrophobicContact CD2-SD 4.19Å; L49-M52 PolarHBondContact O-N 3.2Å; M52-D56 HydrophobicContact CG-CB 3.85Å; M52-Y57 WeakPolarHBondContact SD-CA 3.43Å; M52-Y57 HydrophobicContact SD-CD2 4.39Å; M52-F61 HydrophobicContact CE-CE2 3.98Å; M52-F61 HydrophobicContact SD-CD2 4.28Å; M52-F61 HydrophobicContact SD-CE2 3.88Å; M52-I179 WeakPolarHBondContact O-CG1 3.47Å
53	S	93.4	Very high	92.2	Very high	44 Å²	44	53 Å²	53	31%	0.308	27%	0.273	S	S	.	.			trans	-83	157	166.8	77.1	0	0	0	0	110.4	I55 D56 Y57	S53-I55 PolarHBondContact O-N 2.75Å; S53-I55 VanDerWaalsContact OG-CG2 3.26Å; S53-I55 WeakPolarHBondContact OG-CG2 3.36Å; S53-D56 PolarHBondContact O-N 3.06Å; S53-D56 VanDerWaalsContact O-N 3.14Å; S53-D56 WeakPolarHBondContact OG-CB 3.44Å; S53-D56 PolarHBondContact OG-N 3.37Å; S53-D56 PolarHBondContact OG-OD2 3.47Å; S53-Y57 PolarHBondContact O-N 3.35Å
54	V	94.7	Very high	92.3	Very high	3 Å²	3	54.6 Å²	54.6	2%	0.018	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-37.5	179.4	-176.5	0	0	0	0	111.6	Y57 L58 I114 N178 I179 F182	V54-Y57 WeakPolarHBondContact O-CB 3.47Å; V54-Y57 PolarHBondContact O-N 3.05Å; V54-L58 HydrophobicContact CG1-CD1 4.14Å; V54-L58 HydrophobicContact CG1-CG 4.4Å; V54-L58 VanDerWaalsContact O-CG 3.28Å; V54-L58 WeakPolarHBondContact O-CG 3.43Å; V54-L58 PolarHBondContact O-N 3.17Å; V54-I114 HydrophobicContact CB-CB 4.22Å; V54-I114 HydrophobicContact CG1-CB 3.81Å; V54-I114 HydrophobicContact CG1-CG2 3.75Å; V54-N178 HydrophobicContact CG2-CB 3.87Å; V54-I179 HydrophobicContact CB-CD1 4.31Å; V54-I179 HydrophobicContact CG2-CD1 4.01Å; V54-I179 HydrophobicContact CG2-CG1 4.26Å; V54-F182 HydrophobicContact CG1-CB 3.87Å; V54-F182 HydrophobicContact CG1-CD1 3.56Å; V54-F182 HydrophobicContact CG1-CD2 3.72Å; V54-F182 HydrophobicContact CG1-CE1 4.02Å; V54-F182 HydrophobicContact CG1-CE2 4.21Å; V54-F182 HydrophobicContact CG1-CG 3.4Å; V54-F182 HydrophobicContact CG1-CZ 4.37Å; V54-F182 HydrophobicContact CG2-CB 4.04Å; V54-F182 HydrophobicContact CG2-CG 4.49Å
55	I	94.3	Very high	92.4	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.041	24%	0.239	C	C	.	.	H	α-helix	trans	-67.2	-38.1	177.4	-167.9	63.4	0	0	0	112.1	S53 Y57 L58 R59 I114 L116 T128 C131	S53-I55 PolarHBondContact O-N 2.75Å; S53-I55 VanDerWaalsContact OG-CG2 3.26Å; S53-I55 WeakPolarHBondContact OG-CG2 3.36Å; I55-Y57 VanDerWaalsContact C-N 3.33Å; I55-L58 PolarHBondContact O-N 3.14Å; I55-R59 WeakPolarHBondContact O-CG 3.28Å; I55-R59 PolarHBondContact O-N 3.41Å; I55-I114 HydrophobicContact CD1-CD1 4.32Å; I55-L116 HydrophobicContact CB-CD2 4.22Å; I55-L116 HydrophobicContact CD1-CD1 4.47Å; I55-L116 HydrophobicContact CG2-CD2 4.16Å; I55-T128 HydrophobicContact CD1-CG2 4.22Å; I55-C131 HydrophobicContact CD1-CB 3.57Å
56	D	94.8	Very high	92.4	Very high	63 Å²	63	50.2 Å²	50.2	34%	0.337	26%	0.255	S	S	.	.	H	α-helix	trans	-68.5	-35.5	176.3	-63.2	-38.5	0	0	0	111.7	M52 S53 R59 Q60	M52-D56 HydrophobicContact CG-CB 3.85Å; S53-D56 PolarHBondContact O-N 3.06Å; S53-D56 VanDerWaalsContact O-N 3.14Å; S53-D56 WeakPolarHBondContact OG-CB 3.44Å; S53-D56 PolarHBondContact OG-N 3.37Å; S53-D56 PolarHBondContact OG-OD2 3.47Å; D56-R59 IonicContact OD1-NH1 3.82Å; D56-Q60 WeakPolarHBondContact O-CG 3.45Å; D56-Q60 PolarHBondContact O-N 2.88Å; D56-Q60 PolarHBondContact O-NE2 2.79Å
57	Y	94.9	Very high	92.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-50	170.5	169.5	-95.9	0	0	0	110.8	F40 S41 L42 L49 M52 S53 V54 I55 R59 Q60 F61 I179 F182 L183 I186	F40-Y57 HydrophobicContact CD1-CE1 4.26Å; S41-Y57 WeakPolarHBondContact O-CE2 3.48Å; S41-Y57 PolarHBondContact O-OH 3.22Å; L42-Y57 HydrophobicContact CD2-CE2 4.1Å; L49-Y57 HydrophobicContact CD2-CD2 3.69Å; L49-Y57 HydrophobicContact CD2-CE2 4.17Å; M52-Y57 WeakPolarHBondContact SD-CA 3.43Å; M52-Y57 HydrophobicContact SD-CD2 4.39Å; S53-Y57 PolarHBondContact O-N 3.35Å; V54-Y57 WeakPolarHBondContact O-CB 3.47Å; V54-Y57 PolarHBondContact O-N 3.05Å; I55-Y57 VanDerWaalsContact C-N 3.33Å; Y57-R59 VanDerWaalsContact C-N 3.34Å; Y57-R59 PolarHBondContact O-N 3.31Å; Y57-Q60 PolarHBondContact O-N 3.41Å; Y57-F61 HydrophobicContact CD2-CB 4.01Å; Y57-F61 AromaticContact CD2-CD2 3.5Å; Y57-F61 HydrophobicContact CD2-CD2 3.5Å; Y57-F61 HydrophobicContact CD2-CE2 4.4Å; Y57-F61 HydrophobicContact CD2-CG 4.12Å; Y57-F61 HydrophobicContact CE2-CB 3.63Å; Y57-F61 AromaticContact CE2-CD2 3.84Å; Y57-F61 HydrophobicContact CE2-CD2 3.84Å; Y57-F61 AromaticContact CE2-CG 3.99Å; Y57-F61 HydrophobicContact CE2-CG 3.99Å; Y57-F61 HydrophobicContact CG-CD2 4.3Å; Y57-F61 WeakPolarHBondContact O-CA 3.45Å; Y57-F61 WeakPolarHBondContact O-CB 3.29Å; Y57-F61 WeakPolarHBondContact O-CD2 3.26Å; Y57-F61 PolarHBondContact O-N 3.46Å; Y57-I179 HydrophobicContact CG-CD1 4.22Å; Y57-F182 HydrophobicContact CD1-CD1 4.02Å; Y57-F182 AromaticContact CD1-CE1 3.82Å; Y57-F182 HydrophobicContact CD1-CE1 3.82Å; Y57-F182 HydrophobicContact CE1-CD1 4.12Å; Y57-F182 AromaticContact CE1-CE1 3.76Å; Y57-F182 HydrophobicContact CE1-CE1 3.76Å; Y57-L183 HydrophobicContact CE1-CD2 4.1Å; Y57-L183 HydrophobicContact CE2-CD2 4.07Å; Y57-I186 HydrophobicContact CE1-CD1 4.16Å
58	L	95.4	Very high	92.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-59.8	-44.1	179.9	-74	170.8	0	0	0	112	F40 V54 I55 Q60 A62 I114 C131 T135 F182	F40-L58 HydrophobicContact CD1-CD2 4.27Å; F40-L58 HydrophobicContact CE1-CD2 3.56Å; F40-L58 HydrophobicContact CZ-CD2 4.49Å; V54-L58 HydrophobicContact CG1-CD1 4.14Å; V54-L58 HydrophobicContact CG1-CG 4.4Å; V54-L58 VanDerWaalsContact O-CG 3.28Å; V54-L58 WeakPolarHBondContact O-CG 3.43Å; V54-L58 PolarHBondContact O-N 3.17Å; I55-L58 PolarHBondContact O-N 3.14Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.22Å; L58-A62 HydrophobicContact CB-CB 4.47Å; L58-A62 HydrophobicContact CD2-CB 3.96Å; L58-A62 WeakPolarHBondContact O-CA 3.07Å; L58-A62 WeakPolarHBondContact O-CB 3.43Å; L58-A62 PolarHBondContact O-N 3.29Å; L58-I114 HydrophobicContact CD1-CB 4.29Å; L58-I114 HydrophobicContact CD1-CG2 3.61Å; L58-C131 HydrophobicContact CB-CB 3.82Å; L58-C131 HydrophobicContact CD1-CB 4.03Å; L58-C131 HydrophobicContact CG-CB 4.5Å; L58-T135 WeakPolarHBondContact CD1-OG1 3.45Å; L58-F182 HydrophobicContact CD1-CZ 4.32Å; L58-F182 HydrophobicContact CD2-CE1 3.73Å; L58-F182 HydrophobicContact CD2-CZ 3.61Å; L58-F182 HydrophobicContact CG-CE1 4.17Å; L58-F182 HydrophobicContact CG-CZ 4.22Å
59	R	95.4	Very high	92.3	Very high	80 Å²	80	45.7 Å²	45.7	30%	0.302	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-36	178.6	-74.1	-179.1	178	144.2	-3.5	113.2	I55 D56 Y57 E127 T128	I55-R59 WeakPolarHBondContact O-CG 3.28Å; I55-R59 PolarHBondContact O-N 3.41Å; D56-R59 IonicContact OD1-NH1 3.82Å; Y57-R59 VanDerWaalsContact C-N 3.34Å; Y57-R59 PolarHBondContact O-N 3.31Å; R59-E127 WeakPolarHBondContact CB-OE1 3.5Å; R59-E127 WeakPolarHBondContact CD-OE1 3.1Å; R59-E127 HydrophobicContact CG-CG 4.07Å; R59-E127 WeakPolarHBondContact CG-OE1 3.46Å; R59-T128 PolarHBondContact NH2-OG1 3.26Å
60	Q	94.8	Very high	92.2	Very high	109 Å²	109	49.9 Å²	49.9	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-92	-30.2	-175.6	-70.2	179.8	61.7	0	0	113.6	D56 Y57 L58	D56-Q60 WeakPolarHBondContact O-CG 3.45Å; D56-Q60 PolarHBondContact O-N 2.88Å; D56-Q60 PolarHBondContact O-NE2 2.79Å; Y57-Q60 PolarHBondContact O-N 3.41Å; L58-Q60 VanDerWaalsContact C-N 3.27Å; L58-Q60 PolarHBondContact O-N 3.22Å
61	F	93.1	Very high	92.2	Very high	28 Å²	28	49.2 Å²	49.2	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-129.1	0.3	-166	-55.6	-68.6	0	0	0	114.4	F40 S41 P43 M52 Y57 H63	F40-F61 CarbonylContact C-O 3.46Å; F40-F61 WeakPolarHBondContact CA-O 3.28Å; S41-F61 PolarHBondContact N-O 2.98Å; S41-F61 WeakPolarHBondContact O-CB 3.15Å; S41-F61 PolarHBondContact OG-O 3.5Å; P43-F61 HydrophobicContact CB-CE1 3.8Å; P43-F61 HydrophobicContact CB-CE2 4.24Å; P43-F61 HydrophobicContact CB-CZ 3.54Å; P43-F61 HydrophobicContact CG-CE1 4.45Å; P43-F61 HydrophobicContact CG-CE2 4.25Å; P43-F61 HydrophobicContact CG-CZ 4.04Å; M52-F61 HydrophobicContact CE-CE2 3.98Å; M52-F61 HydrophobicContact SD-CD2 4.28Å; M52-F61 HydrophobicContact SD-CE2 3.88Å; Y57-F61 HydrophobicContact CD2-CB 4.01Å; Y57-F61 AromaticContact CD2-CD2 3.5Å; Y57-F61 HydrophobicContact CD2-CD2 3.5Å; Y57-F61 HydrophobicContact CD2-CE2 4.4Å; Y57-F61 HydrophobicContact CD2-CG 4.12Å; Y57-F61 HydrophobicContact CE2-CB 3.63Å; Y57-F61 AromaticContact CE2-CD2 3.84Å; Y57-F61 HydrophobicContact CE2-CD2 3.84Å; Y57-F61 AromaticContact CE2-CG 3.99Å; Y57-F61 HydrophobicContact CE2-CG 3.99Å; Y57-F61 HydrophobicContact CG-CD2 4.3Å; Y57-F61 WeakPolarHBondContact O-CA 3.45Å; Y57-F61 WeakPolarHBondContact O-CB 3.29Å; Y57-F61 WeakPolarHBondContact O-CD2 3.26Å; Y57-F61 PolarHBondContact O-N 3.46Å; F61-H63 PolarHBondContact O-CD2 2.96Å
62	A	92.9	Very high	92.4	Very high	19 Å²	19	42 Å²	42	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.2	162.6	0	0	0	0	0	109.4	F40 L58 V134	F40-A62 HydrophobicContact CD1-CB 3.84Å; F40-A62 HydrophobicContact CE1-CB 3.81Å; L58-A62 HydrophobicContact CB-CB 4.47Å; L58-A62 HydrophobicContact CD2-CB 3.96Å; L58-A62 WeakPolarHBondContact O-CA 3.07Å; L58-A62 WeakPolarHBondContact O-CB 3.43Å; L58-A62 PolarHBondContact O-N 3.29Å; A62-V134 HydrophobicContact CB-CG1 4.26Å
63	H	92	Very high	92.5	Very high	62 Å²	62	46.6 Å²	46.6	29%	0.287	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.1	-176.6	-60.1	-78.1	0	0	0	110.1	F38 W39 S41 F61	F38-H63 CarbonylContact C-O 3.57Å; F38-H63 WeakPolarHBondContact CA-O 3.44Å; F38-H63 WeakPolarHBondContact CB-O 3.46Å; W39-H63 AromaticContact CD1-CD2 3.77Å; W39-H63 HydrophobicContact CD2-CB 3.6Å; W39-H63 AromaticContact CE2-CD2 3.91Å; W39-H63 AromaticContact CE2-CG 3.66Å; W39-H63 HydrophobicContact CE3-CB 3.99Å; W39-H63 HydrophobicContact CG-CB 4.18Å; W39-H63 HydrophobicContact CH2-CB 3.77Å; W39-H63 HydrophobicContact CZ2-CB 3.36Å; W39-H63 AromaticContact CZ2-CG 3.81Å; W39-H63 HydrophobicContact CZ3-CB 4.06Å; W39-H63 PolarHBondContact N-O 2.93Å; W39-H63 AromaticContact NE1-CD2 3.34Å; W39-H63 PolarHBondContact NE1-CD2 3.32Å; W39-H63 VanDerWaalsContact NE1-CD2 3.34Å; W39-H63 AromaticContact NE1-CG 3.58Å; W39-H63 PolarHBondContact O-N 3.5Å; S41-H63 PolarHBondContact OG-NE2 2.99Å; F61-H63 PolarHBondContact O-CD2 2.96Å
64	L	90.8	Very high	92.5	Very high	45 Å²	45	51.2 Å²	51.2	24%	0.236	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.1	176.2	-70.5	162.3	0	0	0	109	F38 K68 H69 Y72 C130 V134	F38-L64 HydrophobicContact CB-CD2 3.86Å; L64-K68 HydrophobicContact CD2-CB 4Å; L64-K68 HydrophobicContact CD2-CG 3.48Å; L64-K68 VanDerWaalsContact CD2-CG 3.48Å; L64-H69 HydrophobicContact CB-CB 4.09Å; L64-Y72 HydrophobicContact CD1-CD2 4.06Å; L64-Y72 HydrophobicContact CD1-CE2 4.24Å; L64-Y72 HydrophobicContact CD2-CD2 3.94Å; L64-Y72 HydrophobicContact CD2-CE2 3.46Å; L64-Y72 VanDerWaalsContact CD2-CE2 3.46Å; L64-C130 HydrophobicContact CD1-CB 3.8Å; L64-V134 HydrophobicContact CD2-CG2 3.69Å; L64-V134 HydrophobicContact CG-CG2 4.37Å
65	S	88.9	Confident	92.4	Very high	12 Å²	12	51.6 Å²	51.6	8%	0.084	25%	0.245	C	C	.	.			trans	-61	153.8	160.8	61	0	0	0	0	110.5	Q35 S37 R67 K68 H69	Q35-S65 WeakPolarHBondContact O-CB 3.45Å; Q35-S65 PolarHBondContact O-OG 2.62Å; Q35-S65 VanDerWaalsContact O-OG 3.09Å; S37-S65 PolarHBondContact N-OG 3.28Å; S37-S65 WeakPolarHBondContact O-CB 3.45Å; S37-S65 PolarHBondContact O-N 3.18Å; S37-S65 PolarHBondContact O-OG 2.93Å; S65-R67 PolarHBondContact O-N 3.14Å; S65-K68 PolarHBondContact O-N 3.29Å; S65-K68 VanDerWaalsContact O-N 3.09Å; S65-K68 VanDerWaalsContact OG-CB 3.28Å; S65-K68 WeakPolarHBondContact OG-CB 3.47Å; S65-K68 PolarHBondContact OG-N 3.2Å; S65-H69 WeakPolarHBondContact O-CB 3.43Å; S65-H69 PolarHBondContact O-N 2.91Å
66	S	89.1	Confident	92.5	Very high	95 Å²	95	51.7 Å²	51.7	66%	0.664	25%	0.245	S	C	*	.	H	α-helix	trans	-53.6	-41.5	178.4	-51	0	0	0	0	111.9	H69 D70	S66-H69 PolarHBondContact O-N 3.29Å; S66-D70 WeakPolarHBondContact O-CB 3.27Å; S66-D70 PolarHBondContact O-N 2.91Å
67	R	85.2	Confident	92.4	Very high	84 Å²	84	53.7 Å²	53.7	32%	0.317	26%	0.256	S	S	.	.	H	α-helix	trans	-66.1	-41.7	179.2	-174.8	170.6	163.4	79.2	16.2	112.4	D27 H29 D36 S65 D70 L71	D27-R67 IonicContact OD1-NH2 3.83Å; D27-R67 PolarHBondContact OD1-NH2 2.97Å; D27-R67 IonicContact OD2-CZ 2.87Å; D27-R67 IonicContact OD2-NH1 3.27Å; D27-R67 IonicContact OD2-NH2 3.93Å; D27-R67 PolarHBondContact OD2-NH2 2.91Å; H29-R67 VanDerWaalsContact CB-NH2 3.33Å; H29-R67 PolarHBondContact CD2-NH2 3.09Å; D36-R67 VanDerWaalsContact CG-CD 3.45Å; D36-R67 VanDerWaalsContact OD1-CD 3.3Å; D36-R67 WeakPolarHBondContact OD1-CD 3.37Å; D36-R67 IonicContact OD1-NE 3.78Å; D36-R67 VanDerWaalsContact OD2-CD 3.27Å; D36-R67 WeakPolarHBondContact OD2-CD 3.47Å; D36-R67 IonicContact OD2-CZ 3.63Å; D36-R67 IonicContact OD2-NE 3.4Å; D36-R67 PolarHBondContact OD2-NE 3.35Å; S65-R67 PolarHBondContact O-N 3.14Å; R67-D70 PolarHBondContact O-N 3.47Å; R67-L71 PolarHBondContact O-N 3.09Å
68	K	89.4	Confident	92.4	Very high	22 Å²	22	59.9 Å²	59.9	10%	0.096	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-42.6	176.7	-166.4	59.6	152.6	176.3	0	111.6	L64 S65 D70 L71 Y72 E137	L64-K68 HydrophobicContact CD2-CB 4Å; L64-K68 HydrophobicContact CD2-CG 3.48Å; L64-K68 VanDerWaalsContact CD2-CG 3.48Å; S65-K68 PolarHBondContact O-N 3.29Å; S65-K68 VanDerWaalsContact O-N 3.09Å; S65-K68 VanDerWaalsContact OG-CB 3.28Å; S65-K68 WeakPolarHBondContact OG-CB 3.47Å; S65-K68 PolarHBondContact OG-N 3.2Å; K68-D70 VanDerWaalsContact C-N 3.34Å; K68-D70 PolarHBondContact O-N 3.31Å; K68-L71 HydrophobicContact CD-CD2 4.27Å; K68-L71 WeakPolarHBondContact O-CB 3.3Å; K68-L71 PolarHBondContact O-N 2.75Å; K68-Y72 HydrophobicContact CD-CE1 3.98Å; K68-Y72 WeakPolarHBondContact CE-OH 3.07Å; K68-Y72 HydrophobicContact CG-CE1 4.34Å; K68-Y72 HydrophobicContact CG-CE2 4.16Å; K68-Y72 PolarHBondContact O-N 3.34Å; K68-E137 WeakPolarHBondContact CE-OE1 3.49Å; K68-E137 VanDerWaalsContact CE-OE2 3.23Å; K68-E137 WeakPolarHBondContact CE-OE2 3.39Å; K68-E137 IonicContact NZ-OE1 2.82Å; K68-E137 PolarHBondContact NZ-OE1 3.34Å; K68-E137 IonicContact NZ-OE2 3.02Å; K68-E137 PolarHBondContact NZ-OE2 2.97Å
69	H	93.1	Very high	92.3	Very high	56 Å²	56	62.5 Å²	62.5	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-42.8	174	171	-82.4	0	0	0	111.8	L64 S65 S66 Y72 R73 F126	L64-H69 HydrophobicContact CB-CB 4.09Å; S65-H69 WeakPolarHBondContact O-CB 3.43Å; S65-H69 PolarHBondContact O-N 2.91Å; S66-H69 PolarHBondContact O-N 3.29Å; H69-Y72 PolarHBondContact O-N 2.79Å; H69-R73 VanDerWaalsContact CE1-CZ 3.48Å; H69-R73 PolarHBondContact CE1-NE 3.34Å; H69-R73 PolarHBondContact CE1-NH2 2.8Å; H69-R73 PolarHBondContact NE2-NH2 3.36Å; H69-R73 VanDerWaalsContact O-CB 3.31Å; H69-R73 WeakPolarHBondContact O-CB 3.19Å; H69-R73 PolarHBondContact O-N 2.94Å; H69-F126 AromaticContact CD2-CE1 3.87Å; H69-F126 AromaticContact NE2-CE1 3.45Å; H69-F126 WeakPolarHBondContact NE2-CE1 3.44Å; H69-F126 AromaticContact NE2-CZ 3.95Å
70	D	90.8	Very high	92.1	Very high	87 Å²	87	59.8 Å²	59.8	47%	0.465	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-37.9	177	-70.6	-16.6	0	0	0	112.6	S66 R67 K68 R73 R74	S66-D70 WeakPolarHBondContact O-CB 3.27Å; S66-D70 PolarHBondContact O-N 2.91Å; R67-D70 PolarHBondContact O-N 3.47Å; K68-D70 VanDerWaalsContact C-N 3.34Å; K68-D70 PolarHBondContact O-N 3.31Å; D70-R73 PolarHBondContact O-N 3.15Å; D70-R74 WeakPolarHBondContact O-CG 3.04Å; D70-R74 PolarHBondContact O-N 2.86Å
71	L	90.6	Very high	91.5	Very high	47 Å²	47	61 Å²	61	25%	0.246	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-54.9	171.4	175.2	64.1	0	0	0	110.9	R67 K68 R73 R74 I75	R67-L71 PolarHBondContact O-N 3.09Å; K68-L71 HydrophobicContact CD-CD2 4.27Å; K68-L71 WeakPolarHBondContact O-CB 3.3Å; K68-L71 PolarHBondContact O-N 2.75Å; L71-R73 VanDerWaalsContact C-N 3.25Å; L71-R73 PolarHBondContact O-N 2.84Å; L71-R74 PolarHBondContact O-N 2.71Å; L71-R74 VanDerWaalsContact O-N 3.12Å; L71-I75 HydrophobicContact CD1-CD1 3.97Å; L71-I75 HydrophobicContact CD1-CG1 4.39Å; L71-I75 HydrophobicContact CG-CD1 4.05Å; L71-I75 WeakPolarHBondContact O-CG1 3.35Å; L71-I75 PolarHBondContact O-N 3.22Å
72	Y	94.5	Very high	90.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.6	-38.5	178.5	-69.8	-10.6	0	0	0	111.9	L64 K68 H69 R74 I75 Y76 I97 F129 C130 C133 V134 E137	L64-Y72 HydrophobicContact CD1-CD2 4.06Å; L64-Y72 HydrophobicContact CD1-CE2 4.24Å; L64-Y72 HydrophobicContact CD2-CD2 3.94Å; L64-Y72 HydrophobicContact CD2-CE2 3.46Å; L64-Y72 VanDerWaalsContact CD2-CE2 3.46Å; K68-Y72 HydrophobicContact CD-CE1 3.98Å; K68-Y72 WeakPolarHBondContact CE-OH 3.07Å; K68-Y72 HydrophobicContact CG-CE1 4.34Å; K68-Y72 HydrophobicContact CG-CE2 4.16Å; K68-Y72 PolarHBondContact O-N 3.34Å; H69-Y72 PolarHBondContact O-N 2.79Å; Y72-R74 PolarHBondContact O-N 2.95Å; Y72-I75 PolarHBondContact O-N 3.16Å; Y72-Y76 WeakPolarHBondContact O-CB 3.39Å; Y72-Y76 PolarHBondContact O-N 2.81Å; Y72-I97 HydrophobicContact CE1-CD1 4.26Å; Y72-F129 WeakPolarHBondContact O-CE1 3.38Å; Y72-C130 HydrophobicContact CD2-CB 4.19Å; Y72-C133 HydrophobicContact CD1-CB 4.2Å; Y72-C133 HydrophobicContact CD2-CB 4.18Å; Y72-C133 HydrophobicContact CE1-CB 3.67Å; Y72-C133 HydrophobicContact CE2-CB 3.63Å; Y72-C133 HydrophobicContact CG-CB 4.43Å; Y72-V134 HydrophobicContact CE2-CG2 3.99Å; Y72-V134 PolarHBondContact OH-N 3.01Å; Y72-E137 WeakPolarHBondContact CE1-OE1 3.01Å; Y72-E137 PolarHBondContact OH-OE1 3.2Å
73	R	94.3	Very high	90.5	Very high	114 Å²	114	67.1 Å²	67.1	43%	0.43	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-42.8	176.4	-175.3	173.3	-69.9	-145.2	-4.8	112	H69 D70 L71 N77 F126	H69-R73 VanDerWaalsContact CE1-CZ 3.48Å; H69-R73 PolarHBondContact CE1-NE 3.34Å; H69-R73 PolarHBondContact CE1-NH2 2.8Å; H69-R73 PolarHBondContact NE2-NH2 3.36Å; H69-R73 VanDerWaalsContact O-CB 3.31Å; H69-R73 WeakPolarHBondContact O-CB 3.19Å; H69-R73 PolarHBondContact O-N 2.94Å; D70-R73 PolarHBondContact O-N 3.15Å; L71-R73 VanDerWaalsContact C-N 3.25Å; L71-R73 PolarHBondContact O-N 2.84Å; R73-N77 WeakPolarHBondContact O-CB 3.4Å; R73-N77 PolarHBondContact O-N 3.41Å; R73-N77 PolarHBondContact O-ND2 3.33Å; R73-F126 VanDerWaalsContact CA-CE2 3.41Å; R73-F126 HydrophobicContact CB-CE2 3.88Å; R73-F126 HydrophobicContact CB-CZ 3.74Å; R73-F126 HydrophobicContact CG-CE2 4.49Å; R73-F126 HydrophobicContact CG-CZ 4.38Å
74	R	93.1	Very high	90.4	Very high	141 Å²	141	68.9 Å²	68.9	53%	0.532	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-48.3	176.1	-73.2	-175.1	-64.5	175.3	1.4	111.5	D27 D70 L71 Y72 N77 H78	D27-R74 IonicContact OD2-NH2 2.72Å; D70-R74 WeakPolarHBondContact O-CG 3.04Å; D70-R74 PolarHBondContact O-N 2.86Å; L71-R74 PolarHBondContact O-N 2.71Å; L71-R74 VanDerWaalsContact O-N 3.12Å; Y72-R74 PolarHBondContact O-N 2.95Å; R74-N77 PolarHBondContact O-N 3.05Å; R74-H78 WeakPolarHBondContact O-CB 3.3Å; R74-H78 PolarHBondContact O-N 3.3Å
75	I	93.9	Very high	90.5	Very high	10 Å²	10	66.8 Å²	66.8	5%	0.051	35%	0.345	C	S	.	.	H	α-helix	trans	-63.2	-46.5	179.1	-63.2	172.6	0	0	0	110.5	L71 Y72 N77 H78 W79 A93 D96 I97 F129	L71-I75 HydrophobicContact CD1-CD1 3.97Å; L71-I75 HydrophobicContact CD1-CG1 4.39Å; L71-I75 HydrophobicContact CG-CD1 4.05Å; L71-I75 WeakPolarHBondContact O-CG1 3.35Å; L71-I75 PolarHBondContact O-N 3.22Å; Y72-I75 PolarHBondContact O-N 3.16Å; I75-N77 PolarHBondContact O-N 3.09Å; I75-H78 WeakPolarHBondContact O-CB 3.5Å; I75-H78 PolarHBondContact O-N 2.88Å; I75-H78 VanDerWaalsContact O-N 3.12Å; I75-W79 PolarHBondContact O-N 3.26Å; I75-W79 VanDerWaalsContact O-N 3.14Å; I75-A93 HydrophobicContact CG2-CB 3.9Å; I75-A93 WeakPolarHBondContact CG2-O 3.39Å; I75-D96 HydrophobicContact CD1-CB 4.07Å; I75-D96 HydrophobicContact CG1-CB 4.1Å; I75-D96 HydrophobicContact CG2-CB 4.18Å; I75-I97 HydrophobicContact CD1-CG1 3.58Å; I75-F129 HydrophobicContact CB-CZ 4.39Å; I75-F129 HydrophobicContact CG2-CZ 3.87Å
76	Y	95.1	Very high	90.8	Very high	11 Å²	11	66.8 Å²	66.8	4%	0.043	35%	0.346	C	S	.	.	H	α-helix	trans	-56.6	-49.6	177.4	-176	-100.6	0	0	0	111.4	Y72 H78 W79 C80 S83 K84 L85 I124 D125 F126 F129	Y72-Y76 WeakPolarHBondContact O-CB 3.39Å; Y72-Y76 PolarHBondContact O-N 2.81Å; Y76-H78 VanDerWaalsContact C-N 3.27Å; Y76-H78 PolarHBondContact O-N 2.95Å; Y76-W79 PolarHBondContact O-N 2.93Å; Y76-C80 WeakPolarHBondContact CD1-SG 3.44Å; Y76-C80 WeakPolarHBondContact CE1-SG 3.22Å; Y76-C80 VanDerWaalsContact O-CB 3.27Å; Y76-C80 WeakPolarHBondContact O-CB 3.15Å; Y76-C80 PolarHBondContact O-N 3.35Å; Y76-C80 PolarHBondContact O-SG 3.15Å; Y76-S83 PolarHBondContact OH-O 3.35Å; Y76-K84 WeakPolarHBondContact OH-CA 3.12Å; Y76-L85 HydrophobicContact CD2-CB 3.98Å; Y76-L85 HydrophobicContact CD2-CD1 4.02Å; Y76-L85 HydrophobicContact CE2-CB 3.52Å; Y76-L85 HydrophobicContact CE2-CD1 4.42Å; Y76-I124 PolarHBondContact OH-O 3.5Å; Y76-D125 VanDerWaalsContact OH-CA 3.24Å; Y76-D125 WeakPolarHBondContact OH-CA 3.26Å; Y76-F126 HydrophobicContact CD1-CB 4.03Å; Y76-F126 AromaticContact CD1-CD2 3.78Å; Y76-F126 HydrophobicContact CD1-CD2 3.78Å; Y76-F126 HydrophobicContact CD1-CG 4.29Å; Y76-F126 HydrophobicContact CD2-CD2 4.12Å; Y76-F126 HydrophobicContact CE1-CB 3.76Å; Y76-F126 HydrophobicContact CE1-CD2 4.38Å; Y76-F126 HydrophobicContact CE1-CG 4.5Å; Y76-F126 HydrophobicContact CE2-CB 4.32Å; Y76-F126 HydrophobicContact CG-CB 4.41Å; Y76-F126 AromaticContact CG-CD2 3.62Å; Y76-F126 HydrophobicContact CG-CD2 3.62Å; Y76-F126 HydrophobicContact CG-CE2 4.46Å; Y76-F126 HydrophobicContact CG-CG 4.48Å; Y76-F126 VanDerWaalsContact CZ-N 3.35Å; Y76-F126 PolarHBondContact OH-N 2.97Å; Y76-F126 VanDerWaalsContact OH-N 3.16Å; Y76-F129 HydrophobicContact CD2-CB 3.63Å; Y76-F129 AromaticContact CD2-CD1 3.68Å; Y76-F129 HydrophobicContact CD2-CD1 3.68Å; Y76-F129 HydrophobicContact CD2-CD2 4.13Å; Y76-F129 HydrophobicContact CD2-CE1 4.35Å; Y76-F129 AromaticContact CD2-CG 3.54Å; Y76-F129 HydrophobicContact CD2-CG 3.54Å; Y76-F129 HydrophobicContact CE2-CB 3.82Å; Y76-F129 HydrophobicContact CE2-CG 4.21Å; Y76-F129 HydrophobicContact CG-CD1 4.19Å; Y76-F129 HydrophobicContact CG-CG 4.48Å
77	N	93.7	Very high	90.9	Very high	105 Å²	105	62.8 Å²	62.8	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-64.7	-31.2	178.5	-71	-16.3	0	0	0	112.7	R73 R74 I75	R73-N77 WeakPolarHBondContact O-CB 3.4Å; R73-N77 PolarHBondContact O-N 3.41Å; R73-N77 PolarHBondContact O-ND2 3.33Å; R74-N77 PolarHBondContact O-N 3.05Å; I75-N77 PolarHBondContact O-N 3.09Å
78	H	93.9	Very high	91.2	Very high	129 Å²	129	64.3 Å²	64.3	60%	0.597	33%	0.331	S	S	*	.	H	α-helix	trans	-65.4	-40.8	176.3	-177.7	54.6	0	0	0	112.2	R74 I75 Y76 D96	R74-H78 WeakPolarHBondContact O-CB 3.3Å; R74-H78 PolarHBondContact O-N 3.3Å; I75-H78 WeakPolarHBondContact O-CB 3.5Å; I75-H78 PolarHBondContact O-N 2.88Å; I75-H78 VanDerWaalsContact O-N 3.12Å; Y76-H78 VanDerWaalsContact C-N 3.27Å; Y76-H78 PolarHBondContact O-N 2.95Å; H78-D96 IonicContact CD2-OD2 3.4Å
79	W	94.7	Very high	91.4	Very high	56 Å²	56	66.6 Å²	66.6	21%	0.212	34%	0.341	C	S	.	.	H	α-helix	trans	-96.9	-9.9	-176	-69.2	103.4	0	0	0	114.9	I75 Y76 L85 K89 N92 A93 D96	I75-W79 PolarHBondContact O-N 3.26Å; I75-W79 VanDerWaalsContact O-N 3.14Å; Y76-W79 PolarHBondContact O-N 2.93Å; W79-L85 HydrophobicContact CB-CD1 3.76Å; W79-L85 HydrophobicContact CB-CG 4.49Å; W79-K89 HydrophobicContact CB-CB 4.32Å; W79-K89 HydrophobicContact CE3-CB 4.1Å; W79-K89 HydrophobicContact CE3-CD 3.98Å; W79-K89 HydrophobicContact CE3-CG 4.29Å; W79-K89 HydrophobicContact CZ3-CD 4.22Å; W79-N92 HydrophobicContact CD2-CB 4.19Å; W79-N92 HydrophobicContact CE3-CB 4.14Å; W79-N92 HydrophobicContact CH2-CB 3.36Å; W79-N92 HydrophobicContact CZ2-CB 3.4Å; W79-N92 VanDerWaalsContact CZ2-CB 3.4Å; W79-N92 HydrophobicContact CZ3-CB 3.75Å; W79-N92 WeakPolarHBondContact CZ3-ND2 3.22Å; W79-A93 HydrophobicContact CB-CB 4.45Å; W79-A93 HydrophobicContact CG-CB 4Å; W79-D96 PolarHBondContact NE1-OD2 3.06Å
80	C	91.2	Very high	91.4	Very high	24 Å²	24	64 Å²	64	16%	0.162	33%	0.329	C	S	.	.			trans	-67.6	144.7	178.5	-87.3	0	0	0	0	113	Y76 K84	Y76-C80 WeakPolarHBondContact CD1-SG 3.44Å; Y76-C80 WeakPolarHBondContact CE1-SG 3.22Å; Y76-C80 VanDerWaalsContact O-CB 3.27Å; Y76-C80 WeakPolarHBondContact O-CB 3.15Å; Y76-C80 PolarHBondContact O-N 3.35Å; Y76-C80 PolarHBondContact O-SG 3.15Å; C80-K84 VanDerWaalsContact SG-C 3.53Å
81	Q	81	Confident	91.5	Very high	134 Å²	134	60.4 Å²	60.4	63%	0.626	31%	0.31	S	S	*	.	B	Isolated β-bridge	trans	-116.1	93.7	167.8	-67.1	-177.9	-11	0	0	107.3	K84	Q81-K84 PolarHBondContact N-O 3.45Å
82	G	81.6	Confident	91.6	Very high	74 Å²	74	60.7 Å²	60.7	76%	0.763	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-127.9	-170.1	0	0	0	0	0	111.6
83	S	82.8	Confident	91.5	Very high	102 Å²	102	60.7 Å²	60.7	71%	0.713	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-2.9	-175	59.2	0	0	0	0	114.9	Y76	Y76-S83 PolarHBondContact OH-O 3.35Å
84	K	91.2	Very high	91.4	Very high	99 Å²	99	55.2 Å²	55.2	43%	0.43	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-135.4	150.9	-178.8	-61.7	-170.9	177.2	-171.9	0	112.4	Y76 C80 Q81 Y123	Y76-K84 WeakPolarHBondContact OH-CA 3.12Å; C80-K84 VanDerWaalsContact SG-C 3.53Å; Q81-K84 PolarHBondContact N-O 3.45Å; K84-Y123 HydrophobicContact CB-CD1 4.41Å; K84-Y123 HydrophobicContact CB-CG 4.5Å
85	L	93.2	Very high	91.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	128.7	174.9	-175.4	145	0	0	0	109.2	Y76 W79 L90 A93 Y123 I124 F129	Y76-L85 HydrophobicContact CD2-CB 3.98Å; Y76-L85 HydrophobicContact CD2-CD1 4.02Å; Y76-L85 HydrophobicContact CE2-CB 3.52Å; Y76-L85 HydrophobicContact CE2-CD1 4.42Å; W79-L85 HydrophobicContact CB-CD1 3.76Å; W79-L85 HydrophobicContact CB-CG 4.49Å; L85-L90 HydrophobicContact CD2-CB 4.33Å; L85-L90 HydrophobicContact CD2-CD1 4.35Å; L85-A93 HydrophobicContact CD1-CB 4.37Å; L85-Y123 CarbonylContact O-C 3.54Å; L85-Y123 VanDerWaalsContact O-CA 3.27Å; L85-Y123 WeakPolarHBondContact O-CA 3.42Å; L85-I124 HydrophobicContact CB-CG1 3.98Å; L85-I124 HydrophobicContact CD2-CD1 3.92Å; L85-I124 HydrophobicContact CD2-CG1 3.93Å; L85-I124 PolarHBondContact N-O 2.99Å; L85-I124 PolarHBondContact O-N 3.47Å; L85-F129 HydrophobicContact CD1-CD2 4.06Å; L85-F129 HydrophobicContact CD1-CE2 4.01Å
86	S	93.7	Very high	91.1	Very high	13 Å²	13	51.3 Å²	51.3	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	134.9	172.3	174.8	0	0	0	0	110	D88 K89	S86-D88 PolarHBondContact O-N 3.25Å; S86-D88 VanDerWaalsContact O-N 3.11Å; S86-K89 WeakPolarHBondContact O-CB 3.29Å; S86-K89 PolarHBondContact O-N 2.9Å
87	I	92.4	Very high	90.7	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.051	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-55.9	-30.9	-179.1	-166.1	173.3	0	0	0	113.1	K89 L90 Y107 F111 T118 Y121 R122	I87-K89 PolarHBondContact O-N 2.95Å; I87-K89 VanDerWaalsContact O-N 3.08Å; I87-L90 HydrophobicContact CG1-CD2 4.46Å; I87-L90 WeakPolarHBondContact O-CB 3.32Å; I87-L90 PolarHBondContact O-N 3.44Å; I87-Y107 HydrophobicContact CD1-CD2 3.87Å; I87-Y107 HydrophobicContact CD1-CE2 3.63Å; I87-Y107 HydrophobicContact CG1-CD2 3.81Å; I87-Y107 HydrophobicContact CG1-CE2 3.66Å; I87-F111 HydrophobicContact CD1-CD1 4.15Å; I87-F111 HydrophobicContact CD1-CE1 3.35Å; I87-F111 HydrophobicContact CD1-CE2 4.23Å; I87-F111 HydrophobicContact CD1-CZ 3.4Å; I87-F111 HydrophobicContact CG1-CE1 4.39Å; I87-F111 HydrophobicContact CG1-CZ 3.97Å; I87-T118 HydrophobicContact CD1-CG2 3.82Å; I87-Y121 WeakPolarHBondContact CB-O 3.36Å; I87-R122 PolarHBondContact N-O 2.79Å; I87-R122 VanDerWaalsContact N-O 3.16Å
88	D	91.3	Very high	90.1	Very high	116 Å²	116	47.5 Å²	47.5	62%	0.62	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-64.4	-15.6	178.3	-57.3	-29.3	0	0	0	113.1	S86	S86-D88 PolarHBondContact O-N 3.25Å; S86-D88 VanDerWaalsContact O-N 3.11Å
89	K	93.6	Very high	89.2	Confident	71 Å²	71	42.5 Å²	42.5	31%	0.309	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-95.6	-8.1	175.5	-60.4	-56.2	-174.2	-176.9	0	113.5	W79 S86 I87 N91 N92 A93	W79-K89 HydrophobicContact CB-CB 4.32Å; W79-K89 HydrophobicContact CE3-CB 4.1Å; W79-K89 HydrophobicContact CE3-CD 3.98Å; W79-K89 HydrophobicContact CE3-CG 4.29Å; W79-K89 HydrophobicContact CZ3-CD 4.22Å; S86-K89 WeakPolarHBondContact O-CB 3.29Å; S86-K89 PolarHBondContact O-N 2.9Å; I87-K89 PolarHBondContact O-N 2.95Å; I87-K89 VanDerWaalsContact O-N 3.08Å; K89-N91 VanDerWaalsContact C-N 3.32Å; K89-N91 PolarHBondContact O-N 3.22Å; K89-N92 PolarHBondContact O-N 2.94Å; K89-N92 VanDerWaalsContact O-N 3.15Å; K89-A93 PolarHBondContact O-N 3.46Å
90	L	93.7	Very high	88.4	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-37.8	-170.9	-173.5	56.1	0	0	0	112.5	L85 I87 N92 A93 F94 Y107 F111 I124 F129 I132	L85-L90 HydrophobicContact CD2-CB 4.33Å; L85-L90 HydrophobicContact CD2-CD1 4.35Å; I87-L90 HydrophobicContact CG1-CD2 4.46Å; I87-L90 WeakPolarHBondContact O-CB 3.32Å; I87-L90 PolarHBondContact O-N 3.44Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-N92 PolarHBondContact O-N 3.25Å; L90-A93 PolarHBondContact O-N 2.85Å; L90-F94 HydrophobicContact CD1-CD1 4.04Å; L90-F94 HydrophobicContact CD1-CE1 3.6Å; L90-F94 HydrophobicContact CD1-CZ 3.97Å; L90-F94 HydrophobicContact CD2-CZ 4.17Å; L90-F94 HydrophobicContact CG-CD1 4.4Å; L90-F94 HydrophobicContact CG-CE1 3.95Å; L90-F94 HydrophobicContact CG-CE2 4.16Å; L90-F94 HydrophobicContact CG-CZ 3.82Å; L90-F94 WeakPolarHBondContact O-CG 3.36Å; L90-F94 PolarHBondContact O-N 3.38Å; L90-Y107 HydrophobicContact CB-CD1 4.42Å; L90-Y107 HydrophobicContact CB-CG 4.34Å; L90-Y107 VanDerWaalsContact CD2-CB 3.42Å; L90-Y107 HydrophobicContact CD2-CD2 4.41Å; L90-Y107 HydrophobicContact CD2-CG 4.04Å; L90-Y107 HydrophobicContact CG-CG 4.43Å; L90-F111 HydrophobicContact CD2-CE2 3.59Å; L90-F111 HydrophobicContact CD2-CZ 4.25Å; L90-I124 HydrophobicContact CD1-CD1 4.3Å; L90-F129 HydrophobicContact CD1-CD2 3.88Å; L90-F129 HydrophobicContact CD1-CE2 3.84Å; L90-I132 HydrophobicContact CD1-CG2 4.18Å; L90-I132 HydrophobicContact CD2-CD1 4.5Å; L90-I132 HydrophobicContact CD2-CG2 3.9Å
91	N	92.1	Very high	88.1	Confident	12 Å²	12	42.5 Å²	42.5	6%	0.064	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-43.6	175.1	-116.1	53.9	0	0	0	112.2	K89 F94 E95 P103 N104 N105 C106 Y107	K89-N91 VanDerWaalsContact C-N 3.32Å; K89-N91 PolarHBondContact O-N 3.22Å; N91-F94 WeakPolarHBondContact O-CB 3.45Å; N91-F94 PolarHBondContact O-N 3.25Å; N91-E95 PolarHBondContact O-N 3.34Å; N91-E95 VanDerWaalsContact O-N 3.16Å; N91-P103 PolarHBondContact ND2-O 3.36Å; N91-N104 VanDerWaalsContact ND2-CA 3.32Å; N91-N104 WeakPolarHBondContact ND2-CA 3.39Å; N91-N105 PolarHBondContact ND2-N 3.48Å; N91-C106 PolarHBondContact OD1-N 3.43Å; N91-C106 VanDerWaalsContact OD1-N 3.09Å; N91-Y107 HydrophobicContact CB-CD1 4.29Å; N91-Y107 WeakPolarHBondContact OD1-CD1 3.37Å; N91-Y107 PolarHBondContact OD1-N 3.38Å
92	N	92	Very high	88.3	Confident	53 Å²	53	36.2 Å²	36.2	28%	0.283	21%	0.21	S	C	.	.	H	α-helix	trans	-68.5	-39.8	176.7	-57.1	-20.4	0	0	0	111.3	W79 K89 L90 F94 E95 D96	W79-N92 HydrophobicContact CD2-CB 4.19Å; W79-N92 HydrophobicContact CE3-CB 4.14Å; W79-N92 HydrophobicContact CH2-CB 3.36Å; W79-N92 HydrophobicContact CZ2-CB 3.4Å; W79-N92 VanDerWaalsContact CZ2-CB 3.4Å; W79-N92 HydrophobicContact CZ3-CB 3.75Å; W79-N92 WeakPolarHBondContact CZ3-ND2 3.22Å; K89-N92 PolarHBondContact O-N 2.94Å; K89-N92 VanDerWaalsContact O-N 3.15Å; L90-N92 VanDerWaalsContact C-N 3.34Å; L90-N92 PolarHBondContact O-N 3.25Å; N92-F94 PolarHBondContact O-N 3.21Å; N92-E95 WeakPolarHBondContact O-CB 3.23Å; N92-E95 PolarHBondContact O-N 3.37Å; N92-D96 PolarHBondContact O-N 3.34Å
93	A	93.6	Very high	88.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-35.5	174.8	0	0	0	0	0	111.9	I75 W79 L85 K89 L90 D96 F129	I75-A93 HydrophobicContact CG2-CB 3.9Å; I75-A93 WeakPolarHBondContact CG2-O 3.39Å; W79-A93 HydrophobicContact CB-CB 4.45Å; W79-A93 HydrophobicContact CG-CB 4Å; L85-A93 HydrophobicContact CD1-CB 4.37Å; K89-A93 PolarHBondContact O-N 3.46Å; L90-A93 PolarHBondContact O-N 2.85Å; A93-D96 PolarHBondContact O-N 2.89Å; A93-F129 HydrophobicContact CB-CE2 3.94Å; A93-F129 HydrophobicContact CB-CZ 4.27Å
94	F	92.5	Very high	88.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-67.8	-35.6	173.3	-67.9	-19.5	0	0	0	113.2	L90 N91 N92 D96 I97 V98 I102 V110 I132 A136 F141	L90-F94 HydrophobicContact CD1-CD1 4.04Å; L90-F94 HydrophobicContact CD1-CE1 3.6Å; L90-F94 HydrophobicContact CD1-CZ 3.97Å; L90-F94 HydrophobicContact CD2-CZ 4.17Å; L90-F94 HydrophobicContact CG-CD1 4.4Å; L90-F94 HydrophobicContact CG-CE1 3.95Å; L90-F94 HydrophobicContact CG-CE2 4.16Å; L90-F94 HydrophobicContact CG-CZ 3.82Å; L90-F94 WeakPolarHBondContact O-CG 3.36Å; L90-F94 PolarHBondContact O-N 3.38Å; N91-F94 WeakPolarHBondContact O-CB 3.45Å; N91-F94 PolarHBondContact O-N 3.25Å; N92-F94 PolarHBondContact O-N 3.21Å; F94-D96 PolarHBondContact O-N 3.02Å; F94-I97 HydrophobicContact CD1-CD1 4.17Å; F94-I97 WeakPolarHBondContact O-CB 3.13Å; F94-I97 PolarHBondContact O-N 3.18Å; F94-V98 PolarHBondContact O-N 3.32Å; F94-I102 VanDerWaalsContact C-CD1 3.4Å; F94-I102 HydrophobicContact CB-CD1 3.22Å; F94-I102 HydrophobicContact CD2-CD1 4.5Å; F94-I102 HydrophobicContact CG-CD1 4.32Å; F94-I102 WeakPolarHBondContact O-CD1 3.13Å; F94-V110 HydrophobicContact CE2-CG2 4.07Å; F94-V110 HydrophobicContact CZ-CG2 4.16Å; F94-I132 HydrophobicContact CE1-CG2 3.77Å; F94-I132 HydrophobicContact CZ-CG2 3.5Å; F94-A136 HydrophobicContact CE1-CB 4.02Å; F94-A136 HydrophobicContact CE2-CB 4.2Å; F94-A136 HydrophobicContact CZ-CB 3.76Å; F94-F141 HydrophobicContact CB-CE1 4.24Å; F94-F141 HydrophobicContact CB-CE2 4.37Å; F94-F141 HydrophobicContact CB-CZ 3.56Å; F94-F141 HydrophobicContact CD1-CE2 4.47Å; F94-F141 AromaticContact CD1-CZ 3.82Å; F94-F141 HydrophobicContact CD1-CZ 3.82Å; F94-F141 HydrophobicContact CD2-CE1 4.08Å; F94-F141 AromaticContact CD2-CZ 3.75Å; F94-F141 HydrophobicContact CD2-CZ 3.75Å; F94-F141 HydrophobicContact CE1-CZ 4.31Å; F94-F141 HydrophobicContact CE2-CZ 4.24Å; F94-F141 HydrophobicContact CG-CE1 4.25Å; F94-F141 HydrophobicContact CG-CE2 4.46Å; F94-F141 AromaticContact CG-CZ 3.51Å; F94-F141 HydrophobicContact CG-CZ 3.51Å; F94-F141 HydrophobicContact CZ-CZ 4.49Å
95	E	89.8	Confident	88.5	Confident	14 Å²	14	35.2 Å²	35.2	7%	0.065	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-21.6	176.3	-68.2	179.7	137.2	0	0	112.7	R21 N91 N92 I97 I102	R21-E95 IonicContact CZ-OE1 3.39Å; R21-E95 IonicContact CZ-OE2 3.97Å; R21-E95 IonicContact NE-OE1 3.04Å; R21-E95 IonicContact NH1-OE1 2.84Å; R21-E95 IonicContact NH1-OE2 3.13Å; R21-E95 PolarHBondContact NH1-OE2 3.43Å; R21-E95 IonicContact NH2-OE1 2.89Å; R21-E95 PolarHBondContact NH2-OE1 3.46Å; R21-E95 IonicContact NH2-OE2 2.96Å; R21-E95 PolarHBondContact NH2-OE2 3.41Å; N91-E95 PolarHBondContact O-N 3.34Å; N91-E95 VanDerWaalsContact O-N 3.16Å; N92-E95 WeakPolarHBondContact O-CB 3.23Å; N92-E95 PolarHBondContact O-N 3.37Å; E95-I97 VanDerWaalsContact C-N 3.26Å; E95-I102 HydrophobicContact CG-CB 4Å; E95-I102 HydrophobicContact CG-CG1 4.29Å
96	D	89.7	Confident	88.3	Confident	54 Å²	54	35.5 Å²	35.5	29%	0.289	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-8	172.4	-67.4	-14.4	0	0	0	113	I75 H78 W79 N92 A93 F94	I75-D96 HydrophobicContact CD1-CB 4.07Å; I75-D96 HydrophobicContact CG1-CB 4.1Å; I75-D96 HydrophobicContact CG2-CB 4.18Å; H78-D96 IonicContact CD2-OD2 3.4Å; W79-D96 PolarHBondContact NE1-OD2 3.06Å; N92-D96 PolarHBondContact O-N 3.34Å; A93-D96 PolarHBondContact O-N 2.89Å; F94-D96 PolarHBondContact O-N 3.02Å
97	I	87.4	Confident	88.2	Confident	28 Å²	28	36.2 Å²	36.2	14%	0.144	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-35.5	179.4	-60.7	174.7	0	0	0	111.4	Y72 I75 F94 E95 C133 E137 F141	Y72-I97 HydrophobicContact CE1-CD1 4.26Å; I75-I97 HydrophobicContact CD1-CG1 3.58Å; F94-I97 HydrophobicContact CD1-CD1 4.17Å; F94-I97 WeakPolarHBondContact O-CB 3.13Å; F94-I97 PolarHBondContact O-N 3.18Å; E95-I97 VanDerWaalsContact C-N 3.26Å; I97-C133 HydrophobicContact CD1-CB 4.06Å; I97-C133 VanDerWaalsContact CD1-SG 3.57Å; I97-E137 HydrophobicContact CG2-CG 3.84Å; I97-E137 WeakPolarHBondContact CG2-OE1 2.62Å; I97-F141 HydrophobicContact CB-CE2 4.22Å; I97-F141 HydrophobicContact CD1-CE2 4.3Å; I97-F141 HydrophobicContact CG2-CD2 4.23Å; I97-F141 HydrophobicContact CG2-CE2 4.04Å
98	V	81.6	Confident	88.2	Confident	9 Å²	9	37.9 Å²	37.9	6%	0.055	20%	0.199	C	C	.	.	S	Bend	trans	-125.6	153.9	-168.9	-61.5	0	0	0	0	113.2	F94 V100 I102 F141	F94-V98 PolarHBondContact O-N 3.32Å; V98-V100 HydrophobicContact CB-CG2 3.98Å; V98-V100 HydrophobicContact CG2-CG2 3.62Å; V98-V100 PolarHBondContact O-N 3.17Å; V98-I102 HydrophobicContact CG2-CD1 3.58Å; V98-I102 HydrophobicContact CG2-CG1 3.75Å; V98-F141 HydrophobicContact CG1-CB 3.76Å; V98-F141 HydrophobicContact CG1-CD1 4.5Å; V98-F141 HydrophobicContact CG1-CD2 3.22Å; V98-F141 HydrophobicContact CG1-CE2 3.96Å; V98-F141 HydrophobicContact CG1-CG 3.59Å
99	P	73.6	Confident	88.1	Confident	24 Å²	24	35.8 Å²	35.8	16%	0.156	19%	0.188	C	C	.	.	S	Bend	trans	-77.9	10.9	-175.2	30.6	-36.7	0	0	0	116.9	Y26 I150	Y26-P99 HydrophobicContact CD1-CB 4.31Å; Y26-P99 HydrophobicContact CE1-CB 3.3Å; Y26-P99 HydrophobicContact CE1-CG 4.43Å; Y26-P99 WeakPolarHBondContact OH-CA 3.47Å; Y26-P99 VanDerWaalsContact OH-CB 3.31Å; Y26-P99 WeakPolarHBondContact OH-CB 3.38Å; Y26-P99 PolarHBondContact OH-O 3.34Å; P99-I150 HydrophobicContact CG-CD1 3.94Å
100	V	78.9	Confident	88.1	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.024	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-128.8	146.1	-166.5	-72.8	0	0	0	0	109.6	I18 V98 I102 I144 I150	I18-V100 HydrophobicContact CG2-CB 3.62Å; I18-V100 HydrophobicContact CG2-CG1 3.95Å; V98-V100 HydrophobicContact CB-CG2 3.98Å; V98-V100 HydrophobicContact CG2-CG2 3.62Å; V98-V100 PolarHBondContact O-N 3.17Å; V100-I102 PolarHBondContact O-N 2.66Å; V100-I144 HydrophobicContact CB-CG2 4.29Å; V100-I144 HydrophobicContact CG2-CG2 3.59Å; V100-I150 HydrophobicContact CG1-CD1 3.22Å
101	Q	83.9	Confident	88	Confident	76 Å²	76	32.4 Å²	32.4	36%	0.355	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-61.2	128.6	170.3	-174.1	173.2	3.2	0	0	110	Y19	Y19-Q101 WeakPolarHBondContact O-CB 3.19Å; Y19-Q101 PolarHBondContact O-N 2.63Å; Y19-Q101 VanDerWaalsContact O-N 3.13Å
102	I	85.5	Confident	87.9	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-91.9	132.7	177.8	-69.5	-177.4	0	0	0	109	F94 E95 V98 V100 C106 F141	F94-I102 VanDerWaalsContact C-CD1 3.4Å; F94-I102 HydrophobicContact CB-CD1 3.22Å; F94-I102 HydrophobicContact CD2-CD1 4.5Å; F94-I102 HydrophobicContact CG-CD1 4.32Å; F94-I102 WeakPolarHBondContact O-CD1 3.13Å; E95-I102 HydrophobicContact CG-CB 4Å; E95-I102 HydrophobicContact CG-CG1 4.29Å; V98-I102 HydrophobicContact CG2-CD1 3.58Å; V98-I102 HydrophobicContact CG2-CG1 3.75Å; V100-I102 PolarHBondContact O-N 2.66Å; I102-C106 HydrophobicContact CG2-CB 3.23Å; I102-F141 HydrophobicContact CD1-CD1 4.14Å; I102-F141 HydrophobicContact CD1-CE1 3.52Å; I102-F141 HydrophobicContact CD1-CE2 4.49Å; I102-F141 HydrophobicContact CD1-CZ 3.75Å; I102-F141 HydrophobicContact CG1-CE1 4.48Å
103	P	86.1	Confident	87.7	Confident	22 Å²	22	35.7 Å²	35.7	14%	0.143	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-56.8	143.9	175.8	-26.3	35	0	0	0	113.1	F16 N91 N105 C106	F16-P103 HydrophobicContact CB-CG 4.14Å; F16-P103 HydrophobicContact CD1-CB 3.36Å; F16-P103 HydrophobicContact CD1-CG 3.42Å; F16-P103 VanDerWaalsContact CD1-CG 3.42Å; F16-P103 HydrophobicContact CD2-CG 4.3Å; F16-P103 HydrophobicContact CE1-CB 3.28Å; F16-P103 HydrophobicContact CE1-CG 3.75Å; F16-P103 HydrophobicContact CG-CB 4.17Å; F16-P103 HydrophobicContact CG-CG 3.7Å; F16-P103 HydrophobicContact CZ-CB 4.01Å; F16-P103 HydrophobicContact CZ-CG 4.29Å; N91-P103 PolarHBondContact ND2-O 3.36Å; P103-N105 PolarHBondContact O-N 3.38Å; P103-C106 WeakPolarHBondContact O-CB 3.37Å; P103-C106 PolarHBondContact O-N 3.16Å; P103-C106 VanDerWaalsContact O-N 3.09Å
104	N	87.1	Confident	87.6	Confident	139 Å²	139	35.9 Å²	35.9	74%	0.743	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	138.6	173.9	-73.1	-18.3	0	0	0	110.9	N91 C106	N91-N104 VanDerWaalsContact ND2-CA 3.32Å; N91-N104 WeakPolarHBondContact ND2-CA 3.39Å; N104-C106 PolarHBondContact O-N 2.76Å
105	N	86.2	Confident	87.3	Confident	94 Å²	94	37.5 Å²	37.5	50%	0.503	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	17.2	-178.4	-52.5	-37.1	0	0	0	115.2	N91 P103 Y107 T108	N91-N105 PolarHBondContact ND2-N 3.48Å; P103-N105 PolarHBondContact O-N 3.38Å; N105-Y107 PolarHBondContact O-N 2.83Å; N105-T108 HydrophobicContact CB-CG2 4.09Å; N105-T108 WeakPolarHBondContact O-CB 3.46Å; N105-T108 PolarHBondContact O-N 3.25Å; N105-T108 PolarHBondContact O-OG1 2.89Å
106	C	89.5	Confident	87.3	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-51.3	-30.4	173.6	-178.4	0	0	0	0	113.1	N91 I102 P103 N104 T108 L109 V110 V140	N91-C106 PolarHBondContact OD1-N 3.43Å; N91-C106 VanDerWaalsContact OD1-N 3.09Å; I102-C106 HydrophobicContact CG2-CB 3.23Å; P103-C106 WeakPolarHBondContact O-CB 3.37Å; P103-C106 PolarHBondContact O-N 3.16Å; P103-C106 VanDerWaalsContact O-N 3.09Å; N104-C106 PolarHBondContact O-N 2.76Å; C106-T108 PolarHBondContact O-N 3.12Å; C106-L109 WeakPolarHBondContact O-CB 3.34Å; C106-L109 PolarHBondContact O-N 3.13Å; C106-V110 PolarHBondContact O-N 3.04Å; C106-V140 VanDerWaalsContact SG-CG1 3.53Å
107	Y	92	Very high	87.1	Confident	29 Å²	29	39.8 Å²	39.8	11%	0.114	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-26.4	175.1	69.8	-96.1	0	0	0	114.4	I87 L90 N91 N105 L109 V110 F111 T118	I87-Y107 HydrophobicContact CD1-CD2 3.87Å; I87-Y107 HydrophobicContact CD1-CE2 3.63Å; I87-Y107 HydrophobicContact CG1-CD2 3.81Å; I87-Y107 HydrophobicContact CG1-CE2 3.66Å; L90-Y107 HydrophobicContact CB-CD1 4.42Å; L90-Y107 HydrophobicContact CB-CG 4.34Å; L90-Y107 VanDerWaalsContact CD2-CB 3.42Å; L90-Y107 HydrophobicContact CD2-CD2 4.41Å; L90-Y107 HydrophobicContact CD2-CG 4.04Å; L90-Y107 HydrophobicContact CG-CG 4.43Å; N91-Y107 HydrophobicContact CB-CD1 4.29Å; N91-Y107 WeakPolarHBondContact OD1-CD1 3.37Å; N91-Y107 PolarHBondContact OD1-N 3.38Å; N105-Y107 PolarHBondContact O-N 2.83Å; Y107-L109 VanDerWaalsContact C-N 3.3Å; Y107-L109 PolarHBondContact O-N 3Å; Y107-V110 PolarHBondContact O-N 2.91Å; Y107-F111 HydrophobicContact CD2-CD2 4.46Å; Y107-F111 HydrophobicContact CD2-CE2 4.47Å; Y107-F111 WeakPolarHBondContact O-CD2 3.17Å; Y107-F111 PolarHBondContact O-N 3.48Å; Y107-T118 HydrophobicContact CD2-CG2 4.5Å; Y107-T118 HydrophobicContact CE2-CG2 4.02Å
108	T	91.9	Very high	86.9	Confident	45 Å²	45	41.5 Å²	41.5	28%	0.276	23%	0.229	S	C	.	.	H	α-helix	trans	-67.4	-35.4	178.6	64.8	0	0	0	0	111.2	N105 C106 F111 N112 T118	N105-T108 HydrophobicContact CB-CG2 4.09Å; N105-T108 WeakPolarHBondContact O-CB 3.46Å; N105-T108 PolarHBondContact O-N 3.25Å; N105-T108 PolarHBondContact O-OG1 2.89Å; C106-T108 PolarHBondContact O-N 3.12Å; T108-F111 PolarHBondContact O-N 2.95Å; T108-N112 WeakPolarHBondContact O-CB 3.34Å; T108-N112 PolarHBondContact O-N 2.89Å; T108-N112 PolarHBondContact O-ND2 3.01Å; T108-T118 HydrophobicContact CG2-CG2 4.31Å
109	L	89.9	Confident	87	Confident	72 Å²	72	48.1 Å²	48.1	38%	0.377	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-48.9	172.2	-63.1	175.9	0	0	0	110.1	C106 Y107 F111 N112 L113	C106-L109 WeakPolarHBondContact O-CB 3.34Å; C106-L109 PolarHBondContact O-N 3.13Å; Y107-L109 VanDerWaalsContact C-N 3.3Å; Y107-L109 PolarHBondContact O-N 3Å; L109-F111 VanDerWaalsContact C-N 3.31Å; L109-F111 PolarHBondContact O-N 3.12Å; L109-N112 PolarHBondContact O-N 3.39Å; L109-L113 VanDerWaalsContact O-CG 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.28Å; L109-L113 PolarHBondContact O-N 2.77Å
110	V	92.6	Very high	87.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-46.2	178.1	-177.8	0	0	0	0	110.5	F94 C106 Y107 N112 L113 I114 I132 T135 A136 V140	F94-V110 HydrophobicContact CE2-CG2 4.07Å; F94-V110 HydrophobicContact CZ-CG2 4.16Å; C106-V110 PolarHBondContact O-N 3.04Å; Y107-V110 PolarHBondContact O-N 2.91Å; V110-N112 PolarHBondContact O-N 2.84Å; V110-L113 WeakPolarHBondContact O-CB 3.31Å; V110-L113 PolarHBondContact O-N 3.41Å; V110-I114 WeakPolarHBondContact O-CG1 3.06Å; V110-I114 PolarHBondContact O-N 2.87Å; V110-I132 HydrophobicContact CG1-CG2 3.9Å; V110-T135 HydrophobicContact CG1-CG2 3.79Å; V110-A136 HydrophobicContact CG1-CB 4.29Å; V110-A136 HydrophobicContact CG2-CB 3.65Å; V110-V140 HydrophobicContact CG2-CG2 3.93Å
111	F	92.8	Very high	87.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-45.2	178.3	-87.3	-130.5	0	0	0	112.1	I87 L90 Y107 T108 L109 L113 I114 G115 L116 T118 Y121 I132	I87-F111 HydrophobicContact CD1-CD1 4.15Å; I87-F111 HydrophobicContact CD1-CE1 3.35Å; I87-F111 HydrophobicContact CD1-CE2 4.23Å; I87-F111 HydrophobicContact CD1-CZ 3.4Å; I87-F111 HydrophobicContact CG1-CE1 4.39Å; I87-F111 HydrophobicContact CG1-CZ 3.97Å; L90-F111 HydrophobicContact CD2-CE2 3.59Å; L90-F111 HydrophobicContact CD2-CZ 4.25Å; Y107-F111 HydrophobicContact CD2-CD2 4.46Å; Y107-F111 HydrophobicContact CD2-CE2 4.47Å; Y107-F111 WeakPolarHBondContact O-CD2 3.17Å; Y107-F111 PolarHBondContact O-N 3.48Å; T108-F111 PolarHBondContact O-N 2.95Å; L109-F111 VanDerWaalsContact C-N 3.31Å; L109-F111 PolarHBondContact O-N 3.12Å; F111-L113 VanDerWaalsContact C-N 3.32Å; F111-L113 PolarHBondContact O-N 3.4Å; F111-I114 CarbonylContact O-C 3.54Å; F111-I114 PolarHBondContact O-N 3Å; F111-G115 PolarHBondContact O-N 3.25Å; F111-L116 HydrophobicContact CB-CB 4.39Å; F111-L116 HydrophobicContact CD1-CB 3.87Å; F111-L116 HydrophobicContact CE1-CB 4.45Å; F111-L116 HydrophobicContact CG-CB 4.26Å; F111-L116 PolarHBondContact O-N 2.96Å; F111-T118 HydrophobicContact CD1-CG2 3.85Å; F111-T118 HydrophobicContact CE1-CG2 4.33Å; F111-T118 HydrophobicContact CG-CG2 4.41Å; F111-Y121 HydrophobicContact CE1-CG 4.32Å; F111-I132 HydrophobicContact CE2-CD1 3.63Å; F111-I132 HydrophobicContact CE2-CG1 4.19Å; F111-I132 HydrophobicContact CE2-CG2 4.47Å; F111-I132 HydrophobicContact CZ-CD1 3.95Å
112	N	89.9	Confident	88.2	Confident	104 Å²	104	59.4 Å²	59.4	56%	0.556	31%	0.308	S	S	*	.	H	α-helix	trans	-60.4	-41.8	176.6	-70.2	-20.1	0	0	0	111.7	T108 L109 V110 I114 G115	T108-N112 WeakPolarHBondContact O-CB 3.34Å; T108-N112 PolarHBondContact O-N 2.89Å; T108-N112 PolarHBondContact O-ND2 3.01Å; L109-N112 PolarHBondContact O-N 3.39Å; V110-N112 PolarHBondContact O-N 2.84Å; N112-I114 VanDerWaalsContact C-N 3.27Å; N112-I114 PolarHBondContact O-N 3.36Å; N112-G115 PolarHBondContact O-N 3.08Å
113	L	88.3	Confident	88.5	Confident	30 Å²	30	64.3 Å²	64.3	16%	0.157	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-33.6	179.2	-67.7	174	0	0	0	112.8	L109 V110 F111 T135 L139 V140 L185	L109-L113 VanDerWaalsContact O-CG 3.3Å; L109-L113 WeakPolarHBondContact O-CG 3.28Å; L109-L113 PolarHBondContact O-N 2.77Å; V110-L113 WeakPolarHBondContact O-CB 3.31Å; V110-L113 PolarHBondContact O-N 3.41Å; F111-L113 VanDerWaalsContact C-N 3.32Å; F111-L113 PolarHBondContact O-N 3.4Å; L113-T135 HydrophobicContact CB-CG2 4.41Å; L113-L139 HydrophobicContact CD1-CB 4Å; L113-L139 HydrophobicContact CD1-CD1 3.94Å; L113-V140 HydrophobicContact CD1-CG2 4.09Å; L113-L185 HydrophobicContact CD2-CD1 3.67Å
114	I	90.9	Very high	88.9	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.015	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	11.5	179	61.5	164.5	0	0	0	113.3	V54 I55 L58 V110 F111 N112 L116 I132 T135 F182	V54-I114 HydrophobicContact CB-CB 4.22Å; V54-I114 HydrophobicContact CG1-CB 3.81Å; V54-I114 HydrophobicContact CG1-CG2 3.75Å; I55-I114 HydrophobicContact CD1-CD1 4.32Å; L58-I114 HydrophobicContact CD1-CB 4.29Å; L58-I114 HydrophobicContact CD1-CG2 3.61Å; V110-I114 WeakPolarHBondContact O-CG1 3.06Å; V110-I114 PolarHBondContact O-N 2.87Å; F111-I114 CarbonylContact O-C 3.54Å; F111-I114 PolarHBondContact O-N 3Å; N112-I114 VanDerWaalsContact C-N 3.27Å; N112-I114 PolarHBondContact O-N 3.36Å; I114-L116 VanDerWaalsContact C-N 3.27Å; I114-L116 HydrophobicContact CD1-CD1 3.47Å; I114-L116 VanDerWaalsContact CD1-CD1 3.47Å; I114-L116 HydrophobicContact CD1-CG 3.73Å; I114-L116 HydrophobicContact CG1-CB 4.39Å; I114-L116 HydrophobicContact CG1-CD1 4.15Å; I114-L116 HydrophobicContact CG1-CG 3.84Å; I114-L116 PolarHBondContact O-N 3.39Å; I114-I132 HydrophobicContact CD1-CG1 3.99Å; I114-T135 HydrophobicContact CG2-CG2 3.69Å; I114-T135 WeakPolarHBondContact CG2-OG1 3.45Å; I114-F182 HydrophobicContact CG2-CD2 4.24Å; I114-F182 HydrophobicContact CG2-CE2 3.98Å
115	G	86.6	Confident	89.2	Confident	34 Å²	34	59.7 Å²	59.7	35%	0.351	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	25.7	176.1	0	0	0	0	0	114.7	F111 N112	F111-G115 PolarHBondContact O-N 3.25Å; N112-G115 PolarHBondContact O-N 3.08Å
116	L	89.1	Confident	89.7	Confident	11 Å²	11	57.2 Å²	57.2	6%	0.058	29%	0.285	C	S	.	.			trans	-93.7	147.8	174.4	-61	-169.3	0	0	0	110.9	I55 F111 I114 Y121	I55-L116 HydrophobicContact CB-CD2 4.22Å; I55-L116 HydrophobicContact CD1-CD1 4.47Å; I55-L116 HydrophobicContact CG2-CD2 4.16Å; F111-L116 HydrophobicContact CB-CB 4.39Å; F111-L116 HydrophobicContact CD1-CB 3.87Å; F111-L116 HydrophobicContact CE1-CB 4.45Å; F111-L116 HydrophobicContact CG-CB 4.26Å; F111-L116 PolarHBondContact O-N 2.96Å; I114-L116 VanDerWaalsContact C-N 3.27Å; I114-L116 HydrophobicContact CD1-CD1 3.47Å; I114-L116 VanDerWaalsContact CD1-CD1 3.47Å; I114-L116 HydrophobicContact CD1-CG 3.73Å; I114-L116 HydrophobicContact CG1-CB 4.39Å; I114-L116 HydrophobicContact CG1-CD1 4.15Å; I114-L116 HydrophobicContact CG1-CG 3.84Å; I114-L116 PolarHBondContact O-N 3.39Å; L116-Y121 HydrophobicContact CB-CD2 4.2Å; L116-Y121 HydrophobicContact CB-CE2 4.05Å; L116-Y121 HydrophobicContact CD1-CD2 4.29Å; L116-Y121 HydrophobicContact CD1-CE1 4.18Å; L116-Y121 HydrophobicContact CD1-CE2 3.93Å; L116-Y121 HydrophobicContact CD2-CE2 3.63Å; L116-Y121 WeakPolarHBondContact CD2-OH 3.37Å; L116-Y121 HydrophobicContact CG-CE2 4.06Å
117	Q	85.4	Confident	89.9	Confident	105 Å²	105	61.9 Å²	61.9	49%	0.491	31%	0.307	S	S	.	.			trans	-106.2	132.2	174	-60.5	-63.6	-41.4	0	0	109.7	I119 D120 Y121	Q117-I119 HydrophobicContact CB-CG2 4.02Å; Q117-I119 PolarHBondContact O-N 2.8Å; Q117-D120 PolarHBondContact O-N 2.92Å; Q117-Y121 WeakPolarHBondContact O-CD2 3.45Å
118	T	83.6	Confident	90	Very high	65 Å²	65	60.7 Å²	60.7	40%	0.399	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-59.7	-30.5	-178.4	53.7	0	0	0	0	112.8	I87 Y107 T108 F111 D120 Y121	I87-T118 HydrophobicContact CD1-CG2 3.82Å; Y107-T118 HydrophobicContact CD2-CG2 4.5Å; Y107-T118 HydrophobicContact CE2-CG2 4.02Å; T108-T118 HydrophobicContact CG2-CG2 4.31Å; F111-T118 HydrophobicContact CD1-CG2 3.85Å; F111-T118 HydrophobicContact CE1-CG2 4.33Å; F111-T118 HydrophobicContact CG-CG2 4.41Å; T118-D120 VanDerWaalsContact C-N 3.25Å; T118-D120 PolarHBondContact O-N 3.06Å; T118-Y121 CarbonylContact O-C 3.43Å; T118-Y121 PolarHBondContact O-N 3.25Å
119	I	84.3	Confident	90.2	Very high	147 Å²	147	58.5 Å²	58.5	75%	0.754	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-62.7	-31.1	177.3	-164.5	165.1	0	0	0	112.9	Q117 Y121	Q117-I119 HydrophobicContact CB-CG2 4.02Å; Q117-I119 PolarHBondContact O-N 2.8Å; I119-Y121 VanDerWaalsContact C-N 3.34Å
120	D	85.2	Confident	90.5	Very high	118 Å²	118	55.6 Å²	55.6	63%	0.631	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-84.7	-12.5	-178.6	-61	-34.7	0	0	0	112.1	Q117 T118	Q117-D120 PolarHBondContact O-N 2.92Å; T118-D120 VanDerWaalsContact C-N 3.25Å; T118-D120 PolarHBondContact O-N 3.06Å
121	Y	85.9	Confident	90.7	Very high	53 Å²	53	55.9 Å²	55.9	21%	0.208	28%	0.276	C	S	.	.			trans	-130.2	56.4	-168.8	-74.2	-88.1	0	0	0	112.5	I87 F111 L116 Q117 T118 I119 Y123 I124 T128	I87-Y121 WeakPolarHBondContact CB-O 3.36Å; F111-Y121 HydrophobicContact CE1-CG 4.32Å; L116-Y121 HydrophobicContact CB-CD2 4.2Å; L116-Y121 HydrophobicContact CB-CE2 4.05Å; L116-Y121 HydrophobicContact CD1-CD2 4.29Å; L116-Y121 HydrophobicContact CD1-CE1 4.18Å; L116-Y121 HydrophobicContact CD1-CE2 3.93Å; L116-Y121 HydrophobicContact CD2-CE2 3.63Å; L116-Y121 WeakPolarHBondContact CD2-OH 3.37Å; L116-Y121 HydrophobicContact CG-CE2 4.06Å; Q117-Y121 WeakPolarHBondContact O-CD2 3.45Å; T118-Y121 CarbonylContact O-C 3.43Å; T118-Y121 PolarHBondContact O-N 3.25Å; I119-Y121 VanDerWaalsContact C-N 3.34Å; Y121-Y123 PolarHBondContact O-N 3.14Å; Y121-I124 HydrophobicContact CD1-CG2 3.96Å; Y121-T128 HydrophobicContact CD1-CG2 4.49Å; Y121-T128 HydrophobicContact CE1-CG2 4.18Å
122	R	89.8	Confident	90.8	Very high	171 Å²	171	55.9 Å²	55.9	65%	0.645	28%	0.276	S	S	*	.	S	Bend	trans	-58.9	-33.5	172.1	-171	177.1	178.2	180	1	112.5	I87	I87-R122 PolarHBondContact N-O 2.79Å; I87-R122 VanDerWaalsContact N-O 3.16Å
123	Y	92.5	Very high	91	Very high	104 Å²	104	50.9 Å²	50.9	41%	0.408	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137	177.7	-62.3	-82.9	0	0	0	110.5	K84 L85 Y121	K84-Y123 HydrophobicContact CB-CD1 4.41Å; K84-Y123 HydrophobicContact CB-CG 4.5Å; L85-Y123 CarbonylContact O-C 3.54Å; L85-Y123 VanDerWaalsContact O-CA 3.27Å; L85-Y123 WeakPolarHBondContact O-CA 3.42Å; Y121-Y123 PolarHBondContact O-N 3.14Å
124	I	93.6	Very high	91.2	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	140	179.3	64.1	177.5	0	0	0	111.2	Y76 L85 L90 Y121 T128 F129 I132	Y76-I124 PolarHBondContact OH-O 3.5Å; L85-I124 HydrophobicContact CB-CG1 3.98Å; L85-I124 HydrophobicContact CD2-CD1 3.92Å; L85-I124 HydrophobicContact CD2-CG1 3.93Å; L85-I124 PolarHBondContact N-O 2.99Å; L85-I124 PolarHBondContact O-N 3.47Å; L90-I124 HydrophobicContact CD1-CD1 4.3Å; Y121-I124 HydrophobicContact CD1-CG2 3.96Å; I124-T128 HydrophobicContact CB-CG2 4.26Å; I124-T128 HydrophobicContact CG2-CG2 4.23Å; I124-F129 HydrophobicContact CD1-CB 3.97Å; I124-F129 HydrophobicContact CD1-CD2 4.09Å; I124-F129 HydrophobicContact CG1-CB 4.43Å; I124-I132 HydrophobicContact CD1-CD1 3.66Å; I124-I132 HydrophobicContact CG2-CD1 4.39Å
125	D	94.3	Very high	91.2	Very high	61 Å²	61	49.4 Å²	49.4	33%	0.326	24%	0.242	S	C	.	.			trans	-75.8	172.1	169.9	58.2	36.5	0	0	0	111.2	Y76 E127 T128 F129	Y76-D125 VanDerWaalsContact OH-CA 3.24Å; Y76-D125 WeakPolarHBondContact OH-CA 3.26Å; D125-E127 VanDerWaalsContact C-N 3.33Å; D125-E127 PolarHBondContact O-N 2.8Å; D125-E127 PolarHBondContact OD1-N 2.9Å; D125-T128 PolarHBondContact O-N 2.66Å; D125-T128 WeakPolarHBondContact OD1-CB 3.42Å; D125-T128 PolarHBondContact OD1-N 3.09Å; D125-T128 PolarHBondContact OD1-OG1 3.28Å; D125-F129 WeakPolarHBondContact O-CB 3.32Å; D125-F129 PolarHBondContact O-N 3.01Å
126	F	95.1	Very high	91.5	Very high	42 Å²	42	47.8 Å²	47.8	18%	0.184	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-38.7	-177.1	176.6	-116.8	0	0	0	112.6	H69 R73 Y76 F129 C130	H69-F126 AromaticContact CD2-CE1 3.87Å; H69-F126 AromaticContact NE2-CE1 3.45Å; H69-F126 WeakPolarHBondContact NE2-CE1 3.44Å; H69-F126 AromaticContact NE2-CZ 3.95Å; R73-F126 VanDerWaalsContact CA-CE2 3.41Å; R73-F126 HydrophobicContact CB-CE2 3.88Å; R73-F126 HydrophobicContact CB-CZ 3.74Å; R73-F126 HydrophobicContact CG-CE2 4.49Å; R73-F126 HydrophobicContact CG-CZ 4.38Å; Y76-F126 HydrophobicContact CD1-CB 4.03Å; Y76-F126 AromaticContact CD1-CD2 3.78Å; Y76-F126 HydrophobicContact CD1-CD2 3.78Å; Y76-F126 HydrophobicContact CD1-CG 4.29Å; Y76-F126 HydrophobicContact CD2-CD2 4.12Å; Y76-F126 HydrophobicContact CE1-CB 3.76Å; Y76-F126 HydrophobicContact CE1-CD2 4.38Å; Y76-F126 HydrophobicContact CE1-CG 4.5Å; Y76-F126 HydrophobicContact CE2-CB 4.32Å; Y76-F126 HydrophobicContact CG-CB 4.41Å; Y76-F126 AromaticContact CG-CD2 3.62Å; Y76-F126 HydrophobicContact CG-CD2 3.62Å; Y76-F126 HydrophobicContact CG-CE2 4.46Å; Y76-F126 HydrophobicContact CG-CG 4.48Å; Y76-F126 VanDerWaalsContact CZ-N 3.35Å; Y76-F126 PolarHBondContact OH-N 2.97Å; Y76-F126 VanDerWaalsContact OH-N 3.16Å; F126-F129 HydrophobicContact CD2-CD1 4.42Å; F126-F129 WeakPolarHBondContact O-CB 3.49Å; F126-F129 PolarHBondContact O-N 3.25Å; F126-C130 VanDerWaalsContact CE2-SG 3.53Å; F126-C130 WeakPolarHBondContact CZ-SG 3.22Å; F126-C130 PolarHBondContact O-N 3.41Å; F126-C130 PolarHBondContact O-SG 2.75Å; F126-C130 VanDerWaalsContact O-SG 3.34Å
127	E	94.9	Very high	91.5	Very high	104 Å²	104	48.9 Å²	48.9	49%	0.486	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-45.5	-179.8	-170.7	-178.8	178.5	0	0	111.2	R59 D125 F129 C130 C131	R59-E127 WeakPolarHBondContact CB-OE1 3.5Å; R59-E127 WeakPolarHBondContact CD-OE1 3.1Å; R59-E127 HydrophobicContact CG-CG 4.07Å; R59-E127 WeakPolarHBondContact CG-OE1 3.46Å; D125-E127 VanDerWaalsContact C-N 3.33Å; D125-E127 PolarHBondContact O-N 2.8Å; D125-E127 PolarHBondContact OD1-N 2.9Å; E127-F129 VanDerWaalsContact C-N 3.33Å; E127-F129 PolarHBondContact O-N 3.47Å; E127-C130 WeakPolarHBondContact O-CB 3.45Å; E127-C130 PolarHBondContact O-N 3.04Å; E127-C131 PolarHBondContact O-N 2.82Å; E127-C131 VanDerWaalsContact O-N 3.09Å; E127-C131 PolarHBondContact O-SG 3.16Å
128	T	94.4	Very high	91.4	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-39.7	175.8	-51.5	0	0	0	0	111.2	I55 R59 Y121 I124 D125 C130 C131 I132	I55-T128 HydrophobicContact CD1-CG2 4.22Å; R59-T128 PolarHBondContact NH2-OG1 3.26Å; Y121-T128 HydrophobicContact CD1-CG2 4.49Å; Y121-T128 HydrophobicContact CE1-CG2 4.18Å; I124-T128 HydrophobicContact CB-CG2 4.26Å; I124-T128 HydrophobicContact CG2-CG2 4.23Å; D125-T128 PolarHBondContact O-N 2.66Å; D125-T128 WeakPolarHBondContact OD1-CB 3.42Å; D125-T128 PolarHBondContact OD1-N 3.09Å; D125-T128 PolarHBondContact OD1-OG1 3.28Å; T128-C130 PolarHBondContact O-N 3.09Å; T128-C131 PolarHBondContact O-N 3.28Å; T128-I132 HydrophobicContact CG2-CD1 3.91Å; T128-I132 WeakPolarHBondContact O-CD1 3.38Å; T128-I132 VanDerWaalsContact O-CG1 3.29Å; T128-I132 WeakPolarHBondContact O-CG1 3.45Å; T128-I132 PolarHBondContact O-N 3.33Å
129	F	95.8	Very high	91.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.7	-46.2	173.3	174.4	-101.7	0	0	0	111.8	Y72 I75 Y76 L85 L90 A93 I124 D125 F126 E127 C131 I132 C133	Y72-F129 WeakPolarHBondContact O-CE1 3.38Å; I75-F129 HydrophobicContact CB-CZ 4.39Å; I75-F129 HydrophobicContact CG2-CZ 3.87Å; Y76-F129 HydrophobicContact CD2-CB 3.63Å; Y76-F129 AromaticContact CD2-CD1 3.68Å; Y76-F129 HydrophobicContact CD2-CD1 3.68Å; Y76-F129 HydrophobicContact CD2-CD2 4.13Å; Y76-F129 HydrophobicContact CD2-CE1 4.35Å; Y76-F129 AromaticContact CD2-CG 3.54Å; Y76-F129 HydrophobicContact CD2-CG 3.54Å; Y76-F129 HydrophobicContact CE2-CB 3.82Å; Y76-F129 HydrophobicContact CE2-CG 4.21Å; Y76-F129 HydrophobicContact CG-CD1 4.19Å; Y76-F129 HydrophobicContact CG-CG 4.48Å; L85-F129 HydrophobicContact CD1-CD2 4.06Å; L85-F129 HydrophobicContact CD1-CE2 4.01Å; L90-F129 HydrophobicContact CD1-CD2 3.88Å; L90-F129 HydrophobicContact CD1-CE2 3.84Å; A93-F129 HydrophobicContact CB-CE2 3.94Å; A93-F129 HydrophobicContact CB-CZ 4.27Å; I124-F129 HydrophobicContact CD1-CB 3.97Å; I124-F129 HydrophobicContact CD1-CD2 4.09Å; I124-F129 HydrophobicContact CG1-CB 4.43Å; D125-F129 WeakPolarHBondContact O-CB 3.32Å; D125-F129 PolarHBondContact O-N 3.01Å; F126-F129 HydrophobicContact CD2-CD1 4.42Å; F126-F129 WeakPolarHBondContact O-CB 3.49Å; F126-F129 PolarHBondContact O-N 3.25Å; E127-F129 VanDerWaalsContact C-N 3.33Å; E127-F129 PolarHBondContact O-N 3.47Å; F129-C131 VanDerWaalsContact C-N 3.35Å; F129-C131 PolarHBondContact O-N 3.35Å; F129-I132 PolarHBondContact O-N 3.02Å; F129-C133 VanDerWaalsContact CE2-SG 3.54Å; F129-C133 WeakPolarHBondContact CZ-SG 3.3Å; F129-C133 PolarHBondContact O-N 3.05Å; F129-C133 PolarHBondContact O-SG 3.49Å
130	C	96.2	Very high	91.6	Very high	10 Å²	10	37 Å²	37	7%	0.068	17%	0.168	C	C	.	.	H	α-helix	trans	-56.3	-46.5	175.2	-76.4	0	0	0	0	112.3	L64 Y72 F126 E127 T128 I132 C133 V134	L64-C130 HydrophobicContact CD1-CB 3.8Å; Y72-C130 HydrophobicContact CD2-CB 4.19Å; F126-C130 VanDerWaalsContact CE2-SG 3.53Å; F126-C130 WeakPolarHBondContact CZ-SG 3.22Å; F126-C130 PolarHBondContact O-N 3.41Å; F126-C130 PolarHBondContact O-SG 2.75Å; F126-C130 VanDerWaalsContact O-SG 3.34Å; E127-C130 WeakPolarHBondContact O-CB 3.45Å; E127-C130 PolarHBondContact O-N 3.04Å; T128-C130 PolarHBondContact O-N 3.09Å; C130-I132 PolarHBondContact O-N 3.34Å; C130-C133 PolarHBondContact O-N 2.79Å; C130-V134 WeakPolarHBondContact O-CG2 3.4Å; C130-V134 PolarHBondContact O-N 3.01Å
131	C	95.7	Very high	91.6	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.041	14%	0.138	C	C	.	.	H	α-helix	trans	-59.5	-47.2	176.6	-62.3	0	0	0	0	111.7	I55 L58 E127 T128 F129 C133 V134 T135	I55-C131 HydrophobicContact CD1-CB 3.57Å; L58-C131 HydrophobicContact CB-CB 3.82Å; L58-C131 HydrophobicContact CD1-CB 4.03Å; L58-C131 HydrophobicContact CG-CB 4.5Å; E127-C131 PolarHBondContact O-N 2.82Å; E127-C131 VanDerWaalsContact O-N 3.09Å; E127-C131 PolarHBondContact O-SG 3.16Å; T128-C131 PolarHBondContact O-N 3.28Å; F129-C131 VanDerWaalsContact C-N 3.35Å; F129-C131 PolarHBondContact O-N 3.35Å; C131-C133 PolarHBondContact O-N 2.91Å; C131-V134 PolarHBondContact O-N 3.43Å; C131-T135 PolarHBondContact O-N 3.44Å; C131-T135 PolarHBondContact O-OG1 3.49Å
132	I	95.4	Very high	91.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-45.3	178	-71.8	162.6	0	0	0	110.8	L90 F94 V110 F111 I114 I124 T128 F129 C130 T135 A136	L90-I132 HydrophobicContact CD1-CG2 4.18Å; L90-I132 HydrophobicContact CD2-CD1 4.5Å; L90-I132 HydrophobicContact CD2-CG2 3.9Å; F94-I132 HydrophobicContact CE1-CG2 3.77Å; F94-I132 HydrophobicContact CZ-CG2 3.5Å; V110-I132 HydrophobicContact CG1-CG2 3.9Å; F111-I132 HydrophobicContact CE2-CD1 3.63Å; F111-I132 HydrophobicContact CE2-CG1 4.19Å; F111-I132 HydrophobicContact CE2-CG2 4.47Å; F111-I132 HydrophobicContact CZ-CD1 3.95Å; I114-I132 HydrophobicContact CD1-CG1 3.99Å; I124-I132 HydrophobicContact CD1-CD1 3.66Å; I124-I132 HydrophobicContact CG2-CD1 4.39Å; T128-I132 HydrophobicContact CG2-CD1 3.91Å; T128-I132 WeakPolarHBondContact O-CD1 3.38Å; T128-I132 VanDerWaalsContact O-CG1 3.29Å; T128-I132 WeakPolarHBondContact O-CG1 3.45Å; T128-I132 PolarHBondContact O-N 3.33Å; F129-I132 PolarHBondContact O-N 3.02Å; C130-I132 PolarHBondContact O-N 3.34Å; I132-T135 PolarHBondContact O-N 3.37Å; I132-A136 VanDerWaalsContact O-CB 3.29Å; I132-A136 WeakPolarHBondContact O-CB 3.46Å; I132-A136 PolarHBondContact O-N 3.47Å
133	C	94.1	Very high	90.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-44	179.2	-69.8	0	0	0	0	112.3	Y72 I97 F129 C130 C131 T135 A136 E137	Y72-C133 HydrophobicContact CD1-CB 4.2Å; Y72-C133 HydrophobicContact CD2-CB 4.18Å; Y72-C133 HydrophobicContact CE1-CB 3.67Å; Y72-C133 HydrophobicContact CE2-CB 3.63Å; Y72-C133 HydrophobicContact CG-CB 4.43Å; I97-C133 HydrophobicContact CD1-CB 4.06Å; I97-C133 VanDerWaalsContact CD1-SG 3.57Å; F129-C133 VanDerWaalsContact CE2-SG 3.54Å; F129-C133 WeakPolarHBondContact CZ-SG 3.3Å; F129-C133 PolarHBondContact O-N 3.05Å; F129-C133 PolarHBondContact O-SG 3.49Å; C130-C133 PolarHBondContact O-N 2.79Å; C131-C133 PolarHBondContact O-N 2.91Å; C133-T135 VanDerWaalsContact C-N 3.33Å; C133-T135 PolarHBondContact O-N 2.92Å; C133-A136 PolarHBondContact O-N 3.39Å; C133-E137 WeakPolarHBondContact O-CB 3.47Å; C133-E137 WeakPolarHBondContact O-CG 3.29Å; C133-E137 PolarHBondContact O-N 3.21Å
134	V	92.5	Very high	90.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-45.1	175.5	164.1	0	0	0	0	111.4	F38 F40 A62 L64 Y72 C130 C131 R138	F38-V134 HydrophobicContact CB-CG2 3.96Å; F38-V134 HydrophobicContact CD1-CG2 4.31Å; F38-V134 HydrophobicContact CD2-CB 4.35Å; F38-V134 HydrophobicContact CD2-CG1 3.52Å; F38-V134 HydrophobicContact CD2-CG2 4.22Å; F38-V134 HydrophobicContact CE2-CG1 3.76Å; F38-V134 HydrophobicContact CG-CB 4.49Å; F38-V134 HydrophobicContact CG-CG1 4.09Å; F38-V134 HydrophobicContact CG-CG2 3.91Å; F40-V134 HydrophobicContact CE1-CG1 3.43Å; F40-V134 VanDerWaalsContact CE1-CG1 3.43Å; F40-V134 HydrophobicContact CE2-CG1 4.28Å; F40-V134 HydrophobicContact CZ-CG1 3.27Å; A62-V134 HydrophobicContact CB-CG1 4.26Å; L64-V134 HydrophobicContact CD2-CG2 3.69Å; L64-V134 HydrophobicContact CG-CG2 4.37Å; Y72-V134 HydrophobicContact CE2-CG2 3.99Å; Y72-V134 PolarHBondContact OH-N 3.01Å; C130-V134 WeakPolarHBondContact O-CG2 3.4Å; C130-V134 PolarHBondContact O-N 3.01Å; C131-V134 PolarHBondContact O-N 3.43Å; V134-R138 WeakPolarHBondContact O-CB 3.23Å; V134-R138 PolarHBondContact O-N 2.94Å
135	T	92	Very high	89.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.7	-47.6	175.5	-62.2	0	0	0	0	111.6	L58 V110 L113 I114 C131 I132 C133 E137 R138 L139 F182	L58-T135 WeakPolarHBondContact CD1-OG1 3.45Å; V110-T135 HydrophobicContact CG1-CG2 3.79Å; L113-T135 HydrophobicContact CB-CG2 4.41Å; I114-T135 HydrophobicContact CG2-CG2 3.69Å; I114-T135 WeakPolarHBondContact CG2-OG1 3.45Å; C131-T135 PolarHBondContact O-N 3.44Å; C131-T135 PolarHBondContact O-OG1 3.49Å; I132-T135 PolarHBondContact O-N 3.37Å; C133-T135 VanDerWaalsContact C-N 3.33Å; C133-T135 PolarHBondContact O-N 2.92Å; T135-E137 VanDerWaalsContact C-N 3.35Å; T135-E137 PolarHBondContact O-N 3.27Å; T135-R138 PolarHBondContact O-N 3.31Å; T135-L139 HydrophobicContact CG2-CD1 4.02Å; T135-L139 WeakPolarHBondContact O-CB 3.41Å; T135-L139 PolarHBondContact O-N 2.82Å; T135-F182 HydrophobicContact CG2-CE2 4.06Å
136	A	91.9	Very high	89	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-60.6	-46.2	-178.9	0	0	0	0	0	111	F94 V110 I132 C133 V140 F141	F94-A136 HydrophobicContact CE1-CB 4.02Å; F94-A136 HydrophobicContact CE2-CB 4.2Å; F94-A136 HydrophobicContact CZ-CB 3.76Å; V110-A136 HydrophobicContact CG1-CB 4.29Å; V110-A136 HydrophobicContact CG2-CB 3.65Å; I132-A136 VanDerWaalsContact O-CB 3.29Å; I132-A136 WeakPolarHBondContact O-CB 3.46Å; I132-A136 PolarHBondContact O-N 3.47Å; C133-A136 PolarHBondContact O-N 3.39Å; A136-V140 CarbonylContact O-C 3.52Å; A136-V140 WeakPolarHBondContact O-CA 3.15Å; A136-V140 WeakPolarHBondContact O-CB 3.18Å; A136-V140 PolarHBondContact O-N 3.12Å; A136-F141 HydrophobicContact CB-CD1 4.45Å; A136-F141 HydrophobicContact CB-CD2 4.42Å; A136-F141 HydrophobicContact CB-CE1 3.82Å; A136-F141 HydrophobicContact CB-CE2 3.79Å; A136-F141 HydrophobicContact CB-CZ 3.41Å; A136-F141 VanDerWaalsContact CB-CZ 3.41Å; A136-F141 PolarHBondContact O-N 3.26Å
137	E	88.5	Confident	88.4	Confident	34 Å²	34	30.2 Å²	30.2	16%	0.159	14%	0.144	C	C	.	.	I	π-helix	trans	-61.2	-47.1	176.9	-77.6	-168	-138.4	0	0	112.5	F38 K68 Y72 I97 C133 T135 F141 F142	F38-E137 HydrophobicContact CE1-CB 3.73Å; F38-E137 HydrophobicContact CZ-CB 3.82Å; K68-E137 WeakPolarHBondContact CE-OE1 3.49Å; K68-E137 VanDerWaalsContact CE-OE2 3.23Å; K68-E137 WeakPolarHBondContact CE-OE2 3.39Å; K68-E137 IonicContact NZ-OE1 2.82Å; K68-E137 PolarHBondContact NZ-OE1 3.34Å; K68-E137 IonicContact NZ-OE2 3.02Å; K68-E137 PolarHBondContact NZ-OE2 2.97Å; Y72-E137 WeakPolarHBondContact CE1-OE1 3.01Å; Y72-E137 PolarHBondContact OH-OE1 3.2Å; I97-E137 HydrophobicContact CG2-CG 3.84Å; I97-E137 WeakPolarHBondContact CG2-OE1 2.62Å; C133-E137 WeakPolarHBondContact O-CB 3.47Å; C133-E137 WeakPolarHBondContact O-CG 3.29Å; C133-E137 PolarHBondContact O-N 3.21Å; T135-E137 VanDerWaalsContact C-N 3.35Å; T135-E137 PolarHBondContact O-N 3.27Å; E137-F141 HydrophobicContact CB-CD2 4.31Å; E137-F141 HydrophobicContact CG-CD2 3.62Å; E137-F141 HydrophobicContact CG-CE2 3.99Å; E137-F142 PolarHBondContact O-N 3.4Å
138	R	84.4	Confident	87.6	Confident	18 Å²	18	27 Å²	27	7%	0.068	13%	0.132	C	C	.	.	I	π-helix	trans	-66.3	-47.8	-177.5	-178.9	59.2	66.5	121	12.1	112.3	F38 F40 V134 T135 N156 E159	F38-R138 HydrophobicContact CE2-CB 4.06Å; F38-R138 HydrophobicContact CZ-CB 4.14Å; F40-R138 HydrophobicContact CE2-CB 4.27Å; F40-R138 HydrophobicContact CE2-CG 3.99Å; F40-R138 HydrophobicContact CZ-CB 4.45Å; V134-R138 WeakPolarHBondContact O-CB 3.23Å; V134-R138 PolarHBondContact O-N 2.94Å; T135-R138 PolarHBondContact O-N 3.31Å; R138-N156 PolarHBondContact NE-ND2 2.87Å; R138-N156 VanDerWaalsContact NH1-CB 3.29Å; R138-N156 PolarHBondContact NH1-ND2 2.93Å; R138-N156 PolarHBondContact NH2-ND2 3.1Å; R138-N156 PolarHBondContact NH2-OD1 3.33Å; R138-E159 IonicContact CZ-OE1 2.8Å; R138-E159 IonicContact CZ-OE2 3.44Å; R138-E159 IonicContact NH1-OE1 2.82Å; R138-E159 PolarHBondContact NH1-OE1 3.2Å; R138-E159 VanDerWaalsContact NH2-CD 3.26Å; R138-E159 IonicContact NH2-OE1 2.73Å; R138-E159 PolarHBondContact NH2-OE1 2.87Å; R138-E159 IonicContact NH2-OE2 3.91Å; R138-E159 PolarHBondContact NH2-OE2 3.1Å
139	L	84.2	Confident	87	Confident	33 Å²	33	34.2 Å²	34.2	17%	0.173	17%	0.171	C	C	.	.	I	π-helix	trans	-105.4	-27.2	-164	-59.4	179.8	0	0	0	113.7	L113 T135 F182 L185	L113-L139 HydrophobicContact CD1-CB 4Å; L113-L139 HydrophobicContact CD1-CD1 3.94Å; T135-L139 HydrophobicContact CG2-CD1 4.02Å; T135-L139 WeakPolarHBondContact O-CB 3.41Å; T135-L139 PolarHBondContact O-N 2.82Å; L139-F182 HydrophobicContact CD1-CD2 4.31Å; L139-F182 HydrophobicContact CD1-CE2 3.89Å; L139-L185 HydrophobicContact CD1-CB 4.05Å; L139-L185 HydrophobicContact CD1-CD1 4.15Å; L139-L185 HydrophobicContact CD2-CB 3.89Å; L139-L185 WeakPolarHBondContact CD2-O 3.31Å
140	V	86.7	Confident	86	Confident	15 Å²	15	36.7 Å²	36.7	9%	0.091	18%	0.184	C	C	.	.	I	π-helix	trans	-110.7	-54.9	-171.8	-174.5	0	0	0	0	111.1	C106 V110 L113 A136 F142 K143 I144	C106-V140 VanDerWaalsContact SG-CG1 3.53Å; V110-V140 HydrophobicContact CG2-CG2 3.93Å; L113-V140 HydrophobicContact CD1-CG2 4.09Å; A136-V140 CarbonylContact O-C 3.52Å; A136-V140 WeakPolarHBondContact O-CA 3.15Å; A136-V140 WeakPolarHBondContact O-CB 3.18Å; A136-V140 PolarHBondContact O-N 3.12Å; V140-F142 VanDerWaalsContact C-N 3.32Å; V140-F142 PolarHBondContact O-N 3.1Å; V140-K143 WeakPolarHBondContact O-CB 3.34Å; V140-K143 PolarHBondContact O-N 3.09Å; V140-K143 VanDerWaalsContact O-N 3.08Å; V140-I144 HydrophobicContact CG1-CD1 3.89Å; V140-I144 HydrophobicContact CG1-CG1 4.42Å; V140-I144 WeakPolarHBondContact O-CG1 3.27Å; V140-I144 PolarHBondContact O-N 3.21Å
141	F	85.6	Confident	84.8	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.219	C	C	.	.	I	π-helix	trans	-68.9	-33	-174.7	-59.1	-12.3	0	0	0	112.3	F94 I97 V98 I102 A136 E137 K143 I144 M145	F94-F141 HydrophobicContact CB-CE1 4.24Å; F94-F141 HydrophobicContact CB-CE2 4.37Å; F94-F141 HydrophobicContact CB-CZ 3.56Å; F94-F141 HydrophobicContact CD1-CE2 4.47Å; F94-F141 AromaticContact CD1-CZ 3.82Å; F94-F141 HydrophobicContact CD1-CZ 3.82Å; F94-F141 HydrophobicContact CD2-CE1 4.08Å; F94-F141 AromaticContact CD2-CZ 3.75Å; F94-F141 HydrophobicContact CD2-CZ 3.75Å; F94-F141 HydrophobicContact CE1-CZ 4.31Å; F94-F141 HydrophobicContact CE2-CZ 4.24Å; F94-F141 HydrophobicContact CG-CE1 4.25Å; F94-F141 HydrophobicContact CG-CE2 4.46Å; F94-F141 AromaticContact CG-CZ 3.51Å; F94-F141 HydrophobicContact CG-CZ 3.51Å; F94-F141 HydrophobicContact CZ-CZ 4.49Å; I97-F141 HydrophobicContact CB-CE2 4.22Å; I97-F141 HydrophobicContact CD1-CE2 4.3Å; I97-F141 HydrophobicContact CG2-CD2 4.23Å; I97-F141 HydrophobicContact CG2-CE2 4.04Å; V98-F141 HydrophobicContact CG1-CB 3.76Å; V98-F141 HydrophobicContact CG1-CD1 4.5Å; V98-F141 HydrophobicContact CG1-CD2 3.22Å; V98-F141 HydrophobicContact CG1-CE2 3.96Å; V98-F141 HydrophobicContact CG1-CG 3.59Å; I102-F141 HydrophobicContact CD1-CD1 4.14Å; I102-F141 HydrophobicContact CD1-CE1 3.52Å; I102-F141 HydrophobicContact CD1-CE2 4.49Å; I102-F141 HydrophobicContact CD1-CZ 3.75Å; I102-F141 HydrophobicContact CG1-CE1 4.48Å; A136-F141 HydrophobicContact CB-CD1 4.45Å; A136-F141 HydrophobicContact CB-CD2 4.42Å; A136-F141 HydrophobicContact CB-CE1 3.82Å; A136-F141 HydrophobicContact CB-CE2 3.79Å; A136-F141 HydrophobicContact CB-CZ 3.41Å; A136-F141 VanDerWaalsContact CB-CZ 3.41Å; A136-F141 PolarHBondContact O-N 3.26Å; E137-F141 HydrophobicContact CB-CD2 4.31Å; E137-F141 HydrophobicContact CG-CD2 3.62Å; E137-F141 HydrophobicContact CG-CE2 3.99Å; F141-K143 VanDerWaalsContact C-N 3.27Å; F141-K143 PolarHBondContact O-N 3.29Å; F141-I144 HydrophobicContact CD1-CD1 4.25Å; F141-I144 PolarHBondContact O-N 3.22Å; F141-M145 WeakPolarHBondContact O-CB 3.22Å; F141-M145 VanDerWaalsContact O-CG 3.28Å; F141-M145 WeakPolarHBondContact O-CG 3.49Å; F141-M145 PolarHBondContact O-N 3.48Å
142	F	80.1	Confident	83.2	Confident	101 Å²	101	43.4 Å²	43.4	44%	0.443	23%	0.227	S	C	.	.	H	α-helix	trans	-51.9	-48.9	169.6	-176.8	-87.5	0	0	0	111.2	E137 V140 K146 I152	E137-F142 PolarHBondContact O-N 3.4Å; V140-F142 VanDerWaalsContact C-N 3.32Å; V140-F142 PolarHBondContact O-N 3.1Å; F142-K146 HydrophobicContact CE1-CD 4.48Å; F142-K146 WeakPolarHBondContact O-CB 3.09Å; F142-K146 PolarHBondContact O-N 3Å; F142-I152 HydrophobicContact CD1-CD1 4.23Å; F142-I152 HydrophobicContact CD2-CB 4.41Å; F142-I152 HydrophobicContact CD2-CD1 3.67Å; F142-I152 HydrophobicContact CD2-CG2 3.58Å; F142-I152 HydrophobicContact CE1-CD1 4.17Å; F142-I152 HydrophobicContact CE2-CB 4.03Å; F142-I152 HydrophobicContact CE2-CD1 3.6Å; F142-I152 HydrophobicContact CE2-CG1 4.41Å; F142-I152 HydrophobicContact CE2-CG2 3.51Å; F142-I152 HydrophobicContact CG-CD1 3.98Å; F142-I152 HydrophobicContact CZ-CD1 3.85Å; F142-I152 WeakPolarHBondContact O-CD1 3.32Å
143	K	81.1	Confident	81.5	Confident	59 Å²	59	46.2 Å²	46.2	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-47.2	177.7	177.7	169.1	170.4	43.1	0	111.8	L5 V140 F141 M145 K146 D147	L5-K143 HydrophobicContact CD2-CD 3.9Å; V140-K143 WeakPolarHBondContact O-CB 3.34Å; V140-K143 PolarHBondContact O-N 3.09Å; V140-K143 VanDerWaalsContact O-N 3.08Å; F141-K143 VanDerWaalsContact C-N 3.27Å; F141-K143 PolarHBondContact O-N 3.29Å; K143-M145 VanDerWaalsContact C-N 3.34Å; K143-M145 PolarHBondContact O-N 2.8Å; K143-K146 PolarHBondContact O-N 3.5Å; K143-D147 WeakPolarHBondContact CG-OD2 3.31Å; K143-D147 IonicContact NZ-OD1 2.77Å; K143-D147 IonicContact NZ-OD2 3.68Å; K143-D147 PolarHBondContact NZ-OD2 3.41Å; K143-D147 WeakPolarHBondContact O-CB 3.25Å; K143-D147 VanDerWaalsContact O-CG 3.25Å; K143-D147 PolarHBondContact O-N 3.4Å
144	I	82.1	Confident	79.5	Confident	15 Å²	15	51.5 Å²	51.5	8%	0.077	28%	0.283	C	S	.	.	H	α-helix	trans	-59.3	-44.2	179.5	-63.7	176.4	0	0	0	111.2	I18 V100 V140 F141 S148	I18-I144 HydrophobicContact CD1-CG2 3.61Å; I18-I144 HydrophobicContact CG1-CG2 4.33Å; V100-I144 HydrophobicContact CB-CG2 4.29Å; V100-I144 HydrophobicContact CG2-CG2 3.59Å; V140-I144 HydrophobicContact CG1-CD1 3.89Å; V140-I144 HydrophobicContact CG1-CG1 4.42Å; V140-I144 WeakPolarHBondContact O-CG1 3.27Å; V140-I144 PolarHBondContact O-N 3.21Å; F141-I144 HydrophobicContact CD1-CD1 4.25Å; F141-I144 PolarHBondContact O-N 3.22Å; I144-S148 WeakPolarHBondContact O-CB 3.43Å; I144-S148 PolarHBondContact O-N 2.55Å; I144-S148 PolarHBondContact O-OG 2.91Å
145	M	79.4	Confident	78	Confident	33 Å²	33	53.7 Å²	53.7	16%	0.163	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-42	177.5	-71.6	-173.6	-65.1	0	0	111.7	F141 K143 S148 N149 I150 I152	F141-M145 WeakPolarHBondContact O-CB 3.22Å; F141-M145 VanDerWaalsContact O-CG 3.28Å; F141-M145 WeakPolarHBondContact O-CG 3.49Å; F141-M145 PolarHBondContact O-N 3.48Å; K143-M145 VanDerWaalsContact C-N 3.34Å; K143-M145 PolarHBondContact O-N 2.8Å; M145-S148 CarbonylContact O-C 3.46Å; M145-S148 PolarHBondContact O-N 2.85Å; M145-N149 PolarHBondContact O-N 2.73Å; M145-I150 HydrophobicContact CB-CB 4.3Å; M145-I150 PolarHBondContact O-N 3.01Å; M145-I152 HydrophobicContact CB-CD1 4.04Å; M145-I152 HydrophobicContact CB-CG1 4Å; M145-I152 HydrophobicContact CE-CG1 4.45Å; M145-I152 HydrophobicContact CE-CG2 4.3Å
146	K	79.5	Confident	76.6	Confident	111 Å²	111	55.6 Å²	55.6	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-61.6	-48.9	176.8	-175.5	-178.6	176.2	-177	0	111.1	F142 K143 S148 N149 I152	F142-K146 HydrophobicContact CE1-CD 4.48Å; F142-K146 WeakPolarHBondContact O-CB 3.09Å; F142-K146 PolarHBondContact O-N 3Å; K143-K146 PolarHBondContact O-N 3.5Å; K146-S148 PolarHBondContact O-N 3.42Å; K146-N149 PolarHBondContact O-N 3.27Å; K146-I152 HydrophobicContact CB-CD1 3.84Å
147	D	81.2	Confident	75.3	Confident	90 Å²	90	60.7 Å²	60.7	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-63.8	-23.8	179	-66.5	-12.9	0	0	0	111.3	K143	K143-D147 WeakPolarHBondContact CG-OD2 3.31Å; K143-D147 IonicContact NZ-OD1 2.77Å; K143-D147 IonicContact NZ-OD2 3.68Å; K143-D147 PolarHBondContact NZ-OD2 3.41Å; K143-D147 WeakPolarHBondContact O-CB 3.25Å; K143-D147 VanDerWaalsContact O-CG 3.25Å; K143-D147 PolarHBondContact O-N 3.4Å
148	S	79.6	Confident	74.2	Confident	35 Å²	35	64.6 Å²	64.6	25%	0.245	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7.1	174.8	-54.5	0	0	0	0	114.5	I18 I144 M145 K146 I150	I18-S148 WeakPolarHBondContact CD1-OG 3.31Å; I18-S148 WeakPolarHBondContact CG2-OG 3.38Å; I144-S148 WeakPolarHBondContact O-CB 3.43Å; I144-S148 PolarHBondContact O-N 2.55Å; I144-S148 PolarHBondContact O-OG 2.91Å; M145-S148 CarbonylContact O-C 3.46Å; M145-S148 PolarHBondContact O-N 2.85Å; K146-S148 PolarHBondContact O-N 3.42Å; S148-I150 PolarHBondContact O-N 3.38Å
149	N	82	Confident	73.6	Confident	155 Å²	155	64.4 Å²	64.4	83%	0.829	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	28	-174.5	-62	-57.1	0	0	0	114.4	M145 K146	M145-N149 PolarHBondContact O-N 2.73Å; K146-N149 PolarHBondContact O-N 3.27Å
150	I	74.1	Confident	73.1	Confident	53 Å²	53	65.3 Å²	65.3	27%	0.272	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-85.9	131	174.4	-61.7	-179.2	0	0	0	108.3	P99 V100 M145 S148 I152	P99-I150 HydrophobicContact CG-CD1 3.94Å; V100-I150 HydrophobicContact CG1-CD1 3.22Å; M145-I150 HydrophobicContact CB-CB 4.3Å; M145-I150 PolarHBondContact O-N 3.01Å; S148-I150 PolarHBondContact O-N 3.38Å; I150-I152 WeakPolarHBondContact O-CG1 2.97Å; I150-I152 PolarHBondContact O-N 3.31Å
151	S	70.2	Confident	72.4	Confident	115 Å²	115	69 Å²	69	80%	0.804	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-61.5	125.6	177.4	-174.1	0	0	0	0	110.1
152	I	62.1	Low	71.8	Confident	41 Å²	41	73.5 Å²	73.5	21%	0.21	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-103.7	132.5	178.6	-49.3	172.7	0	0	0	108.7	F142 M145 K146 I150 S154	F142-I152 HydrophobicContact CD1-CD1 4.23Å; F142-I152 HydrophobicContact CD2-CB 4.41Å; F142-I152 HydrophobicContact CD2-CD1 3.67Å; F142-I152 HydrophobicContact CD2-CG2 3.58Å; F142-I152 HydrophobicContact CE1-CD1 4.17Å; F142-I152 HydrophobicContact CE2-CB 4.03Å; F142-I152 HydrophobicContact CE2-CD1 3.6Å; F142-I152 HydrophobicContact CE2-CG1 4.41Å; F142-I152 HydrophobicContact CE2-CG2 3.51Å; F142-I152 HydrophobicContact CG-CD1 3.98Å; F142-I152 HydrophobicContact CZ-CD1 3.85Å; F142-I152 WeakPolarHBondContact O-CD1 3.32Å; M145-I152 HydrophobicContact CB-CD1 4.04Å; M145-I152 HydrophobicContact CB-CG1 4Å; M145-I152 HydrophobicContact CE-CG1 4.45Å; M145-I152 HydrophobicContact CE-CG2 4.3Å; K146-I152 HydrophobicContact CB-CD1 3.84Å; I150-I152 WeakPolarHBondContact O-CG1 2.97Å; I150-I152 PolarHBondContact O-N 3.31Å; I152-S154 PolarHBondContact O-N 3.45Å
153	P	59.2	Low	71.6	Confident	59 Å²	59	68.8 Å²	68.8	38%	0.383	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61.9	129.8	175.9	-19	30.8	0	0	0	111.2	T31 K155	T31-P153 HydrophobicContact CG2-CG 4.48Å; T31-P153 WeakPolarHBondContact OG1-CG 3.49Å; P153-K155 PolarHBondContact O-N 2.96Å
154	S	53.2	Low	71.5	Confident	112 Å²	112	71.6 Å²	71.6	78%	0.783	39%	0.386	S	S	*	.			trans	-74.7	93.2	169.8	56.5	0	0	0	0	109.5	I152	I152-S154 PolarHBondContact O-N 3.45Å
155	K	61.2	Low	71.3	Confident	47 Å²	47	78.5 Å²	78.5	20%	0.204	41%	0.411	C	S	.	.			trans	-133.9	161.1	171.4	-72.2	174.8	177.2	-97.4	0	108.3	T31 T32 N33 P153	T31-K155 WeakPolarHBondContact O-CE 3.35Å; T32-K155 PolarHBondContact O-NZ 3.3Å; N33-K155 PolarHBondContact O-NZ 3.23Å; P153-K155 PolarHBondContact O-N 2.96Å
156	N	62.9	Low	71	Confident	40 Å²	40	77.9 Å²	77.9	21%	0.214	41%	0.409	C	S	.	.			trans	94.3	3.7	-179.5	-40.3	-35.9	0	0	0	116.4	R138 L158 E159 M160	R138-N156 PolarHBondContact NE-ND2 2.87Å; R138-N156 VanDerWaalsContact NH1-CB 3.29Å; R138-N156 PolarHBondContact NH1-ND2 2.93Å; R138-N156 PolarHBondContact NH2-ND2 3.1Å; R138-N156 PolarHBondContact NH2-OD1 3.33Å; N156-L158 PolarHBondContact O-N 3.43Å; N156-E159 PolarHBondContact O-N 2.81Å; N156-M160 WeakPolarHBondContact O-CB 3.44Å; N156-M160 VanDerWaalsContact O-CG 3.26Å; N156-M160 WeakPolarHBondContact O-CG 3.14Å; N156-M160 PolarHBondContact O-N 3.47Å
157	I	63.6	Low	70.9	Confident	108 Å²	108	75.6 Å²	75.6	55%	0.554	40%	0.399	S	S	*	.	H	α-helix	trans	-57.3	-45.3	179.3	-61.8	174.2	0	0	0	112.1	M160 I161	I157-M160 PolarHBondContact O-N 2.89Å; I157-I161 HydrophobicContact CG2-CD1 3.72Å; I157-I161 HydrophobicContact CG2-CG1 4.38Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 3.47Å
158	L	65.3	Low	70.5	Confident	116 Å²	116	75.6 Å²	75.6	61%	0.607	41%	0.406	S	S	*	.	H	α-helix	trans	-66.2	-41.6	-179.4	-69.5	176.9	0	0	0	112.6	N156 I161 E162	N156-L158 PolarHBondContact O-N 3.43Å; L158-I161 PolarHBondContact O-N 3.13Å; L158-E162 PolarHBondContact O-N 3.41Å
159	E	73.1	Confident	70.3	Confident	14 Å²	14	79 Å²	79	7%	0.065	42%	0.418	C	S	.	.	H	α-helix	trans	-60.3	-48.7	174.9	179.7	-159.1	90	0	0	110.7	W39 F40 R138 N156 I161 E162 I163	W39-E159 WeakPolarHBondContact CA-OE2 3.37Å; W39-E159 VanDerWaalsContact CB-OE2 3.28Å; W39-E159 WeakPolarHBondContact CB-OE2 3.28Å; F40-E159 PolarHBondContact N-OE2 3.35Å; R138-E159 IonicContact CZ-OE1 2.8Å; R138-E159 IonicContact CZ-OE2 3.44Å; R138-E159 IonicContact NH1-OE1 2.82Å; R138-E159 PolarHBondContact NH1-OE1 3.2Å; R138-E159 VanDerWaalsContact NH2-CD 3.26Å; R138-E159 IonicContact NH2-OE1 2.73Å; R138-E159 PolarHBondContact NH2-OE1 2.87Å; R138-E159 IonicContact NH2-OE2 3.91Å; R138-E159 PolarHBondContact NH2-OE2 3.1Å; N156-E159 PolarHBondContact O-N 2.81Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 2.86Å; E159-E162 PolarHBondContact O-N 3.3Å; E159-E162 VanDerWaalsContact O-N 3.13Å; E159-I163 HydrophobicContact CG-CD1 3.88Å; E159-I163 WeakPolarHBondContact O-CG1 2.9Å; E159-I163 PolarHBondContact O-N 3.13Å
160	M	72.5	Confident	70.1	Confident	51 Å²	51	71.7 Å²	71.7	25%	0.251	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-43.2	178.1	-69.2	171.7	82.3	0	0	111.4	N156 I157 E162 I163 Q164 L187	N156-M160 WeakPolarHBondContact O-CB 3.44Å; N156-M160 VanDerWaalsContact O-CG 3.26Å; N156-M160 WeakPolarHBondContact O-CG 3.14Å; N156-M160 PolarHBondContact O-N 3.47Å; I157-M160 PolarHBondContact O-N 2.89Å; M160-E162 VanDerWaalsContact C-N 3.31Å; M160-E162 PolarHBondContact O-N 2.76Å; M160-I163 PolarHBondContact O-N 3.3Å; M160-Q164 WeakPolarHBondContact O-CB 3.38Å; M160-Q164 PolarHBondContact O-N 3.2Å; M160-L187 WeakPolarHBondContact CE-O 3.26Å
161	I	71.8	Confident	70.1	Confident	92 Å²	92	72.6 Å²	72.6	47%	0.472	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-41.7	176.1	-70.5	166.3	0	0	0	110.9	I157 L158 E159 R165	I157-I161 HydrophobicContact CG2-CD1 3.72Å; I157-I161 HydrophobicContact CG2-CG1 4.38Å; I157-I161 WeakPolarHBondContact O-CG1 3.44Å; I157-I161 PolarHBondContact O-N 3.47Å; L158-I161 PolarHBondContact O-N 3.13Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 PolarHBondContact O-N 2.86Å; I161-R165 VanDerWaalsContact O-CB 3.31Å; I161-R165 WeakPolarHBondContact O-CB 2.94Å; I161-R165 PolarHBondContact O-N 3.25Å
162	E	74	Confident	70.7	Confident	96 Å²	96	75.2 Å²	75.2	45%	0.449	39%	0.386	S	S	.	.	H	α-helix	trans	-66.3	-47.7	179.2	179.9	163.2	-152.9	0	0	112.2	L158 E159 M160 Q164 R165 L166	L158-E162 PolarHBondContact O-N 3.41Å; E159-E162 PolarHBondContact O-N 3.3Å; E159-E162 VanDerWaalsContact O-N 3.13Å; M160-E162 VanDerWaalsContact C-N 3.31Å; M160-E162 PolarHBondContact O-N 2.76Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.18Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 IonicContact OE1-NH2 3.78Å; E162-L166 HydrophobicContact CG-CD1 4.18Å; E162-L166 WeakPolarHBondContact O-CG 3.39Å; E162-L166 PolarHBondContact O-N 3.47Å; E162-L166 VanDerWaalsContact O-N 3.1Å
163	I	76.3	Confident	71.8	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.015	38%	0.384	C	S	.	.	H	α-helix	trans	-64.1	-40.5	177.3	-61.3	172.3	0	0	0	109.8	F40 L42 E159 M160 R165 L166 Q167 I186 L187	F40-I163 HydrophobicContact CB-CD1 4.23Å; L42-I163 HydrophobicContact CD1-CG1 4.3Å; L42-I163 HydrophobicContact CD1-CG2 4.33Å; E159-I163 HydrophobicContact CG-CD1 3.88Å; E159-I163 WeakPolarHBondContact O-CG1 2.9Å; E159-I163 PolarHBondContact O-N 3.13Å; M160-I163 PolarHBondContact O-N 3.3Å; I163-R165 PolarHBondContact O-N 3.02Å; I163-L166 CarbonylContact O-C 3.51Å; I163-L166 PolarHBondContact O-N 3.08Å; I163-L166 VanDerWaalsContact O-N 3.1Å; I163-Q167 PolarHBondContact O-N 3.37Å; I163-I186 HydrophobicContact CD1-CB 4.47Å; I163-I186 HydrophobicContact CD1-CG2 3.47Å; I163-I186 VanDerWaalsContact CD1-CG2 3.47Å; I163-L187 HydrophobicContact CB-CD2 3.6Å; I163-L187 HydrophobicContact CB-CG 4.43Å; I163-L187 HydrophobicContact CG2-CD1 4.14Å; I163-L187 HydrophobicContact CG2-CD2 3.45Å; I163-L187 VanDerWaalsContact CG2-CD2 3.45Å; I163-L187 HydrophobicContact CG2-CG 3.74Å
164	Q	78.7	Confident	73.1	Confident	118 Å²	118	78.6 Å²	78.6	55%	0.551	40%	0.401	S	S	*	.	H	α-helix	trans	-64.8	-41	178.7	-173.1	179.2	14.5	0	0	111.1	M160 E162 L166 Q167 L187	M160-Q164 WeakPolarHBondContact O-CB 3.38Å; M160-Q164 PolarHBondContact O-N 3.2Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.18Å; Q164-L166 PolarHBondContact O-N 3.39Å; Q164-Q167 VanDerWaalsContact O-CB 3.25Å; Q164-Q167 WeakPolarHBondContact O-CB 3.22Å; Q164-Q167 PolarHBondContact O-N 2.83Å; Q164-L187 HydrophobicContact CB-CD2 3.95Å
165	R	77	Confident	74.7	Confident	160 Å²	160	73.8 Å²	73.8	60%	0.604	37%	0.367	S	S	*	.	H	α-helix	trans	-59.4	-38.4	173.7	-176	-173.8	67.7	178	-3.2	111.3	I161 E162 I163	I161-R165 VanDerWaalsContact O-CB 3.31Å; I161-R165 WeakPolarHBondContact O-CB 2.94Å; I161-R165 PolarHBondContact O-N 3.25Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 IonicContact OE1-NH2 3.78Å; I163-R165 PolarHBondContact O-N 3.02Å
166	L	73.7	Confident	75.8	Confident	20 Å²	20	75 Å²	75	11%	0.105	38%	0.376	C	S	.	.	H	α-helix	trans	-82.6	-13.4	-179.4	-65.2	172.3	0	0	0	113.1	L42 E162 I163 Q164 C168 Q169 Y170	L42-L166 HydrophobicContact CB-CD1 4.04Å; L42-L166 HydrophobicContact CD1-CB 3.66Å; L42-L166 HydrophobicContact CD1-CD1 3.48Å; L42-L166 VanDerWaalsContact CD1-CD1 3.48Å; L42-L166 HydrophobicContact CD1-CG 4.2Å; L42-L166 HydrophobicContact CG-CD1 4.35Å; E162-L166 HydrophobicContact CG-CD1 4.18Å; E162-L166 WeakPolarHBondContact O-CG 3.39Å; E162-L166 PolarHBondContact O-N 3.47Å; E162-L166 VanDerWaalsContact O-N 3.1Å; I163-L166 CarbonylContact O-C 3.51Å; I163-L166 PolarHBondContact O-N 3.08Å; I163-L166 VanDerWaalsContact O-N 3.1Å; Q164-L166 PolarHBondContact O-N 3.39Å; L166-C168 VanDerWaalsContact C-N 3.26Å; L166-C168 PolarHBondContact O-N 3.44Å; L166-Q169 WeakPolarHBondContact O-CA 3.49Å; L166-Q169 WeakPolarHBondContact O-CB 3.5Å; L166-Q169 PolarHBondContact O-N 3.28Å; L166-Y170 WeakPolarHBondContact O-CD1 3.32Å; L166-Y170 PolarHBondContact O-N 3.37Å
167	Q	77.6	Confident	76.9	Confident	62 Å²	62	81.3 Å²	81.3	29%	0.29	40%	0.401	S	S	.	.	H	α-helix	trans	-55.3	-40.1	173.2	-171.8	171.6	35.5	0	0	112.8	I163 Q164 Q169 Y170 T171 D184 L187	I163-Q167 PolarHBondContact O-N 3.37Å; Q164-Q167 VanDerWaalsContact O-CB 3.25Å; Q164-Q167 WeakPolarHBondContact O-CB 3.22Å; Q164-Q167 PolarHBondContact O-N 2.83Å; Q167-Q169 PolarHBondContact O-N 3.45Å; Q167-Y170 HydrophobicContact CB-CE1 3.79Å; Q167-Y170 HydrophobicContact CB-CE2 4.45Å; Q167-Y170 HydrophobicContact CG-CE1 4.2Å; Q167-Y170 HydrophobicContact CG-CE2 3.99Å; Q167-Y170 VanDerWaalsContact CG-OH 3.31Å; Q167-Y170 WeakPolarHBondContact CG-OH 3.5Å; Q167-Y170 PolarHBondContact O-N 3.04Å; Q167-T171 HydrophobicContact CG-CG2 4.21Å; Q167-T171 WeakPolarHBondContact O-CB 3.47Å; Q167-T171 WeakPolarHBondContact O-CG2 3.44Å; Q167-T171 PolarHBondContact O-N 2.59Å; Q167-T171 PolarHBondContact O-OG1 3.29Å; Q167-D184 PolarHBondContact NE2-OD1 3.29Å; Q167-L187 HydrophobicContact CB-CD1 4.43Å; Q167-L187 HydrophobicContact CG-CD1 4.4Å
168	C	72.2	Confident	78.1	Confident	91 Å²	91	79.9 Å²	79.9	62%	0.615	40%	0.395	S	S	*	.	H	α-helix	trans	-62.3	-23.7	173.7	-65.3	0	0	0	0	113.6	L166 T171	L166-C168 VanDerWaalsContact C-N 3.26Å; L166-C168 PolarHBondContact O-N 3.44Å; C168-T171 PolarHBondContact O-OG1 2.74Å
169	Q	76.3	Confident	79.2	Confident	107 Å²	107	74.3 Å²	74.3	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-89.8	-45	-180	-60.2	-176.3	-6.6	0	0	111.4	L46 L166 Q167 T171 Q172	L46-Q169 HydrophobicContact CD1-CB 3.62Å; L166-Q169 WeakPolarHBondContact O-CA 3.49Å; L166-Q169 WeakPolarHBondContact O-CB 3.5Å; L166-Q169 PolarHBondContact O-N 3.28Å; Q167-Q169 PolarHBondContact O-N 3.45Å; Q169-T171 VanDerWaalsContact C-N 3.34Å; Q169-T171 PolarHBondContact O-N 3.48Å; Q169-Q172 PolarHBondContact O-N 2.97Å
170	Y	76.8	Confident	79.9	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-79.1	-16.3	-178.9	72.5	-114.8	0	0	0	113.8	L166 Q167 Q172 L173 L175 D184 L187	L166-Y170 WeakPolarHBondContact O-CD1 3.32Å; L166-Y170 PolarHBondContact O-N 3.37Å; Q167-Y170 HydrophobicContact CB-CE1 3.79Å; Q167-Y170 HydrophobicContact CB-CE2 4.45Å; Q167-Y170 HydrophobicContact CG-CE1 4.2Å; Q167-Y170 HydrophobicContact CG-CE2 3.99Å; Q167-Y170 VanDerWaalsContact CG-OH 3.31Å; Q167-Y170 WeakPolarHBondContact CG-OH 3.5Å; Q167-Y170 PolarHBondContact O-N 3.04Å; Y170-Q172 PolarHBondContact O-N 2.84Å; Y170-L173 WeakPolarHBondContact O-CB 3.41Å; Y170-L173 PolarHBondContact O-N 3.47Å; Y170-L175 HydrophobicContact CD2-CD1 3.63Å; Y170-L175 HydrophobicContact CE2-CD1 4.43Å; Y170-L175 HydrophobicContact CG-CD1 4.15Å; Y170-D184 PolarHBondContact OH-OD1 3.04Å; Y170-L187 WeakPolarHBondContact OH-CD1 3.36Å
171	T	75.4	Confident	80.6	Confident	73 Å²	73	78.8 Å²	78.8	45%	0.448	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.2	170.7	40.4	0	0	0	0	112.8	Q167 C168 Q169	Q167-T171 HydrophobicContact CG-CG2 4.21Å; Q167-T171 WeakPolarHBondContact O-CB 3.47Å; Q167-T171 WeakPolarHBondContact O-CG2 3.44Å; Q167-T171 PolarHBondContact O-N 2.59Å; Q167-T171 PolarHBondContact O-OG1 3.29Å; C168-T171 PolarHBondContact O-OG1 2.74Å; Q169-T171 VanDerWaalsContact C-N 3.34Å; Q169-T171 PolarHBondContact O-N 3.48Å
172	Q	81.3	Confident	81.4	Confident	170 Å²	170	74.4 Å²	74.4	79%	0.794	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.9	176.3	-57.8	-179.4	3.4	0	0	113.4	Q169 Y170	Q169-Q172 PolarHBondContact O-N 2.97Å; Y170-Q172 PolarHBondContact O-N 2.84Å
173	L	85.4	Confident	82.1	Confident	32 Å²	32	69.8 Å²	69.8	17%	0.168	34%	0.339	C	S	.	.	S	Bend	trans	-89.9	152.5	-179.8	-60.6	177.7	0	0	0	111.5	L46 R47 E50 Y170 L175 R180	L46-L173 HydrophobicContact CB-CD1 3.49Å; L46-L173 VanDerWaalsContact CB-CD1 3.49Å; L46-L173 WeakPolarHBondContact O-CD1 3.5Å; R47-L173 HydrophobicContact CG-CD2 4Å; E50-L173 HydrophobicContact CG-CB 4.21Å; Y170-L173 WeakPolarHBondContact O-CB 3.41Å; Y170-L173 PolarHBondContact O-N 3.47Å; L173-L175 HydrophobicContact CB-CD2 3.97Å; L173-L175 HydrophobicContact CB-CG 4.13Å; L173-L175 HydrophobicContact CD1-CD2 4.32Å; L173-L175 PolarHBondContact O-N 2.9Å; L173-R180 PolarHBondContact O-NH2 2.81Å
174	N	87	Confident	82.4	Confident	138 Å²	138	72.5 Å²	72.5	74%	0.738	35%	0.353	S	S	*	.			trans	-85.7	59	176.4	-162.1	17.4	0	0	0	111.1	E50	E50-N174 PolarHBondContact OE1-N 3.08Å
175	L	86.4	Confident	82.6	Confident	11 Å²	11	67.3 Å²	67.3	6%	0.058	33%	0.329	C	S	.	.			trans	-61.6	139.1	-179.4	-60.6	-174.8	0	0	0	112.2	L49 E50 Y170 L173 K177 I179 R180 L183	L49-L175 HydrophobicContact CB-CD2 3.54Å; E50-L175 HydrophobicContact CG-CD2 4.27Å; Y170-L175 HydrophobicContact CD2-CD1 3.63Å; Y170-L175 HydrophobicContact CE2-CD1 4.43Å; Y170-L175 HydrophobicContact CG-CD1 4.15Å; L173-L175 HydrophobicContact CB-CD2 3.97Å; L173-L175 HydrophobicContact CB-CG 4.13Å; L173-L175 HydrophobicContact CD1-CD2 4.32Å; L173-L175 PolarHBondContact O-N 2.9Å; L175-K177 PolarHBondContact O-N 2.99Å; L175-I179 HydrophobicContact CD1-CG2 4.44Å; L175-R180 HydrophobicContact CB-CB 4.12Å; L175-R180 HydrophobicContact CD1-CB 4.29Å; L175-L183 HydrophobicContact CD1-CD1 4.31Å
176	N	84.7	Confident	82.8	Confident	73 Å²	73	59.7 Å²	59.7	39%	0.39	30%	0.3	S	S	.	.			trans	-52.4	135.9	164.1	-177.9	-45	0	0	0	110	N178 I179 R180	N176-N178 PolarHBondContact O-N 2.77Å; N176-N178 VanDerWaalsContact O-N 3.13Å; N176-N178 PolarHBondContact OD1-N 3.05Å; N176-I179 PolarHBondContact O-N 2.82Å; N176-I179 VanDerWaalsContact O-N 3.12Å; N176-R180 PolarHBondContact O-N 2.87Å
177	K	87	Confident	82.7	Confident	172 Å²	172	60.2 Å²	60.2	75%	0.748	30%	0.303	S	S	*	.	H	α-helix	trans	-49.3	-40.4	-179.6	-175	-177.7	175.7	-174	0	112.9	L175 H181	L175-K177 PolarHBondContact O-N 2.99Å; K177-H181 VanDerWaalsContact O-CB 3.23Å; K177-H181 WeakPolarHBondContact O-CB 3.38Å; K177-H181 PolarHBondContact O-N 3.25Å
178	N	87	Confident	82	Confident	78 Å²	78	63 Å²	63	42%	0.417	32%	0.319	S	S	.	.	H	α-helix	trans	-69.4	-44.5	-177.9	-66.1	-12	0	0	0	111.8	V54 N176 H181 F182	V54-N178 HydrophobicContact CG2-CB 3.87Å; N176-N178 PolarHBondContact O-N 2.77Å; N176-N178 VanDerWaalsContact O-N 3.13Å; N176-N178 PolarHBondContact OD1-N 3.05Å; N178-H181 PolarHBondContact O-N 3.22Å; N178-F182 VanDerWaalsContact O-CB 3.31Å; N178-F182 WeakPolarHBondContact O-CB 3.47Å; N178-F182 PolarHBondContact O-N 3.19Å
179	I	90	Very high	82.5	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-46.6	175.3	-78.6	-71.7	0	0	0	110.7	L49 M52 V54 Y57 L175 N176 H181 F182 L183	L49-I179 HydrophobicContact CB-CG2 4.29Å; M52-I179 WeakPolarHBondContact O-CG1 3.47Å; V54-I179 HydrophobicContact CB-CD1 4.31Å; V54-I179 HydrophobicContact CG2-CD1 4.01Å; V54-I179 HydrophobicContact CG2-CG1 4.26Å; Y57-I179 HydrophobicContact CG-CD1 4.22Å; L175-I179 HydrophobicContact CD1-CG2 4.44Å; N176-I179 PolarHBondContact O-N 2.82Å; N176-I179 VanDerWaalsContact O-N 3.12Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 PolarHBondContact O-N 2.62Å; I179-F182 PolarHBondContact O-N 3.21Å; I179-L183 HydrophobicContact CG2-CD1 3.84Å; I179-L183 HydrophobicContact CG2-CG 4.26Å; I179-L183 WeakPolarHBondContact O-CG 3.4Å; I179-L183 PolarHBondContact O-N 3.25Å
180	R	87.7	Confident	82.8	Confident	73 Å²	73	59.3 Å²	59.3	28%	0.275	29%	0.294	S	S	.	.	H	α-helix	trans	-56.5	-51.2	177.9	-179.6	177.9	-67.2	-90.9	0.8	110.9	L173 L175 N176 F182 L183 D184	L173-R180 PolarHBondContact O-NH2 2.81Å; L175-R180 HydrophobicContact CB-CB 4.12Å; L175-R180 HydrophobicContact CD1-CB 4.29Å; N176-R180 PolarHBondContact O-N 2.87Å; R180-F182 VanDerWaalsContact C-N 3.31Å; R180-F182 PolarHBondContact O-N 3Å; R180-L183 PolarHBondContact O-N 3.4Å; R180-D184 WeakPolarHBondContact O-CB 3.49Å; R180-D184 VanDerWaalsContact O-CG 3.28Å; R180-D184 PolarHBondContact O-N 2.87Å
181	H	86.4	Confident	83.1	Confident	85 Å²	85	62.6 Å²	62.6	39%	0.394	31%	0.311	S	S	.	.	H	α-helix	trans	-58	-44.4	177.8	-179.1	60	0	0	0	111.9	K177 N178 I179 D184 L185	K177-H181 VanDerWaalsContact O-CB 3.23Å; K177-H181 WeakPolarHBondContact O-CB 3.38Å; K177-H181 PolarHBondContact O-N 3.25Å; N178-H181 PolarHBondContact O-N 3.22Å; I179-H181 VanDerWaalsContact C-N 3.34Å; I179-H181 PolarHBondContact O-N 2.62Å; H181-D184 PolarHBondContact O-N 3.2Å; H181-L185 WeakPolarHBondContact NE2-CD1 3.18Å; H181-L185 WeakPolarHBondContact O-CB 3.24Å; H181-L185 VanDerWaalsContact O-CG 3.29Å; H181-L185 WeakPolarHBondContact O-CG 3.16Å; H181-L185 PolarHBondContact O-N 2.96Å
182	F	89.5	Confident	83.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-42.4	178.9	-174.6	-105.5	0	0	0	113.3	F40 V54 Y57 L58 I114 T135 L139 N178 I179 R180 L185 I186	F40-F182 HydrophobicContact CE1-CZ 4.34Å; F40-F182 HydrophobicContact CZ-CZ 4.45Å; V54-F182 HydrophobicContact CG1-CB 3.87Å; V54-F182 HydrophobicContact CG1-CD1 3.56Å; V54-F182 HydrophobicContact CG1-CD2 3.72Å; V54-F182 HydrophobicContact CG1-CE1 4.02Å; V54-F182 HydrophobicContact CG1-CE2 4.21Å; V54-F182 HydrophobicContact CG1-CG 3.4Å; V54-F182 HydrophobicContact CG1-CZ 4.37Å; V54-F182 HydrophobicContact CG2-CB 4.04Å; V54-F182 HydrophobicContact CG2-CG 4.49Å; Y57-F182 HydrophobicContact CD1-CD1 4.02Å; Y57-F182 AromaticContact CD1-CE1 3.82Å; Y57-F182 HydrophobicContact CD1-CE1 3.82Å; Y57-F182 HydrophobicContact CE1-CD1 4.12Å; Y57-F182 AromaticContact CE1-CE1 3.76Å; Y57-F182 HydrophobicContact CE1-CE1 3.76Å; L58-F182 HydrophobicContact CD1-CZ 4.32Å; L58-F182 HydrophobicContact CD2-CE1 3.73Å; L58-F182 HydrophobicContact CD2-CZ 3.61Å; L58-F182 HydrophobicContact CG-CE1 4.17Å; L58-F182 HydrophobicContact CG-CZ 4.22Å; I114-F182 HydrophobicContact CG2-CD2 4.24Å; I114-F182 HydrophobicContact CG2-CE2 3.98Å; T135-F182 HydrophobicContact CG2-CE2 4.06Å; L139-F182 HydrophobicContact CD1-CD2 4.31Å; L139-F182 HydrophobicContact CD1-CE2 3.89Å; N178-F182 VanDerWaalsContact O-CB 3.31Å; N178-F182 WeakPolarHBondContact O-CB 3.47Å; N178-F182 PolarHBondContact O-N 3.19Å; I179-F182 PolarHBondContact O-N 3.21Å; R180-F182 VanDerWaalsContact C-N 3.31Å; R180-F182 PolarHBondContact O-N 3Å; F182-L185 WeakPolarHBondContact O-CB 3.03Å; F182-L185 PolarHBondContact O-N 3.3Å; F182-I186 HydrophobicContact CD1-CD1 3.76Å; F182-I186 HydrophobicContact CE1-CD1 3.32Å; F182-I186 HydrophobicContact CE1-CG1 4.09Å; F182-I186 HydrophobicContact CZ-CD1 3.84Å; F182-I186 HydrophobicContact CZ-CG1 4.16Å; F182-I186 WeakPolarHBondContact O-CG1 3.16Å; F182-I186 PolarHBondContact O-N 3.34Å; F182-I186 VanDerWaalsContact O-N 3.12Å
183	L	87.2	Confident	83.7	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-40.4	176.8	-68.4	177.3	0	0	0	111.9	L42 L49 Y57 L175 I179 R180 L185 I186	L42-L183 HydrophobicContact CD2-CD1 4.27Å; L42-L183 HydrophobicContact CD2-CD2 3.91Å; L49-L183 HydrophobicContact CD1-CD1 4.12Å; Y57-L183 HydrophobicContact CE1-CD2 4.1Å; Y57-L183 HydrophobicContact CE2-CD2 4.07Å; L175-L183 HydrophobicContact CD1-CD1 4.31Å; I179-L183 HydrophobicContact CG2-CD1 3.84Å; I179-L183 HydrophobicContact CG2-CG 4.26Å; I179-L183 WeakPolarHBondContact O-CG 3.4Å; I179-L183 PolarHBondContact O-N 3.25Å; R180-L183 PolarHBondContact O-N 3.4Å; L183-L185 PolarHBondContact O-N 3.22Å; L183-I186 HydrophobicContact CD2-CD1 4.28Å; L183-I186 PolarHBondContact O-N 3Å
184	D	83.3	Confident	83.6	Confident	59 Å²	59	56.7 Å²	56.7	32%	0.316	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-31.1	175.9	-68	-26	0	0	0	111.6	Q167 Y170 R180 H181 L187	Q167-D184 PolarHBondContact NE2-OD1 3.29Å; Y170-D184 PolarHBondContact OH-OD1 3.04Å; R180-D184 WeakPolarHBondContact O-CB 3.49Å; R180-D184 VanDerWaalsContact O-CG 3.28Å; R180-D184 PolarHBondContact O-N 2.87Å; H181-D184 PolarHBondContact O-N 3.2Å; D184-L187 PolarHBondContact O-N 3.4Å
185	L	82.9	Confident	83.4	Confident	9 Å²	9	50.9 Å²	50.9	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-69.7	-36.3	173.6	-80.7	167.7	0	0	0	113.5	F4 L113 L139 H181 F182 L183 L187 L188	F4-L185 HydrophobicContact CE1-CD2 3.48Å; F4-L185 VanDerWaalsContact CE1-CD2 3.48Å; F4-L185 HydrophobicContact CZ-CD2 3.36Å; F4-L185 HydrophobicContact CZ-CG 4.43Å; L113-L185 HydrophobicContact CD2-CD1 3.67Å; L139-L185 HydrophobicContact CD1-CB 4.05Å; L139-L185 HydrophobicContact CD1-CD1 4.15Å; L139-L185 HydrophobicContact CD2-CB 3.89Å; L139-L185 WeakPolarHBondContact CD2-O 3.31Å; H181-L185 WeakPolarHBondContact NE2-CD1 3.18Å; H181-L185 WeakPolarHBondContact O-CB 3.24Å; H181-L185 VanDerWaalsContact O-CG 3.29Å; H181-L185 WeakPolarHBondContact O-CG 3.16Å; H181-L185 PolarHBondContact O-N 2.96Å; F182-L185 WeakPolarHBondContact O-CB 3.03Å; F182-L185 PolarHBondContact O-N 3.3Å; L183-L185 PolarHBondContact O-N 3.22Å; L185-L187 PolarHBondContact O-N 2.74Å; L185-L188 HydrophobicContact CD2-CD1 4.05Å; L185-L188 PolarHBondContact O-N 2.9Å
186	I	80.5	Confident	83.2	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-25.5	177.1	-68.1	162.8	0	0	0	111.5	F40 Y57 I163 F182 L183 L188	F40-I186 HydrophobicContact CB-CD1 4.38Å; F40-I186 HydrophobicContact CD1-CD1 4.09Å; F40-I186 HydrophobicContact CD2-CB 4.49Å; F40-I186 HydrophobicContact CD2-CD1 3.94Å; F40-I186 HydrophobicContact CD2-CG1 4.02Å; F40-I186 HydrophobicContact CD2-CG2 3.58Å; F40-I186 HydrophobicContact CE1-CD1 4.34Å; F40-I186 HydrophobicContact CE2-CD1 4.19Å; F40-I186 HydrophobicContact CE2-CG1 3.98Å; F40-I186 HydrophobicContact CE2-CG2 4.11Å; F40-I186 HydrophobicContact CG-CD1 3.86Å; F40-I186 HydrophobicContact CG-CG1 4.45Å; F40-I186 HydrophobicContact CG-CG2 4.28Å; F40-I186 HydrophobicContact CZ-CD1 4.37Å; F40-I186 HydrophobicContact CZ-CG1 4.39Å; Y57-I186 HydrophobicContact CE1-CD1 4.16Å; I163-I186 HydrophobicContact CD1-CB 4.47Å; I163-I186 HydrophobicContact CD1-CG2 3.47Å; I163-I186 VanDerWaalsContact CD1-CG2 3.47Å; F182-I186 HydrophobicContact CD1-CD1 3.76Å; F182-I186 HydrophobicContact CE1-CD1 3.32Å; F182-I186 HydrophobicContact CE1-CG1 4.09Å; F182-I186 HydrophobicContact CZ-CD1 3.84Å; F182-I186 HydrophobicContact CZ-CG1 4.16Å; F182-I186 WeakPolarHBondContact O-CG1 3.16Å; F182-I186 PolarHBondContact O-N 3.34Å; F182-I186 VanDerWaalsContact O-N 3.12Å; L183-I186 HydrophobicContact CD2-CD1 4.28Å; L183-I186 PolarHBondContact O-N 3Å; I186-L188 VanDerWaalsContact C-N 3.29Å; I186-L188 PolarHBondContact O-N 3.4Å
187	L	71.4	Confident	83	Confident	31 Å²	31	52.4 Å²	52.4	16%	0.162	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-5.2	-179.9	-71.3	176	0	0	0	114.9	M160 I163 Q164 Q167 Y170 D184 L185	M160-L187 WeakPolarHBondContact CE-O 3.26Å; I163-L187 HydrophobicContact CB-CD2 3.6Å; I163-L187 HydrophobicContact CB-CG 4.43Å; I163-L187 HydrophobicContact CG2-CD1 4.14Å; I163-L187 HydrophobicContact CG2-CD2 3.45Å; I163-L187 VanDerWaalsContact CG2-CD2 3.45Å; I163-L187 HydrophobicContact CG2-CG 3.74Å; Q164-L187 HydrophobicContact CB-CD2 3.95Å; Q167-L187 HydrophobicContact CB-CD1 4.43Å; Q167-L187 HydrophobicContact CG-CD1 4.4Å; Y170-L187 WeakPolarHBondContact OH-CD1 3.36Å; D184-L187 PolarHBondContact O-N 3.4Å; L185-L187 PolarHBondContact O-N 2.74Å
188	L	63.7	Low	82.7	Confident	122 Å²	122	41.5 Å²	41.5	64%	0.639	21%	0.205	S	C	*	.			trans	-86.9	0	177.2	-64.5	173.7	0	0	0	112.1	F4 L185 I186	F4-L188 HydrophobicContact CD1-CD1 3.27Å; F4-L188 HydrophobicContact CD2-CD1 4.32Å; F4-L188 HydrophobicContact CE1-CD1 3.34Å; F4-L188 HydrophobicContact CE2-CD1 4.38Å; F4-L188 HydrophobicContact CG-CD1 3.8Å; F4-L188 HydrophobicContact CZ-CD1 3.93Å; L185-L188 HydrophobicContact CD2-CD1 4.05Å; L185-L188 PolarHBondContact O-N 2.9Å; I186-L188 VanDerWaalsContact C-N 3.29Å; I186-L188 PolarHBondContact O-N 3.4Å

Retrieved 188 of 188 residues in 361.6 ms (Link to these results)

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