A0A3Q0KG80_SCHMA Loading...

Putative rhodopsin-like orphan GPCR

AlphaFold DB , UniProt , Accession A0A3Q0KG80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 612 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	38.6	Very low	53	Low	58 Å²	58	88.9 Å²	88.9	29%	0.286	49%	0.486	S	S	.	.				0	125.4	0	-156.1	173.9	-171.7	0	0	101.6	I3 P171 I174 I556 I558	M1-I3 HydrophobicContact CB-CG1 4.22Å; M1-I3 PolarHBondContact O-N 3.34Å; M1-P171 HydrophobicContact CE-CB 3.62Å; M1-P171 HydrophobicContact CE-CG 3.54Å; M1-I174 HydrophobicContact CE-CD1 3.78Å; M1-I174 HydrophobicContact CE-CG1 3.82Å; M1-I174 HydrophobicContact SD-CD1 4.46Å; M1-I556 PolarHBondContact N-O 3.29Å; M1-I558 HydrophobicContact CB-CD1 3.99Å
2	N	27.2	Very low	55.5	Low	159 Å²	159	84.4 Å²	84.4	85%	0.85	46%	0.461	S	S	*	.			trans	-73.1	79.7	175.5	-111.7	5.5	0	0	0	107	N4	N2-N4 PolarHBondContact O-N 3.27Å; N2-N4 VanDerWaalsContact O-N 3.09Å
3	I	43.6	Very low	57.9	Low	89 Å²	89	78.2 Å²	78.2	46%	0.456	43%	0.427	S	S	.	.			trans	-66.1	105.2	165.4	-61.3	177.1	0	0	0	103	M1 E5 D7	M1-I3 HydrophobicContact CB-CG1 4.22Å; M1-I3 PolarHBondContact O-N 3.34Å; I3-E5 PolarHBondContact O-N 3.43Å; I3-D7 HydrophobicContact CG2-CB 3.24Å
4	N	39.9	Very low	60.1	Low	118 Å²	118	73 Å²	73	63%	0.631	40%	0.398	S	S	*	.			trans	-43.4	141.5	171.6	-75.4	-24.7	0	0	0	108.4	N2 A6 D7	N2-N4 PolarHBondContact O-N 3.27Å; N2-N4 VanDerWaalsContact O-N 3.09Å; N4-A6 PolarHBondContact O-N 3.37Å; N4-D7 PolarHBondContact O-N 3.02Å
5	E	38.1	Very low	62	Low	186 Å²	186	68.1 Å²	68.1	87%	0.869	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-51.8	-24.4	-177.4	-79.5	-179.5	140	0	0	113.3	I3 D7 S8	I3-E5 PolarHBondContact O-N 3.43Å; E5-D7 VanDerWaalsContact C-N 3.3Å; E5-D7 PolarHBondContact O-N 2.81Å; E5-S8 WeakPolarHBondContact O-CB 3.46Å; E5-S8 PolarHBondContact O-N 2.81Å; E5-S8 PolarHBondContact O-OG 2.93Å
6	A	44.9	Very low	63.7	Low	83 Å²	83	63.9 Å²	63.9	69%	0.686	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-63.9	-22.1	172.4	0	0	0	0	0	115.5	N4	N4-A6 PolarHBondContact O-N 3.37Å
7	D	58.1	Low	64.9	Low	44 Å²	44	62.2 Å²	62.2	24%	0.235	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-100.5	6.2	-179.9	-79.8	-28.6	0	0	0	113.3	I3 N4 E5 N9 Y10 K168	I3-D7 HydrophobicContact CG2-CB 3.24Å; N4-D7 PolarHBondContact O-N 3.02Å; E5-D7 VanDerWaalsContact C-N 3.3Å; E5-D7 PolarHBondContact O-N 2.81Å; D7-N9 PolarHBondContact O-N 3.42Å; D7-Y10 PolarHBondContact O-N 3.38Å; D7-K168 IonicContact OD1-NZ 3.82Å
8	S	63.5	Low	66.1	Low	77 Å²	77	60.7 Å²	60.7	54%	0.538	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.6	174.2	57.7	0	0	0	0	114.1	E5	E5-S8 WeakPolarHBondContact O-CB 3.46Å; E5-S8 PolarHBondContact O-N 2.81Å; E5-S8 PolarHBondContact O-OG 2.93Å
9	N	74.7	Confident	67.2	Low	73 Å²	73	60.7 Å²	60.7	39%	0.39	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	0.1	176.7	-71	-37.9	0	0	0	114.3	D7 H264 R265	D7-N9 PolarHBondContact O-N 3.42Å; N9-H264 CarbonylContact O-C 3.41Å; N9-H264 WeakPolarHBondContact O-CA 3.47Å; N9-H264 PolarHBondContact O-ND1 2.9Å; N9-R265 WeakPolarHBondContact O-CB 3.45Å; N9-R265 PolarHBondContact O-N 2.99Å
10	Y	75.1	Confident	68.3	Low	25 Å²	25	63.6 Å²	63.6	10%	0.098	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.9	177.3	-71.6	-89.7	0	0	0	110.8	D7 K165 K168 L262 L263 H264	D7-Y10 PolarHBondContact O-N 3.38Å; Y10-K165 PolarHBondContact OH-O 3.42Å; Y10-K168 HydrophobicContact CE1-CD 4.1Å; Y10-K168 HydrophobicContact CE1-CG 4.04Å; Y10-K168 HydrophobicContact CE2-CD 4.11Å; Y10-K168 WeakPolarHBondContact OH-CE 3.45Å; Y10-L262 HydrophobicContact CD1-CB 4.16Å; Y10-L262 HydrophobicContact CG-CB 4.47Å; Y10-L263 CarbonylContact C-O 3.35Å; Y10-L263 VanDerWaalsContact CA-O 3.31Å; Y10-L263 WeakPolarHBondContact CA-O 3.07Å; Y10-H264 HydrophobicContact CD1-CB 4.12Å; Y10-H264 HydrophobicContact CE1-CB 3.74Å; Y10-H264 AromaticContact CZ-ND1 3.83Å
11	H	78.8	Confident	69.1	Low	66 Å²	66	60.5 Å²	60.5	31%	0.306	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.7	175.5	-65.9	-76.8	0	0	0	109.4	F13 L262 L263 I268	H11-F13 HydrophobicContact CB-CD2 4.36Å; H11-F13 HydrophobicContact CB-CE2 3.95Å; H11-L262 CarbonylContact O-C 3.54Å; H11-L262 WeakPolarHBondContact O-CA 3.04Å; H11-L263 PolarHBondContact N-O 3.25Å; H11-L263 PolarHBondContact O-N 3.4Å; H11-I268 HydrophobicContact CB-CD1 3.63Å; H11-I268 WeakPolarHBondContact CD2-CD1 3.41Å
12	L	83.9	Confident	71.5	Confident	35 Å²	35	59.3 Å²	59.3	18%	0.183	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	128.8	178.4	-175.4	68.6	0	0	0	110.6	Y14 A59 A170 I174 P260 L262	L12-Y14 HydrophobicContact CD2-CE2 4Å; L12-Y14 HydrophobicContact CG-CE2 4.19Å; L12-A59 HydrophobicContact CB-CB 3.75Å; L12-A59 HydrophobicContact CD2-CB 3.7Å; L12-A59 HydrophobicContact CG-CB 3.73Å; L12-A59 WeakPolarHBondContact O-CB 3.37Å; L12-A59 PolarHBondContact O-N 3.22Å; L12-A170 HydrophobicContact CD1-CB 4.04Å; L12-I174 HydrophobicContact CD1-CD1 3.91Å; L12-I174 HydrophobicContact CD2-CD1 3.79Å; L12-P260 HydrophobicContact CD1-CB 4.27Å; L12-L262 HydrophobicContact CB-CD2 4.17Å; L12-L262 HydrophobicContact CD1-CD2 4.18Å
13	F	86.8	Confident	74.5	Confident	4 Å²	4	56.9 Å²	56.9	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.6	172.6	-81.2	-106.4	0	0	0	109.3	H11 F42 L56 V57 P260 L261 L263 I268	H11-F13 HydrophobicContact CB-CD2 4.36Å; H11-F13 HydrophobicContact CB-CE2 3.95Å; F13-F42 HydrophobicContact CD1-CD2 4.38Å; F13-F42 HydrophobicContact CD1-CE2 4.31Å; F13-F42 HydrophobicContact CE1-CD2 4Å; F13-F42 AromaticContact CE1-CE2 3.62Å; F13-F42 HydrophobicContact CE1-CE2 3.62Å; F13-F42 HydrophobicContact CZ-CE2 4.05Å; F13-L56 HydrophobicContact CD1-CB 4.26Å; F13-V57 CarbonylContact C-O 3.41Å; F13-V57 WeakPolarHBondContact CA-O 3.48Å; F13-V57 VanDerWaalsContact CD1-C 3.42Å; F13-V57 WeakPolarHBondContact CD1-O 3.32Å; F13-P260 CarbonylContact O-C 3.58Å; F13-P260 WeakPolarHBondContact O-CA 3.46Å; F13-L261 HydrophobicContact CB-CD1 3.9Å; F13-L261 HydrophobicContact CB-CG 4.44Å; F13-L261 PolarHBondContact N-O 3.14Å; F13-L261 PolarHBondContact O-N 3.21Å; F13-L261 VanDerWaalsContact O-O 3.05Å; F13-L263 HydrophobicContact CB-CD1 3.88Å; F13-L263 HydrophobicContact CD1-CD1 3.85Å; F13-L263 HydrophobicContact CD2-CB 3.82Å; F13-L263 HydrophobicContact CD2-CD1 3.63Å; F13-L263 HydrophobicContact CD2-CG 4.22Å; F13-L263 HydrophobicContact CE1-CD1 4.31Å; F13-L263 HydrophobicContact CE2-CB 4.2Å; F13-L263 HydrophobicContact CE2-CD1 4.11Å; F13-L263 HydrophobicContact CG-CB 4.47Å; F13-L263 HydrophobicContact CG-CD1 3.5Å; F13-L263 HydrophobicContact CG-CG 4.4Å; F13-L263 HydrophobicContact CZ-CD1 4.43Å; F13-I268 HydrophobicContact CE2-CD1 3.51Å; F13-I268 HydrophobicContact CE2-CG1 3.89Å; F13-I268 HydrophobicContact CZ-CD1 3.99Å; F13-I268 HydrophobicContact CZ-CG1 3.93Å
14	Y	88.3	Confident	76.6	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.02	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120	177	-73.4	-84.3	0	0	0	108.6	L12 L56 V57 A59 L62 H63 F258 Q259 P260 M293	L12-Y14 HydrophobicContact CD2-CE2 4Å; L12-Y14 HydrophobicContact CG-CE2 4.19Å; Y14-L56 CarbonylContact O-C 3.53Å; Y14-L56 WeakPolarHBondContact O-CA 3.47Å; Y14-V57 PolarHBondContact N-O 3.15Å; Y14-V57 PolarHBondContact O-N 3.12Å; Y14-A59 HydrophobicContact CD2-CB 4.05Å; Y14-A59 HydrophobicContact CE2-CB 3.63Å; Y14-L62 HydrophobicContact CD1-CD2 4.26Å; Y14-L62 HydrophobicContact CD2-CB 4.37Å; Y14-L62 HydrophobicContact CD2-CD2 3.59Å; Y14-L62 HydrophobicContact CE2-CD2 4.33Å; Y14-L62 HydrophobicContact CG-CD2 3.54Å; Y14-H63 AromaticContact CE2-CD2 3.84Å; Y14-H63 AromaticContact CE2-NE2 3.32Å; Y14-H63 VanDerWaalsContact CE2-NE2 3.32Å; Y14-H63 WeakPolarHBondContact CE2-NE2 3.49Å; Y14-H63 AromaticContact CZ-NE2 3.48Å; Y14-H63 PolarHBondContact OH-NE2 3.05Å; Y14-F258 HydrophobicContact CD1-CB 3.73Å; Y14-F258 HydrophobicContact CG-CB 4.26Å; Y14-Q259 CarbonylContact C-O 3.51Å; Y14-Q259 WeakPolarHBondContact CA-O 3.44Å; Y14-P260 HydrophobicContact CD1-CB 3.91Å; Y14-P260 HydrophobicContact CE1-CB 3.65Å; Y14-M293 HydrophobicContact CD1-SD 3.89Å; Y14-M293 HydrophobicContact CE1-CE 4.4Å; Y14-M293 HydrophobicContact CE1-SD 3.62Å; Y14-M293 HydrophobicContact CE2-SD 4.43Å; Y14-M293 HydrophobicContact CG-SD 4.37Å
15	G	88	Confident	78.8	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	155.6	168.9	0	0	0	0	0	112.1	G55 F258 Q259	G15-G55 CarbonylContact C-O 3.55Å; G15-G55 VanDerWaalsContact CA-O 3.26Å; G15-G55 WeakPolarHBondContact CA-O 3.29Å; G15-F258 CarbonylContact O-C 3.57Å; G15-F258 VanDerWaalsContact O-CA 3.3Å; G15-F258 WeakPolarHBondContact O-CA 2.88Å; G15-F258 WeakPolarHBondContact O-CD1 3.33Å; G15-Q259 VanDerWaalsContact C-OE1 3.28Å; G15-Q259 PolarHBondContact N-O 3.31Å; G15-Q259 PolarHBondContact O-N 3.39Å; G15-Q259 PolarHBondContact O-OE1 3.33Å
16	F	89.4	Confident	81.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	150.1	170.7	54.8	-91.5	0	0	0	108.7	Q22 A25 L41 L43 Y53 G54 G55 V57 F258	F16-Q22 HydrophobicContact CD2-CB 3.89Å; F16-Q22 VanDerWaalsContact CE2-CA 3.46Å; F16-Q22 HydrophobicContact CE2-CB 3.54Å; F16-Q22 HydrophobicContact CE2-CG 3.86Å; F16-Q22 HydrophobicContact CZ-CB 4.43Å; F16-Q22 HydrophobicContact CZ-CG 4.46Å; F16-A25 HydrophobicContact CD1-CB 4.02Å; F16-A25 HydrophobicContact CE1-CB 3.45Å; F16-A25 VanDerWaalsContact CE1-CB 3.45Å; F16-A25 HydrophobicContact CZ-CB 3.83Å; F16-L41 HydrophobicContact CE1-CD1 4.22Å; F16-L41 HydrophobicContact CZ-CD1 4.22Å; F16-L43 HydrophobicContact CE2-CD2 4.3Å; F16-L43 HydrophobicContact CZ-CD2 3.9Å; F16-Y53 WeakPolarHBondContact CD2-O 3.38Å; F16-G54 VanDerWaalsContact O-CA 3.31Å; F16-G54 WeakPolarHBondContact O-CA 3.4Å; F16-G55 WeakPolarHBondContact CD1-O 3.45Å; F16-G55 VanDerWaalsContact CE1-C 3.41Å; F16-G55 VanDerWaalsContact CE2-N 3.35Å; F16-G55 VanDerWaalsContact CZ-CA 3.43Å; F16-G55 PolarHBondContact N-O 2.91Å; F16-G55 PolarHBondContact O-N 3.47Å; F16-V57 HydrophobicContact CD1-CG1 4.41Å; F16-V57 HydrophobicContact CE1-CB 4.35Å; F16-V57 HydrophobicContact CE1-CG1 4.41Å; F16-F258 HydrophobicContact CB-CD1 4.17Å; F16-F258 HydrophobicContact CB-CE1 4.15Å; F16-F258 HydrophobicContact CD1-CE1 4.32Å
17	N	85.2	Confident	83	Confident	35 Å²	35	39.8 Å²	39.8	19%	0.187	22%	0.217	C	C	.	.			trans	-134.5	13.1	179.8	62.1	-6.2	0	0	0	113.1	Y53 D286	N17-Y53 CarbonylContact C-O 3.41Å; N17-D286 PolarHBondContact ND2-OD1 3.31Å
18	D	85	Confident	84.1	Confident	35 Å²	35	37.7 Å²	37.7	19%	0.187	21%	0.206	C	C	.	.	S	Bend	trans	-129.2	155.7	-175.5	73	-93.3	0	0	0	111.5	E20 G21 Q22 Y53	D18-E20 VanDerWaalsContact C-N 3.27Å; D18-E20 PolarHBondContact O-N 3.46Å; D18-E20 WeakPolarHBondContact OD2-CA 3.45Å; D18-E20 VanDerWaalsContact OD2-CB 3.32Å; D18-E20 WeakPolarHBondContact OD2-CB 3.3Å; D18-E20 PolarHBondContact OD2-N 3.06Å; D18-G21 PolarHBondContact O-N 2.88Å; D18-G21 PolarHBondContact OD2-N 3.37Å; D18-Q22 PolarHBondContact O-N 2.96Å; D18-Q22 VanDerWaalsContact O-N 3.1Å; D18-Y53 PolarHBondContact N-O 3.37Å
19	P	88.5	Confident	84.9	Confident	61 Å²	61	35.3 Å²	35.3	40%	0.396	19%	0.188	S	C	.	.	H	α-helix	trans	-63.6	-29	-176.7	24.3	-35	0	0	0	113.7	N23 Y53	P19-N23 WeakPolarHBondContact O-CB 3.32Å; P19-N23 PolarHBondContact O-N 3.31Å; P19-N23 PolarHBondContact O-ND2 2.98Å; P19-N23 VanDerWaalsContact O-ND2 3.11Å; P19-Y53 HydrophobicContact CB-CD1 3.75Å; P19-Y53 HydrophobicContact CB-CE1 3.97Å; P19-Y53 HydrophobicContact CB-CG 4.13Å
20	E	87.7	Confident	85.2	Confident	118 Å²	118	36.4 Å²	36.4	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-71.2	-45.1	178.7	-59.2	-178.7	179.3	0	0	110.5	D18 Q22 N23 I24 V256	D18-E20 VanDerWaalsContact C-N 3.27Å; D18-E20 PolarHBondContact O-N 3.46Å; D18-E20 WeakPolarHBondContact OD2-CA 3.45Å; D18-E20 VanDerWaalsContact OD2-CB 3.32Å; D18-E20 WeakPolarHBondContact OD2-CB 3.3Å; D18-E20 PolarHBondContact OD2-N 3.06Å; E20-Q22 VanDerWaalsContact C-N 3.35Å; E20-Q22 PolarHBondContact O-N 3.49Å; E20-N23 PolarHBondContact O-N 2.89Å; E20-I24 WeakPolarHBondContact O-CG1 3.25Å; E20-I24 PolarHBondContact O-N 3.44Å; E20-V256 HydrophobicContact CB-CG1 4.46Å; E20-V256 HydrophobicContact CB-CG2 4.2Å
21	G	86.9	Confident	85	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.7	-45.2	173.4	0	0	0	0	0	112.5	D18 I24 A25	D18-G21 PolarHBondContact O-N 2.88Å; D18-G21 PolarHBondContact OD2-N 3.37Å; G21-I24 PolarHBondContact O-N 3.43Å; G21-A25 WeakPolarHBondContact O-CB 3.45Å; G21-A25 PolarHBondContact O-N 3.41Å
22	Q	89	Confident	84.6	Confident	32 Å²	32	35.6 Å²	35.6	15%	0.15	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-46.2	176.3	-175.2	175.8	-1.6	0	0	112.2	F16 D18 E20 I24 A25 L26 L43 Y53	F16-Q22 HydrophobicContact CD2-CB 3.89Å; F16-Q22 VanDerWaalsContact CE2-CA 3.46Å; F16-Q22 HydrophobicContact CE2-CB 3.54Å; F16-Q22 HydrophobicContact CE2-CG 3.86Å; F16-Q22 HydrophobicContact CZ-CB 4.43Å; F16-Q22 HydrophobicContact CZ-CG 4.46Å; D18-Q22 PolarHBondContact O-N 2.96Å; D18-Q22 VanDerWaalsContact O-N 3.1Å; E20-Q22 VanDerWaalsContact C-N 3.35Å; E20-Q22 PolarHBondContact O-N 3.49Å; Q22-I24 VanDerWaalsContact C-N 3.29Å; Q22-I24 PolarHBondContact O-N 3.48Å; Q22-A25 PolarHBondContact O-N 3.47Å; Q22-L26 HydrophobicContact CG-CD1 3.94Å; Q22-L26 HydrophobicContact CG-CG 4.31Å; Q22-L26 WeakPolarHBondContact O-CB 3.5Å; Q22-L26 VanDerWaalsContact O-CG 3.3Å; Q22-L26 WeakPolarHBondContact O-CG 3.49Å; Q22-L26 PolarHBondContact O-N 3.43Å; Q22-L43 HydrophobicContact CG-CD2 4.26Å; Q22-Y53 VanDerWaalsContact OE1-CA 3.29Å
23	N	89.1	Confident	83.9	Confident	108 Å²	108	38.6 Å²	38.6	58%	0.578	21%	0.211	S	C	*	.	H	α-helix	trans	-60.5	-40.2	179.6	-74.2	-26	0	0	0	111.7	P19 E20 A27	P19-N23 WeakPolarHBondContact O-CB 3.32Å; P19-N23 PolarHBondContact O-N 3.31Å; P19-N23 PolarHBondContact O-ND2 2.98Å; P19-N23 VanDerWaalsContact O-ND2 3.11Å; E20-N23 PolarHBondContact O-N 2.89Å; N23-A27 WeakPolarHBondContact O-CB 3.42Å; N23-A27 PolarHBondContact O-N 3.35Å
24	I	87.7	Confident	83	Confident	17 Å²	17	42.1 Å²	42.1	9%	0.087	23%	0.234	C	C	.	.	H	α-helix	trans	-70.4	-40.8	176.8	-67.6	178	0	0	0	111.5	E20 G21 Q22 L26 A27 A28 L62 I65 T254 V256 F258 C295	E20-I24 WeakPolarHBondContact O-CG1 3.25Å; E20-I24 PolarHBondContact O-N 3.44Å; G21-I24 PolarHBondContact O-N 3.43Å; Q22-I24 VanDerWaalsContact C-N 3.29Å; Q22-I24 PolarHBondContact O-N 3.48Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.23Å; I24-A27 PolarHBondContact O-N 2.95Å; I24-A28 WeakPolarHBondContact O-CB 3.44Å; I24-A28 PolarHBondContact O-N 3.41Å; I24-L62 HydrophobicContact CG2-CD1 4.12Å; I24-I65 HydrophobicContact CG2-CG2 4.45Å; I24-T254 WeakPolarHBondContact CD1-OG1 3.44Å; I24-V256 HydrophobicContact CD1-CB 3.92Å; I24-V256 HydrophobicContact CD1-CG1 4.34Å; I24-V256 HydrophobicContact CD1-CG2 3.29Å; I24-F258 HydrophobicContact CB-CZ 4.47Å; I24-F258 HydrophobicContact CG2-CZ 4.18Å; I24-C295 HydrophobicContact CD1-CB 3.8Å; I24-C295 HydrophobicContact CG2-CB 4.23Å
25	A	86.4	Confident	82	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-41.6	176.2	0	0	0	0	0	111.7	F16 G21 Q22 A28 T29 L41 V57	F16-A25 HydrophobicContact CD1-CB 4.02Å; F16-A25 HydrophobicContact CE1-CB 3.45Å; F16-A25 VanDerWaalsContact CE1-CB 3.45Å; F16-A25 HydrophobicContact CZ-CB 3.83Å; G21-A25 WeakPolarHBondContact O-CB 3.45Å; G21-A25 PolarHBondContact O-N 3.41Å; Q22-A25 PolarHBondContact O-N 3.47Å; A25-A28 PolarHBondContact O-N 3.25Å; A25-T29 WeakPolarHBondContact O-CG2 3.39Å; A25-T29 PolarHBondContact O-N 2.88Å; A25-T29 PolarHBondContact O-OG1 2.83Å; A25-L41 HydrophobicContact CB-CD1 3.94Å; A25-V57 HydrophobicContact CB-CB 3.95Å; A25-V57 HydrophobicContact CB-CG1 4.12Å; A25-V57 HydrophobicContact CB-CG2 4.25Å
26	L	86.3	Confident	80.8	Confident	68 Å²	68	47.2 Å²	47.2	36%	0.356	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-42	172.9	-70.9	172.3	0	0	0	111.6	Q22 I24 T29 S30 L41 L43	Q22-L26 HydrophobicContact CG-CD1 3.94Å; Q22-L26 HydrophobicContact CG-CG 4.31Å; Q22-L26 WeakPolarHBondContact O-CB 3.5Å; Q22-L26 VanDerWaalsContact O-CG 3.3Å; Q22-L26 WeakPolarHBondContact O-CG 3.49Å; Q22-L26 PolarHBondContact O-N 3.43Å; I24-L26 VanDerWaalsContact C-N 3.34Å; I24-L26 PolarHBondContact O-N 3.23Å; L26-T29 WeakPolarHBondContact CA-OG1 3.44Å; L26-T29 PolarHBondContact O-N 2.92Å; L26-T29 PolarHBondContact O-OG1 3.05Å; L26-S30 WeakPolarHBondContact O-CB 3.41Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3Å; L26-L41 HydrophobicContact CD2-CD2 3.81Å; L26-L43 HydrophobicContact CD2-CD1 4.39Å
27	A	84.3	Confident	79.6	Confident	33 Å²	33	54 Å²	54	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-45.9	174.1	0	0	0	0	0	111.5	N23 I24 T29 S30 M31	N23-A27 WeakPolarHBondContact O-CB 3.42Å; N23-A27 PolarHBondContact O-N 3.35Å; I24-A27 PolarHBondContact O-N 2.95Å; A27-T29 VanDerWaalsContact C-N 3.35Å; A27-T29 PolarHBondContact O-N 3.1Å; A27-S30 PolarHBondContact O-N 3.23Å; A27-S30 PolarHBondContact O-OG 3.43Å; A27-M31 HydrophobicContact CB-CE 4.48Å; A27-M31 WeakPolarHBondContact O-CG 3.37Å; A27-M31 PolarHBondContact O-N 3.48Å; A27-M31 VanDerWaalsContact O-N 3.08Å
28	A	81.9	Confident	78.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.7	-42.7	178.6	0	0	0	0	0	113.2	I24 A25 Q61 I65	I24-A28 WeakPolarHBondContact O-CB 3.44Å; I24-A28 PolarHBondContact O-N 3.41Å; A25-A28 PolarHBondContact O-N 3.25Å; A28-Q61 HydrophobicContact CB-CB 4.36Å; A28-I65 HydrophobicContact CB-CD1 3.78Å; A28-I65 HydrophobicContact CB-CG1 4.3Å
29	T	80.6	Confident	78.2	Confident	27 Å²	27	55.3 Å²	55.3	17%	0.166	31%	0.306	C	S	.	.	H	α-helix	trans	-72.8	-28.5	178	53.9	0	0	0	0	113	A25 L26 A27 L41 V57	A25-T29 WeakPolarHBondContact O-CG2 3.39Å; A25-T29 PolarHBondContact O-N 2.88Å; A25-T29 PolarHBondContact O-OG1 2.83Å; L26-T29 WeakPolarHBondContact CA-OG1 3.44Å; L26-T29 PolarHBondContact O-N 2.92Å; L26-T29 PolarHBondContact O-OG1 3.05Å; A27-T29 VanDerWaalsContact C-N 3.35Å; A27-T29 PolarHBondContact O-N 3.1Å; T29-L41 HydrophobicContact CG2-CB 3.65Å; T29-L41 HydrophobicContact CG2-CD1 4.19Å; T29-L41 HydrophobicContact CG2-CD2 4.04Å; T29-L41 HydrophobicContact CG2-CG 4.17Å; T29-V57 HydrophobicContact CG2-CG2 4.39Å
30	S	80.3	Confident	77.7	Confident	95 Å²	95	53.2 Å²	53.2	66%	0.664	29%	0.29	S	S	*	.	H	α-helix	trans	-75.6	-31.2	176.2	74.7	0	0	0	0	113.4	L26 A27	L26-S30 WeakPolarHBondContact O-CB 3.41Å; L26-S30 PolarHBondContact O-N 3.46Å; L26-S30 PolarHBondContact O-OG 3Å; A27-S30 PolarHBondContact O-N 3.23Å; A27-S30 PolarHBondContact O-OG 3.43Å
31	M	72	Confident	77.4	Confident	56 Å²	56	49.5 Å²	49.5	28%	0.276	27%	0.274	S	S	.	.	H	α-helix	trans	-80.1	-21.6	-176.9	-70.7	-172.6	-164	0	0	113.5	A27 I65 L299	A27-M31 HydrophobicContact CB-CE 4.48Å; A27-M31 WeakPolarHBondContact O-CG 3.37Å; A27-M31 PolarHBondContact O-N 3.48Å; A27-M31 VanDerWaalsContact O-N 3.08Å; M31-I65 HydrophobicContact CE-CD1 4.01Å; M31-I65 HydrophobicContact CG-CD1 4.36Å; M31-I65 HydrophobicContact SD-CD1 3.48Å; M31-I65 WeakPolarHBondContact SD-CD1 3.42Å; M31-I65 HydrophobicContact SD-CG1 4.23Å; M31-L299 HydrophobicContact SD-CG 4.34Å
32	I	70	Confident	77.1	Confident	19 Å²	19	50 Å²	50	10%	0.097	28%	0.276	C	S	.	.	S	Bend	trans	-123.6	128.4	-174.9	-60.2	172.4	0	0	0	108	F64 H550	I32-F64 HydrophobicContact CD1-CB 3.38Å; I32-F64 HydrophobicContact CD1-CD1 3.28Å; I32-F64 HydrophobicContact CD1-CD2 4.23Å; I32-F64 HydrophobicContact CD1-CE1 3.99Å; I32-F64 HydrophobicContact CD1-CG 3.4Å; I32-F64 HydrophobicContact CG1-CD1 3.57Å; I32-F64 HydrophobicContact CG1-CE1 3.78Å; I32-F64 HydrophobicContact CG1-CG 4.14Å; I32-H550 WeakPolarHBondContact CG2-CE1 2.93Å
33	K	69.4	Low	76.7	Confident	98 Å²	98	52.3 Å²	52.3	43%	0.426	29%	0.289	S	S	.	.			trans	-37.7	147.8	171.9	61.2	88.8	121.4	160.6	0	113.2	I35 N547 H550	K33-I35 PolarHBondContact O-N 3.48Å; K33-N547 WeakPolarHBondContact CD-OD1 3.37Å; K33-N547 VanDerWaalsContact CE-CG 3.45Å; K33-N547 WeakPolarHBondContact CE-OD1 3.48Å; K33-N547 PolarHBondContact NZ-ND2 2.89Å; K33-N547 PolarHBondContact NZ-OD1 3.34Å; K33-H550 WeakPolarHBondContact CA-CD2 3.41Å; K33-H550 WeakPolarHBondContact CA-CE1 3.49Å; K33-H550 VanDerWaalsContact CA-ND1 3.34Å; K33-H550 WeakPolarHBondContact CA-ND1 3.37Å; K33-H550 WeakPolarHBondContact CA-NE2 3.37Å; K33-H550 HydrophobicContact CD-CB 4.39Å; K33-H550 PolarHBondContact N-CE1 2.86Å; K33-H550 PolarHBondContact N-ND1 2.99Å; K33-H550 VanDerWaalsContact N-ND1 3.16Å; K33-H550 PolarHBondContact O-CE1 3.36Å; K33-H550 PolarHBondContact O-NE2 2.72Å
34	P	66.3	Low	76.1	Confident	77 Å²	77	47.5 Å²	47.5	50%	0.5	26%	0.263	S	S	.	.			trans	-44.4	134.3	151.6	44.5	-31.2	0	0	0	115.4	E40 H550	P34-E40 HydrophobicContact CB-CG 4.45Å; P34-H550 VanDerWaalsContact C-NE2 3.27Å; P34-H550 PolarHBondContact O-CD2 3.16Å; P34-H550 VanDerWaalsContact O-CD2 3.29Å; P34-H550 PolarHBondContact O-NE2 3.4Å
35	I	68	Low	75.2	Confident	18 Å²	18	52.4 Å²	52.4	9%	0.092	29%	0.289	C	S	.	.			trans	-73.6	124.2	148.2	-56.1	174.6	0	0	0	105.6	K33 N37 K38 E40	K33-I35 PolarHBondContact O-N 3.48Å; I35-N37 PolarHBondContact O-N 3.47Å; I35-K38 HydrophobicContact CB-CB 4.2Å; I35-K38 HydrophobicContact CB-CD 4.3Å; I35-K38 HydrophobicContact CD1-CD 4.05Å; I35-K38 HydrophobicContact CG2-CB 4.43Å; I35-K38 HydrophobicContact CG2-CD 3.97Å; I35-K38 HydrophobicContact CG2-CG 4.26Å; I35-K38 PolarHBondContact O-N 3.49Å; I35-E40 WeakPolarHBondContact CD1-OE1 3.39Å
36	P	63.8	Low	74.2	Confident	95 Å²	95	60.9 Å²	60.9	62%	0.617	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	137	177.8	21.6	-31	0	0	0	110.3	K38	P36-K38 VanDerWaalsContact C-N 3.27Å; P36-K38 PolarHBondContact O-N 2.95Å
37	N	62.9	Low	73.1	Confident	143 Å²	143	60 Å²	60	77%	0.765	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	17.1	179.9	-52.2	-28.3	0	0	0	116.3	I35	I35-N37 PolarHBondContact O-N 3.47Å
38	K	69.2	Low	71.7	Confident	44 Å²	44	64.7 Å²	64.7	19%	0.191	36%	0.355	C	S	.	.			trans	-124.2	128	168.8	-67.6	-174.6	-179.1	179.2	0	110.4	I35 P36 E40 I268 L269 N553	I35-K38 HydrophobicContact CB-CB 4.2Å; I35-K38 HydrophobicContact CB-CD 4.3Å; I35-K38 HydrophobicContact CD1-CD 4.05Å; I35-K38 HydrophobicContact CG2-CB 4.43Å; I35-K38 HydrophobicContact CG2-CD 3.97Å; I35-K38 HydrophobicContact CG2-CG 4.26Å; I35-K38 PolarHBondContact O-N 3.49Å; P36-K38 VanDerWaalsContact C-N 3.27Å; P36-K38 PolarHBondContact O-N 2.95Å; K38-E40 PolarHBondContact O-N 3.48Å; K38-I268 HydrophobicContact CB-CG2 3.73Å; K38-I268 HydrophobicContact CD-CG2 4.34Å; K38-I268 HydrophobicContact CG-CG2 3.97Å; K38-L269 HydrophobicContact CG-CD1 4.39Å; K38-N553 PolarHBondContact NZ-OD1 3.47Å
39	K	72.8	Confident	70.6	Confident	53 Å²	53	73.2 Å²	73.2	23%	0.23	39%	0.387	C	S	.	.			trans	-74.8	114.4	167.6	-75.8	-173.8	-179.4	176.2	0	109.5	F42 I268 N271 Y272	K39-F42 HydrophobicContact CB-CD1 4.38Å; K39-F42 HydrophobicContact CB-CE1 3.68Å; K39-F42 HydrophobicContact CB-CE2 3.83Å; K39-F42 HydrophobicContact CB-CZ 3.36Å; K39-F42 HydrophobicContact CD-CD1 3.87Å; K39-F42 HydrophobicContact CD-CE1 3.37Å; K39-F42 HydrophobicContact CD-CZ 3.98Å; K39-F42 HydrophobicContact CG-CE1 4.17Å; K39-F42 HydrophobicContact CG-CZ 4.31Å; K39-I268 PolarHBondContact N-O 3.34Å; K39-I268 VanDerWaalsContact N-O 3.08Å; K39-N271 WeakPolarHBondContact CE-OD1 3.22Å; K39-N271 PolarHBondContact NZ-OD1 3.13Å; K39-N271 VanDerWaalsContact NZ-OD1 3.07Å; K39-Y272 PolarHBondContact NZ-O 2.93Å
40	E	77.4	Confident	69.8	Low	16 Å²	16	72.5 Å²	72.5	8%	0.075	38%	0.382	C	S	.	.			trans	-98.8	-14.8	176.6	-58.3	-79.2	146.4	0	0	112.1	P34 I35 K38 V57 S58 Q61	P34-E40 HydrophobicContact CB-CG 4.45Å; I35-E40 WeakPolarHBondContact CD1-OE1 3.39Å; K38-E40 PolarHBondContact O-N 3.48Å; E40-V57 CarbonylContact O-C 3.6Å; E40-V57 WeakPolarHBondContact O-CA 3.32Å; E40-S58 PolarHBondContact O-N 3.33Å; E40-S58 WeakPolarHBondContact OE2-CB 3.26Å; E40-S58 PolarHBondContact OE2-OG 2.84Å; E40-Q61 HydrophobicContact CB-CG 4.18Å; E40-Q61 VanDerWaalsContact CB-NE2 3.3Å; E40-Q61 PolarHBondContact O-OE1 3.18Å
41	L	81.2	Confident	69	Low	41 Å²	41	71.9 Å²	71.9	22%	0.215	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134	173.9	-176	71.8	0	0	0	109.8	F16 A25 L26 T29 L43 L56 V57	F16-L41 HydrophobicContact CE1-CD1 4.22Å; F16-L41 HydrophobicContact CZ-CD1 4.22Å; A25-L41 HydrophobicContact CB-CD1 3.94Å; L26-L41 HydrophobicContact CD2-CD2 3.81Å; T29-L41 HydrophobicContact CG2-CB 3.65Å; T29-L41 HydrophobicContact CG2-CD1 4.19Å; T29-L41 HydrophobicContact CG2-CD2 4.04Å; T29-L41 HydrophobicContact CG2-CG 4.17Å; L41-L43 HydrophobicContact CD1-CD2 4.35Å; L41-L43 HydrophobicContact CD2-CD1 4.27Å; L41-L43 HydrophobicContact CD2-CD2 4.24Å; L41-L43 HydrophobicContact CD2-CG 4.08Å; L41-L43 HydrophobicContact CG-CD2 4.35Å; L41-L43 HydrophobicContact CG-CG 4.25Å; L41-L56 CarbonylContact C-O 3.57Å; L41-L56 WeakPolarHBondContact CA-O 3.38Å; L41-V57 HydrophobicContact CD1-CB 4.1Å; L41-V57 HydrophobicContact CD1-CG2 4.42Å
42	F	79.8	Confident	68.8	Low	9 Å²	9	70.2 Å²	70.2	4%	0.039	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.7	170.4	-59.4	-96.3	0	0	0	107.5	F13 K39 G55 L56 L263 V267 I274	F13-F42 HydrophobicContact CD1-CD2 4.38Å; F13-F42 HydrophobicContact CD1-CE2 4.31Å; F13-F42 HydrophobicContact CE1-CD2 4Å; F13-F42 AromaticContact CE1-CE2 3.62Å; F13-F42 HydrophobicContact CE1-CE2 3.62Å; F13-F42 HydrophobicContact CZ-CE2 4.05Å; K39-F42 HydrophobicContact CB-CD1 4.38Å; K39-F42 HydrophobicContact CB-CE1 3.68Å; K39-F42 HydrophobicContact CB-CE2 3.83Å; K39-F42 HydrophobicContact CB-CZ 3.36Å; K39-F42 HydrophobicContact CD-CD1 3.87Å; K39-F42 HydrophobicContact CD-CE1 3.37Å; K39-F42 HydrophobicContact CD-CZ 3.98Å; K39-F42 HydrophobicContact CG-CE1 4.17Å; K39-F42 HydrophobicContact CG-CZ 4.31Å; F42-G55 CarbonylContact O-C 3.51Å; F42-G55 WeakPolarHBondContact O-CA 2.88Å; F42-L56 HydrophobicContact CB-CB 4.15Å; F42-L56 HydrophobicContact CD2-CB 4.17Å; F42-L56 PolarHBondContact N-O 3.2Å; F42-L56 PolarHBondContact O-N 2.99Å; F42-L263 HydrophobicContact CE2-CD1 4.35Å; F42-V267 HydrophobicContact CZ-CG1 4.47Å; F42-I274 HydrophobicContact CB-CD1 3.75Å; F42-I274 HydrophobicContact CD1-CD1 3.55Å; F42-I274 HydrophobicContact CD1-CG1 3.87Å; F42-I274 HydrophobicContact CE1-CD1 4.3Å; F42-I274 HydrophobicContact CE1-CG1 4.36Å; F42-I274 HydrophobicContact CG-CD1 3.82Å
43	L	80.7	Confident	69.1	Low	82 Å²	82	74.8 Å²	74.8	43%	0.429	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.6	171.9	-64.2	173	0	0	0	108.5	F16 Q22 L26 L41	F16-L43 HydrophobicContact CE2-CD2 4.3Å; F16-L43 HydrophobicContact CZ-CD2 3.9Å; Q22-L43 HydrophobicContact CG-CD2 4.26Å; L26-L43 HydrophobicContact CD2-CD1 4.39Å; L41-L43 HydrophobicContact CD1-CD2 4.35Å; L41-L43 HydrophobicContact CD2-CD1 4.27Å; L41-L43 HydrophobicContact CD2-CD2 4.24Å; L41-L43 HydrophobicContact CD2-CG 4.08Å; L41-L43 HydrophobicContact CG-CD2 4.35Å; L41-L43 HydrophobicContact CG-CG 4.25Å
44	F	76.7	Confident	69.6	Low	7 Å²	7	70.2 Å²	70.2	3%	0.031	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-88.5	123.6	173.5	-60.3	-40.5	0	0	0	108.8	G54 L56 I274 Q278 L281 Y282 L285	F44-G54 WeakPolarHBondContact CB-O 3.42Å; F44-G54 PolarHBondContact N-O 3.17Å; F44-L56 HydrophobicContact CZ-CD1 4.27Å; F44-L56 HydrophobicContact CZ-CD2 4.18Å; F44-L56 HydrophobicContact CZ-CG 3.86Å; F44-I274 HydrophobicContact CE1-CD1 3.88Å; F44-Q278 VanDerWaalsContact C-NE2 3.32Å; F44-Q278 HydrophobicContact CB-CG 4.01Å; F44-Q278 HydrophobicContact CD1-CG 3.71Å; F44-Q278 HydrophobicContact CG-CG 4.11Å; F44-L281 HydrophobicContact CE1-CD2 4.16Å; F44-L281 HydrophobicContact CZ-CD2 3.99Å; F44-L281 HydrophobicContact CZ-CG 4.22Å; F44-Y282 AromaticContact CD2-CD2 3.85Å; F44-Y282 HydrophobicContact CD2-CD2 3.85Å; F44-Y282 HydrophobicContact CE2-CD2 4.44Å; F44-L285 HydrophobicContact CE2-CD1 3.34Å; F44-L285 HydrophobicContact CZ-CD1 3.7Å
45	D	68.4	Low	70.6	Confident	119 Å²	119	66.6 Å²	66.6	64%	0.636	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-58.8	146.8	175.8	-78.6	-23.6	0	0	0	112.2	T47 T50 Q278	D45-T47 PolarHBondContact O-N 3.43Å; D45-T50 PolarHBondContact O-OG1 2.91Å; D45-Q278 PolarHBondContact O-NE2 3.43Å
46	K	66.9	Low	71.5	Confident	179 Å²	179	65.7 Å²	65.7	78%	0.778	34%	0.341	S	S	*	.			trans	-67.6	98.4	177	-171.1	178.7	-178.6	179	0	110
47	T	62.3	Low	72.6	Confident	49 Å²	49	61.2 Å²	61.2	30%	0.301	31%	0.312	S	S	.	.			trans	-99.4	163.8	167.9	66.7	0	0	0	0	110.2	D45 R49 T50	D45-T47 PolarHBondContact O-N 3.43Å; T47-R49 PolarHBondContact O-N 3.47Å; T47-T50 PolarHBondContact N-OG1 3.42Å; T47-T50 PolarHBondContact O-N 3.39Å; T47-T50 PolarHBondContact O-OG1 2.87Å; T47-T50 VanDerWaalsContact O-OG1 3.08Å; T47-T50 WeakPolarHBondContact OG1-CG2 3.37Å; T47-T50 PolarHBondContact OG1-OG1 2.89Å; T47-T50 VanDerWaalsContact OG1-OG1 3.13Å
48	S	54.4	Low	73.6	Confident	131 Å²	131	54.6 Å²	54.6	92%	0.916	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-16	-177.5	55.3	0	0	0	0	115.3
49	R	60.2	Low	74.3	Confident	180 Å²	180	53 Å²	53	68%	0.679	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-10.4	179	-68	-173	179.4	-176	-0.2	114.8	T47 E283	T47-R49 PolarHBondContact O-N 3.47Å; R49-E283 IonicContact NH1-OE1 3.64Å
50	T	63.5	Low	74.4	Confident	12 Å²	12	53.6 Å²	53.6	7%	0.074	27%	0.272	C	S	.	.	S	Bend	trans	-105.2	138.4	-177.9	56.1	0	0	0	0	109.4	D45 T47 G52 Y282	D45-T50 PolarHBondContact O-OG1 2.91Å; T47-T50 PolarHBondContact N-OG1 3.42Å; T47-T50 PolarHBondContact O-N 3.39Å; T47-T50 PolarHBondContact O-OG1 2.87Å; T47-T50 VanDerWaalsContact O-OG1 3.08Å; T47-T50 WeakPolarHBondContact OG1-CG2 3.37Å; T47-T50 PolarHBondContact OG1-OG1 2.89Å; T47-T50 VanDerWaalsContact OG1-OG1 3.13Å; T50-G52 PolarHBondContact O-N 3.17Å; T50-Y282 HydrophobicContact CG2-CD1 3.79Å; T50-Y282 HydrophobicContact CG2-CD2 3.78Å; T50-Y282 HydrophobicContact CG2-CE1 3.95Å; T50-Y282 HydrophobicContact CG2-CE2 3.91Å; T50-Y282 HydrophobicContact CG2-CG 3.71Å
51	T	62.9	Low	74.5	Confident	82 Å²	82	53 Å²	53	50%	0.503	27%	0.27	S	S	.	.			trans	-63.4	-9.4	178.3	56.2	0	0	0	0	113.3	Y53 Y282	T51-Y53 VanDerWaalsContact C-N 3.29Å; T51-Y53 VanDerWaalsContact O-CD2 3.26Å; T51-Y53 WeakPolarHBondContact O-CD2 3.24Å; T51-Y282 PolarHBondContact OG1-OH 3.4Å
52	G	69.2	Low	74.6	Confident	20 Å²	20	51 Å²	51	21%	0.206	26%	0.259	C	S	.	.	S	Bend	trans	85.7	-3.1	-175.5	0	0	0	0	0	113.6	T50	T50-G52 PolarHBondContact O-N 3.17Å
53	Y	75.1	Confident	74.6	Confident	116 Å²	116	53.9 Å²	53.9	46%	0.455	27%	0.273	S	S	.	.			trans	-109.1	24.6	-175.1	-60.7	-78.2	0	0	0	114.1	F16 N17 D18 P19 Q22 T51	F16-Y53 WeakPolarHBondContact CD2-O 3.38Å; N17-Y53 CarbonylContact C-O 3.41Å; D18-Y53 PolarHBondContact N-O 3.37Å; P19-Y53 HydrophobicContact CB-CD1 3.75Å; P19-Y53 HydrophobicContact CB-CE1 3.97Å; P19-Y53 HydrophobicContact CB-CG 4.13Å; Q22-Y53 VanDerWaalsContact OE1-CA 3.29Å; T51-Y53 VanDerWaalsContact C-N 3.29Å; T51-Y53 VanDerWaalsContact O-CD2 3.26Å; T51-Y53 WeakPolarHBondContact O-CD2 3.24Å
54	G	80.8	Confident	74.1	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.021	27%	0.273	C	S	.	.			trans	-98.9	144.5	-175.9	0	0	0	0	0	113.6	F16 F44	F16-G54 VanDerWaalsContact O-CA 3.31Å; F16-G54 WeakPolarHBondContact O-CA 3.4Å; F44-G54 WeakPolarHBondContact CB-O 3.42Å; F44-G54 PolarHBondContact N-O 3.17Å
55	G	85.7	Confident	74.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	-177	172.1	0	0	0	0	0	114.1	G15 F16 F42	G15-G55 CarbonylContact C-O 3.55Å; G15-G55 VanDerWaalsContact CA-O 3.26Å; G15-G55 WeakPolarHBondContact CA-O 3.29Å; F16-G55 WeakPolarHBondContact CD1-O 3.45Å; F16-G55 VanDerWaalsContact CE1-C 3.41Å; F16-G55 VanDerWaalsContact CE2-N 3.35Å; F16-G55 VanDerWaalsContact CZ-CA 3.43Å; F16-G55 PolarHBondContact N-O 2.91Å; F16-G55 PolarHBondContact O-N 3.47Å; F42-G55 CarbonylContact O-C 3.51Å; F42-G55 WeakPolarHBondContact O-CA 2.88Å
56	L	87.1	Confident	74.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.8	176.2	-51.8	174.3	0	0	0	109.6	F13 Y14 L41 F42 F44 L261 L263 I274 L281 L285	F13-L56 HydrophobicContact CD1-CB 4.26Å; Y14-L56 CarbonylContact O-C 3.53Å; Y14-L56 WeakPolarHBondContact O-CA 3.47Å; L41-L56 CarbonylContact C-O 3.57Å; L41-L56 WeakPolarHBondContact CA-O 3.38Å; F42-L56 HydrophobicContact CB-CB 4.15Å; F42-L56 HydrophobicContact CD2-CB 4.17Å; F42-L56 PolarHBondContact N-O 3.2Å; F42-L56 PolarHBondContact O-N 2.99Å; F44-L56 HydrophobicContact CZ-CD1 4.27Å; F44-L56 HydrophobicContact CZ-CD2 4.18Å; F44-L56 HydrophobicContact CZ-CG 3.86Å; L56-L261 HydrophobicContact CD2-CD2 3.68Å; L56-L263 HydrophobicContact CD1-CD1 3.73Å; L56-I274 HydrophobicContact CD1-CD1 4.3Å; L56-L281 HydrophobicContact CD1-CD2 3.83Å; L56-L285 HydrophobicContact CD2-CD1 3.92Å; L56-L285 HydrophobicContact CD2-CD2 4.2Å
57	V	87	Confident	74.7	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143	173.8	61.4	0	0	0	0	110.1	F13 Y14 F16 A25 T29 E40 L41 Q61 L62 F258	F13-V57 CarbonylContact C-O 3.41Å; F13-V57 WeakPolarHBondContact CA-O 3.48Å; F13-V57 VanDerWaalsContact CD1-C 3.42Å; F13-V57 WeakPolarHBondContact CD1-O 3.32Å; Y14-V57 PolarHBondContact N-O 3.15Å; Y14-V57 PolarHBondContact O-N 3.12Å; F16-V57 HydrophobicContact CD1-CG1 4.41Å; F16-V57 HydrophobicContact CE1-CB 4.35Å; F16-V57 HydrophobicContact CE1-CG1 4.41Å; A25-V57 HydrophobicContact CB-CB 3.95Å; A25-V57 HydrophobicContact CB-CG1 4.12Å; A25-V57 HydrophobicContact CB-CG2 4.25Å; T29-V57 HydrophobicContact CG2-CG2 4.39Å; E40-V57 CarbonylContact O-C 3.6Å; E40-V57 WeakPolarHBondContact O-CA 3.32Å; L41-V57 HydrophobicContact CD1-CB 4.1Å; L41-V57 HydrophobicContact CD1-CG2 4.42Å; V57-Q61 HydrophobicContact CG2-CB 4.19Å; V57-L62 HydrophobicContact CG1-CB 4.11Å; V57-L62 HydrophobicContact CG1-CD1 4.11Å; V57-L62 HydrophobicContact CG1-CD2 3.96Å; V57-L62 HydrophobicContact CG1-CG 4.28Å; V57-L62 HydrophobicContact CG2-CB 4.48Å; V57-F258 HydrophobicContact CG1-CE1 4.37Å
58	S	84.4	Confident	74.5	Confident	4 Å²	4	42 Å²	42	3%	0.028	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	145.1	179.4	83	0	0	0	0	111	E40 R60 Q61 L62	E40-S58 PolarHBondContact O-N 3.33Å; E40-S58 WeakPolarHBondContact OE2-CB 3.26Å; E40-S58 PolarHBondContact OE2-OG 2.84Å; S58-R60 PolarHBondContact O-N 2.99Å; S58-Q61 PolarHBondContact O-N 3.41Å; S58-Q61 PolarHBondContact OG-N 2.99Å; S58-Q61 VanDerWaalsContact OG-N 3.16Å; S58-L62 WeakPolarHBondContact O-CB 3.32Å; S58-L62 PolarHBondContact O-N 2.85Å
59	A	83.3	Confident	74.7	Confident	10 Å²	10	36.8 Å²	36.8	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-32.3	173.5	0	0	0	0	0	112	L12 Y14 L62 H63	L12-A59 HydrophobicContact CB-CB 3.75Å; L12-A59 HydrophobicContact CD2-CB 3.7Å; L12-A59 HydrophobicContact CG-CB 3.73Å; L12-A59 WeakPolarHBondContact O-CB 3.37Å; L12-A59 PolarHBondContact O-N 3.22Å; Y14-A59 HydrophobicContact CD2-CB 4.05Å; Y14-A59 HydrophobicContact CE2-CB 3.63Å; A59-L62 PolarHBondContact O-N 3.43Å; A59-H63 WeakPolarHBondContact O-CA 3.48Å; A59-H63 WeakPolarHBondContact O-CB 3.44Å; A59-H63 PolarHBondContact O-CD2 3.29Å; A59-H63 PolarHBondContact O-N 3.39Å
60	R	75.3	Confident	74.4	Confident	67 Å²	67	29.6 Å²	29.6	25%	0.253	16%	0.158	S	C	.	.	H	α-helix	trans	-61.4	-46.9	178.8	179.2	-178.5	167.6	171.1	-7.2	111.7	S58 H550 A552	S58-R60 PolarHBondContact O-N 2.99Å; R60-H550 PolarHBondContact NH2-O 3.03Å; R60-A552 PolarHBondContact NH1-O 3.42Å
61	Q	80.6	Confident	74	Confident	3 Å²	3	35.5 Å²	35.5	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-72.1	-44.4	178.7	-72.7	-180	-30.8	0	0	111.1	A28 E40 V57 S58 F64	A28-Q61 HydrophobicContact CB-CB 4.36Å; E40-Q61 HydrophobicContact CB-CG 4.18Å; E40-Q61 VanDerWaalsContact CB-NE2 3.3Å; E40-Q61 PolarHBondContact O-OE1 3.18Å; V57-Q61 HydrophobicContact CG2-CB 4.19Å; S58-Q61 PolarHBondContact O-N 3.41Å; S58-Q61 PolarHBondContact OG-N 2.99Å; S58-Q61 VanDerWaalsContact OG-N 3.16Å; Q61-F64 WeakPolarHBondContact O-CB 3.31Å; Q61-F64 PolarHBondContact O-N 3.26Å
62	L	82.9	Confident	73.4	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.1	-42	-177	-165.4	65.2	0	0	0	111.8	Y14 I24 V57 S58 A59 F64 I65 C66 F258 M293	Y14-L62 HydrophobicContact CD1-CD2 4.26Å; Y14-L62 HydrophobicContact CD2-CB 4.37Å; Y14-L62 HydrophobicContact CD2-CD2 3.59Å; Y14-L62 HydrophobicContact CE2-CD2 4.33Å; Y14-L62 HydrophobicContact CG-CD2 3.54Å; I24-L62 HydrophobicContact CG2-CD1 4.12Å; V57-L62 HydrophobicContact CG1-CB 4.11Å; V57-L62 HydrophobicContact CG1-CD1 4.11Å; V57-L62 HydrophobicContact CG1-CD2 3.96Å; V57-L62 HydrophobicContact CG1-CG 4.28Å; V57-L62 HydrophobicContact CG2-CB 4.48Å; S58-L62 WeakPolarHBondContact O-CB 3.32Å; S58-L62 PolarHBondContact O-N 2.85Å; A59-L62 PolarHBondContact O-N 3.43Å; L62-F64 PolarHBondContact O-N 2.98Å; L62-F64 VanDerWaalsContact O-N 3.15Å; L62-I65 PolarHBondContact O-N 3.36Å; L62-C66 HydrophobicContact CD1-CB 4.2Å; L62-C66 WeakPolarHBondContact CD1-SG 3.35Å; L62-C66 HydrophobicContact CG-CB 4.03Å; L62-C66 WeakPolarHBondContact O-CA 3.44Å; L62-C66 WeakPolarHBondContact O-CB 3.26Å; L62-C66 PolarHBondContact O-N 3.38Å; L62-F258 HydrophobicContact CD1-CE1 4.03Å; L62-F258 HydrophobicContact CD1-CE2 4.17Å; L62-F258 HydrophobicContact CD1-CZ 3.69Å; L62-F258 HydrophobicContact CD2-CD1 3.79Å; L62-F258 HydrophobicContact CD2-CD2 4.03Å; L62-F258 HydrophobicContact CD2-CE1 3.86Å; L62-F258 HydrophobicContact CD2-CE2 4.09Å; L62-F258 HydrophobicContact CD2-CG 3.88Å; L62-F258 HydrophobicContact CD2-CZ 4.01Å; L62-F258 HydrophobicContact CG-CZ 4.48Å; L62-M293 HydrophobicContact CD2-CE 4.32Å; L62-M293 HydrophobicContact CD2-SD 3.63Å; L62-M293 HydrophobicContact CG-SD 4.4Å
63	H	78.5	Confident	72.5	Confident	69 Å²	69	36.2 Å²	36.2	32%	0.319	18%	0.18	S	C	.	.	H	α-helix	trans	-64.3	-19	-178.7	-73.8	-171.6	0	0	0	114.3	Y14 A59 I65 C66	Y14-H63 AromaticContact CE2-CD2 3.84Å; Y14-H63 AromaticContact CE2-NE2 3.32Å; Y14-H63 VanDerWaalsContact CE2-NE2 3.32Å; Y14-H63 WeakPolarHBondContact CE2-NE2 3.49Å; Y14-H63 AromaticContact CZ-NE2 3.48Å; Y14-H63 PolarHBondContact OH-NE2 3.05Å; A59-H63 WeakPolarHBondContact O-CA 3.48Å; A59-H63 WeakPolarHBondContact O-CB 3.44Å; A59-H63 PolarHBondContact O-CD2 3.29Å; A59-H63 PolarHBondContact O-N 3.39Å; H63-I65 VanDerWaalsContact C-N 3.35Å; H63-C66 CarbonylContact C-O 3.57Å; H63-C66 WeakPolarHBondContact CA-O 3.18Å
64	F	71.5	Confident	71.3	Confident	100 Å²	100	35.4 Å²	35.4	44%	0.439	18%	0.182	S	C	.	.	H	α-helix	trans	-72.2	-31.6	174.6	-171.5	-113.2	0	0	0	112.4	I32 Q61 L62 P300	I32-F64 HydrophobicContact CD1-CB 3.38Å; I32-F64 HydrophobicContact CD1-CD1 3.28Å; I32-F64 HydrophobicContact CD1-CD2 4.23Å; I32-F64 HydrophobicContact CD1-CE1 3.99Å; I32-F64 HydrophobicContact CD1-CG 3.4Å; I32-F64 HydrophobicContact CG1-CD1 3.57Å; I32-F64 HydrophobicContact CG1-CE1 3.78Å; I32-F64 HydrophobicContact CG1-CG 4.14Å; Q61-F64 WeakPolarHBondContact O-CB 3.31Å; Q61-F64 PolarHBondContact O-N 3.26Å; L62-F64 PolarHBondContact O-N 2.98Å; L62-F64 VanDerWaalsContact O-N 3.15Å; F64-P300 HydrophobicContact CD1-CG 3.78Å; F64-P300 HydrophobicContact CE1-CB 4.28Å; F64-P300 HydrophobicContact CE1-CG 3.36Å; F64-P300 HydrophobicContact CE2-CB 4.41Å; F64-P300 HydrophobicContact CE2-CG 4.16Å; F64-P300 HydrophobicContact CG-CG 4.39Å; F64-P300 HydrophobicContact CZ-CB 3.98Å; F64-P300 HydrophobicContact CZ-CG 3.56Å
65	I	75.9	Confident	69.9	Low	7 Å²	7	39.9 Å²	39.9	4%	0.036	21%	0.206	C	C	.	.	H	α-helix	trans	-103.2	-38.1	-178.6	-66.8	-163.3	0	0	0	111.9	I24 A28 M31 L62 H63 C295 H296	I24-I65 HydrophobicContact CG2-CG2 4.45Å; A28-I65 HydrophobicContact CB-CD1 3.78Å; A28-I65 HydrophobicContact CB-CG1 4.3Å; M31-I65 HydrophobicContact CE-CD1 4.01Å; M31-I65 HydrophobicContact CG-CD1 4.36Å; M31-I65 HydrophobicContact SD-CD1 3.48Å; M31-I65 WeakPolarHBondContact SD-CD1 3.42Å; M31-I65 HydrophobicContact SD-CG1 4.23Å; L62-I65 PolarHBondContact O-N 3.36Å; H63-I65 VanDerWaalsContact C-N 3.35Å; I65-C295 HydrophobicContact CG2-CB 4.41Å; I65-H296 VanDerWaalsContact CG2-O 3.26Å; I65-H296 WeakPolarHBondContact CG2-O 3.47Å; I65-H296 PolarHBondContact O-N 3.41Å
66	C	80.3	Confident	68.2	Low	1 Å²	1	48 Å²	48	1%	0.007	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.7	-173.3	-53.5	0	0	0	0	111.1	L62 H63 M293 K294 C295	L62-C66 HydrophobicContact CD1-CB 4.2Å; L62-C66 WeakPolarHBondContact CD1-SG 3.35Å; L62-C66 HydrophobicContact CG-CB 4.03Å; L62-C66 WeakPolarHBondContact O-CA 3.44Å; L62-C66 WeakPolarHBondContact O-CB 3.26Å; L62-C66 PolarHBondContact O-N 3.38Å; H63-C66 CarbonylContact C-O 3.57Å; H63-C66 WeakPolarHBondContact CA-O 3.18Å; C66-M293 HydrophobicContact CB-CB 4.13Å; C66-M293 HydrophobicContact CB-CE 3.96Å; C66-K294 CarbonylContact C-O 3.57Å; C66-K294 WeakPolarHBondContact CA-O 3.31Å; C66-C295 HydrophobicContact CB-CB 4.03Å; C66-C295 WeakPolarHBondContact CB-SG 3.34Å; C66-C295 WeakPolarHBondContact SG-CB 3.25Å; C66-C295 CovalentContact SG-SG 2.03Å; C66-C295 PolarHBondContact SG-SG 3.19Å
67	G	67.9	Low	66.6	Low	29 Å²	29	50.8 Å²	50.8	30%	0.299	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	151.8	167.8	0	0	0	0	0	111.1	Y69 K294	G67-Y69 PolarHBondContact O-N 3.41Å; G67-K294 PolarHBondContact N-O 3.44Å; G67-K294 PolarHBondContact O-N 3.45Å
68	P	58.9	Low	65.5	Low	48 Å²	48	53.9 Å²	53.9	31%	0.312	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	132.1	165.2	25.6	-32.9	0	0	0	108.9	P70 E71	P68-P70 CarbonylContact O-C 3.44Å; P68-E71 PolarHBondContact O-N 2.97Å
69	Y	58.6	Low	65	Low	23 Å²	23	59.9 Å²	59.9	9%	0.09	31%	0.308	C	S	.	.	S	Bend	trans	-112.4	124.8	-179.9	-173.7	-101.8	0	0	0	112.6	G67 T177 S184 F255 V292 K294	G67-Y69 PolarHBondContact O-N 3.41Å; Y69-T177 VanDerWaalsContact O-CB 3.3Å; Y69-T177 WeakPolarHBondContact O-CB 3.18Å; Y69-T177 VanDerWaalsContact O-CG2 3.31Å; Y69-T177 WeakPolarHBondContact O-CG2 3.27Å; Y69-S184 PolarHBondContact OH-O 3.45Å; Y69-F255 AromaticContact CD1-CD1 3.98Å; Y69-F255 HydrophobicContact CD1-CD1 3.98Å; Y69-F255 AromaticContact CD1-CE1 3.75Å; Y69-F255 HydrophobicContact CD1-CE1 3.75Å; Y69-F255 AromaticContact CD2-CE1 3.7Å; Y69-F255 HydrophobicContact CD2-CE1 3.7Å; Y69-F255 HydrophobicContact CE1-CD1 4.23Å; Y69-F255 AromaticContact CE1-CE1 3.74Å; Y69-F255 HydrophobicContact CE1-CE1 3.74Å; Y69-F255 AromaticContact CE2-CE1 3.69Å; Y69-F255 HydrophobicContact CE2-CE1 3.69Å; Y69-F255 HydrophobicContact CE2-CZ 4.26Å; Y69-F255 HydrophobicContact CG-CD1 4.12Å; Y69-F255 AromaticContact CG-CE1 3.71Å; Y69-F255 HydrophobicContact CG-CE1 3.71Å; Y69-F255 AromaticContact CZ-CE1 3.69Å; Y69-V292 WeakPolarHBondContact CB-O 3.39Å; Y69-V292 PolarHBondContact N-O 3.22Å; Y69-K294 HydrophobicContact CD2-CB 3.93Å; Y69-K294 HydrophobicContact CD2-CD 4.23Å; Y69-K294 HydrophobicContact CG-CB 4.17Å
70	P	53.7	Low	64.7	Low	29 Å²	29	62.6 Å²	62.6	19%	0.188	32%	0.318	C	S	.	.	S	Bend	cis	-79.7	168.1	-18.7	36.9	-34.4	0	0	0	110.2	P68 L72 W150	P68-P70 CarbonylContact O-C 3.44Å; P70-L72 PolarHBondContact O-N 3.44Å; P70-W150 HydrophobicContact CB-CH2 4.24Å; P70-W150 HydrophobicContact CB-CZ2 4.28Å; P70-W150 VanDerWaalsContact CD-CH2 3.41Å; P70-W150 VanDerWaalsContact CD-CZ3 3.41Å; P70-W150 HydrophobicContact CG-CD2 4.33Å; P70-W150 HydrophobicContact CG-CE3 4.28Å; P70-W150 HydrophobicContact CG-CH2 3.02Å; P70-W150 HydrophobicContact CG-CZ2 2.97Å; P70-W150 HydrophobicContact CG-CZ3 3.63Å
71	E	54.3	Low	64.5	Low	136 Å²	136	60.1 Å²	60.1	64%	0.636	31%	0.31	S	S	*	.			trans	-56.5	130.7	-174.6	-66.3	173.4	-178.1	0	0	110.9	P68 I73	P68-E71 PolarHBondContact O-N 2.97Å; E71-I73 PolarHBondContact O-N 3.47Å
72	L	49.9	Very low	64.3	Low	60 Å²	60	64 Å²	64	31%	0.314	33%	0.327	S	S	.	.			trans	-44.9	111.9	-177	-120	90.9	0	0	0	111.2	P70 I74 E173	P70-L72 PolarHBondContact O-N 3.44Å; L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 PolarHBondContact O-N 2.87Å; L72-I74 VanDerWaalsContact O-N 3.12Å; L72-E173 WeakPolarHBondContact CD1-O 3.5Å; L72-E173 HydrophobicContact CD2-CB 4.19Å
73	I	50.3	Low	64.3	Low	56 Å²	56	67.6 Å²	67.6	29%	0.287	35%	0.345	S	S	.	.			trans	-81.4	91.4	166.9	-57.3	173.1	0	0	0	105.1	E71 D75 W150	E71-I73 PolarHBondContact O-N 3.47Å; I73-D75 PolarHBondContact O-N 3.37Å; I73-W150 HydrophobicContact CD1-CZ2 4.5Å
74	I	50.8	Low	64.5	Low	99 Å²	99	64.9 Å²	64.9	51%	0.508	33%	0.333	S	S	.	.			trans	-47.9	126.5	177.2	-63.3	164.4	0	0	0	109.1	L72 E76	L72-I74 VanDerWaalsContact C-N 3.33Å; L72-I74 PolarHBondContact O-N 2.87Å; L72-I74 VanDerWaalsContact O-N 3.12Å; I74-E76 PolarHBondContact O-N 3.02Å
75	D	51.5	Low	64.9	Low	97 Å²	97	61.6 Å²	61.6	52%	0.519	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	17.9	-160.4	-113.6	-36	0	0	0	117.3	I73 Q176	I73-D75 PolarHBondContact O-N 3.37Å; D75-Q176 PolarHBondContact OD2-NE2 2.92Å
76	E	49.8	Very low	65.2	Low	169 Å²	169	62.4 Å²	62.4	79%	0.79	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	1.1	-174.5	-66.8	-163.2	159.7	0	0	115.1	I74	I74-E76 PolarHBondContact O-N 3.02Å
77	N	54	Low	65.5	Low	60 Å²	60	66.7 Å²	66.7	32%	0.321	35%	0.346	S	S	.	.			trans	-144.9	32.7	178.1	-73.1	-77.6	0	0	0	115.6	I79 F80 L565 R569	N77-I79 PolarHBondContact O-N 3.48Å; N77-F80 PolarHBondContact O-N 3.3Å; N77-L565 VanDerWaalsContact ND2-CD2 3.33Å; N77-L565 WeakPolarHBondContact ND2-CD2 3.26Å; N77-R569 PolarHBondContact ND2-NH2 3.19Å; N77-R569 PolarHBondContact OD1-NH2 3.41Å
78	V	62.2	Low	66.5	Low	65 Å²	65	68.3 Å²	68.3	39%	0.394	35%	0.347	S	S	.	.	H	α-helix	trans	-52.8	-30.9	177.6	-178.9	0	0	0	0	111.9	F80 K82	V78-F80 PolarHBondContact O-N 3.36Å; V78-K82 HydrophobicContact CG1-CB 4.49Å; V78-K82 WeakPolarHBondContact O-CA 3.39Å; V78-K82 WeakPolarHBondContact O-CB 3.2Å; V78-K82 PolarHBondContact O-N 2.92Å
79	I	74.8	Confident	67.8	Low	129 Å²	129	67 Å²	67	66%	0.662	34%	0.338	S	S	*	.	H	α-helix	trans	-61.6	-47.1	-177.5	-58.5	174.3	0	0	0	112.4	N77 K82 I83	N77-I79 PolarHBondContact O-N 3.48Å; I79-K82 PolarHBondContact O-N 3.41Å; I79-I83 HydrophobicContact CG2-CD1 3.61Å; I79-I83 HydrophobicContact CG2-CG1 4.29Å; I79-I83 WeakPolarHBondContact O-CB 3.48Å; I79-I83 VanDerWaalsContact O-CG1 3.23Å; I79-I83 WeakPolarHBondContact O-CG1 3.2Å; I79-I83 PolarHBondContact O-N 2.99Å
80	F	77.1	Confident	69.3	Low	68 Å²	68	66.3 Å²	66.3	30%	0.298	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-50.2	-176.7	176.1	-98.5	0	0	0	111.6	N77 V78 K82 I83 I84 R569 I572 I573	N77-F80 PolarHBondContact O-N 3.3Å; V78-F80 PolarHBondContact O-N 3.36Å; F80-K82 VanDerWaalsContact C-N 3.32Å; F80-K82 PolarHBondContact O-N 3.32Å; F80-I83 PolarHBondContact O-N 2.93Å; F80-I84 HydrophobicContact CD1-CD1 3.96Å; F80-I84 HydrophobicContact CD2-CD1 4.22Å; F80-I84 HydrophobicContact CE1-CD1 3.36Å; F80-I84 HydrophobicContact CE2-CD1 3.65Å; F80-I84 HydrophobicContact CG-CD1 4.38Å; F80-I84 HydrophobicContact CZ-CD1 3.2Å; F80-I84 HydrophobicContact CZ-CG1 4.42Å; F80-I84 WeakPolarHBondContact O-CG1 3.2Å; F80-I84 PolarHBondContact O-N 3.45Å; F80-R569 HydrophobicContact CD1-CG 4.2Å; F80-R569 HydrophobicContact CE1-CB 4.19Å; F80-R569 HydrophobicContact CE1-CG 3.97Å; F80-I572 HydrophobicContact CE1-CG2 4.47Å; F80-I573 HydrophobicContact CZ-CD1 4.21Å; F80-I573 HydrophobicContact CZ-CG1 4.12Å
81	D	71.3	Confident	71.1	Confident	15 Å²	15	69.7 Å²	69.7	8%	0.08	35%	0.351	C	S	.	.	H	α-helix	trans	-64.8	-39.6	178.6	-174	57.3	0	0	0	111.3	I84 Q85 R141	D81-I84 PolarHBondContact O-N 3.5Å; D81-Q85 VanDerWaalsContact CG-NE2 3.27Å; D81-Q85 WeakPolarHBondContact O-CB 3.32Å; D81-Q85 WeakPolarHBondContact O-CG 3.44Å; D81-Q85 PolarHBondContact O-N 3.4Å; D81-Q85 PolarHBondContact OD1-NE2 3.5Å; D81-Q85 PolarHBondContact OD2-NE2 3.35Å; D81-Q85 VanDerWaalsContact OD2-NE2 3.11Å; D81-R141 IonicContact OD2-CZ 3.77Å; D81-R141 IonicContact OD2-NH1 3.79Å; D81-R141 IonicContact OD2-NH2 3.04Å; D81-R141 PolarHBondContact OD2-NH2 3.25Å
82	K	75.7	Confident	72.9	Confident	83 Å²	83	64.5 Å²	64.5	36%	0.361	33%	0.328	S	S	.	.	H	α-helix	trans	-59.1	-55.1	174.8	-173	167.8	-175.8	163.6	0	110.5	V78 I79 F80 I84 Q85 T86 G145	V78-K82 HydrophobicContact CG1-CB 4.49Å; V78-K82 WeakPolarHBondContact O-CA 3.39Å; V78-K82 WeakPolarHBondContact O-CB 3.2Å; V78-K82 PolarHBondContact O-N 2.92Å; I79-K82 PolarHBondContact O-N 3.41Å; F80-K82 VanDerWaalsContact C-N 3.32Å; F80-K82 PolarHBondContact O-N 3.32Å; K82-I84 VanDerWaalsContact C-N 3.32Å; K82-I84 PolarHBondContact O-N 3.28Å; K82-Q85 PolarHBondContact O-N 2.9Å; K82-T86 HydrophobicContact CG-CG2 3.98Å; K82-T86 WeakPolarHBondContact O-CB 3.39Å; K82-T86 WeakPolarHBondContact O-CG2 3.29Å; K82-T86 PolarHBondContact O-N 3.36Å; K82-T86 PolarHBondContact O-OG1 3.42Å; K82-G145 WeakPolarHBondContact CE-O 3.35Å; K82-G145 PolarHBondContact NZ-O 2.69Å
83	I	83.9	Confident	74.9	Confident	76 Å²	76	61.7 Å²	61.7	39%	0.39	31%	0.313	S	S	.	.	H	α-helix	trans	-55.8	-46	179.8	-70.9	169.1	0	0	0	111.4	I79 F80 I87 I88	I79-I83 HydrophobicContact CG2-CD1 3.61Å; I79-I83 HydrophobicContact CG2-CG1 4.29Å; I79-I83 WeakPolarHBondContact O-CB 3.48Å; I79-I83 VanDerWaalsContact O-CG1 3.23Å; I79-I83 WeakPolarHBondContact O-CG1 3.2Å; I79-I83 PolarHBondContact O-N 2.99Å; F80-I83 PolarHBondContact O-N 2.93Å; I83-I87 HydrophobicContact CG2-CD1 4.48Å; I83-I87 VanDerWaalsContact O-CB 3.31Å; I83-I87 WeakPolarHBondContact O-CB 3.32Å; I83-I87 PolarHBondContact O-N 3.38Å; I83-I88 HydrophobicContact CG2-CD1 4.3Å; I83-I88 HydrophobicContact CG2-CG1 4.46Å; I83-I88 PolarHBondContact O-N 2.94Å
84	I	82.8	Confident	76.9	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.062	32%	0.317	C	S	.	.	I	π-helix	trans	-63.9	-49.9	-179.6	-70.1	-179.1	0	0	0	110.7	F80 D81 K82 I88 L89 I572	F80-I84 HydrophobicContact CD1-CD1 3.96Å; F80-I84 HydrophobicContact CD2-CD1 4.22Å; F80-I84 HydrophobicContact CE1-CD1 3.36Å; F80-I84 HydrophobicContact CE2-CD1 3.65Å; F80-I84 HydrophobicContact CG-CD1 4.38Å; F80-I84 HydrophobicContact CZ-CD1 3.2Å; F80-I84 HydrophobicContact CZ-CG1 4.42Å; F80-I84 WeakPolarHBondContact O-CG1 3.2Å; F80-I84 PolarHBondContact O-N 3.45Å; D81-I84 PolarHBondContact O-N 3.5Å; K82-I84 VanDerWaalsContact C-N 3.32Å; K82-I84 PolarHBondContact O-N 3.28Å; I84-I88 HydrophobicContact CG1-CD1 4.25Å; I84-I88 PolarHBondContact O-N 2.89Å; I84-L89 WeakPolarHBondContact O-CB 3.45Å; I84-L89 PolarHBondContact O-N 3.17Å; I84-I572 HydrophobicContact CD1-CG2 3.69Å; I84-I572 HydrophobicContact CG2-CG2 3.93Å
85	Q	79.3	Confident	78.9	Confident	32 Å²	32	61.3 Å²	61.3	15%	0.15	31%	0.31	C	S	.	.	I	π-helix	trans	-78.7	-28.6	-172.9	-63.9	-162.4	29.7	0	0	114.1	D81 K82 P90 Y138 R141	D81-Q85 VanDerWaalsContact CG-NE2 3.27Å; D81-Q85 WeakPolarHBondContact O-CB 3.32Å; D81-Q85 WeakPolarHBondContact O-CG 3.44Å; D81-Q85 PolarHBondContact O-N 3.4Å; D81-Q85 PolarHBondContact OD1-NE2 3.5Å; D81-Q85 PolarHBondContact OD2-NE2 3.35Å; D81-Q85 VanDerWaalsContact OD2-NE2 3.11Å; K82-Q85 PolarHBondContact O-N 2.9Å; Q85-P90 WeakPolarHBondContact O-CD 3.23Å; Q85-Y138 HydrophobicContact CB-CD1 4.38Å; Q85-Y138 HydrophobicContact CB-CE1 4.39Å; Q85-Y138 HydrophobicContact CG-CE1 4.33Å; Q85-R141 VanDerWaalsContact CD-NH1 3.26Å
86	T	82.2	Confident	80.8	Confident	23 Å²	23	56.7 Å²	56.7	14%	0.141	29%	0.286	C	S	.	.	I	π-helix	trans	-93.9	-27.8	-179.2	64.5	0	0	0	0	113.6	K82 R141 A142	K82-T86 HydrophobicContact CG-CG2 3.98Å; K82-T86 WeakPolarHBondContact O-CB 3.39Å; K82-T86 WeakPolarHBondContact O-CG2 3.29Å; K82-T86 PolarHBondContact O-N 3.36Å; K82-T86 PolarHBondContact O-OG1 3.42Å; T86-R141 HydrophobicContact CG2-CG 4Å; T86-A142 VanDerWaalsContact O-CB 3.26Å; T86-A142 WeakPolarHBondContact O-CB 3.31Å
87	I	86.4	Confident	82.9	Confident	91 Å²	91	50.1 Å²	50.1	47%	0.467	26%	0.255	S	S	.	.	I	π-helix	trans	-112.3	-63.4	-175.4	-54.5	177.4	0	0	0	110.6	I83 I91	I83-I87 HydrophobicContact CG2-CD1 4.48Å; I83-I87 VanDerWaalsContact O-CB 3.31Å; I83-I87 WeakPolarHBondContact O-CB 3.32Å; I83-I87 PolarHBondContact O-N 3.38Å; I87-I91 HydrophobicContact CG2-CD1 4.1Å; I87-I91 VanDerWaalsContact O-CD1 3.3Å; I87-I91 WeakPolarHBondContact O-CD1 3.44Å; I87-I91 VanDerWaalsContact O-CG1 3.25Å; I87-I91 WeakPolarHBondContact O-CG1 3.17Å
88	I	89.4	Confident	84.8	Confident	63 Å²	63	51.7 Å²	51.7	32%	0.323	26%	0.264	S	S	.	.	I	π-helix	trans	-69.4	-46.9	-167.4	-57.3	-178.4	0	0	0	111	I83 I84 I91 L92 L576	I83-I88 HydrophobicContact CG2-CD1 4.3Å; I83-I88 HydrophobicContact CG2-CG1 4.46Å; I83-I88 PolarHBondContact O-N 2.94Å; I84-I88 HydrophobicContact CG1-CD1 4.25Å; I84-I88 PolarHBondContact O-N 2.89Å; I88-I91 PolarHBondContact O-N 3.34Å; I88-L92 HydrophobicContact CG2-CD1 3.75Å; I88-L92 HydrophobicContact CG2-CG 4.29Å; I88-L92 WeakPolarHBondContact O-CG 3.5Å; I88-L92 PolarHBondContact O-N 3.48Å; I88-L576 HydrophobicContact CG2-CD1 3.88Å; I88-L576 HydrophobicContact CG2-CD2 4.29Å
89	L	86.8	Confident	86.2	Confident	22 Å²	22	51.2 Å²	51.2	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-46.1	-172	-168.9	62.7	0	0	0	113.3	I84 I91 L92 L93 Y138 L579	I84-L89 WeakPolarHBondContact O-CB 3.45Å; I84-L89 PolarHBondContact O-N 3.17Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 PolarHBondContact O-N 2.78Å; L89-L92 PolarHBondContact O-N 3.19Å; L89-L93 HydrophobicContact CD1-CD1 4.47Å; L89-L93 HydrophobicContact CD1-CG 4.43Å; L89-L93 HydrophobicContact CG-CD1 4.04Å; L89-L93 HydrophobicContact CG-CG 4.45Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 VanDerWaalsContact O-CG 3.22Å; L89-L93 WeakPolarHBondContact O-CG 3.18Å; L89-L93 PolarHBondContact O-N 3.28Å; L89-Y138 HydrophobicContact CD2-CD1 3.74Å; L89-Y138 HydrophobicContact CD2-CD2 3.69Å; L89-Y138 HydrophobicContact CD2-CE1 3.43Å; L89-Y138 VanDerWaalsContact CD2-CE1 3.43Å; L89-Y138 HydrophobicContact CD2-CE2 3.32Å; L89-Y138 HydrophobicContact CD2-CG 3.88Å; L89-Y138 HydrophobicContact CG-CD2 4.09Å; L89-Y138 HydrophobicContact CG-CE2 4.1Å; L89-Y138 HydrophobicContact CG-CG 4.33Å; L89-L579 HydrophobicContact CD1-CD2 3.43Å; L89-L579 VanDerWaalsContact CD1-CD2 3.43Å
90	P	89.7	Confident	87	Confident	7 Å²	7	45.1 Å²	45.1	5%	0.045	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-43.7	173.4	-24.5	33.4	0	0	0	112.9	Q85 L92 L93 I94 L139 A142	Q85-P90 WeakPolarHBondContact O-CD 3.23Å; P90-L92 PolarHBondContact O-N 2.98Å; P90-L93 PolarHBondContact O-N 3.44Å; P90-I94 VanDerWaalsContact O-CG1 3.25Å; P90-I94 WeakPolarHBondContact O-CG1 3.15Å; P90-I94 PolarHBondContact O-N 3.43Å; P90-L139 HydrophobicContact CB-CD2 4.22Å; P90-A142 HydrophobicContact CG-CB 4.21Å
91	I	91.7	Very high	87.8	Confident	100 Å²	100	44.3 Å²	44.3	51%	0.513	23%	0.228	S	C	.	.	H	α-helix	trans	-61.5	-47.7	179.3	-65.6	170.1	0	0	0	110.4	I87 I88 L89 L93 I94 M95	I87-I91 HydrophobicContact CG2-CD1 4.1Å; I87-I91 VanDerWaalsContact O-CD1 3.3Å; I87-I91 WeakPolarHBondContact O-CD1 3.44Å; I87-I91 VanDerWaalsContact O-CG1 3.25Å; I87-I91 WeakPolarHBondContact O-CG1 3.17Å; I88-I91 PolarHBondContact O-N 3.34Å; L89-I91 VanDerWaalsContact C-N 3.33Å; L89-I91 PolarHBondContact O-N 2.78Å; I91-L93 PolarHBondContact O-N 3.11Å; I91-I94 PolarHBondContact O-N 3.06Å; I91-M95 VanDerWaalsContact O-CG 3.32Å; I91-M95 WeakPolarHBondContact O-CG 3.43Å; I91-M95 PolarHBondContact O-N 3.19Å
92	L	91.6	Very high	88.7	Confident	27 Å²	27	46.4 Å²	46.4	14%	0.141	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-40.4	178.1	-72	173.6	0	0	0	112.5	I88 L89 P90 M95 L96 L576 L579 L583	I88-L92 HydrophobicContact CG2-CD1 3.75Å; I88-L92 HydrophobicContact CG2-CG 4.29Å; I88-L92 WeakPolarHBondContact O-CG 3.5Å; I88-L92 PolarHBondContact O-N 3.48Å; L89-L92 PolarHBondContact O-N 3.19Å; P90-L92 PolarHBondContact O-N 2.98Å; L92-M95 PolarHBondContact O-N 2.94Å; L92-L96 VanDerWaalsContact O-CB 3.28Å; L92-L96 WeakPolarHBondContact O-CB 3.34Å; L92-L96 PolarHBondContact O-N 2.95Å; L92-L576 HydrophobicContact CD1-CD1 3.32Å; L92-L576 HydrophobicContact CD1-CG 4.07Å; L92-L579 HydrophobicContact CB-CD2 3.68Å; L92-L579 HydrophobicContact CB-CG 4.47Å; L92-L579 HydrophobicContact CD1-CD2 4.25Å; L92-L583 HydrophobicContact CD2-CD1 3.68Å
93	L	91.6	Very high	89.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-66.2	-41	178.1	-70.1	170.8	0	0	0	111.9	L89 P90 I91 L96 I97 P134 L135 Y138 L579	L89-L93 HydrophobicContact CD1-CD1 4.47Å; L89-L93 HydrophobicContact CD1-CG 4.43Å; L89-L93 HydrophobicContact CG-CD1 4.04Å; L89-L93 HydrophobicContact CG-CG 4.45Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 VanDerWaalsContact O-CG 3.22Å; L89-L93 WeakPolarHBondContact O-CG 3.18Å; L89-L93 PolarHBondContact O-N 3.28Å; P90-L93 PolarHBondContact O-N 3.44Å; I91-L93 PolarHBondContact O-N 3.11Å; L93-L96 WeakPolarHBondContact O-CB 3.48Å; L93-L96 PolarHBondContact O-N 3.47Å; L93-I97 WeakPolarHBondContact O-CD1 3.26Å; L93-I97 VanDerWaalsContact O-CG1 3.32Å; L93-I97 WeakPolarHBondContact O-CG1 3.22Å; L93-I97 PolarHBondContact O-N 3.29Å; L93-P134 HydrophobicContact CD1-CB 4.5Å; L93-P134 HydrophobicContact CD1-CG 4.16Å; L93-P134 HydrophobicContact CD2-CG 4.03Å; L93-L135 HydrophobicContact CB-CD1 3.87Å; L93-L135 HydrophobicContact CD1-CB 4.49Å; L93-L135 HydrophobicContact CD1-CD1 4.47Å; L93-Y138 HydrophobicContact CD1-CD2 3.57Å; L93-Y138 HydrophobicContact CD1-CE2 4.27Å; L93-Y138 HydrophobicContact CD1-CG 4.39Å; L93-L579 HydrophobicContact CD2-CD1 3.8Å; L93-L579 HydrophobicContact CD2-CD2 3.92Å; L93-L579 HydrophobicContact CG-CD2 4.12Å
94	I	92.6	Very high	89.9	Confident	70 Å²	70	40.3 Å²	40.3	36%	0.359	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-49.6	174.2	-69.1	165.4	0	0	0	110	P90 I91 L96 I97 L98 L135 L139	P90-I94 VanDerWaalsContact O-CG1 3.25Å; P90-I94 WeakPolarHBondContact O-CG1 3.15Å; P90-I94 PolarHBondContact O-N 3.43Å; I91-I94 PolarHBondContact O-N 3.06Å; I94-L96 PolarHBondContact O-N 2.99Å; I94-I97 PolarHBondContact O-N 3.28Å; I94-L98 HydrophobicContact CG2-CD1 3.98Å; I94-L98 HydrophobicContact CG2-CG 4.43Å; I94-L98 VanDerWaalsContact O-CG 3.32Å; I94-L98 WeakPolarHBondContact O-CG 3.06Å; I94-L98 PolarHBondContact O-N 2.85Å; I94-L135 HydrophobicContact CG1-CD1 3.91Å; I94-L139 HydrophobicContact CD1-CD2 4.43Å
95	M	92.3	Very high	90.3	Very high	77 Å²	77	41.8 Å²	41.8	38%	0.379	23%	0.226	S	C	.	.	H	α-helix	trans	-60.3	-36.4	177.3	-68.3	-63.9	-84.9	0	0	111.9	I91 L92 L98 F99 L583	I91-M95 VanDerWaalsContact O-CG 3.32Å; I91-M95 WeakPolarHBondContact O-CG 3.43Å; I91-M95 PolarHBondContact O-N 3.19Å; L92-M95 PolarHBondContact O-N 2.94Å; M95-L98 PolarHBondContact O-N 3.43Å; M95-L98 HydrophobicContact SD-CD1 4.38Å; M95-F99 HydrophobicContact CB-CE2 4.48Å; M95-F99 HydrophobicContact CE-CE2 3.94Å; M95-F99 HydrophobicContact CE-CZ 3.71Å; M95-F99 WeakPolarHBondContact O-CD2 3.48Å; M95-F99 WeakPolarHBondContact O-CG 3.25Å; M95-F99 PolarHBondContact O-N 3.48Å; M95-L583 HydrophobicContact CB-CD2 3.97Å
96	L	92.3	Very high	90.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-46.6	177.7	-179.7	64.9	0	0	0	111.9	L92 L93 I94 L98 N100 L579 Y582 L583	L92-L96 VanDerWaalsContact O-CB 3.28Å; L92-L96 WeakPolarHBondContact O-CB 3.34Å; L92-L96 PolarHBondContact O-N 2.95Å; L93-L96 WeakPolarHBondContact O-CB 3.48Å; L93-L96 PolarHBondContact O-N 3.47Å; I94-L96 PolarHBondContact O-N 2.99Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-N100 WeakPolarHBondContact CD1-ND2 3.27Å; L96-N100 VanDerWaalsContact O-CB 3.31Å; L96-N100 WeakPolarHBondContact O-CB 3.27Å; L96-N100 PolarHBondContact O-N 2.99Å; L96-N100 PolarHBondContact O-ND2 3.14Å; L96-L579 HydrophobicContact CD2-CD1 3.59Å; L96-Y582 HydrophobicContact CD1-CG 4.42Å; L96-Y582 HydrophobicContact CD2-CD2 4.23Å; L96-L583 HydrophobicContact CB-CD2 3.76Å; L96-L583 HydrophobicContact CD1-CD2 4.03Å; L96-L583 VanDerWaalsContact N-CD2 3.28Å
97	I	93.6	Very high	91.1	Very high	30 Å²	30	39.5 Å²	39.5	15%	0.154	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-43.5	177.5	-67.6	160.1	0	0	0	109.7	L93 I94 S101 L132 L135	L93-I97 WeakPolarHBondContact O-CD1 3.26Å; L93-I97 VanDerWaalsContact O-CG1 3.32Å; L93-I97 WeakPolarHBondContact O-CG1 3.22Å; L93-I97 PolarHBondContact O-N 3.29Å; I94-I97 PolarHBondContact O-N 3.28Å; I97-S101 WeakPolarHBondContact O-CB 3.36Å; I97-S101 PolarHBondContact O-N 2.92Å; I97-S101 PolarHBondContact O-OG 3.49Å; I97-L132 HydrophobicContact CD1-CB 4.39Å; I97-L132 HydrophobicContact CD1-CD1 4.32Å; I97-L135 HydrophobicContact CD1-CB 4.32Å; I97-L135 HydrophobicContact CD1-CD2 3.54Å; I97-L135 HydrophobicContact CD1-CG 4.44Å
98	L	93.1	Very high	91.3	Very high	94 Å²	94	39 Å²	39	49%	0.492	22%	0.216	S	C	.	.	H	α-helix	trans	-60.6	-52.7	178.3	-70.9	173.8	0	0	0	112.1	I94 M95 L96 N100 S101 L102	I94-L98 HydrophobicContact CG2-CD1 3.98Å; I94-L98 HydrophobicContact CG2-CG 4.43Å; I94-L98 VanDerWaalsContact O-CG 3.32Å; I94-L98 WeakPolarHBondContact O-CG 3.06Å; I94-L98 PolarHBondContact O-N 2.85Å; M95-L98 PolarHBondContact O-N 3.43Å; M95-L98 HydrophobicContact SD-CD1 4.38Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L98-N100 PolarHBondContact O-N 2.72Å; L98-S101 PolarHBondContact O-N 3.19Å; L98-L102 WeakPolarHBondContact O-CG 3.5Å; L98-L102 PolarHBondContact O-N 3.37Å
99	F	92.3	Very high	91.2	Very high	54 Å²	54	38.2 Å²	38.2	24%	0.237	21%	0.208	C	C	.	.	H	α-helix	trans	-67.5	-36.8	-178.6	-70.1	-35	0	0	0	113.4	M95 L102 S103 L583 F586	M95-F99 HydrophobicContact CB-CE2 4.48Å; M95-F99 HydrophobicContact CE-CE2 3.94Å; M95-F99 HydrophobicContact CE-CZ 3.71Å; M95-F99 WeakPolarHBondContact O-CD2 3.48Å; M95-F99 WeakPolarHBondContact O-CG 3.25Å; M95-F99 PolarHBondContact O-N 3.48Å; F99-L102 HydrophobicContact CD1-CD1 4.45Å; F99-S103 PolarHBondContact O-N 3.05Å; F99-S103 PolarHBondContact O-OG 3.18Å; F99-L583 HydrophobicContact CD2-CB 4.4Å; F99-L583 HydrophobicContact CD2-CD2 3.77Å; F99-L583 HydrophobicContact CE2-CD2 4.34Å; F99-F586 HydrophobicContact CB-CB 3.84Å; F99-F586 HydrophobicContact CB-CD2 4.41Å; F99-F586 HydrophobicContact CB-CG 4.01Å; F99-F586 AromaticContact CD1-CD1 3.92Å; F99-F586 HydrophobicContact CD1-CD1 3.92Å; F99-F586 HydrophobicContact CD1-CE1 4.17Å; F99-F586 HydrophobicContact CD1-CG 4.2Å; F99-F586 HydrophobicContact CE1-CD1 4.35Å; F99-F586 HydrophobicContact CE1-CE1 4.42Å; F99-F586 HydrophobicContact CG-CB 4.27Å; F99-F586 HydrophobicContact CG-CD1 4.22Å; F99-F586 HydrophobicContact CG-CG 4.2Å
100	N	92	Very high	91.2	Very high	2 Å²	2	42 Å²	42	1%	0.011	23%	0.234	C	C	.	.	H	α-helix	trans	-71.6	-35.6	174.2	-79.8	-48.4	0	0	0	112.2	L96 L98 L102 S103 V104 M128	L96-N100 WeakPolarHBondContact CD1-ND2 3.27Å; L96-N100 VanDerWaalsContact O-CB 3.31Å; L96-N100 WeakPolarHBondContact O-CB 3.27Å; L96-N100 PolarHBondContact O-N 2.99Å; L96-N100 PolarHBondContact O-ND2 3.14Å; L98-N100 PolarHBondContact O-N 2.72Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.27Å; N100-S103 WeakPolarHBondContact O-CB 3.3Å; N100-S103 PolarHBondContact O-N 3.46Å; N100-S103 VanDerWaalsContact O-N 3.16Å; N100-V104 VanDerWaalsContact O-CG2 3.3Å; N100-V104 WeakPolarHBondContact O-CG2 3.43Å; N100-V104 PolarHBondContact O-N 3.04Å; N100-M128 HydrophobicContact CB-CB 3.86Å; N100-M128 HydrophobicContact CB-CG 4.32Å
101	S	92.6	Very high	90.8	Very high	51 Å²	51	46 Å²	46	36%	0.357	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-43.6	173.6	-62.5	0	0	0	0	111.5	I97 L98 V104 A105	I97-S101 WeakPolarHBondContact O-CB 3.36Å; I97-S101 PolarHBondContact O-N 2.92Å; I97-S101 PolarHBondContact O-OG 3.49Å; L98-S101 PolarHBondContact O-N 3.19Å; S101-V104 PolarHBondContact O-N 3.34Å; S101-A105 WeakPolarHBondContact O-CB 3.23Å; S101-A105 PolarHBondContact O-N 3.35Å
102	L	91.4	Very high	90.3	Very high	58 Å²	58	41.4 Å²	41.4	30%	0.304	24%	0.235	S	C	.	.	H	α-helix	trans	-61.5	-43	173	-70.8	171.4	0	0	0	111.7	L98 F99 N100 A105 V106 F586 F600	L98-L102 WeakPolarHBondContact O-CG 3.5Å; L98-L102 PolarHBondContact O-N 3.37Å; F99-L102 HydrophobicContact CD1-CD1 4.45Å; N100-L102 VanDerWaalsContact C-N 3.34Å; N100-L102 PolarHBondContact O-N 3.27Å; L102-A105 PolarHBondContact O-N 3.14Å; L102-V106 WeakPolarHBondContact O-CG2 3.38Å; L102-V106 PolarHBondContact O-N 3.01Å; L102-F586 HydrophobicContact CB-CE2 4.07Å; L102-F600 HydrophobicContact CB-CE2 4.35Å; L102-F600 HydrophobicContact CD1-CE2 4.34Å; L102-F600 HydrophobicContact CD2-CE2 4.36Å
103	S	91.1	Very high	90	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-45	176.8	-58.4	0	0	0	0	112.2	F99 N100 A105 V106 L107 F586	F99-S103 PolarHBondContact O-N 3.05Å; F99-S103 PolarHBondContact O-OG 3.18Å; N100-S103 WeakPolarHBondContact O-CB 3.3Å; N100-S103 PolarHBondContact O-N 3.46Å; N100-S103 VanDerWaalsContact O-N 3.16Å; S103-A105 VanDerWaalsContact C-N 3.34Å; S103-A105 PolarHBondContact O-N 3.45Å; S103-V106 PolarHBondContact O-N 2.74Å; S103-L107 WeakPolarHBondContact O-CB 3.38Å; S103-L107 VanDerWaalsContact O-CG 3.25Å; S103-L107 WeakPolarHBondContact O-CG 3.49Å; S103-L107 PolarHBondContact O-N 3.33Å; S103-F586 WeakPolarHBondContact OG-CD2 3.39Å
104	V	92.8	Very high	89.7	Confident	31 Å²	31	48.6 Å²	48.6	19%	0.188	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-44.5	175.6	168.8	0	0	0	0	110.6	N100 S101 V106 L107 T108 L121 I125	N100-V104 VanDerWaalsContact O-CG2 3.3Å; N100-V104 WeakPolarHBondContact O-CG2 3.43Å; N100-V104 PolarHBondContact O-N 3.04Å; S101-V104 PolarHBondContact O-N 3.34Å; V104-V106 VanDerWaalsContact C-N 3.33Å; V104-V106 PolarHBondContact O-N 3.47Å; V104-L107 PolarHBondContact O-N 2.98Å; V104-T108 WeakPolarHBondContact O-CB 3.33Å; V104-T108 PolarHBondContact O-N 3.29Å; V104-T108 PolarHBondContact O-OG1 2.89Å; V104-L121 HydrophobicContact CB-CD1 4.3Å; V104-L121 HydrophobicContact CG1-CD1 4.08Å; V104-L121 HydrophobicContact CG2-CD1 4.12Å; V104-I125 HydrophobicContact CG2-CG1 4.04Å
105	A	91.1	Very high	89.5	Confident	44 Å²	44	46.4 Å²	46.4	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-60.3	-40.4	177.7	0	0	0	0	0	112.5	S101 L102 S103 L603	S101-A105 WeakPolarHBondContact O-CB 3.23Å; S101-A105 PolarHBondContact O-N 3.35Å; L102-A105 PolarHBondContact O-N 3.14Å; S103-A105 VanDerWaalsContact C-N 3.34Å; S103-A105 PolarHBondContact O-N 3.45Å; A105-L603 HydrophobicContact CB-CD1 4.39Å
106	V	89.9	Confident	89.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-69.1	-48.1	175.7	177.8	0	0	0	0	111.5	L102 S103 V104 T108 R109 M112 F596 Q599 F600 L603	L102-V106 WeakPolarHBondContact O-CG2 3.38Å; L102-V106 PolarHBondContact O-N 3.01Å; S103-V106 PolarHBondContact O-N 2.74Å; V104-V106 VanDerWaalsContact C-N 3.33Å; V104-V106 PolarHBondContact O-N 3.47Å; V106-T108 VanDerWaalsContact C-N 3.29Å; V106-T108 PolarHBondContact O-N 3.3Å; V106-R109 WeakPolarHBondContact O-CB 3.3Å; V106-R109 PolarHBondContact O-N 3.22Å; V106-M112 HydrophobicContact CG1-CE 4.34Å; V106-F596 HydrophobicContact CB-CD2 4Å; V106-F596 HydrophobicContact CB-CE2 3.6Å; V106-F596 HydrophobicContact CB-CZ 4.07Å; V106-F596 HydrophobicContact CG1-CD1 4.5Å; V106-F596 HydrophobicContact CG1-CD2 3.36Å; V106-F596 HydrophobicContact CG1-CE2 3.53Å; V106-F596 HydrophobicContact CG1-CG 3.89Å; V106-F596 HydrophobicContact CG1-CZ 4.18Å; V106-F596 HydrophobicContact CG2-CE2 4.11Å; V106-F596 HydrophobicContact CG2-CZ 4.06Å; V106-Q599 HydrophobicContact CG1-CB 3.84Å; V106-F600 HydrophobicContact CG2-CB 3.8Å; V106-F600 HydrophobicContact CG2-CD2 3.75Å; V106-F600 HydrophobicContact CG2-CG 4.26Å; V106-L603 HydrophobicContact CB-CD1 4.45Å; V106-L603 HydrophobicContact CG2-CD1 3.43Å; V106-L603 VanDerWaalsContact CG2-CD1 3.43Å
107	L	89.2	Confident	89.1	Confident	7 Å²	7	46 Å²	46	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-71.3	-22.4	-173.8	-69.9	172.4	0	0	0	113.4	S103 V104 R109 F117 L120 L121 T124 F596	S103-L107 WeakPolarHBondContact O-CB 3.38Å; S103-L107 VanDerWaalsContact O-CG 3.25Å; S103-L107 WeakPolarHBondContact O-CG 3.49Å; S103-L107 PolarHBondContact O-N 3.33Å; V104-L107 PolarHBondContact O-N 2.98Å; L107-R109 VanDerWaalsContact C-N 3.26Å; L107-R109 PolarHBondContact O-N 3.46Å; L107-F117 HydrophobicContact CD2-CB 4.29Å; L107-F117 HydrophobicContact CD2-CD1 3.81Å; L107-F117 HydrophobicContact CD2-CG 4.28Å; L107-L120 HydrophobicContact CD1-CB 4.37Å; L107-L121 HydrophobicContact CB-CB 4.29Å; L107-L121 HydrophobicContact CB-CD1 4Å; L107-L121 HydrophobicContact CD1-CB 4.38Å; L107-T124 HydrophobicContact CD1-CG2 4.05Å; L107-F596 HydrophobicContact CD2-CD2 4.27Å; L107-F596 HydrophobicContact CG-CE2 4.31Å
108	T	90.4	Very high	88.9	Confident	81 Å²	81	45.6 Å²	45.6	50%	0.497	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15	177.3	-56.8	0	0	0	0	112.7	V104 V106	V104-T108 WeakPolarHBondContact O-CB 3.33Å; V104-T108 PolarHBondContact O-N 3.29Å; V104-T108 PolarHBondContact O-OG1 2.89Å; V106-T108 VanDerWaalsContact C-N 3.29Å; V106-T108 PolarHBondContact O-N 3.3Å
109	R	88.3	Confident	88.9	Confident	46 Å²	46	41.1 Å²	41.1	17%	0.174	23%	0.234	C	C	.	.	S	Bend	trans	-61.1	143.3	179.8	-73.9	-164.4	166.6	-160.2	-3	111.9	V106 L107 T111 M112 Q599 N602	V106-R109 WeakPolarHBondContact O-CB 3.3Å; V106-R109 PolarHBondContact O-N 3.22Å; L107-R109 VanDerWaalsContact C-N 3.26Å; L107-R109 PolarHBondContact O-N 3.46Å; R109-T111 PolarHBondContact O-N 3.48Å; R109-T111 VanDerWaalsContact O-N 3.14Å; R109-M112 WeakPolarHBondContact O-CB 3.49Å; R109-M112 PolarHBondContact O-N 3.44Å; R109-Q599 VanDerWaalsContact CD-OE1 3.28Å; R109-N602 PolarHBondContact NH1-O 2.87Å; R109-N602 PolarHBondContact NH2-O 3.26Å
110	P	84.9	Confident	88.8	Confident	100 Å²	100	39 Å²	39	65%	0.649	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-60.6	-29.9	-174.2	23.4	-33.9	0	0	0	113.7	M112 K113	P110-M112 PolarHBondContact O-N 3.31Å; P110-K113 PolarHBondContact O-N 3.24Å
111	T	82.1	Confident	88.9	Confident	92 Å²	92	40.7 Å²	40.7	56%	0.564	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-68.3	-15.6	176.2	51.9	0	0	0	0	113.5	R109 Q599	R109-T111 PolarHBondContact O-N 3.48Å; R109-T111 VanDerWaalsContact O-N 3.14Å; T111-Q599 PolarHBondContact OG1-NE2 3.49Å
112	M	81.9	Confident	88.9	Confident	3 Å²	3	39 Å²	39	2%	0.015	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-100.3	4.8	-179.9	-67.7	-63	-165.2	0	0	113.4	V106 R109 P110 T114 F117 P595 F596 Q599	V106-M112 HydrophobicContact CG1-CE 4.34Å; R109-M112 WeakPolarHBondContact O-CB 3.49Å; R109-M112 PolarHBondContact O-N 3.44Å; P110-M112 PolarHBondContact O-N 3.31Å; M112-T114 VanDerWaalsContact C-N 3.25Å; M112-T114 PolarHBondContact O-N 3.19Å; M112-F117 HydrophobicContact CB-CD2 4.38Å; M112-F117 WeakPolarHBondContact O-CB 3.45Å; M112-F117 WeakPolarHBondContact O-CD2 3.33Å; M112-F117 HydrophobicContact SD-CD2 3.89Å; M112-F117 HydrophobicContact SD-CE2 3.68Å; M112-F117 HydrophobicContact SD-CG 4.48Å; M112-F117 HydrophobicContact SD-CZ 4.08Å; M112-P595 HydrophobicContact CE-CB 3.69Å; M112-P595 HydrophobicContact CE-CG 4.39Å; M112-P595 WeakPolarHBondContact CE-O 3.07Å; M112-P595 HydrophobicContact SD-CB 4.18Å; M112-F596 HydrophobicContact CE-CB 4.22Å; M112-Q599 HydrophobicContact CE-CB 3.84Å; M112-Q599 HydrophobicContact CE-CG 3.51Å; M112-Q599 HydrophobicContact CG-CG 4.24Å
113	K	83.6	Confident	89	Confident	130 Å²	130	36.6 Å²	36.6	57%	0.565	21%	0.212	S	C	*	.			trans	-77.4	73.7	-177.5	-67.9	-177.9	177.7	179.6	0	111.7	P110	P110-K113 PolarHBondContact O-N 3.24Å
114	T	86.3	Confident	89.1	Confident	51 Å²	51	36.6 Å²	36.6	31%	0.313	21%	0.212	S	C	.	.	S	Bend	trans	-113.9	158.6	169.3	73.2	0	0	0	0	110.5	M112 V116 F117 T118	M112-T114 VanDerWaalsContact C-N 3.25Å; M112-T114 PolarHBondContact O-N 3.19Å; T114-V116 VanDerWaalsContact C-N 3.26Å; T114-V116 PolarHBondContact O-N 2.97Å; T114-F117 HydrophobicContact CG2-CD2 3.99Å; T114-F117 HydrophobicContact CG2-CE2 4.45Å; T114-F117 PolarHBondContact O-N 3.07Å; T114-F117 WeakPolarHBondContact OG1-CD2 3.37Å; T114-F117 PolarHBondContact OG1-N 3.23Å; T114-T118 WeakPolarHBondContact O-CB 3.32Å; T114-T118 PolarHBondContact O-N 3.38Å; T114-T118 PolarHBondContact O-OG1 2.84Å
115	P	87.9	Confident	89.1	Confident	24 Å²	24	38.6 Å²	38.6	16%	0.156	22%	0.22	C	C	.	.	H	α-helix	trans	-54.9	-40.4	176.5	-28.1	37	0	0	0	112.9	T118 V119 F227 I229 V232	P115-T118 PolarHBondContact O-N 3.32Å; P115-V119 PolarHBondContact O-N 2.79Å; P115-F227 HydrophobicContact CB-CB 4.23Å; P115-F227 WeakPolarHBondContact CG-O 3.33Å; P115-I229 HydrophobicContact CG-CG1 4.45Å; P115-V232 HydrophobicContact CB-CG2 3.94Å
116	V	87.5	Confident	89.3	Confident	28 Å²	28	37.4 Å²	37.4	17%	0.17	21%	0.209	C	C	.	.	H	α-helix	trans	-68.4	-46.2	179.2	179.3	0	0	0	0	111.4	T114 T118 V119 L120 Q212 Y216	T114-V116 VanDerWaalsContact C-N 3.26Å; T114-V116 PolarHBondContact O-N 2.97Å; V116-T118 PolarHBondContact O-N 3.37Å; V116-V119 PolarHBondContact O-N 3.31Å; V116-L120 HydrophobicContact CG1-CD1 4.31Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.4Å; V116-Q212 HydrophobicContact CG2-CG 4.46Å; V116-Y216 HydrophobicContact CG2-CD2 4.23Å; V116-Y216 HydrophobicContact CG2-CE2 3.85Å
117	F	88.6	Confident	89.4	Confident	40 Å²	40	37.7 Å²	37.7	18%	0.175	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-25.6	177.2	-71.2	-47.2	0	0	0	112.6	L107 M112 T114 L120 L121 P595	L107-F117 HydrophobicContact CD2-CB 4.29Å; L107-F117 HydrophobicContact CD2-CD1 3.81Å; L107-F117 HydrophobicContact CD2-CG 4.28Å; M112-F117 HydrophobicContact CB-CD2 4.38Å; M112-F117 WeakPolarHBondContact O-CB 3.45Å; M112-F117 WeakPolarHBondContact O-CD2 3.33Å; M112-F117 HydrophobicContact SD-CD2 3.89Å; M112-F117 HydrophobicContact SD-CE2 3.68Å; M112-F117 HydrophobicContact SD-CG 4.48Å; M112-F117 HydrophobicContact SD-CZ 4.08Å; T114-F117 HydrophobicContact CG2-CD2 3.99Å; T114-F117 HydrophobicContact CG2-CE2 4.45Å; T114-F117 PolarHBondContact O-N 3.07Å; T114-F117 WeakPolarHBondContact OG1-CD2 3.37Å; T114-F117 PolarHBondContact OG1-N 3.23Å; F117-L120 HydrophobicContact CD1-CD1 3.79Å; F117-L120 HydrophobicContact CE1-CD1 4.21Å; F117-L120 PolarHBondContact O-N 3.06Å; F117-L121 VanDerWaalsContact O-CB 3.32Å; F117-L121 WeakPolarHBondContact O-CB 3.43Å; F117-L121 PolarHBondContact O-N 3.34Å; F117-P595 HydrophobicContact CZ-CG 4.03Å
118	T	91.1	Very high	89.5	Confident	22 Å²	22	39.6 Å²	39.6	14%	0.135	22%	0.219	C	C	.	.	H	α-helix	trans	-66.4	-41.6	173.1	-56.7	0	0	0	0	111.3	T114 P115 V116 L121 G122 V232 R233	T114-T118 WeakPolarHBondContact O-CB 3.32Å; T114-T118 PolarHBondContact O-N 3.38Å; T114-T118 PolarHBondContact O-OG1 2.84Å; P115-T118 PolarHBondContact O-N 3.32Å; V116-T118 PolarHBondContact O-N 3.37Å; T118-L121 PolarHBondContact O-N 3.44Å; T118-G122 PolarHBondContact O-N 2.87Å; T118-V232 HydrophobicContact CG2-CG1 4.07Å; T118-R233 HydrophobicContact CG2-CG 3.95Å
119	V	92.5	Very high	89.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.3	-44	173.3	-172.1	0	0	0	0	110.9	P115 V116 L121 G122 I123 L205 F208 V209 V232	P115-V119 PolarHBondContact O-N 2.79Å; V116-V119 PolarHBondContact O-N 3.31Å; V119-L121 VanDerWaalsContact C-N 3.29Å; V119-L121 PolarHBondContact O-N 3.36Å; V119-G122 CarbonylContact O-C 3.6Å; V119-G122 WeakPolarHBondContact O-CA 3.43Å; V119-G122 PolarHBondContact O-N 2.97Å; V119-I123 HydrophobicContact CG1-CD1 4.26Å; V119-I123 PolarHBondContact O-N 3.26Å; V119-L205 HydrophobicContact CG1-CB 4.22Å; V119-L205 HydrophobicContact CG1-CD2 4.31Å; V119-F208 HydrophobicContact CG1-CD1 4.07Å; V119-F208 HydrophobicContact CG2-CD1 3.73Å; V119-F208 HydrophobicContact CG2-CE1 3.63Å; V119-V209 HydrophobicContact CB-CG2 3.67Å; V119-V209 HydrophobicContact CG1-CG2 3.26Å; V119-V209 HydrophobicContact CG2-CG2 4.46Å; V119-V232 HydrophobicContact CG2-CG1 3.33Å
120	L	90.6	Very high	89.8	Confident	9 Å²	9	36 Å²	36	5%	0.047	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-40.7	177.3	-70.4	173	0	0	0	111.5	L107 V116 F117 G122 I123 T124 V209 M473 F589	L107-L120 HydrophobicContact CD1-CB 4.37Å; V116-L120 HydrophobicContact CG1-CD1 4.31Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.4Å; F117-L120 HydrophobicContact CD1-CD1 3.79Å; F117-L120 HydrophobicContact CE1-CD1 4.21Å; F117-L120 PolarHBondContact O-N 3.06Å; L120-G122 VanDerWaalsContact C-N 3.33Å; L120-G122 PolarHBondContact O-N 3.43Å; L120-I123 HydrophobicContact CD2-CD1 4.32Å; L120-I123 PolarHBondContact O-N 3.49Å; L120-T124 WeakPolarHBondContact O-CG2 3.47Å; L120-T124 PolarHBondContact O-N 2.88Å; L120-T124 PolarHBondContact O-OG1 3.12Å; L120-V209 HydrophobicContact CD2-CG2 4.46Å; L120-M473 HydrophobicContact CD1-CE 4.42Å; L120-F589 HydrophobicContact CD1-CE1 4.21Å; L120-F589 HydrophobicContact CD2-CE1 3.79Å; L120-F589 HydrophobicContact CD2-CZ 3.99Å; L120-F589 HydrophobicContact CG-CE1 4.48Å
121	L	92.6	Very high	90	Very high	38 Å²	38	31.3 Å²	31.3	20%	0.199	17%	0.172	C	C	.	.	H	α-helix	trans	-58.7	-45.8	172.2	177.8	64.2	0	0	0	110.8	V104 L107 F117 T118 V119 I123 T124 I125	V104-L121 HydrophobicContact CB-CD1 4.3Å; V104-L121 HydrophobicContact CG1-CD1 4.08Å; V104-L121 HydrophobicContact CG2-CD1 4.12Å; L107-L121 HydrophobicContact CB-CB 4.29Å; L107-L121 HydrophobicContact CB-CD1 4Å; L107-L121 HydrophobicContact CD1-CB 4.38Å; F117-L121 VanDerWaalsContact O-CB 3.32Å; F117-L121 WeakPolarHBondContact O-CB 3.43Å; F117-L121 PolarHBondContact O-N 3.34Å; T118-L121 PolarHBondContact O-N 3.44Å; V119-L121 VanDerWaalsContact C-N 3.29Å; V119-L121 PolarHBondContact O-N 3.36Å; L121-I123 PolarHBondContact O-N 3.24Å; L121-T124 WeakPolarHBondContact CA-OG1 3.03Å; L121-T124 PolarHBondContact O-N 3.43Å; L121-T124 PolarHBondContact O-OG1 2.9Å; L121-I125 HydrophobicContact CD1-CD1 4.05Å; L121-I125 HydrophobicContact CD1-CG1 4.3Å; L121-I125 HydrophobicContact CG-CD1 3.89Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.23Å; L121-I125 PolarHBondContact O-N 3.42Å
122	G	93.4	Very high	90.6	Very high	15 Å²	15	31.4 Å²	31.4	16%	0.155	17%	0.169	C	C	.	.	H	α-helix	trans	-55.9	-46.4	173.7	0	0	0	0	0	112.9	T118 V119 L120 T124 I125 V126	T118-G122 PolarHBondContact O-N 2.87Å; V119-G122 CarbonylContact O-C 3.6Å; V119-G122 WeakPolarHBondContact O-CA 3.43Å; V119-G122 PolarHBondContact O-N 2.97Å; L120-G122 VanDerWaalsContact C-N 3.33Å; L120-G122 PolarHBondContact O-N 3.43Å; G122-T124 PolarHBondContact O-N 3.21Å; G122-I125 PolarHBondContact O-N 3.47Å; G122-V126 VanDerWaalsContact O-CG2 3.28Å; G122-V126 WeakPolarHBondContact O-CG2 3.3Å; G122-V126 PolarHBondContact O-N 3.01Å
123	I	92.9	Very high	91.1	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-49.2	175.1	-66.5	166.3	0	0	0	110.3	V119 L120 L121 I125 V126 E127 L205 V209	V119-I123 HydrophobicContact CG1-CD1 4.26Å; V119-I123 PolarHBondContact O-N 3.26Å; L120-I123 HydrophobicContact CD2-CD1 4.32Å; L120-I123 PolarHBondContact O-N 3.49Å; L121-I123 PolarHBondContact O-N 3.24Å; I123-I125 VanDerWaalsContact C-N 3.33Å; I123-I125 PolarHBondContact O-N 2.92Å; I123-V126 PolarHBondContact O-N 2.95Å; I123-E127 HydrophobicContact CG2-CG 4.15Å; I123-E127 WeakPolarHBondContact CG2-OE1 3.26Å; I123-E127 WeakPolarHBondContact O-CB 3.42Å; I123-E127 WeakPolarHBondContact O-CG 3.24Å; I123-E127 PolarHBondContact O-N 3.13Å; I123-L205 HydrophobicContact CD1-CB 4.07Å; I123-L205 HydrophobicContact CG1-CB 3.57Å; I123-L205 HydrophobicContact CG1-CD1 4.15Å; I123-V209 HydrophobicContact CD1-CG2 3.91Å
124	T	92.6	Very high	91.3	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-35	-179.3	57.4	0	0	0	0	113.5	L107 L120 L121 G122 M128 F589	L107-T124 HydrophobicContact CD1-CG2 4.05Å; L120-T124 WeakPolarHBondContact O-CG2 3.47Å; L120-T124 PolarHBondContact O-N 2.88Å; L120-T124 PolarHBondContact O-OG1 3.12Å; L121-T124 WeakPolarHBondContact CA-OG1 3.03Å; L121-T124 PolarHBondContact O-N 3.43Å; L121-T124 PolarHBondContact O-OG1 2.9Å; G122-T124 PolarHBondContact O-N 3.21Å; T124-M128 WeakPolarHBondContact O-CB 3.26Å; T124-M128 PolarHBondContact O-N 3.35Å; T124-F589 HydrophobicContact CG2-CE2 3.77Å; T124-F589 HydrophobicContact CG2-CZ 4.38Å
125	I	94.2	Very high	91.5	Very high	73 Å²	73	26.3 Å²	26.3	37%	0.374	15%	0.146	S	C	.	.	H	α-helix	trans	-68.4	-43.4	176.7	-69.4	167.2	0	0	0	110.5	V104 L121 G122 I123 M128 S129	V104-I125 HydrophobicContact CG2-CG1 4.04Å; L121-I125 HydrophobicContact CD1-CD1 4.05Å; L121-I125 HydrophobicContact CD1-CG1 4.3Å; L121-I125 HydrophobicContact CG-CD1 3.89Å; L121-I125 VanDerWaalsContact O-CG1 3.32Å; L121-I125 WeakPolarHBondContact O-CG1 3.23Å; L121-I125 PolarHBondContact O-N 3.42Å; G122-I125 PolarHBondContact O-N 3.47Å; I123-I125 VanDerWaalsContact C-N 3.33Å; I123-I125 PolarHBondContact O-N 2.92Å; I125-M128 PolarHBondContact O-N 2.83Å; I125-S129 WeakPolarHBondContact O-CB 3.23Å; I125-S129 PolarHBondContact O-N 3.4Å; I125-S129 PolarHBondContact O-OG 3.27Å
126	V	94.2	Very high	91.6	Very high	19 Å²	19	28.1 Å²	28.1	12%	0.115	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-41.8	178.8	172.7	0	0	0	0	110.9	G122 I123 S129 N130 C198 T201 A202	G122-V126 VanDerWaalsContact O-CG2 3.28Å; G122-V126 WeakPolarHBondContact O-CG2 3.3Å; G122-V126 PolarHBondContact O-N 3.01Å; I123-V126 PolarHBondContact O-N 2.95Å; V126-S129 WeakPolarHBondContact O-CB 3.35Å; V126-S129 PolarHBondContact O-N 3.48Å; V126-N130 PolarHBondContact O-N 3.48Å; V126-C198 HydrophobicContact CG1-CB 3.73Å; V126-C198 WeakPolarHBondContact CG1-O 3.45Å; V126-T201 HydrophobicContact CG1-CG2 4.24Å; V126-T201 HydrophobicContact CG2-CG2 3.96Å; V126-A202 HydrophobicContact CG1-CB 4.16Å
127	E	91.8	Very high	91.3	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.028	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-37.7	174.9	-72.3	179.4	166.9	0	0	112.4	I123 S129 N130 G131 A202 Y582 N585	I123-E127 HydrophobicContact CG2-CG 4.15Å; I123-E127 WeakPolarHBondContact CG2-OE1 3.26Å; I123-E127 WeakPolarHBondContact O-CB 3.42Å; I123-E127 WeakPolarHBondContact O-CG 3.24Å; I123-E127 PolarHBondContact O-N 3.13Å; E127-S129 VanDerWaalsContact C-N 3.34Å; E127-N130 WeakPolarHBondContact O-CB 3.31Å; E127-N130 PolarHBondContact O-N 3.38Å; E127-G131 PolarHBondContact O-N 3.39Å; E127-A202 HydrophobicContact CG-CB 4.23Å; E127-Y582 HydrophobicContact CG-CD1 4.06Å; E127-Y582 HydrophobicContact CG-CE1 4.37Å; E127-Y582 HydrophobicContact CG-CG 4.45Å; E127-Y582 WeakPolarHBondContact OE1-CD1 3.41Å; E127-N585 PolarHBondContact OE1-ND2 3.08Å; E127-N585 PolarHBondContact OE2-ND2 3.04Å
128	M	92.9	Very high	91.1	Very high	46 Å²	46	28.3 Å²	28.3	23%	0.227	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-43.4	171.3	-173.2	-179.6	73.9	0	0	111.2	N100 T124 I125 N130 G131 L132	N100-M128 HydrophobicContact CB-CB 3.86Å; N100-M128 HydrophobicContact CB-CG 4.32Å; T124-M128 WeakPolarHBondContact O-CB 3.26Å; T124-M128 PolarHBondContact O-N 3.35Å; I125-M128 PolarHBondContact O-N 2.83Å; M128-N130 VanDerWaalsContact C-N 3.31Å; M128-N130 PolarHBondContact O-N 2.78Å; M128-G131 PolarHBondContact O-N 3.36Å; M128-G131 VanDerWaalsContact O-N 3.08Å; M128-L132 WeakPolarHBondContact O-CB 3.35Å; M128-L132 PolarHBondContact O-N 3.11Å
129	S	93.6	Very high	90.9	Very high	36 Å²	36	29.6 Å²	29.6	25%	0.252	16%	0.162	S	C	.	.	H	α-helix	trans	-62.9	-40.2	177.3	-56.1	0	0	0	0	111.2	I125 V126 E127 G131 L132 L133	I125-S129 WeakPolarHBondContact O-CB 3.23Å; I125-S129 PolarHBondContact O-N 3.4Å; I125-S129 PolarHBondContact O-OG 3.27Å; V126-S129 WeakPolarHBondContact O-CB 3.35Å; V126-S129 PolarHBondContact O-N 3.48Å; E127-S129 VanDerWaalsContact C-N 3.34Å; S129-G131 PolarHBondContact O-N 2.93Å; S129-L132 PolarHBondContact O-N 3.42Å; S129-L133 WeakPolarHBondContact O-CB 3.38Å; S129-L133 WeakPolarHBondContact O-CD1 3.34Å; S129-L133 WeakPolarHBondContact O-CG 3.42Å; S129-L133 PolarHBondContact O-N 2.87Å
130	N	90.4	Very high	90.5	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.091	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-27.3	174.3	-165.4	52.7	0	0	0	113.1	V126 E127 M128 P134 P195 C198 Y582	V126-N130 PolarHBondContact O-N 3.48Å; E127-N130 WeakPolarHBondContact O-CB 3.31Å; E127-N130 PolarHBondContact O-N 3.38Å; M128-N130 VanDerWaalsContact C-N 3.31Å; M128-N130 PolarHBondContact O-N 2.78Å; N130-P134 WeakPolarHBondContact O-CD 3.37Å; N130-P134 VanDerWaalsContact O-CG 3.27Å; N130-P134 WeakPolarHBondContact O-CG 3.38Å; N130-P195 WeakPolarHBondContact OD1-CA 3.22Å; N130-P195 WeakPolarHBondContact OD1-CB 3.34Å; N130-P195 PolarHBondContact OD1-O 2.8Å; N130-P195 VanDerWaalsContact OD1-O 3.04Å; N130-C198 HydrophobicContact CB-CB 3.97Å; N130-Y582 VanDerWaalsContact ND2-CE2 3.32Å; N130-Y582 WeakPolarHBondContact ND2-CE2 3.44Å
131	G	90.4	Very high	89.9	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-82.1	-43.6	171.7	0	0	0	0	0	113.5	E127 M128 S129 P134 L135	E127-G131 PolarHBondContact O-N 3.39Å; M128-G131 PolarHBondContact O-N 3.36Å; M128-G131 VanDerWaalsContact O-N 3.08Å; S129-G131 PolarHBondContact O-N 2.93Å; G131-P134 WeakPolarHBondContact O-CD 3.43Å; G131-L135 WeakPolarHBondContact O-CB 3.34Å; G131-L135 PolarHBondContact O-N 2.88Å
132	L	93.5	Very high	89.4	Confident	95 Å²	95	33.1 Å²	33.1	50%	0.497	19%	0.185	S	C	.	.	H	α-helix	trans	-69.7	-38.1	-174.6	-175.9	63.8	0	0	0	113.2	I97 M128 S129 P136	I97-L132 HydrophobicContact CD1-CB 4.39Å; I97-L132 HydrophobicContact CD1-CD1 4.32Å; M128-L132 WeakPolarHBondContact O-CB 3.35Å; M128-L132 PolarHBondContact O-N 3.11Å; S129-L132 PolarHBondContact O-N 3.42Å; L132-P136 WeakPolarHBondContact O-CD 3.21Å
133	L	92.2	Very high	89	Confident	45 Å²	45	40.2 Å²	40.2	24%	0.236	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-53.9	-178.4	-73.7	163.9	0	0	0	112.9	S129 T190 L194 P195	S129-L133 WeakPolarHBondContact O-CB 3.38Å; S129-L133 WeakPolarHBondContact O-CD1 3.34Å; S129-L133 WeakPolarHBondContact O-CG 3.42Å; S129-L133 PolarHBondContact O-N 2.87Å; L133-T190 CarbonylContact C-O 3.55Å; L133-T190 WeakPolarHBondContact O-CB 3.43Å; L133-L194 HydrophobicContact CD1-CB 3.51Å; L133-L194 HydrophobicContact CD1-CD1 4.46Å; L133-L194 HydrophobicContact CD2-CB 4.28Å; L133-L194 HydrophobicContact CD2-CD1 3.73Å; L133-L194 HydrophobicContact CG-CB 4.46Å; L133-P195 HydrophobicContact CB-CG 4.32Å
134	P	88.8	Confident	88.2	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.058	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-18.3	-179	30.5	-37.2	0	0	0	114.4	L93 N130 G131 M137 Y138 T191	L93-P134 HydrophobicContact CD1-CB 4.5Å; L93-P134 HydrophobicContact CD1-CG 4.16Å; L93-P134 HydrophobicContact CD2-CG 4.03Å; N130-P134 WeakPolarHBondContact O-CD 3.37Å; N130-P134 VanDerWaalsContact O-CG 3.27Å; N130-P134 WeakPolarHBondContact O-CG 3.38Å; G131-P134 WeakPolarHBondContact O-CD 3.43Å; P134-M137 PolarHBondContact O-N 3.27Å; P134-M137 VanDerWaalsContact O-N 3.13Å; P134-Y138 HydrophobicContact CB-CD2 3.76Å; P134-Y138 HydrophobicContact CB-CE2 3.56Å; P134-Y138 HydrophobicContact CG-CE2 4.49Å; P134-Y138 VanDerWaalsContact O-CD2 3.29Å; P134-Y138 WeakPolarHBondContact O-CD2 3.2Å; P134-Y138 PolarHBondContact O-N 3.28Å; P134-Y138 VanDerWaalsContact O-N 3.13Å; P134-T191 HydrophobicContact CB-CG2 4.21Å
135	L	90.3	Very high	86.8	Confident	22 Å²	22	49 Å²	49	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-54.8	-48.3	-173.4	176.4	73.5	0	0	0	113.6	L93 I94 I97 G131 M137 Y138 L139	L93-L135 HydrophobicContact CB-CD1 3.87Å; L93-L135 HydrophobicContact CD1-CB 4.49Å; L93-L135 HydrophobicContact CD1-CD1 4.47Å; I94-L135 HydrophobicContact CG1-CD1 3.91Å; I97-L135 HydrophobicContact CD1-CB 4.32Å; I97-L135 HydrophobicContact CD1-CD2 3.54Å; I97-L135 HydrophobicContact CD1-CG 4.44Å; G131-L135 WeakPolarHBondContact O-CB 3.34Å; G131-L135 PolarHBondContact O-N 2.88Å; L135-M137 PolarHBondContact O-N 3.29Å; L135-Y138 PolarHBondContact O-N 2.91Å; L135-L139 HydrophobicContact CD1-CD1 3.88Å; L135-L139 HydrophobicContact CD1-CD2 4.31Å; L135-L139 HydrophobicContact CD1-CG 3.75Å; L135-L139 HydrophobicContact CD2-CD1 4.08Å; L135-L139 HydrophobicContact CG-CD1 3.7Å; L135-L139 HydrophobicContact CG-CG 4.01Å; L135-L139 WeakPolarHBondContact O-CB 3.49Å; L135-L139 WeakPolarHBondContact O-CG 3.38Å; L135-L139 PolarHBondContact O-N 3.48Å
136	P	89.3	Confident	85.3	Confident	62 Å²	62	49.7 Å²	49.7	40%	0.403	26%	0.258	S	S	.	.	H	α-helix	trans	-54.8	-40.1	178.7	-27.2	34.7	0	0	0	112.7	L132 L140	L132-P136 WeakPolarHBondContact O-CD 3.21Å; P136-L140 WeakPolarHBondContact O-CB 3.26Å; P136-L140 VanDerWaalsContact O-CG 3.23Å; P136-L140 WeakPolarHBondContact O-CG 3.4Å; P136-L140 PolarHBondContact O-N 3.42Å
137	M	82.5	Confident	83.8	Confident	30 Å²	30	49.4 Å²	49.4	15%	0.148	26%	0.257	C	S	.	.	H	α-helix	trans	-69.6	-44.1	-178.9	-61.7	-61.4	135.9	0	0	111.6	P134 L135 L140 R141 W149 I186 L187 T190 T191	P134-M137 PolarHBondContact O-N 3.27Å; P134-M137 VanDerWaalsContact O-N 3.13Å; L135-M137 PolarHBondContact O-N 3.29Å; M137-L140 PolarHBondContact O-N 2.82Å; M137-R141 PolarHBondContact O-N 3.33Å; M137-W149 HydrophobicContact CB-CZ3 4.28Å; M137-W149 WeakPolarHBondContact O-CZ3 3.41Å; M137-I186 HydrophobicContact CE-CG2 4.01Å; M137-L187 HydrophobicContact CB-CD1 3.94Å; M137-L187 HydrophobicContact CG-CD1 3.85Å; M137-L187 HydrophobicContact SD-CD1 4.06Å; M137-T190 WeakPolarHBondContact CG-OG1 3.37Å; M137-T191 HydrophobicContact CB-CG2 3.96Å; M137-T191 HydrophobicContact CG-CG2 4.1Å
138	Y	83.7	Confident	82.2	Confident	42 Å²	42	52.3 Å²	52.3	17%	0.165	28%	0.275	C	S	.	.	H	α-helix	trans	-72.1	-33	178.4	-68.4	-59.4	0	0	0	113.1	Q85 L89 L93 P134 L135 R141 A142	Q85-Y138 HydrophobicContact CB-CD1 4.38Å; Q85-Y138 HydrophobicContact CB-CE1 4.39Å; Q85-Y138 HydrophobicContact CG-CE1 4.33Å; L89-Y138 HydrophobicContact CD2-CD1 3.74Å; L89-Y138 HydrophobicContact CD2-CD2 3.69Å; L89-Y138 HydrophobicContact CD2-CE1 3.43Å; L89-Y138 VanDerWaalsContact CD2-CE1 3.43Å; L89-Y138 HydrophobicContact CD2-CE2 3.32Å; L89-Y138 HydrophobicContact CD2-CG 3.88Å; L89-Y138 HydrophobicContact CG-CD2 4.09Å; L89-Y138 HydrophobicContact CG-CE2 4.1Å; L89-Y138 HydrophobicContact CG-CG 4.33Å; L93-Y138 HydrophobicContact CD1-CD2 3.57Å; L93-Y138 HydrophobicContact CD1-CE2 4.27Å; L93-Y138 HydrophobicContact CD1-CG 4.39Å; P134-Y138 HydrophobicContact CB-CD2 3.76Å; P134-Y138 HydrophobicContact CB-CE2 3.56Å; P134-Y138 HydrophobicContact CG-CE2 4.49Å; P134-Y138 VanDerWaalsContact O-CD2 3.29Å; P134-Y138 WeakPolarHBondContact O-CD2 3.2Å; P134-Y138 PolarHBondContact O-N 3.28Å; P134-Y138 VanDerWaalsContact O-N 3.13Å; L135-Y138 PolarHBondContact O-N 2.91Å; Y138-R141 PolarHBondContact O-N 2.89Å; Y138-A142 WeakPolarHBondContact O-CB 3.43Å; Y138-A142 PolarHBondContact O-N 3.34Å
139	L	87.4	Confident	80.8	Confident	50 Å²	50	51.1 Å²	51.1	26%	0.262	27%	0.268	S	S	.	.	H	α-helix	trans	-64.1	-46.3	171.9	-77	177.3	0	0	0	111.5	P90 I94 L135 R141 A142 F143	P90-L139 HydrophobicContact CB-CD2 4.22Å; I94-L139 HydrophobicContact CD1-CD2 4.43Å; L135-L139 HydrophobicContact CD1-CD1 3.88Å; L135-L139 HydrophobicContact CD1-CD2 4.31Å; L135-L139 HydrophobicContact CD1-CG 3.75Å; L135-L139 HydrophobicContact CD2-CD1 4.08Å; L135-L139 HydrophobicContact CG-CD1 3.7Å; L135-L139 HydrophobicContact CG-CG 4.01Å; L135-L139 WeakPolarHBondContact O-CB 3.49Å; L135-L139 WeakPolarHBondContact O-CG 3.38Å; L135-L139 PolarHBondContact O-N 3.48Å; L139-R141 VanDerWaalsContact C-N 3.31Å; L139-R141 PolarHBondContact O-N 3.24Å; L139-A142 WeakPolarHBondContact O-CB 3.39Å; L139-A142 PolarHBondContact O-N 2.97Å; L139-F143 HydrophobicContact CB-CD2 4.44Å; L139-F143 HydrophobicContact CB-CE2 4.29Å; L139-F143 HydrophobicContact CD2-CE2 4.31Å; L139-F143 WeakPolarHBondContact O-CD2 3.25Å; L139-F143 PolarHBondContact O-N 3.25Å
140	L	83.1	Confident	79.1	Confident	65 Å²	65	50.2 Å²	50.2	34%	0.34	26%	0.259	S	S	.	.	H	α-helix	trans	-57.1	-46.3	175.1	-76.3	172.5	0	0	0	111.1	P136 M137 A142 F143 Y144 V148	P136-L140 WeakPolarHBondContact O-CB 3.26Å; P136-L140 VanDerWaalsContact O-CG 3.23Å; P136-L140 WeakPolarHBondContact O-CG 3.4Å; P136-L140 PolarHBondContact O-N 3.42Å; M137-L140 PolarHBondContact O-N 2.82Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 3.01Å; L140-F143 PolarHBondContact O-N 3.3Å; L140-Y144 HydrophobicContact CD2-CD2 4.2Å; L140-Y144 HydrophobicContact CD2-CE2 3.76Å; L140-Y144 VanDerWaalsContact O-CD2 3.32Å; L140-Y144 WeakPolarHBondContact O-CD2 3.41Å; L140-Y144 PolarHBondContact O-N 3.05Å; L140-V148 HydrophobicContact CB-CB 4.48Å; L140-V148 HydrophobicContact CB-CG2 3.92Å; L140-V148 WeakPolarHBondContact O-CG2 3.37Å
141	R	78.3	Confident	77.8	Confident	18 Å²	18	52.1 Å²	52.1	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-35.4	174.5	-177.9	167.4	174.4	163.9	-0.5	112.8	D81 Q85 T86 M137 Y138 L139 G145 P147 W149	D81-R141 IonicContact OD2-CZ 3.77Å; D81-R141 IonicContact OD2-NH1 3.79Å; D81-R141 IonicContact OD2-NH2 3.04Å; D81-R141 PolarHBondContact OD2-NH2 3.25Å; Q85-R141 VanDerWaalsContact CD-NH1 3.26Å; T86-R141 HydrophobicContact CG2-CG 4Å; M137-R141 PolarHBondContact O-N 3.33Å; Y138-R141 PolarHBondContact O-N 2.89Å; L139-R141 VanDerWaalsContact C-N 3.31Å; L139-R141 PolarHBondContact O-N 3.24Å; R141-G145 PolarHBondContact O-N 2.82Å; R141-P147 HydrophobicContact CG-CB 4.46Å; R141-W149 HydrophobicContact CB-CH2 3.74Å; R141-W149 HydrophobicContact CB-CZ3 4.11Å; R141-W149 HydrophobicContact CG-CH2 4.25Å
142	A	82	Confident	76.2	Confident	38 Å²	38	55.5 Å²	55.5	31%	0.314	28%	0.281	S	S	.	.	H	α-helix	trans	-68.3	-41	176.6	0	0	0	0	0	112.8	T86 P90 Y138 L139 L140	T86-A142 VanDerWaalsContact O-CB 3.26Å; T86-A142 WeakPolarHBondContact O-CB 3.31Å; P90-A142 HydrophobicContact CG-CB 4.21Å; Y138-A142 WeakPolarHBondContact O-CB 3.43Å; Y138-A142 PolarHBondContact O-N 3.34Å; L139-A142 WeakPolarHBondContact O-CB 3.39Å; L139-A142 PolarHBondContact O-N 2.97Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 3.01Å
143	F	84	Confident	74.3	Confident	164 Å²	164	58.6 Å²	58.6	72%	0.719	29%	0.29	S	S	*	.	H	α-helix	trans	-76.1	-42.7	-179	-73.9	-63.3	0	0	0	113.5	L139 L140	L139-F143 HydrophobicContact CB-CD2 4.44Å; L139-F143 HydrophobicContact CB-CE2 4.29Å; L139-F143 HydrophobicContact CD2-CE2 4.31Å; L139-F143 WeakPolarHBondContact O-CD2 3.25Å; L139-F143 PolarHBondContact O-N 3.25Å; L140-F143 PolarHBondContact O-N 3.3Å
144	Y	76.6	Confident	72.7	Confident	166 Å²	166	61.8 Å²	61.8	65%	0.651	30%	0.302	S	S	*	.	H	α-helix	trans	-85.7	-13.3	-175.9	-72	-78.4	0	0	0	113.2	L140 D146 V148	L140-Y144 HydrophobicContact CD2-CD2 4.2Å; L140-Y144 HydrophobicContact CD2-CE2 3.76Å; L140-Y144 VanDerWaalsContact O-CD2 3.32Å; L140-Y144 WeakPolarHBondContact O-CD2 3.41Å; L140-Y144 PolarHBondContact O-N 3.05Å; Y144-D146 PolarHBondContact O-N 3.38Å; Y144-V148 HydrophobicContact CD2-CG2 3.71Å; Y144-V148 HydrophobicContact CG-CG2 3.99Å
145	G	64.8	Low	71.3	Confident	26 Å²	26	62.3 Å²	62.3	27%	0.268	30%	0.303	S	S	.	.	S	Bend	trans	71.6	-30.5	174.1	0	0	0	0	0	115	K82 R141	K82-G145 WeakPolarHBondContact CE-O 3.35Å; K82-G145 PolarHBondContact NZ-O 2.69Å; R141-G145 PolarHBondContact O-N 2.82Å
146	D	62	Low	69.6	Low	87 Å²	87	65.9 Å²	65.9	47%	0.465	33%	0.326	S	S	.	.	S	Bend	trans	-91.5	147.4	164.6	-68.8	-28.9	0	0	0	109	Y144 V148	Y144-D146 PolarHBondContact O-N 3.38Å; D146-V148 PolarHBondContact O-N 2.77Å
147	P	61.7	Low	67.8	Low	14 Å²	14	70.4 Å²	70.4	9%	0.091	35%	0.346	C	S	.	.			trans	-70.2	110.3	179	33.6	-35.7	0	0	0	106.7	R141 W149 W150 Y152	R141-P147 HydrophobicContact CG-CB 4.46Å; P147-W149 HydrophobicContact CB-CZ2 4.35Å; P147-W149 PolarHBondContact O-N 3Å; P147-W150 HydrophobicContact CB-CG 4.18Å; P147-W150 HydrophobicContact CG-CB 3.95Å; P147-W150 HydrophobicContact CG-CG 3.68Å; P147-W150 PolarHBondContact O-N 3.45Å; P147-Y152 HydrophobicContact CG-CD2 3.68Å; P147-Y152 HydrophobicContact CG-CE2 3.44Å; P147-Y152 VanDerWaalsContact CG-CE2 3.44Å
148	V	57.8	Low	66.5	Low	67 Å²	67	73.7 Å²	73.7	41%	0.406	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-20.2	-166.7	175.4	0	0	0	0	114.4	L140 Y144 D146	L140-V148 HydrophobicContact CB-CB 4.48Å; L140-V148 HydrophobicContact CB-CG2 3.92Å; L140-V148 WeakPolarHBondContact O-CG2 3.37Å; Y144-V148 HydrophobicContact CD2-CG2 3.71Å; Y144-V148 HydrophobicContact CG-CG2 3.99Å; D146-V148 PolarHBondContact O-N 2.77Å
149	W	63.4	Low	65.1	Low	21 Å²	21	78.1 Å²	78.1	8%	0.08	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.2	178.9	44.3	99.9	0	0	0	114.8	M137 R141 P147 S178 I183 L187	M137-W149 HydrophobicContact CB-CZ3 4.28Å; M137-W149 WeakPolarHBondContact O-CZ3 3.41Å; R141-W149 HydrophobicContact CB-CH2 3.74Å; R141-W149 HydrophobicContact CB-CZ3 4.11Å; R141-W149 HydrophobicContact CG-CH2 4.25Å; P147-W149 HydrophobicContact CB-CZ2 4.35Å; P147-W149 PolarHBondContact O-N 3Å; W149-S178 WeakPolarHBondContact O-CA 3.39Å; W149-S178 WeakPolarHBondContact O-CB 3.28Å; W149-S178 PolarHBondContact O-OG 3.35Å; W149-I183 HydrophobicContact CB-CG2 4.31Å; W149-L187 HydrophobicContact CB-CD2 4.13Å; W149-L187 HydrophobicContact CD2-CD1 4.08Å; W149-L187 HydrophobicContact CD2-CD2 3.64Å; W149-L187 HydrophobicContact CE3-CD1 4.04Å; W149-L187 HydrophobicContact CE3-CD2 4.36Å; W149-L187 HydrophobicContact CG-CD2 3.49Å; W149-L187 VanDerWaalsContact CG-CD2 3.49Å; W149-L187 HydrophobicContact CH2-CD1 4.15Å; W149-L187 HydrophobicContact CZ2-CD1 4.19Å; W149-L187 HydrophobicContact CZ2-CD2 4.45Å; W149-L187 HydrophobicContact CZ3-CD1 4.07Å
150	W	59.8	Low	63.7	Low	17 Å²	17	79.3 Å²	79.3	6%	0.064	39%	0.39	C	S	.	.			trans	-118.7	138.3	-179.9	-44.4	70.3	0	0	0	111.3	P70 I73 P147 Y152 Q176	P70-W150 HydrophobicContact CB-CH2 4.24Å; P70-W150 HydrophobicContact CB-CZ2 4.28Å; P70-W150 VanDerWaalsContact CD-CH2 3.41Å; P70-W150 VanDerWaalsContact CD-CZ3 3.41Å; P70-W150 HydrophobicContact CG-CD2 4.33Å; P70-W150 HydrophobicContact CG-CE3 4.28Å; P70-W150 HydrophobicContact CG-CH2 3.02Å; P70-W150 HydrophobicContact CG-CZ2 2.97Å; P70-W150 HydrophobicContact CG-CZ3 3.63Å; I73-W150 HydrophobicContact CD1-CZ2 4.5Å; P147-W150 HydrophobicContact CB-CG 4.18Å; P147-W150 HydrophobicContact CG-CB 3.95Å; P147-W150 HydrophobicContact CG-CG 3.68Å; P147-W150 PolarHBondContact O-N 3.45Å; W150-Y152 HydrophobicContact CB-CD2 3.43Å; W150-Y152 VanDerWaalsContact CB-CD2 3.43Å; W150-Y152 HydrophobicContact CB-CE2 3.42Å; W150-Y152 VanDerWaalsContact CB-CE2 3.42Å; W150-Y152 AromaticContact CD2-CE2 3.59Å; W150-Y152 HydrophobicContact CD2-CE2 3.59Å; W150-Y152 AromaticContact CE3-CE2 3.94Å; W150-Y152 HydrophobicContact CE3-CE2 3.94Å; W150-Y152 HydrophobicContact CG-CD2 4.02Å; W150-Y152 AromaticContact CG-CE2 3.47Å; W150-Y152 HydrophobicContact CG-CE2 3.47Å; W150-Y152 VanDerWaalsContact CG-CE2 3.47Å; W150-Y152 PolarHBondContact O-N 2.9Å; W150-Q176 WeakPolarHBondContact CZ3-O 3.24Å
151	E	62.1	Low	62.5	Low	57 Å²	57	80.1 Å²	80.1	27%	0.266	40%	0.398	S	S	.	.			trans	-98.9	67.7	175.6	-64.8	177.6	-177.4	0	0	108.8	K153 K154 S179	E151-K153 PolarHBondContact O-N 3.01Å; E151-K154 HydrophobicContact CB-CB 4.06Å; E151-K154 PolarHBondContact O-N 3.2Å; E151-K154 IonicContact OE1-NZ 2.89Å; E151-K154 WeakPolarHBondContact OE2-CD 3.39Å; E151-K154 IonicContact OE2-NZ 3.76Å; E151-K154 PolarHBondContact OE2-NZ 3.04Å; E151-S179 VanDerWaalsContact CD-OG 3.27Å; E151-S179 WeakPolarHBondContact OE1-CB 3.38Å; E151-S179 PolarHBondContact OE1-OG 3.42Å
152	Y	56.3	Low	61.6	Low	71 Å²	71	84.1 Å²	84.1	28%	0.278	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-8.3	-174.1	-92.1	-83.9	0	0	0	115	P147 W150 Q176	P147-Y152 HydrophobicContact CG-CD2 3.68Å; P147-Y152 HydrophobicContact CG-CE2 3.44Å; P147-Y152 VanDerWaalsContact CG-CE2 3.44Å; W150-Y152 HydrophobicContact CB-CD2 3.43Å; W150-Y152 VanDerWaalsContact CB-CD2 3.43Å; W150-Y152 HydrophobicContact CB-CE2 3.42Å; W150-Y152 VanDerWaalsContact CB-CE2 3.42Å; W150-Y152 AromaticContact CD2-CE2 3.59Å; W150-Y152 HydrophobicContact CD2-CE2 3.59Å; W150-Y152 AromaticContact CE3-CE2 3.94Å; W150-Y152 HydrophobicContact CE3-CE2 3.94Å; W150-Y152 HydrophobicContact CG-CD2 4.02Å; W150-Y152 AromaticContact CG-CE2 3.47Å; W150-Y152 HydrophobicContact CG-CE2 3.47Å; W150-Y152 VanDerWaalsContact CG-CE2 3.47Å; W150-Y152 PolarHBondContact O-N 2.9Å; Y152-Q176 HydrophobicContact CE1-CB 4.36Å; Y152-Q176 HydrophobicContact CE1-CG 4.41Å
153	K	53.8	Low	60.9	Low	160 Å²	160	85.8 Å²	85.8	70%	0.696	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	3.4	-175.2	-69.6	-175.1	178.7	175.7	0	115.5	E151 Y155 T156	E151-K153 PolarHBondContact O-N 3.01Å; K153-Y155 VanDerWaalsContact C-N 3.31Å; K153-Y155 PolarHBondContact O-N 2.75Å; K153-T156 PolarHBondContact O-OG1 3.25Å
154	K	58.7	Low	60.2	Low	112 Å²	112	79.3 Å²	79.3	49%	0.487	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-28	-177.5	-164.7	174.1	-178.1	179	0	112.5	E151	E151-K154 HydrophobicContact CB-CB 4.06Å; E151-K154 PolarHBondContact O-N 3.2Å; E151-K154 IonicContact OE1-NZ 2.89Å; E151-K154 WeakPolarHBondContact OE2-CD 3.39Å; E151-K154 IonicContact OE2-NZ 3.76Å; E151-K154 PolarHBondContact OE2-NZ 3.04Å
155	Y	59.6	Low	60.1	Low	19 Å²	19	78.7 Å²	78.7	8%	0.075	40%	0.396	C	S	.	.	S	Bend	trans	-101	-5.7	-169.5	-52.9	-60.8	0	0	0	114.7	K153 L157 Y158 L172 Y175 P289	K153-Y155 VanDerWaalsContact C-N 3.31Å; K153-Y155 PolarHBondContact O-N 2.75Å; Y155-L157 PolarHBondContact O-N 2.95Å; Y155-Y158 HydrophobicContact CD1-CD2 4.05Å; Y155-Y158 AromaticContact CD1-CE2 3.75Å; Y155-Y158 HydrophobicContact CD1-CE2 3.75Å; Y155-Y158 HydrophobicContact CE1-CE2 4.42Å; Y155-Y158 PolarHBondContact O-N 3.44Å; Y155-L172 WeakPolarHBondContact O-CD1 3.44Å; Y155-Y175 WeakPolarHBondContact CD2-O 3.42Å; Y155-Y175 WeakPolarHBondContact CE2-O 3.39Å; Y155-P289 HydrophobicContact CD1-CB 3.51Å; Y155-P289 HydrophobicContact CD1-CG 4.07Å; Y155-P289 HydrophobicContact CE1-CB 3.17Å; Y155-P289 HydrophobicContact CE1-CG 4.21Å; Y155-P289 HydrophobicContact CG-CB 4.43Å
156	T	54.3	Low	60.5	Low	97 Å²	97	81.2 Å²	81.2	60%	0.595	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.5	172	50.2	0	0	0	0	112.8	K153 L172	K153-T156 PolarHBondContact O-OG1 3.25Å; T156-L172 HydrophobicContact CG2-CD2 4.1Å
157	L	51	Low	61.2	Low	158 Å²	158	78.4 Å²	78.4	83%	0.827	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-18.4	179.9	-162.5	69.1	0	0	0	113.4	Y155 N159	Y155-L157 PolarHBondContact O-N 2.95Å; L157-N159 PolarHBondContact O-N 3.07Å
158	Y	57	Low	62	Low	98 Å²	98	80 Å²	80	38%	0.384	39%	0.386	S	S	.	.	S	Bend	trans	-80.9	107.2	177.6	-63.6	-84.8	0	0	0	108.7	Y155 L160	Y155-Y158 HydrophobicContact CD1-CD2 4.05Å; Y155-Y158 AromaticContact CD1-CE2 3.75Å; Y155-Y158 HydrophobicContact CD1-CE2 3.75Å; Y155-Y158 HydrophobicContact CE1-CE2 4.42Å; Y155-Y158 PolarHBondContact O-N 3.44Å; Y158-L160 VanDerWaalsContact C-N 3.32Å; Y158-L160 PolarHBondContact O-N 3.36Å
159	N	53.4	Low	62.9	Low	135 Å²	135	79.3 Å²	79.3	72%	0.722	38%	0.376	S	S	*	.			trans	-62.5	100	166.6	-159.2	-2.3	0	0	0	106.7	L157 T161	L157-N159 PolarHBondContact O-N 3.07Å; N159-T161 HydrophobicContact CB-CG2 4.42Å; N159-T161 PolarHBondContact O-N 3.05Å; N159-T161 PolarHBondContact O-OG1 3.43Å
160	L	58.1	Low	63.4	Low	75 Å²	75	78.3 Å²	78.3	39%	0.393	37%	0.373	S	S	.	.			trans	-65.5	56.2	-174.9	-79.9	121.9	0	0	0	111.6	Y158 Y169 A170 L172	Y158-L160 VanDerWaalsContact C-N 3.32Å; Y158-L160 PolarHBondContact O-N 3.36Å; L160-Y169 HydrophobicContact CD2-CG 4.44Å; L160-A170 WeakPolarHBondContact CD2-O 3.38Å; L160-L172 HydrophobicContact CD1-CB 4.12Å; L160-L172 HydrophobicContact CD1-CD1 4.5Å
161	T	57.7	Low	63.9	Low	82 Å²	82	79.6 Å²	79.6	50%	0.503	38%	0.383	S	S	.	.			trans	-82.3	151	177.7	53.1	0	0	0	0	109.2	N159 I163 Y169	N159-T161 HydrophobicContact CB-CG2 4.42Å; N159-T161 PolarHBondContact O-N 3.05Å; N159-T161 PolarHBondContact O-OG1 3.43Å; T161-I163 PolarHBondContact O-N 3.41Å; T161-I163 VanDerWaalsContact O-N 3.07Å; T161-Y169 WeakPolarHBondContact O-CD2 3.36Å
162	Q	60.3	Low	64.2	Low	103 Å²	103	80 Å²	80	48%	0.481	39%	0.387	S	S	.	.			trans	-61.7	110.3	177.9	175.2	167	0.8	0	0	110	S164 K168	Q162-S164 WeakPolarHBondContact CG-O 3.5Å; Q162-S164 PolarHBondContact NE2-O 3.03Å; Q162-K168 HydrophobicContact CB-CD 4.5Å; Q162-K168 HydrophobicContact CB-CG 4.21Å; Q162-K168 VanDerWaalsContact CD-CE 3.44Å; Q162-K168 HydrophobicContact CG-CD 4.41Å; Q162-K168 HydrophobicContact CG-CG 3.93Å
163	I	66.7	Low	64.6	Low	72 Å²	72	81.5 Å²	81.5	37%	0.369	40%	0.396	S	S	.	.			trans	-70.8	-36.3	-179.9	-51.1	-174.1	0	0	0	110.9	T161 W167 Y169	T161-I163 PolarHBondContact O-N 3.41Å; T161-I163 VanDerWaalsContact O-N 3.07Å; I163-W167 HydrophobicContact CB-CE3 4.17Å; I163-W167 HydrophobicContact CB-CH2 3.66Å; I163-W167 HydrophobicContact CB-CZ2 3.97Å; I163-W167 HydrophobicContact CB-CZ3 3.78Å; I163-W167 HydrophobicContact CD1-CE3 4.21Å; I163-W167 HydrophobicContact CD1-CH2 3.46Å; I163-W167 VanDerWaalsContact CD1-CH2 3.46Å; I163-W167 HydrophobicContact CD1-CZ3 3.24Å; I163-W167 HydrophobicContact CG1-CH2 4.11Å; I163-W167 HydrophobicContact CG1-CZ3 3.93Å; I163-W167 HydrophobicContact CG2-CH2 3.39Å; I163-W167 HydrophobicContact CG2-CZ2 3.52Å; I163-W167 HydrophobicContact CG2-CZ3 4.06Å; I163-Y169 HydrophobicContact CD1-CD1 4.19Å; I163-Y169 HydrophobicContact CD1-CD2 3.57Å; I163-Y169 HydrophobicContact CD1-CE1 3.73Å; I163-Y169 HydrophobicContact CD1-CE2 3.02Å; I163-Y169 HydrophobicContact CD1-CG 4.13Å; I163-Y169 WeakPolarHBondContact CD1-OH 3.47Å; I163-Y169 HydrophobicContact CG1-CD2 3.67Å; I163-Y169 HydrophobicContact CG1-CE2 3.29Å
164	S	69.9	Low	65.3	Low	29 Å²	29	74.8 Å²	74.8	20%	0.203	37%	0.368	C	S	.	.			trans	-148.8	168.5	176.3	83	0	0	0	0	112.8	Q162 W166 W167	Q162-S164 WeakPolarHBondContact CG-O 3.5Å; Q162-S164 PolarHBondContact NE2-O 3.03Å; S164-W166 PolarHBondContact O-N 3.23Å; S164-W166 PolarHBondContact OG-N 3.42Å; S164-W166 VanDerWaalsContact OG-N 3.1Å; S164-W167 PolarHBondContact N-O 2.94Å; S164-W167 VanDerWaalsContact O-O 3.06Å; S164-W167 PolarHBondContact OG-N 2.93Å; S164-W167 PolarHBondContact OG-NE1 3.35Å; S164-W167 PolarHBondContact OG-O 3.02Å
165	K	72.7	Confident	65.7	Low	153 Å²	153	69.7 Å²	69.7	67%	0.665	35%	0.346	S	S	*	.	S	Bend	trans	-58.8	-25.1	171.6	-169.8	172.5	-179.8	176.3	0	112.7	Y10	Y10-K165 PolarHBondContact OH-O 3.42Å
166	W	74.5	Confident	65.8	Low	79 Å²	79	70 Å²	70	30%	0.299	35%	0.348	S	S	.	.	S	Bend	trans	-106	-19.8	-167.4	-54.2	103.5	0	0	0	114	S164 H264 N266 V267 F276	S164-W166 PolarHBondContact O-N 3.23Å; S164-W166 PolarHBondContact OG-N 3.42Å; S164-W166 VanDerWaalsContact OG-N 3.1Å; W166-H264 VanDerWaalsContact O-CB 3.25Å; W166-H264 WeakPolarHBondContact O-CB 3.25Å; W166-H264 PolarHBondContact O-N 3.47Å; W166-N266 HydrophobicContact CZ3-CB 4.06Å; W166-V267 HydrophobicContact CB-CG2 4.07Å; W166-V267 HydrophobicContact CD2-CG2 4.44Å; W166-V267 HydrophobicContact CE3-CG2 3.82Å; W166-F276 AromaticContact CD1-CE1 3.44Å; W166-F276 VanDerWaalsContact CD1-CE1 3.44Å; W166-F276 AromaticContact CD1-CZ 3.32Å; W166-F276 HydrophobicContact CD2-CE2 4.37Å; W166-F276 HydrophobicContact CD2-CZ 4.24Å; W166-F276 AromaticContact CE2-CE2 3.97Å; W166-F276 AromaticContact CE2-CZ 3.62Å; W166-F276 HydrophobicContact CG-CE1 4.32Å; W166-F276 HydrophobicContact CG-CE2 4.44Å; W166-F276 HydrophobicContact CG-CZ 4.07Å; W166-F276 HydrophobicContact CZ2-CE2 4.4Å; W166-F276 HydrophobicContact CZ2-CZ 4.26Å; W166-F276 AromaticContact NE1-CE1 3.6Å; W166-F276 AromaticContact NE1-CE2 3.83Å; W166-F276 AromaticContact NE1-CZ 3.03Å
167	W	77.1	Confident	66.3	Low	28 Å²	28	65.5 Å²	65.5	11%	0.106	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.2	179.5	61.3	-89.9	0	0	0	112.2	I163 S164 L262 L263 L281 A284 L288	I163-W167 HydrophobicContact CB-CE3 4.17Å; I163-W167 HydrophobicContact CB-CH2 3.66Å; I163-W167 HydrophobicContact CB-CZ2 3.97Å; I163-W167 HydrophobicContact CB-CZ3 3.78Å; I163-W167 HydrophobicContact CD1-CE3 4.21Å; I163-W167 HydrophobicContact CD1-CH2 3.46Å; I163-W167 VanDerWaalsContact CD1-CH2 3.46Å; I163-W167 HydrophobicContact CD1-CZ3 3.24Å; I163-W167 HydrophobicContact CG1-CH2 4.11Å; I163-W167 HydrophobicContact CG1-CZ3 3.93Å; I163-W167 HydrophobicContact CG2-CH2 3.39Å; I163-W167 HydrophobicContact CG2-CZ2 3.52Å; I163-W167 HydrophobicContact CG2-CZ3 4.06Å; S164-W167 PolarHBondContact N-O 2.94Å; S164-W167 VanDerWaalsContact O-O 3.06Å; S164-W167 PolarHBondContact OG-N 2.93Å; S164-W167 PolarHBondContact OG-NE1 3.35Å; S164-W167 PolarHBondContact OG-O 3.02Å; W167-L262 CarbonylContact C-O 3.54Å; W167-L262 WeakPolarHBondContact CA-O 3.44Å; W167-L262 WeakPolarHBondContact CB-O 3.32Å; W167-L263 HydrophobicContact CB-CD2 4.2Å; W167-L281 HydrophobicContact CD2-CD1 4.17Å; W167-L281 HydrophobicContact CG-CD1 4.38Å; W167-L281 HydrophobicContact CZ2-CD1 4.26Å; W167-A284 HydrophobicContact CH2-CB 3.65Å; W167-A284 HydrophobicContact CZ2-CB 3.93Å; W167-L288 HydrophobicContact CZ3-CD1 4.4Å
168	K	77.2	Confident	67.2	Low	48 Å²	48	58.1 Å²	58.1	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.5	-179.5	-66.3	179	177.7	177	0	109.9	D7 Y10 Q162 L262	D7-K168 IonicContact OD1-NZ 3.82Å; Y10-K168 HydrophobicContact CE1-CD 4.1Å; Y10-K168 HydrophobicContact CE1-CG 4.04Å; Y10-K168 HydrophobicContact CE2-CD 4.11Å; Y10-K168 WeakPolarHBondContact OH-CE 3.45Å; Q162-K168 HydrophobicContact CB-CD 4.5Å; Q162-K168 HydrophobicContact CB-CG 4.21Å; Q162-K168 VanDerWaalsContact CD-CE 3.44Å; Q162-K168 HydrophobicContact CG-CD 4.41Å; Q162-K168 HydrophobicContact CG-CG 3.93Å; K168-L262 HydrophobicContact CB-CB 4.26Å; K168-L262 PolarHBondContact N-O 2.89Å; K168-L262 PolarHBondContact O-N 3.05Å
169	Y	76.9	Confident	67.8	Low	51 Å²	51	55 Å²	55	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	143.1	167.6	-72.1	-79.5	0	0	0	110.6	L160 T161 I163 L288	L160-Y169 HydrophobicContact CD2-CG 4.44Å; T161-Y169 WeakPolarHBondContact O-CD2 3.36Å; I163-Y169 HydrophobicContact CD1-CD1 4.19Å; I163-Y169 HydrophobicContact CD1-CD2 3.57Å; I163-Y169 HydrophobicContact CD1-CE1 3.73Å; I163-Y169 HydrophobicContact CD1-CE2 3.02Å; I163-Y169 HydrophobicContact CD1-CG 4.13Å; I163-Y169 WeakPolarHBondContact CD1-OH 3.47Å; I163-Y169 HydrophobicContact CG1-CD2 3.67Å; I163-Y169 HydrophobicContact CG1-CE2 3.29Å; Y169-L288 HydrophobicContact CD1-CD2 3.51Å; Y169-L288 HydrophobicContact CE1-CD2 3.34Å
170	A	75.1	Confident	69.1	Low	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-64.2	155.5	168	0	0	0	0	0	111.4	L12 L160 I174 Y175 P260	L12-A170 HydrophobicContact CD1-CB 4.04Å; L160-A170 WeakPolarHBondContact CD2-O 3.38Å; A170-I174 HydrophobicContact CB-CD1 4.2Å; A170-Y175 HydrophobicContact CB-CE2 4.2Å; A170-Y175 PolarHBondContact N-OH 3.07Å; A170-Y175 VanDerWaalsContact O-CE2 3.25Å; A170-Y175 WeakPolarHBondContact O-CE2 3.41Å; A170-P260 HydrophobicContact CB-CB 3.71Å; A170-P260 HydrophobicContact CB-CG 4.05Å
171	P	70.5	Confident	70.3	Confident	45 Å²	45	49.1 Å²	49.1	29%	0.292	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-57.3	146.4	176.9	-27.3	37.3	0	0	0	112.7	M1 E173 I174	M1-P171 HydrophobicContact CE-CB 3.62Å; M1-P171 HydrophobicContact CE-CG 3.54Å; P171-E173 PolarHBondContact O-N 3Å; P171-E173 VanDerWaalsContact O-N 3.09Å; P171-I174 PolarHBondContact O-N 3.13Å
172	L	68	Low	71.6	Confident	64 Å²	64	51 Å²	51	34%	0.335	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-53.9	-34.8	-174.9	-174.8	65.2	0	0	0	113.2	Y155 T156 L160 I174 Y175	Y155-L172 WeakPolarHBondContact O-CD1 3.44Å; T156-L172 HydrophobicContact CG2-CD2 4.1Å; L160-L172 HydrophobicContact CD1-CB 4.12Å; L160-L172 HydrophobicContact CD1-CD1 4.5Å; L172-I174 PolarHBondContact O-N 3.21Å; L172-I174 VanDerWaalsContact O-N 3.17Å; L172-Y175 PolarHBondContact O-N 2.88Å
173	E	64.8	Low	72.6	Confident	103 Å²	103	49.8 Å²	49.8	48%	0.481	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-51	-36.3	176.5	-67	173.5	-164.5	0	0	112.9	L72 P171 Y175 Q176	L72-E173 WeakPolarHBondContact CD1-O 3.5Å; L72-E173 HydrophobicContact CD2-CB 4.19Å; P171-E173 PolarHBondContact O-N 3Å; P171-E173 VanDerWaalsContact O-N 3.09Å; E173-Y175 VanDerWaalsContact C-N 3.3Å; E173-Y175 PolarHBondContact O-N 3.2Å; E173-Q176 PolarHBondContact O-N 3.32Å
174	I	67.8	Low	73.3	Confident	19 Å²	19	46.3 Å²	46.3	10%	0.097	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-72.2	-25.9	-177.5	-60.8	-176.4	0	0	0	111.8	M1 L12 A170 P171 L172 Q176 P260 V291	M1-I174 HydrophobicContact CE-CD1 3.78Å; M1-I174 HydrophobicContact CE-CG1 3.82Å; M1-I174 HydrophobicContact SD-CD1 4.46Å; L12-I174 HydrophobicContact CD1-CD1 3.91Å; L12-I174 HydrophobicContact CD2-CD1 3.79Å; A170-I174 HydrophobicContact CB-CD1 4.2Å; P171-I174 PolarHBondContact O-N 3.13Å; L172-I174 PolarHBondContact O-N 3.21Å; L172-I174 VanDerWaalsContact O-N 3.17Å; I174-Q176 VanDerWaalsContact C-N 3.3Å; I174-Q176 PolarHBondContact O-N 3.47Å; I174-P260 HydrophobicContact CG2-CB 3.78Å; I174-P260 HydrophobicContact CG2-CG 3.81Å; I174-V291 HydrophobicContact CG2-CG2 4.48Å; I174-V291 WeakPolarHBondContact O-CG2 3.43Å
175	Y	68	Low	74.1	Confident	6 Å²	6	45.5 Å²	45.5	2%	0.024	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-86.1	2.3	-178.8	-57.9	-72.4	0	0	0	114.1	Y155 A170 L172 E173 T177 P260 P289 V291	Y155-Y175 WeakPolarHBondContact CD2-O 3.42Å; Y155-Y175 WeakPolarHBondContact CE2-O 3.39Å; A170-Y175 HydrophobicContact CB-CE2 4.2Å; A170-Y175 PolarHBondContact N-OH 3.07Å; A170-Y175 VanDerWaalsContact O-CE2 3.25Å; A170-Y175 WeakPolarHBondContact O-CE2 3.41Å; L172-Y175 PolarHBondContact O-N 2.88Å; E173-Y175 VanDerWaalsContact C-N 3.3Å; E173-Y175 PolarHBondContact O-N 3.2Å; Y175-T177 PolarHBondContact O-N 2.94Å; Y175-P260 HydrophobicContact CD1-CG 3.83Å; Y175-P260 HydrophobicContact CE1-CG 3.19Å; Y175-P260 PolarHBondContact OH-O 3.27Å; Y175-P260 VanDerWaalsContact OH-O 3.11Å; Y175-P289 HydrophobicContact CD1-CB 3.9Å; Y175-P289 HydrophobicContact CD1-CG 3.78Å; Y175-P289 HydrophobicContact CE1-CB 3.96Å; Y175-P289 HydrophobicContact CE1-CG 3.43Å; Y175-P289 VanDerWaalsContact CE1-CG 3.43Å; Y175-P289 WeakPolarHBondContact CE1-O 3.29Å; Y175-P289 HydrophobicContact CE2-CG 4.43Å; Y175-P289 HydrophobicContact CG-CG 4.41Å; Y175-V291 HydrophobicContact CD1-CG2 3.79Å; Y175-V291 HydrophobicContact CE1-CG2 4.41Å
176	Q	61.6	Low	74.8	Confident	26 Å²	26	42.3 Å²	42.3	12%	0.121	21%	0.214	C	C	.	.			trans	-73	61.5	171.3	-61.7	-177.8	-19.8	0	0	109.6	D75 W150 Y152 E173 I174	D75-Q176 PolarHBondContact OD2-NE2 2.92Å; W150-Q176 WeakPolarHBondContact CZ3-O 3.24Å; Y152-Q176 HydrophobicContact CE1-CB 4.36Å; Y152-Q176 HydrophobicContact CE1-CG 4.41Å; E173-Q176 PolarHBondContact O-N 3.32Å; I174-Q176 VanDerWaalsContact C-N 3.3Å; I174-Q176 PolarHBondContact O-N 3.47Å
177	T	64.1	Low	75.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.006	20%	0.202	C	C	.	.	S	Bend	trans	-138.9	175.1	177.4	62	0	0	0	0	111.1	Y69 Y175 V291	Y69-T177 VanDerWaalsContact O-CB 3.3Å; Y69-T177 WeakPolarHBondContact O-CB 3.18Å; Y69-T177 VanDerWaalsContact O-CG2 3.31Å; Y69-T177 WeakPolarHBondContact O-CG2 3.27Å; Y175-T177 PolarHBondContact O-N 2.94Å; T177-V291 HydrophobicContact CG2-CG1 3.72Å; T177-V291 WeakPolarHBondContact OG1-CA 3.39Å; T177-V291 VanDerWaalsContact OG1-CG1 3.25Å; T177-V291 WeakPolarHBondContact OG1-CG1 3.09Å
178	S	69.2	Low	75.6	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.021	20%	0.197	C	C	.	.			trans	-69.1	143	173.7	-169.1	0	0	0	0	111.7	W149 N180 S184 V292	W149-S178 WeakPolarHBondContact O-CA 3.39Å; W149-S178 WeakPolarHBondContact O-CB 3.28Å; W149-S178 PolarHBondContact O-OG 3.35Å; S178-N180 PolarHBondContact OG-N 2.93Å; S178-N180 PolarHBondContact OG-O 3.16Å; S178-S184 WeakPolarHBondContact CB-OG 3.25Å; S178-S184 PolarHBondContact OG-OG 3.14Å; S178-V292 WeakPolarHBondContact O-CB 3.33Å; S178-V292 WeakPolarHBondContact O-CG2 3.37Å; S178-V292 PolarHBondContact O-N 2.99Å
179	S	70.2	Confident	76.2	Confident	34 Å²	34	40.2 Å²	40.2	24%	0.238	21%	0.206	C	C	.	.	S	Bend	trans	-85.8	-17.2	172.8	62.4	0	0	0	0	113.1	E151	E151-S179 VanDerWaalsContact CD-OG 3.27Å; E151-S179 WeakPolarHBondContact OE1-CB 3.38Å; E151-S179 PolarHBondContact OE1-OG 3.42Å
180	N	80.6	Confident	76.7	Confident	56 Å²	56	39 Å²	39	30%	0.299	20%	0.203	S	C	.	.			trans	-117.5	113.3	-171.4	-169.2	-30.4	0	0	0	112.1	S178 I182 I183 S184	S178-N180 PolarHBondContact OG-N 2.93Å; S178-N180 PolarHBondContact OG-O 3.16Å; N180-I182 VanDerWaalsContact C-N 3.34Å; N180-I182 PolarHBondContact O-N 2.96Å; N180-I182 WeakPolarHBondContact OD1-CB 3.32Å; N180-I182 PolarHBondContact OD1-N 3.22Å; N180-I183 HydrophobicContact CB-CB 4.13Å; N180-I183 HydrophobicContact CB-CD1 3.92Å; N180-I183 HydrophobicContact CB-CG1 4.05Å; N180-I183 PolarHBondContact O-N 3.23Å; N180-I183 PolarHBondContact OD1-N 3.41Å; N180-S184 WeakPolarHBondContact O-CB 3.4Å; N180-S184 PolarHBondContact O-N 2.97Å; N180-S184 PolarHBondContact O-OG 3.24Å
181	P	83.1	Confident	77.1	Confident	29 Å²	29	40.4 Å²	40.4	19%	0.188	21%	0.212	C	C	.	.	H	α-helix	trans	-68	-32.2	-178.2	27.6	-35.6	0	0	0	112.5	S184 G185 F255 K257 V292	P181-S184 WeakPolarHBondContact O-CB 3.41Å; P181-S184 PolarHBondContact O-N 2.75Å; P181-G185 PolarHBondContact O-N 3.01Å; P181-F255 HydrophobicContact CB-CB 4.2Å; P181-F255 WeakPolarHBondContact CB-O 3.46Å; P181-K257 HydrophobicContact CG-CD 4.43Å; P181-K257 HydrophobicContact CG-CG 4.2Å; P181-V292 HydrophobicContact CB-CG1 4.47Å; P181-V292 HydrophobicContact CB-CG2 4.29Å
182	I	85.5	Confident	77.7	Confident	121 Å²	121	41 Å²	41	62%	0.621	22%	0.215	S	C	*	.	H	α-helix	trans	-67	-47	179.7	-59.6	174.5	0	0	0	109.7	N180 S184 G185 I186	N180-I182 VanDerWaalsContact C-N 3.34Å; N180-I182 PolarHBondContact O-N 2.96Å; N180-I182 WeakPolarHBondContact OD1-CB 3.32Å; N180-I182 PolarHBondContact OD1-N 3.22Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 3.02Å; I182-G185 PolarHBondContact O-N 3.45Å; I182-I186 HydrophobicContact CG2-CD1 4Å; I182-I186 WeakPolarHBondContact O-CG1 3.36Å; I182-I186 PolarHBondContact O-N 2.91Å
183	I	81.9	Confident	78.7	Confident	78 Å²	78	38 Å²	38	40%	0.4	20%	0.199	S	C	.	.	H	α-helix	trans	-63.1	-42.4	177.5	-62.4	178.3	0	0	0	110	W149 N180 G185 I186 L187	W149-I183 HydrophobicContact CB-CG2 4.31Å; N180-I183 HydrophobicContact CB-CB 4.13Å; N180-I183 HydrophobicContact CB-CD1 3.92Å; N180-I183 HydrophobicContact CB-CG1 4.05Å; N180-I183 PolarHBondContact O-N 3.23Å; N180-I183 PolarHBondContact OD1-N 3.41Å; I183-G185 VanDerWaalsContact C-N 3.32Å; I183-G185 PolarHBondContact O-N 3.18Å; I183-I186 PolarHBondContact O-N 3.36Å; I183-L187 VanDerWaalsContact O-CB 3.31Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 PolarHBondContact O-N 2.93Å
184	S	81.5	Confident	80	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-42.3	175.2	-67.8	0	0	0	0	112.5	Y69 S178 N180 P181 I182 L187 A188	Y69-S184 PolarHBondContact OH-O 3.45Å; S178-S184 WeakPolarHBondContact CB-OG 3.25Å; S178-S184 PolarHBondContact OG-OG 3.14Å; N180-S184 WeakPolarHBondContact O-CB 3.4Å; N180-S184 PolarHBondContact O-N 2.97Å; N180-S184 PolarHBondContact O-OG 3.24Å; P181-S184 WeakPolarHBondContact O-CB 3.41Å; P181-S184 PolarHBondContact O-N 2.75Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 3.02Å; S184-L187 PolarHBondContact O-N 2.96Å; S184-A188 WeakPolarHBondContact O-CB 3.46Å; S184-A188 PolarHBondContact O-N 2.9Å
185	G	86.2	Confident	81	Confident	11 Å²	11	35.3 Å²	35.3	11%	0.113	19%	0.189	C	C	.	.	H	α-helix	trans	-62.5	-52.2	174.5	0	0	0	0	0	112.2	P181 I182 I183 L187 A188 W189	P181-G185 PolarHBondContact O-N 3.01Å; I182-G185 PolarHBondContact O-N 3.45Å; I183-G185 VanDerWaalsContact C-N 3.32Å; I183-G185 PolarHBondContact O-N 3.18Å; G185-L187 VanDerWaalsContact C-N 3.27Å; G185-L187 PolarHBondContact O-N 3.25Å; G185-A188 PolarHBondContact O-N 3.39Å; G185-A188 VanDerWaalsContact O-N 3.11Å; G185-W189 PolarHBondContact O-N 3.2Å
186	I	87	Confident	82	Confident	86 Å²	86	35.9 Å²	35.9	44%	0.441	19%	0.193	S	C	.	.	H	α-helix	trans	-56.9	-44	178	-68.2	167.6	0	0	0	110.5	M137 I182 I183 A188 W189 T190	M137-I186 HydrophobicContact CE-CG2 4.01Å; I182-I186 HydrophobicContact CG2-CD1 4Å; I182-I186 WeakPolarHBondContact O-CG1 3.36Å; I182-I186 PolarHBondContact O-N 2.91Å; I183-I186 PolarHBondContact O-N 3.36Å; I186-A188 PolarHBondContact O-N 2.95Å; I186-W189 PolarHBondContact O-N 2.91Å; I186-T190 HydrophobicContact CG2-CG2 4.22Å; I186-T190 WeakPolarHBondContact O-CB 3.47Å; I186-T190 WeakPolarHBondContact O-CG2 3.12Å; I186-T190 PolarHBondContact O-N 3.5Å; I186-T190 PolarHBondContact O-OG1 3.46Å
187	L	83.7	Confident	83.6	Confident	8 Å²	8	34.8 Å²	34.8	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-48.2	176.4	178.8	69.8	0	0	0	111.1	M137 W149 I183 S184 G185 W189 T190 T191	M137-L187 HydrophobicContact CB-CD1 3.94Å; M137-L187 HydrophobicContact CG-CD1 3.85Å; M137-L187 HydrophobicContact SD-CD1 4.06Å; W149-L187 HydrophobicContact CB-CD2 4.13Å; W149-L187 HydrophobicContact CD2-CD1 4.08Å; W149-L187 HydrophobicContact CD2-CD2 3.64Å; W149-L187 HydrophobicContact CE3-CD1 4.04Å; W149-L187 HydrophobicContact CE3-CD2 4.36Å; W149-L187 HydrophobicContact CG-CD2 3.49Å; W149-L187 VanDerWaalsContact CG-CD2 3.49Å; W149-L187 HydrophobicContact CH2-CD1 4.15Å; W149-L187 HydrophobicContact CZ2-CD1 4.19Å; W149-L187 HydrophobicContact CZ2-CD2 4.45Å; W149-L187 HydrophobicContact CZ3-CD1 4.07Å; I183-L187 VanDerWaalsContact O-CB 3.31Å; I183-L187 WeakPolarHBondContact O-CB 3.44Å; I183-L187 PolarHBondContact O-N 2.93Å; S184-L187 PolarHBondContact O-N 2.96Å; G185-L187 VanDerWaalsContact C-N 3.27Å; G185-L187 PolarHBondContact O-N 3.25Å; L187-W189 VanDerWaalsContact C-N 3.34Å; L187-W189 PolarHBondContact O-N 3.42Å; L187-T190 PolarHBondContact O-N 3.06Å; L187-T190 PolarHBondContact O-OG1 3.45Å; L187-T191 HydrophobicContact CD1-CG2 3.73Å; L187-T191 WeakPolarHBondContact O-CB 3.34Å; L187-T191 PolarHBondContact O-N 3.14Å; L187-T191 PolarHBondContact O-OG1 3.38Å
188	A	84.3	Confident	84.9	Confident	2 Å²	2	35.5 Å²	35.5	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-40.1	179.6	0	0	0	0	0	112.2	S184 G185 I186 V192 F193 F255	S184-A188 WeakPolarHBondContact O-CB 3.46Å; S184-A188 PolarHBondContact O-N 2.9Å; G185-A188 PolarHBondContact O-N 3.39Å; G185-A188 VanDerWaalsContact O-N 3.11Å; I186-A188 PolarHBondContact O-N 2.95Å; A188-V192 CarbonylContact O-C 3.44Å; A188-V192 WeakPolarHBondContact O-CA 3.32Å; A188-V192 WeakPolarHBondContact O-CB 3.49Å; A188-V192 PolarHBondContact O-N 3.24Å; A188-F193 HydrophobicContact CB-CD2 4.16Å; A188-F193 HydrophobicContact CB-CE2 3.51Å; A188-F193 HydrophobicContact CB-CZ 3.85Å; A188-F193 PolarHBondContact O-N 3.44Å; A188-F255 HydrophobicContact CB-CE1 4.25Å; A188-F255 HydrophobicContact CB-CE2 3.8Å; A188-F255 HydrophobicContact CB-CZ 3.3Å
189	W	89.3	Confident	85.8	Confident	101 Å²	101	36.3 Å²	36.3	38%	0.383	20%	0.196	S	C	.	.	I	π-helix	trans	-63.8	-45.5	176.1	-83.3	101.5	0	0	0	112.9	G185 I186 L187 F193 L194 F251	G185-W189 PolarHBondContact O-N 3.2Å; I186-W189 PolarHBondContact O-N 2.91Å; L187-W189 VanDerWaalsContact C-N 3.34Å; L187-W189 PolarHBondContact O-N 3.42Å; W189-F193 HydrophobicContact CB-CD2 4.24Å; W189-F193 HydrophobicContact CD2-CB 4.32Å; W189-F193 AromaticContact CD2-CD2 3.64Å; W189-F193 HydrophobicContact CD2-CD2 3.64Å; W189-F193 HydrophobicContact CD2-CG 4.43Å; W189-F193 AromaticContact CE2-CD2 3.9Å; W189-F193 HydrophobicContact CE3-CB 3.88Å; W189-F193 HydrophobicContact CE3-CD2 4.06Å; W189-F193 HydrophobicContact CE3-CG 4.43Å; W189-F193 AromaticContact CG-CD2 3.72Å; W189-F193 HydrophobicContact CG-CD2 3.72Å; W189-F193 HydrophobicContact CG-CE2 4.42Å; W189-F193 HydrophobicContact CZ3-CB 4.27Å; W189-L194 HydrophobicContact CE3-CD1 4.5Å; W189-L194 HydrophobicContact CE3-CD2 4.19Å; W189-L194 HydrophobicContact CE3-CG 4Å; W189-L194 HydrophobicContact CZ3-CD2 4.3Å; W189-L194 WeakPolarHBondContact O-CB 3.5Å; W189-L194 WeakPolarHBondContact O-CG 3.48Å; W189-L194 PolarHBondContact O-N 3.43Å; W189-F251 HydrophobicContact CH2-CB 3.92Å; W189-F251 AromaticContact CH2-CD1 3.63Å; W189-F251 HydrophobicContact CH2-CD1 3.63Å; W189-F251 HydrophobicContact CH2-CD2 4.29Å; W189-F251 HydrophobicContact CH2-CE1 4.24Å; W189-F251 AromaticContact CH2-CG 3.68Å; W189-F251 HydrophobicContact CH2-CG 3.68Å; W189-F251 HydrophobicContact CZ2-CB 4.26Å; W189-F251 HydrophobicContact CZ2-CD1 4.43Å; W189-F251 HydrophobicContact CZ2-CG 4.47Å; W189-F251 AromaticContact CZ3-CD1 3.83Å; W189-F251 HydrophobicContact CZ3-CD1 3.83Å; W189-F251 HydrophobicContact CZ3-CE1 4Å; W189-F251 HydrophobicContact CZ3-CG 4.28Å
190	T	87.9	Confident	86.9	Confident	25 Å²	25	34.7 Å²	34.7	15%	0.153	19%	0.185	C	C	.	.	I	π-helix	trans	-80.6	-29.3	-174.3	53	0	0	0	0	113.9	L133 M137 I186 L187 P195	L133-T190 CarbonylContact C-O 3.55Å; L133-T190 WeakPolarHBondContact O-CB 3.43Å; M137-T190 WeakPolarHBondContact CG-OG1 3.37Å; I186-T190 HydrophobicContact CG2-CG2 4.22Å; I186-T190 WeakPolarHBondContact O-CB 3.47Å; I186-T190 WeakPolarHBondContact O-CG2 3.12Å; I186-T190 PolarHBondContact O-N 3.5Å; I186-T190 PolarHBondContact O-OG1 3.46Å; L187-T190 PolarHBondContact O-N 3.06Å; L187-T190 PolarHBondContact O-OG1 3.45Å; T190-P195 WeakPolarHBondContact O-CD 3.26Å; T190-P195 WeakPolarHBondContact O-CG 3.48Å
191	T	83.4	Confident	87.6	Confident	30 Å²	30	32 Å²	32	18%	0.184	17%	0.171	C	C	.	.	I	π-helix	trans	-104.6	-25.4	-176.2	63.9	0	0	0	0	114.1	P134 M137 L187	P134-T191 HydrophobicContact CB-CG2 4.21Å; M137-T191 HydrophobicContact CB-CG2 3.96Å; M137-T191 HydrophobicContact CG-CG2 4.1Å; L187-T191 HydrophobicContact CD1-CG2 3.73Å; L187-T191 WeakPolarHBondContact O-CB 3.34Å; L187-T191 PolarHBondContact O-N 3.14Å; L187-T191 PolarHBondContact O-OG1 3.38Å
192	V	83.2	Confident	88	Confident	58 Å²	58	30.9 Å²	30.9	35%	0.352	16%	0.163	S	C	.	.	I	π-helix	trans	-119.6	-59	-175	-161.4	0	0	0	0	112	A188 T196 M250	A188-V192 CarbonylContact O-C 3.44Å; A188-V192 WeakPolarHBondContact O-CA 3.32Å; A188-V192 WeakPolarHBondContact O-CB 3.49Å; A188-V192 PolarHBondContact O-N 3.24Å; V192-T196 VanDerWaalsContact O-CB 3.25Å; V192-T196 WeakPolarHBondContact O-CB 3.38Å; V192-T196 PolarHBondContact O-N 3.29Å; V192-T196 VanDerWaalsContact O-N 3.14Å; V192-T196 PolarHBondContact O-OG1 3.23Å; V192-M250 HydrophobicContact CB-CE 4.32Å; V192-M250 HydrophobicContact CG1-CE 3.39Å
193	F	89	Confident	88.2	Confident	1 Å²	1	25.4 Å²	25.4	0%	0.004	14%	0.136	C	C	.	.	I	π-helix	trans	-67.7	-60.9	-169.7	-55.3	-41.9	0	0	0	112.6	A188 W189 T196 V197 M250 F251 S253 F255	A188-F193 HydrophobicContact CB-CD2 4.16Å; A188-F193 HydrophobicContact CB-CE2 3.51Å; A188-F193 HydrophobicContact CB-CZ 3.85Å; A188-F193 PolarHBondContact O-N 3.44Å; W189-F193 HydrophobicContact CB-CD2 4.24Å; W189-F193 HydrophobicContact CD2-CB 4.32Å; W189-F193 AromaticContact CD2-CD2 3.64Å; W189-F193 HydrophobicContact CD2-CD2 3.64Å; W189-F193 HydrophobicContact CD2-CG 4.43Å; W189-F193 AromaticContact CE2-CD2 3.9Å; W189-F193 HydrophobicContact CE3-CB 3.88Å; W189-F193 HydrophobicContact CE3-CD2 4.06Å; W189-F193 HydrophobicContact CE3-CG 4.43Å; W189-F193 AromaticContact CG-CD2 3.72Å; W189-F193 HydrophobicContact CG-CD2 3.72Å; W189-F193 HydrophobicContact CG-CE2 4.42Å; W189-F193 HydrophobicContact CZ3-CB 4.27Å; F193-T196 PolarHBondContact O-N 3.38Å; F193-V197 WeakPolarHBondContact O-CG2 3.2Å; F193-V197 PolarHBondContact O-N 3.05Å; F193-V197 VanDerWaalsContact O-N 3.15Å; F193-M250 HydrophobicContact CD1-CE 3.31Å; F193-M250 HydrophobicContact CD1-CG 3.55Å; F193-M250 HydrophobicContact CD1-SD 3.8Å; F193-M250 HydrophobicContact CE1-CE 3.55Å; F193-M250 HydrophobicContact CE1-CG 3.56Å; F193-M250 HydrophobicContact CE1-SD 4.23Å; F193-F251 HydrophobicContact CB-CD1 4.18Å; F193-F251 HydrophobicContact CB-CE1 4Å; F193-F251 HydrophobicContact CG-CD1 4.38Å; F193-S253 WeakPolarHBondContact CZ-OG 3.3Å; F193-F255 HydrophobicContact CE2-CE2 4.37Å
194	L	91.5	Very high	88.8	Confident	54 Å²	54	25.1 Å²	25.1	28%	0.283	13%	0.13	S	C	.	.	H	α-helix	trans	-67.6	-40.9	-177.1	-64.2	170.6	0	0	0	113	L133 W189 T196 V197 C198	L133-L194 HydrophobicContact CD1-CB 3.51Å; L133-L194 HydrophobicContact CD1-CD1 4.46Å; L133-L194 HydrophobicContact CD2-CB 4.28Å; L133-L194 HydrophobicContact CD2-CD1 3.73Å; L133-L194 HydrophobicContact CG-CB 4.46Å; W189-L194 HydrophobicContact CE3-CD1 4.5Å; W189-L194 HydrophobicContact CE3-CD2 4.19Å; W189-L194 HydrophobicContact CE3-CG 4Å; W189-L194 HydrophobicContact CZ3-CD2 4.3Å; W189-L194 WeakPolarHBondContact O-CB 3.5Å; W189-L194 WeakPolarHBondContact O-CG 3.48Å; W189-L194 PolarHBondContact O-N 3.43Å; L194-T196 VanDerWaalsContact C-N 3.28Å; L194-T196 PolarHBondContact O-N 2.88Å; L194-V197 PolarHBondContact O-N 3.35Å; L194-C198 PolarHBondContact O-N 3.48Å; L194-C198 PolarHBondContact O-SG 3.21Å
195	P	90.4	Very high	89.4	Confident	12 Å²	12	25.2 Å²	25.2	8%	0.078	13%	0.13	C	C	.	.	H	α-helix	trans	-56.5	-40.6	171.9	-32	41.1	0	0	0	113.3	N130 L133 T190 V197 C198 H199	N130-P195 WeakPolarHBondContact OD1-CA 3.22Å; N130-P195 WeakPolarHBondContact OD1-CB 3.34Å; N130-P195 PolarHBondContact OD1-O 2.8Å; N130-P195 VanDerWaalsContact OD1-O 3.04Å; L133-P195 HydrophobicContact CB-CG 4.32Å; T190-P195 WeakPolarHBondContact O-CD 3.26Å; T190-P195 WeakPolarHBondContact O-CG 3.48Å; P195-V197 PolarHBondContact O-N 3.5Å; P195-C198 PolarHBondContact O-N 2.94Å; P195-H199 WeakPolarHBondContact O-CB 3.47Å; P195-H199 PolarHBondContact O-N 3.41Å
196	T	89	Confident	89.5	Confident	17 Å²	17	25.5 Å²	25.5	10%	0.104	13%	0.13	C	C	.	.	H	α-helix	trans	-64.1	-43	177	-57.6	0	0	0	0	111.4	V192 F193 L194 C198 H199 T200 H247	V192-T196 VanDerWaalsContact O-CB 3.25Å; V192-T196 WeakPolarHBondContact O-CB 3.38Å; V192-T196 PolarHBondContact O-N 3.29Å; V192-T196 VanDerWaalsContact O-N 3.14Å; V192-T196 PolarHBondContact O-OG1 3.23Å; F193-T196 PolarHBondContact O-N 3.38Å; L194-T196 VanDerWaalsContact C-N 3.28Å; L194-T196 PolarHBondContact O-N 2.88Å; T196-C198 VanDerWaalsContact C-N 3.35Å; T196-C198 PolarHBondContact O-N 2.76Å; T196-H199 PolarHBondContact O-N 3.44Å; T196-T200 PolarHBondContact O-N 2.96Å; T196-T200 PolarHBondContact O-OG1 3.33Å; T196-T200 VanDerWaalsContact O-OG1 3.08Å; T196-H247 VanDerWaalsContact CG2-CE1 3.47Å; T196-H247 WeakPolarHBondContact CG2-CE1 3.4Å
197	V	93.6	Very high	89.8	Confident	4 Å²	4	22.1 Å²	22.1	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-43.5	175.3	176.9	0	0	0	0	111.3	F193 L194 P195 T200 T201 L240 A243 L244 H247 F251	F193-V197 WeakPolarHBondContact O-CG2 3.2Å; F193-V197 PolarHBondContact O-N 3.05Å; F193-V197 VanDerWaalsContact O-N 3.15Å; L194-V197 PolarHBondContact O-N 3.35Å; P195-V197 PolarHBondContact O-N 3.5Å; V197-T200 PolarHBondContact O-N 3.04Å; V197-T201 WeakPolarHBondContact O-CB 3.5Å; V197-T201 PolarHBondContact O-N 3.39Å; V197-T201 PolarHBondContact O-OG1 2.9Å; V197-L240 HydrophobicContact CG1-CD1 4.16Å; V197-A243 HydrophobicContact CG1-CB 4.11Å; V197-L244 HydrophobicContact CG1-CD2 3.79Å; V197-L244 HydrophobicContact CG1-CG 3.98Å; V197-L244 HydrophobicContact CG2-CD2 4.14Å; V197-H247 HydrophobicContact CG2-CB 4.13Å; V197-F251 HydrophobicContact CG2-CE1 4.13Å; V197-F251 HydrophobicContact CG2-CZ 3.67Å
198	C	92.8	Very high	90.2	Very high	15 Å²	15	23.1 Å²	23.1	10%	0.101	12%	0.117	C	C	.	.	H	α-helix	trans	-62	-45.6	177.2	-67.3	0	0	0	0	110.8	V126 N130 L194 P195 T196 T201 A202	V126-C198 HydrophobicContact CG1-CB 3.73Å; V126-C198 WeakPolarHBondContact CG1-O 3.45Å; N130-C198 HydrophobicContact CB-CB 3.97Å; L194-C198 PolarHBondContact O-N 3.48Å; L194-C198 PolarHBondContact O-SG 3.21Å; P195-C198 PolarHBondContact O-N 2.94Å; T196-C198 VanDerWaalsContact C-N 3.35Å; T196-C198 PolarHBondContact O-N 2.76Å; C198-T201 PolarHBondContact O-N 2.97Å; C198-A202 WeakPolarHBondContact O-CB 3.14Å; C198-A202 PolarHBondContact O-N 3.34Å
199	H	88.5	Confident	90.5	Very high	20 Å²	20	23.3 Å²	23.3	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-56.8	-52.4	174.7	177.4	68.5	0	0	0	111.8	P195 T196 T201 A202 T203 H315 H485 Y582	P195-H199 WeakPolarHBondContact O-CB 3.47Å; P195-H199 PolarHBondContact O-N 3.41Å; T196-H199 PolarHBondContact O-N 3.44Å; H199-T201 VanDerWaalsContact C-N 3.29Å; H199-T201 PolarHBondContact O-N 3.22Å; H199-A202 PolarHBondContact O-N 2.91Å; H199-A202 VanDerWaalsContact O-N 3.17Å; H199-T203 PolarHBondContact O-N 2.94Å; H199-T203 PolarHBondContact O-OG1 3.38Å; H199-T203 VanDerWaalsContact O-OG1 3.12Å; H199-H315 AromaticContact NE2-CE1 3.92Å; H199-H485 AromaticContact CE1-CE1 3.67Å; H199-H485 AromaticContact CE1-ND1 3.68Å; H199-Y582 PolarHBondContact ND1-OH 2.92Å
200	T	92.1	Very high	90.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56	-45.4	178.1	-61.7	0	0	0	0	111.2	T196 V197 T203 W204 A243 L246 H247 I314	T196-T200 PolarHBondContact O-N 2.96Å; T196-T200 PolarHBondContact O-OG1 3.33Å; T196-T200 VanDerWaalsContact O-OG1 3.08Å; V197-T200 PolarHBondContact O-N 3.04Å; T200-T203 PolarHBondContact O-N 3.38Å; T200-W204 VanDerWaalsContact O-CD1 3.26Å; T200-W204 PolarHBondContact O-N 3.22Å; T200-A243 HydrophobicContact CG2-CB 3.89Å; T200-L246 HydrophobicContact CG2-CD2 4.34Å; T200-H247 PolarHBondContact OG1-NE2 2.9Å; T200-I314 HydrophobicContact CG2-CD1 4.18Å; T200-I314 HydrophobicContact CG2-CG1 3.94Å; T200-I314 WeakPolarHBondContact OG1-CD1 3.07Å
201	T	94.7	Very high	90.5	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-48.1	177.8	-57.1	0	0	0	0	111.1	V126 V197 C198 H199 T203 W204 L205 V239 L240 A243	V126-T201 HydrophobicContact CG1-CG2 4.24Å; V126-T201 HydrophobicContact CG2-CG2 3.96Å; V197-T201 WeakPolarHBondContact O-CB 3.5Å; V197-T201 PolarHBondContact O-N 3.39Å; V197-T201 PolarHBondContact O-OG1 2.9Å; C198-T201 PolarHBondContact O-N 2.97Å; H199-T201 VanDerWaalsContact C-N 3.29Å; H199-T201 PolarHBondContact O-N 3.22Å; T201-T203 VanDerWaalsContact C-N 3.34Å; T201-T203 PolarHBondContact O-N 3.05Å; T201-W204 PolarHBondContact O-N 3.48Å; T201-L205 HydrophobicContact CG2-CD1 4Å; T201-L205 HydrophobicContact CG2-CG 4.29Å; T201-L205 WeakPolarHBondContact O-CB 3.35Å; T201-L205 VanDerWaalsContact O-CG 3.24Å; T201-L205 WeakPolarHBondContact O-CG 3.1Å; T201-L205 PolarHBondContact O-N 3.36Å; T201-V239 HydrophobicContact CG2-CG1 4.22Å; T201-L240 HydrophobicContact CG2-CB 4.16Å; T201-L240 HydrophobicContact CG2-CD1 4.18Å; T201-L240 WeakPolarHBondContact OG1-CD1 3.18Å; T201-A243 WeakPolarHBondContact OG1-CB 3.36Å
202	A	92.4	Very high	90.9	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-40.5	178.7	0	0	0	0	0	112.3	V126 E127 C198 H199 T206	V126-A202 HydrophobicContact CG1-CB 4.16Å; E127-A202 HydrophobicContact CG-CB 4.23Å; C198-A202 WeakPolarHBondContact O-CB 3.14Å; C198-A202 PolarHBondContact O-N 3.34Å; H199-A202 PolarHBondContact O-N 2.91Å; H199-A202 VanDerWaalsContact O-N 3.17Å; A202-T206 WeakPolarHBondContact O-CB 3.24Å; A202-T206 PolarHBondContact O-N 3.48Å; A202-T206 PolarHBondContact O-OG1 3.43Å
203	T	89.4	Confident	90.9	Very high	6 Å²	6	17.7 Å²	17.7	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-63.3	-49	177.2	-61	0	0	0	0	111.9	H199 T200 T201 T206 L207 P318 F481	H199-T203 PolarHBondContact O-N 2.94Å; H199-T203 PolarHBondContact O-OG1 3.38Å; H199-T203 VanDerWaalsContact O-OG1 3.12Å; T200-T203 PolarHBondContact O-N 3.38Å; T201-T203 VanDerWaalsContact C-N 3.34Å; T201-T203 PolarHBondContact O-N 3.05Å; T203-T206 WeakPolarHBondContact O-CB 3.48Å; T203-T206 PolarHBondContact O-N 2.84Å; T203-L207 PolarHBondContact O-N 2.8Å; T203-P318 HydrophobicContact CG2-CB 3.5Å; T203-P318 HydrophobicContact CG2-CG 3.9Å; T203-F481 HydrophobicContact CG2-CE1 4.48Å
204	W	94.5	Very high	90.9	Very high	73 Å²	73	18.5 Å²	18.5	28%	0.277	9%	0.093	S	C	.	.	H	α-helix	trans	-68.1	-36.2	178.5	-80.1	103.3	0	0	0	112.8	T200 T201 T206 L207 F208 V239 L313 L317 P318	T200-W204 VanDerWaalsContact O-CD1 3.26Å; T200-W204 PolarHBondContact O-N 3.22Å; T201-W204 PolarHBondContact O-N 3.48Å; W204-T206 VanDerWaalsContact C-N 3.31Å; W204-T206 PolarHBondContact O-N 3.26Å; W204-L207 HydrophobicContact CE3-CD2 3.67Å; W204-L207 HydrophobicContact CH2-CD2 4.49Å; W204-L207 HydrophobicContact CZ3-CD2 3.53Å; W204-L207 WeakPolarHBondContact O-CB 3.44Å; W204-L207 PolarHBondContact O-N 2.85Å; W204-F208 WeakPolarHBondContact O-CB 3.23Å; W204-F208 PolarHBondContact O-N 3.39Å; W204-V239 HydrophobicContact CB-CG1 3.59Å; W204-L313 VanDerWaalsContact CZ2-O 3.26Å; W204-L313 WeakPolarHBondContact CZ2-O 3.21Å; W204-L313 PolarHBondContact NE1-O 3.38Å; W204-L317 HydrophobicContact CH2-CD2 3.92Å; W204-L317 HydrophobicContact CZ2-CD2 4.36Å; W204-P318 HydrophobicContact CZ2-CG 4.15Å
205	L	93.7	Very high	90.8	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-64.4	-36.6	171.4	-71	-178.2	0	0	0	112	V119 I123 T201 F208 V209 C236 V239	V119-L205 HydrophobicContact CG1-CB 4.22Å; V119-L205 HydrophobicContact CG1-CD2 4.31Å; I123-L205 HydrophobicContact CD1-CB 4.07Å; I123-L205 HydrophobicContact CG1-CB 3.57Å; I123-L205 HydrophobicContact CG1-CD1 4.15Å; T201-L205 HydrophobicContact CG2-CD1 4Å; T201-L205 HydrophobicContact CG2-CG 4.29Å; T201-L205 WeakPolarHBondContact O-CB 3.35Å; T201-L205 VanDerWaalsContact O-CG 3.24Å; T201-L205 WeakPolarHBondContact O-CG 3.1Å; T201-L205 PolarHBondContact O-N 3.36Å; L205-F208 WeakPolarHBondContact O-CB 3.29Å; L205-F208 PolarHBondContact O-N 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.37Å; L205-V209 PolarHBondContact O-N 3.08Å; L205-C236 HydrophobicContact CD2-CB 4.31Å; L205-V239 HydrophobicContact CD2-CB 4.11Å; L205-V239 HydrophobicContact CD2-CG1 4.2Å; L205-V239 HydrophobicContact CD2-CG2 4.2Å; L205-V239 HydrophobicContact CG-CG1 4.23Å
206	T	89.7	Confident	90.5	Very high	17 Å²	17	19.9 Å²	19.9	10%	0.104	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-42.2	175.5	-57.5	0	0	0	0	111.4	A202 T203 W204 F208 V209 A210 L322 I477 F481	A202-T206 WeakPolarHBondContact O-CB 3.24Å; A202-T206 PolarHBondContact O-N 3.48Å; A202-T206 PolarHBondContact O-OG1 3.43Å; T203-T206 WeakPolarHBondContact O-CB 3.48Å; T203-T206 PolarHBondContact O-N 2.84Å; W204-T206 VanDerWaalsContact C-N 3.31Å; W204-T206 PolarHBondContact O-N 3.26Å; T206-F208 VanDerWaalsContact C-N 3.3Å; T206-F208 PolarHBondContact O-N 3.46Å; T206-V209 PolarHBondContact O-N 2.94Å; T206-A210 PolarHBondContact O-N 2.95Å; T206-L322 HydrophobicContact CG2-CD2 4.42Å; T206-I477 HydrophobicContact CG2-CG2 4.16Å; T206-F481 HydrophobicContact CG2-CD2 4.42Å; T206-F481 HydrophobicContact CG2-CE2 3.38Å; T206-F481 HydrophobicContact CG2-CZ 3.55Å
207	L	91.9	Very high	90.3	Very high	15 Å²	15	20.3 Å²	20.3	8%	0.079	10%	0.098	C	C	.	.	H	α-helix	trans	-59.5	-43	171.5	-177.3	69.8	0	0	0	111.4	T203 W204 V209 A210 L211 L321 L322 L325	T203-L207 PolarHBondContact O-N 2.8Å; W204-L207 HydrophobicContact CE3-CD2 3.67Å; W204-L207 HydrophobicContact CH2-CD2 4.49Å; W204-L207 HydrophobicContact CZ3-CD2 3.53Å; W204-L207 WeakPolarHBondContact O-CB 3.44Å; W204-L207 PolarHBondContact O-N 2.85Å; L207-V209 PolarHBondContact O-N 3.35Å; L207-A210 WeakPolarHBondContact O-CB 3.43Å; L207-A210 PolarHBondContact O-N 3.35Å; L207-L211 PolarHBondContact O-N 2.94Å; L207-L321 HydrophobicContact CD1-CB 3.53Å; L207-L321 HydrophobicContact CD2-CB 4.25Å; L207-L321 HydrophobicContact CD2-CD1 3.79Å; L207-L322 HydrophobicContact CB-CD2 4.46Å; L207-L322 HydrophobicContact CD1-CD2 4.01Å; L207-L322 HydrophobicContact CD1-CG 3.84Å; L207-L325 HydrophobicContact CD1-CD1 3.6Å; L207-L325 HydrophobicContact CG-CD1 4.49Å
208	F	93.3	Very high	90	Very high	29 Å²	29	23.1 Å²	23.1	13%	0.127	11%	0.112	C	C	.	.	H	α-helix	trans	-61.8	-41.2	176	-179.1	-107.9	0	0	0	112.3	V119 W204 L205 T206 A210 L211 Q212 F227 V232 V235	V119-F208 HydrophobicContact CG1-CD1 4.07Å; V119-F208 HydrophobicContact CG2-CD1 3.73Å; V119-F208 HydrophobicContact CG2-CE1 3.63Å; W204-F208 WeakPolarHBondContact O-CB 3.23Å; W204-F208 PolarHBondContact O-N 3.39Å; L205-F208 WeakPolarHBondContact O-CB 3.29Å; L205-F208 PolarHBondContact O-N 3.29Å; T206-F208 VanDerWaalsContact C-N 3.3Å; T206-F208 PolarHBondContact O-N 3.46Å; F208-A210 VanDerWaalsContact C-N 3.33Å; F208-A210 PolarHBondContact O-N 3.29Å; F208-L211 PolarHBondContact O-N 3.33Å; F208-Q212 WeakPolarHBondContact O-CB 3.18Å; F208-Q212 PolarHBondContact O-N 2.89Å; F208-F227 AromaticContact CE2-CE1 3.92Å; F208-F227 HydrophobicContact CE2-CE1 3.92Å; F208-F227 HydrophobicContact CZ-CD1 4.07Å; F208-F227 AromaticContact CZ-CE1 3.68Å; F208-F227 HydrophobicContact CZ-CE1 3.68Å; F208-V232 HydrophobicContact CE1-CG2 4.44Å; F208-V235 HydrophobicContact CD1-CG1 4.01Å; F208-V235 HydrophobicContact CD2-CG1 3.93Å; F208-V235 HydrophobicContact CE1-CB 4.36Å; F208-V235 HydrophobicContact CE1-CG1 3.88Å; F208-V235 HydrophobicContact CE2-CG1 3.79Å; F208-V235 HydrophobicContact CE2-CG2 4.32Å; F208-V235 HydrophobicContact CG-CG1 4.04Å; F208-V235 HydrophobicContact CZ-CB 4.16Å; F208-V235 HydrophobicContact CZ-CG1 3.77Å; F208-V235 HydrophobicContact CZ-CG2 4.1Å
209	V	89.3	Confident	89.7	Confident	6 Å²	6	29.2 Å²	29.2	4%	0.036	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-43.3	173.4	173	0	0	0	0	111.1	V119 L120 I123 L205 T206 L207 Q212 R213	V119-V209 HydrophobicContact CB-CG2 3.67Å; V119-V209 HydrophobicContact CG1-CG2 3.26Å; V119-V209 HydrophobicContact CG2-CG2 4.46Å; L120-V209 HydrophobicContact CD2-CG2 4.46Å; I123-V209 HydrophobicContact CD1-CG2 3.91Å; L205-V209 WeakPolarHBondContact O-CG2 3.37Å; L205-V209 PolarHBondContact O-N 3.08Å; T206-V209 PolarHBondContact O-N 2.94Å; L207-V209 PolarHBondContact O-N 3.35Å; V209-Q212 PolarHBondContact O-N 3.12Å; V209-R213 HydrophobicContact CG1-CG 4.37Å; V209-R213 VanDerWaalsContact CG1-NE 3.31Å; V209-R213 WeakPolarHBondContact O-CB 3.45Å; V209-R213 WeakPolarHBondContact O-CG 3.49Å; V209-R213 PolarHBondContact O-N 2.72Å
210	A	87.3	Confident	89.5	Confident	2 Å²	2	31.7 Å²	31.7	2%	0.017	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-46	177.9	0	0	0	0	0	111.4	T206 L207 F208 R213 L214 L322 L325 I329 L474	T206-A210 PolarHBondContact O-N 2.95Å; L207-A210 WeakPolarHBondContact O-CB 3.43Å; L207-A210 PolarHBondContact O-N 3.35Å; F208-A210 VanDerWaalsContact C-N 3.33Å; F208-A210 PolarHBondContact O-N 3.29Å; A210-R213 PolarHBondContact O-N 2.83Å; A210-L214 PolarHBondContact O-N 3.01Å; A210-L322 HydrophobicContact CB-CD2 3.72Å; A210-L325 HydrophobicContact CB-CB 4.49Å; A210-L325 HydrophobicContact CB-CD1 4.21Å; A210-I329 WeakPolarHBondContact O-CD1 3.32Å; A210-L474 HydrophobicContact CB-CD1 4.41Å
211	L	90.8	Very high	89.1	Confident	72 Å²	72	38.6 Å²	38.6	38%	0.377	19%	0.189	S	C	.	.	H	α-helix	trans	-63.1	-46.2	176.6	-179.7	63.8	0	0	0	112	L207 F208 R213 L214 I215 L325	L207-L211 PolarHBondContact O-N 2.94Å; F208-L211 PolarHBondContact O-N 3.33Å; L211-R213 VanDerWaalsContact C-N 3.29Å; L211-R213 PolarHBondContact O-N 3.18Å; L211-L214 WeakPolarHBondContact O-CB 3.27Å; L211-L214 PolarHBondContact O-N 3.17Å; L211-I215 HydrophobicContact CD1-CD1 4.22Å; L211-I215 HydrophobicContact CG-CD1 4.01Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 2.96Å; L211-L325 HydrophobicContact CB-CD1 4.3Å; L211-L325 HydrophobicContact CD1-CD2 4.19Å
212	Q	91	Very high	88.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-56.6	-45.7	176.7	-176.7	-175.5	25.2	0	0	110.5	V116 F208 V209 I215 Y216 F227	V116-Q212 HydrophobicContact CG2-CG 4.46Å; F208-Q212 WeakPolarHBondContact O-CB 3.18Å; F208-Q212 PolarHBondContact O-N 2.89Å; V209-Q212 PolarHBondContact O-N 3.12Å; Q212-I215 PolarHBondContact O-N 3.38Å; Q212-Y216 HydrophobicContact CG-CD2 3.84Å; Q212-Y216 HydrophobicContact CG-CE2 3.57Å; Q212-Y216 WeakPolarHBondContact O-CD2 3.46Å; Q212-Y216 PolarHBondContact O-N 3.47Å; Q212-F227 HydrophobicContact CB-CE2 4.43Å; Q212-F227 HydrophobicContact CB-CZ 4.37Å; Q212-F227 HydrophobicContact CG-CD1 4.39Å; Q212-F227 HydrophobicContact CG-CD2 3.92Å; Q212-F227 HydrophobicContact CG-CE1 4.44Å; Q212-F227 HydrophobicContact CG-CE2 3.96Å; Q212-F227 HydrophobicContact CG-CG 4.13Å; Q212-F227 HydrophobicContact CG-CZ 4.23Å
213	R	84.7	Confident	88.3	Confident	22 Å²	22	44.6 Å²	44.6	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-43.7	176.3	-74.5	173	-176.3	-161.6	1.3	112.3	V209 A210 L211 I215 Y216 I217 M473	V209-R213 HydrophobicContact CG1-CG 4.37Å; V209-R213 VanDerWaalsContact CG1-NE 3.31Å; V209-R213 WeakPolarHBondContact O-CB 3.45Å; V209-R213 WeakPolarHBondContact O-CG 3.49Å; V209-R213 PolarHBondContact O-N 2.72Å; A210-R213 PolarHBondContact O-N 2.83Å; L211-R213 VanDerWaalsContact C-N 3.29Å; L211-R213 PolarHBondContact O-N 3.18Å; R213-I215 VanDerWaalsContact C-N 3.3Å; R213-I215 PolarHBondContact O-N 3.1Å; R213-Y216 PolarHBondContact O-N 3.49Å; R213-I217 VanDerWaalsContact O-CG1 3.31Å; R213-I217 WeakPolarHBondContact O-CG1 3.46Å; R213-I217 PolarHBondContact O-N 2.8Å; R213-M473 PolarHBondContact NH2-SD 3.29Å
214	L	87.4	Confident	87.9	Confident	17 Å²	17	49 Å²	49	9%	0.089	24%	0.24	C	C	.	.	H	α-helix	trans	-57.3	-45.4	175.3	177.6	61.7	0	0	0	111.3	A210 L211 I217 I218 L325 I328 I329	A210-L214 PolarHBondContact O-N 3.01Å; L211-L214 WeakPolarHBondContact O-CB 3.27Å; L211-L214 PolarHBondContact O-N 3.17Å; L214-I217 PolarHBondContact O-N 3.27Å; L214-I218 HydrophobicContact CD1-CD1 3.54Å; L214-I218 HydrophobicContact CD1-CG1 4.03Å; L214-I218 HydrophobicContact CG-CD1 3.88Å; L214-I218 WeakPolarHBondContact O-CG1 3.27Å; L214-I218 PolarHBondContact O-N 3.48Å; L214-L325 HydrophobicContact CD2-CD2 3.52Å; L214-I328 HydrophobicContact CD1-CB 4.48Å; L214-I328 HydrophobicContact CD1-CG2 3.65Å; L214-I328 HydrophobicContact CD2-CG2 4.21Å; L214-I329 HydrophobicContact CB-CD1 4.09Å; L214-I329 HydrophobicContact CB-CG1 3.89Å; L214-I329 HydrophobicContact CD1-CG1 3.82Å; L214-I329 HydrophobicContact CG-CG1 4.42Å
215	I	89.8	Confident	87.4	Confident	37 Å²	37	56 Å²	56	19%	0.19	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-39.5	179.5	-66.3	163.9	0	0	0	111.3	L211 Q212 R213 I217 I218 Y219 A223 F227	L211-I215 HydrophobicContact CD1-CD1 4.22Å; L211-I215 HydrophobicContact CG-CD1 4.01Å; L211-I215 WeakPolarHBondContact O-CG1 3.36Å; L211-I215 PolarHBondContact O-N 2.96Å; Q212-I215 PolarHBondContact O-N 3.38Å; R213-I215 VanDerWaalsContact C-N 3.3Å; R213-I215 PolarHBondContact O-N 3.1Å; I215-I217 VanDerWaalsContact C-N 3.28Å; I215-I217 PolarHBondContact O-N 3.24Å; I215-I218 PolarHBondContact O-N 3.03Å; I215-Y219 CarbonylContact O-C 3.59Å; I215-Y219 PolarHBondContact O-N 3.01Å; I215-A223 HydrophobicContact CG2-CB 3.96Å; I215-F227 HydrophobicContact CB-CE2 3.93Å; I215-F227 HydrophobicContact CD1-CE2 3.89Å; I215-F227 HydrophobicContact CD1-CZ 3.68Å; I215-F227 HydrophobicContact CG2-CE2 3.75Å
216	Y	85.7	Confident	87.1	Confident	58 Å²	58	59.9 Å²	59.9	23%	0.227	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-34.9	173.2	-85.4	-67.1	0	0	0	113	V116 Q212 R213 A223 T224 F227	V116-Y216 HydrophobicContact CG2-CD2 4.23Å; V116-Y216 HydrophobicContact CG2-CE2 3.85Å; Q212-Y216 HydrophobicContact CG-CD2 3.84Å; Q212-Y216 HydrophobicContact CG-CE2 3.57Å; Q212-Y216 WeakPolarHBondContact O-CD2 3.46Å; Q212-Y216 PolarHBondContact O-N 3.47Å; R213-Y216 PolarHBondContact O-N 3.49Å; Y216-A223 HydrophobicContact CD1-CB 3.4Å; Y216-A223 VanDerWaalsContact CD1-CB 3.4Å; Y216-A223 HydrophobicContact CE1-CB 3.65Å; Y216-A223 HydrophobicContact CG-CB 3.91Å; Y216-T224 HydrophobicContact CE1-CG2 4.37Å; Y216-F227 HydrophobicContact CE2-CD2 4.14Å
217	I	83.4	Confident	87.1	Confident	27 Å²	27	60 Å²	60	14%	0.138	29%	0.287	C	S	.	.	H	α-helix	trans	-74.6	-41.6	179	-67.3	164.5	0	0	0	111.4	R213 L214 I215 I329 K332 M333 I336	R213-I217 VanDerWaalsContact O-CG1 3.31Å; R213-I217 WeakPolarHBondContact O-CG1 3.46Å; R213-I217 PolarHBondContact O-N 2.8Å; L214-I217 PolarHBondContact O-N 3.27Å; I215-I217 VanDerWaalsContact C-N 3.28Å; I215-I217 PolarHBondContact O-N 3.24Å; I217-I329 HydrophobicContact CD1-CG1 4.42Å; I217-I329 HydrophobicContact CD1-CG2 3.67Å; I217-K332 HydrophobicContact CG2-CB 4.1Å; I217-M333 HydrophobicContact CD1-CE 3.6Å; I217-M333 HydrophobicContact CD1-CG 4.11Å; I217-M333 HydrophobicContact CD1-SD 3.94Å; I217-M333 HydrophobicContact CG1-CE 4.03Å; I217-M333 HydrophobicContact CG1-SD 4.21Å; I217-M333 HydrophobicContact CG2-SD 4.35Å; I217-I336 HydrophobicContact CG2-CD1 3.65Å
218	I	86.7	Confident	87	Confident	62 Å²	62	61.6 Å²	61.6	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-80.9	-42.5	-176.4	-60.3	176.2	0	0	0	111.5	L214 I215 K332	L214-I218 HydrophobicContact CD1-CD1 3.54Å; L214-I218 HydrophobicContact CD1-CG1 4.03Å; L214-I218 HydrophobicContact CG-CD1 3.88Å; L214-I218 WeakPolarHBondContact O-CG1 3.27Å; L214-I218 PolarHBondContact O-N 3.48Å; I215-I218 PolarHBondContact O-N 3.03Å; I218-K332 HydrophobicContact CG1-CG 4.5Å
219	Y	87	Confident	86.8	Confident	143 Å²	143	63.3 Å²	63.3	56%	0.561	31%	0.309	S	S	*	.			trans	-132.8	68.6	-171.4	-57.6	-66.6	0	0	0	112.2	I215 N221 K222 A223	I215-Y219 CarbonylContact O-C 3.59Å; I215-Y219 PolarHBondContact O-N 3.01Å; Y219-N221 VanDerWaalsContact C-N 3.32Å; Y219-N221 PolarHBondContact O-N 3.04Å; Y219-K222 PolarHBondContact O-N 2.71Å; Y219-K222 VanDerWaalsContact O-N 3.12Å; Y219-A223 VanDerWaalsContact O-CB 3.24Å; Y219-A223 WeakPolarHBondContact O-CB 3.3Å; Y219-A223 PolarHBondContact O-N 3.36Å
220	P	83.9	Confident	86.9	Confident	73 Å²	73	68.6 Å²	68.6	47%	0.474	34%	0.336	S	S	.	.	H	α-helix	trans	-56	-42.1	-174.2	21.2	-33.3	0	0	0	113.4	T224	P220-T224 PolarHBondContact O-N 3.38Å
221	N	83.7	Confident	87.2	Confident	145 Å²	145	71.3 Å²	71.3	78%	0.775	35%	0.352	S	S	*	.	H	α-helix	trans	-71.4	-32.6	-178.9	-66.6	-5	0	0	0	113.1	Y219 T224	Y219-N221 VanDerWaalsContact C-N 3.32Å; Y219-N221 PolarHBondContact O-N 3.04Å; N221-T224 PolarHBondContact O-OG1 2.74Å
222	K	86.1	Confident	87.3	Confident	131 Å²	131	67.9 Å²	67.9	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-80.8	-34.4	178.1	-162.3	176.4	-179.6	176.6	0	110.7	Y219 T224 R225 L226	Y219-K222 PolarHBondContact O-N 2.71Å; Y219-K222 VanDerWaalsContact O-N 3.12Å; K222-T224 PolarHBondContact O-N 3.25Å; K222-R225 PolarHBondContact O-N 2.73Å; K222-R225 VanDerWaalsContact O-N 3.17Å; K222-L226 HydrophobicContact CD-CD1 4.28Å; K222-L226 HydrophobicContact CG-CD1 3.88Å; K222-L226 HydrophobicContact CG-CG 4.17Å; K222-L226 WeakPolarHBondContact O-CG 3.45Å; K222-L226 PolarHBondContact O-N 2.74Å
223	A	84.4	Confident	87.4	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-40.2	-177.9	0	0	0	0	0	112.8	I215 Y216 Y219 R225 L226 F227	I215-A223 HydrophobicContact CG2-CB 3.96Å; Y216-A223 HydrophobicContact CD1-CB 3.4Å; Y216-A223 VanDerWaalsContact CD1-CB 3.4Å; Y216-A223 HydrophobicContact CE1-CB 3.65Å; Y216-A223 HydrophobicContact CG-CB 3.91Å; Y219-A223 VanDerWaalsContact O-CB 3.24Å; Y219-A223 WeakPolarHBondContact O-CB 3.3Å; Y219-A223 PolarHBondContact O-N 3.36Å; A223-R225 PolarHBondContact O-N 3.26Å; A223-L226 PolarHBondContact O-N 3.5Å; A223-F227 HydrophobicContact CB-CD2 4.43Å; A223-F227 WeakPolarHBondContact O-CB 3.05Å; A223-F227 PolarHBondContact O-N 3.23Å
224	T	81.2	Confident	87.9	Confident	97 Å²	97	79 Å²	79	60%	0.595	38%	0.384	S	S	*	.	H	α-helix	trans	-64.3	-29.8	175.9	52	0	0	0	0	112.8	Y216 P220 N221 K222	Y216-T224 HydrophobicContact CE1-CG2 4.37Å; P220-T224 PolarHBondContact O-N 3.38Å; N221-T224 PolarHBondContact O-OG1 2.74Å; K222-T224 PolarHBondContact O-N 3.25Å
225	R	84.8	Confident	88.3	Confident	221 Å²	221	80 Å²	80	83%	0.834	39%	0.391	S	S	*	.	H	α-helix	trans	-80.4	-39.3	174.9	-172.1	176.5	177.1	-179.4	-0.7	112.7	K222 A223	K222-R225 PolarHBondContact O-N 2.73Å; K222-R225 VanDerWaalsContact O-N 3.17Å; A223-R225 PolarHBondContact O-N 3.26Å
226	L	87.2	Confident	88.6	Confident	84 Å²	84	79.2 Å²	79.2	44%	0.44	39%	0.388	S	S	.	.	H	α-helix	trans	-71.5	-41	180	-72.1	172.8	0	0	0	112.3	K222 A223 S228	K222-L226 HydrophobicContact CD-CD1 4.28Å; K222-L226 HydrophobicContact CG-CD1 3.88Å; K222-L226 HydrophobicContact CG-CG 4.17Å; K222-L226 WeakPolarHBondContact O-CG 3.45Å; K222-L226 PolarHBondContact O-N 2.74Å; A223-L226 PolarHBondContact O-N 3.5Å; L226-S228 PolarHBondContact O-N 3.03Å
227	F	89.1	Confident	89.1	Confident	20 Å²	20	80.4 Å²	80.4	9%	0.088	40%	0.401	C	S	.	.			trans	-104.8	76.6	-175.8	-60.9	-60.5	0	0	0	111	P115 F208 Q212 I215 Y216 A223 V232	P115-F227 HydrophobicContact CB-CB 4.23Å; P115-F227 WeakPolarHBondContact CG-O 3.33Å; F208-F227 AromaticContact CE2-CE1 3.92Å; F208-F227 HydrophobicContact CE2-CE1 3.92Å; F208-F227 HydrophobicContact CZ-CD1 4.07Å; F208-F227 AromaticContact CZ-CE1 3.68Å; F208-F227 HydrophobicContact CZ-CE1 3.68Å; Q212-F227 HydrophobicContact CB-CE2 4.43Å; Q212-F227 HydrophobicContact CB-CZ 4.37Å; Q212-F227 HydrophobicContact CG-CD1 4.39Å; Q212-F227 HydrophobicContact CG-CD2 3.92Å; Q212-F227 HydrophobicContact CG-CE1 4.44Å; Q212-F227 HydrophobicContact CG-CE2 3.96Å; Q212-F227 HydrophobicContact CG-CG 4.13Å; Q212-F227 HydrophobicContact CG-CZ 4.23Å; I215-F227 HydrophobicContact CB-CE2 3.93Å; I215-F227 HydrophobicContact CD1-CE2 3.89Å; I215-F227 HydrophobicContact CD1-CZ 3.68Å; I215-F227 HydrophobicContact CG2-CE2 3.75Å; Y216-F227 HydrophobicContact CE2-CD2 4.14Å; A223-F227 HydrophobicContact CB-CD2 4.43Å; A223-F227 WeakPolarHBondContact O-CB 3.05Å; A223-F227 PolarHBondContact O-N 3.23Å; F227-V232 HydrophobicContact CB-CG2 4.23Å; F227-V232 HydrophobicContact CD1-CG2 4.26Å
228	S	90.1	Very high	89.7	Confident	47 Å²	47	82.1 Å²	82.1	33%	0.329	42%	0.416	S	S	.	.			trans	-74.2	158	162.9	84.8	0	0	0	0	110.5	L226 L230 T231 V232	L226-S228 PolarHBondContact O-N 3.03Å; S228-L230 PolarHBondContact O-N 2.86Å; S228-L230 PolarHBondContact OG-N 3.45Å; S228-T231 PolarHBondContact O-N 3.44Å; S228-T231 WeakPolarHBondContact OG-CB 3.33Å; S228-T231 PolarHBondContact OG-N 3.36Å; S228-T231 PolarHBondContact OG-OG1 2.83Å; S228-V232 WeakPolarHBondContact O-CG2 3.35Å; S228-V232 PolarHBondContact O-N 3.41Å
229	I	89	Confident	90.2	Very high	66 Å²	66	80.4 Å²	80.4	34%	0.338	41%	0.408	S	S	.	.	H	α-helix	trans	-59.3	-38.3	176.1	-63.4	172.8	0	0	0	110.7	P115 R233	P115-I229 HydrophobicContact CG-CG1 4.45Å; I229-R233 WeakPolarHBondContact O-CG 3.34Å; I229-R233 PolarHBondContact O-N 2.97Å
230	L	91.7	Very high	90.6	Very high	117 Å²	117	76.9 Å²	76.9	61%	0.613	40%	0.399	S	S	*	.	H	α-helix	trans	-66.1	-48.4	178	-179.1	64	0	0	0	111.2	S228 V232 R233 L234	S228-L230 PolarHBondContact O-N 2.86Å; S228-L230 PolarHBondContact OG-N 3.45Å; L230-V232 VanDerWaalsContact C-N 3.28Å; L230-V232 PolarHBondContact O-N 3.42Å; L230-R233 WeakPolarHBondContact O-CB 3.22Å; L230-R233 PolarHBondContact O-N 3.25Å; L230-R233 VanDerWaalsContact O-N 3.13Å; L230-L234 HydrophobicContact CG-CD1 4.35Å; L230-L234 WeakPolarHBondContact O-CG 3.44Å; L230-L234 PolarHBondContact O-N 3.43Å
231	T	92.6	Very high	91.2	Very high	59 Å²	59	78.3 Å²	78.3	36%	0.362	40%	0.402	S	S	.	.	H	α-helix	trans	-57.1	-44.6	177.7	-51.5	0	0	0	0	110.8	S228 R233 L234 V235	S228-T231 PolarHBondContact O-N 3.44Å; S228-T231 WeakPolarHBondContact OG-CB 3.33Å; S228-T231 PolarHBondContact OG-N 3.36Å; S228-T231 PolarHBondContact OG-OG1 2.83Å; T231-R233 PolarHBondContact O-N 2.85Å; T231-L234 PolarHBondContact O-N 3.46Å; T231-V235 WeakPolarHBondContact O-CG2 3.43Å; T231-V235 PolarHBondContact O-N 3.42Å
232	V	93.6	Very high	91.8	Very high	0 Å²	0	75 Å²	75	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-63.5	-41.3	177.7	167.9	0	0	0	0	112.2	P115 T118 V119 F208 F227 S228 L230 L234 V235 C236	P115-V232 HydrophobicContact CB-CG2 3.94Å; T118-V232 HydrophobicContact CG2-CG1 4.07Å; V119-V232 HydrophobicContact CG2-CG1 3.33Å; F208-V232 HydrophobicContact CE1-CG2 4.44Å; F227-V232 HydrophobicContact CB-CG2 4.23Å; F227-V232 HydrophobicContact CD1-CG2 4.26Å; S228-V232 WeakPolarHBondContact O-CG2 3.35Å; S228-V232 PolarHBondContact O-N 3.41Å; L230-V232 VanDerWaalsContact C-N 3.28Å; L230-V232 PolarHBondContact O-N 3.42Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 3.31Å; V232-V235 WeakPolarHBondContact O-CB 3.44Å; V232-V235 PolarHBondContact O-N 3.25Å; V232-C236 PolarHBondContact O-N 2.63Å; V232-C236 PolarHBondContact O-SG 3.23Å; V232-C236 VanDerWaalsContact O-SG 3.38Å
233	R	94	Very high	92.2	Very high	146 Å²	146	69 Å²	69	55%	0.551	36%	0.364	S	S	*	.	H	α-helix	trans	-61.6	-42.6	175	-74.3	174.2	178	-176.4	-3.1	111.9	T118 I229 L230 T231 V235 C236 V237	T118-R233 HydrophobicContact CG2-CG 3.95Å; I229-R233 WeakPolarHBondContact O-CG 3.34Å; I229-R233 PolarHBondContact O-N 2.97Å; L230-R233 WeakPolarHBondContact O-CB 3.22Å; L230-R233 PolarHBondContact O-N 3.25Å; L230-R233 VanDerWaalsContact O-N 3.13Å; T231-R233 PolarHBondContact O-N 2.85Å; R233-V235 VanDerWaalsContact C-N 3.32Å; R233-V235 PolarHBondContact O-N 2.93Å; R233-C236 WeakPolarHBondContact O-CB 3.36Å; R233-C236 PolarHBondContact O-N 2.76Å; R233-V237 WeakPolarHBondContact O-CG2 3.24Å; R233-V237 PolarHBondContact O-N 3.05Å
234	L	95.4	Very high	92.7	Very high	108 Å²	108	71.9 Å²	71.9	57%	0.565	38%	0.379	S	S	*	.	H	α-helix	trans	-62	-40.6	175.3	-68.9	173.9	0	0	0	111.4	L230 T231 V232 V237 S238	L230-L234 HydrophobicContact CG-CD1 4.35Å; L230-L234 WeakPolarHBondContact O-CG 3.44Å; L230-L234 PolarHBondContact O-N 3.43Å; T231-L234 PolarHBondContact O-N 3.46Å; V232-L234 VanDerWaalsContact C-N 3.34Å; V232-L234 PolarHBondContact O-N 3.31Å; L234-V237 PolarHBondContact O-N 2.89Å; L234-S238 VanDerWaalsContact O-CB 3.23Å; L234-S238 WeakPolarHBondContact O-CB 3.38Å; L234-S238 PolarHBondContact O-N 3.42Å
235	V	95.2	Very high	93.3	Very high	39 Å²	39	71.7 Å²	71.7	24%	0.236	38%	0.378	C	S	.	.	H	α-helix	trans	-60.4	-45.3	172.5	172.8	0	0	0	0	110.8	F208 T231 V232 R233 V237 S238 V239	F208-V235 HydrophobicContact CD1-CG1 4.01Å; F208-V235 HydrophobicContact CD2-CG1 3.93Å; F208-V235 HydrophobicContact CE1-CB 4.36Å; F208-V235 HydrophobicContact CE1-CG1 3.88Å; F208-V235 HydrophobicContact CE2-CG1 3.79Å; F208-V235 HydrophobicContact CE2-CG2 4.32Å; F208-V235 HydrophobicContact CG-CG1 4.04Å; F208-V235 HydrophobicContact CZ-CB 4.16Å; F208-V235 HydrophobicContact CZ-CG1 3.77Å; F208-V235 HydrophobicContact CZ-CG2 4.1Å; T231-V235 WeakPolarHBondContact O-CG2 3.43Å; T231-V235 PolarHBondContact O-N 3.42Å; V232-V235 WeakPolarHBondContact O-CB 3.44Å; V232-V235 PolarHBondContact O-N 3.25Å; R233-V235 VanDerWaalsContact C-N 3.32Å; R233-V235 PolarHBondContact O-N 2.93Å; V235-V237 PolarHBondContact O-N 3.36Å; V235-S238 PolarHBondContact O-N 2.85Å; V235-V239 HydrophobicContact CG1-CG2 4.18Å; V235-V239 VanDerWaalsContact O-CG2 3.3Å; V235-V239 WeakPolarHBondContact O-CG2 3.44Å; V235-V239 PolarHBondContact O-N 3.43Å
236	C	95.4	Very high	93.6	Very high	21 Å²	21	63.1 Å²	63.1	14%	0.142	35%	0.348	C	S	.	.	H	α-helix	trans	-59.3	-45.4	178.5	-68.2	0	0	0	0	112.7	L205 V232 R233 V239 L240	L205-C236 HydrophobicContact CD2-CB 4.31Å; V232-C236 PolarHBondContact O-N 2.63Å; V232-C236 PolarHBondContact O-SG 3.23Å; V232-C236 VanDerWaalsContact O-SG 3.38Å; R233-C236 WeakPolarHBondContact O-CB 3.36Å; R233-C236 PolarHBondContact O-N 2.76Å; C236-V239 PolarHBondContact O-N 3.18Å; C236-L240 PolarHBondContact O-N 3.18Å
237	V	95.9	Very high	93.8	Very high	82 Å²	82	59.1 Å²	59.1	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-43.4	176.3	175.3	0	0	0	0	110.8	R233 L234 V235 V239 L240 L241	R233-V237 WeakPolarHBondContact O-CG2 3.24Å; R233-V237 PolarHBondContact O-N 3.05Å; L234-V237 PolarHBondContact O-N 2.89Å; V235-V237 PolarHBondContact O-N 3.36Å; V237-V239 VanDerWaalsContact C-N 3.34Å; V237-V239 PolarHBondContact O-N 3.36Å; V237-L240 PolarHBondContact O-N 2.7Å; V237-L241 HydrophobicContact CG1-CD1 4.06Å; V237-L241 HydrophobicContact CG1-CG 4.38Å; V237-L241 WeakPolarHBondContact O-CG 3.31Å; V237-L241 PolarHBondContact O-N 3.46Å
238	S	96.7	Very high	93.8	Very high	64 Å²	64	62 Å²	62	45%	0.448	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-41.2	178.3	-174.1	0	0	0	0	112.2	L234 V235 L241 C242	L234-S238 VanDerWaalsContact O-CB 3.23Å; L234-S238 WeakPolarHBondContact O-CB 3.38Å; L234-S238 PolarHBondContact O-N 3.42Å; V235-S238 PolarHBondContact O-N 2.85Å; S238-L241 PolarHBondContact O-N 2.78Å; S238-C242 WeakPolarHBondContact O-CB 3.37Å; S238-C242 PolarHBondContact O-N 3.37Å; S238-C242 PolarHBondContact O-SG 2.87Å
239	V	96.9	Very high	93.6	Very high	26 Å²	26	61.4 Å²	61.4	16%	0.158	34%	0.338	C	S	.	.	H	α-helix	trans	-64.7	-42	177.3	171.4	0	0	0	0	110.7	T201 W204 L205 V235 C236 V237 C242 A243	T201-V239 HydrophobicContact CG2-CG1 4.22Å; W204-V239 HydrophobicContact CB-CG1 3.59Å; L205-V239 HydrophobicContact CD2-CB 4.11Å; L205-V239 HydrophobicContact CD2-CG1 4.2Å; L205-V239 HydrophobicContact CD2-CG2 4.2Å; L205-V239 HydrophobicContact CG-CG1 4.23Å; V235-V239 HydrophobicContact CG1-CG2 4.18Å; V235-V239 VanDerWaalsContact O-CG2 3.3Å; V235-V239 WeakPolarHBondContact O-CG2 3.44Å; V235-V239 PolarHBondContact O-N 3.43Å; C236-V239 PolarHBondContact O-N 3.18Å; V237-V239 VanDerWaalsContact C-N 3.34Å; V237-V239 PolarHBondContact O-N 3.36Å; V239-C242 PolarHBondContact O-N 2.85Å; V239-A243 WeakPolarHBondContact O-CB 3.33Å; V239-A243 PolarHBondContact O-N 2.97Å
240	L	96	Very high	93.3	Very high	69 Å²	69	58.8 Å²	58.8	36%	0.361	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-44.4	175.4	178.7	63.8	0	0	0	111.9	V197 T201 C236 V237 A243 L244	V197-L240 HydrophobicContact CG1-CD1 4.16Å; T201-L240 HydrophobicContact CG2-CB 4.16Å; T201-L240 HydrophobicContact CG2-CD1 4.18Å; T201-L240 WeakPolarHBondContact OG1-CD1 3.18Å; C236-L240 PolarHBondContact O-N 3.18Å; V237-L240 PolarHBondContact O-N 2.7Å; L240-A243 PolarHBondContact O-N 3.16Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 3.45Å
241	L	96.5	Very high	93.1	Very high	102 Å²	102	55.4 Å²	55.4	53%	0.534	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-43.3	176.3	-69.2	173.9	0	0	0	111.8	V237 S238 A243 L244 V245	V237-L241 HydrophobicContact CG1-CD1 4.06Å; V237-L241 HydrophobicContact CG1-CG 4.38Å; V237-L241 WeakPolarHBondContact O-CG 3.31Å; V237-L241 PolarHBondContact O-N 3.46Å; S238-L241 PolarHBondContact O-N 2.78Å; L241-A243 VanDerWaalsContact C-N 3.32Å; L241-A243 PolarHBondContact O-N 3.22Å; L241-L244 PolarHBondContact O-N 2.71Å; L241-V245 WeakPolarHBondContact O-CG2 3.48Å; L241-V245 PolarHBondContact O-N 2.83Å
242	C	96	Very high	92.7	Very high	77 Å²	77	56.7 Å²	56.7	52%	0.52	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-39.6	175.5	-67.3	0	0	0	0	111.8	S238 V239 V245 L246	S238-C242 WeakPolarHBondContact O-CB 3.37Å; S238-C242 PolarHBondContact O-N 3.37Å; S238-C242 PolarHBondContact O-SG 2.87Å; V239-C242 PolarHBondContact O-N 2.85Å; C242-V245 PolarHBondContact O-N 3.45Å; C242-L246 WeakPolarHBondContact O-CB 3.26Å; C242-L246 PolarHBondContact O-N 2.83Å
243	A	94.9	Very high	92.2	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-41.8	175.4	0	0	0	0	0	111.7	V197 T200 T201 V239 L240 L241 L246 H247	V197-A243 HydrophobicContact CG1-CB 4.11Å; T200-A243 HydrophobicContact CG2-CB 3.89Å; T201-A243 WeakPolarHBondContact OG1-CB 3.36Å; V239-A243 WeakPolarHBondContact O-CB 3.33Å; V239-A243 PolarHBondContact O-N 2.97Å; L240-A243 PolarHBondContact O-N 3.16Å; L241-A243 VanDerWaalsContact C-N 3.32Å; L241-A243 PolarHBondContact O-N 3.22Å; A243-L246 PolarHBondContact O-N 3.23Å; A243-H247 PolarHBondContact O-CD2 3.28Å; A243-H247 PolarHBondContact O-N 2.97Å
244	L	94.3	Very high	91.9	Very high	60 Å²	60	52.7 Å²	52.7	31%	0.314	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-46.4	173.9	-74.4	167.3	0	0	0	111.6	V197 L240 L241 L246 H247 I248 F251	V197-L244 HydrophobicContact CG1-CD2 3.79Å; V197-L244 HydrophobicContact CG1-CG 3.98Å; V197-L244 HydrophobicContact CG2-CD2 4.14Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 3.45Å; L241-L244 PolarHBondContact O-N 2.71Å; L244-L246 PolarHBondContact O-N 3.08Å; L244-H247 PolarHBondContact O-N 3.17Å; L244-I248 PolarHBondContact O-N 3.23Å; L244-F251 HydrophobicContact CD2-CE2 4.17Å; L244-F251 HydrophobicContact CD2-CZ 4.1Å; L244-F251 WeakPolarHBondContact O-CE2 3.42Å
245	V	93.5	Very high	91.5	Very high	94 Å²	94	48.5 Å²	48.5	57%	0.57	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-44.2	178.4	172	0	0	0	0	111.5	L241 C242 H247 I248	L241-V245 WeakPolarHBondContact O-CG2 3.48Å; L241-V245 PolarHBondContact O-N 2.83Å; C242-V245 PolarHBondContact O-N 3.45Å; V245-H247 PolarHBondContact O-N 3.17Å; V245-I248 HydrophobicContact CB-CD1 4.27Å; V245-I248 HydrophobicContact CG1-CD1 4.17Å; V245-I248 HydrophobicContact CG2-CD1 4.34Å; V245-I248 WeakPolarHBondContact O-CB 3.49Å; V245-I248 WeakPolarHBondContact O-CG1 3.25Å; V245-I248 PolarHBondContact O-N 3.46Å; V245-I248 VanDerWaalsContact O-N 3.17Å
246	L	91.8	Very high	91.1	Very high	41 Å²	41	46.8 Å²	46.8	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-32.5	178	-177.8	63.7	0	0	0	112.6	T200 C242 A243 L244 T309 L313 I314	T200-L246 HydrophobicContact CG2-CD2 4.34Å; C242-L246 WeakPolarHBondContact O-CB 3.26Å; C242-L246 PolarHBondContact O-N 2.83Å; A243-L246 PolarHBondContact O-N 3.23Å; L244-L246 PolarHBondContact O-N 3.08Å; L246-T309 HydrophobicContact CD1-CG2 3.77Å; L246-L313 HydrophobicContact CD1-CD1 4.05Å; L246-I314 HydrophobicContact CD2-CD1 3.8Å; L246-I314 HydrophobicContact CD2-CG1 3.83Å
247	H	91.3	Very high	90.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	4.1	-178.5	-69.6	-62	0	0	0	114.3	T196 V197 T200 A243 L244 V245 P249 M250 F251 Y306 I314	T196-H247 VanDerWaalsContact CG2-CE1 3.47Å; T196-H247 WeakPolarHBondContact CG2-CE1 3.4Å; V197-H247 HydrophobicContact CG2-CB 4.13Å; T200-H247 PolarHBondContact OG1-NE2 2.9Å; A243-H247 PolarHBondContact O-CD2 3.28Å; A243-H247 PolarHBondContact O-N 2.97Å; L244-H247 PolarHBondContact O-N 3.17Å; V245-H247 PolarHBondContact O-N 3.17Å; H247-P249 VanDerWaalsContact C-CD 3.48Å; H247-M250 WeakPolarHBondContact O-CA 3.49Å; H247-M250 VanDerWaalsContact O-CB 3.25Å; H247-M250 WeakPolarHBondContact O-CB 3.32Å; H247-M250 PolarHBondContact O-N 3.29Å; H247-F251 HydrophobicContact CB-CE1 3.96Å; H247-F251 HydrophobicContact CB-CE2 4.2Å; H247-F251 HydrophobicContact CB-CZ 3.62Å; H247-F251 PolarHBondContact O-N 2.7Å; H247-Y306 AromaticContact ND1-CE2 3.7Å; H247-Y306 AromaticContact ND1-CZ 3.73Å; H247-Y306 PolarHBondContact ND1-OH 2.58Å; H247-I314 WeakPolarHBondContact CE1-CD1 3.34Å; H247-I314 WeakPolarHBondContact NE2-CD1 3.37Å
248	I	89.2	Confident	90.3	Very high	79 Å²	79	45.7 Å²	45.7	41%	0.405	25%	0.252	S	S	.	.	H	α-helix	trans	-50.8	-46.7	177	-72.5	170.3	0	0	0	113.4	L244 V245 M250 F251 Q252	L244-I248 PolarHBondContact O-N 3.23Å; V245-I248 HydrophobicContact CB-CD1 4.27Å; V245-I248 HydrophobicContact CG1-CD1 4.17Å; V245-I248 HydrophobicContact CG2-CD1 4.34Å; V245-I248 WeakPolarHBondContact O-CB 3.49Å; V245-I248 WeakPolarHBondContact O-CG1 3.25Å; V245-I248 PolarHBondContact O-N 3.46Å; V245-I248 VanDerWaalsContact O-N 3.17Å; I248-M250 PolarHBondContact O-N 3.08Å; I248-M250 VanDerWaalsContact O-N 3.11Å; I248-F251 HydrophobicContact CG1-CD2 4.45Å; I248-F251 WeakPolarHBondContact O-CB 2.97Å; I248-F251 PolarHBondContact O-N 3.4Å; I248-Q252 PolarHBondContact O-N 3.25Å
249	P	85.4	Confident	89.9	Confident	35 Å²	35	42.7 Å²	42.7	23%	0.227	23%	0.23	C	C	.	.	H	α-helix	trans	-56.2	-34	179.5	-26.1	35.3	0	0	0	112.3	H247 Q252 M303 Y306	H247-P249 VanDerWaalsContact C-CD 3.48Å; P249-Q252 PolarHBondContact O-N 2.98Å; P249-M303 WeakPolarHBondContact O-CE 3.42Å; P249-Y306 HydrophobicContact CB-CD2 4.16Å; P249-Y306 HydrophobicContact CB-CG 4.14Å; P249-Y306 HydrophobicContact CG-CD2 4.14Å; P249-Y306 HydrophobicContact CG-CG 4.5Å
250	M	83.8	Confident	89.3	Confident	12 Å²	12	41.4 Å²	41.4	6%	0.059	22%	0.223	C	C	.	.	H	α-helix	trans	-71.1	-34.1	177.9	-168.3	176.3	179	0	0	112.5	V192 F193 H247 I248 Q252 S253 Y306	V192-M250 HydrophobicContact CB-CE 4.32Å; V192-M250 HydrophobicContact CG1-CE 3.39Å; F193-M250 HydrophobicContact CD1-CE 3.31Å; F193-M250 HydrophobicContact CD1-CG 3.55Å; F193-M250 HydrophobicContact CD1-SD 3.8Å; F193-M250 HydrophobicContact CE1-CE 3.55Å; F193-M250 HydrophobicContact CE1-CG 3.56Å; F193-M250 HydrophobicContact CE1-SD 4.23Å; H247-M250 WeakPolarHBondContact O-CA 3.49Å; H247-M250 VanDerWaalsContact O-CB 3.25Å; H247-M250 WeakPolarHBondContact O-CB 3.32Å; H247-M250 PolarHBondContact O-N 3.29Å; I248-M250 PolarHBondContact O-N 3.08Å; I248-M250 VanDerWaalsContact O-N 3.11Å; M250-Q252 VanDerWaalsContact C-N 3.26Å; M250-Q252 PolarHBondContact O-N 2.79Å; M250-S253 PolarHBondContact O-N 3.24Å; M250-S253 PolarHBondContact O-OG 2.91Å; M250-Y306 HydrophobicContact CB-CE1 4.09Å; M250-Y306 HydrophobicContact CB-CE2 4.43Å; M250-Y306 HydrophobicContact CG-CE1 4.45Å; M250-Y306 HydrophobicContact SD-CE1 4.4Å; M250-Y306 PolarHBondContact SD-OH 3.17Å
251	F	87	Confident	88.7	Confident	45 Å²	45	38.1 Å²	38.1	20%	0.197	21%	0.206	C	C	.	.	H	α-helix	trans	-72	-19.9	178.6	-54.2	-28.1	0	0	0	113.2	W189 F193 V197 L244 H247 I248 S253	W189-F251 HydrophobicContact CH2-CB 3.92Å; W189-F251 AromaticContact CH2-CD1 3.63Å; W189-F251 HydrophobicContact CH2-CD1 3.63Å; W189-F251 HydrophobicContact CH2-CD2 4.29Å; W189-F251 HydrophobicContact CH2-CE1 4.24Å; W189-F251 AromaticContact CH2-CG 3.68Å; W189-F251 HydrophobicContact CH2-CG 3.68Å; W189-F251 HydrophobicContact CZ2-CB 4.26Å; W189-F251 HydrophobicContact CZ2-CD1 4.43Å; W189-F251 HydrophobicContact CZ2-CG 4.47Å; W189-F251 AromaticContact CZ3-CD1 3.83Å; W189-F251 HydrophobicContact CZ3-CD1 3.83Å; W189-F251 HydrophobicContact CZ3-CE1 4Å; W189-F251 HydrophobicContact CZ3-CG 4.28Å; F193-F251 HydrophobicContact CB-CD1 4.18Å; F193-F251 HydrophobicContact CB-CE1 4Å; F193-F251 HydrophobicContact CG-CD1 4.38Å; V197-F251 HydrophobicContact CG2-CE1 4.13Å; V197-F251 HydrophobicContact CG2-CZ 3.67Å; L244-F251 HydrophobicContact CD2-CE2 4.17Å; L244-F251 HydrophobicContact CD2-CZ 4.1Å; L244-F251 WeakPolarHBondContact O-CE2 3.42Å; H247-F251 HydrophobicContact CB-CE1 3.96Å; H247-F251 HydrophobicContact CB-CE2 4.2Å; H247-F251 HydrophobicContact CB-CZ 3.62Å; H247-F251 PolarHBondContact O-N 2.7Å; I248-F251 HydrophobicContact CG1-CD2 4.45Å; I248-F251 WeakPolarHBondContact O-CB 2.97Å; I248-F251 PolarHBondContact O-N 3.4Å; F251-S253 PolarHBondContact O-N 2.94Å; F251-S253 VanDerWaalsContact O-N 3.09Å
252	Q	84.5	Confident	88.1	Confident	87 Å²	87	34.3 Å²	34.3	41%	0.407	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	8.4	175.6	-68.6	-177.1	-48.9	0	0	113.8	I248 P249 M250 T297	I248-Q252 PolarHBondContact O-N 3.25Å; P249-Q252 PolarHBondContact O-N 2.98Å; M250-Q252 VanDerWaalsContact C-N 3.26Å; M250-Q252 PolarHBondContact O-N 2.79Å; Q252-T297 PolarHBondContact O-N 3.37Å; Q252-T297 PolarHBondContact O-OG1 3.27Å
253	S	83.7	Confident	87.3	Confident	9 Å²	9	30.8 Å²	30.8	6%	0.063	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127	172.9	66.9	0	0	0	0	111.8	F193 M250 F251 C295	F193-S253 WeakPolarHBondContact CZ-OG 3.3Å; M250-S253 PolarHBondContact O-N 3.24Å; M250-S253 PolarHBondContact O-OG 2.91Å; F251-S253 PolarHBondContact O-N 2.94Å; F251-S253 VanDerWaalsContact O-N 3.09Å; S253-C295 CarbonylContact C-O 3.57Å; S253-C295 WeakPolarHBondContact CA-O 3.48Å
254	T	85.8	Confident	86.6	Confident	52 Å²	52	32 Å²	32	32%	0.319	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	153.8	175.3	55.5	0	0	0	0	110.6	I24 C295 T297	I24-T254 WeakPolarHBondContact CD1-OG1 3.44Å; T254-C295 PolarHBondContact N-O 3.44Å; T254-C295 PolarHBondContact O-N 2.92Å; T254-T297 HydrophobicContact CG2-CG2 4.24Å
255	F	87.2	Confident	85.8	Confident	20 Å²	20	34.9 Å²	34.9	9%	0.088	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	109	177.6	-67.6	-87.5	0	0	0	108.3	Y69 P181 A188 F193 V292 M293 K294	Y69-F255 AromaticContact CD1-CD1 3.98Å; Y69-F255 HydrophobicContact CD1-CD1 3.98Å; Y69-F255 AromaticContact CD1-CE1 3.75Å; Y69-F255 HydrophobicContact CD1-CE1 3.75Å; Y69-F255 AromaticContact CD2-CE1 3.7Å; Y69-F255 HydrophobicContact CD2-CE1 3.7Å; Y69-F255 HydrophobicContact CE1-CD1 4.23Å; Y69-F255 AromaticContact CE1-CE1 3.74Å; Y69-F255 HydrophobicContact CE1-CE1 3.74Å; Y69-F255 AromaticContact CE2-CE1 3.69Å; Y69-F255 HydrophobicContact CE2-CE1 3.69Å; Y69-F255 HydrophobicContact CE2-CZ 4.26Å; Y69-F255 HydrophobicContact CG-CD1 4.12Å; Y69-F255 AromaticContact CG-CE1 3.71Å; Y69-F255 HydrophobicContact CG-CE1 3.71Å; Y69-F255 AromaticContact CZ-CE1 3.69Å; P181-F255 HydrophobicContact CB-CB 4.2Å; P181-F255 WeakPolarHBondContact CB-O 3.46Å; A188-F255 HydrophobicContact CB-CE1 4.25Å; A188-F255 HydrophobicContact CB-CE2 3.8Å; A188-F255 HydrophobicContact CB-CZ 3.3Å; F193-F255 HydrophobicContact CE2-CE2 4.37Å; F255-V292 HydrophobicContact CB-CG1 3.97Å; F255-V292 HydrophobicContact CD1-CG1 4.1Å; F255-M293 WeakPolarHBondContact CA-O 3.41Å; F255-K294 HydrophobicContact CD1-CB 4.21Å; F255-K294 HydrophobicContact CE1-CB 3.82Å; F255-K294 HydrophobicContact CE1-CD 4.3Å; F255-K294 HydrophobicContact CE1-CG 3.92Å; F255-K294 HydrophobicContact CZ-CB 4.49Å; F255-K294 HydrophobicContact CZ-CD 4.28Å; F255-K294 HydrophobicContact CZ-CG 4.08Å
256	V	87.1	Confident	84.8	Confident	3 Å²	3	34.2 Å²	34.2	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.4	-172.9	178.4	0	0	0	0	110.1	E20 I24 F258 M293	E20-V256 HydrophobicContact CB-CG1 4.46Å; E20-V256 HydrophobicContact CB-CG2 4.2Å; I24-V256 HydrophobicContact CD1-CB 3.92Å; I24-V256 HydrophobicContact CD1-CG1 4.34Å; I24-V256 HydrophobicContact CD1-CG2 3.29Å; V256-F258 HydrophobicContact CB-CE2 3.87Å; V256-F258 HydrophobicContact CB-CZ 4.49Å; V256-F258 HydrophobicContact CG1-CD2 4.31Å; V256-F258 HydrophobicContact CG1-CE2 3.72Å; V256-F258 HydrophobicContact CG1-CZ 3.97Å; V256-M293 PolarHBondContact N-O 3.49Å; V256-M293 PolarHBondContact O-N 3.36Å
257	K	87.7	Confident	84	Confident	81 Å²	81	33.2 Å²	33.2	35%	0.352	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	134.3	179.8	-64.9	177.3	-177.9	176.8	0	109.3	P181 Y290 V292	P181-K257 HydrophobicContact CG-CD 4.43Å; P181-K257 HydrophobicContact CG-CG 4.2Å; K257-Y290 HydrophobicContact CB-CD1 4.25Å; K257-Y290 HydrophobicContact CD-CD1 4.47Å; K257-V292 HydrophobicContact CG-CG2 4.25Å
258	F	88.1	Confident	83	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.5	173.4	-72.2	-81	0	0	0	110.4	Y14 G15 F16 I24 V57 L62 V256 P260 V291 M293	Y14-F258 HydrophobicContact CD1-CB 3.73Å; Y14-F258 HydrophobicContact CG-CB 4.26Å; G15-F258 CarbonylContact O-C 3.57Å; G15-F258 VanDerWaalsContact O-CA 3.3Å; G15-F258 WeakPolarHBondContact O-CA 2.88Å; G15-F258 WeakPolarHBondContact O-CD1 3.33Å; F16-F258 HydrophobicContact CB-CD1 4.17Å; F16-F258 HydrophobicContact CB-CE1 4.15Å; F16-F258 HydrophobicContact CD1-CE1 4.32Å; I24-F258 HydrophobicContact CB-CZ 4.47Å; I24-F258 HydrophobicContact CG2-CZ 4.18Å; V57-F258 HydrophobicContact CG1-CE1 4.37Å; L62-F258 HydrophobicContact CD1-CE1 4.03Å; L62-F258 HydrophobicContact CD1-CE2 4.17Å; L62-F258 HydrophobicContact CD1-CZ 3.69Å; L62-F258 HydrophobicContact CD2-CD1 3.79Å; L62-F258 HydrophobicContact CD2-CD2 4.03Å; L62-F258 HydrophobicContact CD2-CE1 3.86Å; L62-F258 HydrophobicContact CD2-CE2 4.09Å; L62-F258 HydrophobicContact CD2-CG 3.88Å; L62-F258 HydrophobicContact CD2-CZ 4.01Å; L62-F258 HydrophobicContact CG-CZ 4.48Å; V256-F258 HydrophobicContact CB-CE2 3.87Å; V256-F258 HydrophobicContact CB-CZ 4.49Å; V256-F258 HydrophobicContact CG1-CD2 4.31Å; V256-F258 HydrophobicContact CG1-CE2 3.72Å; V256-F258 HydrophobicContact CG1-CZ 3.97Å; F258-P260 WeakPolarHBondContact O-CD 3.39Å; F258-V291 PolarHBondContact N-O 2.95Å; F258-V291 PolarHBondContact O-N 3.48Å; F258-M293 HydrophobicContact CB-SD 4.22Å; F258-M293 HydrophobicContact CD2-CB 4.01Å; F258-M293 HydrophobicContact CD2-CG 4Å; F258-M293 HydrophobicContact CD2-SD 3.88Å; F258-M293 HydrophobicContact CE2-CB 4.45Å; F258-M293 HydrophobicContact CG-SD 4.25Å
259	Q	87.3	Confident	81.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.1	177	-64.4	96.2	-42.3	0	0	109.9	Y14 G15 L285 L288 Y290	Y14-Q259 CarbonylContact C-O 3.51Å; Y14-Q259 WeakPolarHBondContact CA-O 3.44Å; G15-Q259 VanDerWaalsContact C-OE1 3.28Å; G15-Q259 PolarHBondContact N-O 3.31Å; G15-Q259 PolarHBondContact O-N 3.39Å; G15-Q259 PolarHBondContact O-OE1 3.33Å; Q259-L285 HydrophobicContact CB-CD2 3.82Å; Q259-L285 HydrophobicContact CG-CD2 4.39Å; Q259-L285 PolarHBondContact NE2-O 3.4Å; Q259-L288 HydrophobicContact CB-CB 4.08Å; Q259-L288 HydrophobicContact CG-CB 4.13Å; Q259-Y290 VanDerWaalsContact CD-CD1 3.46Å; Q259-Y290 VanDerWaalsContact CD-CE1 3.43Å; Q259-Y290 HydrophobicContact CG-CD1 3.68Å; Q259-Y290 HydrophobicContact CG-CE1 3.92Å; Q259-Y290 HydrophobicContact CG-CG 4.19Å
260	P	84.7	Confident	80.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	136.1	-179.4	32	-37.4	0	0	0	111.1	L12 F13 Y14 A170 I174 Y175 F258 V291	L12-P260 HydrophobicContact CD1-CB 4.27Å; F13-P260 CarbonylContact O-C 3.58Å; F13-P260 WeakPolarHBondContact O-CA 3.46Å; Y14-P260 HydrophobicContact CD1-CB 3.91Å; Y14-P260 HydrophobicContact CE1-CB 3.65Å; A170-P260 HydrophobicContact CB-CB 3.71Å; A170-P260 HydrophobicContact CB-CG 4.05Å; I174-P260 HydrophobicContact CG2-CB 3.78Å; I174-P260 HydrophobicContact CG2-CG 3.81Å; Y175-P260 HydrophobicContact CD1-CG 3.83Å; Y175-P260 HydrophobicContact CE1-CG 3.19Å; Y175-P260 PolarHBondContact OH-O 3.27Å; Y175-P260 VanDerWaalsContact OH-O 3.11Å; F258-P260 WeakPolarHBondContact O-CD 3.39Å; P260-V291 HydrophobicContact CG-CG2 3.77Å
261	L	84.2	Confident	79.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	153	176.9	60.1	89.4	0	0	0	111.1	F13 L56 L263 L285 L288	F13-L261 HydrophobicContact CB-CD1 3.9Å; F13-L261 HydrophobicContact CB-CG 4.44Å; F13-L261 PolarHBondContact N-O 3.14Å; F13-L261 PolarHBondContact O-N 3.21Å; F13-L261 VanDerWaalsContact O-O 3.05Å; L56-L261 HydrophobicContact CD2-CD2 3.68Å; L261-L263 HydrophobicContact CD1-CD1 3.97Å; L261-L263 HydrophobicContact CD1-CD2 4.37Å; L261-L263 HydrophobicContact CD1-CG 3.56Å; L261-L285 HydrophobicContact CD2-CD2 3.76Å; L261-L288 HydrophobicContact CB-CD1 4.44Å; L261-L288 HydrophobicContact CD2-CD1 4.09Å
262	L	82.1	Confident	77.5	Confident	21 Å²	21	50.1 Å²	50.1	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.4	177	-74	174.5	0	0	0	109.3	Y10 H11 L12 W167 K168	Y10-L262 HydrophobicContact CD1-CB 4.16Å; Y10-L262 HydrophobicContact CG-CB 4.47Å; H11-L262 CarbonylContact O-C 3.54Å; H11-L262 WeakPolarHBondContact O-CA 3.04Å; L12-L262 HydrophobicContact CB-CD2 4.17Å; L12-L262 HydrophobicContact CD1-CD2 4.18Å; W167-L262 CarbonylContact C-O 3.54Å; W167-L262 WeakPolarHBondContact CA-O 3.44Å; W167-L262 WeakPolarHBondContact CB-O 3.32Å; K168-L262 HydrophobicContact CB-CB 4.26Å; K168-L262 PolarHBondContact N-O 2.89Å; K168-L262 PolarHBondContact O-N 3.05Å
263	L	79.3	Confident	75.9	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.1	175.4	-87.9	167.2	0	0	0	111.6	Y10 H11 F13 F42 L56 W167 L261 V267	Y10-L263 CarbonylContact C-O 3.35Å; Y10-L263 VanDerWaalsContact CA-O 3.31Å; Y10-L263 WeakPolarHBondContact CA-O 3.07Å; H11-L263 PolarHBondContact N-O 3.25Å; H11-L263 PolarHBondContact O-N 3.4Å; F13-L263 HydrophobicContact CB-CD1 3.88Å; F13-L263 HydrophobicContact CD1-CD1 3.85Å; F13-L263 HydrophobicContact CD2-CB 3.82Å; F13-L263 HydrophobicContact CD2-CD1 3.63Å; F13-L263 HydrophobicContact CD2-CG 4.22Å; F13-L263 HydrophobicContact CE1-CD1 4.31Å; F13-L263 HydrophobicContact CE2-CB 4.2Å; F13-L263 HydrophobicContact CE2-CD1 4.11Å; F13-L263 HydrophobicContact CG-CB 4.47Å; F13-L263 HydrophobicContact CG-CD1 3.5Å; F13-L263 HydrophobicContact CG-CG 4.4Å; F13-L263 HydrophobicContact CZ-CD1 4.43Å; F42-L263 HydrophobicContact CE2-CD1 4.35Å; L56-L263 HydrophobicContact CD1-CD1 3.73Å; W167-L263 HydrophobicContact CB-CD2 4.2Å; L261-L263 HydrophobicContact CD1-CD1 3.97Å; L261-L263 HydrophobicContact CD1-CD2 4.37Å; L261-L263 HydrophobicContact CD1-CG 3.56Å; L263-V267 HydrophobicContact CD2-CB 4.39Å; L263-V267 HydrophobicContact CD2-CG1 4.12Å
264	H	80.2	Confident	74.6	Confident	30 Å²	30	49.3 Å²	49.3	14%	0.139	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	140.8	177.1	-169.9	60.1	0	0	0	111.8	N9 Y10 W166 N266 V267	N9-H264 CarbonylContact O-C 3.41Å; N9-H264 WeakPolarHBondContact O-CA 3.47Å; N9-H264 PolarHBondContact O-ND1 2.9Å; Y10-H264 HydrophobicContact CD1-CB 4.12Å; Y10-H264 HydrophobicContact CE1-CB 3.74Å; Y10-H264 AromaticContact CZ-ND1 3.83Å; W166-H264 VanDerWaalsContact O-CB 3.25Å; W166-H264 WeakPolarHBondContact O-CB 3.25Å; W166-H264 PolarHBondContact O-N 3.47Å; H264-N266 PolarHBondContact NE2-ND2 3.37Å; H264-N266 VanDerWaalsContact NE2-ND2 3.17Å; H264-N266 PolarHBondContact O-N 3.47Å; H264-N266 VanDerWaalsContact O-N 3.07Å; H264-V267 HydrophobicContact CB-CG2 4.48Å; H264-V267 WeakPolarHBondContact O-CB 3.33Å; H264-V267 PolarHBondContact O-N 3.32Å
265	R	78.2	Confident	73	Confident	120 Å²	120	53.4 Å²	53.4	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-51.9	-35.3	-175.9	-176.6	176.2	175.4	-175.1	-0.5	114	N9 V267 I268 L269	N9-R265 WeakPolarHBondContact O-CB 3.45Å; N9-R265 PolarHBondContact O-N 2.99Å; R265-V267 VanDerWaalsContact C-N 3.28Å; R265-V267 PolarHBondContact O-N 3.03Å; R265-I268 PolarHBondContact O-N 2.86Å; R265-I268 VanDerWaalsContact O-N 3.17Å; R265-L269 HydrophobicContact CG-CD1 4.23Å; R265-L269 PolarHBondContact O-N 3.33Å
266	N	73.5	Confident	71.3	Confident	79 Å²	79	57.7 Å²	57.7	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-65	-29.1	179.2	-69.9	-27.7	0	0	0	113.5	W166 H264 I268 R270	W166-N266 HydrophobicContact CZ3-CB 4.06Å; H264-N266 PolarHBondContact NE2-ND2 3.37Å; H264-N266 VanDerWaalsContact NE2-ND2 3.17Å; H264-N266 PolarHBondContact O-N 3.47Å; H264-N266 VanDerWaalsContact O-N 3.07Å; N266-I268 VanDerWaalsContact C-N 3.28Å; N266-R270 PolarHBondContact O-N 3.33Å
267	V	74.1	Confident	70	Confident	20 Å²	20	65.3 Å²	65.3	12%	0.121	31%	0.305	C	S	.	.	H	α-helix	trans	-70.6	-29.1	176.7	-175.7	0	0	0	0	111.2	F42 W166 L263 H264 R265	F42-V267 HydrophobicContact CZ-CG1 4.47Å; W166-V267 HydrophobicContact CB-CG2 4.07Å; W166-V267 HydrophobicContact CD2-CG2 4.44Å; W166-V267 HydrophobicContact CE3-CG2 3.82Å; L263-V267 HydrophobicContact CD2-CB 4.39Å; L263-V267 HydrophobicContact CD2-CG1 4.12Å; H264-V267 HydrophobicContact CB-CG2 4.48Å; H264-V267 WeakPolarHBondContact O-CB 3.33Å; H264-V267 PolarHBondContact O-N 3.32Å; R265-V267 VanDerWaalsContact C-N 3.28Å; R265-V267 PolarHBondContact O-N 3.03Å
268	I	71	Confident	68.6	Low	6 Å²	6	62.9 Å²	62.9	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-83.7	-38.2	-174.9	-59.6	163	0	0	0	111.5	H11 F13 K38 K39 R265 N266	H11-I268 HydrophobicContact CB-CD1 3.63Å; H11-I268 WeakPolarHBondContact CD2-CD1 3.41Å; F13-I268 HydrophobicContact CE2-CD1 3.51Å; F13-I268 HydrophobicContact CE2-CG1 3.89Å; F13-I268 HydrophobicContact CZ-CD1 3.99Å; F13-I268 HydrophobicContact CZ-CG1 3.93Å; K38-I268 HydrophobicContact CB-CG2 3.73Å; K38-I268 HydrophobicContact CD-CG2 4.34Å; K38-I268 HydrophobicContact CG-CG2 3.97Å; K39-I268 PolarHBondContact N-O 3.34Å; K39-I268 VanDerWaalsContact N-O 3.08Å; R265-I268 PolarHBondContact O-N 2.86Å; R265-I268 VanDerWaalsContact O-N 3.17Å; N266-I268 VanDerWaalsContact C-N 3.28Å
269	L	64.2	Low	67.3	Low	86 Å²	86	66.2 Å²	66.2	45%	0.45	31%	0.312	S	S	.	.	H	α-helix	trans	-83.5	-42.5	-174.8	-116.4	94.3	0	0	0	113.2	K38 R265	K38-L269 HydrophobicContact CG-CD1 4.39Å; R265-L269 HydrophobicContact CG-CD1 4.23Å; R265-L269 PolarHBondContact O-N 3.33Å
270	R	57.7	Low	66.4	Low	161 Å²	161	69.4 Å²	69.4	61%	0.608	33%	0.334	S	S	*	.	S	Bend	trans	-82	131.1	179.9	-72.1	-173.4	176.4	-170.6	-2	107.3	N266 Y272	N266-R270 PolarHBondContact O-N 3.33Å; R270-Y272 HydrophobicContact CB-CD2 3.63Å; R270-Y272 HydrophobicContact CB-CE2 4.19Å; R270-Y272 PolarHBondContact O-N 2.87Å
271	N	54.1	Low	65.9	Low	136 Å²	136	70 Å²	70	73%	0.727	34%	0.337	S	S	*	.			trans	-67.5	33.1	175.7	-148.4	14.7	0	0	0	112.4	K39 S273	K39-N271 WeakPolarHBondContact CE-OD1 3.22Å; K39-N271 PolarHBondContact NZ-OD1 3.13Å; K39-N271 VanDerWaalsContact NZ-OD1 3.07Å; N271-S273 PolarHBondContact O-N 3.06Å
272	Y	53.4	Low	65.3	Low	137 Å²	137	70.8 Å²	70.8	54%	0.537	34%	0.341	S	S	.	.			trans	-52.6	110.8	160.1	-85.7	-76.8	0	0	0	105.5	K39 R270	K39-Y272 PolarHBondContact NZ-O 2.93Å; R270-Y272 HydrophobicContact CB-CD2 3.63Å; R270-Y272 HydrophobicContact CB-CE2 4.19Å; R270-Y272 PolarHBondContact O-N 2.87Å
273	S	51.6	Low	64.9	Low	56 Å²	56	73.6 Å²	73.6	39%	0.392	35%	0.353	S	S	.	.			trans	-45.4	144.3	144.7	39.7	0	0	0	0	105.9	N271 D275	N271-S273 PolarHBondContact O-N 3.06Å; S273-D275 PolarHBondContact O-N 2.86Å; S273-D275 PolarHBondContact OG-OD2 3.3Å
274	I	55	Low	64.6	Low	24 Å²	24	74.4 Å²	74.4	12%	0.123	36%	0.36	C	S	.	.	S	Bend	trans	-71.5	61.8	165.7	-53.5	174.5	0	0	0	106.7	F42 F44 L56 F276 L281	F42-I274 HydrophobicContact CB-CD1 3.75Å; F42-I274 HydrophobicContact CD1-CD1 3.55Å; F42-I274 HydrophobicContact CD1-CG1 3.87Å; F42-I274 HydrophobicContact CE1-CD1 4.3Å; F42-I274 HydrophobicContact CE1-CG1 4.36Å; F42-I274 HydrophobicContact CG-CD1 3.82Å; F44-I274 HydrophobicContact CE1-CD1 3.88Å; L56-I274 HydrophobicContact CD1-CD1 4.3Å; I274-F276 HydrophobicContact CG2-CB 3.75Å; I274-F276 PolarHBondContact O-N 2.91Å; I274-L281 HydrophobicContact CD1-CD2 4.38Å; I274-L281 HydrophobicContact CG2-CD2 4.42Å
275	D	51.7	Low	64.6	Low	137 Å²	137	73 Å²	73	73%	0.733	35%	0.354	S	S	*	.			trans	-68.5	2.5	154.4	-82.3	-44.2	0	0	0	110.6	S273 K277	S273-D275 PolarHBondContact O-N 2.86Å; S273-D275 PolarHBondContact OG-OD2 3.3Å; D275-K277 PolarHBondContact O-N 3.48Å
276	F	53.1	Low	64.6	Low	111 Å²	111	70.5 Å²	70.5	49%	0.487	35%	0.35	S	S	.	.	S	Bend	trans	-64.3	71.2	164.4	-120.7	-76.3	0	0	0	110.4	W166 I274 Q278	W166-F276 AromaticContact CD1-CE1 3.44Å; W166-F276 VanDerWaalsContact CD1-CE1 3.44Å; W166-F276 AromaticContact CD1-CZ 3.32Å; W166-F276 HydrophobicContact CD2-CE2 4.37Å; W166-F276 HydrophobicContact CD2-CZ 4.24Å; W166-F276 AromaticContact CE2-CE2 3.97Å; W166-F276 AromaticContact CE2-CZ 3.62Å; W166-F276 HydrophobicContact CG-CE1 4.32Å; W166-F276 HydrophobicContact CG-CE2 4.44Å; W166-F276 HydrophobicContact CG-CZ 4.07Å; W166-F276 HydrophobicContact CZ2-CE2 4.4Å; W166-F276 HydrophobicContact CZ2-CZ 4.26Å; W166-F276 AromaticContact NE1-CE1 3.6Å; W166-F276 AromaticContact NE1-CE2 3.83Å; W166-F276 AromaticContact NE1-CZ 3.03Å; I274-F276 HydrophobicContact CG2-CB 3.75Å; I274-F276 PolarHBondContact O-N 2.91Å; F276-Q278 VanDerWaalsContact C-N 3.32Å; F276-Q278 PolarHBondContact O-N 3.15Å; F276-Q278 VanDerWaalsContact O-N 3.08Å
277	K	58.6	Low	64.7	Low	163 Å²	163	75.8 Å²	75.8	71%	0.709	37%	0.365	S	S	*	.			trans	21.1	76.2	-171.1	-91.7	-173.6	176.1	179.9	0	109.3	D275 I279 S280	D275-K277 PolarHBondContact O-N 3.48Å; K277-I279 CarbonylContact O-C 3.57Å; K277-I279 PolarHBondContact O-N 3.49Å; K277-S280 WeakPolarHBondContact O-CA 3.31Å; K277-S280 WeakPolarHBondContact O-CB 3.43Å; K277-S280 PolarHBondContact O-N 3.21Å
278	Q	59.4	Low	64.8	Low	30 Å²	30	75 Å²	75	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-41.2	-34.9	-179	-166.6	-170.9	-57.4	0	0	112.2	F44 D45 F276 Y282	F44-Q278 VanDerWaalsContact C-NE2 3.32Å; F44-Q278 HydrophobicContact CB-CG 4.01Å; F44-Q278 HydrophobicContact CD1-CG 3.71Å; F44-Q278 HydrophobicContact CG-CG 4.11Å; D45-Q278 PolarHBondContact O-NE2 3.43Å; F276-Q278 VanDerWaalsContact C-N 3.32Å; F276-Q278 PolarHBondContact O-N 3.15Å; F276-Q278 VanDerWaalsContact O-N 3.08Å; Q278-Y282 VanDerWaalsContact O-CB 3.24Å; Q278-Y282 WeakPolarHBondContact O-CB 3.38Å; Q278-Y282 PolarHBondContact O-N 3.26Å
279	I	60.8	Low	65.1	Low	70 Å²	70	75.2 Å²	75.2	36%	0.359	36%	0.362	S	S	.	.	H	α-helix	trans	-53	-51	169.5	-59.6	171	0	0	0	113.7	K277 L281 Y282 E283	K277-I279 CarbonylContact O-C 3.57Å; K277-I279 PolarHBondContact O-N 3.49Å; I279-L281 PolarHBondContact O-N 2.85Å; I279-Y282 PolarHBondContact O-N 2.93Å; I279-E283 VanDerWaalsContact CG2-CD 3.48Å; I279-E283 HydrophobicContact CG2-CG 4.17Å; I279-E283 WeakPolarHBondContact CG2-OE1 3.27Å; I279-E283 WeakPolarHBondContact O-CB 3.44Å; I279-E283 WeakPolarHBondContact O-CG 3.37Å; I279-E283 PolarHBondContact O-N 3.32Å
280	S	67.8	Low	65.9	Low	66 Å²	66	74.2 Å²	74.2	46%	0.462	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-34.9	-177.1	-175.2	0	0	0	0	113.7	K277 A284	K277-S280 WeakPolarHBondContact O-CA 3.31Å; K277-S280 WeakPolarHBondContact O-CB 3.43Å; K277-S280 PolarHBondContact O-N 3.21Å; S280-A284 WeakPolarHBondContact O-CB 3.38Å; S280-A284 PolarHBondContact O-N 3.04Å
281	L	73	Confident	66.9	Low	12 Å²	12	66.6 Å²	66.6	6%	0.063	32%	0.324	C	S	.	.	H	α-helix	trans	-78.2	-38.6	176.3	-173.8	61.6	0	0	0	111.3	F44 L56 W167 I274 I279 A284 L285	F44-L281 HydrophobicContact CE1-CD2 4.16Å; F44-L281 HydrophobicContact CZ-CD2 3.99Å; F44-L281 HydrophobicContact CZ-CG 4.22Å; L56-L281 HydrophobicContact CD1-CD2 3.83Å; W167-L281 HydrophobicContact CD2-CD1 4.17Å; W167-L281 HydrophobicContact CG-CD1 4.38Å; W167-L281 HydrophobicContact CZ2-CD1 4.26Å; I274-L281 HydrophobicContact CD1-CD2 4.38Å; I274-L281 HydrophobicContact CG2-CD2 4.42Å; I279-L281 PolarHBondContact O-N 2.85Å; L281-A284 PolarHBondContact O-N 2.89Å; L281-L285 HydrophobicContact CG-CD1 4.44Å; L281-L285 WeakPolarHBondContact O-CB 3.46Å; L281-L285 VanDerWaalsContact O-CG 3.32Å; L281-L285 WeakPolarHBondContact O-CG 3.35Å; L281-L285 PolarHBondContact O-N 2.85Å
282	Y	73.1	Confident	68.3	Low	18 Å²	18	60.1 Å²	60.1	7%	0.071	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-48.7	173.1	-177.8	-85.7	0	0	0	111.6	F44 T50 T51 Q278 I279 A284 L285 D286	F44-Y282 AromaticContact CD2-CD2 3.85Å; F44-Y282 HydrophobicContact CD2-CD2 3.85Å; F44-Y282 HydrophobicContact CE2-CD2 4.44Å; T50-Y282 HydrophobicContact CG2-CD1 3.79Å; T50-Y282 HydrophobicContact CG2-CD2 3.78Å; T50-Y282 HydrophobicContact CG2-CE1 3.95Å; T50-Y282 HydrophobicContact CG2-CE2 3.91Å; T50-Y282 HydrophobicContact CG2-CG 3.71Å; T51-Y282 PolarHBondContact OG1-OH 3.4Å; Q278-Y282 VanDerWaalsContact O-CB 3.24Å; Q278-Y282 WeakPolarHBondContact O-CB 3.38Å; Q278-Y282 PolarHBondContact O-N 3.26Å; I279-Y282 PolarHBondContact O-N 2.93Å; Y282-A284 VanDerWaalsContact C-N 3.3Å; Y282-A284 PolarHBondContact O-N 2.83Å; Y282-L285 WeakPolarHBondContact O-CB 3.48Å; Y282-L285 PolarHBondContact O-N 3.39Å; Y282-L285 VanDerWaalsContact O-N 3.14Å; Y282-D286 PolarHBondContact O-N 3.46Å
283	E	72.9	Confident	69.6	Low	79 Å²	79	53.6 Å²	53.6	37%	0.369	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-41.4	175.1	-74.8	173.6	178	0	0	110.4	R49 I279 L285 D286 Y287	R49-E283 IonicContact NH1-OE1 3.64Å; I279-E283 VanDerWaalsContact CG2-CD 3.48Å; I279-E283 HydrophobicContact CG2-CG 4.17Å; I279-E283 WeakPolarHBondContact CG2-OE1 3.27Å; I279-E283 WeakPolarHBondContact O-CB 3.44Å; I279-E283 WeakPolarHBondContact O-CG 3.37Å; I279-E283 PolarHBondContact O-N 3.32Å; E283-L285 PolarHBondContact O-N 2.87Å; E283-D286 PolarHBondContact O-N 3.17Å; E283-Y287 WeakPolarHBondContact O-CD2 3.32Å; E283-Y287 WeakPolarHBondContact O-CE2 3.13Å
284	A	74	Confident	71.1	Confident	21 Å²	21	53.1 Å²	53.1	17%	0.174	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-36.6	175.2	0	0	0	0	0	113.4	W167 S280 L281 Y282 D286 Y287 L288	W167-A284 HydrophobicContact CH2-CB 3.65Å; W167-A284 HydrophobicContact CZ2-CB 3.93Å; S280-A284 WeakPolarHBondContact O-CB 3.38Å; S280-A284 PolarHBondContact O-N 3.04Å; L281-A284 PolarHBondContact O-N 2.89Å; Y282-A284 VanDerWaalsContact C-N 3.3Å; Y282-A284 PolarHBondContact O-N 2.83Å; A284-D286 VanDerWaalsContact C-N 3.29Å; A284-D286 PolarHBondContact O-N 2.9Å; A284-Y287 PolarHBondContact O-N 2.89Å; A284-Y287 VanDerWaalsContact O-N 3.15Å; A284-L288 WeakPolarHBondContact O-CG 3.23Å; A284-L288 PolarHBondContact O-N 2.93Å
285	L	79	Confident	72.5	Confident	2 Å²	2	52 Å²	52	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-34.4	178	-84.9	162.5	0	0	0	113.1	F44 L56 Q259 L261 L281 Y282 E283 Y287 L288	F44-L285 HydrophobicContact CE2-CD1 3.34Å; F44-L285 HydrophobicContact CZ-CD1 3.7Å; L56-L285 HydrophobicContact CD2-CD1 3.92Å; L56-L285 HydrophobicContact CD2-CD2 4.2Å; Q259-L285 HydrophobicContact CB-CD2 3.82Å; Q259-L285 HydrophobicContact CG-CD2 4.39Å; Q259-L285 PolarHBondContact NE2-O 3.4Å; L261-L285 HydrophobicContact CD2-CD2 3.76Å; L281-L285 HydrophobicContact CG-CD1 4.44Å; L281-L285 WeakPolarHBondContact O-CB 3.46Å; L281-L285 VanDerWaalsContact O-CG 3.32Å; L281-L285 WeakPolarHBondContact O-CG 3.35Å; L281-L285 PolarHBondContact O-N 2.85Å; Y282-L285 WeakPolarHBondContact O-CB 3.48Å; Y282-L285 PolarHBondContact O-N 3.39Å; Y282-L285 VanDerWaalsContact O-N 3.14Å; E283-L285 PolarHBondContact O-N 2.87Å; L285-Y287 PolarHBondContact O-N 3.16Å; L285-L288 HydrophobicContact CD2-CD1 3.96Å; L285-L288 HydrophobicContact CG-CD1 4.44Å; L285-L288 PolarHBondContact O-N 3Å
286	D	77.8	Confident	73.9	Confident	67 Å²	67	47.5 Å²	47.5	36%	0.358	22%	0.223	S	C	.	.	H	α-helix	trans	-66.4	-29	176.6	-76.3	-16.7	0	0	0	112	N17 Y282 E283 A284 Y290	N17-D286 PolarHBondContact ND2-OD1 3.31Å; Y282-D286 PolarHBondContact O-N 3.46Å; E283-D286 PolarHBondContact O-N 3.17Å; A284-D286 VanDerWaalsContact C-N 3.29Å; A284-D286 PolarHBondContact O-N 2.9Å; D286-Y290 PolarHBondContact O-OH 3.22Å
287	Y	75.5	Confident	75	Confident	190 Å²	190	45.7 Å²	45.7	75%	0.745	22%	0.222	S	C	*	.	H	α-helix	trans	-88.3	-13.7	175.1	-62.1	-69.9	0	0	0	114	E283 A284 L285	E283-Y287 WeakPolarHBondContact O-CD2 3.32Å; E283-Y287 WeakPolarHBondContact O-CE2 3.13Å; A284-Y287 PolarHBondContact O-N 2.89Å; A284-Y287 VanDerWaalsContact O-N 3.15Å; L285-Y287 PolarHBondContact O-N 3.16Å
288	L	77.6	Confident	75.7	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.193	C	C	.	.	S	Bend	trans	-71.5	141.6	179.8	-80.5	173.3	0	0	0	110.7	W167 Y169 Q259 L261 A284 L285 Y290	W167-L288 HydrophobicContact CZ3-CD1 4.4Å; Y169-L288 HydrophobicContact CD1-CD2 3.51Å; Y169-L288 HydrophobicContact CE1-CD2 3.34Å; Q259-L288 HydrophobicContact CB-CB 4.08Å; Q259-L288 HydrophobicContact CG-CB 4.13Å; L261-L288 HydrophobicContact CB-CD1 4.44Å; L261-L288 HydrophobicContact CD2-CD1 4.09Å; A284-L288 WeakPolarHBondContact O-CG 3.23Å; A284-L288 PolarHBondContact O-N 2.93Å; L285-L288 HydrophobicContact CD2-CD1 3.96Å; L285-L288 HydrophobicContact CG-CD1 4.44Å; L285-L288 PolarHBondContact O-N 3Å; L288-Y290 WeakPolarHBondContact O-CD2 3.5Å; L288-Y290 WeakPolarHBondContact O-CE2 3.38Å; L288-Y290 PolarHBondContact O-N 3.3Å
289	P	77.2	Confident	76.3	Confident	9 Å²	9	41.2 Å²	41.2	6%	0.058	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.9	135	176	20.7	-25.8	0	0	0	111.6	Y155 Y175	Y155-P289 HydrophobicContact CD1-CB 3.51Å; Y155-P289 HydrophobicContact CD1-CG 4.07Å; Y155-P289 HydrophobicContact CE1-CB 3.17Å; Y155-P289 HydrophobicContact CE1-CG 4.21Å; Y155-P289 HydrophobicContact CG-CB 4.43Å; Y175-P289 HydrophobicContact CD1-CB 3.9Å; Y175-P289 HydrophobicContact CD1-CG 3.78Å; Y175-P289 HydrophobicContact CE1-CB 3.96Å; Y175-P289 HydrophobicContact CE1-CG 3.43Å; Y175-P289 VanDerWaalsContact CE1-CG 3.43Å; Y175-P289 WeakPolarHBondContact CE1-O 3.29Å; Y175-P289 HydrophobicContact CE2-CG 4.43Å; Y175-P289 HydrophobicContact CG-CG 4.41Å
290	Y	80.4	Confident	76.8	Confident	65 Å²	65	39.8 Å²	39.8	26%	0.255	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-89.7	145.3	-177.7	-53.9	-102.8	0	0	0	110.3	K257 Q259 D286 L288	K257-Y290 HydrophobicContact CB-CD1 4.25Å; K257-Y290 HydrophobicContact CD-CD1 4.47Å; Q259-Y290 VanDerWaalsContact CD-CD1 3.46Å; Q259-Y290 VanDerWaalsContact CD-CE1 3.43Å; Q259-Y290 HydrophobicContact CG-CD1 3.68Å; Q259-Y290 HydrophobicContact CG-CE1 3.92Å; Q259-Y290 HydrophobicContact CG-CG 4.19Å; D286-Y290 PolarHBondContact O-OH 3.22Å; L288-Y290 WeakPolarHBondContact O-CD2 3.5Å; L288-Y290 WeakPolarHBondContact O-CE2 3.38Å; L288-Y290 PolarHBondContact O-N 3.3Å
291	V	79.9	Confident	77	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.7	173.1	170.2	0	0	0	0	107.5	I174 Y175 T177 F258 P260 M293	I174-V291 HydrophobicContact CG2-CG2 4.48Å; I174-V291 WeakPolarHBondContact O-CG2 3.43Å; Y175-V291 HydrophobicContact CD1-CG2 3.79Å; Y175-V291 HydrophobicContact CE1-CG2 4.41Å; T177-V291 HydrophobicContact CG2-CG1 3.72Å; T177-V291 WeakPolarHBondContact OG1-CA 3.39Å; T177-V291 VanDerWaalsContact OG1-CG1 3.25Å; T177-V291 WeakPolarHBondContact OG1-CG1 3.09Å; F258-V291 PolarHBondContact N-O 2.95Å; F258-V291 PolarHBondContact O-N 3.48Å; P260-V291 HydrophobicContact CG-CG2 3.77Å; V291-M293 HydrophobicContact CG1-CG 4.13Å
292	V	82.5	Confident	77.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.3	170.9	173.8	0	0	0	0	108.9	Y69 S178 P181 F255 K257	Y69-V292 WeakPolarHBondContact CB-O 3.39Å; Y69-V292 PolarHBondContact N-O 3.22Å; S178-V292 WeakPolarHBondContact O-CB 3.33Å; S178-V292 WeakPolarHBondContact O-CG2 3.37Å; S178-V292 PolarHBondContact O-N 2.99Å; P181-V292 HydrophobicContact CB-CG1 4.47Å; P181-V292 HydrophobicContact CB-CG2 4.29Å; F255-V292 HydrophobicContact CB-CG1 3.97Å; F255-V292 HydrophobicContact CD1-CG1 4.1Å; K257-V292 HydrophobicContact CG-CG2 4.25Å
293	M	80.5	Confident	77.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	145.5	174.5	-59.4	-172	74	0	0	110.3	Y14 L62 C66 F255 V256 F258 V291	Y14-M293 HydrophobicContact CD1-SD 3.89Å; Y14-M293 HydrophobicContact CE1-CE 4.4Å; Y14-M293 HydrophobicContact CE1-SD 3.62Å; Y14-M293 HydrophobicContact CE2-SD 4.43Å; Y14-M293 HydrophobicContact CG-SD 4.37Å; L62-M293 HydrophobicContact CD2-CE 4.32Å; L62-M293 HydrophobicContact CD2-SD 3.63Å; L62-M293 HydrophobicContact CG-SD 4.4Å; C66-M293 HydrophobicContact CB-CB 4.13Å; C66-M293 HydrophobicContact CB-CE 3.96Å; F255-M293 WeakPolarHBondContact CA-O 3.41Å; V256-M293 PolarHBondContact N-O 3.49Å; V256-M293 PolarHBondContact O-N 3.36Å; F258-M293 HydrophobicContact CB-SD 4.22Å; F258-M293 HydrophobicContact CD2-CB 4.01Å; F258-M293 HydrophobicContact CD2-CG 4Å; F258-M293 HydrophobicContact CD2-SD 3.88Å; F258-M293 HydrophobicContact CE2-CB 4.45Å; F258-M293 HydrophobicContact CG-SD 4.25Å; V291-M293 HydrophobicContact CG1-CG 4.13Å
294	K	83.1	Confident	77.3	Confident	45 Å²	45	45 Å²	45	20%	0.196	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	112.1	173.6	178.5	-174.2	173.9	-171.5	0	108.3	C66 G67 Y69 F255	C66-K294 CarbonylContact C-O 3.57Å; C66-K294 WeakPolarHBondContact CA-O 3.31Å; G67-K294 PolarHBondContact N-O 3.44Å; G67-K294 PolarHBondContact O-N 3.45Å; Y69-K294 HydrophobicContact CD2-CB 3.93Å; Y69-K294 HydrophobicContact CD2-CD 4.23Å; Y69-K294 HydrophobicContact CG-CB 4.17Å; F255-K294 HydrophobicContact CD1-CB 4.21Å; F255-K294 HydrophobicContact CE1-CB 3.82Å; F255-K294 HydrophobicContact CE1-CD 4.3Å; F255-K294 HydrophobicContact CE1-CG 3.92Å; F255-K294 HydrophobicContact CZ-CB 4.49Å; F255-K294 HydrophobicContact CZ-CD 4.28Å; F255-K294 HydrophobicContact CZ-CG 4.08Å
295	C	84	Confident	77.7	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139.2	-175.7	-63.4	0	0	0	0	111.8	I24 I65 C66 S253 T254	I24-C295 HydrophobicContact CD1-CB 3.8Å; I24-C295 HydrophobicContact CG2-CB 4.23Å; I65-C295 HydrophobicContact CG2-CB 4.41Å; C66-C295 HydrophobicContact CB-CB 4.03Å; C66-C295 WeakPolarHBondContact CB-SG 3.34Å; C66-C295 WeakPolarHBondContact SG-CB 3.25Å; C66-C295 CovalentContact SG-SG 2.03Å; C66-C295 PolarHBondContact SG-SG 3.19Å; S253-C295 CarbonylContact C-O 3.57Å; S253-C295 WeakPolarHBondContact CA-O 3.48Å; T254-C295 PolarHBondContact N-O 3.44Å; T254-C295 PolarHBondContact O-N 2.92Å
296	H	80.8	Confident	77.9	Confident	42 Å²	42	48.3 Å²	48.3	19%	0.194	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113.2	178.3	-69.1	-67.6	0	0	0	110.8	I65 C298 M303	I65-H296 VanDerWaalsContact CG2-O 3.26Å; I65-H296 WeakPolarHBondContact CG2-O 3.47Å; I65-H296 PolarHBondContact O-N 3.41Å; H296-C298 PolarHBondContact O-N 3.5Å; H296-M303 HydrophobicContact CB-CE 4.03Å; H296-M303 HydrophobicContact CB-CG 4.41Å; H296-M303 WeakPolarHBondContact ND1-CE 3.19Å
297	T	76.4	Confident	77.9	Confident	74 Å²	74	49.3 Å²	49.3	45%	0.454	24%	0.235	S	C	.	.			trans	-71.1	-16.9	-178.3	53.9	0	0	0	0	113.8	Q252 T254	Q252-T297 PolarHBondContact O-N 3.37Å; Q252-T297 PolarHBondContact O-OG1 3.27Å; T254-T297 HydrophobicContact CG2-CG2 4.24Å
298	C	74.3	Confident	78.1	Confident	14 Å²	14	43.6 Å²	43.6	10%	0.095	22%	0.217	C	C	.	.	S	Bend	trans	-87.3	152.4	176.9	65.4	0	0	0	0	112.5	H296 H302 M303	H296-C298 PolarHBondContact O-N 3.5Å; C298-H302 HydrophobicContact CB-CB 4.25Å; C298-M303 WeakPolarHBondContact SG-CE 3.4Å; C298-M303 VanDerWaalsContact SG-CG 3.54Å
299	L	72.7	Confident	78.5	Confident	85 Å²	85	45.8 Å²	45.8	45%	0.445	23%	0.23	S	C	.	.			trans	-58.1	146.3	177.3	-71.1	77.1	0	0	0	111.1	M31 I301 H302 M303	M31-L299 HydrophobicContact SD-CG 4.34Å; L299-I301 PolarHBondContact O-N 3.04Å; L299-H302 WeakPolarHBondContact O-CB 3.48Å; L299-H302 PolarHBondContact O-N 3.11Å; L299-M303 PolarHBondContact O-N 3.36Å
300	P	70.2	Confident	78.9	Confident	40 Å²	40	47.9 Å²	47.9	26%	0.26	24%	0.237	S	C	.	.	H	α-helix	trans	-59.3	-24.3	-179.5	-35.2	45.3	0	0	0	115.2	F64 H302 M303 F304	F64-P300 HydrophobicContact CD1-CG 3.78Å; F64-P300 HydrophobicContact CE1-CB 4.28Å; F64-P300 HydrophobicContact CE1-CG 3.36Å; F64-P300 HydrophobicContact CE2-CB 4.41Å; F64-P300 HydrophobicContact CE2-CG 4.16Å; F64-P300 HydrophobicContact CG-CG 4.39Å; F64-P300 HydrophobicContact CZ-CB 3.98Å; F64-P300 HydrophobicContact CZ-CG 3.56Å; P300-H302 VanDerWaalsContact C-N 3.33Å; P300-M303 PolarHBondContact O-N 3.44Å; P300-F304 WeakPolarHBondContact O-CB 3.33Å; P300-F304 PolarHBondContact O-N 2.98Å
301	I	71.6	Confident	78.9	Confident	80 Å²	80	45.3 Å²	45.3	41%	0.41	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-41.3	172	-60.5	171.4	0	0	0	110.7	L299 F304 L305	L299-I301 PolarHBondContact O-N 3.04Å; I301-F304 WeakPolarHBondContact O-CB 3.32Å; I301-F304 PolarHBondContact O-N 3.14Å; I301-L305 HydrophobicContact CG2-CD1 4.17Å; I301-L305 WeakPolarHBondContact O-CB 3.31Å; I301-L305 WeakPolarHBondContact O-CG 3.49Å; I301-L305 PolarHBondContact O-N 3.33Å
302	H	77.4	Confident	79.2	Confident	101 Å²	101	48.8 Å²	48.8	47%	0.468	25%	0.246	S	C	.	.	H	α-helix	trans	-67.2	-39.6	176.5	-65.7	-60.2	0	0	0	111.8	C298 L299 P300 F304 L305 Y306	C298-H302 HydrophobicContact CB-CB 4.25Å; L299-H302 WeakPolarHBondContact O-CB 3.48Å; L299-H302 PolarHBondContact O-N 3.11Å; P300-H302 VanDerWaalsContact C-N 3.33Å; H302-F304 VanDerWaalsContact C-N 3.35Å; H302-L305 PolarHBondContact O-N 2.87Å; H302-Y306 WeakPolarHBondContact O-CB 3.43Å; H302-Y306 PolarHBondContact O-N 3.12Å
303	M	73.9	Confident	79.5	Confident	15 Å²	15	51.6 Å²	51.6	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-42.8	173.1	-80.8	-68.1	161.5	0	0	111.9	P249 H296 C298 L299 P300 Y306 F307	P249-M303 WeakPolarHBondContact O-CE 3.42Å; H296-M303 HydrophobicContact CB-CE 4.03Å; H296-M303 HydrophobicContact CB-CG 4.41Å; H296-M303 WeakPolarHBondContact ND1-CE 3.19Å; C298-M303 WeakPolarHBondContact SG-CE 3.4Å; C298-M303 VanDerWaalsContact SG-CG 3.54Å; L299-M303 PolarHBondContact O-N 3.36Å; P300-M303 PolarHBondContact O-N 3.44Å; M303-Y306 WeakPolarHBondContact O-CB 3.36Å; M303-Y306 PolarHBondContact O-N 3.31Å; M303-F307 WeakPolarHBondContact O-CD2 3.35Å; M303-F307 PolarHBondContact O-N 3.08Å
304	F	74.8	Confident	79.8	Confident	88 Å²	88	51.7 Å²	51.7	39%	0.386	26%	0.261	S	S	.	.	H	α-helix	trans	-59.7	-50.3	175.5	172.3	-107.2	0	0	0	111.8	P300 I301 H302 Y306 F307 L308 M500	P300-F304 WeakPolarHBondContact O-CB 3.33Å; P300-F304 PolarHBondContact O-N 2.98Å; I301-F304 WeakPolarHBondContact O-CB 3.32Å; I301-F304 PolarHBondContact O-N 3.14Å; H302-F304 VanDerWaalsContact C-N 3.35Å; F304-Y306 VanDerWaalsContact C-N 3.27Å; F304-Y306 PolarHBondContact O-N 3.11Å; F304-F307 PolarHBondContact O-N 3.4Å; F304-L308 PolarHBondContact O-N 3.43Å; F304-M500 HydrophobicContact CD2-CE 3.26Å; F304-M500 HydrophobicContact CD2-CG 4.32Å; F304-M500 HydrophobicContact CD2-SD 3.65Å; F304-M500 HydrophobicContact CE2-CE 3.36Å; F304-M500 HydrophobicContact CE2-CG 4.15Å; F304-M500 HydrophobicContact CE2-SD 4.01Å; F304-M500 HydrophobicContact CG-CE 4.17Å; F304-M500 HydrophobicContact CZ-CE 4.33Å
305	L	81.3	Confident	79.6	Confident	81 Å²	81	49.8 Å²	49.8	42%	0.424	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-37.4	176.4	-71.6	173.5	0	0	0	111.8	I301 H302 L308 T309	I301-L305 HydrophobicContact CG2-CD1 4.17Å; I301-L305 WeakPolarHBondContact O-CB 3.31Å; I301-L305 WeakPolarHBondContact O-CG 3.49Å; I301-L305 PolarHBondContact O-N 3.33Å; H302-L305 PolarHBondContact O-N 2.87Å; L305-L308 PolarHBondContact O-N 3.4Å; L305-T309 VanDerWaalsContact O-CB 3.22Å; L305-T309 WeakPolarHBondContact O-CB 2.96Å; L305-T309 PolarHBondContact O-N 3.27Å; L305-T309 PolarHBondContact O-OG1 3.16Å
306	Y	83.7	Confident	79.5	Confident	11 Å²	11	53.3 Å²	53.3	4%	0.043	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-48	174.4	166.2	-102.7	0	0	0	111.9	H247 P249 M250 H302 M303 F304 L308 T309 R310	H247-Y306 AromaticContact ND1-CE2 3.7Å; H247-Y306 AromaticContact ND1-CZ 3.73Å; H247-Y306 PolarHBondContact ND1-OH 2.58Å; P249-Y306 HydrophobicContact CB-CD2 4.16Å; P249-Y306 HydrophobicContact CB-CG 4.14Å; P249-Y306 HydrophobicContact CG-CD2 4.14Å; P249-Y306 HydrophobicContact CG-CG 4.5Å; M250-Y306 HydrophobicContact CB-CE1 4.09Å; M250-Y306 HydrophobicContact CB-CE2 4.43Å; M250-Y306 HydrophobicContact CG-CE1 4.45Å; M250-Y306 HydrophobicContact SD-CE1 4.4Å; M250-Y306 PolarHBondContact SD-OH 3.17Å; H302-Y306 WeakPolarHBondContact O-CB 3.43Å; H302-Y306 PolarHBondContact O-N 3.12Å; M303-Y306 WeakPolarHBondContact O-CB 3.36Å; M303-Y306 PolarHBondContact O-N 3.31Å; F304-Y306 VanDerWaalsContact C-N 3.27Å; F304-Y306 PolarHBondContact O-N 3.11Å; Y306-L308 VanDerWaalsContact C-N 3.35Å; Y306-L308 PolarHBondContact O-N 2.9Å; Y306-T309 PolarHBondContact O-N 3.44Å; Y306-R310 WeakPolarHBondContact O-CB 2.87Å; Y306-R310 PolarHBondContact O-N 3.36Å
307	F	77.8	Confident	79.9	Confident	89 Å²	89	54.2 Å²	54.2	39%	0.39	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-42.2	177.8	-76.2	-64.5	0	0	0	112	M303 F304 R310 V311	M303-F307 WeakPolarHBondContact O-CD2 3.35Å; M303-F307 PolarHBondContact O-N 3.08Å; F304-F307 PolarHBondContact O-N 3.4Å; F307-R310 PolarHBondContact O-N 3.04Å; F307-V311 WeakPolarHBondContact O-CG2 3.23Å; F307-V311 PolarHBondContact O-N 3.15Å
308	L	80.9	Confident	80.5	Confident	70 Å²	70	50.7 Å²	50.7	37%	0.366	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-47.6	174.8	-177.8	63.9	0	0	0	111.5	F304 L305 Y306 R310 V311 I312	F304-L308 PolarHBondContact O-N 3.43Å; L305-L308 PolarHBondContact O-N 3.4Å; Y306-L308 VanDerWaalsContact C-N 3.35Å; Y306-L308 PolarHBondContact O-N 2.9Å; L308-R310 VanDerWaalsContact C-N 3.29Å; L308-R310 PolarHBondContact O-N 3.5Å; L308-V311 PolarHBondContact O-N 3.32Å; L308-I312 HydrophobicContact CD1-CD1 3.95Å; L308-I312 HydrophobicContact CD1-CG1 4.49Å; L308-I312 HydrophobicContact CG-CD1 3.93Å; L308-I312 WeakPolarHBondContact O-CG1 3.12Å; L308-I312 PolarHBondContact O-N 3.15Å
309	T	85.9	Confident	80.9	Confident	49 Å²	49	50.4 Å²	50.4	30%	0.301	25%	0.254	S	S	.	.	H	α-helix	trans	-60.6	-40.1	177.7	-59	0	0	0	0	110.9	L246 L305 Y306 I312 L313	L246-T309 HydrophobicContact CD1-CG2 3.77Å; L305-T309 VanDerWaalsContact O-CB 3.22Å; L305-T309 WeakPolarHBondContact O-CB 2.96Å; L305-T309 PolarHBondContact O-N 3.27Å; L305-T309 PolarHBondContact O-OG1 3.16Å; Y306-T309 PolarHBondContact O-N 3.44Å; T309-I312 PolarHBondContact O-N 2.86Å; T309-L313 HydrophobicContact CG2-CB 4.49Å; T309-L313 HydrophobicContact CG2-CD1 3.45Å; T309-L313 VanDerWaalsContact CG2-CD1 3.45Å; T309-L313 HydrophobicContact CG2-CG 3.9Å; T309-L313 VanDerWaalsContact O-CB 3.3Å; T309-L313 WeakPolarHBondContact O-CB 3.46Å; T309-L313 PolarHBondContact O-N 3.07Å
310	R	84	Confident	81.5	Confident	53 Å²	53	50.1 Å²	50.1	20%	0.2	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-48.2	175.4	169.6	172.7	-177.8	-170.8	3.5	111.5	Y306 F307 L308 I312 I314	Y306-R310 WeakPolarHBondContact O-CB 2.87Å; Y306-R310 PolarHBondContact O-N 3.36Å; F307-R310 PolarHBondContact O-N 3.04Å; L308-R310 VanDerWaalsContact C-N 3.29Å; L308-R310 PolarHBondContact O-N 3.5Å; R310-I312 VanDerWaalsContact C-N 3.32Å; R310-I312 PolarHBondContact O-N 2.83Å; R310-I314 HydrophobicContact CB-CD1 4.13Å; R310-I314 HydrophobicContact CG-CD1 3.8Å; R310-I314 WeakPolarHBondContact O-CB 3.06Å; R310-I314 PolarHBondContact O-N 2.9Å
311	V	81.2	Confident	82.5	Confident	11 Å²	11	51.1 Å²	51.1	7%	0.067	26%	0.255	C	S	.	.	I	π-helix	trans	-59.5	-46.2	177.5	175.2	0	0	0	0	110.9	F307 L308 H315 L316 F493	F307-V311 WeakPolarHBondContact O-CG2 3.23Å; F307-V311 PolarHBondContact O-N 3.15Å; L308-V311 PolarHBondContact O-N 3.32Å; V311-H315 WeakPolarHBondContact O-CB 3.07Å; V311-H315 PolarHBondContact O-N 2.95Å; V311-L316 PolarHBondContact O-N 3.32Å; V311-F493 HydrophobicContact CB-CD2 4.36Å; V311-F493 HydrophobicContact CG1-CB 3.9Å; V311-F493 HydrophobicContact CG1-CD2 3.63Å; V311-F493 HydrophobicContact CG1-CE2 4.49Å; V311-F493 HydrophobicContact CG1-CG 4.06Å; V311-F493 HydrophobicContact CG2-CB 4.5Å; V311-F493 HydrophobicContact CG2-CD2 4.3Å
312	I	86.1	Confident	83.3	Confident	75 Å²	75	47.6 Å²	47.6	39%	0.385	24%	0.237	S	C	.	.	I	π-helix	trans	-70.8	-56.3	-176.2	-63.2	170.6	0	0	0	111.3	L308 T309 R310 L316 L317	L308-I312 HydrophobicContact CD1-CD1 3.95Å; L308-I312 HydrophobicContact CD1-CG1 4.49Å; L308-I312 HydrophobicContact CG-CD1 3.93Å; L308-I312 WeakPolarHBondContact O-CG1 3.12Å; L308-I312 PolarHBondContact O-N 3.15Å; T309-I312 PolarHBondContact O-N 2.86Å; R310-I312 VanDerWaalsContact C-N 3.32Å; R310-I312 PolarHBondContact O-N 2.83Å; I312-L316 PolarHBondContact O-N 3.45Å; I312-L317 WeakPolarHBondContact O-CB 3.41Å; I312-L317 PolarHBondContact O-N 2.93Å
313	L	89.2	Confident	83.6	Confident	59 Å²	59	45.2 Å²	45.2	31%	0.309	23%	0.227	S	C	.	.	I	π-helix	trans	-80.8	-27.2	-170.5	-64.8	-173.3	0	0	0	114.3	W204 L246 T309 L317 P318	W204-L313 VanDerWaalsContact CZ2-O 3.26Å; W204-L313 WeakPolarHBondContact CZ2-O 3.21Å; W204-L313 PolarHBondContact NE1-O 3.38Å; L246-L313 HydrophobicContact CD1-CD1 4.05Å; T309-L313 HydrophobicContact CG2-CB 4.49Å; T309-L313 HydrophobicContact CG2-CD1 3.45Å; T309-L313 VanDerWaalsContact CG2-CD1 3.45Å; T309-L313 HydrophobicContact CG2-CG 3.9Å; T309-L313 VanDerWaalsContact O-CB 3.3Å; T309-L313 WeakPolarHBondContact O-CB 3.46Å; T309-L313 PolarHBondContact O-N 3.07Å; L313-L317 HydrophobicContact CD2-CD2 3.71Å; L313-P318 VanDerWaalsContact O-CD 3.26Å; L313-P318 WeakPolarHBondContact O-CD 3.31Å; L313-P318 VanDerWaalsContact O-CG 3.23Å; L313-P318 WeakPolarHBondContact O-CG 3.33Å
314	I	85.6	Confident	84.4	Confident	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.244	C	C	.	.	I	π-helix	trans	-96.9	-36.9	-175.9	-60	171	0	0	0	110.7	T200 L246 H247 R310	T200-I314 HydrophobicContact CG2-CD1 4.18Å; T200-I314 HydrophobicContact CG2-CG1 3.94Å; T200-I314 WeakPolarHBondContact OG1-CD1 3.07Å; L246-I314 HydrophobicContact CD2-CD1 3.8Å; L246-I314 HydrophobicContact CD2-CG1 3.83Å; H247-I314 WeakPolarHBondContact CE1-CD1 3.34Å; H247-I314 WeakPolarHBondContact NE2-CD1 3.37Å; R310-I314 HydrophobicContact CB-CD1 4.13Å; R310-I314 HydrophobicContact CG-CD1 3.8Å; R310-I314 WeakPolarHBondContact O-CB 3.06Å; R310-I314 PolarHBondContact O-N 2.9Å
315	H	79.2	Confident	85.1	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.028	23%	0.231	C	C	.	.	I	π-helix	trans	-105.5	-60.4	-174.5	-60.9	-64.7	0	0	0	112.6	H199 V311 C319 A489	H199-H315 AromaticContact NE2-CE1 3.92Å; V311-H315 WeakPolarHBondContact O-CB 3.07Å; V311-H315 PolarHBondContact O-N 2.95Å; H315-C319 WeakPolarHBondContact O-CB 3.19Å; H315-C319 PolarHBondContact O-N 3.48Å; H315-C319 PolarHBondContact O-SG 3.27Å; H315-A489 HydrophobicContact CB-CB 3.52Å
316	L	82.3	Confident	85.2	Confident	75 Å²	75	41.6 Å²	41.6	39%	0.393	21%	0.211	S	C	.	.	I	π-helix	trans	-71.7	-52	-169.1	-172.3	64.7	0	0	0	112.7	V311 I312 C319 I320	V311-L316 PolarHBondContact O-N 3.32Å; I312-L316 PolarHBondContact O-N 3.45Å; L316-C319 PolarHBondContact O-N 3.24Å; L316-I320 HydrophobicContact CD1-CD1 3.8Å; L316-I320 HydrophobicContact CD1-CG1 4.31Å; L316-I320 HydrophobicContact CD2-CD1 4.42Å; L316-I320 HydrophobicContact CG-CD1 3.71Å; L316-I320 HydrophobicContact CG-CG1 4.49Å; L316-I320 WeakPolarHBondContact O-CG1 3.42Å; L316-I320 PolarHBondContact O-N 3.41Å
317	L	89.5	Confident	85.4	Confident	60 Å²	60	45.2 Å²	45.2	31%	0.314	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-49.5	-174.5	178.5	68.7	0	0	0	112.3	W204 I312 L313 C319 I320 L321	W204-L317 HydrophobicContact CH2-CD2 3.92Å; W204-L317 HydrophobicContact CZ2-CD2 4.36Å; I312-L317 WeakPolarHBondContact O-CB 3.41Å; I312-L317 PolarHBondContact O-N 2.93Å; L313-L317 HydrophobicContact CD2-CD2 3.71Å; L317-C319 VanDerWaalsContact C-N 3.31Å; L317-C319 PolarHBondContact O-N 3.15Å; L317-I320 PolarHBondContact O-N 3.3Å; L317-L321 HydrophobicContact CD1-CD1 3.81Å; L317-L321 HydrophobicContact CD1-CG 3.98Å; L317-L321 HydrophobicContact CG-CD1 3.83Å; L317-L321 HydrophobicContact CG-CG 4.36Å; L317-L321 WeakPolarHBondContact O-CB 3.18Å; L317-L321 VanDerWaalsContact O-CG 3.26Å; L317-L321 WeakPolarHBondContact O-CG 3.37Å; L317-L321 PolarHBondContact O-N 3.33Å
318	P	88	Confident	85.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.3	-36.6	178.1	-23.6	36.6	0	0	0	112.6	T203 W204 L313 L322	T203-P318 HydrophobicContact CG2-CB 3.5Å; T203-P318 HydrophobicContact CG2-CG 3.9Å; W204-P318 HydrophobicContact CZ2-CG 4.15Å; L313-P318 VanDerWaalsContact O-CD 3.26Å; L313-P318 WeakPolarHBondContact O-CD 3.31Å; L313-P318 VanDerWaalsContact O-CG 3.23Å; L313-P318 WeakPolarHBondContact O-CG 3.33Å; P318-L322 VanDerWaalsContact O-CB 3.26Å; P318-L322 WeakPolarHBondContact O-CB 3.36Å; P318-L322 VanDerWaalsContact O-CG 3.22Å; P318-L322 WeakPolarHBondContact O-CG 3.03Å; P318-L322 PolarHBondContact O-N 3.36Å
319	C	83.1	Confident	86.1	Confident	8 Å²	8	40.8 Å²	40.8	5%	0.054	21%	0.211	C	C	.	.	H	α-helix	trans	-64.3	-49.3	176.8	-70.8	0	0	0	0	111.8	H315 L316 L317 L321 L322 I323	H315-C319 WeakPolarHBondContact O-CB 3.19Å; H315-C319 PolarHBondContact O-N 3.48Å; H315-C319 PolarHBondContact O-SG 3.27Å; L316-C319 PolarHBondContact O-N 3.24Å; L317-C319 VanDerWaalsContact C-N 3.31Å; L317-C319 PolarHBondContact O-N 3.15Å; C319-L321 PolarHBondContact O-N 2.93Å; C319-L322 PolarHBondContact O-N 3.46Å; C319-I323 WeakPolarHBondContact O-CD1 3.37Å; C319-I323 VanDerWaalsContact O-CG1 3.27Å; C319-I323 WeakPolarHBondContact O-CG1 3.1Å; C319-I323 PolarHBondContact O-N 3.2Å
320	I	86.8	Confident	85.9	Confident	79 Å²	79	40.3 Å²	40.3	41%	0.405	21%	0.206	S	C	.	.	H	α-helix	trans	-60.7	-46.8	178.1	-67.7	172.3	0	0	0	110.3	L316 L317 L322 I323 I324	L316-I320 HydrophobicContact CD1-CD1 3.8Å; L316-I320 HydrophobicContact CD1-CG1 4.31Å; L316-I320 HydrophobicContact CD2-CD1 4.42Å; L316-I320 HydrophobicContact CG-CD1 3.71Å; L316-I320 HydrophobicContact CG-CG1 4.49Å; L316-I320 WeakPolarHBondContact O-CG1 3.42Å; L316-I320 PolarHBondContact O-N 3.41Å; L317-I320 PolarHBondContact O-N 3.3Å; I320-L322 PolarHBondContact O-N 2.89Å; I320-I323 PolarHBondContact O-N 3.5Å; I320-I324 HydrophobicContact CG2-CD1 3.72Å; I320-I324 HydrophobicContact CG2-CG1 4.45Å; I320-I324 VanDerWaalsContact O-CG1 3.32Å; I320-I324 WeakPolarHBondContact O-CG1 3.34Å; I320-I324 PolarHBondContact O-N 3.47Å
321	L	91.3	Very high	86.1	Confident	61 Å²	61	43.6 Å²	43.6	32%	0.319	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-39.8	179	-67.8	175.3	0	0	0	112	L207 L317 C319 I324 L325	L207-L321 HydrophobicContact CD1-CB 3.53Å; L207-L321 HydrophobicContact CD2-CB 4.25Å; L207-L321 HydrophobicContact CD2-CD1 3.79Å; L317-L321 HydrophobicContact CD1-CD1 3.81Å; L317-L321 HydrophobicContact CD1-CG 3.98Å; L317-L321 HydrophobicContact CG-CD1 3.83Å; L317-L321 HydrophobicContact CG-CG 4.36Å; L317-L321 WeakPolarHBondContact O-CB 3.18Å; L317-L321 VanDerWaalsContact O-CG 3.26Å; L317-L321 WeakPolarHBondContact O-CG 3.37Å; L317-L321 PolarHBondContact O-N 3.33Å; C319-L321 PolarHBondContact O-N 2.93Å; L321-I324 PolarHBondContact O-N 3.48Å; L321-L325 VanDerWaalsContact O-CB 3.27Å; L321-L325 WeakPolarHBondContact O-CB 3.27Å; L321-L325 WeakPolarHBondContact O-CG 3.43Å; L321-L325 PolarHBondContact O-N 3.43Å
322	L	86.8	Confident	86.3	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-41	175.1	-80.8	170.8	0	0	0	112.3	T206 L207 A210 P318 C319 I320 T326 F481	T206-L322 HydrophobicContact CG2-CD2 4.42Å; L207-L322 HydrophobicContact CB-CD2 4.46Å; L207-L322 HydrophobicContact CD1-CD2 4.01Å; L207-L322 HydrophobicContact CD1-CG 3.84Å; A210-L322 HydrophobicContact CB-CD2 3.72Å; P318-L322 VanDerWaalsContact O-CB 3.26Å; P318-L322 WeakPolarHBondContact O-CB 3.36Å; P318-L322 VanDerWaalsContact O-CG 3.22Å; P318-L322 WeakPolarHBondContact O-CG 3.03Å; P318-L322 PolarHBondContact O-N 3.36Å; C319-L322 PolarHBondContact O-N 3.46Å; I320-L322 PolarHBondContact O-N 2.89Å; L322-T326 VanDerWaalsContact O-CB 3.23Å; L322-T326 WeakPolarHBondContact O-CB 3.48Å; L322-T326 PolarHBondContact O-N 3.48Å; L322-T326 PolarHBondContact O-OG1 3.38Å; L322-F481 HydrophobicContact CD1-CD1 3.73Å; L322-F481 HydrophobicContact CD1-CD2 4.11Å; L322-F481 HydrophobicContact CD1-CE1 3.82Å; L322-F481 HydrophobicContact CD1-CE2 4.23Å; L322-F481 HydrophobicContact CD1-CG 3.88Å; L322-F481 HydrophobicContact CD1-CZ 4.07Å
323	I	85.3	Confident	85.9	Confident	52 Å²	52	44.7 Å²	44.7	27%	0.267	23%	0.227	S	C	.	.	H	α-helix	trans	-60.9	-52.5	175.5	-68.3	161.9	0	0	0	109.8	C319 I320 L325 T326 I327 L478 I482	C319-I323 WeakPolarHBondContact O-CD1 3.37Å; C319-I323 VanDerWaalsContact O-CG1 3.27Å; C319-I323 WeakPolarHBondContact O-CG1 3.1Å; C319-I323 PolarHBondContact O-N 3.2Å; I320-I323 PolarHBondContact O-N 3.5Å; I323-L325 PolarHBondContact O-N 3.26Å; I323-T326 PolarHBondContact O-N 3.07Å; I323-I327 HydrophobicContact CG2-CD1 3.84Å; I323-I327 VanDerWaalsContact O-CG1 3.32Å; I323-I327 WeakPolarHBondContact O-CG1 3.18Å; I323-I327 PolarHBondContact O-N 3.41Å; I323-L478 HydrophobicContact CB-CD1 4.39Å; I323-L478 HydrophobicContact CG1-CD1 3.83Å; I323-I482 HydrophobicContact CD1-CG1 4.33Å; I323-I482 HydrophobicContact CG1-CD1 4.17Å; I323-I482 HydrophobicContact CG1-CG1 4.22Å
324	I	90.4	Very high	85.6	Confident	83 Å²	83	50.2 Å²	50.2	43%	0.426	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-50.9	-179.7	-67.1	169.3	0	0	0	110.6	I320 L321 T326 I327 I328	I320-I324 HydrophobicContact CG2-CD1 3.72Å; I320-I324 HydrophobicContact CG2-CG1 4.45Å; I320-I324 VanDerWaalsContact O-CG1 3.32Å; I320-I324 WeakPolarHBondContact O-CG1 3.34Å; I320-I324 PolarHBondContact O-N 3.47Å; L321-I324 PolarHBondContact O-N 3.48Å; I324-T326 VanDerWaalsContact C-N 3.3Å; I324-T326 PolarHBondContact O-N 3.08Å; I324-I327 PolarHBondContact O-N 2.81Å; I324-I328 HydrophobicContact CG2-CD1 3.79Å; I324-I328 VanDerWaalsContact O-CG1 3.29Å; I324-I328 WeakPolarHBondContact O-CG1 3.41Å; I324-I328 PolarHBondContact O-N 2.98Å
325	L	89.5	Confident	85.5	Confident	22 Å²	22	54.4 Å²	54.4	12%	0.115	26%	0.263	C	S	.	.	H	α-helix	trans	-59.9	-41.1	179.7	-72.9	172.1	0	0	0	111.7	L207 A210 L211 L214 L321 I323 I328 I329	L207-L325 HydrophobicContact CD1-CD1 3.6Å; L207-L325 HydrophobicContact CG-CD1 4.49Å; A210-L325 HydrophobicContact CB-CB 4.49Å; A210-L325 HydrophobicContact CB-CD1 4.21Å; L211-L325 HydrophobicContact CB-CD1 4.3Å; L211-L325 HydrophobicContact CD1-CD2 4.19Å; L214-L325 HydrophobicContact CD2-CD2 3.52Å; L321-L325 VanDerWaalsContact O-CB 3.27Å; L321-L325 WeakPolarHBondContact O-CB 3.27Å; L321-L325 WeakPolarHBondContact O-CG 3.43Å; L321-L325 PolarHBondContact O-N 3.43Å; I323-L325 PolarHBondContact O-N 3.26Å; L325-I328 PolarHBondContact O-N 3.08Å; L325-I329 WeakPolarHBondContact O-CB 3.48Å; L325-I329 WeakPolarHBondContact O-CD1 3.33Å; L325-I329 WeakPolarHBondContact O-CG1 3.46Å; L325-I329 PolarHBondContact O-N 3.47Å
326	T	83.7	Confident	85.5	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-41.7	179.8	-58.7	0	0	0	0	112	L322 I323 I324 I328 I329 I330 L474 L478	L322-T326 VanDerWaalsContact O-CB 3.23Å; L322-T326 WeakPolarHBondContact O-CB 3.48Å; L322-T326 PolarHBondContact O-N 3.48Å; L322-T326 PolarHBondContact O-OG1 3.38Å; I323-T326 PolarHBondContact O-N 3.07Å; I324-T326 VanDerWaalsContact C-N 3.3Å; I324-T326 PolarHBondContact O-N 3.08Å; T326-I328 VanDerWaalsContact C-N 3.34Å; T326-I328 PolarHBondContact O-N 3.26Å; T326-I329 PolarHBondContact O-N 3.43Å; T326-I330 HydrophobicContact CG2-CD1 3.86Å; T326-I330 HydrophobicContact CG2-CG1 4.46Å; T326-I330 WeakPolarHBondContact O-CD1 3.39Å; T326-I330 WeakPolarHBondContact O-CG1 3.28Å; T326-I330 PolarHBondContact O-N 2.94Å; T326-L474 HydrophobicContact CG2-CD2 3.73Å; T326-L474 HydrophobicContact CG2-CG 4.26Å; T326-L478 HydrophobicContact CG2-CB 3.97Å; T326-L478 HydrophobicContact CG2-CD2 3.49Å; T326-L478 VanDerWaalsContact CG2-CD2 3.49Å; T326-L478 HydrophobicContact CG2-CG 4.18Å
327	I	86.2	Confident	85.1	Confident	87 Å²	87	57.6 Å²	57.6	45%	0.446	28%	0.28	S	S	.	.	H	α-helix	trans	-58.9	-48.2	174.3	-68.4	167.1	0	0	0	110	I323 I324 I329 I330 M331	I323-I327 HydrophobicContact CG2-CD1 3.84Å; I323-I327 VanDerWaalsContact O-CG1 3.32Å; I323-I327 WeakPolarHBondContact O-CG1 3.18Å; I323-I327 PolarHBondContact O-N 3.41Å; I324-I327 PolarHBondContact O-N 2.81Å; I327-I329 VanDerWaalsContact C-N 3.33Å; I327-I329 PolarHBondContact O-N 3.28Å; I327-I330 PolarHBondContact O-N 3.21Å; I327-M331 HydrophobicContact CG2-CG 4.43Å; I327-M331 HydrophobicContact CG2-SD 3.97Å; I327-M331 VanDerWaalsContact O-CG 3.32Å; I327-M331 WeakPolarHBondContact O-CG 2.97Å; I327-M331 PolarHBondContact O-N 3.11Å
328	I	89.2	Confident	84.8	Confident	62 Å²	62	62.3 Å²	62.3	32%	0.318	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-44	178.4	-64.2	168.6	0	0	0	110.7	L214 I324 L325 T326 I330 M331 K332	L214-I328 HydrophobicContact CD1-CB 4.48Å; L214-I328 HydrophobicContact CD1-CG2 3.65Å; L214-I328 HydrophobicContact CD2-CG2 4.21Å; I324-I328 HydrophobicContact CG2-CD1 3.79Å; I324-I328 VanDerWaalsContact O-CG1 3.29Å; I324-I328 WeakPolarHBondContact O-CG1 3.41Å; I324-I328 PolarHBondContact O-N 2.98Å; L325-I328 PolarHBondContact O-N 3.08Å; T326-I328 VanDerWaalsContact C-N 3.34Å; T326-I328 PolarHBondContact O-N 3.26Å; I328-I330 PolarHBondContact O-N 3.46Å; I328-M331 PolarHBondContact O-N 3.23Å; I328-K332 HydrophobicContact CG2-CG 4.34Å; I328-K332 WeakPolarHBondContact O-CB 3.48Å; I328-K332 WeakPolarHBondContact O-CG 3.3Å; I328-K332 PolarHBondContact O-N 3.34Å
329	I	84.8	Confident	84.4	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-48	177.3	-71.7	164.5	0	0	0	110.6	A210 L214 I217 L325 T326 I327 M331 K332 M333 L474	A210-I329 WeakPolarHBondContact O-CD1 3.32Å; L214-I329 HydrophobicContact CB-CD1 4.09Å; L214-I329 HydrophobicContact CB-CG1 3.89Å; L214-I329 HydrophobicContact CD1-CG1 3.82Å; L214-I329 HydrophobicContact CG-CG1 4.42Å; I217-I329 HydrophobicContact CD1-CG1 4.42Å; I217-I329 HydrophobicContact CD1-CG2 3.67Å; L325-I329 WeakPolarHBondContact O-CB 3.48Å; L325-I329 WeakPolarHBondContact O-CD1 3.33Å; L325-I329 WeakPolarHBondContact O-CG1 3.46Å; L325-I329 PolarHBondContact O-N 3.47Å; T326-I329 PolarHBondContact O-N 3.43Å; I327-I329 VanDerWaalsContact C-N 3.33Å; I327-I329 PolarHBondContact O-N 3.28Å; I329-M331 PolarHBondContact O-N 2.01Å; I329-K332 PolarHBondContact O-N 3.27Å; I329-M333 HydrophobicContact CG2-CG 4.22Å; I329-M333 WeakPolarHBondContact O-CB 3.38Å; I329-M333 VanDerWaalsContact O-CG 3.26Å; I329-M333 WeakPolarHBondContact O-CG 3.38Å; I329-M333 PolarHBondContact O-N 3.17Å; I329-L474 HydrophobicContact CB-CD2 3.91Å; I329-L474 HydrophobicContact CD1-CD1 4.44Å; I329-L474 HydrophobicContact CD1-CD2 3.45Å; I329-L474 VanDerWaalsContact CD1-CD2 3.45Å; I329-L474 HydrophobicContact CG1-CD2 4.27Å; I329-L474 HydrophobicContact CG2-CD2 3.74Å
330	I	82.4	Confident	84	Confident	39 Å²	39	71.9 Å²	71.9	20%	0.2	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-45.7	178.1	-68.1	158.6	0	0	0	110.8	T326 I327 I328 K332 M333 R334 I475	T326-I330 HydrophobicContact CG2-CD1 3.86Å; T326-I330 HydrophobicContact CG2-CG1 4.46Å; T326-I330 WeakPolarHBondContact O-CD1 3.39Å; T326-I330 WeakPolarHBondContact O-CG1 3.28Å; T326-I330 PolarHBondContact O-N 2.94Å; I327-I330 PolarHBondContact O-N 3.21Å; I328-I330 PolarHBondContact O-N 3.46Å; I330-K332 PolarHBondContact O-N 3.25Å; I330-M333 PolarHBondContact O-N 3.44Å; I330-R334 HydrophobicContact CG2-CG 4.42Å; I330-R334 WeakPolarHBondContact O-CB 3.32Å; I330-R334 VanDerWaalsContact O-CG 3.32Å; I330-R334 WeakPolarHBondContact O-CG 3.37Å; I330-R334 PolarHBondContact O-N 3.37Å; I330-I475 HydrophobicContact CD1-CD1 4.37Å; I330-I475 HydrophobicContact CD1-CG1 4.07Å; I330-I475 HydrophobicContact CG1-CD1 4.41Å; I330-I475 HydrophobicContact CG1-CG1 4.35Å
331	M	86.6	Confident	83.4	Confident	122 Å²	122	72.3 Å²	72.3	60%	0.601	34%	0.342	S	S	*	.	H	α-helix	trans	-60.5	-46	179.1	-71.3	177.1	73.2	0	0	111.7	I327 I328 I329 R334 Q335	I327-M331 HydrophobicContact CG2-CG 4.43Å; I327-M331 HydrophobicContact CG2-SD 3.97Å; I327-M331 VanDerWaalsContact O-CG 3.32Å; I327-M331 WeakPolarHBondContact O-CG 2.97Å; I327-M331 PolarHBondContact O-N 3.11Å; I328-M331 PolarHBondContact O-N 3.23Å; I329-M331 PolarHBondContact O-N 2.01Å; M331-R334 PolarHBondContact O-N 3.38Å; M331-Q335 PolarHBondContact O-N 3.16Å
332	K	86	Confident	82.8	Confident	80 Å²	80	78.9 Å²	78.9	35%	0.348	36%	0.363	S	S	.	.	H	α-helix	trans	-67.8	-41.3	179	-69.4	-65.7	179.2	-175	0	112.2	I217 I218 I328 I329 I330 R334 Q335 I336	I217-K332 HydrophobicContact CG2-CB 4.1Å; I218-K332 HydrophobicContact CG1-CG 4.5Å; I328-K332 HydrophobicContact CG2-CG 4.34Å; I328-K332 WeakPolarHBondContact O-CB 3.48Å; I328-K332 WeakPolarHBondContact O-CG 3.3Å; I328-K332 PolarHBondContact O-N 3.34Å; I329-K332 PolarHBondContact O-N 3.27Å; I330-K332 PolarHBondContact O-N 3.25Å; K332-R334 PolarHBondContact O-N 2.09Å; K332-Q335 WeakPolarHBondContact O-CB 3.15Å; K332-Q335 PolarHBondContact O-N 2.62Å; K332-I336 WeakPolarHBondContact O-CG1 3.42Å; K332-I336 PolarHBondContact O-N 3.28Å
333	M	77.9	Confident	82.5	Confident	29 Å²	29	83.2 Å²	83.2	14%	0.143	39%	0.386	C	S	.	.	H	α-helix	trans	-60.1	-44.2	173.6	-74.4	-62.6	-143.9	0	0	111.6	I217 I329 I330 Q335 I336 N337 F467	I217-M333 HydrophobicContact CD1-CE 3.6Å; I217-M333 HydrophobicContact CD1-CG 4.11Å; I217-M333 HydrophobicContact CD1-SD 3.94Å; I217-M333 HydrophobicContact CG1-CE 4.03Å; I217-M333 HydrophobicContact CG1-SD 4.21Å; I217-M333 HydrophobicContact CG2-SD 4.35Å; I329-M333 HydrophobicContact CG2-CG 4.22Å; I329-M333 WeakPolarHBondContact O-CB 3.38Å; I329-M333 VanDerWaalsContact O-CG 3.26Å; I329-M333 WeakPolarHBondContact O-CG 3.38Å; I329-M333 PolarHBondContact O-N 3.17Å; I330-M333 PolarHBondContact O-N 3.44Å; M333-Q335 VanDerWaalsContact C-N 3.33Å; M333-Q335 PolarHBondContact O-N 2.9Å; M333-I336 PolarHBondContact O-N 2.97Å; M333-N337 WeakPolarHBondContact O-CB 3.21Å; M333-N337 PolarHBondContact O-N 3.46Å; M333-F467 HydrophobicContact CE-CB 4.33Å; M333-F467 HydrophobicContact CE-CD1 4.13Å
334	R	82.3	Confident	82.1	Confident	174 Å²	174	83.5 Å²	83.5	66%	0.657	39%	0.39	S	S	*	.	H	α-helix	trans	-61.2	-40.3	175	-74.7	178.1	177.1	-169.6	0.1	111.9	I330 M331 K332 N337 K338	I330-R334 HydrophobicContact CG2-CG 4.42Å; I330-R334 WeakPolarHBondContact O-CB 3.32Å; I330-R334 VanDerWaalsContact O-CG 3.32Å; I330-R334 WeakPolarHBondContact O-CG 3.37Å; I330-R334 PolarHBondContact O-N 3.37Å; M331-R334 PolarHBondContact O-N 3.38Å; K332-R334 PolarHBondContact O-N 2.09Å; R334-N337 PolarHBondContact O-N 3.15Å; R334-K338 WeakPolarHBondContact O-CG 3.26Å; R334-K338 PolarHBondContact O-N 2.94Å
335	Q	85	Confident	81.3	Confident	91 Å²	91	87.4 Å²	87.4	43%	0.425	40%	0.399	S	S	.	.	H	α-helix	trans	-64.8	-44.4	177.2	-169.4	-179.8	13.4	0	0	112	M331 K332 M333 N337 K338 K339	M331-Q335 PolarHBondContact O-N 3.16Å; K332-Q335 WeakPolarHBondContact O-CB 3.15Å; K332-Q335 PolarHBondContact O-N 2.62Å; M333-Q335 VanDerWaalsContact C-N 3.33Å; M333-Q335 PolarHBondContact O-N 2.9Å; Q335-N337 VanDerWaalsContact C-N 3.35Å; Q335-K338 PolarHBondContact O-N 3.14Å; Q335-K339 WeakPolarHBondContact O-CG 3.37Å; Q335-K339 PolarHBondContact O-N 3.37Å; Q335-K339 VanDerWaalsContact O-N 3.1Å
336	I	78.2	Confident	80.4	Confident	84 Å²	84	87.6 Å²	87.6	43%	0.431	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-42.4	176.5	-67.5	166.7	0	0	0	110.3	I217 K332 M333 K338 K339 H340	I217-I336 HydrophobicContact CG2-CD1 3.65Å; K332-I336 WeakPolarHBondContact O-CG1 3.42Å; K332-I336 PolarHBondContact O-N 3.28Å; M333-I336 PolarHBondContact O-N 2.97Å; I336-K338 PolarHBondContact O-N 3.19Å; I336-K339 PolarHBondContact O-N 3.22Å; I336-H340 WeakPolarHBondContact O-CB 3.31Å; I336-H340 PolarHBondContact O-N 3.02Å
337	N	75.3	Confident	79.6	Confident	63 Å²	63	93.6 Å²	93.6	34%	0.337	43%	0.433	S	S	.	.	H	α-helix	trans	-62.7	-42.3	177.9	-170.7	35.7	0	0	0	112.2	M333 R334 Q335 K339 H340 L341	M333-N337 WeakPolarHBondContact O-CB 3.21Å; M333-N337 PolarHBondContact O-N 3.46Å; R334-N337 PolarHBondContact O-N 3.15Å; Q335-N337 VanDerWaalsContact C-N 3.35Å; N337-K339 PolarHBondContact O-N 2.89Å; N337-H340 PolarHBondContact O-N 3.31Å; N337-L341 WeakPolarHBondContact O-CB 3.16Å; N337-L341 PolarHBondContact O-N 3.35Å
338	K	82.2	Confident	78.5	Confident	159 Å²	159	94.1 Å²	94.1	69%	0.691	44%	0.436	S	S	*	.	H	α-helix	trans	-59.2	-45.2	173.6	-74.4	-179.2	179.6	-172.7	0	111.7	R334 Q335 I336 L341 W342	R334-K338 WeakPolarHBondContact O-CG 3.26Å; R334-K338 PolarHBondContact O-N 2.94Å; Q335-K338 PolarHBondContact O-N 3.14Å; I336-K338 PolarHBondContact O-N 3.19Å; K338-L341 PolarHBondContact O-N 3.23Å; K338-W342 WeakPolarHBondContact O-CB 3.46Å; K338-W342 PolarHBondContact O-N 3.08Å
339	K	80.6	Confident	77.2	Confident	130 Å²	130	97.2 Å²	97.2	57%	0.565	45%	0.452	S	S	*	.	H	α-helix	trans	-62.9	-42.1	175.6	-71.1	-177.3	178.3	-174	0	112	Q335 I336 N337 W342 L343	Q335-K339 WeakPolarHBondContact O-CG 3.37Å; Q335-K339 PolarHBondContact O-N 3.37Å; Q335-K339 VanDerWaalsContact O-N 3.1Å; I336-K339 PolarHBondContact O-N 3.22Å; N337-K339 PolarHBondContact O-N 2.89Å; K339-W342 PolarHBondContact O-N 2.65Å; K339-L343 VanDerWaalsContact O-CG 3.3Å; K339-L343 WeakPolarHBondContact O-CG 3.39Å; K339-L343 PolarHBondContact O-N 2.84Å
340	H	74.2	Confident	76	Confident	80 Å²	80	102.1 Å²	102.1	37%	0.37	48%	0.478	S	S	.	.	H	α-helix	trans	-64.2	-43.7	177.8	-174.2	-84.1	0	0	0	111.9	I336 N337 W342 L343 T344	I336-H340 WeakPolarHBondContact O-CB 3.31Å; I336-H340 PolarHBondContact O-N 3.02Å; N337-H340 PolarHBondContact O-N 3.31Å; H340-W342 VanDerWaalsContact C-N 3.33Å; H340-W342 PolarHBondContact O-N 3.29Å; H340-L343 PolarHBondContact O-N 3.25Å; H340-T344 PolarHBondContact CE1-OG1 3.27Å; H340-T344 PolarHBondContact ND1-OG1 3.31Å; H340-T344 WeakPolarHBondContact O-CB 3.47Å; H340-T344 PolarHBondContact O-N 3.27Å; H340-T344 PolarHBondContact O-OG1 3.11Å
341	L	74.3	Confident	75	Confident	88 Å²	88	106.4 Å²	106.4	46%	0.461	50%	0.497	S	S	.	.	H	α-helix	trans	-60.7	-43.9	175.3	-165.1	89.8	0	0	0	111.1	N337 K338 T344 R345	N337-L341 WeakPolarHBondContact O-CB 3.16Å; N337-L341 PolarHBondContact O-N 3.35Å; K338-L341 PolarHBondContact O-N 3.23Å; L341-T344 PolarHBondContact O-N 2.79Å; L341-R345 WeakPolarHBondContact O-CB 3.43Å; L341-R345 WeakPolarHBondContact O-CG 3.4Å; L341-R345 PolarHBondContact O-N 2.86Å
342	W	79	Confident	73.2	Confident	198 Å²	198	109.3 Å²	109.3	75%	0.75	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-45.2	178.3	-166.5	82.1	0	0	0	112.1	K338 K339 H340 T344 R345 G346	K338-W342 WeakPolarHBondContact O-CB 3.46Å; K338-W342 PolarHBondContact O-N 3.08Å; K339-W342 PolarHBondContact O-N 2.65Å; H340-W342 VanDerWaalsContact C-N 3.33Å; H340-W342 PolarHBondContact O-N 3.29Å; W342-T344 PolarHBondContact O-N 2.84Å; W342-R345 PolarHBondContact O-N 3.4Å; W342-G346 PolarHBondContact O-N 2.95Å
343	L	78.6	Confident	71.7	Confident	98 Å²	98	109.1 Å²	109.1	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-67	-34.4	176.4	-69.2	170.9	0	0	0	113	K339 H340 K347	K339-L343 VanDerWaalsContact O-CG 3.3Å; K339-L343 WeakPolarHBondContact O-CG 3.39Å; K339-L343 PolarHBondContact O-N 2.84Å; H340-L343 PolarHBondContact O-N 3.25Å; L343-K347 WeakPolarHBondContact O-CB 3.32Å; L343-K347 VanDerWaalsContact O-CG 3.32Å; L343-K347 WeakPolarHBondContact O-CG 3.46Å; L343-K347 PolarHBondContact O-N 3.38Å
344	T	77.5	Confident	70.6	Confident	58 Å²	58	116.3 Å²	116.3	36%	0.356	54%	0.542	S	S	.	.	H	α-helix	trans	-71.7	-41.5	177.8	-52.5	0	0	0	0	110.8	H340 L341 W342 K347 L348	H340-T344 PolarHBondContact CE1-OG1 3.27Å; H340-T344 PolarHBondContact ND1-OG1 3.31Å; H340-T344 WeakPolarHBondContact O-CB 3.47Å; H340-T344 PolarHBondContact O-N 3.27Å; H340-T344 PolarHBondContact O-OG1 3.11Å; L341-T344 PolarHBondContact O-N 2.79Å; W342-T344 PolarHBondContact O-N 2.84Å; T344-K347 PolarHBondContact O-N 3.42Å; T344-L348 WeakPolarHBondContact O-CG 3.11Å; T344-L348 PolarHBondContact O-N 2.97Å
345	R	73.2	Confident	69	Low	164 Å²	164	112.4 Å²	112.4	62%	0.619	54%	0.538	S	S	*	.	H	α-helix	trans	-63.4	-44.3	172.3	-75	-178.3	174.9	-176.4	-2.1	111.8	L341 W342 K347 L348 L349	L341-R345 WeakPolarHBondContact O-CB 3.43Å; L341-R345 WeakPolarHBondContact O-CG 3.4Å; L341-R345 PolarHBondContact O-N 2.86Å; W342-R345 PolarHBondContact O-N 3.4Å; R345-K347 VanDerWaalsContact C-N 3.35Å; R345-K347 PolarHBondContact O-N 3.48Å; R345-L348 PolarHBondContact O-N 2.94Å; R345-L349 WeakPolarHBondContact O-CG 3.07Å; R345-L349 PolarHBondContact O-N 2.94Å
346	G	72.1	Confident	66.6	Low	27 Å²	27	114.8 Å²	114.8	28%	0.278	55%	0.553	S	S	.	*	H	α-helix	trans	-61.3	-39.7	176.3	0	0	0	0	0	113.2	W342 L349 L350	W342-G346 PolarHBondContact O-N 2.95Å; G346-L349 PolarHBondContact O-N 3.07Å; G346-L350 WeakPolarHBondContact O-CB 3.12Å; G346-L350 WeakPolarHBondContact O-CG 3.21Å; G346-L350 PolarHBondContact O-N 3.36Å
347	K	66.6	Low	64.7	Low	129 Å²	129	115.9 Å²	115.9	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-66.2	-39.1	174.3	-77.9	-179.5	-178.9	-175.1	0	112.9	L343 T344 R345 L350 Q351	L343-K347 WeakPolarHBondContact O-CB 3.32Å; L343-K347 VanDerWaalsContact O-CG 3.32Å; L343-K347 WeakPolarHBondContact O-CG 3.46Å; L343-K347 PolarHBondContact O-N 3.38Å; T344-K347 PolarHBondContact O-N 3.42Å; R345-K347 VanDerWaalsContact C-N 3.35Å; R345-K347 PolarHBondContact O-N 3.48Å; K347-L350 PolarHBondContact O-N 2.99Å; K347-Q351 VanDerWaalsContact O-CB 3.25Å; K347-Q351 WeakPolarHBondContact O-CB 3.46Å; K347-Q351 PolarHBondContact O-N 3.26Å
348	L	63	Low	62.7	Low	98 Å²	98	119.2 Å²	119.2	51%	0.513	59%	0.588	S	S	.	*	H	α-helix	trans	-65.9	-40.1	175.4	-73.6	169.5	0	0	0	111.7	T344 R345 Q351 Y352	T344-L348 WeakPolarHBondContact O-CG 3.11Å; T344-L348 PolarHBondContact O-N 2.97Å; R345-L348 PolarHBondContact O-N 2.94Å; L348-Q351 PolarHBondContact O-N 3.3Å; L348-Y352 WeakPolarHBondContact O-CB 3.36Å; L348-Y352 PolarHBondContact O-N 3.49Å
349	L	62.2	Low	60.2	Low	126 Å²	126	122.2 Å²	122.2	66%	0.66	60%	0.597	S	S	*	*	H	α-helix	trans	-66.9	-41.2	175.8	-69.6	172.9	0	0	0	112.3	R345 G346 Q351 Y352 S353	R345-L349 WeakPolarHBondContact O-CG 3.07Å; R345-L349 PolarHBondContact O-N 2.94Å; G346-L349 PolarHBondContact O-N 3.07Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; L349-Y352 PolarHBondContact O-N 2.97Å; L349-S353 WeakPolarHBondContact O-CB 3.45Å; L349-S353 PolarHBondContact O-N 3.24Å
350	L	59.7	Low	57.9	Low	107 Å²	107	125.2 Å²	125.2	56%	0.56	61%	0.61	S	S	*	*	H	α-helix	trans	-65.6	-37.9	174.5	-80.6	163.4	0	0	0	112	G346 K347 S353 K354	G346-L350 WeakPolarHBondContact O-CB 3.12Å; G346-L350 WeakPolarHBondContact O-CG 3.21Å; G346-L350 PolarHBondContact O-N 3.36Å; K347-L350 PolarHBondContact O-N 2.99Å; L350-S353 WeakPolarHBondContact CA-OG 3.22Å; L350-S353 PolarHBondContact O-N 2.71Å; L350-S353 PolarHBondContact O-OG 3.37Å; L350-K354 WeakPolarHBondContact O-CG 3.48Å; L350-K354 PolarHBondContact O-N 3.43Å; L350-K354 VanDerWaalsContact O-N 3.14Å
351	Q	59.8	Low	56	Low	130 Å²	130	129.5 Å²	129.5	61%	0.607	63%	0.63	S	S	*	*	H	α-helix	trans	-66.6	-42.3	175.7	-167.6	168.4	-20.3	0	0	111	K347 L348 L349 S353 K354 T355	K347-Q351 VanDerWaalsContact O-CB 3.25Å; K347-Q351 WeakPolarHBondContact O-CB 3.46Å; K347-Q351 PolarHBondContact O-N 3.26Å; L348-Q351 PolarHBondContact O-N 3.3Å; L349-Q351 VanDerWaalsContact C-N 3.34Å; Q351-S353 PolarHBondContact O-N 3.11Å; Q351-K354 PolarHBondContact O-N 3.18Å; Q351-T355 WeakPolarHBondContact O-CG2 3.29Å; Q351-T355 PolarHBondContact O-N 3.22Å; Q351-T355 PolarHBondContact O-OG1 3.42Å; Q351-T355 VanDerWaalsContact O-OG1 3.06Å
352	Y	50.2	Low	53.7	Low	182 Å²	182	131.8 Å²	131.8	71%	0.714	65%	0.647	S	S	*	*	H	α-helix	trans	-63.2	-38	173	-109.2	-92.7	0	0	0	113	L348 L349 K354 T355	L348-Y352 WeakPolarHBondContact O-CB 3.36Å; L348-Y352 PolarHBondContact O-N 3.49Å; L349-Y352 PolarHBondContact O-N 2.97Å; Y352-K354 VanDerWaalsContact C-N 3.32Å; Y352-K354 PolarHBondContact O-N 3.28Å; Y352-T355 PolarHBondContact O-N 3.11Å; Y352-T355 PolarHBondContact O-OG1 3.39Å
353	S	54.9	Low	51.5	Low	76 Å²	76	132.3 Å²	132.3	53%	0.531	66%	0.655	S	S	.	*	H	α-helix	trans	-69.7	-27.5	178.4	73.4	0	0	0	0	113.5	L349 L350 Q351	L349-S353 WeakPolarHBondContact O-CB 3.45Å; L349-S353 PolarHBondContact O-N 3.24Å; L350-S353 WeakPolarHBondContact CA-OG 3.22Å; L350-S353 PolarHBondContact O-N 2.71Å; L350-S353 PolarHBondContact O-OG 3.37Å; Q351-S353 PolarHBondContact O-N 3.11Å
354	K	54.7	Low	49	Very low	180 Å²	180	131.7 Å²	131.7	78%	0.783	66%	0.659	S	S	*	*	H	α-helix	trans	-86.9	-15	177.7	-73.7	-175.7	175.9	-172.1	0	113.3	L350 Q351 Y352	L350-K354 WeakPolarHBondContact O-CG 3.48Å; L350-K354 PolarHBondContact O-N 3.43Å; L350-K354 VanDerWaalsContact O-N 3.14Å; Q351-K354 PolarHBondContact O-N 3.18Å; Y352-K354 VanDerWaalsContact C-N 3.32Å; Y352-K354 PolarHBondContact O-N 3.28Å
355	T	47.9	Very low	46.8	Very low	92 Å²	92	138.7 Å²	138.7	56%	0.564	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	20.4	176.8	58	0	0	0	0	112.7	Q351 Y352 P357	Q351-T355 WeakPolarHBondContact O-CG2 3.29Å; Q351-T355 PolarHBondContact O-N 3.22Å; Q351-T355 PolarHBondContact O-OG1 3.42Å; Q351-T355 VanDerWaalsContact O-OG1 3.06Å; Y352-T355 PolarHBondContact O-N 3.11Å; Y352-T355 PolarHBondContact O-OG1 3.39Å; T355-P357 WeakPolarHBondContact O-CD 3.44Å
356	L	35.2	Very low	44.9	Very low	142 Å²	142	135.4 Å²	135.4	74%	0.743	68%	0.682	S	S	*	*			trans	-88.2	96.9	166.6	-153.1	80.1	0	0	0	107.7	T358	L356-T358 PolarHBondContact O-N 3.36Å
357	P	37.6	Very low	42.8	Very low	106 Å²	106	141.8 Å²	141.8	69%	0.688	71%	0.709	S	S	*	*			trans	-67.4	132	172.1	31.9	-33.4	0	0	0	107.2	T355 Y359	T355-P357 WeakPolarHBondContact O-CD 3.44Å; P357-Y359 VanDerWaalsContact C-N 3.34Å; P357-Y359 PolarHBondContact O-N 3Å
358	T	33.1	Very low	41.3	Very low	133 Å²	133	140.1 Å²	140.1	82%	0.816	71%	0.712	S	S	*	*			trans	-44.1	92.8	164.5	37.2	0	0	0	0	111.1	L356 K360	L356-T358 PolarHBondContact O-N 3.36Å; T358-K360 PolarHBondContact O-N 3.24Å
359	Y	29.2	Very low	40	Very low	223 Å²	223	142.6 Å²	142.6	88%	0.875	72%	0.724	S	S	*	*			trans	-78.9	75	157.5	-161.2	-96	0	0	0	106.7	P357 Q361	P357-Y359 VanDerWaalsContact C-N 3.34Å; P357-Y359 PolarHBondContact O-N 3Å; Y359-Q361 PolarHBondContact O-N 2.74Å
360	K	33	Very low	38.3	Very low	193 Å²	193	141.6 Å²	141.6	84%	0.839	72%	0.723	S	S	*	*			trans	-78.6	106.6	173	-141.6	179.3	-172.7	-176.9	0	106.6	T358 T362	T358-K360 PolarHBondContact O-N 3.24Å; K360-T362 PolarHBondContact O-N 3.42Å
361	Q	33.8	Very low	37	Very low	170 Å²	170	146.9 Å²	146.9	79%	0.794	74%	0.737	S	S	*	*			trans	-47.9	128.3	173.5	-143.9	168.4	9.1	0	0	110.3	Y359 K363	Y359-Q361 PolarHBondContact O-N 2.74Å; Q361-K363 PolarHBondContact O-N 2.99Å
362	T	27.2	Very low	35.6	Very low	135 Å²	135	148.6 Å²	148.6	83%	0.828	74%	0.742	S	S	*	*			trans	-54.5	118.8	171.7	33.2	0	0	0	0	111	K360	K360-T362 PolarHBondContact O-N 3.42Å
363	K	31.7	Very low	34.8	Very low	210 Å²	210	147.1 Å²	147.1	91%	0.913	74%	0.742	S	S	*	*			trans	-153.7	135.2	148.1	-109.6	172.8	-174.2	-178.9	0	109.5	Q361	Q361-K363 PolarHBondContact O-N 2.99Å
364	S	27.6	Very low	33.6	Very low	84 Å²	84	147.5 Å²	147.5	59%	0.587	74%	0.744	S	S	*	*			trans	-66.8	171.1	-164.7	33.7	0	0	0	0	115.7
365	Y	31.3	Very low	32.5	Very low	205 Å²	205	146.8 Å²	146.8	80%	0.804	75%	0.748	S	S	*	*			trans	108	87.4	160.8	-53.6	-69.8	0	0	0	117.8
366	S	31.9	Very low	31.6	Very low	95 Å²	95	147.6 Å²	147.6	66%	0.664	76%	0.758	S	S	*	*				64.4	108	118.9	60.3	0	0	0	0	122.3
367	L	29.3	Very low	31.5	Very low	162 Å²	162	146.4 Å²	146.4	85%	0.848	76%	0.758	S	S	*	*				79.7	155.5	117.6	-87.9	164.1	0	0	0	120.1
368	P	34.4	Very low	31.2	Very low	94 Å²	94	150.7 Å²	150.7	61%	0.61	77%	0.769	S	S	*	*				-128.7	-169.2	-103.7	45.3	-29.5	0	0	0	112.4
369	I	34.9	Very low	30.8	Very low	149 Å²	149	150 Å²	150	76%	0.764	77%	0.765	S	S	*	*			trans	-178.5	109.5	134.3	-85.7	146.4	0	0	0	110.5
370	T	27.5	Very low	30.9	Very low	105 Å²	105	146.3 Å²	146.3	64%	0.644	77%	0.766	S	S	*	*				33.9	130.9	126.4	-17	0	0	0	0	122.6
371	Y	32.7	Very low	30.5	Very low	219 Å²	219	144.5 Å²	144.5	86%	0.859	77%	0.765	S	S	*	*				173.5	102.6	122.6	-91.6	-72.5	0	0	0	107.3
372	K	29.7	Very low	30.2	Very low	165 Å²	165	143.4 Å²	143.4	72%	0.717	77%	0.77	S	S	*	*				86.4	132.6	62.3	-141	-174.9	-170	-171	0	114.2
373	H	33	Very low	30	Very low	152 Å²	152	142.2 Å²	142.2	70%	0.704	77%	0.768	S	S	*	*			trans	89.2	138.4	163.7	-75.7	-79.7	0	0	0	120.2
374	S	30.1	Very low	29.9	Very low	84 Å²	84	142.2 Å²	142.2	59%	0.587	77%	0.768	S	S	*	*			cis	176.5	151.6	-26.3	44.2	0	0	0	0	109.8
375	L	31.8	Very low	29.8	Very low	164 Å²	164	146 Å²	146	86%	0.859	78%	0.776	S	S	*	*			trans	83.3	100.5	147	-97.5	82.9	0	0	0	122.6
376	S	27.9	Very low	29.7	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	78%	0.782	S	S	*	*				64	136.4	113.5	-150.5	0	0	0	0	123.9
377	P	33.7	Very low	29.3	Very low	117 Å²	117	148.1 Å²	148.1	76%	0.76	79%	0.786	S	S	*	*			trans	-102.6	166.5	178.2	41.1	-33.9	0	0	0	113.9
378	E	31.6	Very low	29.3	Very low	196 Å²	196	147.9 Å²	147.9	92%	0.916	78%	0.784	S	S	*	*			trans	-137.3	140.2	162.5	-103.7	179.8	179.6	0	0	112.4
379	T	25.5	Very low	28.9	Very low	119 Å²	119	149.2 Å²	149.2	73%	0.73	79%	0.791	S	S	*	*			trans	-75	155	-177.3	44.2	0	0	0	0	114.2
380	T	30.3	Very low	28.7	Very low	146 Å²	146	149.3 Å²	149.3	90%	0.896	79%	0.791	S	S	*	*				177.4	138.7	122.6	27.3	0	0	0	0	113.7
381	N	23.7	Very low	28.6	Very low	154 Å²	154	150 Å²	150	82%	0.824	79%	0.791	S	S	*	*			trans	-69.2	153.3	173.9	-72	-38.7	0	0	0	112.6
382	T	29.2	Very low	28.5	Very low	147 Å²	147	148.9 Å²	148.9	90%	0.902	79%	0.79	S	S	*	*				-177.9	140.6	125.8	23.4	0	0	0	0	112.8
383	S	23.2	Very low	28.3	Very low	110 Å²	110	151.3 Å²	151.3	77%	0.769	80%	0.795	S	S	*	*			trans	-71.4	147.9	178	52.5	0	0	0	0	114.6
384	K	29.5	Very low	28.1	Very low	210 Å²	210	152.8 Å²	152.8	91%	0.913	80%	0.802	S	S	*	*			trans	-167	138.8	135	-110.1	169	-177	179.2	0	112.4
385	Q	24.8	Very low	28	Very low	164 Å²	164	160.2 Å²	160.2	77%	0.766	82%	0.819	S	S	*	*			trans	-67.1	147.3	176.6	-71.2	152.3	-55.3	0	0	111.8
386	D	28.8	Very low	27.7	Very low	175 Å²	175	164.2 Å²	164.2	94%	0.936	82%	0.822	S	S	*	*			trans	-138	129.7	150	-88.6	-35.4	0	0	0	110.8
387	F	24.8	Very low	27.7	Very low	170 Å²	170	165.8 Å²	165.8	75%	0.746	83%	0.827	S	S	*	*			trans	-75	140.5	179.1	-93.5	-106.7	0	0	0	111.8	T389	F387-T389 HydrophobicContact CD1-CG2 4.5Å
388	I	28.7	Very low	27.6	Very low	157 Å²	157	170.3 Å²	170.3	81%	0.805	84%	0.835	S	S	*	*			trans	-136.9	111.5	145.8	-60.2	-178.2	0	0	0	109	I390	I388-I390 HydrophobicContact CG2-CG1 4.45Å
389	T	25.5	Very low	27.7	Very low	121 Å²	121	165.7 Å²	165.7	74%	0.742	82%	0.824	S	S	*	*			trans	-81.8	132.7	170.3	26.9	0	0	0	0	110.9	F387	F387-T389 HydrophobicContact CD1-CG2 4.5Å
390	I	31.1	Very low	28.2	Very low	152 Å²	152	169.5 Å²	169.5	78%	0.779	83%	0.83	S	S	*	*			trans	-133.9	116.2	160.7	-61.4	180	0	0	0	109.1	I388	I388-I390 HydrophobicContact CG2-CG1 4.45Å
391	D	25.5	Very low	28.6	Very low	118 Å²	118	169.5 Å²	169.5	63%	0.631	82%	0.824	S	S	*	*			trans	-79.2	135.3	178	-173.1	5	0	0	0	111.9	R393	D391-R393 PolarHBondContact OD1-N 3.19Å; D391-R393 VanDerWaalsContact OD1-N 3.14Å
392	K	30.4	Very low	29.8	Very low	196 Å²	196	168.1 Å²	168.1	85%	0.852	82%	0.817	S	S	*	*			trans	-147.2	66.4	161.1	-77.1	-165.8	178.5	173.2	0	111.3	H394	K392-H394 PolarHBondContact O-N 2.9Å; K392-H394 VanDerWaalsContact O-N 3.08Å
393	R	24.9	Very low	30.7	Very low	216 Å²	216	162 Å²	162	82%	0.815	78%	0.78	S	S	*	*			trans	-63.5	89.1	156	-69.5	176.6	-166	-174.8	3.7	110.5	D391	D391-R393 PolarHBondContact OD1-N 3.19Å; D391-R393 VanDerWaalsContact OD1-N 3.14Å
394	H	29.5	Very low	32	Very low	183 Å²	183	163.4 Å²	163.4	85%	0.847	77%	0.773	S	S	*	*			trans	-166.1	32.2	163.7	-114.2	55.4	0	0	0	117.7	K392	K392-H394 PolarHBondContact O-N 2.9Å; K392-H394 VanDerWaalsContact O-N 3.08Å
395	Y	27.6	Very low	32.7	Very low	241 Å²	241	156.3 Å²	156.3	95%	0.945	75%	0.747	S	S	*	*			trans	-133.3	33.7	-177.2	-106.1	-83.9	0	0	0	116.4
396	R	25.2	Very low	33.4	Very low	248 Å²	248	150.7 Å²	150.7	94%	0.936	73%	0.725	S	S	*	*			trans	-104.4	10.5	-167.9	-133.7	-178.9	-167.5	-172.7	3.2	119
397	V	29.3	Very low	34.2	Very low	142 Å²	142	148.1 Å²	148.1	86%	0.861	71%	0.711	S	S	*	*	S	Bend	trans	-136.1	29.1	-169.3	-158.9	0	0	0	0	116.7
398	K	30.3	Very low	35.3	Very low	212 Å²	212	147.2 Å²	147.2	92%	0.922	71%	0.711	S	S	*	*	S	Bend	trans	-132.5	13.9	-178.1	-126.8	172.2	-174.5	173.1	0	118.6
399	S	34.6	Very low	35.9	Very low	98 Å²	98	142.8 Å²	142.8	69%	0.685	69%	0.691	S	S	*	*			trans	-115.5	9.4	-171.3	72.9	0	0	0	0	117
400	K	35.6	Very low	36.4	Very low	199 Å²	199	144.5 Å²	144.5	87%	0.865	70%	0.695	S	S	*	*	S	Bend	trans	-88.4	2.9	-168.9	-88.6	-172.2	175.2	-176.3	0	117.3
401	L	39.4	Very low	36.6	Very low	147 Å²	147	146.7 Å²	146.7	77%	0.77	70%	0.699	S	S	*	*			trans	-133	60.6	-176.3	-103	101.2	0	0	0	114.1
402	N	48	Very low	36.8	Very low	125 Å²	125	146.6 Å²	146.6	67%	0.668	70%	0.703	S	S	*	*			trans	-115.7	11.2	-173.7	-78.5	-16.6	0	0	0	116.2
403	C	48.4	Very low	36.6	Very low	19 Å²	19	144.5 Å²	144.5	13%	0.128	70%	0.701	C	S	.	*			trans	-151.5	141.6	-175.6	176.2	0	0	0	0	113.4	T405 C406 L603 C606	C403-T405 VanDerWaalsContact C-N 3.31Å; C403-T405 PolarHBondContact O-N 3.46Å; C403-C406 PolarHBondContact O-N 2.81Å; C403-L603 PolarHBondContact SG-O 3.37Å; C403-C606 HydrophobicContact CB-CB 3.82Å; C403-C606 WeakPolarHBondContact CB-SG 3.22Å; C403-C606 WeakPolarHBondContact SG-CA 3.25Å; C403-C606 WeakPolarHBondContact SG-CB 3.32Å; C403-C606 PolarHBondContact SG-N 3.41Å; C403-C606 CovalentContact SG-SG 2.01Å; C403-C606 PolarHBondContact SG-SG 3.07Å
404	F	51.3	Low	36.7	Very low	139 Å²	139	140.2 Å²	140.2	61%	0.61	70%	0.699	S	S	*	*	S	Bend	trans	-62.1	-35.1	-176.1	-113.6	-85.6	0	0	0	112.6	L407 M408	F404-L407 VanDerWaalsContact O-CB 3.31Å; F404-L407 WeakPolarHBondContact O-CB 3.32Å; F404-L407 PolarHBondContact O-N 2.83Å; F404-L407 VanDerWaalsContact O-N 3.12Å; F404-M408 PolarHBondContact O-N 3.24Å
405	T	43	Very low	36.5	Very low	61 Å²	61	138.3 Å²	138.3	37%	0.374	70%	0.695	S	S	.	*	H	α-helix	trans	-67.2	-40.4	-179	-26.1	0	0	0	0	111.5	C403 L407 M408 T409 F604 C606	C403-T405 VanDerWaalsContact C-N 3.31Å; C403-T405 PolarHBondContact O-N 3.46Å; T405-L407 PolarHBondContact O-N 3.09Å; T405-L407 VanDerWaalsContact O-N 3.14Å; T405-M408 PolarHBondContact O-N 2.93Å; T405-T409 HydrophobicContact CG2-CG2 3.97Å; T405-T409 WeakPolarHBondContact O-CG2 3.21Å; T405-T409 PolarHBondContact O-N 3.4Å; T405-T409 PolarHBondContact O-OG1 2.92Å; T405-F604 PolarHBondContact OG1-O 2.82Å; T405-F604 VanDerWaalsContact OG1-O 3.11Å; T405-C606 WeakPolarHBondContact CB-SG 3.43Å; T405-C606 PolarHBondContact OG1-SG 3.2Å
406	C	40.5	Very low	36.7	Very low	45 Å²	45	136 Å²	136	30%	0.304	69%	0.69	S	S	.	*	H	α-helix	trans	-70.3	-9.4	176.8	-44.6	0	0	0	0	112.3	C403 C606 C608	C403-C406 PolarHBondContact O-N 2.81Å; C406-C606 PolarHBondContact N-SG 2.67Å; C406-C606 VanDerWaalsContact SG-CB 3.51Å; C406-C606 PolarHBondContact SG-SG 2.87Å; C406-C608 WeakPolarHBondContact CB-SG 3.37Å; C406-C608 WeakPolarHBondContact SG-CB 3Å; C406-C608 CovalentContact SG-SG 2.09Å; C406-C608 PolarHBondContact SG-SG 3.2Å
407	L	45.2	Very low	36.7	Very low	122 Å²	122	131.3 Å²	131.3	64%	0.639	68%	0.683	S	S	*	*	H	α-helix	trans	-87.3	-26.8	171.1	-112.2	147	0	0	0	112.6	F404 T405	F404-L407 VanDerWaalsContact O-CB 3.31Å; F404-L407 WeakPolarHBondContact O-CB 3.32Å; F404-L407 PolarHBondContact O-N 2.83Å; F404-L407 VanDerWaalsContact O-N 3.12Å; T405-L407 PolarHBondContact O-N 3.09Å; T405-L407 VanDerWaalsContact O-N 3.14Å
408	M	48.5	Very low	36.9	Very low	151 Å²	151	131.9 Å²	131.9	74%	0.744	68%	0.681	S	S	*	*	H	α-helix	trans	-97	-27.2	-178.5	-69.7	-70.1	-74.8	0	0	113.4	F404 T405 N410	F404-M408 PolarHBondContact O-N 3.24Å; T405-M408 PolarHBondContact O-N 2.93Å; M408-N410 PolarHBondContact O-N 3.12Å
409	T	40.5	Very low	36.8	Very low	63 Å²	63	129.7 Å²	129.7	39%	0.387	68%	0.68	S	S	.	*			trans	-87.1	9.6	-172	54.3	0	0	0	0	115.5	T405 K411	T405-T409 HydrophobicContact CG2-CG2 3.97Å; T405-T409 WeakPolarHBondContact O-CG2 3.21Å; T405-T409 PolarHBondContact O-N 3.4Å; T405-T409 PolarHBondContact O-OG1 2.92Å; T409-K411 PolarHBondContact O-N 3.14Å
410	N	35.7	Very low	36.7	Very low	157 Å²	157	133.8 Å²	133.8	84%	0.84	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	19.2	-178.3	-137.1	14.9	0	0	0	114	M408	M408-N410 PolarHBondContact O-N 3.12Å
411	K	35.4	Very low	36.7	Very low	199 Å²	199	131.3 Å²	131.3	87%	0.865	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.9	1.4	-176.5	-114.3	-178	-179.4	-177.2	0	117.3	T409	T409-K411 PolarHBondContact O-N 3.14Å
412	T	29.9	Very low	36.3	Very low	115 Å²	115	132.4 Å²	132.4	71%	0.706	68%	0.683	S	S	*	*			trans	-150.9	84.5	-176.7	50.9	0	0	0	0	111.1
413	N	26.8	Very low	35.8	Very low	152 Å²	152	134.9 Å²	134.9	81%	0.813	69%	0.69	S	S	*	*			trans	-124.6	85	170.7	-88.2	-8.1	0	0	0	109.1
414	T	26.7	Very low	35.2	Very low	126 Å²	126	140 Å²	140	77%	0.773	72%	0.716	S	S	*	*			trans	-159	132.2	154.9	38.7	0	0	0	0	108.7
415	L	25.5	Very low	34.5	Very low	144 Å²	144	138.4 Å²	138.4	75%	0.754	71%	0.713	S	S	*	*			trans	72.5	103	173.2	-75.3	81.3	0	0	0	117.5
416	F	30.2	Very low	34.2	Very low	191 Å²	191	141.9 Å²	141.9	84%	0.838	73%	0.725	S	S	*	*				172.3	101.7	107.1	-101.8	-82.4	0	0	0	108.9
417	N	26.4	Very low	33.8	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	74%	0.738	S	S	*	*			trans	-77.3	133.2	153.1	-85.4	-17.9	0	0	0	106.5
418	D	32.9	Very low	33.5	Very low	154 Å²	154	146.1 Å²	146.1	82%	0.824	74%	0.744	S	S	*	*			trans	177.5	85.6	139.2	-85.4	-16.1	0	0	0	109.2
419	D	28.6	Very low	32.8	Very low	167 Å²	167	145.7 Å²	145.7	89%	0.893	74%	0.744	S	S	*	*			trans	-98.6	97.8	165	-101.6	-33.7	0	0	0	107.2
420	Q	32.3	Very low	32.5	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	76%	0.764	S	S	*	*			trans	-152.5	1.6	169	-124.5	159	0.8	0	0	119.6
421	D	34.7	Very low	32.6	Very low	148 Å²	148	151 Å²	151	79%	0.791	76%	0.763	S	S	*	*	S	Bend	trans	-117	-7.6	-172.3	-78.7	-32.9	0	0	0	117.6
422	F	31.9	Very low	32.7	Very low	170 Å²	170	150.5 Å²	150.5	75%	0.746	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-89.9	-15	-172.7	-151.8	-102.9	0	0	0	115.1	N424	F422-N424 PolarHBondContact O-N 3.06Å
423	H	37.2	Very low	33	Very low	176 Å²	176	152.3 Å²	152.3	82%	0.815	77%	0.766	S	S	*	*	G	3₁₀ helix	trans	-82.5	-8.4	-173.8	-108.2	-71.2	0	0	0	114.9
424	N	35.3	Very low	33.4	Very low	126 Å²	126	149.7 Å²	149.7	67%	0.674	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-101.1	-6.3	-173.1	-138.2	-1.8	0	0	0	114.7	F422	F422-N424 PolarHBondContact O-N 3.06Å
425	I	37.6	Very low	33.8	Very low	106 Å²	106	149.6 Å²	149.6	54%	0.544	76%	0.759	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.5	-26.9	-177.2	-67.8	163.6	0	0	0	111.8	S427 K428 L429	I425-S427 VanDerWaalsContact C-N 3.32Å; I425-S427 PolarHBondContact O-N 2.97Å; I425-K428 PolarHBondContact O-N 2.94Å; I425-L429 HydrophobicContact CG2-CD1 4.24Å
426	Q	35.6	Very low	34.2	Very low	135 Å²	135	149.9 Å²	149.9	63%	0.631	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-20.5	-178.1	-158.8	168.8	-5.1	0	0	113.4
427	S	33.7	Very low	34.5	Very low	81 Å²	81	143.6 Å²	143.6	57%	0.566	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-19.4	177.3	62	0	0	0	0	113.9	I425	I425-S427 VanDerWaalsContact C-N 3.32Å; I425-S427 PolarHBondContact O-N 2.97Å
428	K	37.7	Very low	34.8	Very low	175 Å²	175	143.1 Å²	143.1	76%	0.761	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-15.4	-177	-82.7	-179.4	175.2	176.6	0	115.1	I425	I425-K428 PolarHBondContact O-N 2.94Å
429	L	34.1	Very low	34.8	Very low	141 Å²	141	144 Å²	144	74%	0.738	74%	0.743	S	S	*	*	S	Bend	trans	-95.9	-6.2	-174.2	-93.3	148.8	0	0	0	115	I425	I425-L429 HydrophobicContact CG2-CD1 4.24Å
430	L	35	Very low	35.1	Very low	156 Å²	156	142.7 Å²	142.7	82%	0.817	74%	0.736	S	S	*	*	S	Bend	trans	-91.6	6	-178.5	-99.2	151.5	0	0	0	114.4
431	H	37.1	Very low	35	Very low	176 Å²	176	141 Å²	141	82%	0.815	73%	0.733	S	S	*	*	S	Bend	trans	-96.9	11.5	-169.7	-139.9	-64.6	0	0	0	115.5
432	K	37.2	Very low	34.8	Very low	188 Å²	188	137.7 Å²	137.7	82%	0.817	73%	0.733	S	S	*	*	S	Bend	trans	-146.3	43.3	-165.3	-136.5	179.3	-173.1	-177.1	0	117.4
433	N	37	Very low	34.7	Very low	154 Å²	154	134.3 Å²	134.3	82%	0.824	73%	0.731	S	S	*	*			trans	-153.8	89.6	159.2	-90.7	-30.4	0	0	0	111.2
434	S	34.5	Very low	34.4	Very low	97 Å²	97	132.2 Å²	132.2	68%	0.678	73%	0.73	S	S	*	*			trans	-98.2	24.4	-160.9	52.9	0	0	0	0	115.9
435	T	36.2	Very low	33.9	Very low	124 Å²	124	133.2 Å²	133.2	76%	0.761	74%	0.735	S	S	*	*	S	Bend	trans	-125.4	-10.8	-177.6	30	0	0	0	0	115.6
436	L	33.5	Very low	33.6	Very low	150 Å²	150	137.6 Å²	137.6	79%	0.785	75%	0.753	S	S	*	*	S	Bend	trans	-103.8	-15.8	174.1	-134.8	87	0	0	0	114	I438	L436-I438 VanDerWaalsContact C-N 3.31Å
437	A	35.4	Very low	33.2	Very low	58 Å²	58	139.6 Å²	139.6	48%	0.479	76%	0.763	S	S	.	*	G	3₁₀ helix	trans	-77.2	-16.3	179.5	0	0	0	0	0	113.5	L439 L440 N441	A437-L439 VanDerWaalsContact C-N 3.31Å; A437-L439 PolarHBondContact O-N 3.27Å; A437-L440 PolarHBondContact O-N 3.49Å; A437-N441 PolarHBondContact O-N 2.72Å
438	I	34.4	Very low	32.9	Very low	140 Å²	140	144 Å²	144	72%	0.718	78%	0.778	S	S	*	*	G	3₁₀ helix	trans	-75.7	-16	-175.4	-63	174.7	0	0	0	112.5	L436	L436-I438 VanDerWaalsContact C-N 3.31Å
439	L	31.7	Very low	32.4	Very low	172 Å²	172	143.7 Å²	143.7	90%	0.901	78%	0.779	S	S	*	*	G	3₁₀ helix	trans	-91.8	-7.6	170.1	-81.9	166	0	0	0	113.9	A437	A437-L439 VanDerWaalsContact C-N 3.31Å; A437-L439 PolarHBondContact O-N 3.27Å
440	L	35	Very low	32	Very low	141 Å²	141	145.7 Å²	145.7	74%	0.738	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-4.1	-168.5	-79.6	164.4	0	0	0	115.4	A437	A437-L440 PolarHBondContact O-N 3.49Å
441	N	29.8	Very low	31.6	Very low	148 Å²	148	142.7 Å²	142.7	79%	0.791	78%	0.777	S	S	*	*			trans	-133.6	90.1	177.2	-98.3	-4.8	0	0	0	113.3	A437 S443	A437-N441 PolarHBondContact O-N 2.72Å; N441-S443 PolarHBondContact O-N 2.68Å
442	G	30.1	Very low	31	Very low	77 Å²	77	141.7 Å²	141.7	79%	0.794	78%	0.778	S	S	*	*			trans	-83.3	92.7	154.5	0	0	0	0	0	109.8
443	S	31.3	Very low	30.6	Very low	100 Å²	100	140.3 Å²	140.3	70%	0.699	78%	0.778	S	S	*	*			trans	42.1	112.2	142.6	63.3	0	0	0	0	119.1	N441	N441-S443 PolarHBondContact O-N 2.68Å
444	V	30.3	Very low	30.2	Very low	132 Å²	132	141 Å²	141	80%	0.8	78%	0.775	S	S	*	*				82.2	113.9	83.5	171.2	0	0	0	0	112.9
445	N	25.2	Very low	30	Very low	147 Å²	147	141.2 Å²	141.2	79%	0.786	78%	0.777	S	S	*	*			trans	21.2	120.5	148.2	-58.2	-16.7	0	0	0	119.4
446	E	30.6	Very low	29.9	Very low	197 Å²	197	139.7 Å²	139.7	92%	0.921	77%	0.768	S	S	*	*				-157.1	123.9	129.5	-111.9	170.3	-165.4	0	0	110.3
447	H	26.8	Very low	29.9	Very low	178 Å²	178	136 Å²	136	82%	0.824	75%	0.753	S	S	*	*			trans	-60.5	136	164.6	-99.1	-96.9	0	0	0	108.9
448	I	28.4	Very low	29.7	Very low	173 Å²	173	140.1 Å²	140.1	89%	0.887	77%	0.766	S	S	*	*			trans	-175.2	137.7	133.3	-89.2	147.7	0	0	0	108.7
449	Q	26	Very low	29.6	Very low	168 Å²	168	143.5 Å²	143.5	79%	0.785	77%	0.77	S	S	*	*			trans	-71.5	160.4	-172.3	-129.9	149.8	-53.8	0	0	112.8
450	E	26.9	Very low	29.8	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	76%	0.755	S	S	*	*			trans	81.1	135.4	167.4	-61.3	177.8	161	0	0	117.1
451	S	25.4	Very low	29.8	Very low	94 Å²	94	144.3 Å²	144.3	66%	0.657	76%	0.756	S	S	*	*			cis	-168.4	141.4	-14.2	50.5	0	0	0	0	105.4
452	N	24.9	Very low	30.3	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	74%	0.742	S	S	*	*	S	Bend	trans	49.9	71.5	159.4	-63.7	-23.1	0	0	0	120.2
453	I	30	Very low	31.2	Very low	159 Å²	159	141.8 Å²	141.8	82%	0.815	73%	0.727	S	S	*	*			trans	-153.6	-4.1	153.6	-93.7	132.2	0	0	0	114.8
454	Q	28.7	Very low	32.2	Very low	167 Å²	167	139 Å²	139	78%	0.78	71%	0.705	S	S	*	*			trans	-107.2	19.9	-160.4	-135	163.7	4.5	0	0	117.9	T456 P457	Q454-T456 PolarHBondContact O-N 2.72Å; Q454-P457 WeakPolarHBondContact O-CD 3.25Å
455	S	28.5	Very low	33.2	Very low	103 Å²	103	136.6 Å²	136.6	72%	0.72	69%	0.691	S	S	*	*	S	Bend	trans	-83.8	-5	-176.3	61.5	0	0	0	0	115.8
456	T	34.8	Very low	34.8	Very low	91 Å²	91	134 Å²	134	56%	0.558	67%	0.674	S	S	*	*	S	Bend	trans	-96.6	-26.3	-171.2	56.3	0	0	0	0	117.7	Q454	Q454-T456 PolarHBondContact O-N 2.72Å
457	P	34.1	Very low	36	Very low	74 Å²	74	129.2 Å²	129.2	48%	0.481	65%	0.65	S	S	.	*	H	α-helix	trans	-84.5	-30.6	-176.4	29.6	-30.1	0	0	0	114	Q454 R460	Q454-P457 WeakPolarHBondContact O-CD 3.25Å; P457-R460 PolarHBondContact O-N 2.88Å
458	L	31.6	Very low	37.6	Very low	144 Å²	144	125.2 Å²	125.2	75%	0.754	63%	0.631	S	S	*	*	H	α-helix	trans	-71	-34.9	-179.3	-92	149.3	0	0	0	113.1	R460	L458-R460 VanDerWaalsContact C-N 3.28Å; L458-R460 PolarHBondContact O-N 3.04Å
459	R	31.3	Very low	39.3	Very low	210 Å²	210	119.8 Å²	119.8	79%	0.792	60%	0.604	S	S	*	*	H	α-helix	trans	-68.2	-25.1	177.1	-158	174.1	-176.8	-178.3	1	113
460	R	35.9	Very low	40.9	Very low	153 Å²	153	114.5 Å²	114.5	58%	0.577	58%	0.583	S	S	*	*	H	α-helix	trans	-81.1	-34.4	-179.9	-90.5	-179	-172	149.4	2.8	114.4	P457 L458 S462 Q463 V464	P457-R460 PolarHBondContact O-N 2.88Å; L458-R460 VanDerWaalsContact C-N 3.28Å; L458-R460 PolarHBondContact O-N 3.04Å; R460-S462 VanDerWaalsContact C-N 3.3Å; R460-S462 PolarHBondContact O-N 2.9Å; R460-Q463 PolarHBondContact O-N 3.44Å; R460-V464 PolarHBondContact O-N 3.38Å
461	K	34.4	Very low	42.6	Very low	177 Å²	177	106.6 Å²	106.6	77%	0.77	55%	0.548	S	S	*	.	H	α-helix	trans	-63.7	-35.7	176.5	-104.9	-178	176.1	-179.9	0	112.1	T465	K461-T465 PolarHBondContact O-N 2.81Å; K461-T465 PolarHBondContact O-OG1 2.9Å
462	S	41.1	Very low	44.6	Very low	70 Å²	70	105.7 Å²	105.7	49%	0.49	54%	0.536	S	S	.	.	H	α-helix	trans	-64.8	-38.2	173.7	169.2	0	0	0	0	112.4	R460 T465 E466	R460-S462 VanDerWaalsContact C-N 3.3Å; R460-S462 PolarHBondContact O-N 2.9Å; S462-T465 PolarHBondContact O-OG1 3.34Å; S462-E466 VanDerWaalsContact O-CB 3.29Å; S462-E466 WeakPolarHBondContact O-CB 3.44Å; S462-E466 PolarHBondContact O-N 3.23Å
463	Q	49.3	Very low	46.7	Very low	103 Å²	103	98.8 Å²	98.8	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-68.2	-40.1	-176.7	-147.1	-178.7	-11.3	0	0	111.8	R460 E466 F467	R460-Q463 PolarHBondContact O-N 3.44Å; Q463-E466 PolarHBondContact O-N 2.98Å; Q463-F467 HydrophobicContact CB-CE2 4.33Å; Q463-F467 HydrophobicContact CG-CD2 4.3Å; Q463-F467 HydrophobicContact CG-CE2 3.62Å; Q463-F467 HydrophobicContact CG-CZ 4.23Å; Q463-F467 WeakPolarHBondContact O-CD2 3.39Å; Q463-F467 WeakPolarHBondContact O-CG 3.43Å; Q463-F467 PolarHBondContact O-N 2.92Å
464	V	51.1	Low	48.4	Very low	41 Å²	41	91.6 Å²	91.6	25%	0.248	46%	0.461	C	S	.	.	H	α-helix	trans	-67.3	-42.9	179.7	179.2	0	0	0	0	112.2	R460 E466 F467 F468	R460-V464 PolarHBondContact O-N 3.38Å; V464-E466 VanDerWaalsContact C-N 3.33Å; V464-F467 PolarHBondContact O-N 3.36Å; V464-F468 HydrophobicContact CG1-CD2 4.13Å; V464-F468 HydrophobicContact CG1-CE2 4.05Å; V464-F468 WeakPolarHBondContact O-CD2 3.3Å; V464-F468 PolarHBondContact O-N 2.92Å
465	T	52.5	Low	50.5	Low	82 Å²	82	86.3 Å²	86.3	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-67	-36.1	176.3	28.6	0	0	0	0	111.8	K461 S462 F468 N469	K461-T465 PolarHBondContact O-N 2.81Å; K461-T465 PolarHBondContact O-OG1 2.9Å; S462-T465 PolarHBondContact O-OG1 3.34Å; T465-F468 PolarHBondContact O-N 3.16Å; T465-N469 PolarHBondContact O-N 3.26Å; T465-N469 VanDerWaalsContact O-N 3.14Å
466	E	57.9	Low	52.7	Low	91 Å²	91	83.9 Å²	83.9	43%	0.425	42%	0.419	S	S	.	.	H	α-helix	trans	-63.6	-40.7	172.7	-164.2	173	-170.4	0	0	111.7	S462 Q463 V464 F468 N469 V470	S462-E466 VanDerWaalsContact O-CB 3.29Å; S462-E466 WeakPolarHBondContact O-CB 3.44Å; S462-E466 PolarHBondContact O-N 3.23Å; Q463-E466 PolarHBondContact O-N 2.98Å; V464-E466 VanDerWaalsContact C-N 3.33Å; E466-F468 PolarHBondContact O-N 2.63Å; E466-N469 PolarHBondContact O-N 3.29Å; E466-V470 WeakPolarHBondContact O-CG2 3.33Å; E466-V470 PolarHBondContact O-N 3.21Å; E466-V470 VanDerWaalsContact O-N 3.11Å
467	F	56.8	Low	54.6	Low	97 Å²	97	80.6 Å²	80.6	43%	0.425	40%	0.398	S	S	.	.	H	α-helix	trans	-61.4	-39.9	174.6	-75.2	-61	0	0	0	113.3	M333 Q463 V464 V470 S471	M333-F467 HydrophobicContact CE-CB 4.33Å; M333-F467 HydrophobicContact CE-CD1 4.13Å; Q463-F467 HydrophobicContact CB-CE2 4.33Å; Q463-F467 HydrophobicContact CG-CD2 4.3Å; Q463-F467 HydrophobicContact CG-CE2 3.62Å; Q463-F467 HydrophobicContact CG-CZ 4.23Å; Q463-F467 WeakPolarHBondContact O-CD2 3.39Å; Q463-F467 WeakPolarHBondContact O-CG 3.43Å; Q463-F467 PolarHBondContact O-N 2.92Å; V464-F467 PolarHBondContact O-N 3.36Å; F467-V470 PolarHBondContact O-N 3.15Å; F467-S471 PolarHBondContact O-N 3.39Å
468	F	60.7	Low	56.6	Low	94 Å²	94	78.3 Å²	78.3	41%	0.412	38%	0.381	S	S	.	.	H	α-helix	trans	-67.6	-44.3	178.3	-89.4	-76.5	0	0	0	112.6	V464 T465 E466 V470 S471 N472	V464-F468 HydrophobicContact CG1-CD2 4.13Å; V464-F468 HydrophobicContact CG1-CE2 4.05Å; V464-F468 WeakPolarHBondContact O-CD2 3.3Å; V464-F468 PolarHBondContact O-N 2.92Å; T465-F468 PolarHBondContact O-N 3.16Å; E466-F468 PolarHBondContact O-N 2.63Å; F468-V470 PolarHBondContact O-N 3.41Å; F468-S471 PolarHBondContact O-N 2.93Å; F468-N472 PolarHBondContact O-N 2.93Å
469	N	62.8	Low	58.8	Low	60 Å²	60	75.6 Å²	75.6	32%	0.321	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-36.6	177.5	-69.2	-12.4	0	0	0	111.5	T465 E466 N472 M473	T465-N469 PolarHBondContact O-N 3.26Å; T465-N469 VanDerWaalsContact O-N 3.14Å; E466-N469 PolarHBondContact O-N 3.29Å; N469-N472 PolarHBondContact O-N 3.47Å; N469-M473 PolarHBondContact O-N 3.5Å
470	V	60.5	Low	61.2	Low	56 Å²	56	66.3 Å²	66.3	34%	0.339	33%	0.332	S	S	.	.	H	α-helix	trans	-71	-35.7	176.6	174.9	0	0	0	0	112.4	E466 F467 F468 M473 L474	E466-V470 WeakPolarHBondContact O-CG2 3.33Å; E466-V470 PolarHBondContact O-N 3.21Å; E466-V470 VanDerWaalsContact O-N 3.11Å; F467-V470 PolarHBondContact O-N 3.15Å; F468-V470 PolarHBondContact O-N 3.41Å; V470-M473 WeakPolarHBondContact O-CB 3.43Å; V470-M473 PolarHBondContact O-N 2.77Å; V470-L474 PolarHBondContact O-N 3.39Å
471	S	61.2	Low	63.1	Low	17 Å²	17	59.7 Å²	59.7	12%	0.119	31%	0.307	C	S	.	.	H	α-helix	trans	-64.9	-41.1	173.9	-170.9	0	0	0	0	111.6	F467 F468 M473 L474 I475	F467-S471 PolarHBondContact O-N 3.39Å; F468-S471 PolarHBondContact O-N 2.93Å; S471-M473 VanDerWaalsContact C-N 3.33Å; S471-L474 PolarHBondContact O-N 3.03Å; S471-I475 WeakPolarHBondContact O-CG1 3.21Å; S471-I475 PolarHBondContact O-N 3.31Å; S471-I475 VanDerWaalsContact O-N 3.14Å
472	N	68.3	Low	65.2	Low	76 Å²	76	54.4 Å²	54.4	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-64	-40.1	175.8	-70.1	-13	0	0	0	111.3	F468 N469 L474 I475 V476 M592	F468-N472 PolarHBondContact O-N 2.93Å; N469-N472 PolarHBondContact O-N 3.47Å; N472-L474 VanDerWaalsContact C-N 3.31Å; N472-L474 PolarHBondContact O-N 3.39Å; N472-I475 PolarHBondContact O-N 3.07Å; N472-V476 WeakPolarHBondContact O-CG2 3.37Å; N472-V476 PolarHBondContact O-N 3.11Å; N472-M592 HydrophobicContact CB-CE 4.47Å; N472-M592 HydrophobicContact CB-SD 3.83Å
473	M	69.5	Low	67	Low	10 Å²	10	56.7 Å²	56.7	5%	0.049	29%	0.293	C	S	.	.	H	α-helix	trans	-55.9	-44.9	173.8	-170.9	-168.6	174.7	0	0	112.2	L120 R213 N469 V470 S471 V476 I477 I588 F589 M592	L120-M473 HydrophobicContact CD1-CE 4.42Å; R213-M473 PolarHBondContact NH2-SD 3.29Å; N469-M473 PolarHBondContact O-N 3.5Å; V470-M473 WeakPolarHBondContact O-CB 3.43Å; V470-M473 PolarHBondContact O-N 2.77Å; S471-M473 VanDerWaalsContact C-N 3.33Å; M473-V476 PolarHBondContact O-N 3.32Å; M473-I477 HydrophobicContact CE-CD1 3.97Å; M473-I477 HydrophobicContact CG-CD1 4.04Å; M473-I477 VanDerWaalsContact O-CG1 3.25Å; M473-I477 WeakPolarHBondContact O-CG1 3.33Å; M473-I477 PolarHBondContact O-N 3.03Å; M473-I588 HydrophobicContact CE-CG2 4.32Å; M473-I588 HydrophobicContact CG-CG2 3.8Å; M473-F589 HydrophobicContact CE-CD1 3.61Å; M473-F589 HydrophobicContact CE-CE1 3.48Å; M473-F589 VanDerWaalsContact CE-CE1 3.48Å; M473-M592 HydrophobicContact CB-CB 3.8Å; M473-M592 HydrophobicContact CB-CG 3.93Å; M473-M592 HydrophobicContact CG-CB 3.99Å; M473-M592 HydrophobicContact CG-CG 4.21Å
474	L	66	Low	68.5	Low	7 Å²	7	53 Å²	53	4%	0.037	28%	0.276	C	S	.	.	H	α-helix	trans	-68.3	-38.1	-178.7	-165.4	89.2	0	0	0	112	A210 T326 I329 V470 S471 N472 V476 I477 L478	A210-L474 HydrophobicContact CB-CD1 4.41Å; T326-L474 HydrophobicContact CG2-CD2 3.73Å; T326-L474 HydrophobicContact CG2-CG 4.26Å; I329-L474 HydrophobicContact CB-CD2 3.91Å; I329-L474 HydrophobicContact CD1-CD1 4.44Å; I329-L474 HydrophobicContact CD1-CD2 3.45Å; I329-L474 VanDerWaalsContact CD1-CD2 3.45Å; I329-L474 HydrophobicContact CG1-CD2 4.27Å; I329-L474 HydrophobicContact CG2-CD2 3.74Å; V470-L474 PolarHBondContact O-N 3.39Å; S471-L474 PolarHBondContact O-N 3.03Å; N472-L474 VanDerWaalsContact C-N 3.31Å; N472-L474 PolarHBondContact O-N 3.39Å; L474-V476 VanDerWaalsContact C-N 3.34Å; L474-I477 PolarHBondContact O-N 3.42Å; L474-L478 WeakPolarHBondContact O-CB 3.38Å; L474-L478 PolarHBondContact O-N 3.01Å
475	I	71.4	Confident	69.7	Low	56 Å²	56	51.5 Å²	51.5	29%	0.287	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-44.1	175.5	-68	168.8	0	0	0	110.2	I330 S471 N472 I477 L478 I479	I330-I475 HydrophobicContact CD1-CD1 4.37Å; I330-I475 HydrophobicContact CD1-CG1 4.07Å; I330-I475 HydrophobicContact CG1-CD1 4.41Å; I330-I475 HydrophobicContact CG1-CG1 4.35Å; S471-I475 WeakPolarHBondContact O-CG1 3.21Å; S471-I475 PolarHBondContact O-N 3.31Å; S471-I475 VanDerWaalsContact O-N 3.14Å; N472-I475 PolarHBondContact O-N 3.07Å; I475-I477 VanDerWaalsContact C-N 3.33Å; I475-I477 PolarHBondContact O-N 2.71Å; I475-L478 PolarHBondContact O-N 3.25Å; I475-I479 HydrophobicContact CG2-CD1 3.78Å; I475-I479 HydrophobicContact CG2-CG1 4.41Å; I475-I479 VanDerWaalsContact O-CG1 3.3Å; I475-I479 WeakPolarHBondContact O-CG1 3.49Å; I475-I479 PolarHBondContact O-N 3.25Å
476	V	76.3	Confident	71	Confident	53 Å²	53	50 Å²	50	32%	0.321	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-40.1	177.3	175.8	0	0	0	0	111.4	N472 M473 L474 I479 K480 I588 M592	N472-V476 WeakPolarHBondContact O-CG2 3.37Å; N472-V476 PolarHBondContact O-N 3.11Å; M473-V476 PolarHBondContact O-N 3.32Å; L474-V476 VanDerWaalsContact C-N 3.34Å; V476-I479 PolarHBondContact O-N 3.27Å; V476-K480 WeakPolarHBondContact O-CB 3.37Å; V476-K480 PolarHBondContact O-N 2.91Å; V476-I588 HydrophobicContact CG1-CD1 3.83Å; V476-I588 HydrophobicContact CG1-CG1 3.72Å; V476-M592 HydrophobicContact CG2-CE 3.96Å
477	I	73.8	Confident	72.1	Confident	22 Å²	22	48.3 Å²	48.3	11%	0.113	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-47.9	172.6	-69.3	165.6	0	0	0	110.3	T206 M473 L474 I475 I479 K480 F481 I588	T206-I477 HydrophobicContact CG2-CG2 4.16Å; M473-I477 HydrophobicContact CE-CD1 3.97Å; M473-I477 HydrophobicContact CG-CD1 4.04Å; M473-I477 VanDerWaalsContact O-CG1 3.25Å; M473-I477 WeakPolarHBondContact O-CG1 3.33Å; M473-I477 PolarHBondContact O-N 3.03Å; L474-I477 PolarHBondContact O-N 3.42Å; I475-I477 VanDerWaalsContact C-N 3.33Å; I475-I477 PolarHBondContact O-N 2.71Å; I477-I479 PolarHBondContact O-N 3.48Å; I477-K480 WeakPolarHBondContact O-CB 3.44Å; I477-K480 PolarHBondContact O-N 3.47Å; I477-F481 HydrophobicContact CG2-CD2 3.69Å; I477-F481 HydrophobicContact CG2-CE2 3.76Å; I477-F481 VanDerWaalsContact O-CD2 3.31Å; I477-F481 WeakPolarHBondContact O-CD2 3.01Å; I477-F481 PolarHBondContact O-N 2.79Å; I477-I588 HydrophobicContact CG1-CG2 4.49Å
478	L	75.7	Confident	72.9	Confident	25 Å²	25	43.9 Å²	43.9	13%	0.131	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-46.7	179	179	69.8	0	0	0	111.7	I323 T326 L474 I475 K480 F481 I482	I323-L478 HydrophobicContact CB-CD1 4.39Å; I323-L478 HydrophobicContact CG1-CD1 3.83Å; T326-L478 HydrophobicContact CG2-CB 3.97Å; T326-L478 HydrophobicContact CG2-CD2 3.49Å; T326-L478 VanDerWaalsContact CG2-CD2 3.49Å; T326-L478 HydrophobicContact CG2-CG 4.18Å; L474-L478 WeakPolarHBondContact O-CB 3.38Å; L474-L478 PolarHBondContact O-N 3.01Å; I475-L478 PolarHBondContact O-N 3.25Å; L478-K480 VanDerWaalsContact C-N 3.31Å; L478-K480 PolarHBondContact O-N 2.91Å; L478-F481 PolarHBondContact O-N 2.85Å; L478-F481 VanDerWaalsContact O-N 3.12Å; L478-I482 HydrophobicContact CD1-CD1 3.91Å; L478-I482 HydrophobicContact CD1-CG1 4.17Å; L478-I482 HydrophobicContact CD2-CD1 4.11Å; L478-I482 HydrophobicContact CG-CD1 3.71Å; L478-I482 HydrophobicContact CG-CG1 4.3Å; L478-I482 WeakPolarHBondContact O-CG1 3.41Å; L478-I482 PolarHBondContact O-N 3.33Å
479	I	79.4	Confident	73.4	Confident	88 Å²	88	39.7 Å²	39.7	45%	0.451	22%	0.215	S	C	.	.	H	α-helix	trans	-59.7	-44.9	178.5	-69.3	167.5	0	0	0	110.2	I475 V476 I477 F481 I482 L483	I475-I479 HydrophobicContact CG2-CD1 3.78Å; I475-I479 HydrophobicContact CG2-CG1 4.41Å; I475-I479 VanDerWaalsContact O-CG1 3.3Å; I475-I479 WeakPolarHBondContact O-CG1 3.49Å; I475-I479 PolarHBondContact O-N 3.25Å; V476-I479 PolarHBondContact O-N 3.27Å; I477-I479 PolarHBondContact O-N 3.48Å; I479-F481 VanDerWaalsContact C-N 3.34Å; I479-F481 PolarHBondContact O-N 3.02Å; I479-I482 PolarHBondContact O-N 3.07Å; I479-L483 HydrophobicContact CG2-CD1 3.58Å; I479-L483 HydrophobicContact CG2-CG 4.17Å; I479-L483 WeakPolarHBondContact O-CB 3.43Å; I479-L483 WeakPolarHBondContact O-CG 3.31Å; I479-L483 PolarHBondContact O-N 3.29Å
480	K	81.1	Confident	74.1	Confident	15 Å²	15	41.4 Å²	41.4	7%	0.065	22%	0.224	C	C	.	.	H	α-helix	trans	-56.3	-46.5	173.6	176.3	-171	141.5	166.9	0	111.4	V476 I477 L478 I484 S581 N585 I588	V476-K480 WeakPolarHBondContact O-CB 3.37Å; V476-K480 PolarHBondContact O-N 2.91Å; I477-K480 WeakPolarHBondContact O-CB 3.44Å; I477-K480 PolarHBondContact O-N 3.47Å; L478-K480 VanDerWaalsContact C-N 3.31Å; L478-K480 PolarHBondContact O-N 2.91Å; K480-I484 HydrophobicContact CG-CD1 4.17Å; K480-I484 WeakPolarHBondContact O-CB 3.48Å; K480-I484 PolarHBondContact O-N 3.41Å; K480-I484 VanDerWaalsContact O-N 3.16Å; K480-S581 WeakPolarHBondContact CE-O 3.25Å; K480-S581 WeakPolarHBondContact CE-OG 3.31Å; K480-S581 PolarHBondContact NZ-O 3.05Å; K480-N585 VanDerWaalsContact NZ-CG 3.26Å; K480-N585 PolarHBondContact NZ-ND2 2.92Å; K480-N585 PolarHBondContact NZ-OD1 2.75Å; K480-I588 HydrophobicContact CD-CD1 4.33Å
481	F	74.9	Confident	74.9	Confident	13 Å²	13	39.8 Å²	39.8	6%	0.057	22%	0.215	C	C	.	.	I	π-helix	trans	-63.6	-46	179	-91	-85.8	0	0	0	112.5	T203 T206 L322 I477 L478 I479 H485 L486	T203-F481 HydrophobicContact CG2-CE1 4.48Å; T206-F481 HydrophobicContact CG2-CD2 4.42Å; T206-F481 HydrophobicContact CG2-CE2 3.38Å; T206-F481 HydrophobicContact CG2-CZ 3.55Å; L322-F481 HydrophobicContact CD1-CD1 3.73Å; L322-F481 HydrophobicContact CD1-CD2 4.11Å; L322-F481 HydrophobicContact CD1-CE1 3.82Å; L322-F481 HydrophobicContact CD1-CE2 4.23Å; L322-F481 HydrophobicContact CD1-CG 3.88Å; L322-F481 HydrophobicContact CD1-CZ 4.07Å; I477-F481 HydrophobicContact CG2-CD2 3.69Å; I477-F481 HydrophobicContact CG2-CE2 3.76Å; I477-F481 VanDerWaalsContact O-CD2 3.31Å; I477-F481 WeakPolarHBondContact O-CD2 3.01Å; I477-F481 PolarHBondContact O-N 2.79Å; L478-F481 PolarHBondContact O-N 2.85Å; L478-F481 VanDerWaalsContact O-N 3.12Å; I479-F481 VanDerWaalsContact C-N 3.34Å; I479-F481 PolarHBondContact O-N 3.02Å; F481-H485 HydrophobicContact CD1-CB 4.16Å; F481-H485 AromaticContact CD1-CD2 3.72Å; F481-H485 AromaticContact CD1-CG 3.82Å; F481-H485 WeakPolarHBondContact O-CA 3.05Å; F481-H485 WeakPolarHBondContact O-CB 3.44Å; F481-H485 PolarHBondContact O-N 3.11Å; F481-L486 PolarHBondContact O-N 3.5Å
482	I	78.1	Confident	75.2	Confident	66 Å²	66	40.2 Å²	40.2	34%	0.338	22%	0.215	S	C	.	.	I	π-helix	trans	-66.1	-43.5	-179.5	-67	172.3	0	0	0	111.3	I323 L478 I479 L486 P487	I323-I482 HydrophobicContact CD1-CG1 4.33Å; I323-I482 HydrophobicContact CG1-CD1 4.17Å; I323-I482 HydrophobicContact CG1-CG1 4.22Å; L478-I482 HydrophobicContact CD1-CD1 3.91Å; L478-I482 HydrophobicContact CD1-CG1 4.17Å; L478-I482 HydrophobicContact CD2-CD1 4.11Å; L478-I482 HydrophobicContact CG-CD1 3.71Å; L478-I482 HydrophobicContact CG-CG1 4.3Å; L478-I482 WeakPolarHBondContact O-CG1 3.41Å; L478-I482 PolarHBondContact O-N 3.33Å; I479-I482 PolarHBondContact O-N 3.07Å; I482-L486 WeakPolarHBondContact O-CB 3.33Å; I482-P487 VanDerWaalsContact O-CD 3.31Å; I482-P487 WeakPolarHBondContact O-CD 3.08Å
483	L	80.5	Confident	75.3	Confident	119 Å²	119	40.4 Å²	40.4	62%	0.623	21%	0.212	S	C	*	.	I	π-helix	trans	-75.7	-26.1	-175	-69.9	178.4	0	0	0	113.6	I479 P487	I479-L483 HydrophobicContact CG2-CD1 3.58Å; I479-L483 HydrophobicContact CG2-CG 4.17Å; I479-L483 WeakPolarHBondContact O-CB 3.43Å; I479-L483 WeakPolarHBondContact O-CG 3.31Å; I479-L483 PolarHBondContact O-N 3.29Å; L483-P487 WeakPolarHBondContact O-CG 3.2Å
484	I	81	Confident	75.6	Confident	26 Å²	26	42.7 Å²	42.7	13%	0.133	23%	0.227	C	C	.	.	I	π-helix	trans	-114.4	-48.4	-170.5	-59.3	174.3	0	0	0	111.9	K480 L577 I578	K480-I484 HydrophobicContact CG-CD1 4.17Å; K480-I484 WeakPolarHBondContact O-CB 3.48Å; K480-I484 PolarHBondContact O-N 3.41Å; K480-I484 VanDerWaalsContact O-N 3.16Å; I484-L577 HydrophobicContact CG2-CB 4.05Å; I484-I578 HydrophobicContact CG2-CB 4.47Å; I484-I578 HydrophobicContact CG2-CG1 3.91Å
485	H	76.3	Confident	75.7	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.037	24%	0.235	C	C	.	.	I	π-helix	trans	-80.6	-36.8	-173.7	-67.6	-102.2	0	0	0	112.5	H199 F481 N488 A489	H199-H485 AromaticContact CE1-CE1 3.67Å; H199-H485 AromaticContact CE1-ND1 3.68Å; F481-H485 HydrophobicContact CD1-CB 4.16Å; F481-H485 AromaticContact CD1-CD2 3.72Å; F481-H485 AromaticContact CD1-CG 3.82Å; F481-H485 WeakPolarHBondContact O-CA 3.05Å; F481-H485 WeakPolarHBondContact O-CB 3.44Å; F481-H485 PolarHBondContact O-N 3.11Å; H485-N488 PolarHBondContact O-N 3Å; H485-A489 WeakPolarHBondContact O-CB 3.43Å; H485-A489 PolarHBondContact O-N 3Å
486	L	78.1	Confident	75.4	Confident	52 Å²	52	43.6 Å²	43.6	27%	0.272	23%	0.23	S	C	.	.	H	α-helix	trans	-67.2	-45	-179.2	-173.9	70.4	0	0	0	112.8	F481 I482 N488 A489 L490	F481-L486 PolarHBondContact O-N 3.5Å; I482-L486 WeakPolarHBondContact O-CB 3.33Å; L486-N488 VanDerWaalsContact C-N 3.34Å; L486-N488 PolarHBondContact O-N 2.88Å; L486-A489 WeakPolarHBondContact O-CB 3.42Å; L486-A489 PolarHBondContact O-N 3.42Å; L486-L490 HydrophobicContact CG-CD1 4.44Å; L486-L490 WeakPolarHBondContact O-CG 3.42Å; L486-L490 PolarHBondContact O-N 3.46Å
487	P	81.5	Confident	75	Confident	55 Å²	55	45.4 Å²	45.4	36%	0.357	24%	0.237	S	C	.	.	H	α-helix	trans	-61.7	-42.1	174.5	-26.1	37.2	0	0	0	112.2	I482 L483 A489 L490 V491	I482-P487 VanDerWaalsContact O-CD 3.31Å; I482-P487 WeakPolarHBondContact O-CD 3.08Å; L483-P487 WeakPolarHBondContact O-CG 3.2Å; P487-A489 VanDerWaalsContact C-N 3.32Å; P487-A489 PolarHBondContact O-N 3Å; P487-L490 PolarHBondContact O-N 3.37Å; P487-V491 VanDerWaalsContact O-CG2 3.31Å; P487-V491 WeakPolarHBondContact O-CG2 3.39Å; P487-V491 PolarHBondContact O-N 2.98Å
488	N	74.6	Confident	74.7	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-42.8	176.1	-175.9	53.9	0	0	0	111.9	H485 L486 L490 V491 I492 C574 I578	H485-N488 PolarHBondContact O-N 3Å; L486-N488 VanDerWaalsContact C-N 3.34Å; L486-N488 PolarHBondContact O-N 2.88Å; N488-L490 VanDerWaalsContact C-N 3.32Å; N488-L490 PolarHBondContact O-N 3.24Å; N488-V491 PolarHBondContact O-N 2.9Å; N488-I492 VanDerWaalsContact ND2-CD1 3.33Å; N488-I492 WeakPolarHBondContact ND2-CD1 3.31Å; N488-I492 WeakPolarHBondContact O-CB 3.36Å; N488-I492 VanDerWaalsContact O-CG1 3.3Å; N488-I492 WeakPolarHBondContact O-CG1 3.44Å; N488-I492 PolarHBondContact O-N 3.37Å; N488-C574 HydrophobicContact CB-CB 3.93Å; N488-C574 WeakPolarHBondContact OD1-CB 3.47Å; N488-I578 HydrophobicContact CB-CD1 3.91Å; N488-I578 VanDerWaalsContact CG-CD1 3.48Å; N488-I578 WeakPolarHBondContact ND2-CD1 3.3Å
489	A	70.3	Confident	74.1	Confident	6 Å²	6	48.4 Å²	48.4	5%	0.05	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-46.5	175.3	0	0	0	0	0	112	H315 H485 L486 P487 F493	H315-A489 HydrophobicContact CB-CB 3.52Å; H485-A489 WeakPolarHBondContact O-CB 3.43Å; H485-A489 PolarHBondContact O-N 3Å; L486-A489 WeakPolarHBondContact O-CB 3.42Å; L486-A489 PolarHBondContact O-N 3.42Å; P487-A489 VanDerWaalsContact C-N 3.32Å; P487-A489 PolarHBondContact O-N 3Å; A489-F493 WeakPolarHBondContact O-CB 3.33Å; A489-F493 PolarHBondContact O-N 2.82Å
490	L	78.1	Confident	73.3	Confident	97 Å²	97	46.9 Å²	46.9	51%	0.508	25%	0.247	S	C	.	.	H	α-helix	trans	-66	-45	179.2	-71	172.2	0	0	0	111.6	L486 P487 N488 F493 V494	L486-L490 HydrophobicContact CG-CD1 4.44Å; L486-L490 WeakPolarHBondContact O-CG 3.42Å; L486-L490 PolarHBondContact O-N 3.46Å; P487-L490 PolarHBondContact O-N 3.37Å; N488-L490 VanDerWaalsContact C-N 3.32Å; N488-L490 PolarHBondContact O-N 3.24Å; L490-F493 PolarHBondContact O-N 2.03Å; L490-V494 WeakPolarHBondContact O-CB 3.36Å; L490-V494 VanDerWaalsContact O-CG2 3.26Å; L490-V494 WeakPolarHBondContact O-CG2 3.31Å; L490-V494 PolarHBondContact O-N 2.98Å
491	V	76.7	Confident	72.5	Confident	22 Å²	22	51.9 Å²	51.9	13%	0.133	27%	0.27	C	S	.	.	H	α-helix	trans	-60	-49.7	177.5	169	0	0	0	0	110.5	P487 N488 F493 V494 Y495 W567 V570 V571	P487-V491 VanDerWaalsContact O-CG2 3.31Å; P487-V491 WeakPolarHBondContact O-CG2 3.39Å; P487-V491 PolarHBondContact O-N 2.98Å; N488-V491 PolarHBondContact O-N 2.9Å; V491-F493 VanDerWaalsContact C-N 3.33Å; V491-F493 PolarHBondContact O-N 3.06Å; V491-V494 PolarHBondContact O-N 3.5Å; V491-Y495 WeakPolarHBondContact O-CB 3.2Å; V491-Y495 PolarHBondContact O-N 3.33Å; V491-W567 HydrophobicContact CG1-CE3 4.25Å; V491-W567 HydrophobicContact CG1-CZ3 4.21Å; V491-V570 HydrophobicContact CB-CG1 4.38Å; V491-V570 HydrophobicContact CG1-CB 4.4Å; V491-V570 HydrophobicContact CG1-CG1 3.69Å; V491-V570 HydrophobicContact CG2-CG1 3.72Å; V491-V571 HydrophobicContact CG1-CG2 3.78Å
492	I	68.6	Low	71.8	Confident	25 Å²	25	52.9 Å²	52.9	13%	0.128	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-44.8	178.6	-67.7	171.2	0	0	0	110	N488 Y495 T496	N488-I492 VanDerWaalsContact ND2-CD1 3.33Å; N488-I492 WeakPolarHBondContact ND2-CD1 3.31Å; N488-I492 WeakPolarHBondContact O-CB 3.36Å; N488-I492 VanDerWaalsContact O-CG1 3.3Å; N488-I492 WeakPolarHBondContact O-CG1 3.44Å; N488-I492 PolarHBondContact O-N 3.37Å; I492-Y495 PolarHBondContact O-N 3.3Å; I492-T496 HydrophobicContact CG2-CG2 4.3Å; I492-T496 WeakPolarHBondContact O-CB 3.42Å; I492-T496 VanDerWaalsContact O-CG2 3.27Å; I492-T496 WeakPolarHBondContact O-CG2 3.48Å; I492-T496 PolarHBondContact O-N 3.5Å; I492-T496 PolarHBondContact O-OG1 2.85Å; I492-T496 VanDerWaalsContact O-OG1 3.05Å
493	F	70.6	Confident	70.8	Confident	80 Å²	80	57.6 Å²	57.6	35%	0.351	29%	0.29	S	S	.	.	H	α-helix	trans	-60	-52.3	178.5	177.6	-114	0	0	0	111.9	V311 A489 L490 V491 Y495 T496 L497	V311-F493 HydrophobicContact CB-CD2 4.36Å; V311-F493 HydrophobicContact CG1-CB 3.9Å; V311-F493 HydrophobicContact CG1-CD2 3.63Å; V311-F493 HydrophobicContact CG1-CE2 4.49Å; V311-F493 HydrophobicContact CG1-CG 4.06Å; V311-F493 HydrophobicContact CG2-CB 4.5Å; V311-F493 HydrophobicContact CG2-CD2 4.3Å; A489-F493 WeakPolarHBondContact O-CB 3.33Å; A489-F493 PolarHBondContact O-N 2.82Å; L490-F493 PolarHBondContact O-N 2.03Å; V491-F493 VanDerWaalsContact C-N 3.33Å; V491-F493 PolarHBondContact O-N 3.06Å; F493-Y495 VanDerWaalsContact C-N 3.33Å; F493-Y495 PolarHBondContact O-N 3.11Å; F493-T496 WeakPolarHBondContact CA-OG1 3.3Å; F493-T496 PolarHBondContact O-N 2.89Å; F493-T496 PolarHBondContact O-OG1 3.33Å; F493-L497 WeakPolarHBondContact O-CB 3.47Å; F493-L497 PolarHBondContact O-N 2.75Å
494	V	74.3	Confident	69.6	Low	58 Å²	58	56.2 Å²	56.2	35%	0.352	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-40.1	179.8	176.7	0	0	0	0	111.1	L490 V491 L497 T498 W567	L490-V494 WeakPolarHBondContact O-CB 3.36Å; L490-V494 VanDerWaalsContact O-CG2 3.26Å; L490-V494 WeakPolarHBondContact O-CG2 3.31Å; L490-V494 PolarHBondContact O-N 2.98Å; V491-V494 PolarHBondContact O-N 3.5Å; V494-L497 PolarHBondContact O-N 3.08Å; V494-T498 WeakPolarHBondContact O-CB 2.95Å; V494-T498 PolarHBondContact O-N 3.23Å; V494-T498 PolarHBondContact O-OG1 2.99Å; V494-W567 HydrophobicContact CB-CH2 3.94Å; V494-W567 HydrophobicContact CB-CZ3 4.28Å; V494-W567 HydrophobicContact CG1-CH2 3.35Å; V494-W567 HydrophobicContact CG1-CZ2 3.81Å; V494-W567 HydrophobicContact CG1-CZ3 4.14Å
495	Y	68.3	Low	68.2	Low	54 Å²	54	62.4 Å²	62.4	21%	0.212	31%	0.305	C	S	.	.	H	α-helix	trans	-61.4	-48	175	176.7	-105.9	0	0	0	111.4	V491 I492 F493 L497 T498 L499 W567	V491-Y495 WeakPolarHBondContact O-CB 3.2Å; V491-Y495 PolarHBondContact O-N 3.33Å; I492-Y495 PolarHBondContact O-N 3.3Å; F493-Y495 VanDerWaalsContact C-N 3.33Å; F493-Y495 PolarHBondContact O-N 3.11Å; Y495-L497 VanDerWaalsContact C-N 3.34Å; Y495-L497 PolarHBondContact O-N 3.34Å; Y495-T498 PolarHBondContact O-N 2.49Å; Y495-L499 WeakPolarHBondContact O-CB 3.23Å; Y495-L499 PolarHBondContact O-N 3.42Å; Y495-W567 HydrophobicContact CD2-CB 3.52Å; Y495-W567 HydrophobicContact CD2-CD2 4.22Å; Y495-W567 HydrophobicContact CD2-CE3 4.48Å; Y495-W567 AromaticContact CD2-CG 3.8Å; Y495-W567 HydrophobicContact CD2-CG 3.8Å; Y495-W567 HydrophobicContact CE2-CB 3.81Å; Y495-W567 HydrophobicContact CE2-CG 4.41Å
496	T	64.7	Low	67	Low	29 Å²	29	66 Å²	66	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-63.2	-40	176.9	56.5	0	0	0	0	112	I492 F493 L499 M500	I492-T496 HydrophobicContact CG2-CG2 4.3Å; I492-T496 WeakPolarHBondContact O-CB 3.42Å; I492-T496 VanDerWaalsContact O-CG2 3.27Å; I492-T496 WeakPolarHBondContact O-CG2 3.48Å; I492-T496 PolarHBondContact O-N 3.5Å; I492-T496 PolarHBondContact O-OG1 2.85Å; I492-T496 VanDerWaalsContact O-OG1 3.05Å; F493-T496 WeakPolarHBondContact CA-OG1 3.3Å; F493-T496 PolarHBondContact O-N 2.89Å; F493-T496 PolarHBondContact O-OG1 3.33Å; T496-L499 PolarHBondContact O-N 3.35Å; T496-M500 WeakPolarHBondContact O-CB 3.43Å; T496-M500 WeakPolarHBondContact O-CG 3.4Å; T496-M500 PolarHBondContact O-N 3.44Å
497	L	68.8	Low	65.4	Low	91 Å²	91	65.5 Å²	65.5	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-42.9	178.1	-169.6	70.1	0	0	0	111.3	F493 V494 Y495 M500 Q501	F493-L497 WeakPolarHBondContact O-CB 3.47Å; F493-L497 PolarHBondContact O-N 2.75Å; V494-L497 PolarHBondContact O-N 3.08Å; Y495-L497 VanDerWaalsContact C-N 3.34Å; Y495-L497 PolarHBondContact O-N 3.34Å; L497-M500 WeakPolarHBondContact O-CB 3.41Å; L497-M500 PolarHBondContact O-N 2.91Å; L497-Q501 WeakPolarHBondContact O-CB 3.32Å; L497-Q501 PolarHBondContact O-N 3.23Å
498	T	66.8	Low	63.8	Low	44 Å²	44	67 Å²	67	27%	0.27	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-44.3	175.3	-53.3	0	0	0	0	111	V494 Y495 M500 Q501 N502	V494-T498 WeakPolarHBondContact O-CB 2.95Å; V494-T498 PolarHBondContact O-N 3.23Å; V494-T498 PolarHBondContact O-OG1 2.99Å; Y495-T498 PolarHBondContact O-N 2.49Å; T498-M500 VanDerWaalsContact C-N 3.28Å; T498-M500 PolarHBondContact O-N 3.02Å; T498-Q501 PolarHBondContact O-N 3.13Å; T498-N502 PolarHBondContact O-N 3.13Å; T498-N502 PolarHBondContact O-OD1 3.47Å
499	L	63.8	Low	62.3	Low	66 Å²	66	68.1 Å²	68.1	35%	0.346	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-40.3	176.6	-170.1	74.8	0	0	0	111.3	Y495 T496 R503	Y495-L499 WeakPolarHBondContact O-CB 3.23Å; Y495-L499 PolarHBondContact O-N 3.42Å; T496-L499 PolarHBondContact O-N 3.35Å; L499-R503 WeakPolarHBondContact O-CG 3.37Å; L499-R503 PolarHBondContact O-N 3.34Å; L499-R503 VanDerWaalsContact O-N 3.15Å
500	M	62	Low	61	Low	56 Å²	56	70.5 Å²	70.5	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-67.1	-45.2	174.8	-71.2	-63.4	-57.6	0	0	111.7	F304 T496 L497 T498 N502 R503 I504	F304-M500 HydrophobicContact CD2-CE 3.26Å; F304-M500 HydrophobicContact CD2-CG 4.32Å; F304-M500 HydrophobicContact CD2-SD 3.65Å; F304-M500 HydrophobicContact CE2-CE 3.36Å; F304-M500 HydrophobicContact CE2-CG 4.15Å; F304-M500 HydrophobicContact CE2-SD 4.01Å; F304-M500 HydrophobicContact CG-CE 4.17Å; F304-M500 HydrophobicContact CZ-CE 4.33Å; T496-M500 WeakPolarHBondContact O-CB 3.43Å; T496-M500 WeakPolarHBondContact O-CG 3.4Å; T496-M500 PolarHBondContact O-N 3.44Å; L497-M500 WeakPolarHBondContact O-CB 3.41Å; L497-M500 PolarHBondContact O-N 2.91Å; T498-M500 VanDerWaalsContact C-N 3.28Å; T498-M500 PolarHBondContact O-N 3.02Å; M500-N502 VanDerWaalsContact C-N 3.33Å; M500-N502 PolarHBondContact O-N 3.32Å; M500-R503 WeakPolarHBondContact O-CB 2.8Å; M500-R503 PolarHBondContact O-N 3.42Å; M500-I504 VanDerWaalsContact O-CG1 3.27Å; M500-I504 WeakPolarHBondContact O-CG1 3.44Å; M500-I504 PolarHBondContact O-N 2.86Å
501	Q	63.9	Low	59.4	Low	119 Å²	119	68.6 Å²	68.6	56%	0.556	34%	0.339	S	S	*	.	H	α-helix	trans	-62.1	-40.8	178	-174.7	174	-16.5	0	0	111	L497 T498 R503 I504 Y505	L497-Q501 WeakPolarHBondContact O-CB 3.32Å; L497-Q501 PolarHBondContact O-N 3.23Å; T498-Q501 PolarHBondContact O-N 3.13Å; Q501-R503 VanDerWaalsContact C-N 3.34Å; Q501-R503 PolarHBondContact O-N 3.47Å; Q501-I504 CarbonylContact O-C 3.58Å; Q501-I504 PolarHBondContact O-N 3.06Å; Q501-I504 VanDerWaalsContact O-N 3.16Å; Q501-Y505 VanDerWaalsContact O-CB 3.24Å; Q501-Y505 WeakPolarHBondContact O-CB 3.37Å; Q501-Y505 PolarHBondContact O-N 3.23Å
502	N	60.2	Low	57.9	Low	35 Å²	35	72.4 Å²	72.4	19%	0.187	36%	0.358	C	S	.	.	H	α-helix	trans	-65.9	-37.3	176.4	-72.8	10.4	0	0	0	111.6	T498 M500 I504 N506 E560	T498-N502 PolarHBondContact O-N 3.13Å; T498-N502 PolarHBondContact O-OD1 3.47Å; M500-N502 VanDerWaalsContact C-N 3.33Å; M500-N502 PolarHBondContact O-N 3.32Å; N502-I504 VanDerWaalsContact C-N 3.33Å; N502-I504 PolarHBondContact O-N 3.42Å; N502-N506 VanDerWaalsContact O-CB 3.25Å; N502-N506 WeakPolarHBondContact O-CB 3.45Å; N502-N506 VanDerWaalsContact O-CG 3.22Å; N502-N506 PolarHBondContact O-N 2.89Å; N502-N506 PolarHBondContact O-ND2 2.91Å; N502-N506 VanDerWaalsContact O-ND2 3.15Å; N502-E560 PolarHBondContact ND2-OE1 2.8Å; N502-E560 PolarHBondContact ND2-OE2 3.49Å
503	R	57.4	Low	56.6	Low	165 Å²	165	76.2 Å²	76.2	62%	0.623	38%	0.378	S	S	*	.	H	α-helix	trans	-64.2	-37.3	172.5	-73.4	179.6	-178.3	-158.1	-0.2	112	L499 M500 Q501 F507	L499-R503 WeakPolarHBondContact O-CG 3.37Å; L499-R503 PolarHBondContact O-N 3.34Å; L499-R503 VanDerWaalsContact O-N 3.15Å; M500-R503 WeakPolarHBondContact O-CB 2.8Å; M500-R503 PolarHBondContact O-N 3.42Å; Q501-R503 VanDerWaalsContact C-N 3.34Å; Q501-R503 PolarHBondContact O-N 3.47Å; R503-F507 VanDerWaalsContact O-CB 3.29Å; R503-F507 WeakPolarHBondContact O-CB 3.48Å; R503-F507 PolarHBondContact O-N 2.9Å
504	I	55	Low	55.2	Low	89 Å²	89	76.9 Å²	76.9	46%	0.456	38%	0.384	S	S	.	.	H	α-helix	trans	-77.9	-38.1	178.7	-64.7	164.1	0	0	0	112	M500 Q501 N502 F507 I508	M500-I504 VanDerWaalsContact O-CG1 3.27Å; M500-I504 WeakPolarHBondContact O-CG1 3.44Å; M500-I504 PolarHBondContact O-N 2.86Å; Q501-I504 CarbonylContact O-C 3.58Å; Q501-I504 PolarHBondContact O-N 3.06Å; Q501-I504 VanDerWaalsContact O-N 3.16Å; N502-I504 VanDerWaalsContact C-N 3.33Å; N502-I504 PolarHBondContact O-N 3.42Å; I504-F507 CarbonylContact O-C 3.49Å; I504-F507 WeakPolarHBondContact O-CA 3.37Å; I504-F507 VanDerWaalsContact O-CB 3.23Å; I504-F507 WeakPolarHBondContact O-CB 3.3Å; I504-F507 PolarHBondContact O-N 3.04Å; I504-I508 HydrophobicContact CG2-CD1 3.94Å; I504-I508 WeakPolarHBondContact O-CG1 3.4Å; I504-I508 PolarHBondContact O-N 3.12Å
505	Y	53	Low	53.6	Low	156 Å²	156	77.9 Å²	77.9	61%	0.612	39%	0.39	S	S	*	.	H	α-helix	trans	-73.7	-42.5	-177.6	-170.7	-93.6	0	0	0	111.3	Q501 F507 I508 G509	Q501-Y505 VanDerWaalsContact O-CB 3.24Å; Q501-Y505 WeakPolarHBondContact O-CB 3.37Å; Q501-Y505 PolarHBondContact O-N 3.23Å; Y505-F507 PolarHBondContact O-N 3.02Å; Y505-F507 VanDerWaalsContact O-N 3.16Å; Y505-I508 PolarHBondContact O-N 2.76Å; Y505-I508 VanDerWaalsContact O-N 3.07Å; Y505-G509 PolarHBondContact O-N 3.31Å
506	N	51.5	Low	52.2	Low	85 Å²	85	85.1 Å²	85.1	46%	0.455	42%	0.417	S	S	.	.	H	α-helix	trans	-61.5	-22.9	169.9	-70.8	-24	0	0	0	112.1	N502 N510	N502-N506 VanDerWaalsContact O-CB 3.25Å; N502-N506 WeakPolarHBondContact O-CB 3.45Å; N502-N506 VanDerWaalsContact O-CG 3.22Å; N502-N506 PolarHBondContact O-N 2.89Å; N502-N506 PolarHBondContact O-ND2 2.91Å; N502-N506 VanDerWaalsContact O-ND2 3.15Å; N506-N510 PolarHBondContact O-ND2 3.44Å
507	F	43.4	Very low	51	Low	41 Å²	41	94.4 Å²	94.4	18%	0.18	45%	0.449	C	S	.	.	H	α-helix	trans	-78.8	-36.8	173.8	173.4	-99.9	0	0	0	112.9	R503 I504 Y505 F545 L549	R503-F507 VanDerWaalsContact O-CB 3.29Å; R503-F507 WeakPolarHBondContact O-CB 3.48Å; R503-F507 PolarHBondContact O-N 2.9Å; I504-F507 CarbonylContact O-C 3.49Å; I504-F507 WeakPolarHBondContact O-CA 3.37Å; I504-F507 VanDerWaalsContact O-CB 3.23Å; I504-F507 WeakPolarHBondContact O-CB 3.3Å; I504-F507 PolarHBondContact O-N 3.04Å; Y505-F507 PolarHBondContact O-N 3.02Å; Y505-F507 VanDerWaalsContact O-N 3.16Å; F507-F545 HydrophobicContact CE1-CE1 4.24Å; F507-L549 HydrophobicContact CD1-CD1 4.22Å; F507-L549 HydrophobicContact CD1-CG 4.45Å; F507-L549 HydrophobicContact CD2-CD1 4.49Å; F507-L549 HydrophobicContact CD2-CG 3.93Å; F507-L549 HydrophobicContact CE1-CD1 3.35Å; F507-L549 HydrophobicContact CE1-CG 3.86Å; F507-L549 HydrophobicContact CE2-CB 3.91Å; F507-L549 HydrophobicContact CE2-CD1 3.75Å; F507-L549 HydrophobicContact CE2-CD2 4.43Å; F507-L549 HydrophobicContact CE2-CG 3.31Å; F507-L549 HydrophobicContact CG-CG 4.49Å; F507-L549 HydrophobicContact CZ-CB 4.02Å; F507-L549 HydrophobicContact CZ-CD1 3.09Å; F507-L549 HydrophobicContact CZ-CG 3.27Å
508	I	47.2	Very low	49.6	Very low	85 Å²	85	94.5 Å²	94.5	44%	0.436	46%	0.457	S	S	.	.	H	α-helix	trans	-83.1	-39.9	179.4	-64.6	169.2	0	0	0	112.5	I504 Y505 N510 N511 I512	I504-I508 HydrophobicContact CG2-CD1 3.94Å; I504-I508 WeakPolarHBondContact O-CG1 3.4Å; I504-I508 PolarHBondContact O-N 3.12Å; Y505-I508 PolarHBondContact O-N 2.76Å; Y505-I508 VanDerWaalsContact O-N 3.07Å; I508-N510 VanDerWaalsContact C-N 3.31Å; I508-N510 PolarHBondContact O-N 2.76Å; I508-N511 PolarHBondContact O-N 2.78Å; I508-N511 VanDerWaalsContact O-N 3.08Å; I508-I512 HydrophobicContact CG2-CD1 4.33Å; I508-I512 PolarHBondContact O-N 2.8Å
509	G	43.7	Very low	48.4	Very low	28 Å²	28	98.9 Å²	98.9	29%	0.289	48%	0.478	S	S	.	.	H	α-helix	trans	-59.5	-38.8	-177.7	0	0	0	0	0	113.3	Y505 N511 I512	Y505-G509 PolarHBondContact O-N 3.31Å; G509-N511 VanDerWaalsContact C-N 3.31Å; G509-N511 PolarHBondContact O-N 3.27Å; G509-I512 PolarHBondContact O-N 3.47Å
510	N	43.7	Very low	47	Very low	55 Å²	55	98.5 Å²	98.5	29%	0.294	49%	0.49	S	S	.	.	H	α-helix	trans	-70.9	-23.6	177.7	-78.2	-24.6	0	0	0	113.7	N506 I508 I514 A552	N506-N510 PolarHBondContact O-ND2 3.44Å; I508-N510 VanDerWaalsContact C-N 3.31Å; I508-N510 PolarHBondContact O-N 2.76Å; N510-I514 WeakPolarHBondContact O-CD1 3.09Å; N510-I514 VanDerWaalsContact O-CG1 3.31Å; N510-I514 WeakPolarHBondContact O-CG1 3.15Å; N510-I514 PolarHBondContact O-N 3.25Å; N510-A552 HydrophobicContact CB-CB 4.38Å
511	N	43.1	Very low	45.7	Very low	57 Å²	57	102.1 Å²	102.1	31%	0.305	51%	0.51	S	S	.	.	H	α-helix	trans	-77.6	-29.1	177.8	-80	-19	0	0	0	112.1	I508 G509 T515	I508-N511 PolarHBondContact O-N 2.78Å; I508-N511 VanDerWaalsContact O-N 3.08Å; G509-N511 VanDerWaalsContact C-N 3.31Å; G509-N511 PolarHBondContact O-N 3.27Å; N511-T515 WeakPolarHBondContact O-CB 3.5Å; N511-T515 PolarHBondContact O-N 3.05Å; N511-T515 VanDerWaalsContact O-N 3.17Å; N511-T515 PolarHBondContact O-OG1 3.49Å
512	I	45.9	Very low	44.3	Very low	103 Å²	103	104.2 Å²	104.2	53%	0.528	52%	0.523	S	S	.	.	H	α-helix	trans	-73.3	-36.8	179.1	-60.6	173.7	0	0	0	110.7	I508 G509 R516	I508-I512 HydrophobicContact CG2-CD1 4.33Å; I508-I512 PolarHBondContact O-N 2.8Å; G509-I512 PolarHBondContact O-N 3.47Å; I512-R516 WeakPolarHBondContact O-CB 3.47Å; I512-R516 PolarHBondContact O-N 2.88Å; I512-R516 VanDerWaalsContact O-N 3.07Å
513	D	41.8	Very low	42.8	Very low	104 Å²	104	105.5 Å²	105.5	56%	0.556	55%	0.545	S	S	*	.	H	α-helix	trans	-74.5	-31.7	179.5	-79	-22	0	0	0	114	R517	D513-R517 PolarHBondContact O-N 2.98Å
514	I	41.6	Very low	41.5	Very low	95 Å²	95	106.4 Å²	106.4	49%	0.487	56%	0.557	S	S	.	*	H	α-helix	trans	-75.2	-39.4	176.1	-64.3	169.5	0	0	0	110.6	N510 R516 R517 S518	N510-I514 WeakPolarHBondContact O-CD1 3.09Å; N510-I514 VanDerWaalsContact O-CG1 3.31Å; N510-I514 WeakPolarHBondContact O-CG1 3.15Å; N510-I514 PolarHBondContact O-N 3.25Å; I514-R516 VanDerWaalsContact C-N 3.34Å; I514-R516 PolarHBondContact O-N 2.84Å; I514-R517 PolarHBondContact O-N 3.3Å; I514-S518 WeakPolarHBondContact O-CB 3.42Å; I514-S518 PolarHBondContact O-N 3.1Å; I514-S518 VanDerWaalsContact O-N 3.08Å
515	T	40.8	Very low	40.4	Very low	78 Å²	78	108.7 Å²	108.7	48%	0.479	58%	0.575	S	S	.	*	H	α-helix	trans	-71.4	-29.8	179.2	-41.4	0	0	0	0	111.6	N511 I519	N511-T515 WeakPolarHBondContact O-CB 3.5Å; N511-T515 PolarHBondContact O-N 3.05Å; N511-T515 VanDerWaalsContact O-N 3.17Å; N511-T515 PolarHBondContact O-OG1 3.49Å; T515-I519 HydrophobicContact CG2-CD1 3.69Å; T515-I519 WeakPolarHBondContact O-CD1 3.32Å; T515-I519 VanDerWaalsContact O-CG1 3.26Å; T515-I519 WeakPolarHBondContact O-CG1 3.32Å; T515-I519 PolarHBondContact O-N 2.81Å
516	R	37.6	Very low	39.1	Very low	206 Å²	206	108.5 Å²	108.5	78%	0.777	58%	0.583	S	S	*	*	H	α-helix	trans	-79.2	-25.5	176.3	-145.6	174.5	-163.5	174	3.4	113.9	I512 I514	I512-R516 WeakPolarHBondContact O-CB 3.47Å; I512-R516 PolarHBondContact O-N 2.88Å; I512-R516 VanDerWaalsContact O-N 3.07Å; I514-R516 VanDerWaalsContact C-N 3.34Å; I514-R516 PolarHBondContact O-N 2.84Å
517	R	39.3	Very low	38.1	Very low	225 Å²	225	110.2 Å²	110.2	85%	0.849	60%	0.599	S	S	*	*	H	α-helix	trans	-84.6	-23	172.8	-79.1	-177.3	-177.7	173.9	3.1	113.9	D513 I514	D513-R517 PolarHBondContact O-N 2.98Å; I514-R517 PolarHBondContact O-N 3.3Å
518	S	40	Very low	37.2	Very low	92 Å²	92	114 Å²	114	64%	0.643	63%	0.625	S	S	*	*	H	α-helix	trans	-88.5	-14.7	-179.9	-173.9	0	0	0	0	114.7	I514	I514-S518 WeakPolarHBondContact O-CB 3.42Å; I514-S518 PolarHBondContact O-N 3.1Å; I514-S518 VanDerWaalsContact O-N 3.08Å
519	I	41.1	Very low	36.3	Very low	137 Å²	137	118.8 Å²	118.8	70%	0.703	65%	0.651	S	S	*	*	S	Bend	trans	-98.8	-5.7	-176.8	-64.9	173.8	0	0	0	112.2	T515	T515-I519 HydrophobicContact CG2-CD1 3.69Å; T515-I519 WeakPolarHBondContact O-CD1 3.32Å; T515-I519 VanDerWaalsContact O-CG1 3.26Å; T515-I519 WeakPolarHBondContact O-CG1 3.32Å; T515-I519 PolarHBondContact O-N 2.81Å
520	G	36	Very low	35.3	Very low	58 Å²	58	128.1 Å²	128.1	60%	0.598	68%	0.677	S	S	*	*	S	Bend	trans	-85.3	-10	-178.4	0	0	0	0	0	116.2
521	N	33.9	Very low	34.5	Very low	132 Å²	132	130.2 Å²	130.2	71%	0.706	70%	0.696	S	S	*	*	S	Bend	trans	-140.9	111.7	-175.8	-84.4	-22.6	0	0	0	111.1
522	I	34.6	Very low	33.7	Very low	162 Å²	162	132.9 Å²	132.9	83%	0.831	71%	0.714	S	S	*	*			trans	85.1	91.5	150.5	-50.5	159.1	0	0	0	115.5
523	G	27.3	Very low	32.9	Very low	62 Å²	62	134.1 Å²	134.1	64%	0.639	72%	0.722	S	S	*	*				37.4	127.1	114.7	0	0	0	0	0	120.2
524	E	30.1	Very low	32.2	Very low	185 Å²	185	137.2 Å²	137.2	86%	0.864	73%	0.733	S	S	*	*			trans	95.8	126.5	146.1	-56	-172.8	159.5	0	0	119.5
525	T	32.4	Very low	31.3	Very low	137 Å²	137	137.8 Å²	137.8	84%	0.84	75%	0.745	S	S	*	*			trans	86.3	97.2	158.7	67	0	0	0	0	120
526	I	27.2	Very low	30.7	Very low	151 Å²	151	141.6 Å²	141.6	77%	0.774	76%	0.762	S	S	*	*			trans	-74.9	152.2	151.6	-52.1	167.5	0	0	0	107.5	T528	I526-T528 HydrophobicContact CG2-CG2 4.48Å
527	P	29.6	Very low	30.1	Very low	122 Å²	122	139.5 Å²	139.5	79%	0.792	77%	0.765	S	S	*	*				-139.4	147.5	107.9	30.8	-13.8	0	0	0	115.8
528	T	25.3	Very low	29.5	Very low	119 Å²	119	135.7 Å²	135.7	73%	0.73	76%	0.761	S	S	*	*			trans	-48.9	142	170.5	50.2	0	0	0	0	116	I526	I526-T528 HydrophobicContact CG2-CG2 4.48Å
529	L	26.3	Very low	29.4	Very low	187 Å²	187	135.7 Å²	135.7	98%	0.979	76%	0.758	S	S	*	*			trans	-132.5	128.4	145.2	-150.4	82.7	0	0	0	110.2
530	R	23.2	Very low	28.9	Very low	224 Å²	224	138 Å²	138	85%	0.845	76%	0.76	S	S	*	*			trans	-114	140.6	-162.8	-176.4	-171.9	-160.8	178.3	6.9	109.7
531	S	26.9	Very low	28.8	Very low	98 Å²	98	140.5 Å²	140.5	69%	0.685	76%	0.763	S	S	*	*			trans	70.1	147.6	157.9	82.1	0	0	0	0	116.6
532	T	27.2	Very low	28.8	Very low	113 Å²	113	138.1 Å²	138.1	69%	0.693	75%	0.753	S	S	*	*			cis	-162.9	153.3	32.1	24.7	0	0	0	0	110.5
533	N	28.5	Very low	28.7	Very low	130 Å²	130	136.6 Å²	136.6	70%	0.695	74%	0.744	S	S	*	*			trans	69.4	105	142.3	-58.9	-11.4	0	0	0	122.4
534	Q	26.7	Very low	28.8	Very low	169 Å²	169	139.3 Å²	139.3	79%	0.79	74%	0.74	S	S	*	*				71.6	125.5	120.6	-69.5	176.4	-23.7	0	0	121.4
535	S	24	Very low	29	Very low	106 Å²	106	136.8 Å²	136.8	74%	0.741	73%	0.727	S	S	*	*			trans	69.4	98.9	149	60.5	0	0	0	0	119
536	I	27.5	Very low	29.2	Very low	159 Å²	159	133.2 Å²	133.2	82%	0.815	71%	0.705	S	S	*	*				-179.3	125.8	105.9	-83.1	151.7	0	0	0	107.9
537	L	24.9	Very low	29.4	Very low	161 Å²	161	129.8 Å²	129.8	84%	0.843	69%	0.688	S	S	*	*			trans	-90.2	132.1	-169.2	-158.1	81.7	0	0	0	109.3
538	L	26.5	Very low	29.6	Very low	146 Å²	146	130.6 Å²	130.6	76%	0.764	68%	0.681	S	S	*	*	S	Bend	trans	75.5	132.1	-172.5	-76.2	70	0	0	0	114.9
539	P	38.5	Very low	30.1	Very low	92 Å²	92	128 Å²	128	60%	0.597	66%	0.662	S	S	*	*	S	Bend	cis	-124.6	57	-5.9	39	-19.5	0	0	0	111.8
540	Y	29.7	Very low	30.8	Very low	186 Å²	186	120.1 Å²	120.1	73%	0.729	62%	0.62	S	S	*	*	H	α-helix	trans	-77.3	-25.5	-179.2	-100	-94.5	0	0	0	114.1	V542 M543 E544	Y540-V542 VanDerWaalsContact C-N 3.3Å; Y540-V542 PolarHBondContact O-N 3.33Å; Y540-M543 PolarHBondContact O-N 3.44Å; Y540-E544 WeakPolarHBondContact O-CB 3.43Å; Y540-E544 PolarHBondContact O-N 2.98Å
541	T	33.9	Very low	31.3	Very low	110 Å²	110	113.2 Å²	113.2	68%	0.675	61%	0.606	S	S	*	*	H	α-helix	trans	-64.7	-31.8	-178.4	49.7	0	0	0	0	112.7	F545	T541-F545 VanDerWaalsContact O-CB 3.23Å; T541-F545 WeakPolarHBondContact O-CB 3.44Å; T541-F545 PolarHBondContact O-N 3.47Å
542	V	34.8	Very low	31.6	Very low	82 Å²	82	108.9 Å²	108.9	50%	0.497	58%	0.577	S	S	.	*	H	α-helix	trans	-75.2	-36.8	177.7	-178.2	0	0	0	0	111.6	Y540 V546	Y540-V542 VanDerWaalsContact C-N 3.3Å; Y540-V542 PolarHBondContact O-N 3.33Å; V542-V546 HydrophobicContact CG1-CG2 4.44Å; V542-V546 WeakPolarHBondContact O-CB 3.45Å; V542-V546 WeakPolarHBondContact O-CG2 3.25Å; V542-V546 PolarHBondContact O-N 2.9Å
543	M	31.8	Very low	31.9	Very low	129 Å²	129	107.8 Å²	107.8	64%	0.635	57%	0.567	S	S	*	*	H	α-helix	trans	-73.2	-35.7	179.3	-147.9	91.5	79.8	0	0	111.7	Y540 V546 N547	Y540-M543 PolarHBondContact O-N 3.44Å; M543-V546 PolarHBondContact O-N 3.24Å; M543-N547 WeakPolarHBondContact O-CB 3.37Å; M543-N547 PolarHBondContact O-N 3.07Å
544	E	30.6	Very low	32.1	Very low	119 Å²	119	105.4 Å²	105.4	56%	0.556	56%	0.557	S	S	*	*	H	α-helix	trans	-73.8	-35.1	175.2	-159.4	161.2	-166.6	0	0	111.6	Y540 N547 Q548	Y540-E544 WeakPolarHBondContact O-CB 3.43Å; Y540-E544 PolarHBondContact O-N 2.98Å; E544-N547 PolarHBondContact O-N 2.76Å; E544-Q548 PolarHBondContact O-N 2.98Å
545	F	33	Very low	32.2	Very low	132 Å²	132	103 Å²	103	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-65	-42.4	169.6	-134.2	-110.4	0	0	0	111.6	F507 T541 N547 Q548 L549	F507-F545 HydrophobicContact CE1-CE1 4.24Å; T541-F545 VanDerWaalsContact O-CB 3.23Å; T541-F545 WeakPolarHBondContact O-CB 3.44Å; T541-F545 PolarHBondContact O-N 3.47Å; F545-N547 VanDerWaalsContact C-N 3.27Å; F545-N547 PolarHBondContact O-N 2.85Å; F545-Q548 CarbonylContact O-C 3.58Å; F545-Q548 PolarHBondContact O-N 2.8Å; F545-L549 HydrophobicContact CD1-CD1 3.43Å; F545-L549 VanDerWaalsContact CD1-CD1 3.43Å; F545-L549 HydrophobicContact CE1-CD1 3.99Å; F545-L549 HydrophobicContact CG-CD1 4.26Å; F545-L549 VanDerWaalsContact O-CB 3.24Å; F545-L549 WeakPolarHBondContact O-CB 3.04Å; F545-L549 WeakPolarHBondContact O-CD1 3.13Å; F545-L549 PolarHBondContact O-N 2.86Å
546	V	36.4	Very low	32.7	Very low	63 Å²	63	103 Å²	103	38%	0.382	54%	0.539	S	S	.	.	H	α-helix	trans	-62.9	-33.2	175.8	168.9	0	0	0	0	111.8	V542 M543 L549	V542-V546 HydrophobicContact CG1-CG2 4.44Å; V542-V546 WeakPolarHBondContact O-CB 3.45Å; V542-V546 WeakPolarHBondContact O-CG2 3.25Å; V542-V546 PolarHBondContact O-N 2.9Å; M543-V546 PolarHBondContact O-N 3.24Å; V546-L549 WeakPolarHBondContact O-CB 3.23Å
547	N	32.2	Very low	32.8	Very low	78 Å²	78	104.6 Å²	104.6	42%	0.417	54%	0.536	S	S	.	.	H	α-helix	trans	-78.5	-24.8	176.8	-97.9	-12.4	0	0	0	114.5	K33 M543 E544 F545 H550	K33-N547 WeakPolarHBondContact CD-OD1 3.37Å; K33-N547 VanDerWaalsContact CE-CG 3.45Å; K33-N547 WeakPolarHBondContact CE-OD1 3.48Å; K33-N547 PolarHBondContact NZ-ND2 2.89Å; K33-N547 PolarHBondContact NZ-OD1 3.34Å; M543-N547 WeakPolarHBondContact O-CB 3.37Å; M543-N547 PolarHBondContact O-N 3.07Å; E544-N547 PolarHBondContact O-N 2.76Å; F545-N547 VanDerWaalsContact C-N 3.27Å; F545-N547 PolarHBondContact O-N 2.85Å; N547-H550 WeakPolarHBondContact O-CB 3.4Å
548	Q	33.5	Very low	33.2	Very low	139 Å²	139	101.1 Å²	101.1	65%	0.65	52%	0.517	S	S	*	.	H	α-helix	trans	-89.5	-18	171.1	-70.1	-175.3	0	0	0	112.8	E544 F545 H550	E544-Q548 PolarHBondContact O-N 2.98Å; F545-Q548 CarbonylContact O-C 3.58Å; F545-Q548 PolarHBondContact O-N 2.8Å; Q548-H550 PolarHBondContact O-N 2.89Å
549	L	36.4	Very low	33.5	Very low	64 Å²	64	101.5 Å²	101.5	34%	0.335	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-1	175	-119.7	73.2	0	0	0	114.5	F507 F545 V546	F507-L549 HydrophobicContact CD1-CD1 4.22Å; F507-L549 HydrophobicContact CD1-CG 4.45Å; F507-L549 HydrophobicContact CD2-CD1 4.49Å; F507-L549 HydrophobicContact CD2-CG 3.93Å; F507-L549 HydrophobicContact CE1-CD1 3.35Å; F507-L549 HydrophobicContact CE1-CG 3.86Å; F507-L549 HydrophobicContact CE2-CB 3.91Å; F507-L549 HydrophobicContact CE2-CD1 3.75Å; F507-L549 HydrophobicContact CE2-CD2 4.43Å; F507-L549 HydrophobicContact CE2-CG 3.31Å; F507-L549 HydrophobicContact CG-CG 4.49Å; F507-L549 HydrophobicContact CZ-CB 4.02Å; F507-L549 HydrophobicContact CZ-CD1 3.09Å; F507-L549 HydrophobicContact CZ-CG 3.27Å; F545-L549 HydrophobicContact CD1-CD1 3.43Å; F545-L549 VanDerWaalsContact CD1-CD1 3.43Å; F545-L549 HydrophobicContact CE1-CD1 3.99Å; F545-L549 HydrophobicContact CG-CD1 4.26Å; F545-L549 VanDerWaalsContact O-CB 3.24Å; F545-L549 WeakPolarHBondContact O-CB 3.04Å; F545-L549 WeakPolarHBondContact O-CD1 3.13Å; F545-L549 PolarHBondContact O-N 2.86Å; V546-L549 WeakPolarHBondContact O-CB 3.23Å
550	H	41.8	Very low	34	Very low	22 Å²	22	99.9 Å²	99.9	10%	0.102	51%	0.505	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-15.5	-143.7	-169.3	49.2	0	0	0	114.1	I32 K33 P34 R60 N547 Q548	I32-H550 WeakPolarHBondContact CG2-CE1 2.93Å; K33-H550 WeakPolarHBondContact CA-CD2 3.41Å; K33-H550 WeakPolarHBondContact CA-CE1 3.49Å; K33-H550 VanDerWaalsContact CA-ND1 3.34Å; K33-H550 WeakPolarHBondContact CA-ND1 3.37Å; K33-H550 WeakPolarHBondContact CA-NE2 3.37Å; K33-H550 HydrophobicContact CD-CB 4.39Å; K33-H550 PolarHBondContact N-CE1 2.86Å; K33-H550 PolarHBondContact N-ND1 2.99Å; K33-H550 VanDerWaalsContact N-ND1 3.16Å; K33-H550 PolarHBondContact O-CE1 3.36Å; K33-H550 PolarHBondContact O-NE2 2.72Å; P34-H550 VanDerWaalsContact C-NE2 3.27Å; P34-H550 PolarHBondContact O-CD2 3.16Å; P34-H550 VanDerWaalsContact O-CD2 3.29Å; P34-H550 PolarHBondContact O-NE2 3.4Å; R60-H550 PolarHBondContact NH2-O 3.03Å; N547-H550 WeakPolarHBondContact O-CB 3.4Å; Q548-H550 PolarHBondContact O-N 2.89Å
551	S	33.3	Very low	35.1	Very low	79 Å²	79	93 Å²	93	55%	0.552	49%	0.486	S	S	*	.	S	Bend	trans	-101.5	-4.4	-171.2	54.4	0	0	0	0	116.7
552	A	33.5	Very low	36.1	Very low	7 Å²	7	92.4 Å²	92.4	6%	0.058	48%	0.484	C	S	.	.			trans	-86.1	120.1	-172.4	0	0	0	0	0	113.7	R60 N510 T554	R60-A552 PolarHBondContact NH1-O 3.42Å; N510-A552 HydrophobicContact CB-CB 4.38Å; A552-T554 PolarHBondContact O-N 3.05Å
553	N	31.8	Very low	37.3	Very low	91 Å²	91	92.3 Å²	92.3	49%	0.487	48%	0.484	S	S	.	.			trans	-66.4	115.2	172.7	-68.7	-51.2	0	0	0	110.2	K38	K38-N553 PolarHBondContact NZ-OD1 3.47Å
554	T	32.6	Very low	38.8	Very low	80 Å²	80	90.6 Å²	90.6	49%	0.491	47%	0.473	S	S	.	.			trans	-98.8	97.4	170.1	51.6	0	0	0	0	110.7	A552	A552-T554 PolarHBondContact O-N 3.05Å
555	I	30.1	Very low	40.4	Very low	117 Å²	117	87.5 Å²	87.5	60%	0.6	46%	0.46	S	S	*	.			trans	-67.7	121.6	151.5	-66.1	169	0	0	0	105.9	Y557	I555-Y557 HydrophobicContact CB-CD2 4.39Å; I555-Y557 HydrophobicContact CB-CE2 4.13Å; I555-Y557 HydrophobicContact CG2-CD2 3.99Å; I555-Y557 HydrophobicContact CG2-CE2 3.76Å; I555-Y557 PolarHBondContact O-N 3.41Å
556	I	34.7	Very low	42.2	Very low	107 Å²	107	86.4 Å²	86.4	55%	0.549	46%	0.459	S	S	.	.			trans	-77.3	91.9	177.4	-57.9	172.6	0	0	0	107.7	M1 I558	M1-I556 PolarHBondContact N-O 3.29Å; I556-I558 HydrophobicContact CG2-CG1 4.18Å; I556-I558 PolarHBondContact O-N 3.17Å
557	Y	28.8	Very low	43.7	Very low	193 Å²	193	86.4 Å²	86.4	76%	0.757	45%	0.453	S	S	*	.			trans	-67	114.7	166.5	-79	-86.8	0	0	0	108.8	I555 D559	I555-Y557 HydrophobicContact CB-CD2 4.39Å; I555-Y557 HydrophobicContact CB-CE2 4.13Å; I555-Y557 HydrophobicContact CG2-CD2 3.99Å; I555-Y557 HydrophobicContact CG2-CE2 3.76Å; I555-Y557 PolarHBondContact O-N 3.41Å; Y557-D559 PolarHBondContact O-N 2.7Å
558	I	32.7	Very low	45.3	Very low	88 Å²	88	86.1 Å²	86.1	45%	0.451	45%	0.45	S	S	.	.			trans	-94.5	86.7	173.5	-74.5	177.5	0	0	0	106.6	M1 I556	M1-I558 HydrophobicContact CB-CD1 3.99Å; I556-I558 HydrophobicContact CG2-CG1 4.18Å; I556-I558 PolarHBondContact O-N 3.17Å
559	D	34.2	Very low	47.3	Very low	153 Å²	153	83.3 Å²	83.3	82%	0.818	43%	0.434	S	S	*	.			trans	-128.8	10	164.9	-143.7	11.4	0	0	0	111.9	Y557	Y557-D559 PolarHBondContact O-N 2.7Å
560	E	48.7	Very low	49.2	Very low	59 Å²	59	82.5 Å²	82.5	28%	0.276	43%	0.431	S	S	.	.			trans	-99.4	15	177.3	-65.4	-172.8	148.6	0	0	113.6	N502 P562 T563 K564	N502-E560 PolarHBondContact ND2-OE1 2.8Å; N502-E560 PolarHBondContact ND2-OE2 3.49Å; E560-P562 VanDerWaalsContact C-CD 3.49Å; E560-T563 PolarHBondContact O-OG1 2.82Å; E560-K564 HydrophobicContact CB-CD 4.27Å; E560-K564 PolarHBondContact O-N 3.31Å; E560-K564 WeakPolarHBondContact OE2-CE 3.09Å; E560-K564 IonicContact OE2-NZ 2.71Å; E560-K564 PolarHBondContact OE2-NZ 2.9Å
561	A	51.6	Low	50.6	Low	42 Å²	42	82.9 Å²	82.9	35%	0.347	44%	0.435	S	S	.	.	H	α-helix	trans	-56.6	-43.7	-172.6	0	0	0	0	0	115	L565	A561-L565 PolarHBondContact O-N 2.81Å
562	P	56	Low	52.6	Low	97 Å²	97	80.9 Å²	80.9	63%	0.63	42%	0.418	S	S	*	.	H	α-helix	trans	-74.1	-36.9	-172.9	26.4	-32.9	0	0	0	113.3	E560 L566	E560-P562 VanDerWaalsContact C-CD 3.49Å; P562-L566 PolarHBondContact O-N 3.36Å
563	T	60.3	Low	54.8	Low	79 Å²	79	84.1 Å²	84.1	49%	0.485	43%	0.434	S	S	.	.	H	α-helix	trans	-70.8	-43.1	-177.6	54.5	0	0	0	0	111.3	E560 L565 L566 W567	E560-T563 PolarHBondContact O-OG1 2.82Å; T563-L565 VanDerWaalsContact C-N 3.3Å; T563-L565 PolarHBondContact O-N 3.04Å; T563-L566 PolarHBondContact O-N 2.77Å; T563-W567 PolarHBondContact O-N 2.81Å
564	K	62.1	Low	57.1	Low	93 Å²	93	80.5 Å²	80.5	40%	0.404	42%	0.415	S	S	.	.	H	α-helix	trans	-59.7	-41.3	176.6	-72.6	178.6	-179	163.3	0	112	E560 W567 I568	E560-K564 HydrophobicContact CB-CD 4.27Å; E560-K564 PolarHBondContact O-N 3.31Å; E560-K564 WeakPolarHBondContact OE2-CE 3.09Å; E560-K564 IonicContact OE2-NZ 2.71Å; E560-K564 PolarHBondContact OE2-NZ 2.9Å; K564-W567 PolarHBondContact O-N 2.82Å; K564-I568 WeakPolarHBondContact O-CG1 3.36Å; K564-I568 PolarHBondContact O-N 2.77Å; K564-I568 VanDerWaalsContact O-N 3.11Å
565	L	65.2	Low	59.2	Low	54 Å²	54	80.6 Å²	80.6	28%	0.283	41%	0.412	S	S	.	.	H	α-helix	trans	-64.5	-41.8	178.9	-177.5	65.7	0	0	0	112.4	N77 A561 T563 W567 I568 R569	N77-L565 VanDerWaalsContact ND2-CD2 3.33Å; N77-L565 WeakPolarHBondContact ND2-CD2 3.26Å; A561-L565 PolarHBondContact O-N 2.81Å; T563-L565 VanDerWaalsContact C-N 3.3Å; T563-L565 PolarHBondContact O-N 3.04Å; L565-W567 VanDerWaalsContact C-N 3.35Å; L565-W567 PolarHBondContact O-N 3.46Å; L565-I568 PolarHBondContact O-N 2.97Å; L565-R569 WeakPolarHBondContact O-CG 3.42Å; L565-R569 PolarHBondContact O-N 3.21Å; L565-R569 VanDerWaalsContact O-N 3.11Å
566	L	71.2	Confident	61.7	Low	109 Å²	109	76.6 Å²	76.6	57%	0.571	39%	0.392	S	S	*	.	H	α-helix	trans	-61	-44.7	177.1	-175	129.6	0	0	0	111.1	P562 T563 I568 R569 V570	P562-L566 PolarHBondContact O-N 3.36Å; T563-L566 PolarHBondContact O-N 2.77Å; L566-I568 VanDerWaalsContact C-N 3.35Å; L566-I568 PolarHBondContact O-N 3.31Å; L566-R569 PolarHBondContact O-N 3.07Å; L566-V570 HydrophobicContact CD2-CG2 4.3Å; L566-V570 VanDerWaalsContact O-CG2 3.31Å; L566-V570 WeakPolarHBondContact O-CG2 3.36Å; L566-V570 PolarHBondContact O-N 3Å
567	W	67.7	Low	64.1	Low	64 Å²	64	75.6 Å²	75.6	24%	0.242	39%	0.387	C	S	.	.	H	α-helix	trans	-58.9	-44.1	175.8	-76.1	111.2	0	0	0	112.9	V491 V494 Y495 T563 K564 L565 R569 V570 V571	V491-W567 HydrophobicContact CG1-CE3 4.25Å; V491-W567 HydrophobicContact CG1-CZ3 4.21Å; V494-W567 HydrophobicContact CB-CH2 3.94Å; V494-W567 HydrophobicContact CB-CZ3 4.28Å; V494-W567 HydrophobicContact CG1-CH2 3.35Å; V494-W567 HydrophobicContact CG1-CZ2 3.81Å; V494-W567 HydrophobicContact CG1-CZ3 4.14Å; Y495-W567 HydrophobicContact CD2-CB 3.52Å; Y495-W567 HydrophobicContact CD2-CD2 4.22Å; Y495-W567 HydrophobicContact CD2-CE3 4.48Å; Y495-W567 AromaticContact CD2-CG 3.8Å; Y495-W567 HydrophobicContact CD2-CG 3.8Å; Y495-W567 HydrophobicContact CE2-CB 3.81Å; Y495-W567 HydrophobicContact CE2-CG 4.41Å; T563-W567 PolarHBondContact O-N 2.81Å; K564-W567 PolarHBondContact O-N 2.82Å; L565-W567 VanDerWaalsContact C-N 3.35Å; L565-W567 PolarHBondContact O-N 3.46Å; W567-R569 VanDerWaalsContact C-N 3.32Å; W567-R569 PolarHBondContact O-N 3.44Å; W567-V570 PolarHBondContact O-N 2.82Å; W567-V571 WeakPolarHBondContact O-CG2 3.42Å; W567-V571 PolarHBondContact O-N 3.24Å
568	I	66	Low	66.6	Low	72 Å²	72	67 Å²	67	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-45.7	177.6	-67.8	164.6	0	0	0	110.5	K564 L565 L566 V570 V571 I572	K564-I568 WeakPolarHBondContact O-CG1 3.36Å; K564-I568 PolarHBondContact O-N 2.77Å; K564-I568 VanDerWaalsContact O-N 3.11Å; L565-I568 PolarHBondContact O-N 2.97Å; L566-I568 VanDerWaalsContact C-N 3.35Å; L566-I568 PolarHBondContact O-N 3.31Å; I568-V570 PolarHBondContact O-N 2.93Å; I568-V571 PolarHBondContact O-N 3.17Å; I568-I572 HydrophobicContact CG2-CD1 3.94Å; I568-I572 VanDerWaalsContact O-CG1 3.32Å; I568-I572 WeakPolarHBondContact O-CG1 3.26Å; I568-I572 PolarHBondContact O-N 3.37Å
569	R	74.4	Confident	69	Low	79 Å²	79	63.4 Å²	63.4	30%	0.298	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-43.7	177.5	-67.8	-178.8	-172.7	-164.7	4.5	112.4	N77 F80 L565 L566 W567 V571 I572 I573	N77-R569 PolarHBondContact ND2-NH2 3.19Å; N77-R569 PolarHBondContact OD1-NH2 3.41Å; F80-R569 HydrophobicContact CD1-CG 4.2Å; F80-R569 HydrophobicContact CE1-CB 4.19Å; F80-R569 HydrophobicContact CE1-CG 3.97Å; L565-R569 WeakPolarHBondContact O-CG 3.42Å; L565-R569 PolarHBondContact O-N 3.21Å; L565-R569 VanDerWaalsContact O-N 3.11Å; L566-R569 PolarHBondContact O-N 3.07Å; W567-R569 VanDerWaalsContact C-N 3.32Å; W567-R569 PolarHBondContact O-N 3.44Å; R569-V571 VanDerWaalsContact C-N 3.31Å; R569-V571 PolarHBondContact O-N 2.99Å; R569-I572 PolarHBondContact O-N 3.27Å; R569-I573 VanDerWaalsContact O-CG1 3.3Å; R569-I573 WeakPolarHBondContact O-CG1 3.41Å; R569-I573 PolarHBondContact O-N 2.85Å
570	V	76.8	Confident	71.4	Confident	48 Å²	48	58.2 Å²	58.2	29%	0.291	31%	0.311	S	S	.	.	H	α-helix	trans	-62.2	-41.9	178.8	177.5	0	0	0	0	110.4	V491 L566 W567 I568 I573 C574	V491-V570 HydrophobicContact CB-CG1 4.38Å; V491-V570 HydrophobicContact CG1-CB 4.4Å; V491-V570 HydrophobicContact CG1-CG1 3.69Å; V491-V570 HydrophobicContact CG2-CG1 3.72Å; L566-V570 HydrophobicContact CD2-CG2 4.3Å; L566-V570 VanDerWaalsContact O-CG2 3.31Å; L566-V570 WeakPolarHBondContact O-CG2 3.36Å; L566-V570 PolarHBondContact O-N 3Å; W567-V570 PolarHBondContact O-N 2.82Å; I568-V570 PolarHBondContact O-N 2.93Å; V570-I573 PolarHBondContact O-N 2.92Å; V570-C574 WeakPolarHBondContact O-CB 3.31Å; V570-C574 PolarHBondContact O-N 2.77Å; V570-C574 PolarHBondContact O-SG 3Å
571	V	71	Confident	73.1	Confident	30 Å²	30	55.4 Å²	55.4	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-43.5	175.5	172.2	0	0	0	0	111.4	V491 W567 I568 R569 I573 C574 N575	V491-V571 HydrophobicContact CG1-CG2 3.78Å; W567-V571 WeakPolarHBondContact O-CG2 3.42Å; W567-V571 PolarHBondContact O-N 3.24Å; I568-V571 PolarHBondContact O-N 3.17Å; R569-V571 VanDerWaalsContact C-N 3.31Å; R569-V571 PolarHBondContact O-N 2.99Å; V571-I573 PolarHBondContact O-N 2.98Å; V571-C574 PolarHBondContact O-N 3.38Å; V571-N575 WeakPolarHBondContact O-CB 3.26Å; V571-N575 PolarHBondContact O-N 2.85Å; V571-N575 PolarHBondContact O-ND2 2.96Å
572	I	74.4	Confident	74.7	Confident	37 Å²	37	53.8 Å²	53.8	19%	0.19	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-46.6	175.9	-68.6	167.1	0	0	0	110.8	F80 I84 I568 R569 C574 N575 L576	F80-I572 HydrophobicContact CE1-CG2 4.47Å; I84-I572 HydrophobicContact CD1-CG2 3.69Å; I84-I572 HydrophobicContact CG2-CG2 3.93Å; I568-I572 HydrophobicContact CG2-CD1 3.94Å; I568-I572 VanDerWaalsContact O-CG1 3.32Å; I568-I572 WeakPolarHBondContact O-CG1 3.26Å; I568-I572 PolarHBondContact O-N 3.37Å; R569-I572 PolarHBondContact O-N 3.27Å; I572-C574 PolarHBondContact O-N 2.85Å; I572-N575 PolarHBondContact O-N 3.48Å; I572-L576 PolarHBondContact O-N 3.01Å
573	I	81.1	Confident	76.1	Confident	75 Å²	75	50.3 Å²	50.3	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-43	178.2	-66.9	165.4	0	0	0	110.8	F80 R569 V570 V571 N575 L576 L577	F80-I573 HydrophobicContact CZ-CD1 4.21Å; F80-I573 HydrophobicContact CZ-CG1 4.12Å; R569-I573 VanDerWaalsContact O-CG1 3.3Å; R569-I573 WeakPolarHBondContact O-CG1 3.41Å; R569-I573 PolarHBondContact O-N 2.85Å; V570-I573 PolarHBondContact O-N 2.92Å; V571-I573 PolarHBondContact O-N 2.98Å; I573-N575 PolarHBondContact O-N 2.92Å; I573-L576 WeakPolarHBondContact O-CB 2.99Å; I573-L576 PolarHBondContact O-N 3.38Å; I573-L577 HydrophobicContact CG2-CD1 4.34Å; I573-L577 WeakPolarHBondContact O-CG 3.39Å; I573-L577 PolarHBondContact O-N 2.89Å
574	C	79	Confident	77.3	Confident	14 Å²	14	50 Å²	50	10%	0.095	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-41.5	178.2	-67.8	0	0	0	0	112.1	N488 V570 V571 I572 L576 L577 I578	N488-C574 HydrophobicContact CB-CB 3.93Å; N488-C574 WeakPolarHBondContact OD1-CB 3.47Å; V570-C574 WeakPolarHBondContact O-CB 3.31Å; V570-C574 PolarHBondContact O-N 2.77Å; V570-C574 PolarHBondContact O-SG 3Å; V571-C574 PolarHBondContact O-N 3.38Å; I572-C574 PolarHBondContact O-N 2.85Å; C574-L576 VanDerWaalsContact C-N 3.31Å; C574-L576 PolarHBondContact O-N 3.44Å; C574-L577 PolarHBondContact O-N 3.09Å; C574-I578 WeakPolarHBondContact O-CG1 3.49Å; C574-I578 PolarHBondContact O-N 2.77Å
575	N	76.7	Confident	78.2	Confident	82 Å²	82	46.2 Å²	46.2	44%	0.439	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-38.5	174.1	-72.8	-24.8	0	0	0	111.7	V571 I572 I573 I578 L579	V571-N575 WeakPolarHBondContact O-CB 3.26Å; V571-N575 PolarHBondContact O-N 2.85Å; V571-N575 PolarHBondContact O-ND2 2.96Å; I572-N575 PolarHBondContact O-N 3.48Å; I573-N575 PolarHBondContact O-N 2.92Å; N575-I578 PolarHBondContact O-N 2.77Å; N575-L579 PolarHBondContact O-N 3.07Å
576	L	83.9	Confident	79	Confident	34 Å²	34	44.5 Å²	44.5	18%	0.178	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-45.4	174	-168	73.5	0	0	0	111.5	I88 L92 I572 I573 C574 I578 L579 C580	I88-L576 HydrophobicContact CG2-CD1 3.88Å; I88-L576 HydrophobicContact CG2-CD2 4.29Å; L92-L576 HydrophobicContact CD1-CD1 3.32Å; L92-L576 HydrophobicContact CD1-CG 4.07Å; I572-L576 PolarHBondContact O-N 3.01Å; I573-L576 WeakPolarHBondContact O-CB 2.99Å; I573-L576 PolarHBondContact O-N 3.38Å; C574-L576 VanDerWaalsContact C-N 3.31Å; C574-L576 PolarHBondContact O-N 3.44Å; L576-I578 VanDerWaalsContact C-N 3.33Å; L576-I578 PolarHBondContact O-N 3.45Å; L576-L579 WeakPolarHBondContact O-CB 3.46Å; L576-L579 PolarHBondContact O-N 2.86Å; L576-L579 VanDerWaalsContact O-N 3.14Å; L576-C580 PolarHBondContact O-N 2.92Å; L576-C580 PolarHBondContact O-SG 2.9Å; L576-C580 VanDerWaalsContact O-SG 3.38Å
577	L	84.2	Confident	79.5	Confident	85 Å²	85	43.6 Å²	43.6	45%	0.445	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-40.1	177	-70.3	173.6	0	0	0	111.8	I484 I573 C574 L579 C580 S581	I484-L577 HydrophobicContact CG2-CB 4.05Å; I573-L577 HydrophobicContact CG2-CD1 4.34Å; I573-L577 WeakPolarHBondContact O-CG 3.39Å; I573-L577 PolarHBondContact O-N 2.89Å; C574-L577 PolarHBondContact O-N 3.09Å; L577-L579 VanDerWaalsContact C-N 3.33Å; L577-L579 PolarHBondContact O-N 2.81Å; L577-C580 PolarHBondContact O-N 3.21Å; L577-S581 WeakPolarHBondContact O-CB 3.44Å; L577-S581 PolarHBondContact O-N 3.37Å
578	I	80.7	Confident	80.2	Confident	12 Å²	12	41 Å²	41	6%	0.062	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-45.3	173.4	-70.2	163.7	0	0	0	110.7	I484 N488 C574 N575 L576 S581 Y582	I484-I578 HydrophobicContact CG2-CB 4.47Å; I484-I578 HydrophobicContact CG2-CG1 3.91Å; N488-I578 HydrophobicContact CB-CD1 3.91Å; N488-I578 VanDerWaalsContact CG-CD1 3.48Å; N488-I578 WeakPolarHBondContact ND2-CD1 3.3Å; C574-I578 WeakPolarHBondContact O-CG1 3.49Å; C574-I578 PolarHBondContact O-N 2.77Å; N575-I578 PolarHBondContact O-N 2.77Å; L576-I578 VanDerWaalsContact C-N 3.33Å; L576-I578 PolarHBondContact O-N 3.45Å; I578-S581 WeakPolarHBondContact O-CB 3.32Å; I578-S581 PolarHBondContact O-N 2.61Å; I578-S581 VanDerWaalsContact O-N 3.11Å; I578-S581 PolarHBondContact O-OG 3.03Å; I578-Y582 HydrophobicContact CG2-CE1 4.27Å; I578-Y582 HydrophobicContact CG2-CE2 3.82Å; I578-Y582 WeakPolarHBondContact CG2-OH 3.11Å; I578-Y582 PolarHBondContact O-N 2.94Å
579	L	83.2	Confident	80.7	Confident	14 Å²	14	38.1 Å²	38.1	7%	0.073	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-46	179	-168.6	73	0	0	0	111.6	L89 L92 L93 L96 N575 L576 L577 S581 Y582	L89-L579 HydrophobicContact CD1-CD2 3.43Å; L89-L579 VanDerWaalsContact CD1-CD2 3.43Å; L92-L579 HydrophobicContact CB-CD2 3.68Å; L92-L579 HydrophobicContact CB-CG 4.47Å; L92-L579 HydrophobicContact CD1-CD2 4.25Å; L93-L579 HydrophobicContact CD2-CD1 3.8Å; L93-L579 HydrophobicContact CD2-CD2 3.92Å; L93-L579 HydrophobicContact CG-CD2 4.12Å; L96-L579 HydrophobicContact CD2-CD1 3.59Å; N575-L579 PolarHBondContact O-N 3.07Å; L576-L579 WeakPolarHBondContact O-CB 3.46Å; L576-L579 PolarHBondContact O-N 2.86Å; L576-L579 VanDerWaalsContact O-N 3.14Å; L577-L579 VanDerWaalsContact C-N 3.33Å; L577-L579 PolarHBondContact O-N 2.81Å; L579-S581 PolarHBondContact O-N 3.11Å; L579-Y582 HydrophobicContact CD1-CD2 4.16Å; L579-Y582 PolarHBondContact O-N 3.41Å; L579-Y582 VanDerWaalsContact O-N 3.12Å
580	C	85.4	Confident	81	Confident	43 Å²	43	38.4 Å²	38.4	29%	0.291	20%	0.201	S	C	.	.	H	α-helix	trans	-57.9	-36.8	173	-69.4	0	0	0	0	111.7	L576 L577 Y582 L583 L584	L576-C580 PolarHBondContact O-N 2.92Å; L576-C580 PolarHBondContact O-SG 2.9Å; L576-C580 VanDerWaalsContact O-SG 3.38Å; L577-C580 PolarHBondContact O-N 3.21Å; C580-Y582 PolarHBondContact O-N 3.36Å; C580-L583 WeakPolarHBondContact O-CB 3.39Å; C580-L583 PolarHBondContact O-N 2.9Å; C580-L583 VanDerWaalsContact O-N 3.11Å; C580-L584 PolarHBondContact O-N 3.38Å
581	S	84.9	Confident	81.1	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-33.6	178.2	93.1	0	0	0	0	112.6	K480 L577 I578 L579 L583 L584	K480-S581 WeakPolarHBondContact CE-O 3.25Å; K480-S581 WeakPolarHBondContact CE-OG 3.31Å; K480-S581 PolarHBondContact NZ-O 3.05Å; L577-S581 WeakPolarHBondContact O-CB 3.44Å; L577-S581 PolarHBondContact O-N 3.37Å; I578-S581 WeakPolarHBondContact O-CB 3.32Å; I578-S581 PolarHBondContact O-N 2.61Å; I578-S581 VanDerWaalsContact O-N 3.11Å; I578-S581 PolarHBondContact O-OG 3.03Å; L579-S581 PolarHBondContact O-N 3.11Å; S581-L583 VanDerWaalsContact C-N 3.34Å; S581-L584 WeakPolarHBondContact O-CB 3.49Å; S581-L584 PolarHBondContact O-N 3.41Å
582	Y	83.9	Confident	81	Confident	8 Å²	8	40.9 Å²	40.9	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-34.2	177.9	-56.8	-44.8	0	0	0	111.7	L96 E127 N130 H199 I578 L579 C580 L584 N585	L96-Y582 HydrophobicContact CD1-CG 4.42Å; L96-Y582 HydrophobicContact CD2-CD2 4.23Å; E127-Y582 HydrophobicContact CG-CD1 4.06Å; E127-Y582 HydrophobicContact CG-CE1 4.37Å; E127-Y582 HydrophobicContact CG-CG 4.45Å; E127-Y582 WeakPolarHBondContact OE1-CD1 3.41Å; N130-Y582 VanDerWaalsContact ND2-CE2 3.32Å; N130-Y582 WeakPolarHBondContact ND2-CE2 3.44Å; H199-Y582 PolarHBondContact ND1-OH 2.92Å; I578-Y582 HydrophobicContact CG2-CE1 4.27Å; I578-Y582 HydrophobicContact CG2-CE2 3.82Å; I578-Y582 WeakPolarHBondContact CG2-OH 3.11Å; I578-Y582 PolarHBondContact O-N 2.94Å; L579-Y582 HydrophobicContact CD1-CD2 4.16Å; L579-Y582 PolarHBondContact O-N 3.41Å; L579-Y582 VanDerWaalsContact O-N 3.12Å; C580-Y582 PolarHBondContact O-N 3.36Å; Y582-L584 PolarHBondContact O-N 2.88Å; Y582-N585 VanDerWaalsContact O-CB 3.29Å; Y582-N585 WeakPolarHBondContact O-CB 3.25Å; Y582-N585 PolarHBondContact O-N 2.79Å
583	L	86.8	Confident	81.1	Confident	24 Å²	24	39.9 Å²	39.9	13%	0.126	21%	0.21	C	C	.	.	H	α-helix	trans	-59.4	-35.7	172.4	-57.7	174.6	0	0	0	111.5	L92 M95 L96 F99 C580 S581 N585 F586	L92-L583 HydrophobicContact CD2-CD1 3.68Å; M95-L583 HydrophobicContact CB-CD2 3.97Å; L96-L583 HydrophobicContact CB-CD2 3.76Å; L96-L583 HydrophobicContact CD1-CD2 4.03Å; L96-L583 VanDerWaalsContact N-CD2 3.28Å; F99-L583 HydrophobicContact CD2-CB 4.4Å; F99-L583 HydrophobicContact CD2-CD2 3.77Å; F99-L583 HydrophobicContact CE2-CD2 4.34Å; C580-L583 WeakPolarHBondContact O-CB 3.39Å; C580-L583 PolarHBondContact O-N 2.9Å; C580-L583 VanDerWaalsContact O-N 3.11Å; S581-L583 VanDerWaalsContact C-N 3.34Å; L583-N585 PolarHBondContact O-N 2.87Å; L583-F586 PolarHBondContact O-N 2.99Å
584	L	84.1	Confident	80.9	Confident	72 Å²	72	39.1 Å²	39.1	38%	0.377	21%	0.209	S	C	.	.	H	α-helix	trans	-63.8	-23	177.3	-58.2	177.7	0	0	0	112.7	C580 S581 Y582 F586 L587 I588	C580-L584 PolarHBondContact O-N 3.38Å; S581-L584 WeakPolarHBondContact O-CB 3.49Å; S581-L584 PolarHBondContact O-N 3.41Å; Y582-L584 PolarHBondContact O-N 2.88Å; L584-F586 VanDerWaalsContact C-N 3.31Å; L584-F586 PolarHBondContact O-N 3.44Å; L584-L587 HydrophobicContact CD2-CD1 4.11Å; L584-L587 PolarHBondContact O-N 3.17Å; L584-I588 HydrophobicContact CB-CD1 4.48Å; L584-I588 WeakPolarHBondContact O-CG1 3.38Å; L584-I588 PolarHBondContact O-N 3.09Å
585	N	80.6	Confident	80.9	Confident	15 Å²	15	40.4 Å²	40.4	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-40.9	179	-71.3	-28	0	0	0	112	E127 K480 Y582 L583 L587 I588 F589	E127-N585 PolarHBondContact OE1-ND2 3.08Å; E127-N585 PolarHBondContact OE2-ND2 3.04Å; K480-N585 VanDerWaalsContact NZ-CG 3.26Å; K480-N585 PolarHBondContact NZ-ND2 2.92Å; K480-N585 PolarHBondContact NZ-OD1 2.75Å; Y582-N585 VanDerWaalsContact O-CB 3.29Å; Y582-N585 WeakPolarHBondContact O-CB 3.25Å; Y582-N585 PolarHBondContact O-N 2.79Å; L583-N585 PolarHBondContact O-N 2.87Å; N585-L587 PolarHBondContact O-N 3.32Å; N585-I588 PolarHBondContact O-N 3.13Å; N585-F589 HydrophobicContact CB-CE2 4.11Å; N585-F589 HydrophobicContact CB-CZ 4.43Å; N585-F589 WeakPolarHBondContact O-CD2 3.24Å; N585-F589 VanDerWaalsContact O-CG 3.23Å; N585-F589 WeakPolarHBondContact O-CG 3.45Å; N585-F589 PolarHBondContact O-N 3.25Å
586	F	83	Confident	81.1	Confident	18 Å²	18	36.5 Å²	36.5	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-46	175.4	175.1	-97.4	0	0	0	111.5	F99 L102 S103 L583 L584 I588 F589 W590 F596 F600	F99-F586 HydrophobicContact CB-CB 3.84Å; F99-F586 HydrophobicContact CB-CD2 4.41Å; F99-F586 HydrophobicContact CB-CG 4.01Å; F99-F586 AromaticContact CD1-CD1 3.92Å; F99-F586 HydrophobicContact CD1-CD1 3.92Å; F99-F586 HydrophobicContact CD1-CE1 4.17Å; F99-F586 HydrophobicContact CD1-CG 4.2Å; F99-F586 HydrophobicContact CE1-CD1 4.35Å; F99-F586 HydrophobicContact CE1-CE1 4.42Å; F99-F586 HydrophobicContact CG-CB 4.27Å; F99-F586 HydrophobicContact CG-CD1 4.22Å; F99-F586 HydrophobicContact CG-CG 4.2Å; L102-F586 HydrophobicContact CB-CE2 4.07Å; S103-F586 WeakPolarHBondContact OG-CD2 3.39Å; L583-F586 PolarHBondContact O-N 2.99Å; L584-F586 VanDerWaalsContact C-N 3.31Å; L584-F586 PolarHBondContact O-N 3.44Å; F586-I588 VanDerWaalsContact C-N 3.3Å; F586-I588 PolarHBondContact O-N 2.7Å; F586-F589 PolarHBondContact O-N 2.7Å; F586-W590 WeakPolarHBondContact O-CB 3.41Å; F586-W590 PolarHBondContact O-N 3.42Å; F586-F596 HydrophobicContact CD2-CZ 4.38Å; F586-F596 HydrophobicContact CE2-CE1 4.32Å; F586-F596 HydrophobicContact CE2-CZ 4.29Å; F586-F600 HydrophobicContact CE2-CD2 4.35Å; F586-F600 AromaticContact CE2-CE2 3.94Å; F586-F600 HydrophobicContact CE2-CE2 3.94Å; F586-F600 HydrophobicContact CZ-CD2 4.43Å; F586-F600 AromaticContact CZ-CE2 3.77Å; F586-F600 HydrophobicContact CZ-CE2 3.77Å; F586-F600 HydrophobicContact CZ-CZ 4.17Å
587	L	82.8	Confident	81.1	Confident	90 Å²	90	40.5 Å²	40.5	47%	0.471	21%	0.209	S	C	.	.	H	α-helix	trans	-62.7	-38.4	177	-65.2	176.5	0	0	0	111.7	L584 N585 W590 T591	L584-L587 HydrophobicContact CD2-CD1 4.11Å; L584-L587 PolarHBondContact O-N 3.17Å; N585-L587 PolarHBondContact O-N 3.32Å; L587-W590 PolarHBondContact O-N 3.36Å; L587-T591 WeakPolarHBondContact O-CB 3.32Å; L587-T591 VanDerWaalsContact O-CG2 3.25Å; L587-T591 WeakPolarHBondContact O-CG2 3.44Å; L587-T591 PolarHBondContact O-N 2.87Å; L587-T591 PolarHBondContact O-OG1 3.27Å
588	I	80.8	Confident	81	Confident	10 Å²	10	40 Å²	40	5%	0.051	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-45.7	175	-67.6	164.6	0	0	0	110.3	M473 V476 I477 K480 L584 N585 F586 T591 M592	M473-I588 HydrophobicContact CE-CG2 4.32Å; M473-I588 HydrophobicContact CG-CG2 3.8Å; V476-I588 HydrophobicContact CG1-CD1 3.83Å; V476-I588 HydrophobicContact CG1-CG1 3.72Å; I477-I588 HydrophobicContact CG1-CG2 4.49Å; K480-I588 HydrophobicContact CD-CD1 4.33Å; L584-I588 HydrophobicContact CB-CD1 4.48Å; L584-I588 WeakPolarHBondContact O-CG1 3.38Å; L584-I588 PolarHBondContact O-N 3.09Å; N585-I588 PolarHBondContact O-N 3.13Å; F586-I588 VanDerWaalsContact C-N 3.3Å; F586-I588 PolarHBondContact O-N 2.7Å; I588-T591 PolarHBondContact O-OG1 2.77Å; I588-M592 HydrophobicContact CG2-CG 4.37Å; I588-M592 VanDerWaalsContact O-CB 3.27Å; I588-M592 WeakPolarHBondContact O-CB 3.39Å; I588-M592 WeakPolarHBondContact O-CG 3.03Å; I588-M592 PolarHBondContact O-N 3.39Å
589	F	77.1	Confident	81.2	Confident	11 Å²	11	40.8 Å²	40.8	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-43.2	177.1	-61.8	-37.9	0	0	0	112.1	L120 T124 M473 N585 F586 S593 F596	L120-F589 HydrophobicContact CD1-CE1 4.21Å; L120-F589 HydrophobicContact CD2-CE1 3.79Å; L120-F589 HydrophobicContact CD2-CZ 3.99Å; L120-F589 HydrophobicContact CG-CE1 4.48Å; T124-F589 HydrophobicContact CG2-CE2 3.77Å; T124-F589 HydrophobicContact CG2-CZ 4.38Å; M473-F589 HydrophobicContact CE-CD1 3.61Å; M473-F589 HydrophobicContact CE-CE1 3.48Å; M473-F589 VanDerWaalsContact CE-CE1 3.48Å; N585-F589 HydrophobicContact CB-CE2 4.11Å; N585-F589 HydrophobicContact CB-CZ 4.43Å; N585-F589 WeakPolarHBondContact O-CD2 3.24Å; N585-F589 VanDerWaalsContact O-CG 3.23Å; N585-F589 WeakPolarHBondContact O-CG 3.45Å; N585-F589 PolarHBondContact O-N 3.25Å; F586-F589 PolarHBondContact O-N 2.7Å; F589-S593 WeakPolarHBondContact O-CB 3.35Å; F589-S593 PolarHBondContact O-N 3.02Å; F589-S593 VanDerWaalsContact O-N 3.13Å; F589-F596 HydrophobicContact CB-CD1 3.94Å; F589-F596 HydrophobicContact CB-CD2 4.11Å; F589-F596 HydrophobicContact CB-CE1 3.85Å; F589-F596 HydrophobicContact CB-CE2 4.01Å; F589-F596 HydrophobicContact CB-CG 4.08Å; F589-F596 HydrophobicContact CB-CZ 3.88Å
590	W	81.1	Confident	81.2	Confident	85 Å²	85	41.5 Å²	41.5	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-60.2	-46.8	178.1	-179.3	-101.7	0	0	0	112.9	F586 L587 F596 R597 F600 V601	F586-W590 WeakPolarHBondContact O-CB 3.41Å; F586-W590 PolarHBondContact O-N 3.42Å; L587-W590 PolarHBondContact O-N 3.36Å; W590-F596 HydrophobicContact CE3-CE1 4.47Å; W590-R597 HydrophobicContact CD2-CG 4.48Å; W590-R597 HydrophobicContact CE3-CG 4.32Å; W590-R597 HydrophobicContact CH2-CG 4.02Å; W590-R597 HydrophobicContact CZ2-CG 4.19Å; W590-R597 HydrophobicContact CZ3-CG 4.03Å; W590-F600 HydrophobicContact CE3-CB 4.37Å; W590-F600 HydrophobicContact CE3-CD1 4.11Å; W590-F600 HydrophobicContact CE3-CE1 4.45Å; W590-F600 HydrophobicContact CE3-CG 4.13Å; W590-F600 AromaticContact CH2-CD1 3.56Å; W590-F600 HydrophobicContact CH2-CD1 3.56Å; W590-F600 AromaticContact CH2-CE1 3.82Å; W590-F600 HydrophobicContact CH2-CE1 3.82Å; W590-F600 HydrophobicContact CH2-CG 4.33Å; W590-F600 HydrophobicContact CZ3-CB 3.72Å; W590-F600 AromaticContact CZ3-CD1 3.08Å; W590-F600 HydrophobicContact CZ3-CD1 3.08Å; W590-F600 HydrophobicContact CZ3-CD2 4.23Å; W590-F600 AromaticContact CZ3-CE1 3.58Å; W590-F600 HydrophobicContact CZ3-CE1 3.58Å; W590-F600 AromaticContact CZ3-CG 3.43Å; W590-F600 HydrophobicContact CZ3-CG 3.43Å; W590-F600 VanDerWaalsContact CZ3-CG 3.43Å; W590-F600 HydrophobicContact CZ3-CZ 4.35Å; W590-V601 HydrophobicContact CH2-CG2 4.36Å
591	T	78.9	Confident	81.2	Confident	86 Å²	86	41.8 Å²	41.8	53%	0.528	22%	0.216	S	C	.	.	H	α-helix	trans	-76.5	-40.8	-174.9	51.6	0	0	0	0	112.5	L587 I588	L587-T591 WeakPolarHBondContact O-CB 3.32Å; L587-T591 VanDerWaalsContact O-CG2 3.25Å; L587-T591 WeakPolarHBondContact O-CG2 3.44Å; L587-T591 PolarHBondContact O-N 2.87Å; L587-T591 PolarHBondContact O-OG1 3.27Å; I588-T591 PolarHBondContact O-OG1 2.77Å
592	M	69.4	Low	81.1	Confident	44 Å²	44	44.7 Å²	44.7	22%	0.217	23%	0.231	C	C	.	.	H	α-helix	trans	-96.1	-27.3	-167.2	-61.7	-68.4	161	0	0	114	N472 M473 V476 I588	N472-M592 HydrophobicContact CB-CE 4.47Å; N472-M592 HydrophobicContact CB-SD 3.83Å; M473-M592 HydrophobicContact CB-CB 3.8Å; M473-M592 HydrophobicContact CB-CG 3.93Å; M473-M592 HydrophobicContact CG-CB 3.99Å; M473-M592 HydrophobicContact CG-CG 4.21Å; V476-M592 HydrophobicContact CG2-CE 3.96Å; I588-M592 HydrophobicContact CG2-CG 4.37Å; I588-M592 VanDerWaalsContact O-CB 3.27Å; I588-M592 WeakPolarHBondContact O-CB 3.39Å; I588-M592 WeakPolarHBondContact O-CG 3.03Å; I588-M592 PolarHBondContact O-N 3.39Å
593	S	76	Confident	80.9	Confident	16 Å²	16	45.4 Å²	45.4	11%	0.112	24%	0.235	C	C	.	.			trans	-103.2	100	-174.5	179.7	0	0	0	0	110.6	F589 P595 F596 R597	F589-S593 WeakPolarHBondContact O-CB 3.35Å; F589-S593 PolarHBondContact O-N 3.02Å; F589-S593 VanDerWaalsContact O-N 3.13Å; S593-P595 VanDerWaalsContact C-CD 3.48Å; S593-P595 WeakPolarHBondContact OG-CD 3.44Å; S593-P595 WeakPolarHBondContact OG-CG 3.45Å; S593-F596 VanDerWaalsContact CB-CB 3.48Å; S593-F596 WeakPolarHBondContact O-CB 2.88Å; S593-F596 PolarHBondContact O-N 3.14Å; S593-F596 VanDerWaalsContact OG-CB 3.24Å; S593-F596 WeakPolarHBondContact OG-CB 3.39Å; S593-F596 PolarHBondContact OG-N 3.46Å; S593-R597 PolarHBondContact O-N 3.23Å
594	T	76.8	Confident	80.6	Confident	58 Å²	58	49.3 Å²	49.3	36%	0.356	25%	0.252	S	S	.	.	H	α-helix	trans	-53.7	-44.4	170.7	52.9	0	0	0	0	112.9	F596 R597 T598	T594-F596 VanDerWaalsContact C-N 3.26Å; T594-F596 PolarHBondContact O-N 3.4Å; T594-R597 PolarHBondContact O-N 3.03Å; T594-T598 PolarHBondContact O-N 3.07Å; T594-T598 PolarHBondContact O-OG1 3.42Å; T594-T598 VanDerWaalsContact O-OG1 3.05Å
595	P	78.1	Confident	80.1	Confident	41 Å²	41	54.7 Å²	54.7	27%	0.266	27%	0.267	S	S	.	.	H	α-helix	trans	-63.4	-37	176.5	25.7	-33.7	0	0	0	110.8	M112 F117 S593 T598 Q599	M112-P595 HydrophobicContact CE-CB 3.69Å; M112-P595 HydrophobicContact CE-CG 4.39Å; M112-P595 WeakPolarHBondContact CE-O 3.07Å; M112-P595 HydrophobicContact SD-CB 4.18Å; F117-P595 HydrophobicContact CZ-CG 4.03Å; S593-P595 VanDerWaalsContact C-CD 3.48Å; S593-P595 WeakPolarHBondContact OG-CD 3.44Å; S593-P595 WeakPolarHBondContact OG-CG 3.45Å; P595-T598 PolarHBondContact O-N 3.04Å; P595-Q599 WeakPolarHBondContact O-CB 3.47Å; P595-Q599 WeakPolarHBondContact O-CG 3.38Å; P595-Q599 PolarHBondContact O-N 3.42Å
596	F	81	Confident	78.8	Confident	1 Å²	1	55.6 Å²	55.6	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-49.8	-179	-177.7	-87.8	0	0	0	110.7	V106 L107 M112 F586 F589 W590 S593 T594 T598 Q599 F600	V106-F596 HydrophobicContact CB-CD2 4Å; V106-F596 HydrophobicContact CB-CE2 3.6Å; V106-F596 HydrophobicContact CB-CZ 4.07Å; V106-F596 HydrophobicContact CG1-CD1 4.5Å; V106-F596 HydrophobicContact CG1-CD2 3.36Å; V106-F596 HydrophobicContact CG1-CE2 3.53Å; V106-F596 HydrophobicContact CG1-CG 3.89Å; V106-F596 HydrophobicContact CG1-CZ 4.18Å; V106-F596 HydrophobicContact CG2-CE2 4.11Å; V106-F596 HydrophobicContact CG2-CZ 4.06Å; L107-F596 HydrophobicContact CD2-CD2 4.27Å; L107-F596 HydrophobicContact CG-CE2 4.31Å; M112-F596 HydrophobicContact CE-CB 4.22Å; F586-F596 HydrophobicContact CD2-CZ 4.38Å; F586-F596 HydrophobicContact CE2-CE1 4.32Å; F586-F596 HydrophobicContact CE2-CZ 4.29Å; F589-F596 HydrophobicContact CB-CD1 3.94Å; F589-F596 HydrophobicContact CB-CD2 4.11Å; F589-F596 HydrophobicContact CB-CE1 3.85Å; F589-F596 HydrophobicContact CB-CE2 4.01Å; F589-F596 HydrophobicContact CB-CG 4.08Å; F589-F596 HydrophobicContact CB-CZ 3.88Å; W590-F596 HydrophobicContact CE3-CE1 4.47Å; S593-F596 VanDerWaalsContact CB-CB 3.48Å; S593-F596 WeakPolarHBondContact O-CB 2.88Å; S593-F596 PolarHBondContact O-N 3.14Å; S593-F596 VanDerWaalsContact OG-CB 3.24Å; S593-F596 WeakPolarHBondContact OG-CB 3.39Å; S593-F596 PolarHBondContact OG-N 3.46Å; T594-F596 VanDerWaalsContact C-N 3.26Å; T594-F596 PolarHBondContact O-N 3.4Å; F596-T598 VanDerWaalsContact C-N 3.35Å; F596-T598 PolarHBondContact O-N 3.1Å; F596-Q599 PolarHBondContact O-N 2.97Å; F596-F600 WeakPolarHBondContact O-CB 3.18Å; F596-F600 PolarHBondContact O-N 3.4Å
597	R	84.1	Confident	77.4	Confident	118 Å²	118	65 Å²	65	45%	0.445	32%	0.315	S	S	.	.	H	α-helix	trans	-58.5	-45.3	177.2	-172.1	176.1	66.8	-171.2	1.6	111.8	W590 S593 T594 Q599 F600 V601	W590-R597 HydrophobicContact CD2-CG 4.48Å; W590-R597 HydrophobicContact CE3-CG 4.32Å; W590-R597 HydrophobicContact CH2-CG 4.02Å; W590-R597 HydrophobicContact CZ2-CG 4.19Å; W590-R597 HydrophobicContact CZ3-CG 4.03Å; S593-R597 PolarHBondContact O-N 3.23Å; T594-R597 PolarHBondContact O-N 3.03Å; R597-Q599 PolarHBondContact O-N 3Å; R597-F600 PolarHBondContact O-N 3.34Å; R597-V601 WeakPolarHBondContact O-CG2 3.06Å; R597-V601 PolarHBondContact O-N 2.94Å
598	T	83.2	Confident	75.5	Confident	74 Å²	74	64 Å²	64	45%	0.454	32%	0.315	S	S	.	.	H	α-helix	trans	-61.6	-43.5	176.8	-59.4	0	0	0	0	111.5	T594 P595 F596 V601 N602	T594-T598 PolarHBondContact O-N 3.07Å; T594-T598 PolarHBondContact O-OG1 3.42Å; T594-T598 VanDerWaalsContact O-OG1 3.05Å; P595-T598 PolarHBondContact O-N 3.04Å; F596-T598 VanDerWaalsContact C-N 3.35Å; F596-T598 PolarHBondContact O-N 3.1Å; T598-V601 PolarHBondContact O-N 3.3Å; T598-N602 WeakPolarHBondContact O-CB 3.49Å; T598-N602 PolarHBondContact O-N 3.19Å; T598-N602 PolarHBondContact O-ND2 2.92Å; T598-N602 PolarHBondContact O-OD1 3.17Å
599	Q	83.6	Confident	73.5	Confident	29 Å²	29	71.7 Å²	71.7	14%	0.136	36%	0.355	C	S	.	.	H	α-helix	trans	-70	-34.8	179.1	-71.2	-54.7	-28	0	0	113.3	V106 R109 T111 M112 P595 F596 R597 N602 L603	V106-Q599 HydrophobicContact CG1-CB 3.84Å; R109-Q599 VanDerWaalsContact CD-OE1 3.28Å; T111-Q599 PolarHBondContact OG1-NE2 3.49Å; M112-Q599 HydrophobicContact CE-CB 3.84Å; M112-Q599 HydrophobicContact CE-CG 3.51Å; M112-Q599 HydrophobicContact CG-CG 4.24Å; P595-Q599 WeakPolarHBondContact O-CB 3.47Å; P595-Q599 WeakPolarHBondContact O-CG 3.38Å; P595-Q599 PolarHBondContact O-N 3.42Å; F596-Q599 PolarHBondContact O-N 2.97Å; R597-Q599 PolarHBondContact O-N 3Å; Q599-N602 CarbonylContact O-C 3.53Å; Q599-N602 WeakPolarHBondContact O-CB 3.19Å; Q599-N602 PolarHBondContact O-N 3.15Å; Q599-L603 PolarHBondContact O-N 3.24Å; Q599-L603 VanDerWaalsContact O-N 3.1Å
600	F	84.1	Confident	71.6	Confident	29 Å²	29	82.5 Å²	82.5	13%	0.127	40%	0.395	C	S	.	.	H	α-helix	trans	-65.3	-46.2	173	-178.7	-80.4	0	0	0	111.7	L102 V106 F586 W590 F596 R597 N602 L603 F604	L102-F600 HydrophobicContact CB-CE2 4.35Å; L102-F600 HydrophobicContact CD1-CE2 4.34Å; L102-F600 HydrophobicContact CD2-CE2 4.36Å; V106-F600 HydrophobicContact CG2-CB 3.8Å; V106-F600 HydrophobicContact CG2-CD2 3.75Å; V106-F600 HydrophobicContact CG2-CG 4.26Å; F586-F600 HydrophobicContact CE2-CD2 4.35Å; F586-F600 AromaticContact CE2-CE2 3.94Å; F586-F600 HydrophobicContact CE2-CE2 3.94Å; F586-F600 HydrophobicContact CZ-CD2 4.43Å; F586-F600 AromaticContact CZ-CE2 3.77Å; F586-F600 HydrophobicContact CZ-CE2 3.77Å; F586-F600 HydrophobicContact CZ-CZ 4.17Å; W590-F600 HydrophobicContact CE3-CB 4.37Å; W590-F600 HydrophobicContact CE3-CD1 4.11Å; W590-F600 HydrophobicContact CE3-CE1 4.45Å; W590-F600 HydrophobicContact CE3-CG 4.13Å; W590-F600 AromaticContact CH2-CD1 3.56Å; W590-F600 HydrophobicContact CH2-CD1 3.56Å; W590-F600 AromaticContact CH2-CE1 3.82Å; W590-F600 HydrophobicContact CH2-CE1 3.82Å; W590-F600 HydrophobicContact CH2-CG 4.33Å; W590-F600 HydrophobicContact CZ3-CB 3.72Å; W590-F600 AromaticContact CZ3-CD1 3.08Å; W590-F600 HydrophobicContact CZ3-CD1 3.08Å; W590-F600 HydrophobicContact CZ3-CD2 4.23Å; W590-F600 AromaticContact CZ3-CE1 3.58Å; W590-F600 HydrophobicContact CZ3-CE1 3.58Å; W590-F600 AromaticContact CZ3-CG 3.43Å; W590-F600 HydrophobicContact CZ3-CG 3.43Å; W590-F600 VanDerWaalsContact CZ3-CG 3.43Å; W590-F600 HydrophobicContact CZ3-CZ 4.35Å; F596-F600 WeakPolarHBondContact O-CB 3.18Å; F596-F600 PolarHBondContact O-N 3.4Å; R597-F600 PolarHBondContact O-N 3.34Å; F600-N602 PolarHBondContact O-N 3.01Å; F600-L603 VanDerWaalsContact O-CB 3.27Å; F600-L603 WeakPolarHBondContact O-CB 3.21Å; F600-L603 PolarHBondContact O-N 2.79Å; F600-F604 HydrophobicContact CD1-CD2 4.12Å; F600-F604 AromaticContact CD1-CE2 3.88Å; F600-F604 HydrophobicContact CD1-CE2 3.88Å; F600-F604 AromaticContact CE1-CD2 3.96Å; F600-F604 HydrophobicContact CE1-CD2 3.96Å; F600-F604 AromaticContact CE1-CE2 3.43Å; F600-F604 HydrophobicContact CE1-CE2 3.43Å; F600-F604 VanDerWaalsContact CE1-CE2 3.43Å; F600-F604 HydrophobicContact CE1-CZ 4.42Å; F600-F604 HydrophobicContact CE2-CE2 4.09Å; F600-F604 HydrophobicContact CG-CE2 4.46Å; F600-F604 HydrophobicContact CZ-CD2 4.5Å; F600-F604 AromaticContact CZ-CE2 3.54Å; F600-F604 HydrophobicContact CZ-CE2 3.54Å; F600-F604 HydrophobicContact CZ-CZ 4.2Å; F600-F604 WeakPolarHBondContact O-CD2 3.48Å
601	V	84.9	Confident	69.5	Low	49 Å²	49	86.6 Å²	86.6	30%	0.297	42%	0.423	S	S	.	.	H	α-helix	trans	-59.1	-37.4	174.1	173	0	0	0	0	110.6	W590 R597 T598 L603 F604 R605	W590-V601 HydrophobicContact CH2-CG2 4.36Å; R597-V601 WeakPolarHBondContact O-CG2 3.06Å; R597-V601 PolarHBondContact O-N 2.94Å; T598-V601 PolarHBondContact O-N 3.3Å; V601-L603 PolarHBondContact O-N 3.08Å; V601-F604 PolarHBondContact O-N 2.65Å; V601-R605 HydrophobicContact CG1-CG 4.07Å; V601-R605 PolarHBondContact O-N 3.47Å
602	N	82.7	Confident	67.4	Low	60 Å²	60	91.3 Å²	91.3	32%	0.321	46%	0.46	S	S	.	.	H	α-helix	trans	-71.3	-8	174.2	-65.6	-20.9	0	0	0	114.5	R109 T598 Q599 F600	R109-N602 PolarHBondContact NH1-O 2.87Å; R109-N602 PolarHBondContact NH2-O 3.26Å; T598-N602 WeakPolarHBondContact O-CB 3.49Å; T598-N602 PolarHBondContact O-N 3.19Å; T598-N602 PolarHBondContact O-ND2 2.92Å; T598-N602 PolarHBondContact O-OD1 3.17Å; Q599-N602 CarbonylContact O-C 3.53Å; Q599-N602 WeakPolarHBondContact O-CB 3.19Å; Q599-N602 PolarHBondContact O-N 3.15Å; F600-N602 PolarHBondContact O-N 3.01Å
603	L	80.4	Confident	67.3	Low	24 Å²	24	93.7 Å²	93.7	13%	0.126	47%	0.472	C	S	.	.	H	α-helix	trans	-74.2	-33.6	167.9	-76	163.1	0	0	0	111.1	A105 V106 C403 Q599 F600 V601	A105-L603 HydrophobicContact CB-CD1 4.39Å; V106-L603 HydrophobicContact CB-CD1 4.45Å; V106-L603 HydrophobicContact CG2-CD1 3.43Å; V106-L603 VanDerWaalsContact CG2-CD1 3.43Å; C403-L603 PolarHBondContact SG-O 3.37Å; Q599-L603 PolarHBondContact O-N 3.24Å; Q599-L603 VanDerWaalsContact O-N 3.1Å; F600-L603 VanDerWaalsContact O-CB 3.27Å; F600-L603 WeakPolarHBondContact O-CB 3.21Å; F600-L603 PolarHBondContact O-N 2.79Å; V601-L603 PolarHBondContact O-N 3.08Å
604	F	80.7	Confident	66.8	Low	106 Å²	106	97.7 Å²	97.7	47%	0.465	49%	0.491	S	S	.	.	H	α-helix	trans	-96.2	-26	-179.2	-61.9	-80.8	0	0	0	113.1	T405 F600 V601 C606	T405-F604 PolarHBondContact OG1-O 2.82Å; T405-F604 VanDerWaalsContact OG1-O 3.11Å; F600-F604 HydrophobicContact CD1-CD2 4.12Å; F600-F604 AromaticContact CD1-CE2 3.88Å; F600-F604 HydrophobicContact CD1-CE2 3.88Å; F600-F604 AromaticContact CE1-CD2 3.96Å; F600-F604 HydrophobicContact CE1-CD2 3.96Å; F600-F604 AromaticContact CE1-CE2 3.43Å; F600-F604 HydrophobicContact CE1-CE2 3.43Å; F600-F604 VanDerWaalsContact CE1-CE2 3.43Å; F600-F604 HydrophobicContact CE1-CZ 4.42Å; F600-F604 HydrophobicContact CE2-CE2 4.09Å; F600-F604 HydrophobicContact CG-CE2 4.46Å; F600-F604 HydrophobicContact CZ-CD2 4.5Å; F600-F604 AromaticContact CZ-CE2 3.54Å; F600-F604 HydrophobicContact CZ-CE2 3.54Å; F600-F604 HydrophobicContact CZ-CZ 4.2Å; F600-F604 WeakPolarHBondContact O-CD2 3.48Å; V601-F604 PolarHBondContact O-N 2.65Å; F604-C606 PolarHBondContact O-N 2.78Å
605	R	71.9	Confident	66.3	Low	185 Å²	185	99.9 Å²	99.9	70%	0.698	50%	0.498	S	S	*	.			trans	-83.1	98.2	172.4	-71.9	-170.9	179.3	-175.5	-2.6	110.6	V601 K607	V601-R605 HydrophobicContact CG1-CG 4.07Å; V601-R605 PolarHBondContact O-N 3.47Å; R605-K607 PolarHBondContact O-N 3.05Å
606	C	53.8	Low	65.6	Low	34 Å²	34	103.4 Å²	103.4	23%	0.23	51%	0.512	C	S	.	.			trans	-73.7	124.4	165.9	-63.8	0	0	0	0	109.3	C403 T405 C406 F604 C608	C403-C606 HydrophobicContact CB-CB 3.82Å; C403-C606 WeakPolarHBondContact CB-SG 3.22Å; C403-C606 WeakPolarHBondContact SG-CA 3.25Å; C403-C606 WeakPolarHBondContact SG-CB 3.32Å; C403-C606 PolarHBondContact SG-N 3.41Å; C403-C606 CovalentContact SG-SG 2.01Å; C403-C606 PolarHBondContact SG-SG 3.07Å; T405-C606 WeakPolarHBondContact CB-SG 3.43Å; T405-C606 PolarHBondContact OG1-SG 3.2Å; C406-C606 PolarHBondContact N-SG 2.67Å; C406-C606 VanDerWaalsContact SG-CB 3.51Å; C406-C606 PolarHBondContact SG-SG 2.87Å; F604-C606 PolarHBondContact O-N 2.78Å; C606-C608 HydrophobicContact CB-CB 4.01Å; C606-C608 PolarHBondContact O-N 3.15Å
607	K	52.9	Low	64.6	Low	215 Å²	215	109.8 Å²	109.8	94%	0.935	54%	0.544	S	S	*	.			trans	-74.5	59	150.6	-76.3	-175.4	175	-177.2	0	108.5	R605	R605-K607 PolarHBondContact O-N 3.05Å
608	C	44	Very low	63.3	Low	70 Å²	70	109.3 Å²	109.3	47%	0.473	55%	0.55	S	S	.	*			trans	-81.6	123.1	163.4	-102.6	0	0	0	0	104.4	C406 C606	C406-C608 WeakPolarHBondContact CB-SG 3.37Å; C406-C608 WeakPolarHBondContact SG-CB 3Å; C406-C608 CovalentContact SG-SG 2.09Å; C406-C608 PolarHBondContact SG-SG 3.2Å; C606-C608 HydrophobicContact CB-CB 4.01Å; C606-C608 PolarHBondContact O-N 3.15Å
609	L	37.9	Very low	61.9	Low	170 Å²	170	111.8 Å²	111.8	89%	0.89	56%	0.557	S	S	*	*			trans	73.6	86.1	-175.3	-66.5	105.6	0	0	0	118.9
610	R	37.1	Very low	60.2	Low	238 Å²	238	118.2 Å²	118.2	90%	0.898	59%	0.59	S	S	*	*	S	Bend	trans	-155.6	74	141.2	-158.5	174.1	-168	169.1	3.3	108
611	N	37.2	Very low	58.3	Low	171 Å²	171	125.6 Å²	125.6	91%	0.914	63%	0.628	S	S	*	*			trans	178	66.1	163.9	-86.8	-6.9	0	0	0	107.2
612	S	35.4	Very low	55.8	Low	185 Å²	185	132.5 Å²	132.5	100%	1.294	66%	0.658	S	S	*	*			trans	-105	0	141.9	67.7	0	0	0	0	106.3

Retrieved 612 of 612 residues in 941.8 ms (Link to these results)

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