A0A3Q0KPN9_SCHMA Loading...

Alzheimer's disease beta-amyloid related

AlphaFold DB , UniProt , Accession A0A3Q0KPN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 692 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	44.5	Very low	45.6	Very low	206 Å²	206	132.9 Å²	132.9	100%	1.015	64%	0.641	S	S	*	*				0	-65.1	0	-74.2	-175.4	175.1	0	0	112.7	F3 N4	M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 2.85Å; M1-N4 WeakPolarHBondContact O-CB 3.39Å; M1-N4 PolarHBondContact O-N 3.46Å
2	F	42.7	Very low	45.1	Very low	189 Å²	189	137.2 Å²	137.2	83%	0.829	65%	0.648	S	S	*	*	H	α-helix	trans	-52.6	-41.4	-175.7	-76.7	-76.3	0	0	0	115.6	N4 F5 L6	F2-N4 VanDerWaalsContact C-N 3.29Å; F2-N4 PolarHBondContact O-N 3.46Å; F2-F5 PolarHBondContact O-N 3.37Å; F2-L6 PolarHBondContact O-N 2.88Å
3	F	46.8	Very low	44.6	Very low	185 Å²	185	136.8 Å²	136.8	81%	0.811	65%	0.653	S	S	*	*	H	α-helix	trans	-57.8	-37.4	175.6	-78.2	-79.3	0	0	0	113.7	M1 F5 L6 G7	M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 2.85Å; F3-F5 VanDerWaalsContact C-N 3.29Å; F3-F5 PolarHBondContact O-N 2.92Å; F3-L6 PolarHBondContact O-N 2.92Å; F3-G7 PolarHBondContact O-N 2.8Å; F3-G7 VanDerWaalsContact O-N 3.09Å
4	N	49.1	Very low	44.2	Very low	106 Å²	106	131 Å²	131	57%	0.567	63%	0.633	S	S	*	*	H	α-helix	trans	-64.5	-36	176.7	-61.3	33.9	0	0	0	110.9	M1 F2 G7 F8	M1-N4 WeakPolarHBondContact O-CB 3.39Å; M1-N4 PolarHBondContact O-N 3.46Å; F2-N4 VanDerWaalsContact C-N 3.29Å; F2-N4 PolarHBondContact O-N 3.46Å; N4-G7 PolarHBondContact O-N 3.45Å; N4-F8 HydrophobicContact CB-CD2 4.45Å; N4-F8 WeakPolarHBondContact O-CB 3.5Å; N4-F8 VanDerWaalsContact O-CD2 3.32Å; N4-F8 WeakPolarHBondContact O-CD2 3.45Å; N4-F8 PolarHBondContact O-N 2.91Å
5	F	47	Very low	43.6	Very low	153 Å²	153	129.7 Å²	129.7	67%	0.671	63%	0.629	S	S	*	*	H	α-helix	trans	-68.1	-37.6	-178.2	-123	-80.3	0	0	0	112.6	F2 F3 L9	F2-F5 PolarHBondContact O-N 3.37Å; F3-F5 VanDerWaalsContact C-N 3.29Å; F3-F5 PolarHBondContact O-N 2.92Å; F5-L9 HydrophobicContact CD1-CD1 4.4Å; F5-L9 WeakPolarHBondContact O-CB 3.34Å; F5-L9 WeakPolarHBondContact O-CG 3.45Å; F5-L9 PolarHBondContact O-N 3.08Å
6	L	47.9	Very low	43.2	Very low	116 Å²	116	128 Å²	128	61%	0.607	63%	0.628	S	S	*	*	H	α-helix	trans	-70.5	-39.3	173.9	-168.5	65.5	0	0	0	111.3	F2 F3 L9 I10	F2-L6 PolarHBondContact O-N 2.88Å; F3-L6 PolarHBondContact O-N 2.92Å; L6-L9 PolarHBondContact O-N 3.22Å; L6-I10 HydrophobicContact CG-CD1 4.29Å; L6-I10 WeakPolarHBondContact O-CG1 3.27Å; L6-I10 PolarHBondContact O-N 2.97Å
7	G	47.1	Very low	42.9	Very low	29 Å²	29	125.4 Å²	125.4	30%	0.299	62%	0.617	S	S	.	*	H	α-helix	trans	-57.5	-53.5	171	0	0	0	0	0	112.1	F3 N4 L9 I10 F11	F3-G7 PolarHBondContact O-N 2.8Å; F3-G7 VanDerWaalsContact O-N 3.09Å; N4-G7 PolarHBondContact O-N 3.45Å; G7-L9 VanDerWaalsContact C-N 3.32Å; G7-L9 PolarHBondContact O-N 2.99Å; G7-I10 PolarHBondContact O-N 3.37Å; G7-I10 VanDerWaalsContact O-N 3.1Å; G7-F11 WeakPolarHBondContact O-CD2 2.94Å; G7-F11 PolarHBondContact O-N 3.36Å
8	F	47.2	Very low	42.8	Very low	143 Å²	143	119.4 Å²	119.4	63%	0.627	59%	0.593	S	S	*	*	H	α-helix	trans	-58.2	-40.1	177.6	-93.3	-75.2	0	0	0	112.7	N4 F11 Y12	N4-F8 HydrophobicContact CB-CD2 4.45Å; N4-F8 WeakPolarHBondContact O-CB 3.5Å; N4-F8 VanDerWaalsContact O-CD2 3.32Å; N4-F8 WeakPolarHBondContact O-CD2 3.45Å; N4-F8 PolarHBondContact O-N 2.91Å; F8-F11 PolarHBondContact O-N 3.15Å; F8-Y12 WeakPolarHBondContact O-CB 3.39Å; F8-Y12 PolarHBondContact O-N 2.86Å
9	L	44.7	Very low	42.8	Very low	95 Å²	95	114.4 Å²	114.4	50%	0.497	57%	0.567	S	S	.	*	H	α-helix	trans	-68.4	-32.2	176.5	-74.6	171.3	0	0	0	113.1	F5 L6 G7 N13	F5-L9 HydrophobicContact CD1-CD1 4.4Å; F5-L9 WeakPolarHBondContact O-CB 3.34Å; F5-L9 WeakPolarHBondContact O-CG 3.45Å; F5-L9 PolarHBondContact O-N 3.08Å; L6-L9 PolarHBondContact O-N 3.22Å; G7-L9 VanDerWaalsContact C-N 3.32Å; G7-L9 PolarHBondContact O-N 2.99Å; L9-N13 PolarHBondContact O-ND2 3.49Å
10	I	45.7	Very low	43.3	Very low	102 Å²	102	108.8 Å²	108.8	52%	0.523	54%	0.54	S	S	.	.	H	α-helix	trans	-71.3	-46.8	172.4	-67.8	166.5	0	0	0	110.1	L6 G7 N13 C14	L6-I10 HydrophobicContact CG-CD1 4.29Å; L6-I10 WeakPolarHBondContact O-CG1 3.27Å; L6-I10 PolarHBondContact O-N 2.97Å; G7-I10 PolarHBondContact O-N 3.37Å; G7-I10 VanDerWaalsContact O-N 3.1Å; I10-N13 PolarHBondContact O-N 2.96Å; I10-C14 PolarHBondContact O-N 3.15Å; I10-C14 PolarHBondContact O-SG 3.21Å
11	F	39.4	Very low	44.3	Very low	138 Å²	138	104.1 Å²	104.1	61%	0.605	52%	0.517	S	S	*	.	H	α-helix	trans	-60.2	-48.7	177.9	-92.3	-92.4	0	0	0	112.5	G7 F8 N13 C14 I15	G7-F11 WeakPolarHBondContact O-CD2 2.94Å; G7-F11 PolarHBondContact O-N 3.36Å; F8-F11 PolarHBondContact O-N 3.15Å; F11-N13 PolarHBondContact O-N 2.82Å; F11-C14 PolarHBondContact O-N 3.15Å; F11-I15 WeakPolarHBondContact O-CG1 3.37Å
12	Y	39.4	Very low	46.1	Very low	184 Å²	184	95 Å²	95	72%	0.722	47%	0.471	S	S	*	.	H	α-helix	trans	-66.7	-22.2	-176.2	-131.3	-90	0	0	0	113.8	F8	F8-Y12 WeakPolarHBondContact O-CB 3.39Å; F8-Y12 PolarHBondContact O-N 2.86Å
13	N	38.3	Very low	48.4	Very low	133 Å²	133	86 Å²	86	71%	0.711	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-2.6	174.8	-73.2	-81.7	0	0	0	113.6	L9 I10 F11	L9-N13 PolarHBondContact O-ND2 3.49Å; I10-N13 PolarHBondContact O-N 2.96Å; F11-N13 PolarHBondContact O-N 2.82Å
14	C	38.9	Very low	50.6	Low	55 Å²	55	77.2 Å²	77.2	37%	0.372	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-0.6	-179.2	-73.8	0	0	0	0	114.6	I10 F11 V16	I10-C14 PolarHBondContact O-N 3.15Å; I10-C14 PolarHBondContact O-SG 3.21Å; F11-C14 PolarHBondContact O-N 3.15Å; C14-V16 VanDerWaalsContact C-N 3.31Å; C14-V16 PolarHBondContact O-N 3.48Å
15	I	35.4	Very low	52.7	Low	112 Å²	112	72.2 Å²	72.2	57%	0.574	37%	0.367	S	S	*	.	S	Bend	trans	-80	-8.2	-175.1	-75.4	165	0	0	0	113.5	F11	F11-I15 WeakPolarHBondContact O-CG1 3.37Å
16	V	36.8	Very low	54.9	Low	102 Å²	102	66.1 Å²	66.1	62%	0.618	34%	0.34	S	S	*	.	S	Bend	trans	-114.9	157.4	-179.2	-170.9	0	0	0	0	110	C14	C14-V16 VanDerWaalsContact C-N 3.31Å; C14-V16 PolarHBondContact O-N 3.48Å
17	L	38.9	Very low	56.8	Low	83 Å²	83	64.3 Å²	64.3	44%	0.435	33%	0.328	S	S	.	.			trans	87.5	26	179.4	-50.9	172.2	0	0	0	117.7	H19 E65	L17-H19 PolarHBondContact O-N 3.19Å; L17-E65 HydrophobicContact CD2-CB 4.42Å; L17-E65 HydrophobicContact CD2-CG 3.43Å; L17-E65 VanDerWaalsContact CD2-CG 3.43Å
18	G	40.1	Very low	58.8	Low	18 Å²	18	66.4 Å²	66.4	19%	0.186	34%	0.338	C	S	.	.			trans	-60.3	130.1	160.5	0	0	0	0	0	111.1	S20 Y22 N37	G18-S20 PolarHBondContact O-N 3.46Å; G18-Y22 PolarHBondContact O-OH 2.71Å; G18-N37 PolarHBondContact O-OD1 3.13Å
19	H	43.2	Very low	60.6	Low	24 Å²	24	61.5 Å²	61.5	11%	0.111	33%	0.327	C	S	.	.			trans	-75.8	87.7	174	-101.2	-93.6	0	0	0	110.1	L17 R66 L374 N378 R381	L17-H19 PolarHBondContact O-N 3.19Å; H19-R66 PolarHBondContact NE2-NH1 2.84Å; H19-R66 VanDerWaalsContact NE2-NH1 3.14Å; H19-L374 HydrophobicContact CB-CD1 4.49Å; H19-N378 PolarHBondContact CD2-ND2 2.85Å; H19-N378 PolarHBondContact CD2-OD1 3.33Å; H19-N378 VanDerWaalsContact CD2-OD1 3.27Å; H19-N378 PolarHBondContact NE2-OD1 3.42Å; H19-R381 PolarHBondContact NE2-NH2 3.01Å
20	S	52.5	Low	62.6	Low	3 Å²	3	58 Å²	58	2%	0.021	31%	0.308	C	S	.	.			trans	-80.6	159.4	146.8	170.4	0	0	0	0	109.1	G18 Y22 N36 F174	G18-S20 PolarHBondContact O-N 3.46Å; S20-Y22 VanDerWaalsContact C-N 3.33Å; S20-Y22 PolarHBondContact O-N 2.84Å; S20-N36 WeakPolarHBondContact CB-O 3.43Å; S20-N36 PolarHBondContact OG-O 2.88Å; S20-F174 WeakPolarHBondContact CA-O 3.22Å
21	L	65.6	Low	64.7	Low	11 Å²	11	53.4 Å²	53.4	6%	0.058	29%	0.285	C	S	.	.			trans	-65.9	92.1	167	-80	165.6	0	0	0	109.3	S23 I109 C168 I169 F174 M177	L21-S23 VanDerWaalsContact O-CB 3.29Å; L21-S23 WeakPolarHBondContact O-CB 3.39Å; L21-S23 PolarHBondContact O-N 2.87Å; L21-S23 PolarHBondContact O-OG 3.25Å; L21-I109 HydrophobicContact CD2-CG2 4.41Å; L21-C168 WeakPolarHBondContact CD1-O 3.33Å; L21-I169 HydrophobicContact CD1-CG1 4.39Å; L21-F174 PolarHBondContact N-O 3.48Å; L21-F174 VanDerWaalsContact N-O 3.11Å; L21-M177 HydrophobicContact CD2-SD 3.65Å
22	Y	81.3	Confident	67.2	Low	14 Å²	14	46.8 Å²	46.8	6%	0.055	26%	0.256	C	S	.	.			trans	-52.7	110.2	176.8	-56.6	-56.8	0	0	0	110.3	G18 S20 Y63 R66 I109 C110	G18-Y22 PolarHBondContact O-OH 2.71Å; S20-Y22 VanDerWaalsContact C-N 3.33Å; S20-Y22 PolarHBondContact O-N 2.84Å; Y22-Y63 AromaticContact CD1-CD1 3.61Å; Y22-Y63 HydrophobicContact CD1-CD1 3.61Å; Y22-Y63 AromaticContact CD1-CE1 3.45Å; Y22-Y63 HydrophobicContact CD1-CE1 3.45Å; Y22-Y63 VanDerWaalsContact CD1-CE1 3.45Å; Y22-Y63 HydrophobicContact CD1-CG 4.2Å; Y22-Y63 AromaticContact CD1-CZ 3.92Å; Y22-Y63 HydrophobicContact CE1-CD1 4.28Å; Y22-Y63 HydrophobicContact CE1-CE1 4.3Å; Y22-Y63 HydrophobicContact CG-CD1 4.23Å; Y22-Y63 HydrophobicContact CG-CE1 4.21Å; Y22-Y63 HydrophobicContact CG-CG 4.38Å; Y22-R66 VanDerWaalsContact CZ-CZ 3.5Å; Y22-R66 PolarHBondContact OH-NE 2.86Å; Y22-R66 VanDerWaalsContact OH-NE 3.16Å; Y22-R66 PolarHBondContact OH-NH2 3.1Å; Y22-I109 CarbonylContact O-C 3.53Å; Y22-I109 WeakPolarHBondContact O-CA 3.39Å; Y22-C110 WeakPolarHBondContact O-CB 3.3Å; Y22-C110 PolarHBondContact O-N 3.44Å
23	S	90.1	Very high	69.7	Low	0 Å²	0	38 Å²	38	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	135.9	-166.3	-59.2	0	0	0	0	109.8	L21 Y34 L35 W40 Y63 F108 I169	L21-S23 VanDerWaalsContact O-CB 3.29Å; L21-S23 WeakPolarHBondContact O-CB 3.39Å; L21-S23 PolarHBondContact O-N 2.87Å; L21-S23 PolarHBondContact O-OG 3.25Å; S23-Y34 CarbonylContact O-C 2.87Å; S23-Y34 WeakPolarHBondContact O-CA 3.29Å; S23-L35 PolarHBondContact O-N 3.46Å; S23-W40 WeakPolarHBondContact O-CZ3 3.31Å; S23-Y63 PolarHBondContact N-OH 3.1Å; S23-Y63 PolarHBondContact O-OH 3.36Å; S23-F108 CarbonylContact C-O 3.21Å; S23-F108 VanDerWaalsContact CA-O 3.28Å; S23-F108 WeakPolarHBondContact CA-O 3.3Å; S23-I169 WeakPolarHBondContact OG-CD1 3.38Å
24	V	93.8	Very high	72.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	142.4	178.4	-62.5	0	0	0	0	109	F26 I33 I55 Y58 Y63 F108	V24-F26 HydrophobicContact CB-CE2 4.17Å; V24-F26 HydrophobicContact CB-CZ 4.05Å; V24-F26 HydrophobicContact CG2-CE2 3.68Å; V24-F26 HydrophobicContact CG2-CZ 3.83Å; V24-I33 CarbonylContact C-O 3.52Å; V24-I33 WeakPolarHBondContact CA-O 3.5Å; V24-I55 HydrophobicContact CG2-CG2 4.02Å; V24-Y58 HydrophobicContact CB-CD1 3.93Å; V24-Y58 HydrophobicContact CB-CE1 3.87Å; V24-Y58 HydrophobicContact CG1-CD1 3.69Å; V24-Y58 HydrophobicContact CG1-CE1 3.57Å; V24-Y58 HydrophobicContact CG2-CD1 4.24Å; V24-Y63 HydrophobicContact CG1-CE2 4.06Å; V24-F108 HydrophobicContact CG2-CB 4.09Å; V24-F108 PolarHBondContact N-O 2.87Å; V24-F108 PolarHBondContact O-N 2.92Å
25	A	93.4	Very high	74.5	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.3	176.4	0	0	0	0	0	111	I33 W40 I105	A25-I33 HydrophobicContact CB-CD1 4.05Å; A25-I33 HydrophobicContact CB-CG1 3.76Å; A25-I33 PolarHBondContact N-O 2.8Å; A25-I33 PolarHBondContact O-N 2.96Å; A25-W40 HydrophobicContact CB-CH2 4.46Å; A25-W40 HydrophobicContact CB-CZ3 4.13Å; A25-I105 HydrophobicContact CB-CB 4.22Å; A25-I105 HydrophobicContact CB-CD1 4.02Å
26	F	92.7	Very high	76.6	Confident	26 Å²	26	29.8 Å²	29.8	11%	0.114	17%	0.171	C	C	.	.			trans	-137	140.4	-170.3	-54.1	-80	0	0	0	109.9	V24 A32 Q46 C48 L49 I55 Y58 F108	V24-F26 HydrophobicContact CB-CE2 4.17Å; V24-F26 HydrophobicContact CB-CZ 4.05Å; V24-F26 HydrophobicContact CG2-CE2 3.68Å; V24-F26 HydrophobicContact CG2-CZ 3.83Å; F26-A32 HydrophobicContact CD1-CB 3.62Å; F26-A32 HydrophobicContact CE1-CB 3.67Å; F26-Q46 HydrophobicContact CE1-CG 4.44Å; F26-C48 HydrophobicContact CB-CB 4.19Å; F26-L49 HydrophobicContact CD1-CB 4.1Å; F26-L49 HydrophobicContact CD1-CG 4.27Å; F26-L49 HydrophobicContact CD2-CB 4.46Å; F26-L49 HydrophobicContact CE1-CB 3.98Å; F26-L49 HydrophobicContact CE1-CD1 3.78Å; F26-L49 HydrophobicContact CE1-CG 3.91Å; F26-L49 HydrophobicContact CE2-CB 4.36Å; F26-L49 HydrophobicContact CG-CB 4.34Å; F26-L49 HydrophobicContact CZ-CB 4.11Å; F26-L49 HydrophobicContact CZ-CD1 3.89Å; F26-L49 HydrophobicContact CZ-CG 4.32Å; F26-I55 HydrophobicContact CD2-CD1 4.46Å; F26-I55 HydrophobicContact CD2-CG1 4.33Å; F26-I55 HydrophobicContact CE2-CB 4.34Å; F26-I55 HydrophobicContact CE2-CD1 4.24Å; F26-I55 HydrophobicContact CE2-CG1 3.74Å; F26-I55 HydrophobicContact CE2-CG2 3.94Å; F26-I55 HydrophobicContact CZ-CG1 4.28Å; F26-I55 HydrophobicContact CZ-CG2 4.5Å; F26-Y58 AromaticContact CE1-CD1 3.83Å; F26-Y58 HydrophobicContact CE1-CD1 3.83Å; F26-Y58 AromaticContact CE1-CE1 3.99Å; F26-Y58 HydrophobicContact CE1-CE1 3.99Å; F26-Y58 HydrophobicContact CE1-CG 4.3Å; F26-Y58 AromaticContact CZ-CD1 3.52Å; F26-Y58 HydrophobicContact CZ-CD1 3.52Å; F26-Y58 HydrophobicContact CZ-CE1 4.01Å; F26-Y58 HydrophobicContact CZ-CG 4.16Å; F26-F108 HydrophobicContact CD2-CD2 4.11Å; F26-F108 HydrophobicContact CD2-CE2 4.19Å; F26-F108 HydrophobicContact CE2-CD2 4.29Å
27	E	89	Confident	78	Confident	77 Å²	77	27.8 Å²	27.8	36%	0.36	16%	0.157	S	C	.	.			trans	-143.6	128.3	169.5	-169.1	-172.4	136	0	0	107.7	G29 K30 W84	E27-G29 PolarHBondContact O-N 2.89Å; E27-K30 HydrophobicContact CB-CB 4.49Å; E27-K30 HydrophobicContact CB-CD 4.26Å; E27-K30 HydrophobicContact CG-CD 4.41Å; E27-K30 PolarHBondContact O-N 3.38Å; E27-K30 VanDerWaalsContact O-N 3.12Å; E27-K30 WeakPolarHBondContact OE1-CE 3.16Å; E27-K30 IonicContact OE1-NZ 2.87Å; E27-K30 PolarHBondContact OE1-NZ 2.91Å; E27-K30 IonicContact OE2-NZ 2.88Å; E27-K30 PolarHBondContact OE2-NZ 2.83Å; E27-W84 HydrophobicContact CB-CH2 3.76Å; E27-W84 HydrophobicContact CB-CZ2 3.91Å; E27-W84 WeakPolarHBondContact OE2-CH2 3.48Å; E27-W84 WeakPolarHBondContact OE2-CZ3 3.4Å
28	C	88.2	Confident	79.3	Confident	73 Å²	73	29.9 Å²	29.9	49%	0.493	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	137.1	-174	-66.9	0	0	0	0	112	C48	C28-C48 WeakPolarHBondContact CA-SG 3.27Å; C28-C48 HydrophobicContact CB-CB 3.92Å; C28-C48 WeakPolarHBondContact CB-SG 3.42Å; C28-C48 WeakPolarHBondContact SG-CB 3.37Å; C28-C48 CovalentContact SG-SG 2.05Å; C28-C48 PolarHBondContact SG-SG 2.92Å
29	G	84.4	Confident	81.1	Confident	40 Å²	40	34.7 Å²	34.7	41%	0.412	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-19.7	-169.4	0	0	0	0	0	114.3	E27 E86 F87	E27-G29 PolarHBondContact O-N 2.89Å; G29-E86 CarbonylContact O-C 3.55Å; G29-E86 VanDerWaalsContact O-CA 3.22Å; G29-E86 WeakPolarHBondContact O-CA 3.49Å; G29-F87 WeakPolarHBondContact O-CD2 3.27Å; G29-F87 PolarHBondContact O-N 3.07Å
30	K	87.2	Confident	83.1	Confident	22 Å²	22	35 Å²	35	10%	0.096	18%	0.18	C	C	.	.	S	Bend	trans	-107.6	160.2	177.8	-64.7	-177.1	-172.7	163.3	0	112.1	E27 W84 E86 F87	E27-K30 HydrophobicContact CB-CB 4.49Å; E27-K30 HydrophobicContact CB-CD 4.26Å; E27-K30 HydrophobicContact CG-CD 4.41Å; E27-K30 PolarHBondContact O-N 3.38Å; E27-K30 VanDerWaalsContact O-N 3.12Å; E27-K30 WeakPolarHBondContact OE1-CE 3.16Å; E27-K30 IonicContact OE1-NZ 2.87Å; E27-K30 PolarHBondContact OE1-NZ 2.91Å; E27-K30 IonicContact OE2-NZ 2.88Å; E27-K30 PolarHBondContact OE2-NZ 2.83Å; K30-W84 HydrophobicContact CB-CZ2 4.09Å; K30-W84 HydrophobicContact CD-CD2 3.79Å; K30-W84 HydrophobicContact CD-CE3 3.87Å; K30-W84 HydrophobicContact CD-CH2 3.79Å; K30-W84 HydrophobicContact CD-CZ2 3.67Å; K30-W84 HydrophobicContact CD-CZ3 3.88Å; K30-E86 HydrophobicContact CG-CG 4.36Å; K30-F87 WeakPolarHBondContact O-CE2 3.18Å
31	P	89.6	Confident	84.8	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.032	19%	0.189	C	C	.	.			trans	-66.8	150	168.2	29.9	-35.3	0	0	0	111.2	D43 L44 Q46 W84 C85 F87	P31-D43 WeakPolarHBondContact CB-O 3.37Å; P31-L44 HydrophobicContact CB-CD2 3.95Å; P31-L44 HydrophobicContact CG-CD2 3.93Å; P31-Q46 WeakPolarHBondContact CA-O 3.31Å; P31-W84 PolarHBondContact O-NE1 2.99Å; P31-C85 WeakPolarHBondContact CD-O 3.3Å; P31-F87 VanDerWaalsContact CA-CZ 3.47Å; P31-F87 HydrophobicContact CB-CE1 3.95Å; P31-F87 HydrophobicContact CB-CZ 3.96Å
32	A	92.2	Very high	85.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	153.4	171.7	0	0	0	0	0	111.1	F26 D43 Q46 Y58	F26-A32 HydrophobicContact CD1-CB 3.62Å; F26-A32 HydrophobicContact CE1-CB 3.67Å; A32-D43 PolarHBondContact O-N 3.35Å; A32-Q46 HydrophobicContact CB-CB 3.9Å; A32-Q46 HydrophobicContact CB-CG 3.69Å; A32-Q46 PolarHBondContact N-O 2.65Å; A32-Y58 HydrophobicContact CB-CE1 4.36Å
33	I	91.7	Very high	86.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.6	172.4	58.9	176.4	0	0	0	111	V24 A25 W40 V41 T42 L81 W84 I105	V24-I33 CarbonylContact C-O 3.52Å; V24-I33 WeakPolarHBondContact CA-O 3.5Å; A25-I33 HydrophobicContact CB-CD1 4.05Å; A25-I33 HydrophobicContact CB-CG1 3.76Å; A25-I33 PolarHBondContact N-O 2.8Å; A25-I33 PolarHBondContact O-N 2.96Å; I33-W40 HydrophobicContact CB-CE3 4.09Å; I33-W40 HydrophobicContact CD1-CD2 4.2Å; I33-W40 HydrophobicContact CD1-CE3 3.72Å; I33-W40 HydrophobicContact CD1-CZ3 4.25Å; I33-W40 HydrophobicContact CG1-CE3 3.74Å; I33-W40 HydrophobicContact CG1-CZ3 4.09Å; I33-V41 CarbonylContact C-O 3.57Å; I33-V41 WeakPolarHBondContact CA-O 3.37Å; I33-T42 HydrophobicContact CG2-CG2 3.76Å; I33-L81 HydrophobicContact CD1-CD1 3.72Å; I33-L81 HydrophobicContact CD1-CD2 4.39Å; I33-W84 HydrophobicContact CD1-CZ2 4.47Å; I33-W84 HydrophobicContact CG2-CG 4.38Å; I33-I105 HydrophobicContact CD1-CD1 3.89Å; I33-I105 HydrophobicContact CD1-CG2 4.06Å
34	Y	91.9	Very high	85.9	Confident	64 Å²	64	45.1 Å²	45.1	25%	0.251	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.4	174.6	67.8	-89.3	0	0	0	111.3	S23 W40 V41 D43 V62 Y63	S23-Y34 CarbonylContact O-C 2.87Å; S23-Y34 WeakPolarHBondContact O-CA 3.29Å; Y34-W40 CarbonylContact O-C 3.23Å; Y34-W40 WeakPolarHBondContact O-CA 3.41Å; Y34-V41 HydrophobicContact CD1-CB 4.22Å; Y34-V41 HydrophobicContact CD2-CB 4.35Å; Y34-V41 HydrophobicContact CE1-CB 3.81Å; Y34-V41 HydrophobicContact CE1-CG1 3.78Å; Y34-V41 HydrophobicContact CE2-CB 3.95Å; Y34-V41 HydrophobicContact CE2-CG1 4.38Å; Y34-V41 HydrophobicContact CE2-CG2 4.26Å; Y34-V41 HydrophobicContact CG-CB 4.49Å; Y34-V41 PolarHBondContact N-O 3.27Å; Y34-V41 PolarHBondContact O-N 3.48Å; Y34-D43 HydrophobicContact CD1-CB 4.46Å; Y34-D43 HydrophobicContact CE1-CB 4.44Å; Y34-V62 HydrophobicContact CD1-CG1 4.07Å; Y34-V62 HydrophobicContact CD1-CG2 4.39Å; Y34-V62 HydrophobicContact CD2-CG1 3.36Å; Y34-V62 HydrophobicContact CE1-CG1 4.4Å; Y34-V62 HydrophobicContact CE2-CG1 3.76Å; Y34-V62 HydrophobicContact CG-CG1 3.53Å; Y34-V62 HydrophobicContact CG-CG2 4.46Å; Y34-Y63 HydrophobicContact CD2-CE1 4.45Å
35	L	86.7	Confident	85.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.4	-179.2	-174.8	48.4	0	0	0	109.7	S23 W40 Y63 F174	S23-L35 PolarHBondContact O-N 3.46Å; L35-W40 HydrophobicContact CB-CD2 3.99Å; L35-W40 HydrophobicContact CB-CE3 3.97Å; L35-W40 HydrophobicContact CB-CH2 3.99Å; L35-W40 HydrophobicContact CB-CZ2 4Å; L35-W40 HydrophobicContact CB-CZ3 3.98Å; L35-W40 HydrophobicContact CD1-CD2 4.19Å; L35-W40 HydrophobicContact CD1-CG 4.14Å; L35-W40 HydrophobicContact CD2-CH2 4.49Å; L35-W40 HydrophobicContact CD2-CZ2 3.86Å; L35-W40 HydrophobicContact CG-CZ2 4.38Å; L35-Y63 PolarHBondContact N-OH 2.93Å; L35-Y63 PolarHBondContact O-OH 3.01Å; L35-F174 HydrophobicContact CD1-CD2 4.28Å; L35-F174 HydrophobicContact CD1-CG 4.34Å; L35-F174 HydrophobicContact CD2-CB 4.19Å; L35-F174 HydrophobicContact CD2-CD1 3.99Å; L35-F174 HydrophobicContact CD2-CG 4.08Å
36	N	78.8	Confident	85.4	Confident	62 Å²	62	52.5 Å²	52.5	33%	0.332	28%	0.28	S	S	.	.			trans	-86.8	-168.8	169.9	-165.2	3	0	0	0	109.5	S20 E38 F39 V41	S20-N36 WeakPolarHBondContact CB-O 3.43Å; S20-N36 PolarHBondContact OG-O 2.88Å; N36-E38 PolarHBondContact O-N 3.48Å; N36-E38 VanDerWaalsContact O-N 3.12Å; N36-F39 VanDerWaalsContact CB-O 3.32Å; N36-F39 WeakPolarHBondContact CB-O 3.17Å; N36-F39 PolarHBondContact N-O 2.91Å; N36-V41 HydrophobicContact CB-CG2 3.96Å
37	N	66.9	Low	85.1	Confident	61 Å²	61	52.4 Å²	52.4	33%	0.326	29%	0.286	S	S	.	.	S	Bend	trans	-52.9	-32.4	179.7	-70.8	-10	0	0	0	114.3	G18	G18-N37 PolarHBondContact O-OD1 3.13Å
38	E	66	Low	85.2	Confident	127 Å²	127	50.8 Å²	50.8	59%	0.593	28%	0.283	S	S	*	.	S	Bend	trans	-137.7	-22.9	-173.7	-60.2	-172	130.8	0	0	114.9	N36	N36-E38 PolarHBondContact O-N 3.48Å; N36-E38 VanDerWaalsContact O-N 3.12Å
39	F	77.5	Confident	85.3	Confident	119 Å²	119	48.9 Å²	48.9	52%	0.522	27%	0.268	S	S	.	.	S	Bend	trans	-143.9	157.2	-173.2	56.1	-90.5	0	0	0	112.8	N36 V41	N36-F39 VanDerWaalsContact CB-O 3.32Å; N36-F39 WeakPolarHBondContact CB-O 3.17Å; N36-F39 PolarHBondContact N-O 2.91Å; F39-V41 HydrophobicContact CD2-CG2 3.78Å; F39-V41 HydrophobicContact CE2-CG2 3.65Å
40	W	85.9	Confident	85.4	Confident	29 Å²	29	55 Å²	55	11%	0.11	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.3	174.2	-69.4	88.7	0	0	0	111	S23 A25 I33 Y34 L35 I77 L81 I105 P107 I169	S23-W40 WeakPolarHBondContact O-CZ3 3.31Å; A25-W40 HydrophobicContact CB-CH2 4.46Å; A25-W40 HydrophobicContact CB-CZ3 4.13Å; I33-W40 HydrophobicContact CB-CE3 4.09Å; I33-W40 HydrophobicContact CD1-CD2 4.2Å; I33-W40 HydrophobicContact CD1-CE3 3.72Å; I33-W40 HydrophobicContact CD1-CZ3 4.25Å; I33-W40 HydrophobicContact CG1-CE3 3.74Å; I33-W40 HydrophobicContact CG1-CZ3 4.09Å; Y34-W40 CarbonylContact O-C 3.23Å; Y34-W40 WeakPolarHBondContact O-CA 3.41Å; L35-W40 HydrophobicContact CB-CD2 3.99Å; L35-W40 HydrophobicContact CB-CE3 3.97Å; L35-W40 HydrophobicContact CB-CH2 3.99Å; L35-W40 HydrophobicContact CB-CZ2 4Å; L35-W40 HydrophobicContact CB-CZ3 3.98Å; L35-W40 HydrophobicContact CD1-CD2 4.19Å; L35-W40 HydrophobicContact CD1-CG 4.14Å; L35-W40 HydrophobicContact CD2-CH2 4.49Å; L35-W40 HydrophobicContact CD2-CZ2 3.86Å; L35-W40 HydrophobicContact CG-CZ2 4.38Å; W40-I77 HydrophobicContact CZ2-CD1 4.29Å; W40-L81 HydrophobicContact CB-CD2 3.51Å; W40-L81 HydrophobicContact CG-CD2 4.13Å; W40-I105 HydrophobicContact CD2-CD1 4.16Å; W40-I105 HydrophobicContact CE3-CD1 4.31Å; W40-I105 HydrophobicContact CH2-CD1 3.78Å; W40-I105 HydrophobicContact CZ2-CD1 3.59Å; W40-I105 HydrophobicContact CZ3-CD1 4.13Å; W40-P107 HydrophobicContact CH2-CB 3.9Å; W40-P107 HydrophobicContact CZ2-CB 4.45Å; W40-I169 HydrophobicContact CH2-CD1 4.28Å; W40-I169 HydrophobicContact CZ2-CD1 4.05Å
41	V	86.8	Confident	85.6	Confident	33 Å²	33	58 Å²	58	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.5	-177.1	-175.1	0	0	0	0	109.7	I33 Y34 N36 F39	I33-V41 CarbonylContact C-O 3.57Å; I33-V41 WeakPolarHBondContact CA-O 3.37Å; Y34-V41 HydrophobicContact CD1-CB 4.22Å; Y34-V41 HydrophobicContact CD2-CB 4.35Å; Y34-V41 HydrophobicContact CE1-CB 3.81Å; Y34-V41 HydrophobicContact CE1-CG1 3.78Å; Y34-V41 HydrophobicContact CE2-CB 3.95Å; Y34-V41 HydrophobicContact CE2-CG1 4.38Å; Y34-V41 HydrophobicContact CE2-CG2 4.26Å; Y34-V41 HydrophobicContact CG-CB 4.49Å; Y34-V41 PolarHBondContact N-O 3.27Å; Y34-V41 PolarHBondContact O-N 3.48Å; N36-V41 HydrophobicContact CB-CG2 3.96Å; F39-V41 HydrophobicContact CD2-CG2 3.78Å; F39-V41 HydrophobicContact CE2-CG2 3.65Å
42	T	87.4	Confident	85.6	Confident	59 Å²	59	64.3 Å²	64.3	36%	0.362	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123	-179.4	44.7	0	0	0	0	112.3	I33	I33-T42 HydrophobicContact CG2-CG2 3.76Å
43	D	89	Confident	85.6	Confident	21 Å²	21	69.6 Å²	69.6	11%	0.112	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	95.1	170.5	-175.8	-0	0	0	0	110.3	P31 A32 Y34 T45 Q46 Y58 K61	P31-D43 WeakPolarHBondContact CB-O 3.37Å; A32-D43 PolarHBondContact O-N 3.35Å; Y34-D43 HydrophobicContact CD1-CB 4.46Å; Y34-D43 HydrophobicContact CE1-CB 4.44Å; D43-T45 VanDerWaalsContact CG-OG1 3.25Å; D43-T45 PolarHBondContact O-N 3.43Å; D43-T45 VanDerWaalsContact O-N 3.1Å; D43-T45 WeakPolarHBondContact OD1-CA 3.36Å; D43-T45 VanDerWaalsContact OD1-CB 3.26Å; D43-T45 WeakPolarHBondContact OD1-CB 3.49Å; D43-T45 PolarHBondContact OD1-N 2.84Å; D43-T45 PolarHBondContact OD1-OG1 2.7Å; D43-T45 PolarHBondContact OD2-OG1 3.4Å; D43-Q46 HydrophobicContact CB-CB 4.34Å; D43-Q46 PolarHBondContact O-N 2.74Å; D43-Q46 VanDerWaalsContact O-N 3.15Å; D43-Y58 VanDerWaalsContact CB-OH 3.23Å; D43-Y58 WeakPolarHBondContact CB-OH 3.47Å; D43-Y58 WeakPolarHBondContact OD2-CE2 3.37Å; D43-Y58 PolarHBondContact OD2-OH 2.92Å; D43-K61 IonicContact OD2-NZ 3.71Å; D43-K61 PolarHBondContact OD2-NZ 3.06Å
44	L	85.3	Confident	85.8	Confident	129 Å²	129	70.7 Å²	70.7	68%	0.675	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.4	176.4	-58.8	-178.3	0	0	0	113.9	P31	P31-L44 HydrophobicContact CB-CD2 3.95Å; P31-L44 HydrophobicContact CG-CD2 3.93Å
45	T	86	Confident	85.9	Confident	111 Å²	111	67.7 Å²	67.7	68%	0.681	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.2	176	75.1	0	0	0	0	113.4	D43 K61	D43-T45 VanDerWaalsContact CG-OG1 3.25Å; D43-T45 PolarHBondContact O-N 3.43Å; D43-T45 VanDerWaalsContact O-N 3.1Å; D43-T45 WeakPolarHBondContact OD1-CA 3.36Å; D43-T45 VanDerWaalsContact OD1-CB 3.26Å; D43-T45 WeakPolarHBondContact OD1-CB 3.49Å; D43-T45 PolarHBondContact OD1-N 2.84Å; D43-T45 PolarHBondContact OD1-OG1 2.7Å; D43-T45 PolarHBondContact OD2-OG1 3.4Å; T45-K61 PolarHBondContact OG1-NZ 3.1Å
46	Q	90	Very high	86.2	Confident	44 Å²	44	68.7 Å²	68.7	21%	0.206	36%	0.361	C	S	.	.			trans	-121.7	125.5	-172.1	-176.8	59.1	60.8	0	0	111.3	F26 P31 A32 D43 Y58	F26-Q46 HydrophobicContact CE1-CG 4.44Å; P31-Q46 WeakPolarHBondContact CA-O 3.31Å; A32-Q46 HydrophobicContact CB-CB 3.9Å; A32-Q46 HydrophobicContact CB-CG 3.69Å; A32-Q46 PolarHBondContact N-O 2.65Å; D43-Q46 HydrophobicContact CB-CB 4.34Å; D43-Q46 PolarHBondContact O-N 2.74Å; D43-Q46 VanDerWaalsContact O-N 3.15Å; Q46-Y58 HydrophobicContact CB-CD2 4.34Å; Q46-Y58 HydrophobicContact CB-CE2 3.72Å; Q46-Y58 HydrophobicContact CG-CD2 3.69Å; Q46-Y58 HydrophobicContact CG-CE2 3.49Å; Q46-Y58 VanDerWaalsContact CG-CE2 3.49Å; Q46-Y58 HydrophobicContact CG-CG 4.48Å
47	G	86.7	Confident	87	Confident	24 Å²	24	69.7 Å²	69.7	25%	0.247	37%	0.366	C	S	.	.			trans	-85.9	-171.9	168.2	0	0	0	0	0	112.2
48	C	90	Very high	88.4	Confident	43 Å²	43	67 Å²	67	29%	0.291	35%	0.352	S	S	.	.			trans	-59.8	150.5	176.4	64.8	0	0	0	0	113.1	F26 C28	F26-C48 HydrophobicContact CB-CB 4.19Å; C28-C48 WeakPolarHBondContact CA-SG 3.27Å; C28-C48 HydrophobicContact CB-CB 3.92Å; C28-C48 WeakPolarHBondContact CB-SG 3.42Å; C28-C48 WeakPolarHBondContact SG-CB 3.37Å; C28-C48 CovalentContact SG-SG 2.05Å; C28-C48 PolarHBondContact SG-SG 2.92Å
49	L	92	Very high	89.7	Confident	34 Å²	34	61 Å²	61	18%	0.178	32%	0.323	C	S	.	.			trans	-130.7	139.9	174.2	-65.4	179.4	0	0	0	107.9	F26 I55 Y58	F26-L49 HydrophobicContact CD1-CB 4.1Å; F26-L49 HydrophobicContact CD1-CG 4.27Å; F26-L49 HydrophobicContact CD2-CB 4.46Å; F26-L49 HydrophobicContact CE1-CB 3.98Å; F26-L49 HydrophobicContact CE1-CD1 3.78Å; F26-L49 HydrophobicContact CE1-CG 3.91Å; F26-L49 HydrophobicContact CE2-CB 4.36Å; F26-L49 HydrophobicContact CG-CB 4.34Å; F26-L49 HydrophobicContact CZ-CB 4.11Å; F26-L49 HydrophobicContact CZ-CD1 3.89Å; F26-L49 HydrophobicContact CZ-CG 4.32Å; L49-I55 HydrophobicContact CB-CG1 3.8Å; L49-Y58 HydrophobicContact CD1-CG 4.16Å
50	E	85.4	Confident	90.4	Very high	167 Å²	167	59.3 Å²	59.3	78%	0.78	32%	0.316	S	S	*	.			trans	-120.5	-28.7	-175.1	-63.4	-174.2	166.3	0	0	113
51	D	91.2	Very high	90.7	Very high	85 Å²	85	62.7 Å²	62.7	46%	0.455	33%	0.331	S	S	.	.	S	Bend	trans	-87.8	139	179.8	70.1	-72	0	0	0	112.5	L53 S54 I55	D51-L53 PolarHBondContact O-N 3.29Å; D51-L53 VanDerWaalsContact O-N 3.1Å; D51-S54 PolarHBondContact O-N 3.21Å; D51-S54 PolarHBondContact O-OG 2.76Å; D51-S54 WeakPolarHBondContact OD1-CB 3.2Å; D51-S54 PolarHBondContact OD1-OG 3.11Å; D51-S54 WeakPolarHBondContact OD2-CB 3.17Å; D51-S54 PolarHBondContact OD2-N 3.37Å; D51-S54 PolarHBondContact OD2-OG 2.96Å; D51-I55 VanDerWaalsContact O-CG1 3.32Å; D51-I55 WeakPolarHBondContact O-CG1 3.43Å; D51-I55 PolarHBondContact O-N 3.23Å; D51-I55 VanDerWaalsContact O-N 3.08Å
52	E	90.1	Very high	90.9	Very high	138 Å²	138	62.6 Å²	62.6	65%	0.645	33%	0.331	S	S	*	.	H	α-helix	trans	-55.6	-32.2	-177.4	-164.3	-173.1	146.8	0	0	113	L56 V71	E52-L56 VanDerWaalsContact O-CB 3.23Å; E52-L56 WeakPolarHBondContact O-CB 3.23Å; E52-L56 PolarHBondContact O-N 3.14Å; E52-V71 HydrophobicContact CG-CG2 3.49Å; E52-V71 VanDerWaalsContact CG-CG2 3.49Å
53	L	93	Very high	91	Very high	111 Å²	111	60.3 Å²	60.3	58%	0.581	32%	0.315	S	S	*	.	H	α-helix	trans	-75.2	-42.9	-177.1	-176.6	61	0	0	0	112.4	D51 L56 N57	D51-L53 PolarHBondContact O-N 3.29Å; D51-L53 VanDerWaalsContact O-N 3.1Å; L53-L56 PolarHBondContact O-N 2.96Å; L53-N57 WeakPolarHBondContact O-CB 3.45Å; L53-N57 PolarHBondContact O-N 2.88Å; L53-N57 PolarHBondContact O-ND2 3.18Å; L53-N57 VanDerWaalsContact O-ND2 3.15Å
54	S	94.8	Very high	90.8	Very high	24 Å²	24	63.8 Å²	63.8	17%	0.168	34%	0.342	C	S	.	.	H	α-helix	trans	-68.3	-38.2	173.6	73	0	0	0	0	111.4	D51 N57 Y58	D51-S54 PolarHBondContact O-N 3.21Å; D51-S54 PolarHBondContact O-OG 2.76Å; D51-S54 WeakPolarHBondContact OD1-CB 3.2Å; D51-S54 PolarHBondContact OD1-OG 3.11Å; D51-S54 WeakPolarHBondContact OD2-CB 3.17Å; D51-S54 PolarHBondContact OD2-N 3.37Å; D51-S54 PolarHBondContact OD2-OG 2.96Å; S54-N57 CarbonylContact O-C 3.5Å; S54-N57 PolarHBondContact O-N 3.32Å; S54-Y58 WeakPolarHBondContact O-CB 3.49Å; S54-Y58 PolarHBondContact O-N 3.44Å
55	I	95	Very high	90.5	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-60.9	-45.5	173.5	-64.8	171.5	0	0	0	110.5	V24 F26 L49 D51 N57 Y58 C59 V71 F108	V24-I55 HydrophobicContact CG2-CG2 4.02Å; F26-I55 HydrophobicContact CD2-CD1 4.46Å; F26-I55 HydrophobicContact CD2-CG1 4.33Å; F26-I55 HydrophobicContact CE2-CB 4.34Å; F26-I55 HydrophobicContact CE2-CD1 4.24Å; F26-I55 HydrophobicContact CE2-CG1 3.74Å; F26-I55 HydrophobicContact CE2-CG2 3.94Å; F26-I55 HydrophobicContact CZ-CG1 4.28Å; F26-I55 HydrophobicContact CZ-CG2 4.5Å; L49-I55 HydrophobicContact CB-CG1 3.8Å; D51-I55 VanDerWaalsContact O-CG1 3.32Å; D51-I55 WeakPolarHBondContact O-CG1 3.43Å; D51-I55 PolarHBondContact O-N 3.23Å; D51-I55 VanDerWaalsContact O-N 3.08Å; I55-N57 VanDerWaalsContact C-N 3.35Å; I55-N57 PolarHBondContact O-N 3.4Å; I55-Y58 PolarHBondContact O-N 3.43Å; I55-C59 PolarHBondContact O-N 3.03Å; I55-V71 HydrophobicContact CG2-CB 4.34Å; I55-V71 HydrophobicContact CG2-CG1 4.17Å; I55-V71 HydrophobicContact CG2-CG2 4.22Å; I55-F108 HydrophobicContact CD1-CD1 4.09Å; I55-F108 HydrophobicContact CD1-CD2 4.33Å; I55-F108 HydrophobicContact CD1-CE1 3.8Å; I55-F108 HydrophobicContact CD1-CE2 4.06Å; I55-F108 HydrophobicContact CD1-CG 4.35Å; I55-F108 HydrophobicContact CD1-CZ 3.78Å; I55-F108 HydrophobicContact CG2-CB 3.96Å; I55-F108 HydrophobicContact CG2-CD1 4.28Å; I55-F108 HydrophobicContact CG2-CG 4.05Å
56	L	93.3	Very high	90.1	Very high	21 Å²	21	58.5 Å²	58.5	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-39.1	173.8	175.6	60.4	0	0	0	112.5	E52 L53 K60 I68 V71	E52-L56 VanDerWaalsContact O-CB 3.23Å; E52-L56 WeakPolarHBondContact O-CB 3.23Å; E52-L56 PolarHBondContact O-N 3.14Å; L53-L56 PolarHBondContact O-N 2.96Å; L56-K60 WeakPolarHBondContact O-CG 3.38Å; L56-K60 PolarHBondContact O-N 3.33Å; L56-K60 VanDerWaalsContact O-N 3.11Å; L56-I68 HydrophobicContact CD1-CG2 3.78Å; L56-V71 HydrophobicContact CB-CG1 4.13Å; L56-V71 HydrophobicContact CB-CG2 4.37Å; L56-V71 HydrophobicContact CD1-CG1 4.14Å
57	N	94.1	Very high	89.7	Confident	83 Å²	83	61 Å²	61	44%	0.444	32%	0.319	S	S	.	.	H	α-helix	trans	-70.7	-31.8	176	-69.9	-27.4	0	0	0	112.2	L53 S54 I55 K60 K61	L53-N57 WeakPolarHBondContact O-CB 3.45Å; L53-N57 PolarHBondContact O-N 2.88Å; L53-N57 PolarHBondContact O-ND2 3.18Å; L53-N57 VanDerWaalsContact O-ND2 3.15Å; S54-N57 CarbonylContact O-C 3.5Å; S54-N57 PolarHBondContact O-N 3.32Å; I55-N57 VanDerWaalsContact C-N 3.35Å; I55-N57 PolarHBondContact O-N 3.4Å; N57-K60 PolarHBondContact O-N 2.99Å; N57-K61 PolarHBondContact O-N 3.5Å
58	Y	96.1	Very high	89.6	Confident	5 Å²	5	60 Å²	60	2%	0.02	31%	0.308	C	S	.	.	H	α-helix	trans	-70.6	-42	172.4	-179	-103.9	0	0	0	112	V24 F26 A32 D43 Q46 L49 S54 I55 K60 K61 V62	V24-Y58 HydrophobicContact CB-CD1 3.93Å; V24-Y58 HydrophobicContact CB-CE1 3.87Å; V24-Y58 HydrophobicContact CG1-CD1 3.69Å; V24-Y58 HydrophobicContact CG1-CE1 3.57Å; V24-Y58 HydrophobicContact CG2-CD1 4.24Å; F26-Y58 AromaticContact CE1-CD1 3.83Å; F26-Y58 HydrophobicContact CE1-CD1 3.83Å; F26-Y58 AromaticContact CE1-CE1 3.99Å; F26-Y58 HydrophobicContact CE1-CE1 3.99Å; F26-Y58 HydrophobicContact CE1-CG 4.3Å; F26-Y58 AromaticContact CZ-CD1 3.52Å; F26-Y58 HydrophobicContact CZ-CD1 3.52Å; F26-Y58 HydrophobicContact CZ-CE1 4.01Å; F26-Y58 HydrophobicContact CZ-CG 4.16Å; A32-Y58 HydrophobicContact CB-CE1 4.36Å; D43-Y58 VanDerWaalsContact CB-OH 3.23Å; D43-Y58 WeakPolarHBondContact CB-OH 3.47Å; D43-Y58 WeakPolarHBondContact OD2-CE2 3.37Å; D43-Y58 PolarHBondContact OD2-OH 2.92Å; Q46-Y58 HydrophobicContact CB-CD2 4.34Å; Q46-Y58 HydrophobicContact CB-CE2 3.72Å; Q46-Y58 HydrophobicContact CG-CD2 3.69Å; Q46-Y58 HydrophobicContact CG-CE2 3.49Å; Q46-Y58 VanDerWaalsContact CG-CE2 3.49Å; Q46-Y58 HydrophobicContact CG-CG 4.48Å; L49-Y58 HydrophobicContact CD1-CG 4.16Å; S54-Y58 WeakPolarHBondContact O-CB 3.49Å; S54-Y58 PolarHBondContact O-N 3.44Å; I55-Y58 PolarHBondContact O-N 3.43Å; Y58-K60 PolarHBondContact O-N 3.26Å; Y58-K61 HydrophobicContact CD2-CD 3.81Å; Y58-K61 HydrophobicContact CE2-CD 3.98Å; Y58-K61 WeakPolarHBondContact O-CB 3.38Å; Y58-K61 PolarHBondContact O-N 3.3Å; Y58-V62 HydrophobicContact CD1-CG2 4.2Å; Y58-V62 HydrophobicContact CD2-CG2 4.19Å; Y58-V62 HydrophobicContact CE1-CG2 3.73Å; Y58-V62 HydrophobicContact CE2-CG2 3.67Å; Y58-V62 HydrophobicContact CG-CG2 4.43Å; Y58-V62 VanDerWaalsContact CZ-CG2 3.44Å; Y58-V62 WeakPolarHBondContact O-CG2 3.45Å; Y58-V62 PolarHBondContact O-N 3.01Å
59	C	93.9	Very high	89.3	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-53.2	-43.2	168.5	-73.6	0	0	0	0	111.6	I55 Y63 I68 V71 C110	I55-C59 PolarHBondContact O-N 3.03Å; C59-Y63 WeakPolarHBondContact O-CB 3.48Å; C59-Y63 WeakPolarHBondContact O-CD2 3.3Å; C59-Y63 PolarHBondContact O-N 3.19Å; C59-I68 HydrophobicContact CB-CB 4.5Å; C59-I68 HydrophobicContact CB-CG1 4.5Å; C59-I68 HydrophobicContact CB-CG2 3.9Å; C59-V71 HydrophobicContact CB-CG1 4.42Å; C59-V71 WeakPolarHBondContact SG-CG1 3.44Å; C59-C110 HydrophobicContact CB-CB 3.65Å; C59-C110 WeakPolarHBondContact CB-SG 3.19Å; C59-C110 WeakPolarHBondContact SG-CB 3.42Å; C59-C110 CovalentContact SG-SG 2.04Å; C59-C110 PolarHBondContact SG-SG 3.37Å
60	K	92.6	Very high	89	Confident	84 Å²	84	61.1 Å²	61.1	37%	0.365	32%	0.319	S	S	.	.	H	α-helix	trans	-71.1	-27.8	176.2	-67.8	165.5	-175.5	165.8	0	113.9	L56 N57 Y58 S64 I68	L56-K60 WeakPolarHBondContact O-CG 3.38Å; L56-K60 PolarHBondContact O-N 3.33Å; L56-K60 VanDerWaalsContact O-N 3.11Å; N57-K60 PolarHBondContact O-N 2.99Å; Y58-K60 PolarHBondContact O-N 3.26Å; K60-S64 WeakPolarHBondContact O-CA 3.5Å; K60-I68 WeakPolarHBondContact CE-O 3.43Å; K60-I68 HydrophobicContact CG-CB 4.19Å
61	K	92.6	Very high	89.2	Confident	100 Å²	100	53.7 Å²	53.7	44%	0.435	29%	0.285	S	S	.	.	H	α-helix	trans	-68	-48.1	172.9	177.6	-153.1	176.7	-169.6	0	110.5	D43 T45 N57 Y58	D43-K61 IonicContact OD2-NZ 3.71Å; D43-K61 PolarHBondContact OD2-NZ 3.06Å; T45-K61 PolarHBondContact OG1-NZ 3.1Å; N57-K61 PolarHBondContact O-N 3.5Å; Y58-K61 HydrophobicContact CD2-CD 3.81Å; Y58-K61 HydrophobicContact CE2-CD 3.98Å; Y58-K61 WeakPolarHBondContact O-CB 3.38Å; Y58-K61 PolarHBondContact O-N 3.3Å
62	V	90.2	Very high	89	Confident	30 Å²	30	51.7 Å²	51.7	18%	0.182	28%	0.276	C	S	.	.	H	α-helix	trans	-76.7	-48.6	-174.7	174.7	0	0	0	0	111.5	Y34 Y58 S64	Y34-V62 HydrophobicContact CD1-CG1 4.07Å; Y34-V62 HydrophobicContact CD1-CG2 4.39Å; Y34-V62 HydrophobicContact CD2-CG1 3.36Å; Y34-V62 HydrophobicContact CE1-CG1 4.4Å; Y34-V62 HydrophobicContact CE2-CG1 3.76Å; Y34-V62 HydrophobicContact CG-CG1 3.53Å; Y34-V62 HydrophobicContact CG-CG2 4.46Å; Y58-V62 HydrophobicContact CD1-CG2 4.2Å; Y58-V62 HydrophobicContact CD2-CG2 4.19Å; Y58-V62 HydrophobicContact CE1-CG2 3.73Å; Y58-V62 HydrophobicContact CE2-CG2 3.67Å; Y58-V62 HydrophobicContact CG-CG2 4.43Å; Y58-V62 VanDerWaalsContact CZ-CG2 3.44Å; Y58-V62 WeakPolarHBondContact O-CG2 3.45Å; Y58-V62 PolarHBondContact O-N 3.01Å; V62-S64 PolarHBondContact O-N 2.86Å
63	Y	88.9	Confident	88.9	Confident	11 Å²	11	48.4 Å²	48.4	4%	0.043	27%	0.268	C	S	.	.	S	Bend	trans	-101.4	53.7	-178.7	-49.4	-67.2	0	0	0	110.2	Y22 S23 V24 Y34 L35 C59 E65 R66 C110	Y22-Y63 AromaticContact CD1-CD1 3.61Å; Y22-Y63 HydrophobicContact CD1-CD1 3.61Å; Y22-Y63 AromaticContact CD1-CE1 3.45Å; Y22-Y63 HydrophobicContact CD1-CE1 3.45Å; Y22-Y63 VanDerWaalsContact CD1-CE1 3.45Å; Y22-Y63 HydrophobicContact CD1-CG 4.2Å; Y22-Y63 AromaticContact CD1-CZ 3.92Å; Y22-Y63 HydrophobicContact CE1-CD1 4.28Å; Y22-Y63 HydrophobicContact CE1-CE1 4.3Å; Y22-Y63 HydrophobicContact CG-CD1 4.23Å; Y22-Y63 HydrophobicContact CG-CE1 4.21Å; Y22-Y63 HydrophobicContact CG-CG 4.38Å; S23-Y63 PolarHBondContact N-OH 3.1Å; S23-Y63 PolarHBondContact O-OH 3.36Å; V24-Y63 HydrophobicContact CG1-CE2 4.06Å; Y34-Y63 HydrophobicContact CD2-CE1 4.45Å; L35-Y63 PolarHBondContact N-OH 2.93Å; L35-Y63 PolarHBondContact O-OH 3.01Å; C59-Y63 WeakPolarHBondContact O-CB 3.48Å; C59-Y63 WeakPolarHBondContact O-CD2 3.3Å; C59-Y63 PolarHBondContact O-N 3.19Å; Y63-E65 WeakPolarHBondContact CA-OE2 3.34Å; Y63-E65 PolarHBondContact O-N 2.59Å; Y63-R66 WeakPolarHBondContact O-CB 3.48Å; Y63-R66 PolarHBondContact O-N 3.48Å; Y63-C110 HydrophobicContact CD2-CB 4.28Å; Y63-C110 HydrophobicContact CE2-CB 4.37Å
64	S	85.9	Confident	88.6	Confident	95 Å²	95	43.4 Å²	43.4	66%	0.664	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.4	-173	66.9	0	0	0	0	114.7	K60 V62 R66	K60-S64 WeakPolarHBondContact O-CA 3.5Å; V62-S64 PolarHBondContact O-N 2.86Å; S64-R66 VanDerWaalsContact C-N 3.25Å; S64-R66 PolarHBondContact O-N 3.45Å
65	E	79.4	Confident	88.1	Confident	94 Å²	94	43.4 Å²	43.4	44%	0.439	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-1.7	175.8	74	-62.4	153.2	0	0	113.7	L17 Y63	L17-E65 HydrophobicContact CD2-CB 4.42Å; L17-E65 HydrophobicContact CD2-CG 3.43Å; L17-E65 VanDerWaalsContact CD2-CG 3.43Å; Y63-E65 WeakPolarHBondContact CA-OE2 3.34Å; Y63-E65 PolarHBondContact O-N 2.59Å
66	R	76.5	Confident	87.8	Confident	35 Å²	35	46.1 Å²	46.1	13%	0.132	26%	0.259	C	S	.	.	S	Bend	trans	-119.6	162.3	-175.5	-69.2	-169.4	168.1	-98.3	-0.9	113.6	H19 Y22 Y63 S64 I68 D112	H19-R66 PolarHBondContact NE2-NH1 2.84Å; H19-R66 VanDerWaalsContact NE2-NH1 3.14Å; Y22-R66 VanDerWaalsContact CZ-CZ 3.5Å; Y22-R66 PolarHBondContact OH-NE 2.86Å; Y22-R66 VanDerWaalsContact OH-NE 3.16Å; Y22-R66 PolarHBondContact OH-NH2 3.1Å; Y63-R66 WeakPolarHBondContact O-CB 3.48Å; Y63-R66 PolarHBondContact O-N 3.48Å; S64-R66 VanDerWaalsContact C-N 3.25Å; S64-R66 PolarHBondContact O-N 3.45Å; R66-I68 HydrophobicContact CB-CD1 3.9Å; R66-I68 HydrophobicContact CB-CG1 4.2Å; R66-I68 PolarHBondContact O-N 3.25Å; R66-D112 IonicContact CZ-OD2 3.98Å; R66-D112 IonicContact NH1-OD2 3.66Å; R66-D112 PolarHBondContact NH1-OD2 2.57Å
67	N	82.3	Confident	87.6	Confident	96 Å²	96	45.2 Å²	45.2	51%	0.513	26%	0.255	S	S	.	.			trans	-105.8	62.1	-179.6	-167.4	-4.9	0	0	0	109.5	T69 D112 N113	N67-T69 PolarHBondContact O-N 2.95Å; N67-D112 PolarHBondContact N-OD1 2.97Å; N67-D112 WeakPolarHBondContact O-CA 3.35Å; N67-N113 PolarHBondContact O-N 3.41Å
68	I	84.5	Confident	87.3	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	121	176.7	-49.1	-57.4	0	0	0	109.1	L56 C59 K60 R66 C110 L111	L56-I68 HydrophobicContact CD1-CG2 3.78Å; C59-I68 HydrophobicContact CB-CB 4.5Å; C59-I68 HydrophobicContact CB-CG1 4.5Å; C59-I68 HydrophobicContact CB-CG2 3.9Å; K60-I68 WeakPolarHBondContact CE-O 3.43Å; K60-I68 HydrophobicContact CG-CB 4.19Å; R66-I68 HydrophobicContact CB-CD1 3.9Å; R66-I68 HydrophobicContact CB-CG1 4.2Å; R66-I68 PolarHBondContact O-N 3.25Å; I68-C110 HydrophobicContact CD1-CB 4.13Å; I68-C110 HydrophobicContact CG1-CB 4.41Å; I68-C110 HydrophobicContact CG2-CB 3.93Å; I68-L111 CarbonylContact C-O 3.54Å; I68-L111 WeakPolarHBondContact CA-O 3.5Å
69	T	84.2	Confident	86.7	Confident	63 Å²	63	44.6 Å²	44.6	39%	0.387	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-22	-177.3	41.5	0	0	0	0	114.5	N67 L111 N113	N67-T69 PolarHBondContact O-N 2.95Å; T69-L111 PolarHBondContact N-O 2.65Å; T69-N113 HydrophobicContact CG2-CB 3.73Å; T69-N113 VanDerWaalsContact OG1-CA 3.29Å; T69-N113 WeakPolarHBondContact OG1-CA 3.3Å; T69-N113 PolarHBondContact OG1-N 2.99Å
70	A	86.2	Confident	86.1	Confident	38 Å²	38	48.2 Å²	48.2	31%	0.314	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	167.1	179.3	0	0	0	0	0	110.8	L111	A70-L111 HydrophobicContact CB-CB 4.39Å; A70-L111 PolarHBondContact N-O 3.29Å; A70-L111 PolarHBondContact O-N 3.47Å
71	V	89	Confident	85.4	Confident	12 Å²	12	44.9 Å²	44.9	7%	0.073	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	147.4	172.4	-69.3	0	0	0	0	109.7	E52 I55 L56 C59 I109	E52-V71 HydrophobicContact CG-CG2 3.49Å; E52-V71 VanDerWaalsContact CG-CG2 3.49Å; I55-V71 HydrophobicContact CG2-CB 4.34Å; I55-V71 HydrophobicContact CG2-CG1 4.17Å; I55-V71 HydrophobicContact CG2-CG2 4.22Å; L56-V71 HydrophobicContact CB-CG1 4.13Å; L56-V71 HydrophobicContact CB-CG2 4.37Å; L56-V71 HydrophobicContact CD1-CG1 4.14Å; C59-V71 HydrophobicContact CB-CG1 4.42Å; C59-V71 WeakPolarHBondContact SG-CG1 3.44Å; V71-I109 CarbonylContact C-O 3.6Å; V71-I109 WeakPolarHBondContact CA-O 3.44Å
72	V	87	Confident	84.5	Confident	43 Å²	43	44.2 Å²	44.2	26%	0.261	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.6	178.4	173.8	0	0	0	0	109.7	A74 F108 I109 L111 P167	V72-A74 PolarHBondContact O-N 3.39Å; V72-F108 CarbonylContact O-C 3.57Å; V72-F108 WeakPolarHBondContact O-CA 3.05Å; V72-I109 PolarHBondContact N-O 3.22Å; V72-I109 PolarHBondContact O-N 3.14Å; V72-L111 HydrophobicContact CB-CD1 4.47Å; V72-L111 HydrophobicContact CG2-CD1 3.58Å; V72-L111 HydrophobicContact CG2-CG 4.4Å; V72-P167 HydrophobicContact CB-CG 4.35Å; V72-P167 HydrophobicContact CG1-CG 4.16Å
73	S	88.4	Confident	83.5	Confident	69 Å²	69	47.5 Å²	47.5	48%	0.483	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	120.2	170.4	-178.1	0	0	0	0	109.9
74	A	86.3	Confident	83	Confident	5 Å²	5	47.5 Å²	47.5	4%	0.041	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-95.8	159.6	173.1	0	0	0	0	0	110.4	V72 P107 I109	V72-A74 PolarHBondContact O-N 3.39Å; A74-P107 HydrophobicContact CB-CG 4.15Å; A74-P107 PolarHBondContact N-O 2.78Å; A74-I109 HydrophobicContact CB-CD1 3.84Å; A74-I109 HydrophobicContact CB-CG1 4.05Å
75	P	84.6	Confident	82.5	Confident	25 Å²	25	44.5 Å²	44.5	16%	0.162	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-61.7	160.8	177.9	-25	38.6	0	0	0	112.8	P107 Y136	P75-P107 WeakPolarHBondContact O-CD 3.44Å; P75-Y136 HydrophobicContact CB-CD2 3.97Å; P75-Y136 HydrophobicContact CB-CE1 4.38Å; P75-Y136 HydrophobicContact CB-CE2 3.63Å; P75-Y136 HydrophobicContact CB-CG 4.49Å; P75-Y136 HydrophobicContact CG-CD2 3.94Å; P75-Y136 HydrophobicContact CG-CE2 3.49Å; P75-Y136 VanDerWaalsContact CG-CE2 3.49Å
76	P	88.8	Confident	82.2	Confident	57 Å²	57	45 Å²	45	37%	0.37	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-62.3	149.3	179.7	-15.3	28	0	0	0	112.3	E104 I105 K106	P76-E104 HydrophobicContact CB-CG 3.83Å; P76-E104 VanDerWaalsContact CB-OE1 3.28Å; P76-E104 WeakPolarHBondContact CB-OE1 3.46Å; P76-I105 VanDerWaalsContact CA-O 3.23Å; P76-I105 WeakPolarHBondContact CA-O 3.31Å; P76-K106 HydrophobicContact CB-CG 4.19Å; P76-K106 HydrophobicContact CG-CG 4.09Å
77	I	87.8	Confident	81.9	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.015	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.4	174.8	58	168.9	0	0	0	110.7	W40 V79 E104 I105 P107 Y136 I169 E171	W40-I77 HydrophobicContact CZ2-CD1 4.29Å; I77-V79 HydrophobicContact CD1-CG1 3.81Å; I77-V79 HydrophobicContact CG1-CG1 4.14Å; I77-E104 WeakPolarHBondContact O-CA 3.37Å; I77-I105 HydrophobicContact CD1-CD1 4.3Å; I77-I105 HydrophobicContact CD1-CG1 4.36Å; I77-I105 HydrophobicContact CG1-CD1 4.22Å; I77-I105 HydrophobicContact CG1-CG1 3.74Å; I77-I105 PolarHBondContact N-O 3.44Å; I77-I105 VanDerWaalsContact N-O 3.08Å; I77-I105 PolarHBondContact O-N 2.89Å; I77-P107 HydrophobicContact CD1-CG 4.32Å; I77-P107 HydrophobicContact CG1-CG 4.21Å; I77-Y136 HydrophobicContact CG2-CE1 4.49Å; I77-I169 HydrophobicContact CD1-CB 4.09Å; I77-I169 HydrophobicContact CD1-CD1 4.33Å; I77-I169 HydrophobicContact CD1-CG2 3.93Å; I77-E171 HydrophobicContact CB-CG 3.97Å; I77-E171 HydrophobicContact CG2-CG 4.18Å
78	D	87.7	Confident	80.8	Confident	65 Å²	65	47 Å²	47	35%	0.348	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.2	172.8	-105.3	3.7	0	0	0	110.4	R102 E171	D78-R102 IonicContact OD2-NH1 2.9Å; D78-E171 PolarHBondContact N-OE1 2.91Å
79	V	84.4	Confident	79.4	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	146.1	176.3	-66.2	0	0	0	0	111.5	I77 L81 R102 H103 I105	I77-V79 HydrophobicContact CD1-CG1 3.81Å; I77-V79 HydrophobicContact CG1-CG1 4.14Å; V79-L81 HydrophobicContact CB-CG 4.4Å; V79-L81 HydrophobicContact CG2-CD1 3.65Å; V79-L81 HydrophobicContact CG2-CD2 4.11Å; V79-L81 HydrophobicContact CG2-CG 3.69Å; V79-R102 CarbonylContact O-C 3.53Å; V79-R102 WeakPolarHBondContact O-CA 3.35Å; V79-H103 WeakPolarHBondContact CG2-O 3.38Å; V79-H103 PolarHBondContact N-O 2.96Å; V79-H103 PolarHBondContact O-N 3.47Å; V79-I105 HydrophobicContact CB-CD1 4.5Å; V79-I105 HydrophobicContact CG1-CD1 4Å; V79-I105 HydrophobicContact CG1-CG1 4.32Å; V79-I105 HydrophobicContact CG2-CB 4.38Å; V79-I105 HydrophobicContact CG2-CD1 3.66Å; V79-I105 HydrophobicContact CG2-CG1 3.79Å; V79-I105 HydrophobicContact CG2-CG2 3.73Å
80	V	81.1	Confident	77.8	Confident	77 Å²	77	57 Å²	57	47%	0.467	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.3	169.9	-178.5	0	0	0	0	108.3	R102	V80-R102 HydrophobicContact CG2-CG 4.02Å
81	L	77.8	Confident	76.1	Confident	14 Å²	14	63.7 Å²	63.7	7%	0.073	35%	0.348	C	S	.	.			trans	-132.3	111.1	-175.7	-63.9	172.7	0	0	0	110.8	I33 W40 V79 W84 H103 I105	I33-L81 HydrophobicContact CD1-CD1 3.72Å; I33-L81 HydrophobicContact CD1-CD2 4.39Å; W40-L81 HydrophobicContact CB-CD2 3.51Å; W40-L81 HydrophobicContact CG-CD2 4.13Å; V79-L81 HydrophobicContact CB-CG 4.4Å; V79-L81 HydrophobicContact CG2-CD1 3.65Å; V79-L81 HydrophobicContact CG2-CD2 4.11Å; V79-L81 HydrophobicContact CG2-CG 3.69Å; L81-W84 HydrophobicContact CB-CB 3.79Å; L81-W84 HydrophobicContact CD1-CB 4.21Å; L81-W84 HydrophobicContact CD1-CD2 3.69Å; L81-W84 HydrophobicContact CD1-CE3 3.43Å; L81-W84 VanDerWaalsContact CD1-CE3 3.43Å; L81-W84 HydrophobicContact CD1-CG 4.05Å; L81-W84 HydrophobicContact CD1-CZ3 4.01Å; L81-H103 HydrophobicContact CD1-CB 4.2Å; L81-I105 HydrophobicContact CD1-CG2 4.22Å
82	S	73.4	Confident	74.2	Confident	86 Å²	86	68.3 Å²	68.3	60%	0.601	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	138.1	171.5	-51	0	0	0	0	110.8	W84	S82-W84 PolarHBondContact O-N 3.39Å
83	D	69.7	Low	72.5	Confident	99 Å²	99	70 Å²	70	53%	0.529	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	18.3	175.2	-65.9	-53.8	0	0	0	117.2	C85 C95	D83-C85 VanDerWaalsContact C-N 3.3Å; D83-C85 PolarHBondContact O-N 3.2Å; D83-C95 WeakPolarHBondContact OD1-CB 3.46Å
84	W	79.2	Confident	70.7	Confident	11 Å²	11	73.5 Å²	73.5	4%	0.042	40%	0.397	C	S	.	.			trans	-78.1	76.2	177.9	-166.4	51.3	0	0	0	113.2	E27 K30 P31 I33 L81 S82 H103 I105	E27-W84 HydrophobicContact CB-CH2 3.76Å; E27-W84 HydrophobicContact CB-CZ2 3.91Å; E27-W84 WeakPolarHBondContact OE2-CH2 3.48Å; E27-W84 WeakPolarHBondContact OE2-CZ3 3.4Å; K30-W84 HydrophobicContact CB-CZ2 4.09Å; K30-W84 HydrophobicContact CD-CD2 3.79Å; K30-W84 HydrophobicContact CD-CE3 3.87Å; K30-W84 HydrophobicContact CD-CH2 3.79Å; K30-W84 HydrophobicContact CD-CZ2 3.67Å; K30-W84 HydrophobicContact CD-CZ3 3.88Å; P31-W84 PolarHBondContact O-NE1 2.99Å; I33-W84 HydrophobicContact CD1-CZ2 4.47Å; I33-W84 HydrophobicContact CG2-CG 4.38Å; L81-W84 HydrophobicContact CB-CB 3.79Å; L81-W84 HydrophobicContact CD1-CB 4.21Å; L81-W84 HydrophobicContact CD1-CD2 3.69Å; L81-W84 HydrophobicContact CD1-CE3 3.43Å; L81-W84 VanDerWaalsContact CD1-CE3 3.43Å; L81-W84 HydrophobicContact CD1-CG 4.05Å; L81-W84 HydrophobicContact CD1-CZ3 4.01Å; S82-W84 PolarHBondContact O-N 3.39Å; W84-H103 HydrophobicContact CE3-CB 4.07Å; W84-H103 AromaticContact CE3-CG 3.84Å; W84-H103 AromaticContact CE3-ND1 3.77Å; W84-H103 HydrophobicContact CZ3-CB 3.98Å; W84-I105 HydrophobicContact CH2-CG2 3.91Å; W84-I105 HydrophobicContact CZ3-CG2 3.85Å
85	C	74.3	Confident	69.4	Low	32 Å²	32	73.8 Å²	73.8	22%	0.216	40%	0.398	C	S	.	.			trans	-104.1	161.4	-173.6	-90.3	0	0	0	0	114.4	P31 D83 C95	P31-C85 WeakPolarHBondContact CD-O 3.3Å; D83-C85 VanDerWaalsContact C-N 3.3Å; D83-C85 PolarHBondContact O-N 3.2Å; C85-C95 HydrophobicContact CB-CB 4.3Å; C85-C95 WeakPolarHBondContact CB-SG 3.11Å; C85-C95 VanDerWaalsContact SG-CA 3.53Å; C85-C95 WeakPolarHBondContact SG-CB 3.3Å; C85-C95 CovalentContact SG-SG 2.03Å; C85-C95 PolarHBondContact SG-SG 3.44Å
86	E	73.9	Confident	67.8	Low	103 Å²	103	79 Å²	79	48%	0.481	42%	0.42	S	S	.	.			trans	-63.4	142.5	168.6	-69.5	171.8	-142.7	0	0	112.5	G29 K30 A88 H89	G29-E86 CarbonylContact O-C 3.55Å; G29-E86 VanDerWaalsContact O-CA 3.22Å; G29-E86 WeakPolarHBondContact O-CA 3.49Å; K30-E86 HydrophobicContact CG-CG 4.36Å; E86-A88 PolarHBondContact O-N 3Å; E86-A88 VanDerWaalsContact O-N 3.1Å; E86-H89 PolarHBondContact O-N 3.48Å
87	F	69.1	Low	66	Low	90 Å²	90	81.4 Å²	81.4	40%	0.395	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-56	-28.6	176.7	-67.6	-66.9	0	0	0	113.8	G29 K30 P31 H89	G29-F87 WeakPolarHBondContact O-CD2 3.27Å; G29-F87 PolarHBondContact O-N 3.07Å; K30-F87 WeakPolarHBondContact O-CE2 3.18Å; P31-F87 VanDerWaalsContact CA-CZ 3.47Å; P31-F87 HydrophobicContact CB-CE1 3.95Å; P31-F87 HydrophobicContact CB-CZ 3.96Å; F87-H89 PolarHBondContact O-N 3.05Å
88	A	59.1	Low	64.4	Low	85 Å²	85	84 Å²	84	70%	0.702	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-65.7	-20.7	176.2	0	0	0	0	0	112.8	E86 K90	E86-A88 PolarHBondContact O-N 3Å; E86-A88 VanDerWaalsContact O-N 3.1Å; A88-K90 PolarHBondContact O-N 3Å
89	H	54.6	Low	62.9	Low	73 Å²	73	83.5 Å²	83.5	34%	0.338	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-96.1	46.8	179.6	-75.3	-7.3	0	0	0	113.4	E86 F87 K91	E86-H89 PolarHBondContact O-N 3.48Å; F87-H89 PolarHBondContact O-N 3.05Å; H89-K91 CarbonylContact O-C 3.55Å; H89-K91 PolarHBondContact O-N 3.26Å
90	K	52.4	Low	61.9	Low	200 Å²	200	90 Å²	90	87%	0.87	50%	0.496	S	S	*	.			trans	-52.9	-13.9	161.7	-78	-173.3	175.7	-178.1	0	114	A88 L92	A88-K90 PolarHBondContact O-N 3Å; K90-L92 PolarHBondContact O-N 2.7Å
91	K	49.1	Very low	61.6	Low	179 Å²	179	91.8 Å²	91.8	78%	0.778	50%	0.498	S	S	*	.	S	Bend	trans	-78.1	86.3	162.1	-69.9	-173.5	177.1	-177.5	0	110.1	H89 A93 K94	H89-K91 CarbonylContact O-C 3.55Å; H89-K91 PolarHBondContact O-N 3.26Å; K91-A93 PolarHBondContact O-N 3.47Å; K91-K94 PolarHBondContact O-N 3.28Å
92	L	50.5	Low	61.7	Low	109 Å²	109	98 Å²	98	57%	0.571	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-40.4	-32.8	179.1	-138.3	75.5	0	0	0	115.3	K90 K94 C95 Q96	K90-L92 PolarHBondContact O-N 2.7Å; L92-K94 PolarHBondContact O-N 2.9Å; L92-C95 WeakPolarHBondContact O-CB 3.5Å; L92-C95 PolarHBondContact O-N 3.37Å; L92-Q96 PolarHBondContact O-N 2.95Å
93	A	49.5	Very low	62.2	Low	79 Å²	79	95.8 Å²	95.8	65%	0.653	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-55.6	-20.3	-176.1	0	0	0	0	0	116	K91	K91-A93 PolarHBondContact O-N 3.47Å
94	K	52.5	Low	63.1	Low	143 Å²	143	96.5 Å²	96.5	62%	0.622	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-86.9	-19.5	172.8	-87.2	-165	171.8	-168.9	0	114.4	K91 L92	K91-K94 PolarHBondContact O-N 3.28Å; L92-K94 PolarHBondContact O-N 2.9Å
95	C	57.6	Low	63.6	Low	10 Å²	10	96.2 Å²	96.2	7%	0.068	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-45.6	179.6	-53.8	0	0	0	0	110.8	D83 C85 L92 S97 I98	D83-C95 WeakPolarHBondContact OD1-CB 3.46Å; C85-C95 HydrophobicContact CB-CB 4.3Å; C85-C95 WeakPolarHBondContact CB-SG 3.11Å; C85-C95 VanDerWaalsContact SG-CA 3.53Å; C85-C95 WeakPolarHBondContact SG-CB 3.3Å; C85-C95 CovalentContact SG-SG 2.03Å; C85-C95 PolarHBondContact SG-SG 3.44Å; L92-C95 WeakPolarHBondContact O-CB 3.5Å; L92-C95 PolarHBondContact O-N 3.37Å; C95-S97 PolarHBondContact O-N 2.89Å; C95-I98 PolarHBondContact O-N 3.33Å
96	Q	51.9	Low	64.4	Low	136 Å²	136	100.5 Å²	100.5	64%	0.636	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.7	-176.7	-65.4	-179	-51	0	0	115.5	L92 I98	L92-Q96 PolarHBondContact O-N 2.95Å; Q96-I98 PolarHBondContact O-N 2.92Å
97	S	51.3	Low	65.2	Low	106 Å²	106	95.6 Å²	95.6	74%	0.741	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	7.8	-178.8	-172.8	0	0	0	0	113.8	C95	C95-S97 PolarHBondContact O-N 2.89Å
98	I	53.1	Low	66.3	Low	59 Å²	59	93.5 Å²	93.5	30%	0.303	48%	0.482	S	S	.	.			trans	-142.8	82.4	-160.4	-48.5	175.7	0	0	0	110.4	C95 Q96 K101	C95-I98 PolarHBondContact O-N 3.33Å; Q96-I98 PolarHBondContact O-N 2.92Å; I98-K101 HydrophobicContact CD1-CD 4.36Å; I98-K101 HydrophobicContact CG2-CB 3.52Å; I98-K101 HydrophobicContact CG2-CD 3.51Å; I98-K101 HydrophobicContact CG2-CG 3.34Å
99	G	57.2	Low	67.7	Low	54 Å²	54	89.7 Å²	89.7	56%	0.557	45%	0.45	S	S	*	.	S	Bend	trans	-65	-45.5	179.8	0	0	0	0	0	114.1
100	D	63.6	Low	69.4	Low	145 Å²	145	86.4 Å²	86.4	78%	0.775	44%	0.435	S	S	*	.	S	Bend	trans	-129.9	36.1	-161.8	-55.8	-83.4	0	0	0	114	R102	D100-R102 PolarHBondContact O-N 3.37Å
101	K	73.3	Confident	70.8	Confident	115 Å²	115	79.4 Å²	79.4	50%	0.5	41%	0.407	S	S	.	.			trans	-70.2	127.6	173	-97	-174.2	-157.2	176	0	111	I98 H103	I98-K101 HydrophobicContact CD1-CD 4.36Å; I98-K101 HydrophobicContact CG2-CB 3.52Å; I98-K101 HydrophobicContact CG2-CD 3.51Å; I98-K101 HydrophobicContact CG2-CG 3.34Å; K101-H103 PolarHBondContact O-CD2 2.83Å
102	R	80.2	Confident	72	Confident	145 Å²	145	72.1 Å²	72.1	55%	0.547	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	141.9	157.3	-71.9	175.2	169.1	-104.9	-9.5	109.8	D78 V79 V80 D100 E171	D78-R102 IonicContact OD2-NH1 2.9Å; V79-R102 CarbonylContact O-C 3.53Å; V79-R102 WeakPolarHBondContact O-CA 3.35Å; V80-R102 HydrophobicContact CG2-CG 4.02Å; D100-R102 PolarHBondContact O-N 3.37Å; R102-E171 IonicContact NH1-OE2 2.92Å
103	H	84.3	Confident	72.5	Confident	38 Å²	38	70.2 Å²	70.2	18%	0.176	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.3	176.5	-73.7	-86.7	0	0	0	108.1	V79 L81 W84 K101 I105	V79-H103 WeakPolarHBondContact CG2-O 3.38Å; V79-H103 PolarHBondContact N-O 2.96Å; V79-H103 PolarHBondContact O-N 3.47Å; L81-H103 HydrophobicContact CD1-CB 4.2Å; W84-H103 HydrophobicContact CE3-CB 4.07Å; W84-H103 AromaticContact CE3-CG 3.84Å; W84-H103 AromaticContact CE3-ND1 3.77Å; W84-H103 HydrophobicContact CZ3-CB 3.98Å; K101-H103 PolarHBondContact O-CD2 2.83Å; H103-I105 HydrophobicContact CB-CG2 4.45Å; H103-I105 PolarHBondContact O-N 3.12Å
104	E	88.5	Confident	72.6	Confident	115 Å²	115	70.7 Å²	70.7	54%	0.537	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	118.3	167.8	-173	-162.1	155.8	0	0	108	P76 I77	P76-E104 HydrophobicContact CB-CG 3.83Å; P76-E104 VanDerWaalsContact CB-OE1 3.28Å; P76-E104 WeakPolarHBondContact CB-OE1 3.46Å; I77-E104 WeakPolarHBondContact O-CA 3.37Å
105	I	89.6	Confident	72.4	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.026	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.4	175.2	66.8	166.3	0	0	0	110.7	A25 I33 W40 P76 I77 V79 L81 W84 H103 P107	A25-I105 HydrophobicContact CB-CB 4.22Å; A25-I105 HydrophobicContact CB-CD1 4.02Å; I33-I105 HydrophobicContact CD1-CD1 3.89Å; I33-I105 HydrophobicContact CD1-CG2 4.06Å; W40-I105 HydrophobicContact CD2-CD1 4.16Å; W40-I105 HydrophobicContact CE3-CD1 4.31Å; W40-I105 HydrophobicContact CH2-CD1 3.78Å; W40-I105 HydrophobicContact CZ2-CD1 3.59Å; W40-I105 HydrophobicContact CZ3-CD1 4.13Å; P76-I105 VanDerWaalsContact CA-O 3.23Å; P76-I105 WeakPolarHBondContact CA-O 3.31Å; I77-I105 HydrophobicContact CD1-CD1 4.3Å; I77-I105 HydrophobicContact CD1-CG1 4.36Å; I77-I105 HydrophobicContact CG1-CD1 4.22Å; I77-I105 HydrophobicContact CG1-CG1 3.74Å; I77-I105 PolarHBondContact N-O 3.44Å; I77-I105 VanDerWaalsContact N-O 3.08Å; I77-I105 PolarHBondContact O-N 2.89Å; V79-I105 HydrophobicContact CB-CD1 4.5Å; V79-I105 HydrophobicContact CG1-CD1 4Å; V79-I105 HydrophobicContact CG1-CG1 4.32Å; V79-I105 HydrophobicContact CG2-CB 4.38Å; V79-I105 HydrophobicContact CG2-CD1 3.66Å; V79-I105 HydrophobicContact CG2-CG1 3.79Å; V79-I105 HydrophobicContact CG2-CG2 3.73Å; L81-I105 HydrophobicContact CD1-CG2 4.22Å; W84-I105 HydrophobicContact CH2-CG2 3.91Å; W84-I105 HydrophobicContact CZ3-CG2 3.85Å; H103-I105 HydrophobicContact CB-CG2 4.45Å; H103-I105 PolarHBondContact O-N 3.12Å; I105-P107 WeakPolarHBondContact O-CD 3.46Å
106	K	90.7	Very high	72.1	Confident	122 Å²	122	74.9 Å²	74.9	53%	0.53	39%	0.385	S	S	.	.			trans	-113.2	92.8	176	-70.4	175.7	-175.5	168.1	0	109.3	P76	P76-K106 HydrophobicContact CB-CG 4.19Å; P76-K106 HydrophobicContact CG-CG 4.09Å
107	P	91.4	Very high	72.4	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	148	-173	31.2	-33	0	0	0	113	W40 A74 P75 I77 I105 I169	W40-P107 HydrophobicContact CH2-CB 3.9Å; W40-P107 HydrophobicContact CZ2-CB 4.45Å; A74-P107 HydrophobicContact CB-CG 4.15Å; A74-P107 PolarHBondContact N-O 2.78Å; P75-P107 WeakPolarHBondContact O-CD 3.44Å; I77-P107 HydrophobicContact CD1-CG 4.32Å; I77-P107 HydrophobicContact CG1-CG 4.21Å; I105-P107 WeakPolarHBondContact O-CD 3.46Å; P107-I169 HydrophobicContact CB-CD1 3.58Å; P107-I169 HydrophobicContact CG-CD1 3.65Å; P107-I169 HydrophobicContact CG-CG1 4.34Å
108	F	91.8	Very high	73	Confident	46 Å²	46	70.1 Å²	70.1	20%	0.202	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118	170.3	-64.3	-98.8	0	0	0	108.5	S23 V24 F26 I55 V72	S23-F108 CarbonylContact C-O 3.21Å; S23-F108 VanDerWaalsContact CA-O 3.28Å; S23-F108 WeakPolarHBondContact CA-O 3.3Å; V24-F108 HydrophobicContact CG2-CB 4.09Å; V24-F108 PolarHBondContact N-O 2.87Å; V24-F108 PolarHBondContact O-N 2.92Å; F26-F108 HydrophobicContact CD2-CD2 4.11Å; F26-F108 HydrophobicContact CD2-CE2 4.19Å; F26-F108 HydrophobicContact CE2-CD2 4.29Å; I55-F108 HydrophobicContact CD1-CD1 4.09Å; I55-F108 HydrophobicContact CD1-CD2 4.33Å; I55-F108 HydrophobicContact CD1-CE1 3.8Å; I55-F108 HydrophobicContact CD1-CE2 4.06Å; I55-F108 HydrophobicContact CD1-CG 4.35Å; I55-F108 HydrophobicContact CD1-CZ 3.78Å; I55-F108 HydrophobicContact CG2-CB 3.96Å; I55-F108 HydrophobicContact CG2-CD1 4.28Å; I55-F108 HydrophobicContact CG2-CG 4.05Å; V72-F108 CarbonylContact O-C 3.57Å; V72-F108 WeakPolarHBondContact O-CA 3.05Å
109	I	89.1	Confident	73.9	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.021	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.6	179.4	-58.4	175.4	0	0	0	108.6	L21 Y22 V71 V72 A74 L111 P167 I169	L21-I109 HydrophobicContact CD2-CG2 4.41Å; Y22-I109 CarbonylContact O-C 3.53Å; Y22-I109 WeakPolarHBondContact O-CA 3.39Å; V71-I109 CarbonylContact C-O 3.6Å; V71-I109 WeakPolarHBondContact CA-O 3.44Å; V72-I109 PolarHBondContact N-O 3.22Å; V72-I109 PolarHBondContact O-N 3.14Å; A74-I109 HydrophobicContact CB-CD1 3.84Å; A74-I109 HydrophobicContact CB-CG1 4.05Å; I109-L111 HydrophobicContact CG2-CD2 3.87Å; I109-P167 HydrophobicContact CD1-CB 3.84Å; I109-P167 HydrophobicContact CD1-CG 4.22Å; I109-I169 HydrophobicContact CD1-CG1 4.07Å; I109-I169 HydrophobicContact CG1-CD1 4.46Å; I109-I169 HydrophobicContact CG1-CG1 4.2Å
110	C	89.5	Confident	74.5	Confident	5 Å²	5	68.9 Å²	68.9	3%	0.034	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	111.9	176.2	-54.4	0	0	0	0	109.9	Y22 C59 Y63 I68	Y22-C110 WeakPolarHBondContact O-CB 3.3Å; Y22-C110 PolarHBondContact O-N 3.44Å; C59-C110 HydrophobicContact CB-CB 3.65Å; C59-C110 WeakPolarHBondContact CB-SG 3.19Å; C59-C110 WeakPolarHBondContact SG-CB 3.42Å; C59-C110 CovalentContact SG-SG 2.04Å; C59-C110 PolarHBondContact SG-SG 3.37Å; Y63-C110 HydrophobicContact CD2-CB 4.28Å; Y63-C110 HydrophobicContact CE2-CB 4.37Å; I68-C110 HydrophobicContact CD1-CB 4.13Å; I68-C110 HydrophobicContact CG1-CB 4.41Å; I68-C110 HydrophobicContact CG2-CB 3.93Å
111	L	81.6	Confident	75.2	Confident	52 Å²	52	64 Å²	64	27%	0.272	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.5	-176.8	-62.2	-177.3	0	0	0	112.4	I68 T69 A70 V72 I109	I68-L111 CarbonylContact C-O 3.54Å; I68-L111 WeakPolarHBondContact CA-O 3.5Å; T69-L111 PolarHBondContact N-O 2.65Å; A70-L111 HydrophobicContact CB-CB 4.39Å; A70-L111 PolarHBondContact N-O 3.29Å; A70-L111 PolarHBondContact O-N 3.47Å; V72-L111 HydrophobicContact CB-CD1 4.47Å; V72-L111 HydrophobicContact CG2-CD1 3.58Å; V72-L111 HydrophobicContact CG2-CG 4.4Å; I109-L111 HydrophobicContact CG2-CD2 3.87Å
112	D	75.3	Confident	75.1	Confident	26 Å²	26	60.1 Å²	60.1	14%	0.139	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	160.3	161.3	-97.1	-46	0	0	0	111.7	R66 N67 I114	R66-D112 IonicContact CZ-OD2 3.98Å; R66-D112 IonicContact NH1-OD2 3.66Å; R66-D112 PolarHBondContact NH1-OD2 2.57Å; N67-D112 PolarHBondContact N-OD1 2.97Å; N67-D112 WeakPolarHBondContact O-CA 3.35Å; D112-I114 HydrophobicContact CB-CG1 4.42Å; D112-I114 PolarHBondContact O-N 2.86Å
113	N	60.1	Low	74.7	Confident	70 Å²	70	60.4 Å²	60.4	37%	0.374	32%	0.319	S	S	.	.	S	Bend	trans	-70.3	62	175.4	-164.7	-17.4	0	0	0	113.6	N67 T69 R386	N67-N113 PolarHBondContact O-N 3.41Å; T69-N113 HydrophobicContact CG2-CB 3.73Å; T69-N113 VanDerWaalsContact OG1-CA 3.29Å; T69-N113 WeakPolarHBondContact OG1-CA 3.3Å; T69-N113 PolarHBondContact OG1-N 2.99Å; N113-R386 PolarHBondContact O-NH2 2.64Å
114	I	52.3	Low	74.4	Confident	89 Å²	89	60.6 Å²	60.6	46%	0.456	33%	0.332	S	S	.	.			trans	-81.7	127.3	163.5	-56.7	175.9	0	0	0	106.2	D112 M116	D112-I114 HydrophobicContact CB-CG1 4.42Å; D112-I114 PolarHBondContact O-N 2.86Å; I114-M116 PolarHBondContact O-N 3.24Å
115	P	48.7	Very low	74.3	Confident	53 Å²	53	56.3 Å²	56.3	34%	0.344	31%	0.314	S	S	.	.			trans	-61.2	126.6	177.4	26	-33.6	0	0	0	109.5	T117	P115-T117 PolarHBondContact O-N 3.09Å
116	M	50.3	Low	74.3	Confident	187 Å²	187	61.4 Å²	61.4	92%	0.921	34%	0.338	S	S	*	.			trans	-58.4	106.4	170.7	-76.5	-163.1	-71.4	0	0	108.5	I114 T118	I114-M116 PolarHBondContact O-N 3.24Å; M116-T118 PolarHBondContact O-N 2.78Å
117	T	58.2	Low	74.3	Confident	37 Å²	37	59.8 Å²	59.8	23%	0.227	33%	0.334	C	S	.	.			trans	-71.1	125.4	-175.2	54.3	0	0	0	0	109.5	P115 L119 L163 R348	P115-T117 PolarHBondContact O-N 3.09Å; T117-L119 PolarHBondContact O-N 2.9Å; T117-L163 WeakPolarHBondContact O-CD2 3.37Å; T117-L163 WeakPolarHBondContact OG1-CD1 3.47Å; T117-L163 WeakPolarHBondContact OG1-CD2 3.44Å; T117-R348 VanDerWaalsContact CG2-CZ 3.48Å
118	T	64.7	Low	74.2	Confident	106 Å²	106	60.9 Å²	60.9	65%	0.65	34%	0.342	S	S	*	.			trans	-82.7	114.1	179	39.5	0	0	0	0	110.3	M116 F120	M116-T118 PolarHBondContact O-N 2.78Å; T118-F120 PolarHBondContact O-N 3.08Å; T118-F120 VanDerWaalsContact O-N 3.12Å
119	L	71	Confident	74.2	Confident	24 Å²	24	61 Å²	61	13%	0.126	35%	0.349	C	S	.	.			trans	-75.3	98.9	172.1	179	62.1	0	0	0	109.5	T117 L127 S161 L163 K183 V185 L345	T117-L119 PolarHBondContact O-N 2.9Å; L119-L127 HydrophobicContact CD2-CD1 3.63Å; L119-L127 HydrophobicContact CG-CD1 4.21Å; L119-S161 WeakPolarHBondContact CD1-OG 3.37Å; L119-L163 HydrophobicContact CB-CB 4.19Å; L119-L163 HydrophobicContact CB-CD2 4.08Å; L119-L163 HydrophobicContact CD2-CB 4.14Å; L119-K183 HydrophobicContact CD2-CB 3.42Å; L119-K183 VanDerWaalsContact CD2-CB 3.42Å; L119-V185 HydrophobicContact CD1-CG2 3.91Å; L119-V185 HydrophobicContact CD2-CG2 4.02Å; L119-V185 HydrophobicContact CG-CG2 3.82Å; L119-L345 HydrophobicContact CD1-CD2 3.56Å
120	F	71.5	Confident	74.1	Confident	63 Å²	63	62.5 Å²	62.5	28%	0.276	36%	0.357	S	S	.	.			trans	-70.6	144.1	177.2	-179.8	-97.6	0	0	0	112.3	T118 P122 Q338	T118-F120 PolarHBondContact O-N 3.08Å; T118-F120 VanDerWaalsContact O-N 3.12Å; F120-P122 HydrophobicContact CD1-CG 4.09Å; F120-P122 VanDerWaalsContact CE1-CA 3.46Å; F120-P122 HydrophobicContact CE1-CB 3.99Å; F120-P122 HydrophobicContact CE1-CG 3.77Å; F120-P122 VanDerWaalsContact CE1-N 3.32Å; F120-Q338 HydrophobicContact CD1-CB 3.61Å; F120-Q338 HydrophobicContact CD1-CG 3.6Å; F120-Q338 HydrophobicContact CD2-CG 4.25Å; F120-Q338 HydrophobicContact CE1-CB 3.54Å; F120-Q338 HydrophobicContact CE1-CG 3.26Å; F120-Q338 VanDerWaalsContact CE1-OE1 3.29Å; F120-Q338 HydrophobicContact CE2-CG 3.98Å; F120-Q338 HydrophobicContact CG-CB 4.41Å; F120-Q338 HydrophobicContact CG-CG 4.1Å; F120-Q338 HydrophobicContact CZ-CB 4.3Å; F120-Q338 HydrophobicContact CZ-CG 3.51Å
121	T	77.1	Confident	73.8	Confident	42 Å²	42	66.1 Å²	66.1	26%	0.258	38%	0.375	S	S	.	.			trans	-123.2	106.9	-177.7	-55	0	0	0	0	110.7	C125 L127 V185	T121-C125 HydrophobicContact CG2-CB 4.38Å; T121-L127 HydrophobicContact CG2-CB 3.99Å; T121-V185 HydrophobicContact CG2-CG1 4.33Å
122	P	71.3	Confident	73.2	Confident	34 Å²	34	67 Å²	67	22%	0.221	38%	0.381	C	S	.	.			trans	-69.1	161	-178.4	-17.7	29.7	0	0	0	114.4	F120 G124 C125	F120-P122 HydrophobicContact CD1-CG 4.09Å; F120-P122 VanDerWaalsContact CE1-CA 3.46Å; F120-P122 HydrophobicContact CE1-CB 3.99Å; F120-P122 HydrophobicContact CE1-CG 3.77Å; F120-P122 VanDerWaalsContact CE1-N 3.32Å; P122-G124 PolarHBondContact O-N 2.95Å; P122-C125 VanDerWaalsContact O-CB 3.29Å; P122-C125 WeakPolarHBondContact O-CB 3.2Å; P122-C125 PolarHBondContact O-N 3.04Å
123	V	72.8	Confident	72.5	Confident	150 Å²	150	74 Å²	74	91%	0.909	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134.7	170.2	-178	0	0	0	0	109.7	C125	V123-C125 VanDerWaalsContact C-N 3.28Å
124	G	76	Confident	72.6	Confident	43 Å²	43	81.9 Å²	81.9	44%	0.443	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	1.3	-173.6	0	0	0	0	0	114.6	P122 K188	P122-G124 PolarHBondContact O-N 2.95Å; G124-K188 PolarHBondContact O-N 3.48Å; G124-K188 VanDerWaalsContact O-N 3.14Å
125	C	87	Confident	73.2	Confident	25 Å²	25	80.8 Å²	80.8	17%	0.169	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	160.1	174.5	-46.7	0	0	0	0	112.2	T121 P122 V123 V185 C186 C187	T121-C125 HydrophobicContact CG2-CB 4.38Å; P122-C125 VanDerWaalsContact O-CB 3.29Å; P122-C125 WeakPolarHBondContact O-CB 3.2Å; P122-C125 PolarHBondContact O-N 3.04Å; V123-C125 VanDerWaalsContact C-N 3.28Å; C125-V185 HydrophobicContact CB-CG1 3.69Å; C125-C186 CarbonylContact C-O 3.51Å; C125-C186 WeakPolarHBondContact CA-O 3.47Å; C125-C187 HydrophobicContact CB-CB 3.95Å; C125-C187 WeakPolarHBondContact CB-SG 3.49Å; C125-C187 WeakPolarHBondContact SG-CB 3.11Å; C125-C187 CovalentContact SG-SG 2.04Å; C125-C187 PolarHBondContact SG-SG 2.97Å
126	Q	89.6	Confident	74.3	Confident	112 Å²	112	83.3 Å²	83.3	52%	0.523	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131	-179.9	-68	179.2	-24.2	0	0	109.6	M157 V185 C186	Q126-M157 HydrophobicContact CG-CE 4.27Å; Q126-V185 WeakPolarHBondContact O-CA 3.44Å; Q126-C186 PolarHBondContact N-O 3.08Å; Q126-C186 PolarHBondContact O-N 3.27Å
127	L	90.5	Very high	75.9	Confident	87 Å²	87	75.9 Å²	75.9	46%	0.455	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.4	168.7	-178.2	62.4	0	0	0	109.2	L119 T121 K183 V185	L119-L127 HydrophobicContact CD2-CD1 3.63Å; L119-L127 HydrophobicContact CG-CD1 4.21Å; T121-L127 HydrophobicContact CG2-CB 3.99Å; L127-K183 HydrophobicContact CD1-CB 4.09Å; L127-V185 HydrophobicContact CD1-CG2 4.04Å
128	S	90.5	Very high	77.3	Confident	23 Å²	23	75 Å²	75	16%	0.161	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	147.5	166.8	61.1	0	0	0	0	111.6	R155 K183 V184	S128-R155 PolarHBondContact OG-NH1 3.35Å; S128-R155 PolarHBondContact OG-NH2 3.21Å; S128-K183 WeakPolarHBondContact O-CA 3.22Å; S128-V184 PolarHBondContact N-O 3.06Å; S128-V184 PolarHBondContact O-N 3.32Å; S128-V184 WeakPolarHBondContact OG-CG1 3.44Å
129	S	90.3	Very high	78.5	Confident	49 Å²	49	73.5 Å²	73.5	34%	0.343	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	151.1	161.4	-59	0	0	0	0	110.8	D131 A182	S129-D131 WeakPolarHBondContact CB-OD1 3.41Å; S129-A182 CarbonylContact C-O 3.58Å
130	L	87.7	Confident	79.1	Confident	36 Å²	36	74 Å²	74	19%	0.188	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	90	157.8	-61.9	-178.4	0	0	0	106.3	W144 T148 A151 A181 A182 V184	L130-W144 HydrophobicContact CB-CZ3 3.94Å; L130-W144 WeakPolarHBondContact O-CH2 3.18Å; L130-W144 VanDerWaalsContact O-CZ3 3.24Å; L130-W144 WeakPolarHBondContact O-CZ3 3.42Å; L130-T148 HydrophobicContact CD1-CG2 3.69Å; L130-A151 HydrophobicContact CD1-CB 3.6Å; L130-A151 HydrophobicContact CD2-CB 3.83Å; L130-A151 HydrophobicContact CG-CB 4.36Å; L130-A181 WeakPolarHBondContact O-CA 3.09Å; L130-A182 PolarHBondContact N-O 2.82Å; L130-A182 PolarHBondContact O-N 3Å; L130-A182 VanDerWaalsContact O-N 3.14Å; L130-V184 HydrophobicContact CD1-CG1 4.11Å; L130-V184 HydrophobicContact CD2-CG1 4.48Å; L130-V184 HydrophobicContact CG-CG1 4Å
131	D	83.7	Confident	79.6	Confident	80 Å²	80	72.2 Å²	72.2	43%	0.428	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.2	173.2	42.3	-28.7	0	0	0	108	S129 E133 A181	S129-D131 WeakPolarHBondContact CB-OD1 3.41Å; D131-E133 VanDerWaalsContact C-N 3.33Å; D131-E133 PolarHBondContact O-N 2.7Å; D131-A181 HydrophobicContact CB-CB 3.89Å
132	N	68	Low	79.9	Confident	71 Å²	71	76.9 Å²	76.9	38%	0.38	40%	0.398	S	S	.	.			trans	-85.5	79.6	-178.1	-171.2	2.8	0	0	0	110	R134 S135 V137	N132-R134 PolarHBondContact O-N 2.91Å; N132-S135 WeakPolarHBondContact CB-O 3.04Å; N132-S135 VanDerWaalsContact CG-O 3.24Å; N132-S135 PolarHBondContact ND2-O 2.94Å; N132-S135 VanDerWaalsContact ND2-O 3.16Å; N132-S135 PolarHBondContact ND2-OG 3.34Å; N132-S135 PolarHBondContact O-N 2.86Å; N132-S135 VanDerWaalsContact O-O 3.05Å; N132-V137 HydrophobicContact CB-CG2 4.13Å; N132-V137 VanDerWaalsContact ND2-CG2 3.33Å; N132-V137 WeakPolarHBondContact ND2-CG2 3.48Å
133	E	61.7	Low	80.8	Confident	174 Å²	174	78.7 Å²	78.7	81%	0.813	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.8	-177.8	-62.2	-176.8	141.5	0	0	114.1	D131	D131-E133 VanDerWaalsContact C-N 3.33Å; D131-E133 PolarHBondContact O-N 2.7Å
134	R	61.1	Low	81.6	Confident	234 Å²	234	72 Å²	72	88%	0.883	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-18.8	-169.9	-61.8	-176.5	-175.6	178.7	1.1	114.5	N132	N132-R134 PolarHBondContact O-N 2.91Å
135	S	64.5	Low	82.1	Confident	67 Å²	67	72.2 Å²	72.2	47%	0.469	35%	0.35	S	S	.	.	S	Bend	trans	-150.7	132.7	174.7	52.3	0	0	0	0	111.5	N132 V137	N132-S135 WeakPolarHBondContact CB-O 3.04Å; N132-S135 VanDerWaalsContact CG-O 3.24Å; N132-S135 PolarHBondContact ND2-O 2.94Å; N132-S135 VanDerWaalsContact ND2-O 3.16Å; N132-S135 PolarHBondContact ND2-OG 3.34Å; N132-S135 PolarHBondContact O-N 2.86Å; N132-S135 VanDerWaalsContact O-O 3.05Å; S135-V137 PolarHBondContact O-N 3.34Å
136	Y	73.5	Confident	82.3	Confident	106 Å²	106	74.5 Å²	74.5	42%	0.416	37%	0.366	S	S	.	.			trans	-60.7	113.5	176.4	176.7	-138.8	0	0	0	109.8	P75 I77 C138 C168 I169 A180	P75-Y136 HydrophobicContact CB-CD2 3.97Å; P75-Y136 HydrophobicContact CB-CE1 4.38Å; P75-Y136 HydrophobicContact CB-CE2 3.63Å; P75-Y136 HydrophobicContact CB-CG 4.49Å; P75-Y136 HydrophobicContact CG-CD2 3.94Å; P75-Y136 HydrophobicContact CG-CE2 3.49Å; P75-Y136 VanDerWaalsContact CG-CE2 3.49Å; I77-Y136 HydrophobicContact CG2-CE1 4.49Å; Y136-C138 HydrophobicContact CD2-CB 4.48Å; Y136-C138 HydrophobicContact CE1-CB 4.24Å; Y136-C138 HydrophobicContact CE2-CB 3.64Å; Y136-C138 WeakPolarHBondContact OH-CB 3.28Å; Y136-C138 PolarHBondContact OH-SG 3.03Å; Y136-C168 HydrophobicContact CE2-CB 4.25Å; Y136-I169 PolarHBondContact OH-O 3.03Å; Y136-A180 HydrophobicContact CE2-CB 4.21Å
137	V	82.5	Confident	82.4	Confident	30 Å²	30	70.5 Å²	70.5	18%	0.182	35%	0.351	C	S	.	.			trans	-108	132.2	167.2	173	0	0	0	0	106	N132 S135 E139 F143 W144 A180	N132-V137 HydrophobicContact CB-CG2 4.13Å; N132-V137 VanDerWaalsContact ND2-CG2 3.33Å; N132-V137 WeakPolarHBondContact ND2-CG2 3.48Å; S135-V137 PolarHBondContact O-N 3.34Å; V137-E139 HydrophobicContact CG1-CB 3.87Å; V137-E139 HydrophobicContact CG1-CG 3.53Å; V137-F143 HydrophobicContact CG1-CE1 3.81Å; V137-F143 HydrophobicContact CG1-CZ 3.99Å; V137-W144 HydrophobicContact CG1-CZ2 4.35Å; V137-A180 VanDerWaalsContact O-CA 3.24Å; V137-A180 WeakPolarHBondContact O-CA 2.91Å; V137-A180 WeakPolarHBondContact O-CB 3.49Å
138	C	88.4	Confident	82.4	Confident	18 Å²	18	66.3 Å²	66.3	12%	0.122	33%	0.329	C	S	.	.			trans	-134	94	172.4	-173.7	0	0	0	0	107.7	Y136 C168 I169 Y178	Y136-C138 HydrophobicContact CD2-CB 4.48Å; Y136-C138 HydrophobicContact CE1-CB 4.24Å; Y136-C138 HydrophobicContact CE2-CB 3.64Å; Y136-C138 WeakPolarHBondContact OH-CB 3.28Å; Y136-C138 PolarHBondContact OH-SG 3.03Å; C138-C168 WeakPolarHBondContact CA-SG 3.4Å; C138-C168 HydrophobicContact CB-CB 4.11Å; C138-C168 WeakPolarHBondContact CB-SG 3.12Å; C138-C168 VanDerWaalsContact SG-C 3.53Å; C138-C168 WeakPolarHBondContact SG-CB 3.37Å; C138-C168 CovalentContact SG-SG 2.03Å; C138-C168 PolarHBondContact SG-SG 2.98Å; C138-I169 PolarHBondContact SG-O 3.15Å; C138-I169 VanDerWaalsContact SG-O 3.38Å; C138-Y178 WeakPolarHBondContact O-CD1 3.15Å; C138-Y178 WeakPolarHBondContact SG-CB 3.48Å
139	E	89.4	Confident	82.5	Confident	75 Å²	75	69.8 Å²	69.8	35%	0.35	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-133.8	154.9	-163.8	-79.3	-67.5	178	0	0	112	V137 F143 W144 F179	V137-E139 HydrophobicContact CG1-CB 3.87Å; V137-E139 HydrophobicContact CG1-CG 3.53Å; E139-F143 HydrophobicContact CB-CB 3.68Å; E139-F143 HydrophobicContact CB-CD1 3.37Å; E139-F143 HydrophobicContact CB-CD2 4.22Å; E139-F143 HydrophobicContact CB-CE1 4.04Å; E139-F143 HydrophobicContact CB-CG 3.49Å; E139-F143 VanDerWaalsContact CB-CG 3.49Å; E139-F143 HydrophobicContact CG-CB 4.25Å; E139-F143 HydrophobicContact CG-CD1 3.95Å; E139-F143 HydrophobicContact CG-CD2 4.01Å; E139-F143 HydrophobicContact CG-CE1 4.3Å; E139-F143 HydrophobicContact CG-CE2 4.35Å; E139-F143 HydrophobicContact CG-CG 3.8Å; E139-F143 HydrophobicContact CG-CZ 4.49Å; E139-W144 VanDerWaalsContact O-CD1 3.31Å; E139-W144 PolarHBondContact O-NE1 2.77Å; E139-W144 VanDerWaalsContact O-NE1 3.09Å; E139-F179 PolarHBondContact N-O 3.48Å; E139-F179 PolarHBondContact O-N 2.79Å
140	N	83.7	Confident	82.7	Confident	35 Å²	35	72.6 Å²	72.6	19%	0.187	35%	0.346	C	S	.	.			trans	-84	179.1	-170.2	68.7	15.3	0	0	0	113.3	K142 F143 W144 Y178	N140-K142 PolarHBondContact O-N 2.97Å; N140-K142 WeakPolarHBondContact OD1-CB 3.21Å; N140-K142 PolarHBondContact OD1-N 3.01Å; N140-F143 PolarHBondContact O-N 3.28Å; N140-F143 PolarHBondContact OD1-N 3.05Å; N140-W144 VanDerWaalsContact O-CD1 3.23Å; N140-W144 PolarHBondContact O-N 3.37Å; N140-Y178 HydrophobicContact CB-CD1 4.17Å; N140-Y178 HydrophobicContact CB-CE1 4.08Å
141	Y	81.8	Confident	82.8	Confident	26 Å²	26	71.6 Å²	71.6	10%	0.102	34%	0.343	C	S	.	.	H	α-helix	trans	-59	-31.5	-176.3	-86.2	-98.5	0	0	0	113.4	E145 Y162 P164 F179 N349 Q352 N353 E356	Y141-E145 WeakPolarHBondContact O-CB 3.43Å; Y141-E145 PolarHBondContact O-N 3.39Å; Y141-Y162 PolarHBondContact O-OH 3.1Å; Y141-P164 HydrophobicContact CD1-CG 3.77Å; Y141-P164 HydrophobicContact CE1-CB 4.41Å; Y141-P164 HydrophobicContact CE1-CG 3.75Å; Y141-P164 HydrophobicContact CG-CG 4.35Å; Y141-F179 HydrophobicContact CD2-CD2 4.33Å; Y141-F179 AromaticContact CD2-CE2 3.7Å; Y141-F179 HydrophobicContact CD2-CE2 3.7Å; Y141-F179 HydrophobicContact CD2-CZ 4.49Å; Y141-F179 HydrophobicContact CE2-CD2 4.12Å; Y141-F179 AromaticContact CE2-CE2 3.15Å; Y141-F179 HydrophobicContact CE2-CE2 3.15Å; Y141-F179 AromaticContact CE2-CZ 3.54Å; Y141-F179 HydrophobicContact CE2-CZ 3.54Å; Y141-F179 AromaticContact CZ-CE2 3.83Å; Y141-F179 AromaticContact CZ-CZ 3.83Å; Y141-N349 HydrophobicContact CD1-CB 4.12Å; Y141-N349 HydrophobicContact CE1-CB 4.31Å; Y141-Q352 HydrophobicContact CD1-CG 4.39Å; Y141-Q352 HydrophobicContact CD2-CB 4.42Å; Y141-Q352 HydrophobicContact CD2-CG 3.46Å; Y141-Q352 VanDerWaalsContact CD2-CG 3.46Å; Y141-Q352 HydrophobicContact CE1-CG 4.29Å; Y141-Q352 HydrophobicContact CE2-CB 4.36Å; Y141-Q352 HydrophobicContact CE2-CG 3.31Å; Y141-Q352 HydrophobicContact CG-CG 4.01Å; Y141-N353 VanDerWaalsContact C-OD1 3.25Å; Y141-N353 WeakPolarHBondContact CB-OD1 3.17Å; Y141-E356 VanDerWaalsContact CD2-OE1 3.3Å; Y141-E356 WeakPolarHBondContact CD2-OE1 3.43Å; Y141-E356 PolarHBondContact N-OE2 2.94Å
142	K	84.5	Confident	83.3	Confident	140 Å²	140	67.8 Å²	67.8	61%	0.609	32%	0.322	S	S	*	.	H	α-helix	trans	-68.4	-42.2	-179.8	179.6	-169.6	173.4	-169.9	0	112	N140 S146 N353	N140-K142 PolarHBondContact O-N 2.97Å; N140-K142 WeakPolarHBondContact OD1-CB 3.21Å; N140-K142 PolarHBondContact OD1-N 3.01Å; K142-S146 PolarHBondContact O-N 2.76Å; K142-N353 WeakPolarHBondContact CA-OD1 3.47Å; K142-N353 PolarHBondContact N-OD1 2.62Å
143	F	88.9	Confident	84.5	Confident	72 Å²	72	70.4 Å²	70.4	32%	0.316	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-53.3	173.5	171.3	-92.4	0	0	0	110.3	V137 E139 N140 E145 S146 S147	V137-F143 HydrophobicContact CG1-CE1 3.81Å; V137-F143 HydrophobicContact CG1-CZ 3.99Å; E139-F143 HydrophobicContact CB-CB 3.68Å; E139-F143 HydrophobicContact CB-CD1 3.37Å; E139-F143 HydrophobicContact CB-CD2 4.22Å; E139-F143 HydrophobicContact CB-CE1 4.04Å; E139-F143 HydrophobicContact CB-CG 3.49Å; E139-F143 VanDerWaalsContact CB-CG 3.49Å; E139-F143 HydrophobicContact CG-CB 4.25Å; E139-F143 HydrophobicContact CG-CD1 3.95Å; E139-F143 HydrophobicContact CG-CD2 4.01Å; E139-F143 HydrophobicContact CG-CE1 4.3Å; E139-F143 HydrophobicContact CG-CE2 4.35Å; E139-F143 HydrophobicContact CG-CG 3.8Å; E139-F143 HydrophobicContact CG-CZ 4.49Å; N140-F143 PolarHBondContact O-N 3.28Å; N140-F143 PolarHBondContact OD1-N 3.05Å; F143-E145 VanDerWaalsContact C-N 3.27Å; F143-E145 PolarHBondContact O-N 3.36Å; F143-S146 PolarHBondContact O-N 2.85Å; F143-S147 WeakPolarHBondContact CZ-OG 3.31Å; F143-S147 PolarHBondContact O-N 3.15Å; F143-S147 PolarHBondContact O-OG 2.8Å
144	W	90.1	Very high	85.9	Confident	8 Å²	8	68.5 Å²	68.5	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-63.1	-32.3	-178.4	-69.6	109.8	0	0	0	112.6	L130 V137 E139 N140 S146 T148 Y162 P164 F179 A182	L130-W144 HydrophobicContact CB-CZ3 3.94Å; L130-W144 WeakPolarHBondContact O-CH2 3.18Å; L130-W144 VanDerWaalsContact O-CZ3 3.24Å; L130-W144 WeakPolarHBondContact O-CZ3 3.42Å; V137-W144 HydrophobicContact CG1-CZ2 4.35Å; E139-W144 VanDerWaalsContact O-CD1 3.31Å; E139-W144 PolarHBondContact O-NE1 2.77Å; E139-W144 VanDerWaalsContact O-NE1 3.09Å; N140-W144 VanDerWaalsContact O-CD1 3.23Å; N140-W144 PolarHBondContact O-N 3.37Å; W144-S146 VanDerWaalsContact C-N 3.34Å; W144-S146 PolarHBondContact O-N 3.02Å; W144-T148 WeakPolarHBondContact O-CB 3.3Å; W144-T148 WeakPolarHBondContact O-CG2 3.2Å; W144-T148 PolarHBondContact O-N 2.98Å; W144-T148 PolarHBondContact O-OG1 3.16Å; W144-Y162 HydrophobicContact CB-CD2 4.2Å; W144-Y162 HydrophobicContact CB-CE2 3.91Å; W144-P164 HydrophobicContact CB-CG 4.01Å; W144-P164 HydrophobicContact CG-CG 4.29Å; W144-F179 WeakPolarHBondContact CZ2-O 3.46Å; W144-F179 PolarHBondContact NE1-O 2.65Å; W144-A182 HydrophobicContact CB-CB 4.3Å; W144-A182 HydrophobicContact CD2-CB 3.73Å; W144-A182 HydrophobicContact CE3-CB 3.44Å; W144-A182 VanDerWaalsContact CE3-CB 3.44Å; W144-A182 HydrophobicContact CG-CB 4.11Å; W144-A182 HydrophobicContact CZ3-CB 4.03Å
145	E	87.5	Confident	87.3	Confident	48 Å²	48	62.8 Å²	62.8	22%	0.224	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-42.6	172.3	-161.8	-168.9	157.7	0	0	112.3	Y141 F143 T148 R149 Y162 N353	Y141-E145 WeakPolarHBondContact O-CB 3.43Å; Y141-E145 PolarHBondContact O-N 3.39Å; F143-E145 VanDerWaalsContact C-N 3.27Å; F143-E145 PolarHBondContact O-N 3.36Å; E145-T148 PolarHBondContact O-OG1 2.8Å; E145-R149 WeakPolarHBondContact O-CG 3.42Å; E145-R149 PolarHBondContact O-N 3.41Å; E145-R149 IonicContact OE1-CZ 3.64Å; E145-R149 IonicContact OE1-NH1 3.2Å; E145-R149 PolarHBondContact OE1-NH1 3.07Å; E145-R149 IonicContact OE1-NH2 3.99Å; E145-R149 PolarHBondContact OE1-NH2 3.23Å; E145-Y162 HydrophobicContact CB-CE1 4.34Å; E145-Y162 HydrophobicContact CB-CE2 4.26Å; E145-Y162 WeakPolarHBondContact CB-OH 3.49Å; E145-Y162 HydrophobicContact CG-CE1 4.07Å; E145-N353 PolarHBondContact OE2-ND2 3.02Å
146	S	90.5	Very high	88.6	Confident	73 Å²	73	65.9 Å²	65.9	51%	0.51	32%	0.32	S	S	.	.	H	α-helix	trans	-71.7	-54.3	178.1	-164.7	0	0	0	0	111.2	K142 F143 W144 T148 R149 E150	K142-S146 PolarHBondContact O-N 2.76Å; F143-S146 PolarHBondContact O-N 2.85Å; W144-S146 VanDerWaalsContact C-N 3.34Å; W144-S146 PolarHBondContact O-N 3.02Å; S146-T148 VanDerWaalsContact C-N 3.29Å; S146-T148 PolarHBondContact O-N 3.35Å; S146-R149 PolarHBondContact O-N 2.7Å; S146-E150 PolarHBondContact O-N 2.9Å
147	S	91.4	Very high	89.4	Confident	28 Å²	28	62 Å²	62	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-30.8	-175.3	-54.5	0	0	0	0	113.1	F143 A151	F143-S147 WeakPolarHBondContact CZ-OG 3.31Å; F143-S147 PolarHBondContact O-N 3.15Å; F143-S147 PolarHBondContact O-OG 2.8Å; S147-A151 VanDerWaalsContact O-CB 3.25Å; S147-A151 WeakPolarHBondContact O-CB 3.44Å; S147-A151 PolarHBondContact O-N 2.85Å
148	T	91.1	Very high	89.6	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-74.8	-35.1	176.4	57.8	0	0	0	0	112.6	L130 W144 E145 S146 C152 F159 Y162 A182 V184	L130-T148 HydrophobicContact CD1-CG2 3.69Å; W144-T148 WeakPolarHBondContact O-CB 3.3Å; W144-T148 WeakPolarHBondContact O-CG2 3.2Å; W144-T148 PolarHBondContact O-N 2.98Å; W144-T148 PolarHBondContact O-OG1 3.16Å; E145-T148 PolarHBondContact O-OG1 2.8Å; S146-T148 VanDerWaalsContact C-N 3.29Å; S146-T148 PolarHBondContact O-N 3.35Å; T148-C152 PolarHBondContact O-N 3.07Å; T148-F159 WeakPolarHBondContact OG1-CE2 3.46Å; T148-Y162 HydrophobicContact CG2-CD2 4.01Å; T148-Y162 HydrophobicContact CG2-CG 4.27Å; T148-A182 HydrophobicContact CG2-CB 4.18Å; T148-V184 HydrophobicContact CG2-CB 4.07Å; T148-V184 HydrophobicContact CG2-CG2 4.38Å
149	R	92.5	Very high	89.6	Confident	96 Å²	96	65.9 Å²	65.9	36%	0.362	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-48.4	169.6	-74	176.3	-177.2	138.2	7.9	111.1	E145 S146 A151 C152 L153 F159	E145-R149 WeakPolarHBondContact O-CG 3.42Å; E145-R149 PolarHBondContact O-N 3.41Å; E145-R149 IonicContact OE1-CZ 3.64Å; E145-R149 IonicContact OE1-NH1 3.2Å; E145-R149 PolarHBondContact OE1-NH1 3.07Å; E145-R149 IonicContact OE1-NH2 3.99Å; E145-R149 PolarHBondContact OE1-NH2 3.23Å; S146-R149 PolarHBondContact O-N 2.7Å; R149-A151 PolarHBondContact O-N 3.4Å; R149-C152 PolarHBondContact O-N 3.42Å; R149-L153 WeakPolarHBondContact O-CG 3.32Å; R149-L153 PolarHBondContact O-N 3Å; R149-F159 HydrophobicContact CB-CD2 4.27Å; R149-F159 HydrophobicContact CB-CG 4.42Å; R149-F159 HydrophobicContact CG-CB 4.23Å; R149-F159 HydrophobicContact CG-CD1 3.85Å; R149-F159 HydrophobicContact CG-CD2 3.65Å; R149-F159 HydrophobicContact CG-CE1 4.03Å; R149-F159 HydrophobicContact CG-CE2 3.83Å; R149-F159 HydrophobicContact CG-CG 3.64Å; R149-F159 HydrophobicContact CG-CZ 4Å
150	E	93.2	Very high	89.4	Confident	108 Å²	108	64.1 Å²	64.1	51%	0.505	31%	0.307	S	S	.	.	H	α-helix	trans	-60	-43.3	179	-171.8	173.1	-168.7	0	0	112.1	S146 C152 L153 I154	S146-E150 PolarHBondContact O-N 2.9Å; E150-C152 VanDerWaalsContact C-N 3.28Å; E150-C152 PolarHBondContact O-N 3.39Å; E150-L153 PolarHBondContact O-N 3.45Å; E150-L153 VanDerWaalsContact O-N 3.08Å; E150-I154 HydrophobicContact CG-CD1 3.95Å; E150-I154 HydrophobicContact CG-CG1 4.42Å; E150-I154 WeakPolarHBondContact O-CG1 3.44Å; E150-I154 PolarHBondContact O-N 3.15Å
151	A	91.8	Very high	89.4	Confident	14 Å²	14	62.8 Å²	62.8	12%	0.116	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-31.6	176.3	0	0	0	0	0	113.9	L130 S147 R149 R155	L130-A151 HydrophobicContact CD1-CB 3.6Å; L130-A151 HydrophobicContact CD2-CB 3.83Å; L130-A151 HydrophobicContact CG-CB 4.36Å; S147-A151 VanDerWaalsContact O-CB 3.25Å; S147-A151 WeakPolarHBondContact O-CB 3.44Å; S147-A151 PolarHBondContact O-N 2.85Å; R149-A151 PolarHBondContact O-N 3.4Å; A151-R155 WeakPolarHBondContact O-CG 3.49Å
152	C	93.5	Very high	89.8	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-73.9	-42.7	170.9	-63.3	0	0	0	0	111.7	T148 R149 E150 I154 R155 N156 M157 F159 V184 C186	T148-C152 PolarHBondContact O-N 3.07Å; R149-C152 PolarHBondContact O-N 3.42Å; E150-C152 VanDerWaalsContact C-N 3.28Å; E150-C152 PolarHBondContact O-N 3.39Å; C152-I154 PolarHBondContact O-N 2.75Å; C152-R155 CarbonylContact O-C 3.57Å; C152-R155 PolarHBondContact O-N 3.43Å; C152-R155 VanDerWaalsContact O-N 3.09Å; C152-N156 PolarHBondContact O-N 3.1Å; C152-M157 CarbonylContact C-O 3.5Å; C152-M157 VanDerWaalsContact C-O 3.23Å; C152-M157 WeakPolarHBondContact CB-O 3.33Å; C152-M157 PolarHBondContact O-N 3.04Å; C152-F159 HydrophobicContact CB-CB 4.14Å; C152-V184 VanDerWaalsContact SG-CG2 3.52Å; C152-C186 WeakPolarHBondContact CA-SG 3.44Å; C152-C186 HydrophobicContact CB-CB 3.81Å; C152-C186 WeakPolarHBondContact CB-SG 3.44Å; C152-C186 VanDerWaalsContact SG-CA 3.58Å; C152-C186 WeakPolarHBondContact SG-CB 3.2Å; C152-C186 CovalentContact SG-SG 2.04Å; C152-C186 PolarHBondContact SG-SG 3.31Å
153	L	92	Very high	89.9	Confident	127 Å²	127	56 Å²	56	67%	0.665	27%	0.272	S	S	*	.	H	α-helix	trans	-60.2	-43.4	178.3	-69.5	170.7	0	0	0	112.4	R149 E150 R155 N156	R149-L153 WeakPolarHBondContact O-CG 3.32Å; R149-L153 PolarHBondContact O-N 3Å; E150-L153 PolarHBondContact O-N 3.45Å; E150-L153 VanDerWaalsContact O-N 3.08Å; L153-R155 PolarHBondContact O-N 3.43Å; L153-N156 WeakPolarHBondContact O-CA 3.39Å; L153-N156 PolarHBondContact O-N 3.09Å
154	I	92.3	Very high	89.7	Confident	134 Å²	134	52.8 Å²	52.8	69%	0.687	26%	0.258	S	S	*	.	H	α-helix	trans	-58.3	-32.4	175.3	-70.8	167.4	0	0	0	111.7	E150 C152 N156	E150-I154 HydrophobicContact CG-CD1 3.95Å; E150-I154 HydrophobicContact CG-CG1 4.42Å; E150-I154 WeakPolarHBondContact O-CG1 3.44Å; E150-I154 PolarHBondContact O-N 3.15Å; C152-I154 PolarHBondContact O-N 2.75Å; I154-N156 VanDerWaalsContact C-N 3.28Å; I154-N156 PolarHBondContact O-N 3.4Å
155	R	91	Very high	89.4	Confident	113 Å²	113	56.7 Å²	56.7	43%	0.426	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.6	176.6	-64.1	175.9	-173.1	167.4	6.4	113.4	S128 A151 C152 L153 M157	S128-R155 PolarHBondContact OG-NH1 3.35Å; S128-R155 PolarHBondContact OG-NH2 3.21Å; A151-R155 WeakPolarHBondContact O-CG 3.49Å; C152-R155 CarbonylContact O-C 3.57Å; C152-R155 PolarHBondContact O-N 3.43Å; C152-R155 VanDerWaalsContact O-N 3.09Å; L153-R155 PolarHBondContact O-N 3.43Å; R155-M157 HydrophobicContact CB-CB 4.33Å; R155-M157 HydrophobicContact CB-CG 4Å; R155-M157 WeakPolarHBondContact O-CG 3.44Å; R155-M157 PolarHBondContact O-N 3.34Å
156	N	90.7	Very high	89.3	Confident	133 Å²	133	58.7 Å²	58.7	71%	0.711	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	35	-169.6	-165.2	28.6	0	0	0	113.3	C152 L153 I154 N189	C152-N156 PolarHBondContact O-N 3.1Å; L153-N156 WeakPolarHBondContact O-CA 3.39Å; L153-N156 PolarHBondContact O-N 3.09Å; I154-N156 VanDerWaalsContact C-N 3.28Å; I154-N156 PolarHBondContact O-N 3.4Å; N156-N189 PolarHBondContact O-ND2 3.13Å
157	M	90.5	Very high	89	Confident	23 Å²	23	55.6 Å²	55.6	11%	0.113	26%	0.26	C	S	.	.			trans	-116.8	149.1	-177.1	-67.8	-84.8	-79.4	0	0	110	Q126 C152 R155 C186 K188	Q126-M157 HydrophobicContact CG-CE 4.27Å; C152-M157 CarbonylContact C-O 3.5Å; C152-M157 VanDerWaalsContact C-O 3.23Å; C152-M157 WeakPolarHBondContact CB-O 3.33Å; C152-M157 PolarHBondContact O-N 3.04Å; R155-M157 HydrophobicContact CB-CB 4.33Å; R155-M157 HydrophobicContact CB-CG 4Å; R155-M157 WeakPolarHBondContact O-CG 3.44Å; R155-M157 PolarHBondContact O-N 3.34Å; M157-C186 HydrophobicContact CB-CB 3.76Å; M157-C186 HydrophobicContact CE-CB 4.35Å; M157-C186 WeakPolarHBondContact CE-O 3.43Å; M157-K188 HydrophobicContact CE-CG 4.14Å; M157-K188 HydrophobicContact SD-CB 4.36Å; M157-K188 HydrophobicContact SD-CG 3.87Å
158	R	87.6	Confident	88.8	Confident	92 Å²	92	54.3 Å²	54.3	35%	0.347	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	127.5	177.4	170	167.8	165.4	-166.7	-14.1	110.9	C186 C187 N189 T246	R158-C186 CarbonylContact O-C 3.58Å; R158-C186 WeakPolarHBondContact O-CA 3.46Å; R158-C187 PolarHBondContact N-O 3.24Å; R158-C187 PolarHBondContact O-N 2.79Å; R158-N189 WeakPolarHBondContact CB-OD1 3.26Å; R158-T246 VanDerWaalsContact CZ-OG1 3.27Å; R158-T246 PolarHBondContact NH1-OG1 2.99Å; R158-T246 VanDerWaalsContact NH1-OG1 3.17Å; R158-T246 PolarHBondContact NH2-OG1 3.36Å
159	F	88.3	Confident	88.4	Confident	38 Å²	38	54.3 Å²	54.3	17%	0.167	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135	167.5	175.3	-93.5	0	0	0	111.5	T148 R149 C152 Y162 V184	T148-F159 WeakPolarHBondContact OG1-CE2 3.46Å; R149-F159 HydrophobicContact CB-CD2 4.27Å; R149-F159 HydrophobicContact CB-CG 4.42Å; R149-F159 HydrophobicContact CG-CB 4.23Å; R149-F159 HydrophobicContact CG-CD1 3.85Å; R149-F159 HydrophobicContact CG-CD2 3.65Å; R149-F159 HydrophobicContact CG-CE1 4.03Å; R149-F159 HydrophobicContact CG-CE2 3.83Å; R149-F159 HydrophobicContact CG-CG 3.64Å; R149-F159 HydrophobicContact CG-CZ 4Å; C152-F159 HydrophobicContact CB-CB 4.14Å; F159-Y162 HydrophobicContact CE2-CD1 4.42Å; F159-Y162 AromaticContact CZ-CD1 3.89Å; F159-Y162 HydrophobicContact CZ-CD1 3.89Å; F159-Y162 HydrophobicContact CZ-CG 4.46Å; F159-V184 HydrophobicContact CD2-CG2 4.15Å; F159-V184 HydrophobicContact CE2-CG2 4.25Å
160	Q	83.8	Confident	88	Confident	38 Å²	38	50.4 Å²	50.4	18%	0.178	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-47	178.5	177.4	59.4	34.8	0	0	113	V185 C187	Q160-V185 HydrophobicContact CB-CB 4.45Å; Q160-V185 HydrophobicContact CB-CG1 4.12Å; Q160-V185 HydrophobicContact CG-CG1 4.31Å; Q160-V185 PolarHBondContact N-O 2.95Å; Q160-C187 VanDerWaalsContact CB-SG 3.54Å
161	S	84.8	Confident	87.3	Confident	7 Å²	7	49.7 Å²	49.7	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.8	162.3	179.7	51.7	0	0	0	0	111.7	L119 V185	L119-S161 WeakPolarHBondContact CD1-OG 3.37Å; S161-V185 PolarHBondContact O-N 3.03Å
162	Y	89.4	Confident	86.5	Confident	10 Å²	10	58.1 Å²	58.1	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.4	176.5	81.1	-63.2	0	0	0	112.4	Y141 W144 E145 T148 F159 P164 K183 N349	Y141-Y162 PolarHBondContact O-OH 3.1Å; W144-Y162 HydrophobicContact CB-CD2 4.2Å; W144-Y162 HydrophobicContact CB-CE2 3.91Å; E145-Y162 HydrophobicContact CB-CE1 4.34Å; E145-Y162 HydrophobicContact CB-CE2 4.26Å; E145-Y162 WeakPolarHBondContact CB-OH 3.49Å; E145-Y162 HydrophobicContact CG-CE1 4.07Å; T148-Y162 HydrophobicContact CG2-CD2 4.01Å; T148-Y162 HydrophobicContact CG2-CG 4.27Å; F159-Y162 HydrophobicContact CE2-CD1 4.42Å; F159-Y162 AromaticContact CZ-CD1 3.89Å; F159-Y162 HydrophobicContact CZ-CD1 3.89Å; F159-Y162 HydrophobicContact CZ-CG 4.46Å; Y162-P164 HydrophobicContact CD2-CG 4.11Å; Y162-P164 HydrophobicContact CE2-CG 3.84Å; Y162-K183 CarbonylContact C-O 3.58Å; Y162-K183 VanDerWaalsContact CA-O 3.27Å; Y162-K183 WeakPolarHBondContact CA-O 3.24Å; Y162-N349 WeakPolarHBondContact CD1-ND2 3.44Å; Y162-N349 HydrophobicContact CE1-CB 3.95Å; Y162-N349 WeakPolarHBondContact CE1-ND2 3.4Å; Y162-N349 PolarHBondContact O-ND2 2.97Å
163	L	87.2	Confident	85.6	Confident	15 Å²	15	58.7 Å²	58.7	8%	0.079	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	108.4	174.2	174.1	60	0	0	0	110.8	T117 L119 Y165 A182 K183 L345	T117-L163 WeakPolarHBondContact O-CD2 3.37Å; T117-L163 WeakPolarHBondContact OG1-CD1 3.47Å; T117-L163 WeakPolarHBondContact OG1-CD2 3.44Å; L119-L163 HydrophobicContact CB-CB 4.19Å; L119-L163 HydrophobicContact CB-CD2 4.08Å; L119-L163 HydrophobicContact CD2-CB 4.14Å; L163-Y165 PolarHBondContact O-N 3.21Å; L163-A182 CarbonylContact O-C 3.36Å; L163-A182 VanDerWaalsContact O-CA 3.3Å; L163-A182 WeakPolarHBondContact O-CA 3.48Å; L163-K183 PolarHBondContact N-O 3.14Å; L163-K183 PolarHBondContact O-N 2.86Å; L163-L345 HydrophobicContact CB-CD2 4.43Å; L163-L345 HydrophobicContact CD1-CD1 4.16Å
164	P	85.4	Confident	84.6	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.019	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	128.2	159.8	-19.5	34.6	0	0	0	109.5	Y141 W144 Y162 F179 A182	Y141-P164 HydrophobicContact CD1-CG 3.77Å; Y141-P164 HydrophobicContact CE1-CB 4.41Å; Y141-P164 HydrophobicContact CE1-CG 3.75Å; Y141-P164 HydrophobicContact CG-CG 4.35Å; W144-P164 HydrophobicContact CB-CG 4.01Å; W144-P164 HydrophobicContact CG-CG 4.29Å; Y162-P164 HydrophobicContact CD2-CG 4.11Å; Y162-P164 HydrophobicContact CE2-CG 3.84Å; P164-F179 HydrophobicContact CB-CB 3.81Å; P164-F179 HydrophobicContact CB-CD1 3.54Å; P164-F179 HydrophobicContact CB-CD2 3.66Å; P164-F179 HydrophobicContact CB-CE1 4Å; P164-F179 HydrophobicContact CB-CE2 4.15Å; P164-F179 HydrophobicContact CB-CG 3.36Å; P164-F179 HydrophobicContact CB-CZ 4.3Å; P164-A182 HydrophobicContact CB-CB 4.47Å; P164-A182 HydrophobicContact CG-CB 4.47Å
165	Y	83.6	Confident	83.4	Confident	91 Å²	91	54.1 Å²	54.1	36%	0.357	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	-19.7	-169.8	79.8	-86.5	0	0	0	115.6	L163 P167 A181 K183	L163-Y165 PolarHBondContact O-N 3.21Å; Y165-P167 VanDerWaalsContact O-CD 3.31Å; Y165-P167 WeakPolarHBondContact O-CD 3.27Å; Y165-A181 HydrophobicContact CD1-CB 4.4Å; Y165-A181 WeakPolarHBondContact CD1-O 3.47Å; Y165-A181 HydrophobicContact CE1-CB 3.66Å; Y165-A181 PolarHBondContact N-O 3.34Å; Y165-K183 HydrophobicContact CD1-CD 4.18Å; Y165-K183 HydrophobicContact CD1-CG 3.74Å; Y165-K183 HydrophobicContact CE1-CD 4.26Å; Y165-K183 HydrophobicContact CE1-CG 3.67Å
166	K	85	Confident	82.2	Confident	89 Å²	89	48.8 Å²	48.8	39%	0.387	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	95.9	175.2	-174.4	180	-179.2	-178.6	0	108.6	F179 A180 A181	K166-F179 CarbonylContact O-C 3.56Å; K166-F179 VanDerWaalsContact O-CA 3.24Å; K166-F179 WeakPolarHBondContact O-CA 2.84Å; K166-A180 HydrophobicContact CD-CB 4.35Å; K166-A180 PolarHBondContact O-N 2.68Å; K166-A181 HydrophobicContact CB-CB 3.89Å; K166-A181 HydrophobicContact CD-CB 4.42Å; K166-A181 PolarHBondContact N-O 3.23Å
167	P	83.9	Confident	81.4	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.058	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	154.3	179.3	29.7	-36.4	0	0	0	111.1	V72 I109 Y165 Y178 F179	V72-P167 HydrophobicContact CB-CG 4.35Å; V72-P167 HydrophobicContact CG1-CG 4.16Å; I109-P167 HydrophobicContact CD1-CB 3.84Å; I109-P167 HydrophobicContact CD1-CG 4.22Å; Y165-P167 VanDerWaalsContact O-CD 3.31Å; Y165-P167 WeakPolarHBondContact O-CD 3.27Å; P167-Y178 CarbonylContact C-O 3.59Å; P167-Y178 WeakPolarHBondContact CA-O 3.41Å; P167-F179 HydrophobicContact CB-CD1 4.45Å; P167-F179 HydrophobicContact CB-CE1 4.38Å
168	C	87.2	Confident	81.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	173.2	176.9	62.5	0	0	0	0	110	L21 Y136 C138 Y178 F179 A180	L21-C168 WeakPolarHBondContact CD1-O 3.33Å; Y136-C168 HydrophobicContact CE2-CB 4.25Å; C138-C168 WeakPolarHBondContact CA-SG 3.4Å; C138-C168 HydrophobicContact CB-CB 4.11Å; C138-C168 WeakPolarHBondContact CB-SG 3.12Å; C138-C168 VanDerWaalsContact SG-C 3.53Å; C138-C168 WeakPolarHBondContact SG-CB 3.37Å; C138-C168 CovalentContact SG-SG 2.03Å; C138-C168 PolarHBondContact SG-SG 2.98Å; C168-Y178 PolarHBondContact N-O 3.16Å; C168-Y178 VanDerWaalsContact SG-C 3.52Å; C168-F179 VanDerWaalsContact SG-CA 3.52Å; C168-F179 PolarHBondContact SG-N 3.33Å; C168-F179 VanDerWaalsContact SG-N 3.38Å; C168-A180 HydrophobicContact CB-CB 4.02Å; C168-A180 PolarHBondContact SG-N 2.67Å
169	I	83.7	Confident	81.1	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.3	179.1	-50.5	-176.7	0	0	0	109.1	L21 S23 W40 I77 P107 I109 Y136 C138 F174	L21-I169 HydrophobicContact CD1-CG1 4.39Å; S23-I169 WeakPolarHBondContact OG-CD1 3.38Å; W40-I169 HydrophobicContact CH2-CD1 4.28Å; W40-I169 HydrophobicContact CZ2-CD1 4.05Å; I77-I169 HydrophobicContact CD1-CB 4.09Å; I77-I169 HydrophobicContact CD1-CD1 4.33Å; I77-I169 HydrophobicContact CD1-CG2 3.93Å; P107-I169 HydrophobicContact CB-CD1 3.58Å; P107-I169 HydrophobicContact CG-CD1 3.65Å; P107-I169 HydrophobicContact CG-CG1 4.34Å; I109-I169 HydrophobicContact CD1-CG1 4.07Å; I109-I169 HydrophobicContact CG1-CD1 4.46Å; I109-I169 HydrophobicContact CG1-CG1 4.2Å; Y136-I169 PolarHBondContact OH-O 3.03Å; C138-I169 PolarHBondContact SG-O 3.15Å; C138-I169 VanDerWaalsContact SG-O 3.38Å; I169-F174 HydrophobicContact CG2-CD1 3.56Å; I169-F174 HydrophobicContact CG2-CE1 3.66Å
170	S	83.3	Confident	81.1	Confident	13 Å²	13	39.5 Å²	39.5	9%	0.091	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.3	169.6	174.7	0	0	0	0	109.7	K172 D173 F174 Y178	S170-K172 PolarHBondContact O-N 2.83Å; S170-K172 VanDerWaalsContact O-N 3.1Å; S170-K172 PolarHBondContact OG-N 3.17Å; S170-D173 PolarHBondContact O-N 3.21Å; S170-F174 WeakPolarHBondContact O-CD1 3.22Å; S170-F174 WeakPolarHBondContact O-CE1 2.93Å; S170-Y178 VanDerWaalsContact CB-CD2 3.42Å
171	E	77.6	Confident	81.3	Confident	93 Å²	93	37.8 Å²	37.8	44%	0.435	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.2	173	-66.2	178.8	-171.4	0	0	113.5	I77 D78 R102	I77-E171 HydrophobicContact CB-CG 3.97Å; I77-E171 HydrophobicContact CG2-CG 4.18Å; D78-E171 PolarHBondContact N-OE1 2.91Å; R102-E171 IonicContact NH1-OE2 2.92Å
172	K	76.3	Confident	81.6	Confident	192 Å²	192	37.4 Å²	37.4	84%	0.835	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-24.6	-173.9	-60.4	173.7	-174.8	168.2	0	113.8	S170	S170-K172 PolarHBondContact O-N 2.83Å; S170-K172 VanDerWaalsContact O-N 3.1Å; S170-K172 PolarHBondContact OG-N 3.17Å
173	D	73.7	Confident	81.7	Confident	11 Å²	11	40.4 Å²	40.4	6%	0.059	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	122.6	176.9	-179.5	49.9	0	0	0	110.8	S170 R175 S176 Y178	S170-D173 PolarHBondContact O-N 3.21Å; D173-R175 IonicContact OD1-CZ 3.54Å; D173-R175 VanDerWaalsContact OD1-CZ 3.32Å; D173-R175 PolarHBondContact OD1-N 3.42Å; D173-R175 IonicContact OD1-NE 2.85Å; D173-R175 PolarHBondContact OD1-NE 2.82Å; D173-R175 IonicContact OD1-NH2 2.69Å; D173-R175 PolarHBondContact OD1-NH2 2.95Å; D173-S176 WeakPolarHBondContact OD2-CB 3.35Å; D173-S176 PolarHBondContact OD2-N 3.18Å; D173-S176 PolarHBondContact OD2-OG 3.04Å; D173-Y178 HydrophobicContact CB-CE2 4.29Å; D173-Y178 WeakPolarHBondContact O-CE2 3.4Å
174	F	71.3	Confident	81.9	Confident	40 Å²	40	39.7 Å²	39.7	18%	0.175	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-6	179.1	-58.7	-50	0	0	0	113.6	S20 L21 L35 I169 S170	S20-F174 WeakPolarHBondContact CA-O 3.22Å; L21-F174 PolarHBondContact N-O 3.48Å; L21-F174 VanDerWaalsContact N-O 3.11Å; L35-F174 HydrophobicContact CD1-CD2 4.28Å; L35-F174 HydrophobicContact CD1-CG 4.34Å; L35-F174 HydrophobicContact CD2-CB 4.19Å; L35-F174 HydrophobicContact CD2-CD1 3.99Å; L35-F174 HydrophobicContact CD2-CG 4.08Å; I169-F174 HydrophobicContact CG2-CD1 3.56Å; I169-F174 HydrophobicContact CG2-CE1 3.66Å; S170-F174 WeakPolarHBondContact O-CD1 3.22Å; S170-F174 WeakPolarHBondContact O-CE1 2.93Å
175	R	66.2	Low	82.1	Confident	125 Å²	125	39.5 Å²	39.5	47%	0.472	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-33.1	-177.3	-65.9	164.6	-67.4	-131.3	-4.1	113.2	D173	D173-R175 IonicContact OD1-CZ 3.54Å; D173-R175 VanDerWaalsContact OD1-CZ 3.32Å; D173-R175 PolarHBondContact OD1-N 3.42Å; D173-R175 IonicContact OD1-NE 2.85Å; D173-R175 PolarHBondContact OD1-NE 2.82Å; D173-R175 IonicContact OD1-NH2 2.69Å; D173-R175 PolarHBondContact OD1-NH2 2.95Å
176	S	67.6	Low	82.5	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	154.2	176.7	-52.1	0	0	0	0	112	D173 Y178 N360	D173-S176 WeakPolarHBondContact OD2-CB 3.35Å; D173-S176 PolarHBondContact OD2-N 3.18Å; D173-S176 PolarHBondContact OD2-OG 3.04Å; S176-Y178 WeakPolarHBondContact O-CD2 3.17Å; S176-N360 PolarHBondContact OG-ND2 2.93Å; S176-N360 VanDerWaalsContact OG-ND2 3.07Å
177	M	73.5	Confident	82.6	Confident	39 Å²	39	31.6 Å²	31.6	19%	0.192	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.6	179.2	-173.9	89.3	72	0	0	110.4	L21 F179	L21-M177 HydrophobicContact CD2-SD 3.65Å; M177-F179 HydrophobicContact CB-CE2 4.21Å; M177-F179 HydrophobicContact CG-CD2 4.48Å; M177-F179 HydrophobicContact CG-CE2 3.37Å; M177-F179 HydrophobicContact CG-CZ 3.41Å; M177-F179 VanDerWaalsContact CG-CZ 3.41Å; M177-F179 HydrophobicContact SD-CZ 4.32Å
178	Y	83.4	Confident	82.6	Confident	28 Å²	28	35.6 Å²	35.6	11%	0.11	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	153.3	-177.6	-70.9	-91.9	0	0	0	112.7	C138 N140 P167 C168 S170 D173 S176	C138-Y178 WeakPolarHBondContact O-CD1 3.15Å; C138-Y178 WeakPolarHBondContact SG-CB 3.48Å; N140-Y178 HydrophobicContact CB-CD1 4.17Å; N140-Y178 HydrophobicContact CB-CE1 4.08Å; P167-Y178 CarbonylContact C-O 3.59Å; P167-Y178 WeakPolarHBondContact CA-O 3.41Å; C168-Y178 PolarHBondContact N-O 3.16Å; C168-Y178 VanDerWaalsContact SG-C 3.52Å; S170-Y178 VanDerWaalsContact CB-CD2 3.42Å; D173-Y178 HydrophobicContact CB-CE2 4.29Å; D173-Y178 WeakPolarHBondContact O-CE2 3.4Å; S176-Y178 WeakPolarHBondContact O-CD2 3.17Å
179	F	87.7	Confident	81.9	Confident	13 Å²	13	38.7 Å²	38.7	6%	0.057	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.8	-177.5	-58.9	-98.6	0	0	0	112.6	E139 Y141 W144 P164 K166 P167 C168 M177	E139-F179 PolarHBondContact N-O 3.48Å; E139-F179 PolarHBondContact O-N 2.79Å; Y141-F179 HydrophobicContact CD2-CD2 4.33Å; Y141-F179 AromaticContact CD2-CE2 3.7Å; Y141-F179 HydrophobicContact CD2-CE2 3.7Å; Y141-F179 HydrophobicContact CD2-CZ 4.49Å; Y141-F179 HydrophobicContact CE2-CD2 4.12Å; Y141-F179 AromaticContact CE2-CE2 3.15Å; Y141-F179 HydrophobicContact CE2-CE2 3.15Å; Y141-F179 AromaticContact CE2-CZ 3.54Å; Y141-F179 HydrophobicContact CE2-CZ 3.54Å; Y141-F179 AromaticContact CZ-CE2 3.83Å; Y141-F179 AromaticContact CZ-CZ 3.83Å; W144-F179 WeakPolarHBondContact CZ2-O 3.46Å; W144-F179 PolarHBondContact NE1-O 2.65Å; P164-F179 HydrophobicContact CB-CB 3.81Å; P164-F179 HydrophobicContact CB-CD1 3.54Å; P164-F179 HydrophobicContact CB-CD2 3.66Å; P164-F179 HydrophobicContact CB-CE1 4Å; P164-F179 HydrophobicContact CB-CE2 4.15Å; P164-F179 HydrophobicContact CB-CG 3.36Å; P164-F179 HydrophobicContact CB-CZ 4.3Å; K166-F179 CarbonylContact O-C 3.56Å; K166-F179 VanDerWaalsContact O-CA 3.24Å; K166-F179 WeakPolarHBondContact O-CA 2.84Å; P167-F179 HydrophobicContact CB-CD1 4.45Å; P167-F179 HydrophobicContact CB-CE1 4.38Å; C168-F179 VanDerWaalsContact SG-CA 3.52Å; C168-F179 PolarHBondContact SG-N 3.33Å; C168-F179 VanDerWaalsContact SG-N 3.38Å; M177-F179 HydrophobicContact CB-CE2 4.21Å; M177-F179 HydrophobicContact CG-CD2 4.48Å; M177-F179 HydrophobicContact CG-CE2 3.37Å; M177-F179 HydrophobicContact CG-CZ 3.41Å; M177-F179 VanDerWaalsContact CG-CZ 3.41Å; M177-F179 HydrophobicContact SD-CZ 4.32Å
180	A	87.9	Confident	80.7	Confident	12 Å²	12	41.1 Å²	41.1	10%	0.099	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-7.5	178.7	0	0	0	0	0	114.1	Y136 V137 K166 C168	Y136-A180 HydrophobicContact CE2-CB 4.21Å; V137-A180 VanDerWaalsContact O-CA 3.24Å; V137-A180 WeakPolarHBondContact O-CA 2.91Å; V137-A180 WeakPolarHBondContact O-CB 3.49Å; K166-A180 HydrophobicContact CD-CB 4.35Å; K166-A180 PolarHBondContact O-N 2.68Å; C168-A180 HydrophobicContact CB-CB 4.02Å; C168-A180 PolarHBondContact SG-N 2.67Å
181	A	88.4	Confident	79.3	Confident	1 Å²	1	47 Å²	47	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	143.1	170.8	0	0	0	0	0	111.5	L130 D131 Y165 K166	L130-A181 WeakPolarHBondContact O-CA 3.09Å; D131-A181 HydrophobicContact CB-CB 3.89Å; Y165-A181 HydrophobicContact CD1-CB 4.4Å; Y165-A181 WeakPolarHBondContact CD1-O 3.47Å; Y165-A181 HydrophobicContact CE1-CB 3.66Å; Y165-A181 PolarHBondContact N-O 3.34Å; K166-A181 HydrophobicContact CB-CB 3.89Å; K166-A181 HydrophobicContact CD-CB 4.42Å; K166-A181 PolarHBondContact N-O 3.23Å
182	A	90.9	Very high	77.9	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	156.7	168.9	0	0	0	0	0	111	S129 L130 W144 T148 L163 P164	S129-A182 CarbonylContact C-O 3.58Å; L130-A182 PolarHBondContact N-O 2.82Å; L130-A182 PolarHBondContact O-N 3Å; L130-A182 VanDerWaalsContact O-N 3.14Å; W144-A182 HydrophobicContact CB-CB 4.3Å; W144-A182 HydrophobicContact CD2-CB 3.73Å; W144-A182 HydrophobicContact CE3-CB 3.44Å; W144-A182 VanDerWaalsContact CE3-CB 3.44Å; W144-A182 HydrophobicContact CG-CB 4.11Å; W144-A182 HydrophobicContact CZ3-CB 4.03Å; T148-A182 HydrophobicContact CG2-CB 4.18Å; L163-A182 CarbonylContact O-C 3.36Å; L163-A182 VanDerWaalsContact O-CA 3.3Å; L163-A182 WeakPolarHBondContact O-CA 3.48Å; P164-A182 HydrophobicContact CB-CB 4.47Å; P164-A182 HydrophobicContact CG-CB 4.47Å
183	K	91.2	Very high	76.4	Confident	72 Å²	72	39.6 Å²	39.6	31%	0.313	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	145.5	164.3	-68.5	172.3	-174.8	177.4	0	109	L119 L127 S128 Y162 L163 Y165	L119-K183 HydrophobicContact CD2-CB 3.42Å; L119-K183 VanDerWaalsContact CD2-CB 3.42Å; L127-K183 HydrophobicContact CD1-CB 4.09Å; S128-K183 WeakPolarHBondContact O-CA 3.22Å; Y162-K183 CarbonylContact C-O 3.58Å; Y162-K183 VanDerWaalsContact CA-O 3.27Å; Y162-K183 WeakPolarHBondContact CA-O 3.24Å; L163-K183 PolarHBondContact N-O 3.14Å; L163-K183 PolarHBondContact O-N 2.86Å; Y165-K183 HydrophobicContact CD1-CD 4.18Å; Y165-K183 HydrophobicContact CD1-CG 3.74Å; Y165-K183 HydrophobicContact CE1-CD 4.26Å; Y165-K183 HydrophobicContact CE1-CG 3.67Å
184	V	91.7	Very high	75	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	142.9	178	63.5	0	0	0	0	110.6	S128 L130 T148 C152 F159	S128-V184 PolarHBondContact N-O 3.06Å; S128-V184 PolarHBondContact O-N 3.32Å; S128-V184 WeakPolarHBondContact OG-CG1 3.44Å; L130-V184 HydrophobicContact CD1-CG1 4.11Å; L130-V184 HydrophobicContact CD2-CG1 4.48Å; L130-V184 HydrophobicContact CG-CG1 4Å; T148-V184 HydrophobicContact CG2-CB 4.07Å; T148-V184 HydrophobicContact CG2-CG2 4.38Å; C152-V184 VanDerWaalsContact SG-CG2 3.52Å; F159-V184 HydrophobicContact CD2-CG2 4.15Å; F159-V184 HydrophobicContact CE2-CG2 4.25Å
185	V	89.4	Confident	73.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.6	168.5	179.3	0	0	0	0	108.6	L119 T121 C125 Q126 L127 Q160 S161	L119-V185 HydrophobicContact CD1-CG2 3.91Å; L119-V185 HydrophobicContact CD2-CG2 4.02Å; L119-V185 HydrophobicContact CG-CG2 3.82Å; T121-V185 HydrophobicContact CG2-CG1 4.33Å; C125-V185 HydrophobicContact CB-CG1 3.69Å; Q126-V185 WeakPolarHBondContact O-CA 3.44Å; L127-V185 HydrophobicContact CD1-CG2 4.04Å; Q160-V185 HydrophobicContact CB-CB 4.45Å; Q160-V185 HydrophobicContact CB-CG1 4.12Å; Q160-V185 HydrophobicContact CG-CG1 4.31Å; Q160-V185 PolarHBondContact N-O 2.95Å; S161-V185 PolarHBondContact O-N 3.03Å
186	C	92.1	Very high	72.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132	172	-50.7	0	0	0	0	109	C125 Q126 C152 M157 R158	C125-C186 CarbonylContact C-O 3.51Å; C125-C186 WeakPolarHBondContact CA-O 3.47Å; Q126-C186 PolarHBondContact N-O 3.08Å; Q126-C186 PolarHBondContact O-N 3.27Å; C152-C186 WeakPolarHBondContact CA-SG 3.44Å; C152-C186 HydrophobicContact CB-CB 3.81Å; C152-C186 WeakPolarHBondContact CB-SG 3.44Å; C152-C186 VanDerWaalsContact SG-CA 3.58Å; C152-C186 WeakPolarHBondContact SG-CB 3.2Å; C152-C186 CovalentContact SG-SG 2.04Å; C152-C186 PolarHBondContact SG-SG 3.31Å; M157-C186 HydrophobicContact CB-CB 3.76Å; M157-C186 HydrophobicContact CE-CB 4.35Å; M157-C186 WeakPolarHBondContact CE-O 3.43Å; R158-C186 CarbonylContact O-C 3.58Å; R158-C186 WeakPolarHBondContact O-CA 3.46Å
187	C	87.5	Confident	70.6	Confident	13 Å²	13	49.8 Å²	49.8	9%	0.088	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	149.4	179.5	-60.1	0	0	0	0	111.5	C125 R158 Q160	C125-C187 HydrophobicContact CB-CB 3.95Å; C125-C187 WeakPolarHBondContact CB-SG 3.49Å; C125-C187 WeakPolarHBondContact SG-CB 3.11Å; C125-C187 CovalentContact SG-SG 2.04Å; C125-C187 PolarHBondContact SG-SG 2.97Å; R158-C187 PolarHBondContact N-O 3.24Å; R158-C187 PolarHBondContact O-N 2.79Å; Q160-C187 VanDerWaalsContact CB-SG 3.54Å
188	K	84.5	Confident	68.6	Low	94 Å²	94	51.5 Å²	51.5	41%	0.409	29%	0.288	S	S	.	.			trans	-60.3	145.7	168.4	-75	-168.2	171.5	-159.9	0	110.8	G124 M157 L190 D193	G124-K188 PolarHBondContact O-N 3.48Å; G124-K188 VanDerWaalsContact O-N 3.14Å; M157-K188 HydrophobicContact CE-CG 4.14Å; M157-K188 HydrophobicContact SD-CB 4.36Å; M157-K188 HydrophobicContact SD-CG 3.87Å; K188-L190 PolarHBondContact O-N 2.75Å; K188-D193 VanDerWaalsContact CD-OD2 3.28Å; K188-D193 WeakPolarHBondContact CD-OD2 3.4Å; K188-D193 IonicContact NZ-OD1 2.7Å; K188-D193 IonicContact NZ-OD2 3.32Å; K188-D193 PolarHBondContact NZ-OD2 3.26Å
189	N	71.3	Confident	66.1	Low	65 Å²	65	52.8 Å²	52.8	35%	0.348	30%	0.304	S	S	.	.			trans	-71.5	111.3	166.2	-70.2	-43.5	0	0	0	108.2	N156 R158 D191 S192	N156-N189 PolarHBondContact O-ND2 3.13Å; R158-N189 WeakPolarHBondContact CB-OD1 3.26Å; N189-D191 PolarHBondContact O-N 3Å; N189-D191 VanDerWaalsContact O-N 3.11Å; N189-S192 PolarHBondContact O-N 3.45Å; N189-S192 PolarHBondContact O-OG 2.9Å; N189-S192 VanDerWaalsContact O-OG 3.13Å
190	L	60.1	Low	63.6	Low	51 Å²	51	56.8 Å²	56.8	27%	0.267	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.6	-168	-61.6	-169.3	0	0	0	114	K188 S192 D193 F194 S244	K188-L190 PolarHBondContact O-N 2.75Å; L190-S192 PolarHBondContact O-N 2.81Å; L190-D193 PolarHBondContact O-N 2.8Å; L190-F194 HydrophobicContact CB-CD2 3.97Å; L190-F194 HydrophobicContact CD1-CD2 4.12Å; L190-F194 HydrophobicContact CD1-CE2 4.02Å; L190-F194 HydrophobicContact CD2-CD2 3.97Å; L190-F194 HydrophobicContact CD2-CE2 3.9Å; L190-F194 HydrophobicContact CG-CD2 4.23Å; L190-F194 HydrophobicContact CG-CE2 4.39Å; L190-F194 PolarHBondContact O-N 2.83Å; L190-S244 WeakPolarHBondContact CD1-O 3.32Å
191	D	52.9	Low	61	Low	138 Å²	138	60 Å²	60	74%	0.738	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.9	177.1	-50.2	-39.6	0	0	0	113.1	N189	N189-D191 PolarHBondContact O-N 3Å; N189-D191 VanDerWaalsContact O-N 3.11Å
192	S	47.9	Very low	58.1	Low	71 Å²	71	67.4 Å²	67.4	50%	0.497	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-36.3	175.6	65.6	0	0	0	0	114.5	N189 L190	N189-S192 PolarHBondContact O-N 3.45Å; N189-S192 PolarHBondContact O-OG 2.9Å; N189-S192 VanDerWaalsContact O-OG 3.13Å; L190-S192 PolarHBondContact O-N 2.81Å
193	D	45.2	Very low	55.1	Low	57 Å²	57	72.8 Å²	72.8	31%	0.305	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-29.2	-161.3	-77.3	32.2	0	0	0	113.5	K188 L190 T195 N196 S197	K188-D193 VanDerWaalsContact CD-OD2 3.28Å; K188-D193 WeakPolarHBondContact CD-OD2 3.4Å; K188-D193 IonicContact NZ-OD1 2.7Å; K188-D193 IonicContact NZ-OD2 3.32Å; K188-D193 PolarHBondContact NZ-OD2 3.26Å; L190-D193 PolarHBondContact O-N 2.8Å; D193-T195 VanDerWaalsContact C-N 3.29Å; D193-T195 PolarHBondContact O-N 3.36Å; D193-N196 PolarHBondContact O-N 2.83Å; D193-S197 WeakPolarHBondContact O-CB 3.34Å; D193-S197 PolarHBondContact O-N 3.39Å
194	F	44.7	Very low	52	Low	87 Å²	87	77.9 Å²	77.9	38%	0.382	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.8	-172.9	-98.9	-78.5	0	0	0	115.3	L190 N196	L190-F194 HydrophobicContact CB-CD2 3.97Å; L190-F194 HydrophobicContact CD1-CD2 4.12Å; L190-F194 HydrophobicContact CD1-CE2 4.02Å; L190-F194 HydrophobicContact CD2-CD2 3.97Å; L190-F194 HydrophobicContact CD2-CE2 3.9Å; L190-F194 HydrophobicContact CG-CD2 4.23Å; L190-F194 HydrophobicContact CG-CE2 4.39Å; L190-F194 PolarHBondContact O-N 2.83Å; F194-N196 PolarHBondContact O-N 3.35Å
195	T	38.8	Very low	49	Very low	114 Å²	114	84.3 Å²	84.3	70%	0.699	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-27.2	165.2	48.7	0	0	0	0	112.5	D193	D193-T195 VanDerWaalsContact C-N 3.29Å; D193-T195 PolarHBondContact O-N 3.36Å
196	N	37.6	Very low	46	Very low	143 Å²	143	91.5 Å²	91.5	77%	0.765	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-26.5	175.1	-67.4	-51.8	0	0	0	112.7	D193 F194 A198	D193-N196 PolarHBondContact O-N 2.83Å; F194-N196 PolarHBondContact O-N 3.35Å; N196-A198 VanDerWaalsContact C-N 3.28Å; N196-A198 PolarHBondContact O-N 2.79Å
197	S	35.7	Very low	42.9	Very low	47 Å²	47	97.6 Å²	97.6	33%	0.329	56%	0.557	S	S	.	*			trans	-88.2	28.5	-176.9	-160.7	0	0	0	0	114.9	D193 A199	D193-S197 WeakPolarHBondContact O-CB 3.34Å; D193-S197 PolarHBondContact O-N 3.39Å; S197-A199 PolarHBondContact O-N 2.85Å
198	A	32.3	Very low	39.8	Very low	76 Å²	76	100.1 Å²	100.1	63%	0.628	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	46	157.1	0	0	0	0	0	111.4	N196	N196-A198 VanDerWaalsContact C-N 3.28Å; N196-A198 PolarHBondContact O-N 2.79Å
199	A	31.1	Very low	37.1	Very low	54 Å²	54	102.9 Å²	102.9	45%	0.446	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.3	-12.6	-178.2	0	0	0	0	0	112.3	S197 M201 K202	S197-A199 PolarHBondContact O-N 2.85Å; A199-M201 PolarHBondContact O-N 3.22Å; A199-K202 PolarHBondContact O-N 2.87Å
200	V	35.1	Very low	35.1	Very low	97 Å²	97	109.3 Å²	109.3	59%	0.588	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	127.6	155.1	-172.7	0	0	0	0	106.2
201	M	32.7	Very low	33.3	Very low	79 Å²	79	113.4 Å²	113.4	39%	0.389	66%	0.656	S	S	.	*	T	Hydrogen-bonded Turn	trans	67	40.2	-166.4	-55.7	-178	165.3	0	0	116.6	A199 D328	A199-M201 PolarHBondContact O-N 3.22Å; M201-D328 WeakPolarHBondContact CE-OD1 3.39Å; M201-D328 WeakPolarHBondContact CE-OD2 3.29Å
202	K	28.4	Very low	32.2	Very low	158 Å²	158	112.6 Å²	112.6	69%	0.687	66%	0.662	S	S	*	*			trans	-90.4	116.2	148.7	-79.8	-175.3	178.4	176.9	0	109.8	A199	A199-K202 PolarHBondContact O-N 2.87Å
203	P	27.2	Very low	30.9	Very low	113 Å²	113	114.3 Å²	114.3	73%	0.734	67%	0.674	S	S	*	*			trans	-56.8	146.7	172.2	-24.7	34.8	0	0	0	111.4	T205	P203-T205 PolarHBondContact O-N 3.48Å
204	L	26.5	Very low	29.9	Very low	179 Å²	179	120.3 Å²	120.3	94%	0.937	70%	0.702	S	S	*	*			trans	-68.6	100.7	175.2	-71.3	167.4	0	0	0	109.8	D206	L204-D206 PolarHBondContact O-N 3.48Å
205	T	27.4	Very low	29	Very low	135 Å²	135	121.4 Å²	121.4	83%	0.828	72%	0.721	S	S	*	*			trans	-69.1	120.2	174.2	-30.2	0	0	0	0	109.9	P203 P207	P203-T205 PolarHBondContact O-N 3.48Å; T205-P207 WeakPolarHBondContact O-CD 3.47Å
206	D	27.3	Very low	28.3	Very low	150 Å²	150	125 Å²	125	80%	0.802	73%	0.729	S	S	*	*			trans	-66.4	116.8	-168.4	-161.1	-4.2	0	0	0	112.6	L204 G208	L204-D206 PolarHBondContact O-N 3.48Å; D206-G208 VanDerWaalsContact C-N 3.34Å; D206-G208 PolarHBondContact O-N 3.28Å
207	P	25.8	Very low	27.8	Very low	129 Å²	129	127.4 Å²	127.4	84%	0.838	73%	0.733	S	S	*	*			trans	-86.3	60.7	-167.1	35.6	-37.8	0	0	0	113.3	T205	T205-P207 WeakPolarHBondContact O-CD 3.47Å
208	G	23.9	Very low	27.3	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	76%	0.757	S	S	*	*			trans	-169.1	73.8	-176.4	0	0	0	0	0	119.4	D206	D206-G208 VanDerWaalsContact C-N 3.34Å; D206-G208 PolarHBondContact O-N 3.28Å
209	N	27.6	Very low	27	Very low	152 Å²	152	133 Å²	133	81%	0.813	76%	0.764	S	S	*	*			trans	-152.2	84.7	149.8	-149.7	-22.8	0	0	0	114.5	T211	N209-T211 PolarHBondContact O-N 2.81Å
210	K	29.3	Very low	26.9	Very low	200 Å²	200	142.4 Å²	142.4	87%	0.87	79%	0.788	S	S	*	*			trans	-88.5	90.2	165.3	-79.6	-170.1	176.6	-178.4	0	110.3	S212	K210-S212 PolarHBondContact O-N 2.86Å
211	T	22.6	Very low	26.5	Very low	137 Å²	137	145.8 Å²	145.8	84%	0.84	80%	0.802	S	S	*	*			trans	31.8	85.6	147.6	55.6	0	0	0	0	116.4	N209	N209-T211 PolarHBondContact O-N 2.81Å
212	S	28.3	Very low	26.2	Very low	121 Å²	121	145 Å²	145	85%	0.846	82%	0.815	S	S	*	*			trans	-120.3	116.8	160.2	-175.3	0	0	0	0	108.4	K210	K210-S212 PolarHBondContact O-N 2.86Å
213	S	22	Very low	26	Very low	107 Å²	107	145.7 Å²	145.7	75%	0.748	83%	0.826	S	S	*	*			trans	-93.3	125.2	-170.1	44.7	0	0	0	0	112.4
214	M	24.5	Very low	25.9	Very low	183 Å²	183	149.9 Å²	149.9	90%	0.901	83%	0.832	S	S	*	*			trans	-160.8	139.5	156	-144.7	67.3	71.9	0	0	113.4
215	S	24.5	Very low	25.8	Very low	111 Å²	111	148.3 Å²	148.3	78%	0.776	82%	0.824	S	S	*	*			trans	62.1	123.1	158.8	-153.8	0	0	0	0	120.7
216	H	24.7	Very low	25.8	Very low	188 Å²	188	148.4 Å²	148.4	87%	0.87	83%	0.825	S	S	*	*			trans	-65.3	144.3	178.6	-55.8	-98.7	0	0	0	114.8
217	K	26.8	Very low	25.7	Very low	194 Å²	194	147.4 Å²	147.4	84%	0.843	82%	0.824	S	S	*	*			trans	-148.6	129.8	138.9	-150	173.2	-173.7	-178.1	0	109.6	S219	K217-S219 PolarHBondContact O-N 2.86Å
218	P	25.1	Very low	25.9	Very low	128 Å²	128	145.7 Å²	145.7	83%	0.831	81%	0.812	S	S	*	*			trans	-81.7	98.9	-171	30.7	-34.5	0	0	0	112.4	R220	P218-R220 PolarHBondContact O-N 3.49Å
219	S	27.4	Very low	26.4	Very low	113 Å²	113	146.9 Å²	146.9	79%	0.79	80%	0.8	S	S	*	*			trans	-73.9	111.7	167.4	35.7	0	0	0	0	110.6	K217 L221	K217-S219 PolarHBondContact O-N 2.86Å; S219-L221 VanDerWaalsContact C-N 3.26Å; S219-L221 PolarHBondContact O-N 3.22Å
220	R	27.7	Very low	26.8	Very low	252 Å²	252	147.9 Å²	147.9	95%	0.951	81%	0.805	S	S	*	*			trans	-81.7	62.9	-179.1	-168	-161.1	-87.5	-166.2	-5.3	111.8	P218	P218-R220 PolarHBondContact O-N 3.49Å
221	L	27.8	Very low	26.9	Very low	167 Å²	167	141.8 Å²	141.8	87%	0.874	80%	0.799	S	S	*	*			trans	-143.6	91	168.8	-165.1	66.8	0	0	0	110.5	S219	S219-L221 VanDerWaalsContact C-N 3.26Å; S219-L221 PolarHBondContact O-N 3.22Å
222	G	24.9	Very low	27.7	Very low	64 Å²	64	139.9 Å²	139.9	66%	0.66	78%	0.782	S	S	*	*			trans	-95.1	123.3	-170.9	0	0	0	0	0	114.6	K224	G222-K224 PolarHBondContact O-N 3.47Å
223	N	25.7	Very low	28.6	Very low	172 Å²	172	138.4 Å²	138.4	92%	0.92	76%	0.758	S	S	*	*	S	Bend	trans	56.2	55.6	138.7	-55.1	-5.9	0	0	0	118.3
224	K	25.2	Very low	29.8	Very low	200 Å²	200	139.2 Å²	139.2	87%	0.87	76%	0.755	S	S	*	*			trans	-139.7	11.2	165.6	-142.2	-177.1	178.3	-177.1	0	117.1	G222	G222-K224 PolarHBondContact O-N 3.47Å
225	L	24.4	Very low	31.5	Very low	147 Å²	147	131.7 Å²	131.7	77%	0.77	72%	0.72	S	S	*	*			trans	-130.9	72.3	-173.3	-163.9	73.2	0	0	0	113
226	T	26	Very low	33.4	Very low	136 Å²	136	128.7 Å²	128.7	83%	0.834	70%	0.695	S	S	*	*	S	Bend	trans	-140.1	-3	178	52.7	0	0	0	0	115.9
227	T	25.9	Very low	35.9	Very low	129 Å²	129	127 Å²	127	79%	0.791	69%	0.685	S	S	*	*	S	Bend	trans	-127.9	-2.1	-164.6	41.9	0	0	0	0	117.6
228	T	29.3	Very low	38.4	Very low	94 Å²	94	120.4 Å²	120.4	58%	0.577	66%	0.661	S	S	*	*	S	Bend	trans	-125.4	-17.8	-171.3	-8.5	0	0	0	0	117	N230	T228-N230 PolarHBondContact O-N 3.29Å
229	E	35	Very low	41.1	Very low	89 Å²	89	114.8 Å²	114.8	42%	0.416	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-78	-21.7	-171.1	-165.2	137.8	-111.7	0	0	114.2	G231 K283	E229-G231 PolarHBondContact O-N 2.86Å; E229-K283 IonicContact OE1-NZ 2.92Å; E229-K283 PolarHBondContact OE1-NZ 2.86Å
230	N	35.1	Very low	43.6	Very low	174 Å²	174	112.9 Å²	112.9	93%	0.93	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-74.5	-5.4	177.8	-68.4	-5.1	0	0	0	114.4	T228	T228-N230 PolarHBondContact O-N 3.29Å
231	G	32.7	Very low	46.1	Very low	71 Å²	71	102.9 Å²	102.9	73%	0.732	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-114.6	4.8	-166.3	0	0	0	0	0	117	E229	E229-G231 PolarHBondContact O-N 2.86Å
232	I	37.8	Very low	48.8	Very low	97 Å²	97	95 Å²	95	50%	0.497	53%	0.529	S	S	.	.	S	Bend	trans	-112.4	-16	-166.6	-69.9	171.3	0	0	0	113.5	D234	I232-D234 PolarHBondContact O-N 3.5Å
233	W	47.5	Very low	51.4	Low	90 Å²	90	94.1 Å²	94.1	34%	0.341	51%	0.509	S	S	.	.			trans	-103.4	56.5	-171.5	-46.9	119.3	0	0	0	112.8	S235 R276 A279	W233-S235 PolarHBondContact O-N 3.24Å; W233-R276 HydrophobicContact CE3-CG 3.8Å; W233-R276 HydrophobicContact CZ3-CB 4.18Å; W233-R276 HydrophobicContact CZ3-CG 3.78Å; W233-A279 HydrophobicContact CH2-CB 4.08Å; W233-A279 HydrophobicContact CZ3-CB 4.18Å
234	D	48.8	Very low	53.8	Low	125 Å²	125	86.8 Å²	86.8	67%	0.668	47%	0.471	S	S	*	.			trans	-62.5	106.4	167.6	-171.6	33.1	0	0	0	109	I232	I232-D234 PolarHBondContact O-N 3.5Å
235	S	58.3	Low	56.2	Low	24 Å²	24	81.6 Å²	81.6	17%	0.168	45%	0.448	C	S	.	.			trans	-58	131.8	174.4	51.1	0	0	0	0	109.7	W233 K237 I240	W233-S235 PolarHBondContact O-N 3.24Å; S235-K237 PolarHBondContact O-N 2.85Å; S235-K237 VanDerWaalsContact O-N 3.11Å; S235-I240 WeakPolarHBondContact OG-CD1 3.49Å; S235-I240 VanDerWaalsContact OG-CG1 3.28Å; S235-I240 WeakPolarHBondContact OG-CG1 3.27Å
236	D	66.1	Low	58.3	Low	48 Å²	48	76.8 Å²	76.8	26%	0.257	43%	0.425	S	S	.	.			trans	-51.9	124.7	-171.6	-166.2	-63.9	0	0	0	111.5	T238 V239 I240 A268 D272	D236-T238 PolarHBondContact O-N 3.45Å; D236-T238 WeakPolarHBondContact OD1-CA 3.4Å; D236-T238 WeakPolarHBondContact OD1-CB 3.41Å; D236-T238 PolarHBondContact OD1-N 3.37Å; D236-T238 PolarHBondContact OD1-OG1 3.5Å; D236-V239 HydrophobicContact CB-CG2 4.29Å; D236-V239 WeakPolarHBondContact O-CA 3.31Å; D236-V239 WeakPolarHBondContact O-CB 3.45Å; D236-V239 PolarHBondContact O-N 3.43Å; D236-I240 PolarHBondContact O-N 2.94Å; D236-I240 VanDerWaalsContact O-N 3.08Å; D236-A268 HydrophobicContact CB-CB 4.25Å; D236-D272 HydrophobicContact CB-CB 4.49Å
237	K	77.4	Confident	60.6	Low	153 Å²	153	76.1 Å²	76.1	67%	0.665	41%	0.41	S	S	*	.	H	α-helix	trans	-51.2	-29	-179.5	-175.2	174.5	-179.1	174.9	0	112.3	S235 N241	S235-K237 PolarHBondContact O-N 2.85Å; S235-K237 VanDerWaalsContact O-N 3.11Å; K237-N241 WeakPolarHBondContact O-CB 3.43Å; K237-N241 PolarHBondContact O-N 3.36Å; K237-N241 PolarHBondContact O-ND2 2.88Å; K237-N241 VanDerWaalsContact O-ND2 3.14Å
238	T	78.8	Confident	62.7	Low	55 Å²	55	72.6 Å²	72.6	34%	0.337	39%	0.385	S	S	.	.	H	α-helix	trans	-65	-45.4	173.7	-45.9	0	0	0	0	112	D236 Y242 Q264 A268	D236-T238 PolarHBondContact O-N 3.45Å; D236-T238 WeakPolarHBondContact OD1-CA 3.4Å; D236-T238 WeakPolarHBondContact OD1-CB 3.41Å; D236-T238 PolarHBondContact OD1-N 3.37Å; D236-T238 PolarHBondContact OD1-OG1 3.5Å; T238-Y242 WeakPolarHBondContact O-CB 3.43Å; T238-Y242 PolarHBondContact O-N 2.92Å; T238-Q264 HydrophobicContact CG2-CB 4.26Å; T238-A268 HydrophobicContact CG2-CB 3.98Å
239	V	81.5	Confident	64.8	Low	11 Å²	11	73 Å²	73	7%	0.067	38%	0.384	C	S	.	.	H	α-helix	trans	-66.2	-47.2	176.1	179.7	0	0	0	0	109.9	D236 N241 Y242 L243 A268 L269	D236-V239 HydrophobicContact CB-CG2 4.29Å; D236-V239 WeakPolarHBondContact O-CA 3.31Å; D236-V239 WeakPolarHBondContact O-CB 3.45Å; D236-V239 PolarHBondContact O-N 3.43Å; V239-N241 PolarHBondContact O-N 3.29Å; V239-Y242 WeakPolarHBondContact O-CB 3.36Å; V239-Y242 PolarHBondContact O-N 2.92Å; V239-Y242 VanDerWaalsContact O-N 3.15Å; V239-L243 HydrophobicContact CG1-CD1 3.93Å; V239-L243 HydrophobicContact CG1-CG 4.34Å; V239-L243 VanDerWaalsContact O-CG 3.29Å; V239-L243 WeakPolarHBondContact O-CG 3.45Å; V239-L243 PolarHBondContact O-N 3.34Å; V239-A268 HydrophobicContact CG2-CB 4.04Å; V239-L269 HydrophobicContact CG2-CB 4.11Å
240	I	79.1	Confident	66.4	Low	72 Å²	72	70.7 Å²	70.7	37%	0.369	38%	0.377	S	S	.	.	H	α-helix	trans	-60.8	-46.8	177.3	-63.9	-60.2	0	0	0	111.5	S235 D236 Y242 L243 S244	S235-I240 WeakPolarHBondContact OG-CD1 3.49Å; S235-I240 VanDerWaalsContact OG-CG1 3.28Å; S235-I240 WeakPolarHBondContact OG-CG1 3.27Å; D236-I240 PolarHBondContact O-N 2.94Å; D236-I240 VanDerWaalsContact O-N 3.08Å; I240-Y242 VanDerWaalsContact C-N 3.27Å; I240-Y242 PolarHBondContact O-N 2.97Å; I240-L243 PolarHBondContact O-N 3.13Å; I240-S244 PolarHBondContact O-N 2.71Å; I240-S244 PolarHBondContact O-OG 3.35Å
241	N	81.5	Confident	68.2	Low	43 Å²	43	68.7 Å²	68.7	23%	0.23	38%	0.377	C	S	.	.	H	α-helix	trans	-60.8	-35.3	175	-75.5	-20.8	0	0	0	112.7	K237 V239 F245 R261	K237-N241 WeakPolarHBondContact O-CB 3.43Å; K237-N241 PolarHBondContact O-N 3.36Å; K237-N241 PolarHBondContact O-ND2 2.88Å; K237-N241 VanDerWaalsContact O-ND2 3.14Å; V239-N241 PolarHBondContact O-N 3.29Å; N241-F245 HydrophobicContact CB-CD2 4.19Å; N241-F245 WeakPolarHBondContact O-CB 3.47Å; N241-F245 WeakPolarHBondContact O-CD2 3.42Å; N241-F245 PolarHBondContact O-N 3.5Å; N241-R261 PolarHBondContact O-NH2 3.17Å
242	Y	83.3	Confident	70	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-67.9	-46.3	175.4	175.9	-89.9	0	0	0	111.3	T238 V239 I240 E258 R261 A265 L332 I335 H336 R339	T238-Y242 WeakPolarHBondContact O-CB 3.43Å; T238-Y242 PolarHBondContact O-N 2.92Å; V239-Y242 WeakPolarHBondContact O-CB 3.36Å; V239-Y242 PolarHBondContact O-N 2.92Å; V239-Y242 VanDerWaalsContact O-N 3.15Å; I240-Y242 VanDerWaalsContact C-N 3.27Å; I240-Y242 PolarHBondContact O-N 2.97Å; Y242-E258 WeakPolarHBondContact CE2-OE1 3.49Å; Y242-E258 VanDerWaalsContact CZ-OE1 3.24Å; Y242-E258 PolarHBondContact OH-OE1 3.45Å; Y242-R261 HydrophobicContact CD2-CB 3.88Å; Y242-R261 WeakPolarHBondContact CD2-O 3.39Å; Y242-R261 HydrophobicContact CE2-CB 4.06Å; Y242-A265 HydrophobicContact CD1-CB 4.12Å; Y242-A265 HydrophobicContact CD2-CB 4.03Å; Y242-A265 HydrophobicContact CG-CB 3.6Å; Y242-L332 HydrophobicContact CD1-CD1 3.26Å; Y242-L332 HydrophobicContact CD1-CG 4.32Å; Y242-L332 HydrophobicContact CE1-CD1 3.56Å; Y242-L332 HydrophobicContact CE1-CG 4.16Å; Y242-L332 HydrophobicContact CG-CD1 4.14Å; Y242-I335 HydrophobicContact CE1-CG2 3.97Å; Y242-H336 WeakPolarHBondContact OH-CA 3.27Å; Y242-H336 VanDerWaalsContact OH-CB 3.31Å; Y242-H336 WeakPolarHBondContact OH-CB 3.23Å; Y242-H336 PolarHBondContact OH-N 3.43Å; Y242-R339 VanDerWaalsContact CE2-NH1 3.29Å; Y242-R339 PolarHBondContact O-NH1 3.45Å; Y242-R339 PolarHBondContact O-NH2 2.73Å
243	L	80.1	Confident	71.7	Confident	45 Å²	45	68 Å²	68	24%	0.236	38%	0.377	C	S	.	.	H	α-helix	trans	-65.3	-47	-178.5	-67.8	171.7	0	0	0	111.5	V239 I240 T331 L332 I335 R339	V239-L243 HydrophobicContact CG1-CD1 3.93Å; V239-L243 HydrophobicContact CG1-CG 4.34Å; V239-L243 VanDerWaalsContact O-CG 3.29Å; V239-L243 WeakPolarHBondContact O-CG 3.45Å; V239-L243 PolarHBondContact O-N 3.34Å; I240-L243 PolarHBondContact O-N 3.13Å; L243-T331 HydrophobicContact CD2-CG2 4.24Å; L243-L332 HydrophobicContact CD2-CD1 4.4Å; L243-I335 HydrophobicContact CD2-CD1 3.47Å; L243-I335 VanDerWaalsContact CD2-CD1 3.47Å; L243-R339 PolarHBondContact O-NH2 2.89Å; L243-R339 VanDerWaalsContact O-NH2 3.13Å
244	S	76.9	Confident	73	Confident	17 Å²	17	69.9 Å²	69.9	12%	0.119	39%	0.393	C	S	.	.	H	α-helix	trans	-72.8	-57.1	-179.1	62.8	0	0	0	0	112.6	L190 I240	L190-S244 WeakPolarHBondContact CD1-O 3.32Å; I240-S244 PolarHBondContact O-N 2.71Å; I240-S244 PolarHBondContact O-OG 3.35Å
245	F	74.3	Confident	74.4	Confident	92 Å²	92	67.8 Å²	67.8	40%	0.404	38%	0.381	S	S	.	.			trans	-83.5	128.9	-170.2	-58.2	-68	0	0	0	112.2	N241 R261 R339	N241-F245 HydrophobicContact CB-CD2 4.19Å; N241-F245 WeakPolarHBondContact O-CB 3.47Å; N241-F245 WeakPolarHBondContact O-CD2 3.42Å; N241-F245 PolarHBondContact O-N 3.5Å; F245-R261 PolarHBondContact O-NH1 2.99Å; F245-R261 VanDerWaalsContact O-NH1 3.1Å; F245-R261 PolarHBondContact O-NH2 3.13Å; F245-R339 PolarHBondContact O-NH2 2.94Å
246	T	70.1	Confident	75.3	Confident	46 Å²	46	68 Å²	68	28%	0.282	38%	0.38	S	S	.	.	S	Bend	trans	-85.3	-16.1	175.8	47.9	0	0	0	0	113.7	R158	R158-T246 VanDerWaalsContact CZ-OG1 3.27Å; R158-T246 PolarHBondContact NH1-OG1 2.99Å; R158-T246 VanDerWaalsContact NH1-OG1 3.17Å; R158-T246 PolarHBondContact NH2-OG1 3.36Å
247	K	73.2	Confident	76.1	Confident	121 Å²	121	69.4 Å²	69.4	53%	0.526	39%	0.392	S	S	.	.			trans	-142.5	143.6	175	-71.3	-173.2	178.2	-177.2	0	107.7	L255	K247-L255 HydrophobicContact CB-CD1 3.74Å; K247-L255 HydrophobicContact CD-CD1 4.47Å; K247-L255 HydrophobicContact CG-CD1 4.08Å
248	Q	69.3	Low	76.4	Confident	55 Å²	55	62.6 Å²	62.6	26%	0.257	36%	0.363	S	S	.	.			trans	-149.1	130.9	-176.7	-175.9	-179.3	-7.4	0	0	109.4	I256	Q248-I256 HydrophobicContact CG-CD1 4.16Å; Q248-I256 WeakPolarHBondContact O-CG1 3.26Å; Q248-I256 PolarHBondContact O-N 2.85Å
249	N	73.8	Confident	76.5	Confident	104 Å²	104	65.4 Å²	65.4	56%	0.556	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-94.9	145.7	-178.8	-63.8	-3.3	0	0	0	110.4	G253	N249-G253 WeakPolarHBondContact CB-O 3.4Å; N249-G253 PolarHBondContact ND2-O 3.16Å
250	S	70	Confident	76.6	Confident	39 Å²	39	69 Å²	69	27%	0.273	38%	0.383	S	S	.	.			trans	-69.1	169.8	168.2	60	0	0	0	0	111.2	S252 G253 L254	S250-S252 PolarHBondContact O-N 2.65Å; S250-G253 PolarHBondContact O-N 2.97Å; S250-L254 WeakPolarHBondContact CB-O 3.39Å; S250-L254 PolarHBondContact N-O 3.02Å; S250-L254 PolarHBondContact OG-N 2.84Å; S250-L254 PolarHBondContact OG-O 2.97Å
251	S	72.2	Confident	76.9	Confident	133 Å²	133	65.8 Å²	65.8	93%	0.93	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.2	169.8	46.9	0	0	0	0	113.2	G253	S251-G253 VanDerWaalsContact C-N 3.26Å; S251-G253 PolarHBondContact O-N 3.11Å
252	S	70.7	Confident	77.1	Confident	107 Å²	107	65.5 Å²	65.5	75%	0.748	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	5	173.8	-50.6	0	0	0	0	114	S250 L254	S250-S252 PolarHBondContact O-N 2.65Å; S252-L254 PolarHBondContact O-N 3.46Å; S252-L254 VanDerWaalsContact O-N 3.16Å
253	G	72.7	Confident	77.3	Confident	46 Å²	46	68.5 Å²	68.5	47%	0.474	38%	0.383	S	S	.	.	S	Bend	trans	79	-19.4	-177.1	0	0	0	0	0	115.3	N249 S250 S251	N249-G253 WeakPolarHBondContact CB-O 3.4Å; N249-G253 PolarHBondContact ND2-O 3.16Å; S250-G253 PolarHBondContact O-N 2.97Å; S251-G253 VanDerWaalsContact C-N 3.26Å; S251-G253 PolarHBondContact O-N 3.11Å
254	L	74.8	Confident	77.7	Confident	130 Å²	130	69.7 Å²	69.7	68%	0.681	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-66	135.9	178.5	-178.2	64.1	0	0	0	111.9	S250 S252 I256	S250-L254 WeakPolarHBondContact CB-O 3.39Å; S250-L254 PolarHBondContact N-O 3.02Å; S250-L254 PolarHBondContact OG-N 2.84Å; S250-L254 PolarHBondContact OG-O 2.97Å; S252-L254 PolarHBondContact O-N 3.46Å; S252-L254 VanDerWaalsContact O-N 3.16Å; L254-I256 PolarHBondContact O-N 2.93Å
255	L	78.4	Confident	78.3	Confident	81 Å²	81	68.9 Å²	68.9	42%	0.424	38%	0.382	S	S	.	.	B	Isolated β-bridge	trans	-61	126.3	176	179	65.5	0	0	0	111.5	K247	K247-L255 HydrophobicContact CB-CD1 3.74Å; K247-L255 HydrophobicContact CD-CD1 4.47Å; K247-L255 HydrophobicContact CG-CD1 4.08Å
256	I	77.6	Confident	79	Confident	28 Å²	28	68.5 Å²	68.5	14%	0.144	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-76.6	127.7	179	-53.5	173.1	0	0	0	109.6	Q248 L254 E260 R261	Q248-I256 HydrophobicContact CG-CD1 4.16Å; Q248-I256 WeakPolarHBondContact O-CG1 3.26Å; Q248-I256 PolarHBondContact O-N 2.85Å; L254-I256 PolarHBondContact O-N 2.93Å; I256-E260 HydrophobicContact CG2-CB 4Å; I256-E260 HydrophobicContact CG2-CG 3.9Å; I256-R261 HydrophobicContact CB-CG 3.87Å; I256-R261 HydrophobicContact CG2-CG 3.59Å
257	P	82.6	Confident	80	Confident	77 Å²	77	71.4 Å²	71.4	50%	0.5	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-59.4	141.1	176.8	-25.3	35.1	0	0	0	113.1	R259 E260 R261	P257-R259 VanDerWaalsContact C-N 3.28Å; P257-R259 PolarHBondContact O-N 3.07Å; P257-E260 WeakPolarHBondContact O-CB 3.25Å; P257-E260 PolarHBondContact O-N 3.47Å; P257-R261 PolarHBondContact O-N 3.4Å; P257-R261 VanDerWaalsContact O-N 3.12Å
258	E	83.1	Confident	80.7	Confident	11 Å²	11	66 Å²	66	5%	0.051	37%	0.371	C	S	.	.	H	α-helix	trans	-60.2	-32.7	-173	177.7	54.5	-157.6	0	0	114.1	Y242 E260 R261 Y262 H336 R339 I340	Y242-E258 WeakPolarHBondContact CE2-OE1 3.49Å; Y242-E258 VanDerWaalsContact CZ-OE1 3.24Å; Y242-E258 PolarHBondContact OH-OE1 3.45Å; E258-E260 VanDerWaalsContact C-N 3.33Å; E258-E260 PolarHBondContact O-N 2.97Å; E258-R261 PolarHBondContact O-N 2.92Å; E258-R261 IonicContact OE2-CZ 2.73Å; E258-R261 IonicContact OE2-NH1 3.82Å; E258-R261 PolarHBondContact OE2-NH1 3.17Å; E258-Y262 WeakPolarHBondContact O-CB 3.42Å; E258-Y262 PolarHBondContact O-N 3.46Å; E258-H336 IonicContact OE1-ND1 3.11Å; E258-H336 PolarHBondContact OE1-ND1 2.85Å; E258-R339 HydrophobicContact CG-CB 4.09Å; E258-R339 WeakPolarHBondContact OE1-CD 3.28Å; E258-R339 IonicContact OE1-NH1 3.8Å; E258-R339 IonicContact OE2-NH1 2.65Å; E258-I340 HydrophobicContact CG-CD1 4.25Å
259	R	82.1	Confident	81.8	Confident	113 Å²	113	64 Å²	64	43%	0.426	36%	0.363	S	S	.	.	H	α-helix	trans	-58.8	-41.9	171.4	174.8	177.1	173.2	162.5	-0.7	112.4	P257 S263 N652 G653	P257-R259 VanDerWaalsContact C-N 3.28Å; P257-R259 PolarHBondContact O-N 3.07Å; R259-S263 WeakPolarHBondContact O-CB 3.38Å; R259-S263 PolarHBondContact O-N 3.03Å; R259-N652 PolarHBondContact NH1-O 2.79Å; R259-G653 PolarHBondContact NH1-O 3.04Å
260	E	84	Confident	82.6	Confident	88 Å²	88	62.6 Å²	62.6	41%	0.411	36%	0.36	S	S	.	.	H	α-helix	trans	-72.7	-41.7	-178.6	180	55.9	-156	0	0	110.7	I256 P257 E258 Y262 S263 Q264	I256-E260 HydrophobicContact CG2-CB 4Å; I256-E260 HydrophobicContact CG2-CG 3.9Å; P257-E260 WeakPolarHBondContact O-CB 3.25Å; P257-E260 PolarHBondContact O-N 3.47Å; E258-E260 VanDerWaalsContact C-N 3.33Å; E258-E260 PolarHBondContact O-N 2.97Å; E260-Y262 VanDerWaalsContact C-N 3.34Å; E260-Y262 PolarHBondContact O-N 2.8Å; E260-S263 WeakPolarHBondContact O-CB 3.24Å; E260-S263 PolarHBondContact O-N 2.81Å; E260-Q264 WeakPolarHBondContact O-CG 3.37Å; E260-Q264 PolarHBondContact O-N 3.4Å; E260-Q264 PolarHBondContact OE1-NE2 2.98Å
261	R	84.2	Confident	83.5	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.015	37%	0.371	C	S	.	.	H	α-helix	trans	-59.3	-43.6	174	-58.9	-177.5	64.9	-125.1	0.1	112.4	N241 Y242 F245 I256 P257 E258 A265 R339	N241-R261 PolarHBondContact O-NH2 3.17Å; Y242-R261 HydrophobicContact CD2-CB 3.88Å; Y242-R261 WeakPolarHBondContact CD2-O 3.39Å; Y242-R261 HydrophobicContact CE2-CB 4.06Å; F245-R261 PolarHBondContact O-NH1 2.99Å; F245-R261 VanDerWaalsContact O-NH1 3.1Å; F245-R261 PolarHBondContact O-NH2 3.13Å; I256-R261 HydrophobicContact CB-CG 3.87Å; I256-R261 HydrophobicContact CG2-CG 3.59Å; P257-R261 PolarHBondContact O-N 3.4Å; P257-R261 VanDerWaalsContact O-N 3.12Å; E258-R261 PolarHBondContact O-N 2.92Å; E258-R261 IonicContact OE2-CZ 2.73Å; E258-R261 IonicContact OE2-NH1 3.82Å; E258-R261 PolarHBondContact OE2-NH1 3.17Å; R261-A265 WeakPolarHBondContact O-CB 3.18Å; R261-A265 PolarHBondContact O-N 3.36Å; R261-R339 VanDerWaalsContact NH1-NH1 3.15Å
262	Y	86.8	Confident	84.3	Confident	36 Å²	36	59.4 Å²	59.4	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-67.1	-40.2	175.6	168.1	-110.8	0	0	0	112.2	E258 E260 A265 K266 L332 E333 H336	E258-Y262 WeakPolarHBondContact O-CB 3.42Å; E258-Y262 PolarHBondContact O-N 3.46Å; E260-Y262 VanDerWaalsContact C-N 3.34Å; E260-Y262 PolarHBondContact O-N 2.8Å; Y262-A265 PolarHBondContact O-N 3.41Å; Y262-K266 WeakPolarHBondContact O-CB 3.42Å; Y262-K266 PolarHBondContact O-N 3.47Å; Y262-L332 HydrophobicContact CD2-CD2 3.97Å; Y262-L332 HydrophobicContact CD2-CG 3.96Å; Y262-L332 HydrophobicContact CE2-CD2 3.74Å; Y262-L332 HydrophobicContact CE2-CG 3.9Å; Y262-E333 HydrophobicContact CE2-CG 4.17Å; Y262-E333 WeakPolarHBondContact OH-CG 3.49Å; Y262-H336 WeakPolarHBondContact CB-ND1 3.33Å; Y262-H336 AromaticContact CD1-CD2 3.36Å; Y262-H336 WeakPolarHBondContact CD1-CD2 3.43Å; Y262-H336 AromaticContact CD1-CE1 3.9Å; Y262-H336 AromaticContact CD1-CG 3.78Å; Y262-H336 AromaticContact CD1-NE2 3.46Å; Y262-H336 WeakPolarHBondContact CD1-NE2 3.21Å; Y262-H336 HydrophobicContact CD2-CB 3.63Å; Y262-H336 AromaticContact CD2-CD2 4Å; Y262-H336 AromaticContact CD2-CG 3.69Å; Y262-H336 AromaticContact CE1-CD2 3.64Å; Y262-H336 HydrophobicContact CE2-CB 4.03Å; Y262-H336 HydrophobicContact CG-CB 3.94Å; Y262-H336 AromaticContact CG-CD2 3.56Å; Y262-H336 AromaticContact CG-CE1 3.93Å; Y262-H336 AromaticContact CG-CG 3.45Å; Y262-H336 VanDerWaalsContact CG-CG 3.45Å; Y262-H336 AromaticContact CG-ND1 3.68Å; Y262-H336 AromaticContact CG-NE2 3.88Å
263	S	87.3	Confident	85.3	Confident	65 Å²	65	55.5 Å²	55.5	46%	0.455	30%	0.301	S	S	.	.	H	α-helix	trans	-57.6	-50.2	174	-170.7	0	0	0	0	111.7	R259 E260 A265 K266 L267	R259-S263 WeakPolarHBondContact O-CB 3.38Å; R259-S263 PolarHBondContact O-N 3.03Å; E260-S263 WeakPolarHBondContact O-CB 3.24Å; E260-S263 PolarHBondContact O-N 2.81Å; S263-A265 PolarHBondContact O-N 2.88Å; S263-K266 PolarHBondContact O-N 3.04Å; S263-L267 PolarHBondContact O-N 2.73Å
264	Q	87.9	Confident	86.2	Confident	71 Å²	71	57.9 Å²	57.9	33%	0.332	30%	0.299	S	S	.	.	H	α-helix	trans	-61.2	-42.8	177.2	-69.5	172.7	8.3	0	0	112.1	T238 E260 L267 A268	T238-Q264 HydrophobicContact CG2-CB 4.26Å; E260-Q264 WeakPolarHBondContact O-CG 3.37Å; E260-Q264 PolarHBondContact O-N 3.4Å; E260-Q264 PolarHBondContact OE1-NE2 2.98Å; Q264-L267 PolarHBondContact O-N 2.88Å; Q264-A268 WeakPolarHBondContact O-CB 2.74Å; Q264-A268 PolarHBondContact O-N 3.15Å
265	A	88.5	Confident	87	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-35.1	177.5	0	0	0	0	0	113.1	Y242 R261 Y262 S263 L269 L332	Y242-A265 HydrophobicContact CD1-CB 4.12Å; Y242-A265 HydrophobicContact CD2-CB 4.03Å; Y242-A265 HydrophobicContact CG-CB 3.6Å; R261-A265 WeakPolarHBondContact O-CB 3.18Å; R261-A265 PolarHBondContact O-N 3.36Å; Y262-A265 PolarHBondContact O-N 3.41Å; S263-A265 PolarHBondContact O-N 2.88Å; A265-L269 WeakPolarHBondContact O-CB 3.1Å; A265-L269 PolarHBondContact O-N 3.04Å; A265-L332 HydrophobicContact CB-CD1 3.79Å; A265-L332 HydrophobicContact CB-CD2 4.22Å
266	K	90.1	Very high	87.5	Confident	83 Å²	83	55 Å²	55	36%	0.361	28%	0.277	S	S	.	.	H	α-helix	trans	-69.7	-37.9	175.7	-176.2	159.6	-174.7	156.6	0	112	Y262 S263 S270 L332 E333	Y262-K266 WeakPolarHBondContact O-CB 3.42Å; Y262-K266 PolarHBondContact O-N 3.47Å; S263-K266 PolarHBondContact O-N 3.04Å; K266-S270 PolarHBondContact O-N 3.21Å; K266-L332 HydrophobicContact CB-CD2 3.96Å; K266-E333 IonicContact NZ-OE1 2.61Å; K266-E333 PolarHBondContact NZ-OE1 2.92Å
267	L	89.9	Confident	88.2	Confident	108 Å²	108	54.5 Å²	54.5	57%	0.565	27%	0.274	S	S	*	.	H	α-helix	trans	-65.6	-48.5	172.7	-176.4	142.4	0	0	0	110.9	S263 Q264 L269 S270 D271	S263-L267 PolarHBondContact O-N 2.73Å; Q264-L267 PolarHBondContact O-N 2.88Å; L267-L269 VanDerWaalsContact C-N 3.32Å; L267-L269 PolarHBondContact O-N 3.26Å; L267-S270 WeakPolarHBondContact O-CA 3.38Å; L267-S270 WeakPolarHBondContact O-CB 3.28Å; L267-S270 PolarHBondContact O-N 2.8Å; L267-D271 VanDerWaalsContact CD2-OD2 3.26Å; L267-D271 WeakPolarHBondContact CD2-OD2 3.4Å; L267-D271 PolarHBondContact O-N 3.38Å
268	A	89.7	Confident	88.7	Confident	6 Å²	6	55.2 Å²	55.2	5%	0.05	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-38.1	177.3	0	0	0	0	0	113.3	D236 T238 V239 Q264 D271 D272	D236-A268 HydrophobicContact CB-CB 4.25Å; T238-A268 HydrophobicContact CG2-CB 3.98Å; V239-A268 HydrophobicContact CG2-CB 4.04Å; Q264-A268 WeakPolarHBondContact O-CB 2.74Å; Q264-A268 PolarHBondContact O-N 3.15Å; A268-D271 PolarHBondContact O-N 2.9Å; A268-D272 VanDerWaalsContact O-CB 3.32Å; A268-D272 WeakPolarHBondContact O-CB 3.46Å; A268-D272 PolarHBondContact O-N 3.44Å
269	L	90.6	Very high	89.2	Confident	15 Å²	15	56 Å²	56	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-39.3	173.4	-179.7	62.9	0	0	0	112.1	V239 A265 L267 L273 D328 R329	V239-L269 HydrophobicContact CG2-CB 4.11Å; A265-L269 WeakPolarHBondContact O-CB 3.1Å; A265-L269 PolarHBondContact O-N 3.04Å; L267-L269 VanDerWaalsContact C-N 3.32Å; L267-L269 PolarHBondContact O-N 3.26Å; L269-L273 PolarHBondContact O-N 3.2Å; L269-D328 HydrophobicContact CD1-CB 3.95Å; L269-D328 HydrophobicContact CD2-CB 4.24Å; L269-R329 HydrophobicContact CD2-CB 3.96Å
270	S	90.8	Very high	89.7	Confident	73 Å²	73	51.2 Å²	51.2	51%	0.51	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-40	176.3	-167.3	0	0	0	0	112.4	K266 L267 H274	K266-S270 PolarHBondContact O-N 3.21Å; L267-S270 WeakPolarHBondContact O-CA 3.38Å; L267-S270 WeakPolarHBondContact O-CB 3.28Å; L267-S270 PolarHBondContact O-N 2.8Å; S270-H274 PolarHBondContact O-N 2.88Å
271	D	90.7	Very high	90.1	Very high	94 Å²	94	49 Å²	49	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-69.4	-37.9	177.2	-74.4	-17.7	0	0	0	111.5	L267 A268 H274 K275	L267-D271 VanDerWaalsContact CD2-OD2 3.26Å; L267-D271 WeakPolarHBondContact CD2-OD2 3.4Å; L267-D271 PolarHBondContact O-N 3.38Å; A268-D271 PolarHBondContact O-N 2.9Å; D271-H274 PolarHBondContact O-N 3.22Å; D271-K275 WeakPolarHBondContact O-CB 3.29Å; D271-K275 PolarHBondContact O-N 2.73Å
272	D	88.4	Confident	90.5	Very high	11 Å²	11	56.8 Å²	56.8	6%	0.059	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-42.6	174	-169.2	25.3	0	0	0	111.7	D236 A268 K275 R276	D236-D272 HydrophobicContact CB-CB 4.49Å; A268-D272 VanDerWaalsContact O-CB 3.32Å; A268-D272 WeakPolarHBondContact O-CB 3.46Å; A268-D272 PolarHBondContact O-N 3.44Å; D272-K275 PolarHBondContact O-N 2.91Å; D272-R276 WeakPolarHBondContact O-CB 3.26Å; D272-R276 WeakPolarHBondContact O-CG 3.48Å; D272-R276 PolarHBondContact O-N 3.15Å; D272-R276 IonicContact OD1-CZ 3.48Å; D272-R276 IonicContact OD1-NE 2.67Å; D272-R276 PolarHBondContact OD1-NE 3.46Å; D272-R276 IonicContact OD1-NH2 2.68Å; D272-R276 IonicContact OD2-CZ 2.65Å; D272-R276 IonicContact OD2-NE 2.82Å; D272-R276 PolarHBondContact OD2-NE 2.99Å; D272-R276 VanDerWaalsContact OD2-NE 3.11Å; D272-R276 IonicContact OD2-NH2 3.16Å; D272-R276 PolarHBondContact OD2-NH2 3.39Å
273	L	90.7	Very high	90.8	Very high	25 Å²	25	57.6 Å²	57.6	13%	0.131	28%	0.284	C	S	.	.	H	α-helix	trans	-55.6	-54.3	171.2	174.5	60.4	0	0	0	110.9	L269 K275 R276 E277 L321	L269-L273 PolarHBondContact O-N 3.2Å; L273-K275 VanDerWaalsContact C-N 3.33Å; L273-K275 PolarHBondContact O-N 3.12Å; L273-R276 PolarHBondContact O-N 2.93Å; L273-E277 HydrophobicContact CD1-CG 4.06Å; L273-E277 HydrophobicContact CG-CG 4.38Å; L273-E277 WeakPolarHBondContact O-CG 3.36Å; L273-E277 PolarHBondContact O-N 2.99Å; L273-L321 HydrophobicContact CD1-CD1 4.2Å; L273-L321 HydrophobicContact CD1-CD2 4.09Å; L273-L321 HydrophobicContact CD1-CG 3.76Å
274	H	91.8	Very high	91.1	Very high	96 Å²	96	54.7 Å²	54.7	44%	0.444	26%	0.263	S	S	.	.	H	α-helix	trans	-63.7	-37.5	-177.7	-174.5	44.1	0	0	0	112.8	S270 D271 R276 E277 K278	S270-H274 PolarHBondContact O-N 2.88Å; D271-H274 PolarHBondContact O-N 3.22Å; H274-R276 VanDerWaalsContact C-N 3.33Å; H274-R276 PolarHBondContact O-N 2.9Å; H274-E277 IonicContact ND1-OE2 2.71Å; H274-E277 PolarHBondContact ND1-OE2 3.18Å; H274-K278 VanDerWaalsContact O-CB 3.24Å; H274-K278 WeakPolarHBondContact O-CB 3.48Å; H274-K278 PolarHBondContact O-N 3.32Å
275	K	91.4	Very high	91.2	Very high	124 Å²	124	53.6 Å²	53.6	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-39.6	172.4	172.9	-169.6	169	-158.1	0	112	D271 D272 L273 A279	D271-K275 WeakPolarHBondContact O-CB 3.29Å; D271-K275 PolarHBondContact O-N 2.73Å; D272-K275 PolarHBondContact O-N 2.91Å; L273-K275 VanDerWaalsContact C-N 3.33Å; L273-K275 PolarHBondContact O-N 3.12Å; K275-A279 PolarHBondContact O-N 3.46Å; K275-A279 VanDerWaalsContact O-N 3.16Å
276	R	90.3	Very high	91.4	Very high	26 Å²	26	56.7 Å²	56.7	10%	0.098	29%	0.285	C	S	.	.	H	α-helix	trans	-74.8	-42.6	178.3	-69.5	171.4	-171.4	-144.2	6.9	112.3	W233 D272 L273 H274 K278 A279 L280 L321	W233-R276 HydrophobicContact CE3-CG 3.8Å; W233-R276 HydrophobicContact CZ3-CB 4.18Å; W233-R276 HydrophobicContact CZ3-CG 3.78Å; D272-R276 WeakPolarHBondContact O-CB 3.26Å; D272-R276 WeakPolarHBondContact O-CG 3.48Å; D272-R276 PolarHBondContact O-N 3.15Å; D272-R276 IonicContact OD1-CZ 3.48Å; D272-R276 IonicContact OD1-NE 2.67Å; D272-R276 PolarHBondContact OD1-NE 3.46Å; D272-R276 IonicContact OD1-NH2 2.68Å; D272-R276 IonicContact OD2-CZ 2.65Å; D272-R276 IonicContact OD2-NE 2.82Å; D272-R276 PolarHBondContact OD2-NE 2.99Å; D272-R276 VanDerWaalsContact OD2-NE 3.11Å; D272-R276 IonicContact OD2-NH2 3.16Å; D272-R276 PolarHBondContact OD2-NH2 3.39Å; L273-R276 PolarHBondContact O-N 2.93Å; H274-R276 VanDerWaalsContact C-N 3.33Å; H274-R276 PolarHBondContact O-N 2.9Å; R276-K278 VanDerWaalsContact C-N 3.34Å; R276-K278 PolarHBondContact O-N 2.96Å; R276-A279 WeakPolarHBondContact O-CB 3.17Å; R276-A279 PolarHBondContact O-N 3.34Å; R276-A279 VanDerWaalsContact O-N 3.11Å; R276-L280 PolarHBondContact O-N 3Å; R276-L321 HydrophobicContact CB-CD1 3.73Å; R276-L321 HydrophobicContact CB-CD2 3.66Å; R276-L321 HydrophobicContact CB-CG 4.35Å; R276-L321 HydrophobicContact CG-CD1 4.27Å
277	E	91.9	Very high	91.4	Very high	19 Å²	19	55.7 Å²	55.7	9%	0.089	28%	0.282	C	S	.	.	H	α-helix	trans	-53.9	-52.5	171.4	-71.3	171.7	159.3	0	0	110.3	L273 H274 A279 L280 E281 L321 K418	L273-E277 HydrophobicContact CD1-CG 4.06Å; L273-E277 HydrophobicContact CG-CG 4.38Å; L273-E277 WeakPolarHBondContact O-CG 3.36Å; L273-E277 PolarHBondContact O-N 2.99Å; H274-E277 IonicContact ND1-OE2 2.71Å; H274-E277 PolarHBondContact ND1-OE2 3.18Å; E277-A279 PolarHBondContact O-N 2.97Å; E277-L280 CarbonylContact O-C 3.53Å; E277-L280 WeakPolarHBondContact O-CA 3.08Å; E277-L280 WeakPolarHBondContact O-CB 3.16Å; E277-L280 PolarHBondContact O-N 3.44Å; E277-E281 WeakPolarHBondContact O-CG 3.3Å; E277-E281 PolarHBondContact O-N 2.88Å; E277-L321 HydrophobicContact CG-CD2 3.97Å; E277-K418 VanDerWaalsContact OE1-CE 3.27Å; E277-K418 WeakPolarHBondContact OE1-CE 3.4Å; E277-K418 IonicContact OE1-NZ 3.86Å; E277-K418 PolarHBondContact OE1-NZ 3.05Å
278	K	92.5	Very high	91.3	Very high	91 Å²	91	51.1 Å²	51.1	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-19.1	179.3	-163.8	166.1	-162.8	155.4	0	114.2	H274 R276 E281 R282	H274-K278 VanDerWaalsContact O-CB 3.24Å; H274-K278 WeakPolarHBondContact O-CB 3.48Å; H274-K278 PolarHBondContact O-N 3.32Å; R276-K278 VanDerWaalsContact C-N 3.34Å; R276-K278 PolarHBondContact O-N 2.96Å; K278-E281 WeakPolarHBondContact CA-OE2 3.39Å; K278-R282 VanDerWaalsContact O-CD 3.26Å; K278-R282 WeakPolarHBondContact O-CD 3.43Å; K278-R282 VanDerWaalsContact O-CG 3.25Å; K278-R282 WeakPolarHBondContact O-CG 3.46Å
279	A	93.6	Very high	91.2	Very high	29 Å²	29	55 Å²	55	24%	0.24	29%	0.285	C	S	.	.	H	α-helix	trans	-80.6	-36.4	169.6	0	0	0	0	0	111.8	W233 K275 R276 E277 K283	W233-A279 HydrophobicContact CH2-CB 4.08Å; W233-A279 HydrophobicContact CZ3-CB 4.18Å; K275-A279 PolarHBondContact O-N 3.46Å; K275-A279 VanDerWaalsContact O-N 3.16Å; R276-A279 WeakPolarHBondContact O-CB 3.17Å; R276-A279 PolarHBondContact O-N 3.34Å; R276-A279 VanDerWaalsContact O-N 3.11Å; E277-A279 PolarHBondContact O-N 2.97Å; A279-K283 WeakPolarHBondContact O-CG 3.38Å; A279-K283 PolarHBondContact O-N 3.09Å; A279-K283 VanDerWaalsContact O-N 3.17Å
280	L	93.1	Very high	91	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.063	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-41.5	172.8	-69.3	178.4	0	0	0	112.2	R276 E277 R282 K283 F284 F314 K317 F318 L321	R276-L280 PolarHBondContact O-N 3Å; E277-L280 CarbonylContact O-C 3.53Å; E277-L280 WeakPolarHBondContact O-CA 3.08Å; E277-L280 WeakPolarHBondContact O-CB 3.16Å; E277-L280 PolarHBondContact O-N 3.44Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 PolarHBondContact O-N 3.19Å; L280-K283 PolarHBondContact O-N 3.14Å; L280-F284 WeakPolarHBondContact O-CB 3.19Å; L280-F284 PolarHBondContact O-N 3.47Å; L280-F314 HydrophobicContact CD2-CE1 4.48Å; L280-F314 WeakPolarHBondContact O-CE1 3.29Å; L280-K317 HydrophobicContact CD1-CB 4.19Å; L280-K317 HydrophobicContact CD2-CB 4.19Å; L280-K317 HydrophobicContact CD2-CD 4.31Å; L280-F318 HydrophobicContact CB-CD1 4.23Å; L280-F318 HydrophobicContact CB-CE1 3.52Å; L280-F318 HydrophobicContact CB-CE2 4.34Å; L280-F318 HydrophobicContact CB-CZ 3.58Å; L280-F318 HydrophobicContact CD1-CD1 3.82Å; L280-F318 HydrophobicContact CD1-CE1 3.98Å; L280-F318 HydrophobicContact CD1-CG 4.29Å; L280-F318 HydrophobicContact CG-CE1 4.41Å; L280-L321 HydrophobicContact CD1-CB 4.41Å; L280-L321 HydrophobicContact CD1-CD2 3.8Å
281	E	92	Very high	90.8	Very high	42 Å²	42	58.2 Å²	58.2	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-53.5	-49.1	173.5	-73.8	176.7	155.2	0	0	111.7	E277 K278 F284 S285 F318 I422	E277-E281 WeakPolarHBondContact O-CG 3.3Å; E277-E281 PolarHBondContact O-N 2.88Å; K278-E281 WeakPolarHBondContact CA-OE2 3.39Å; E281-F284 PolarHBondContact O-N 3.05Å; E281-S285 WeakPolarHBondContact O-CB 3.23Å; E281-S285 PolarHBondContact O-N 2.93Å; E281-F318 HydrophobicContact CG-CZ 4.22Å; E281-I422 HydrophobicContact CG-CG2 3.58Å
282	R	93	Very high	90.4	Very high	167 Å²	167	55.8 Å²	55.8	63%	0.63	29%	0.285	S	S	*	.	H	α-helix	trans	-64	-40.9	178.1	-72.8	169.1	176.1	153.6	-9.9	112.5	K278 L280 S286	K278-R282 VanDerWaalsContact O-CD 3.26Å; K278-R282 WeakPolarHBondContact O-CD 3.43Å; K278-R282 VanDerWaalsContact O-CG 3.25Å; K278-R282 WeakPolarHBondContact O-CG 3.46Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 PolarHBondContact O-N 3.19Å; R282-S286 WeakPolarHBondContact O-CB 3.32Å; R282-S286 PolarHBondContact O-N 3.28Å; R282-S286 PolarHBondContact O-OG 3.23Å
283	K	93.7	Very high	90.1	Very high	53 Å²	53	59.2 Å²	59.2	23%	0.23	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-51.3	173.3	-78.6	-176.9	176.4	-178.4	0	110.5	E229 A279 L280 S285 S286 E287 F314	E229-K283 IonicContact OE1-NZ 2.92Å; E229-K283 PolarHBondContact OE1-NZ 2.86Å; A279-K283 WeakPolarHBondContact O-CG 3.38Å; A279-K283 PolarHBondContact O-N 3.09Å; A279-K283 VanDerWaalsContact O-N 3.17Å; L280-K283 PolarHBondContact O-N 3.14Å; K283-S285 PolarHBondContact O-N 3.39Å; K283-S286 WeakPolarHBondContact CA-OG 3.18Å; K283-S286 CarbonylContact O-C 3.58Å; K283-S286 PolarHBondContact O-N 3.25Å; K283-S286 VanDerWaalsContact O-N 3.1Å; K283-S286 PolarHBondContact O-OG 3.44Å; K283-E287 WeakPolarHBondContact O-CG 3.11Å; K283-E287 PolarHBondContact O-N 3.41Å; K283-F314 HydrophobicContact CB-CE1 3.8Å; K283-F314 HydrophobicContact CB-CZ 3.87Å
284	F	93.5	Very high	89.9	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.013	33%	0.327	C	S	.	.	H	α-helix	trans	-55	-52.8	179.2	-177.1	-106.3	0	0	0	111.4	L280 E281 S286 E287 E288 L310 V311 F314 I423 H426	L280-F284 WeakPolarHBondContact O-CB 3.19Å; L280-F284 PolarHBondContact O-N 3.47Å; E281-F284 PolarHBondContact O-N 3.05Å; F284-S286 VanDerWaalsContact C-N 3.31Å; F284-S286 PolarHBondContact O-N 3.14Å; F284-E287 PolarHBondContact O-N 2.69Å; F284-E287 VanDerWaalsContact O-N 3.08Å; F284-E288 WeakPolarHBondContact CE1-OE2 3.19Å; F284-E288 WeakPolarHBondContact O-CB 3.4Å; F284-E288 PolarHBondContact O-N 2.85Å; F284-L310 HydrophobicContact CD2-CD2 4.33Å; F284-L310 HydrophobicContact CD2-CG 4.18Å; F284-L310 HydrophobicContact CE2-CD2 4Å; F284-L310 HydrophobicContact CE2-CG 3.89Å; F284-V311 HydrophobicContact CE2-CG2 4.28Å; F284-V311 HydrophobicContact CZ-CG2 4.08Å; F284-F314 HydrophobicContact CB-CD1 3.69Å; F284-F314 HydrophobicContact CB-CE1 3.8Å; F284-F314 HydrophobicContact CB-CG 4.11Å; F284-F314 HydrophobicContact CB-CZ 4.31Å; F284-F314 HydrophobicContact CD2-CB 3.71Å; F284-F314 HydrophobicContact CD2-CD1 4.02Å; F284-F314 AromaticContact CD2-CD2 3.71Å; F284-F314 HydrophobicContact CD2-CD2 3.71Å; F284-F314 HydrophobicContact CD2-CE2 4.31Å; F284-F314 AromaticContact CD2-CG 3.52Å; F284-F314 HydrophobicContact CD2-CG 3.52Å; F284-F314 HydrophobicContact CE2-CB 4.24Å; F284-F314 HydrophobicContact CE2-CD2 4.48Å; F284-F314 HydrophobicContact CE2-CG 4.41Å; F284-F314 HydrophobicContact CG-CD1 4.29Å; F284-F314 HydrophobicContact CG-CG 4.23Å; F284-I423 HydrophobicContact CE1-CG2 4.14Å; F284-I423 HydrophobicContact CE2-CG2 4.49Å; F284-I423 HydrophobicContact CZ-CG2 3.82Å; F284-H426 HydrophobicContact CD1-CB 3.79Å; F284-H426 HydrophobicContact CE1-CB 3.79Å
285	S	89.8	Confident	89.5	Confident	48 Å²	48	61.6 Å²	61.6	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-37.1	177.1	178.8	0	0	0	0	112.9	E281 K283 E287 S289	E281-S285 WeakPolarHBondContact O-CB 3.23Å; E281-S285 PolarHBondContact O-N 2.93Å; K283-S285 PolarHBondContact O-N 3.39Å; S285-E287 VanDerWaalsContact C-N 3.34Å; S285-S289 WeakPolarHBondContact O-CB 3.38Å; S285-S289 PolarHBondContact O-N 2.83Å; S285-S289 VanDerWaalsContact O-N 3.09Å; S285-S289 PolarHBondContact O-OG 3.25Å
286	S	91.5	Very high	89.2	Confident	65 Å²	65	57.7 Å²	57.7	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-72.6	-21.8	175.3	70.4	0	0	0	0	114.7	R282 K283 F284 S289	R282-S286 WeakPolarHBondContact O-CB 3.32Å; R282-S286 PolarHBondContact O-N 3.28Å; R282-S286 PolarHBondContact O-OG 3.23Å; K283-S286 WeakPolarHBondContact CA-OG 3.18Å; K283-S286 CarbonylContact O-C 3.58Å; K283-S286 PolarHBondContact O-N 3.25Å; K283-S286 VanDerWaalsContact O-N 3.1Å; K283-S286 PolarHBondContact O-OG 3.44Å; F284-S286 VanDerWaalsContact C-N 3.31Å; F284-S286 PolarHBondContact O-N 3.14Å; S286-S289 WeakPolarHBondContact CA-OG 3.42Å; S286-S289 PolarHBondContact O-OG 3.47Å
287	E	90.8	Very high	89	Confident	63 Å²	63	63.3 Å²	63.3	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-92.4	-36.2	176.7	-70	172.2	-133.6	0	0	110.9	K283 F284 S285 L290 L310 F314	K283-E287 WeakPolarHBondContact O-CG 3.11Å; K283-E287 PolarHBondContact O-N 3.41Å; F284-E287 PolarHBondContact O-N 2.69Å; F284-E287 VanDerWaalsContact O-N 3.08Å; S285-E287 VanDerWaalsContact C-N 3.34Å; E287-L290 WeakPolarHBondContact O-CB 3.42Å; E287-L290 PolarHBondContact O-N 2.99Å; E287-L310 HydrophobicContact CB-CD1 3.85Å; E287-L310 HydrophobicContact CB-CD2 4.17Å; E287-F314 WeakPolarHBondContact OE1-CZ 3.18Å; E287-F314 VanDerWaalsContact OE2-CE2 3.31Å; E287-F314 WeakPolarHBondContact OE2-CE2 3.32Å
288	E	88	Confident	88.9	Confident	12 Å²	12	68.2 Å²	68.2	6%	0.056	36%	0.361	C	S	.	.	H	α-helix	trans	-63	-42.2	172.8	-175	-176.2	168.2	0	0	111.1	F284 L290 I291 L310 R427 H428	F284-E288 WeakPolarHBondContact CE1-OE2 3.19Å; F284-E288 WeakPolarHBondContact O-CB 3.4Å; F284-E288 PolarHBondContact O-N 2.85Å; E288-L290 PolarHBondContact O-N 3.11Å; E288-I291 WeakPolarHBondContact O-CB 3.46Å; E288-I291 PolarHBondContact O-N 3.47Å; E288-L310 HydrophobicContact CB-CD2 4.13Å; E288-R427 VanDerWaalsContact OE1-CA 3.23Å; E288-R427 WeakPolarHBondContact OE1-CA 3.49Å; E288-H428 PolarHBondContact OE1-N 3.08Å
289	S	86.5	Confident	88.8	Confident	88 Å²	88	68.7 Å²	68.7	62%	0.615	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	1.2	177.2	52.1	0	0	0	0	115.2	S285 S286	S285-S289 WeakPolarHBondContact O-CB 3.38Å; S285-S289 PolarHBondContact O-N 2.83Å; S285-S289 VanDerWaalsContact O-N 3.09Å; S285-S289 PolarHBondContact O-OG 3.25Å; S286-S289 WeakPolarHBondContact CA-OG 3.42Å; S286-S289 PolarHBondContact O-OG 3.47Å
290	L	88.1	Confident	88.5	Confident	136 Å²	136	70.1 Å²	70.1	71%	0.712	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.2	166.8	-56.8	176.7	0	0	0	112.9	E287 E288 S292	E287-L290 WeakPolarHBondContact O-CB 3.42Å; E287-L290 PolarHBondContact O-N 2.99Å; E288-L290 PolarHBondContact O-N 3.11Å; L290-S292 PolarHBondContact O-N 3.2Å
291	I	86.5	Confident	88.3	Confident	19 Å²	19	74.7 Å²	74.7	10%	0.097	40%	0.4	C	S	.	.	S	Bend	trans	-88.3	92.3	175.5	-50.4	179.2	0	0	0	107.6	E288 E306 E307	E288-I291 WeakPolarHBondContact O-CB 3.46Å; E288-I291 PolarHBondContact O-N 3.47Å; I291-E306 HydrophobicContact CD1-CB 4.38Å; I291-E306 HydrophobicContact CD1-CG 4.24Å; I291-E307 HydrophobicContact CD1-CB 4.03Å
292	S	82.5	Confident	88.1	Confident	42 Å²	42	77.4 Å²	77.4	29%	0.294	41%	0.411	S	S	.	.			trans	-72.1	151.2	-169.5	-148.2	0	0	0	0	112	L290 E294 D295 W296	L290-S292 PolarHBondContact O-N 3.2Å; S292-E294 WeakPolarHBondContact CB-OE2 3.45Å; S292-E294 PolarHBondContact O-N 2.7Å; S292-E294 VanDerWaalsContact O-N 3.13Å; S292-E294 PolarHBondContact OG-OE2 2.91Å; S292-D295 WeakPolarHBondContact CB-OD2 3.39Å; S292-D295 PolarHBondContact N-OD2 3.08Å; S292-D295 WeakPolarHBondContact O-CB 3.26Å; S292-D295 PolarHBondContact O-N 3.26Å; S292-W296 PolarHBondContact O-N 3.16Å
293	P	81.9	Confident	87.8	Confident	84 Å²	84	69.5 Å²	69.5	55%	0.545	38%	0.381	S	S	.	.	H	α-helix	trans	-54.9	-29	171.6	-27.6	36.9	0	0	0	113.5	W296 L297	P293-W296 PolarHBondContact O-N 3.42Å; P293-L297 PolarHBondContact O-N 2.92Å
294	E	85.1	Confident	87.5	Confident	113 Å²	113	68.1 Å²	68.1	53%	0.528	38%	0.375	S	S	.	.	H	α-helix	trans	-68.1	-36.8	172.7	-63.5	73.6	-163.3	0	0	112.5	S292 W296 L297 N298	S292-E294 WeakPolarHBondContact CB-OE2 3.45Å; S292-E294 PolarHBondContact O-N 2.7Å; S292-E294 VanDerWaalsContact O-N 3.13Å; S292-E294 PolarHBondContact OG-OE2 2.91Å; E294-W296 VanDerWaalsContact C-N 3.3Å; E294-W296 PolarHBondContact O-N 2.96Å; E294-L297 PolarHBondContact O-N 3.04Å; E294-L297 VanDerWaalsContact O-N 3.15Å; E294-N298 WeakPolarHBondContact O-CB 3.38Å; E294-N298 PolarHBondContact O-N 3.18Å; E294-N298 PolarHBondContact O-ND2 2.98Å
295	D	84.6	Confident	87.3	Confident	58 Å²	58	73.2 Å²	73.2	31%	0.31	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-38	175.9	-65	-61.2	0	0	0	110.7	S292 L297 N298 E299 S303	S292-D295 WeakPolarHBondContact CB-OD2 3.39Å; S292-D295 PolarHBondContact N-OD2 3.08Å; S292-D295 WeakPolarHBondContact O-CB 3.26Å; S292-D295 PolarHBondContact O-N 3.26Å; D295-L297 VanDerWaalsContact C-N 3.3Å; D295-L297 PolarHBondContact O-N 3.1Å; D295-N298 PolarHBondContact O-N 3.33Å; D295-E299 CarbonylContact O-C 3.56Å; D295-E299 PolarHBondContact O-N 3.46Å; D295-S303 PolarHBondContact O-OG 3.46Å; D295-S303 VanDerWaalsContact O-OG 3.1Å
296	W	84.4	Confident	87.2	Confident	41 Å²	41	76 Å²	76	16%	0.155	41%	0.41	C	S	.	.	H	α-helix	trans	-64.1	-31.1	171.8	-79.2	101.1	0	0	0	113.8	S292 P293 E294 P300 Q304 E307 H429	S292-W296 PolarHBondContact O-N 3.16Å; P293-W296 PolarHBondContact O-N 3.42Å; E294-W296 VanDerWaalsContact C-N 3.3Å; E294-W296 PolarHBondContact O-N 2.96Å; W296-P300 HydrophobicContact CE3-CB 4.45Å; W296-P300 VanDerWaalsContact O-CB 3.27Å; W296-P300 WeakPolarHBondContact O-CB 3.4Å; W296-P300 WeakPolarHBondContact O-CD 3.45Å; W296-Q304 HydrophobicContact CH2-CB 4.08Å; W296-Q304 HydrophobicContact CZ3-CB 4.16Å; W296-E307 WeakPolarHBondContact CH2-OE2 3.5Å; W296-E307 HydrophobicContact CZ2-CB 4.18Å; W296-E307 HydrophobicContact CZ2-CG 4.44Å; W296-E307 WeakPolarHBondContact CZ2-OE2 3.39Å; W296-H429 AromaticContact CD1-CD2 3.96Å; W296-H429 AromaticContact CD1-CE1 3.44Å; W296-H429 VanDerWaalsContact CD1-CE1 3.44Å; W296-H429 AromaticContact CD1-ND1 3.8Å; W296-H429 AromaticContact CD1-NE2 3.55Å; W296-H429 AromaticContact CE2-CD2 3.91Å; W296-H429 AromaticContact CE2-CG 3.63Å; W296-H429 AromaticContact CE2-ND1 3.87Å; W296-H429 AromaticContact CG-CE1 3.93Å; W296-H429 AromaticContact CG-ND1 4Å; W296-H429 HydrophobicContact CH2-CB 4.22Å; W296-H429 HydrophobicContact CZ2-CB 3.71Å; W296-H429 AromaticContact CZ2-CG 3.9Å; W296-H429 AromaticContact NE1-CD2 3.35Å; W296-H429 PolarHBondContact NE1-CD2 2.56Å; W296-H429 VanDerWaalsContact NE1-CD2 3.35Å; W296-H429 AromaticContact NE1-CE1 3.63Å; W296-H429 AromaticContact NE1-CG 3.53Å; W296-H429 AromaticContact NE1-ND1 3.7Å; W296-H429 AromaticContact NE1-NE2 3.43Å; W296-H429 PolarHBondContact NE1-NE2 2.99Å
297	L	85.7	Confident	87.1	Confident	144 Å²	144	73 Å²	73	75%	0.754	39%	0.389	S	S	*	.	H	α-helix	trans	-76.5	-36.1	175.3	-174.1	61.4	0	0	0	112.1	P293 E294 D295	P293-L297 PolarHBondContact O-N 2.92Å; E294-L297 PolarHBondContact O-N 3.04Å; E294-L297 VanDerWaalsContact O-N 3.15Å; D295-L297 VanDerWaalsContact C-N 3.3Å; D295-L297 PolarHBondContact O-N 3.1Å
298	N	90.3	Very high	87	Confident	122 Å²	122	73 Å²	73	65%	0.652	39%	0.391	S	S	*	.	H	α-helix	trans	-87.8	-46.3	-174.4	-68.6	-49.3	0	0	0	113.8	E294 D295 P300	E294-N298 WeakPolarHBondContact O-CB 3.38Å; E294-N298 PolarHBondContact O-N 3.18Å; E294-N298 PolarHBondContact O-ND2 2.98Å; D295-N298 PolarHBondContact O-N 3.33Å; N298-P300 VanDerWaalsContact C-CD 3.46Å
299	E	90.2	Very high	87.2	Confident	101 Å²	101	76.1 Å²	76.1	47%	0.472	41%	0.414	S	S	.	.			trans	-131.5	48.1	-172.7	-60.3	-172.2	165.4	0	0	113.2	D295 V301 K302 S303	D295-E299 CarbonylContact O-C 3.56Å; D295-E299 PolarHBondContact O-N 3.46Å; E299-V301 VanDerWaalsContact C-N 3.26Å; E299-V301 PolarHBondContact O-N 2.88Å; E299-K302 HydrophobicContact CB-CB 4.28Å; E299-K302 HydrophobicContact CB-CD 4.16Å; E299-K302 WeakPolarHBondContact O-CB 3.42Å; E299-K302 PolarHBondContact O-N 2.94Å; E299-K302 WeakPolarHBondContact OE2-CD 3.37Å; E299-K302 WeakPolarHBondContact OE2-CE 3.31Å; E299-K302 IonicContact OE2-NZ 2.71Å; E299-K302 PolarHBondContact OE2-NZ 3.45Å; E299-S303 PolarHBondContact O-N 3.4Å; E299-S303 VanDerWaalsContact O-N 3.15Å; E299-S303 PolarHBondContact O-OG 3.49Å
300	P	88.2	Confident	87.4	Confident	60 Å²	60	73 Å²	73	39%	0.39	39%	0.39	S	S	.	.	H	α-helix	trans	-54.2	-29.8	-166.8	15.2	-29.6	0	0	0	116.5	W296 N298 Q304	W296-P300 HydrophobicContact CE3-CB 4.45Å; W296-P300 VanDerWaalsContact O-CB 3.27Å; W296-P300 WeakPolarHBondContact O-CB 3.4Å; W296-P300 WeakPolarHBondContact O-CD 3.45Å; N298-P300 VanDerWaalsContact C-CD 3.46Å; P300-Q304 WeakPolarHBondContact O-CB 3.29Å; P300-Q304 PolarHBondContact O-N 3.12Å; P300-Q304 VanDerWaalsContact O-N 3.15Å
301	V	88.1	Confident	87.5	Confident	108 Å²	108	67.4 Å²	67.4	66%	0.655	36%	0.361	S	S	*	.	H	α-helix	trans	-72.1	-31.8	178.4	177.9	0	0	0	0	111.7	E299 L305	E299-V301 VanDerWaalsContact C-N 3.26Å; E299-V301 PolarHBondContact O-N 2.88Å; V301-L305 WeakPolarHBondContact O-CD1 3.34Å; V301-L305 WeakPolarHBondContact O-CG 2.95Å; V301-L305 PolarHBondContact O-N 2.99Å
302	K	88.7	Confident	87.8	Confident	98 Å²	98	71.8 Å²	71.8	43%	0.426	38%	0.381	S	S	.	.	H	α-helix	trans	-79.5	-46	176.4	170.1	-156.6	164.6	-150.7	0	110.2	E299 Q304 L305 E306	E299-K302 HydrophobicContact CB-CB 4.28Å; E299-K302 HydrophobicContact CB-CD 4.16Å; E299-K302 WeakPolarHBondContact O-CB 3.42Å; E299-K302 PolarHBondContact O-N 2.94Å; E299-K302 WeakPolarHBondContact OE2-CD 3.37Å; E299-K302 WeakPolarHBondContact OE2-CE 3.31Å; E299-K302 IonicContact OE2-NZ 2.71Å; E299-K302 PolarHBondContact OE2-NZ 3.45Å; K302-Q304 PolarHBondContact O-N 2.88Å; K302-L305 WeakPolarHBondContact O-CA 3.33Å; K302-L305 PolarHBondContact O-N 3.43Å; K302-E306 PolarHBondContact O-N 3.29Å
303	S	86.9	Confident	88.3	Confident	2 Å²	2	74.4 Å²	74.4	1%	0.014	39%	0.389	C	S	.	.	H	α-helix	trans	-55.8	-39.6	176.6	-45	0	0	0	0	111.7	D295 E299 E306 E307	D295-S303 PolarHBondContact O-OG 3.46Å; D295-S303 VanDerWaalsContact O-OG 3.1Å; E299-S303 PolarHBondContact O-N 3.4Å; E299-S303 VanDerWaalsContact O-N 3.15Å; E299-S303 PolarHBondContact O-OG 3.49Å; S303-E306 PolarHBondContact O-N 3.19Å; S303-E307 VanDerWaalsContact O-CB 3.29Å; S303-E307 WeakPolarHBondContact O-CB 3.23Å; S303-E307 PolarHBondContact O-N 2.93Å
304	Q	86.3	Confident	88.9	Confident	23 Å²	23	70.4 Å²	70.4	11%	0.107	36%	0.363	C	S	.	.	H	α-helix	trans	-59.3	-45.6	171.2	-173.3	73.8	74.8	0	0	113.4	W296 P300 K302 E306 E307 D308 R453	W296-Q304 HydrophobicContact CH2-CB 4.08Å; W296-Q304 HydrophobicContact CZ3-CB 4.16Å; P300-Q304 WeakPolarHBondContact O-CB 3.29Å; P300-Q304 PolarHBondContact O-N 3.12Å; P300-Q304 VanDerWaalsContact O-N 3.15Å; K302-Q304 PolarHBondContact O-N 2.88Å; Q304-E306 VanDerWaalsContact C-N 3.3Å; Q304-E307 PolarHBondContact NE2-OE2 2.79Å; Q304-D308 PolarHBondContact NE2-OD1 2.89Å; Q304-D308 PolarHBondContact NE2-OD2 2.82Å; Q304-D308 VanDerWaalsContact O-CB 3.27Å; Q304-D308 WeakPolarHBondContact O-CB 3.32Å; Q304-D308 PolarHBondContact O-N 3.22Å; Q304-R453 VanDerWaalsContact OE1-CZ 3.29Å
305	L	88.8	Confident	89.3	Confident	110 Å²	110	66.1 Å²	66.1	58%	0.576	34%	0.344	S	S	*	.	H	α-helix	trans	-70.9	-29.9	-178	-70.9	169	0	0	0	111.9	V301 K302 S309	V301-L305 WeakPolarHBondContact O-CD1 3.34Å; V301-L305 WeakPolarHBondContact O-CG 2.95Å; V301-L305 PolarHBondContact O-N 2.99Å; K302-L305 WeakPolarHBondContact O-CA 3.33Å; K302-L305 PolarHBondContact O-N 3.43Å; L305-S309 WeakPolarHBondContact O-CB 3.06Å; L305-S309 PolarHBondContact O-N 3.44Å
306	E	89.1	Confident	89.7	Confident	106 Å²	106	65.7 Å²	65.7	50%	0.495	35%	0.345	S	S	.	.	H	α-helix	trans	-72.4	-46.9	174.8	-164.7	150.3	-162.9	0	0	110.6	I291 K302 S303 Q304 S309 L310	I291-E306 HydrophobicContact CD1-CB 4.38Å; I291-E306 HydrophobicContact CD1-CG 4.24Å; K302-E306 PolarHBondContact O-N 3.29Å; S303-E306 PolarHBondContact O-N 3.19Å; Q304-E306 VanDerWaalsContact C-N 3.3Å; E306-S309 PolarHBondContact O-N 3.37Å; E306-L310 WeakPolarHBondContact O-CB 3.2Å; E306-L310 PolarHBondContact O-N 2.84Å
307	E	87.9	Confident	90.2	Very high	4 Å²	4	65.9 Å²	65.9	2%	0.019	35%	0.347	C	S	.	.	H	α-helix	trans	-59.1	-52.2	171.8	-174.7	-164.1	-155.7	0	0	112.1	I291 W296 S303 Q304 S309 L310 V311 R427	I291-E307 HydrophobicContact CD1-CB 4.03Å; W296-E307 WeakPolarHBondContact CH2-OE2 3.5Å; W296-E307 HydrophobicContact CZ2-CB 4.18Å; W296-E307 HydrophobicContact CZ2-CG 4.44Å; W296-E307 WeakPolarHBondContact CZ2-OE2 3.39Å; S303-E307 VanDerWaalsContact O-CB 3.29Å; S303-E307 WeakPolarHBondContact O-CB 3.23Å; S303-E307 PolarHBondContact O-N 2.93Å; Q304-E307 PolarHBondContact NE2-OE2 2.79Å; E307-S309 VanDerWaalsContact C-N 3.26Å; E307-S309 PolarHBondContact O-N 3.03Å; E307-L310 PolarHBondContact O-N 3.49Å; E307-V311 WeakPolarHBondContact O-CB 3.33Å; E307-V311 VanDerWaalsContact O-CG2 3.31Å; E307-V311 WeakPolarHBondContact O-CG2 3.25Å; E307-V311 PolarHBondContact O-N 2.99Å; E307-R427 VanDerWaalsContact CD-NE 3.3Å; E307-R427 VanDerWaalsContact OE1-CG 3.27Å; E307-R427 WeakPolarHBondContact OE1-CG 3.44Å; E307-R427 IonicContact OE1-CZ 3.79Å; E307-R427 IonicContact OE1-NE 3.87Å; E307-R427 PolarHBondContact OE1-NE 3.47Å; E307-R427 IonicContact OE1-NH2 3.4Å; E307-R427 PolarHBondContact OE1-NH2 2.99Å; E307-R427 IonicContact OE2-CZ 2.66Å; E307-R427 IonicContact OE2-NE 2.87Å; E307-R427 IonicContact OE2-NH2 2.7Å; E307-R427 PolarHBondContact OE2-NH2 2.82Å
308	D	88.9	Confident	90.6	Very high	62 Å²	62	59.3 Å²	59.3	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-64.2	-32.6	-179.4	-71.4	-20	0	0	0	111.4	Q304 Q312 R427	Q304-D308 PolarHBondContact NE2-OD1 2.89Å; Q304-D308 PolarHBondContact NE2-OD2 2.82Å; Q304-D308 VanDerWaalsContact O-CB 3.27Å; Q304-D308 WeakPolarHBondContact O-CB 3.32Å; Q304-D308 PolarHBondContact O-N 3.22Å; D308-Q312 VanDerWaalsContact O-CG 3.31Å; D308-Q312 WeakPolarHBondContact O-CG 3.44Å; D308-Q312 PolarHBondContact O-N 2.68Å; D308-R427 IonicContact OD1-CZ 3.11Å; D308-R427 IonicContact OD1-NH1 2.68Å; D308-R427 IonicContact OD1-NH2 2.84Å; D308-R427 PolarHBondContact OD1-NH2 3.46Å
309	S	92.2	Very high	90.7	Very high	77 Å²	77	54.5 Å²	54.5	54%	0.538	29%	0.287	S	S	.	.	H	α-helix	trans	-68.9	-44.6	173.3	-172.3	0	0	0	0	111.9	L305 E306 E307 Q312 E313	L305-S309 WeakPolarHBondContact O-CB 3.06Å; L305-S309 PolarHBondContact O-N 3.44Å; E306-S309 PolarHBondContact O-N 3.37Å; E307-S309 VanDerWaalsContact C-N 3.26Å; E307-S309 PolarHBondContact O-N 3.03Å; S309-Q312 PolarHBondContact O-N 3.33Å; S309-E313 PolarHBondContact O-N 3.29Å
310	L	91.5	Very high	90.9	Very high	24 Å²	24	56 Å²	56	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-44.8	176.4	-176	69.4	0	0	0	110.9	F284 E287 E288 E306 E307 Q312 E313 F314	F284-L310 HydrophobicContact CD2-CD2 4.33Å; F284-L310 HydrophobicContact CD2-CG 4.18Å; F284-L310 HydrophobicContact CE2-CD2 4Å; F284-L310 HydrophobicContact CE2-CG 3.89Å; E287-L310 HydrophobicContact CB-CD1 3.85Å; E287-L310 HydrophobicContact CB-CD2 4.17Å; E288-L310 HydrophobicContact CB-CD2 4.13Å; E306-L310 WeakPolarHBondContact O-CB 3.2Å; E306-L310 PolarHBondContact O-N 2.84Å; E307-L310 PolarHBondContact O-N 3.49Å; L310-Q312 PolarHBondContact O-N 3.36Å; L310-E313 PolarHBondContact O-N 2.9Å; L310-F314 HydrophobicContact CD1-CD2 3.85Å; L310-F314 HydrophobicContact CD1-CE2 3.68Å; L310-F314 HydrophobicContact CG-CD2 4.27Å; L310-F314 HydrophobicContact CG-CE2 4.5Å; L310-F314 WeakPolarHBondContact O-CD2 3.46Å; L310-F314 PolarHBondContact O-N 2.97Å
311	V	90.4	Very high	91.1	Very high	17 Å²	17	54.3 Å²	54.3	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-46.7	174.5	164.5	0	0	0	0	111.4	F284 E307 E313 F314 L315 I423	F284-V311 HydrophobicContact CE2-CG2 4.28Å; F284-V311 HydrophobicContact CZ-CG2 4.08Å; E307-V311 WeakPolarHBondContact O-CB 3.33Å; E307-V311 VanDerWaalsContact O-CG2 3.31Å; E307-V311 WeakPolarHBondContact O-CG2 3.25Å; E307-V311 PolarHBondContact O-N 2.99Å; V311-E313 PolarHBondContact O-N 2.66Å; V311-F314 PolarHBondContact O-N 2.91Å; V311-L315 WeakPolarHBondContact O-CB 3.28Å; V311-L315 PolarHBondContact O-N 3.05Å; V311-I423 HydrophobicContact CG1-CG2 4.18Å; V311-I423 HydrophobicContact CG2-CG2 3.92Å
312	Q	91.2	Very high	91.2	Very high	111 Å²	111	50.4 Å²	50.4	52%	0.519	26%	0.255	S	S	.	.	H	α-helix	trans	-66	-36.7	178	-72.8	-62	-54.2	0	0	112.9	D308 S309 L310 S316	D308-Q312 VanDerWaalsContact O-CG 3.31Å; D308-Q312 WeakPolarHBondContact O-CG 3.44Å; D308-Q312 PolarHBondContact O-N 2.68Å; S309-Q312 PolarHBondContact O-N 3.33Å; L310-Q312 PolarHBondContact O-N 3.36Å; Q312-S316 PolarHBondContact O-N 3.11Å; Q312-S316 VanDerWaalsContact O-N 3.1Å
313	E	93.9	Very high	91.4	Very high	97 Å²	97	48.4 Å²	48.4	45%	0.453	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-47	175.7	-169.8	179	139.5	0	0	111.5	S309 L310 V311 S316 K317	S309-E313 PolarHBondContact O-N 3.29Å; L310-E313 PolarHBondContact O-N 2.9Å; V311-E313 PolarHBondContact O-N 2.66Å; E313-S316 VanDerWaalsContact O-CB 3.31Å; E313-S316 WeakPolarHBondContact O-CB 3.45Å; E313-S316 PolarHBondContact O-N 2.99Å; E313-K317 WeakPolarHBondContact O-CG 3.04Å; E313-K317 PolarHBondContact O-N 2.85Å; E313-K317 WeakPolarHBondContact OE1-CE 3.08Å; E313-K317 IonicContact OE1-NZ 2.69Å; E313-K317 PolarHBondContact OE1-NZ 3.46Å
314	F	94.9	Very high	91.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.7	-35.4	179.8	-85.9	-96.4	0	0	0	113.4	L280 K283 F284 E287 L310 V311 S316 K317 F318 I423	L280-F314 HydrophobicContact CD2-CE1 4.48Å; L280-F314 WeakPolarHBondContact O-CE1 3.29Å; K283-F314 HydrophobicContact CB-CE1 3.8Å; K283-F314 HydrophobicContact CB-CZ 3.87Å; F284-F314 HydrophobicContact CB-CD1 3.69Å; F284-F314 HydrophobicContact CB-CE1 3.8Å; F284-F314 HydrophobicContact CB-CG 4.11Å; F284-F314 HydrophobicContact CB-CZ 4.31Å; F284-F314 HydrophobicContact CD2-CB 3.71Å; F284-F314 HydrophobicContact CD2-CD1 4.02Å; F284-F314 AromaticContact CD2-CD2 3.71Å; F284-F314 HydrophobicContact CD2-CD2 3.71Å; F284-F314 HydrophobicContact CD2-CE2 4.31Å; F284-F314 AromaticContact CD2-CG 3.52Å; F284-F314 HydrophobicContact CD2-CG 3.52Å; F284-F314 HydrophobicContact CE2-CB 4.24Å; F284-F314 HydrophobicContact CE2-CD2 4.48Å; F284-F314 HydrophobicContact CE2-CG 4.41Å; F284-F314 HydrophobicContact CG-CD1 4.29Å; F284-F314 HydrophobicContact CG-CG 4.23Å; E287-F314 WeakPolarHBondContact OE1-CZ 3.18Å; E287-F314 VanDerWaalsContact OE2-CE2 3.31Å; E287-F314 WeakPolarHBondContact OE2-CE2 3.32Å; L310-F314 HydrophobicContact CD1-CD2 3.85Å; L310-F314 HydrophobicContact CD1-CE2 3.68Å; L310-F314 HydrophobicContact CG-CD2 4.27Å; L310-F314 HydrophobicContact CG-CE2 4.5Å; L310-F314 WeakPolarHBondContact O-CD2 3.46Å; L310-F314 PolarHBondContact O-N 2.97Å; V311-F314 PolarHBondContact O-N 2.91Å; F314-S316 PolarHBondContact O-N 3.49Å; F314-K317 HydrophobicContact CD1-CD 3.94Å; F314-K317 HydrophobicContact CD2-CD 4.3Å; F314-K317 HydrophobicContact CE1-CD 3.96Å; F314-K317 HydrophobicContact CE2-CD 4.31Å; F314-K317 VanDerWaalsContact CE2-NZ 3.27Å; F314-K317 HydrophobicContact CG-CD 4.14Å; F314-K317 HydrophobicContact CZ-CD 4.16Å; F314-K317 WeakPolarHBondContact O-CB 3.46Å; F314-K317 PolarHBondContact O-N 3.28Å; F314-F318 HydrophobicContact CB-CD2 4.47Å; F314-F318 HydrophobicContact CB-CE2 4.39Å; F314-F318 HydrophobicContact CD1-CE2 4.33Å; F314-F318 WeakPolarHBondContact O-CD2 3.44Å; F314-F318 PolarHBondContact O-N 3.04Å; F314-I423 HydrophobicContact CB-CD1 4.46Å
315	L	92.4	Very high	91.7	Very high	24 Å²	24	51.5 Å²	51.5	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-54.1	-45.2	167.9	179.1	59.8	0	0	0	110.2	V311 K317 V319 A419 E420 I423	V311-L315 WeakPolarHBondContact O-CB 3.28Å; V311-L315 PolarHBondContact O-N 3.05Å; L315-K317 PolarHBondContact O-N 3.03Å; L315-V319 HydrophobicContact CD1-CG2 4.13Å; L315-V319 VanDerWaalsContact O-CB 3.3Å; L315-V319 WeakPolarHBondContact O-CB 3.34Å; L315-V319 WeakPolarHBondContact O-CG2 3.04Å; L315-V319 PolarHBondContact O-N 3.43Å; L315-A419 HydrophobicContact CD1-CB 3.6Å; L315-E420 HydrophobicContact CD1-CG 4.2Å; L315-I423 HydrophobicContact CB-CD1 3.99Å
316	S	93	Very high	91.6	Very high	49 Å²	49	47.9 Å²	47.9	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-40	174.2	-161.2	0	0	0	0	113.1	Q312 E313 F314 K320	Q312-S316 PolarHBondContact O-N 3.11Å; Q312-S316 VanDerWaalsContact O-N 3.1Å; E313-S316 VanDerWaalsContact O-CB 3.31Å; E313-S316 WeakPolarHBondContact O-CB 3.45Å; E313-S316 PolarHBondContact O-N 2.99Å; F314-S316 PolarHBondContact O-N 3.49Å; S316-K320 WeakPolarHBondContact O-CB 3.4Å; S316-K320 VanDerWaalsContact O-CD 3.3Å; S316-K320 WeakPolarHBondContact O-CD 3.48Å; S316-K320 WeakPolarHBondContact O-CG 3.28Å; S316-K320 PolarHBondContact O-N 2.98Å; S316-K320 VanDerWaalsContact O-N 3.08Å; S316-K320 WeakPolarHBondContact OG-CE 3.31Å; S316-K320 PolarHBondContact OG-NZ 3.17Å
317	K	95.1	Very high	91.6	Very high	44 Å²	44	48 Å²	48	19%	0.191	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-48.7	177.5	-69.9	168.9	-178.6	162.5	0	111.9	L280 E313 F314 L315 K320 L321	L280-K317 HydrophobicContact CD1-CB 4.19Å; L280-K317 HydrophobicContact CD2-CB 4.19Å; L280-K317 HydrophobicContact CD2-CD 4.31Å; E313-K317 WeakPolarHBondContact O-CG 3.04Å; E313-K317 PolarHBondContact O-N 2.85Å; E313-K317 WeakPolarHBondContact OE1-CE 3.08Å; E313-K317 IonicContact OE1-NZ 2.69Å; E313-K317 PolarHBondContact OE1-NZ 3.46Å; F314-K317 HydrophobicContact CD1-CD 3.94Å; F314-K317 HydrophobicContact CD2-CD 4.3Å; F314-K317 HydrophobicContact CE1-CD 3.96Å; F314-K317 HydrophobicContact CE2-CD 4.31Å; F314-K317 VanDerWaalsContact CE2-NZ 3.27Å; F314-K317 HydrophobicContact CG-CD 4.14Å; F314-K317 HydrophobicContact CZ-CD 4.16Å; F314-K317 WeakPolarHBondContact O-CB 3.46Å; F314-K317 PolarHBondContact O-N 3.28Å; L315-K317 PolarHBondContact O-N 3.03Å; K317-K320 PolarHBondContact O-N 2.87Å; K317-L321 PolarHBondContact O-N 3.03Å; K317-L321 VanDerWaalsContact O-N 3.09Å
318	F	94.8	Very high	91.6	Very high	6 Å²	6	49 Å²	49	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-46.1	177.6	-75.8	-68.2	0	0	0	112	L280 E281 F314 K320 L321 E322 A419 I422 I423	L280-F318 HydrophobicContact CB-CD1 4.23Å; L280-F318 HydrophobicContact CB-CE1 3.52Å; L280-F318 HydrophobicContact CB-CE2 4.34Å; L280-F318 HydrophobicContact CB-CZ 3.58Å; L280-F318 HydrophobicContact CD1-CD1 3.82Å; L280-F318 HydrophobicContact CD1-CE1 3.98Å; L280-F318 HydrophobicContact CD1-CG 4.29Å; L280-F318 HydrophobicContact CG-CE1 4.41Å; E281-F318 HydrophobicContact CG-CZ 4.22Å; F314-F318 HydrophobicContact CB-CD2 4.47Å; F314-F318 HydrophobicContact CB-CE2 4.39Å; F314-F318 HydrophobicContact CD1-CE2 4.33Å; F314-F318 WeakPolarHBondContact O-CD2 3.44Å; F314-F318 PolarHBondContact O-N 3.04Å; F318-K320 VanDerWaalsContact C-N 3.3Å; F318-K320 PolarHBondContact O-N 3.45Å; F318-L321 WeakPolarHBondContact O-CB 3.33Å; F318-L321 PolarHBondContact O-N 2.69Å; F318-L321 VanDerWaalsContact O-N 3.13Å; F318-E322 PolarHBondContact O-N 3.22Å; F318-A419 HydrophobicContact CB-CB 3.64Å; F318-A419 HydrophobicContact CG-CB 4.38Å; F318-I422 HydrophobicContact CD1-CD1 4.29Å; F318-I422 HydrophobicContact CE1-CD1 4.27Å; F318-I422 HydrophobicContact CE1-CG2 3.81Å; F318-I422 HydrophobicContact CE2-CG2 3.94Å; F318-I422 HydrophobicContact CZ-CB 4.47Å; F318-I422 HydrophobicContact CZ-CG2 3.44Å; F318-I422 VanDerWaalsContact CZ-CG2 3.44Å; F318-I423 HydrophobicContact CD2-CD1 4.41Å; F318-I423 HydrophobicContact CD2-CG1 4.37Å; F318-I423 HydrophobicContact CE2-CG1 4.22Å
319	V	91.9	Very high	91.5	Very high	21 Å²	21	49.5 Å²	49.5	13%	0.127	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-39.6	177.6	168.9	0	0	0	0	112	L315 N323 V415 A419	L315-V319 HydrophobicContact CD1-CG2 4.13Å; L315-V319 VanDerWaalsContact O-CB 3.3Å; L315-V319 WeakPolarHBondContact O-CB 3.34Å; L315-V319 WeakPolarHBondContact O-CG2 3.04Å; L315-V319 PolarHBondContact O-N 3.43Å; V319-N323 WeakPolarHBondContact O-CB 3.19Å; V319-N323 VanDerWaalsContact O-CG 3.26Å; V319-N323 PolarHBondContact O-N 2.87Å; V319-N323 VanDerWaalsContact O-N 3.1Å; V319-V415 HydrophobicContact CB-CG1 4.15Å; V319-V415 HydrophobicContact CG1-CG1 4.17Å; V319-V415 HydrophobicContact CG2-CG1 4.01Å; V319-A419 HydrophobicContact CG2-CB 4.43Å
320	K	93.7	Very high	91.3	Very high	133 Å²	133	49.8 Å²	49.8	58%	0.578	24%	0.239	S	C	*	.	H	α-helix	trans	-66.9	-38.6	175.6	-75.7	163.7	-179.2	149.9	0	112.6	S316 K317 F318 Q324	S316-K320 WeakPolarHBondContact O-CB 3.4Å; S316-K320 VanDerWaalsContact O-CD 3.3Å; S316-K320 WeakPolarHBondContact O-CD 3.48Å; S316-K320 WeakPolarHBondContact O-CG 3.28Å; S316-K320 PolarHBondContact O-N 2.98Å; S316-K320 VanDerWaalsContact O-N 3.08Å; S316-K320 WeakPolarHBondContact OG-CE 3.31Å; S316-K320 PolarHBondContact OG-NZ 3.17Å; K317-K320 PolarHBondContact O-N 2.87Å; F318-K320 VanDerWaalsContact C-N 3.3Å; F318-K320 PolarHBondContact O-N 3.45Å; K320-Q324 WeakPolarHBondContact O-CB 3.41Å; K320-Q324 PolarHBondContact O-N 2.98Å
321	L	92.6	Very high	91	Very high	24 Å²	24	50.8 Å²	50.8	13%	0.126	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-48.8	179.3	173.3	61.7	0	0	0	111.8	L273 R276 E277 L280 K317 F318 Q324 S325	L273-L321 HydrophobicContact CD1-CD1 4.2Å; L273-L321 HydrophobicContact CD1-CD2 4.09Å; L273-L321 HydrophobicContact CD1-CG 3.76Å; R276-L321 HydrophobicContact CB-CD1 3.73Å; R276-L321 HydrophobicContact CB-CD2 3.66Å; R276-L321 HydrophobicContact CB-CG 4.35Å; R276-L321 HydrophobicContact CG-CD1 4.27Å; E277-L321 HydrophobicContact CG-CD2 3.97Å; L280-L321 HydrophobicContact CD1-CB 4.41Å; L280-L321 HydrophobicContact CD1-CD2 3.8Å; K317-L321 PolarHBondContact O-N 3.03Å; K317-L321 VanDerWaalsContact O-N 3.09Å; F318-L321 WeakPolarHBondContact O-CB 3.33Å; F318-L321 PolarHBondContact O-N 2.69Å; F318-L321 VanDerWaalsContact O-N 3.13Å; L321-Q324 PolarHBondContact O-N 3Å; L321-S325 PolarHBondContact O-N 3.2Å
322	E	91.7	Very high	90.8	Very high	26 Å²	26	50 Å²	50	12%	0.121	24%	0.242	C	C	.	.	H	α-helix	trans	-56.7	-53.1	173.6	-91.9	-79	-178.1	0	0	111.7	F318 Q324 S325 E326 V415 K418	F318-E322 PolarHBondContact O-N 3.22Å; E322-Q324 PolarHBondContact O-N 3.08Å; E322-S325 PolarHBondContact O-N 2.84Å; E322-S325 VanDerWaalsContact O-N 3.16Å; E322-E326 WeakPolarHBondContact O-CB 3.43Å; E322-E326 PolarHBondContact O-N 3.05Å; E322-V415 HydrophobicContact CB-CB 4.23Å; E322-V415 HydrophobicContact CB-CG1 3.47Å; E322-V415 VanDerWaalsContact CB-CG1 3.47Å; E322-V415 HydrophobicContact CB-CG2 3.69Å; E322-V415 HydrophobicContact CG-CB 4.46Å; E322-V415 HydrophobicContact CG-CG1 3.92Å; E322-V415 HydrophobicContact CG-CG2 3.96Å; E322-K418 WeakPolarHBondContact OE1-CD 3.2Å; E322-K418 WeakPolarHBondContact OE1-CE 2.98Å; E322-K418 IonicContact OE1-NZ 3.45Å; E322-K418 PolarHBondContact OE1-NZ 3.19Å
323	N	91.3	Very high	90.5	Very high	56 Å²	56	47.3 Å²	47.3	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-59.6	-33.4	-179.7	-76.2	-5.4	0	0	0	112.9	V319 Q327 F411 Q412	V319-N323 WeakPolarHBondContact O-CB 3.19Å; V319-N323 VanDerWaalsContact O-CG 3.26Å; V319-N323 PolarHBondContact O-N 2.87Å; V319-N323 VanDerWaalsContact O-N 3.1Å; N323-Q327 PolarHBondContact O-N 2.05Å; N323-F411 WeakPolarHBondContact OD1-CE1 3.44Å; N323-Q412 PolarHBondContact ND2-OE1 2.86Å
324	Q	89.6	Confident	89.9	Confident	76 Å²	76	46.2 Å²	46.2	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-69.5	-52.9	173.2	-180	56.9	56	0	0	111.3	K320 L321 E322 E326 Q327 D328	K320-Q324 WeakPolarHBondContact O-CB 3.41Å; K320-Q324 PolarHBondContact O-N 2.98Å; L321-Q324 PolarHBondContact O-N 3Å; E322-Q324 PolarHBondContact O-N 3.08Å; Q324-E326 PolarHBondContact O-N 3.48Å; Q324-Q327 WeakPolarHBondContact O-CA 3.09Å; Q324-Q327 WeakPolarHBondContact O-CB 3.15Å; Q324-Q327 PolarHBondContact O-N 3.42Å; Q324-D328 PolarHBondContact NE2-OD1 2.83Å; Q324-D328 PolarHBondContact NE2-OD2 3.11Å; Q324-D328 PolarHBondContact O-N 2.94Å; Q324-D328 VanDerWaalsContact O-OD2 3.05Å
325	S	90.1	Very high	89.2	Confident	14 Å²	14	48 Å²	48	10%	0.098	24%	0.238	C	C	.	.	H	α-helix	trans	-55.4	-36.1	178.9	-177.9	0	0	0	0	112.7	L321 E322 D328 R329	L321-S325 PolarHBondContact O-N 3.2Å; E322-S325 PolarHBondContact O-N 2.84Å; E322-S325 VanDerWaalsContact O-N 3.16Å; S325-D328 PolarHBondContact O-N 2.68Å; S325-R329 PolarHBondContact O-N 2.76Å
326	E	88.1	Confident	88.8	Confident	34 Å²	34	47.3 Å²	47.3	16%	0.159	23%	0.234	C	C	.	.	H	α-helix	trans	-76	-29.3	176.9	-94	-82.2	144.5	0	0	114.2	E322 Q324 R329 K330 F411	E322-E326 WeakPolarHBondContact O-CB 3.43Å; E322-E326 PolarHBondContact O-N 3.05Å; Q324-E326 PolarHBondContact O-N 3.48Å; E326-R329 IonicContact OE1-CZ 3.79Å; E326-R329 IonicContact OE1-NE 2.73Å; E326-R329 PolarHBondContact OE1-NE 3.15Å; E326-R329 IonicContact OE1-NH2 3.76Å; E326-R329 PolarHBondContact OE1-NH2 2.9Å; E326-R329 IonicContact OE2-CZ 3.62Å; E326-R329 IonicContact OE2-NE 3.95Å; E326-R329 IonicContact OE2-NH2 2.74Å; E326-R329 PolarHBondContact OE2-NH2 3.43Å; E326-K330 VanDerWaalsContact O-CD 3.27Å; E326-K330 WeakPolarHBondContact O-CD 3.4Å; E326-K330 VanDerWaalsContact O-CG 3.23Å; E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 3.06Å; E326-K330 VanDerWaalsContact O-N 3.13Å; E326-K330 WeakPolarHBondContact OE2-CE 3.47Å; E326-K330 IonicContact OE2-NZ 3.62Å; E326-K330 PolarHBondContact OE2-NZ 3.1Å; E326-F411 HydrophobicContact CB-CE1 4.08Å; E326-F411 HydrophobicContact CB-CE2 4.25Å; E326-F411 HydrophobicContact CB-CZ 3.59Å; E326-F411 HydrophobicContact CG-CE1 4.3Å; E326-F411 HydrophobicContact CG-CE2 3.57Å; E326-F411 HydrophobicContact CG-CZ 3.42Å; E326-F411 VanDerWaalsContact CG-CZ 3.42Å
327	Q	88.4	Confident	88.1	Confident	110 Å²	110	48.4 Å²	48.4	51%	0.514	23%	0.234	S	C	.	.	H	α-helix	trans	-69.5	-36.3	168.2	-176.7	60.7	19.4	0	0	111.3	N323 Q324 T331	N323-Q327 PolarHBondContact O-N 2.05Å; Q324-Q327 WeakPolarHBondContact O-CA 3.09Å; Q324-Q327 WeakPolarHBondContact O-CB 3.15Å; Q324-Q327 PolarHBondContact O-N 3.42Å; Q327-T331 WeakPolarHBondContact O-CB 3.46Å; Q327-T331 PolarHBondContact O-N 3.12Å; Q327-T331 PolarHBondContact O-OG1 3.46Å
328	D	87.1	Confident	87.1	Confident	24 Å²	24	48 Å²	48	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-69.3	-41.9	175.4	-63	-41	0	0	0	111.4	M201 L269 Q324 S325 K330 T331 L332	M201-D328 WeakPolarHBondContact CE-OD1 3.39Å; M201-D328 WeakPolarHBondContact CE-OD2 3.29Å; L269-D328 HydrophobicContact CD1-CB 3.95Å; L269-D328 HydrophobicContact CD2-CB 4.24Å; Q324-D328 PolarHBondContact NE2-OD1 2.83Å; Q324-D328 PolarHBondContact NE2-OD2 3.11Å; Q324-D328 PolarHBondContact O-N 2.94Å; Q324-D328 VanDerWaalsContact O-OD2 3.05Å; S325-D328 PolarHBondContact O-N 2.68Å; D328-K330 PolarHBondContact O-N 3.23Å; D328-T331 WeakPolarHBondContact O-CB 3.23Å; D328-T331 PolarHBondContact O-N 2.91Å; D328-L332 WeakPolarHBondContact O-CB 3.36Å; D328-L332 PolarHBondContact O-N 3.35Å
329	R	87.7	Confident	86.2	Confident	72 Å²	72	48.9 Å²	48.9	27%	0.272	24%	0.236	S	C	.	.	H	α-helix	trans	-59.2	-45.9	173.3	-174.8	179.9	66.5	82.5	1	111.7	L269 S325 E326 T331 L332 E333	L269-R329 HydrophobicContact CD2-CB 3.96Å; S325-R329 PolarHBondContact O-N 2.76Å; E326-R329 IonicContact OE1-CZ 3.79Å; E326-R329 IonicContact OE1-NE 2.73Å; E326-R329 PolarHBondContact OE1-NE 3.15Å; E326-R329 IonicContact OE1-NH2 3.76Å; E326-R329 PolarHBondContact OE1-NH2 2.9Å; E326-R329 IonicContact OE2-CZ 3.62Å; E326-R329 IonicContact OE2-NE 3.95Å; E326-R329 IonicContact OE2-NH2 2.74Å; E326-R329 PolarHBondContact OE2-NH2 3.43Å; R329-T331 VanDerWaalsContact C-N 3.28Å; R329-T331 PolarHBondContact O-N 3.11Å; R329-L332 WeakPolarHBondContact O-CB 3.41Å; R329-L332 PolarHBondContact O-N 2.92Å; R329-E333 WeakPolarHBondContact CD-OE1 3.49Å; R329-E333 HydrophobicContact CG-CG 4.46Å; R329-E333 WeakPolarHBondContact CG-OE1 3.03Å; R329-E333 IonicContact CZ-OE1 2.64Å; R329-E333 IonicContact CZ-OE2 3.41Å; R329-E333 IonicContact NE-OE1 2.79Å; R329-E333 IonicContact NH1-OE1 2.62Å; R329-E333 PolarHBondContact NH1-OE1 2.54Å; R329-E333 IonicContact NH1-OE2 3.9Å; R329-E333 PolarHBondContact NH1-OE2 3.28Å; R329-E333 WeakPolarHBondContact O-CB 3.47Å; R329-E333 WeakPolarHBondContact O-CG 3.49Å; R329-E333 PolarHBondContact O-N 2.84Å
330	K	87.8	Confident	85.4	Confident	83 Å²	83	49.6 Å²	49.6	36%	0.361	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-37.9	177.4	-73.5	162.2	-173.1	127.3	0	111.7	E326 D328 T334	E326-K330 VanDerWaalsContact O-CD 3.27Å; E326-K330 WeakPolarHBondContact O-CD 3.4Å; E326-K330 VanDerWaalsContact O-CG 3.23Å; E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 3.06Å; E326-K330 VanDerWaalsContact O-N 3.13Å; E326-K330 WeakPolarHBondContact OE2-CE 3.47Å; E326-K330 IonicContact OE2-NZ 3.62Å; E326-K330 PolarHBondContact OE2-NZ 3.1Å; D328-K330 PolarHBondContact O-N 3.23Å; K330-T334 WeakPolarHBondContact O-CB 3.45Å; K330-T334 PolarHBondContact O-N 3.44Å; K330-T334 PolarHBondContact O-OG1 3.34Å
331	T	85.8	Confident	84.4	Confident	45 Å²	45	46.3 Å²	46.3	28%	0.276	23%	0.225	S	C	.	.	H	α-helix	trans	-66.8	-43.3	175.6	-61.3	0	0	0	0	111.3	L243 Q327 D328 R329 T334 I335	L243-T331 HydrophobicContact CD2-CG2 4.24Å; Q327-T331 WeakPolarHBondContact O-CB 3.46Å; Q327-T331 PolarHBondContact O-N 3.12Å; Q327-T331 PolarHBondContact O-OG1 3.46Å; D328-T331 WeakPolarHBondContact O-CB 3.23Å; D328-T331 PolarHBondContact O-N 2.91Å; R329-T331 VanDerWaalsContact C-N 3.28Å; R329-T331 PolarHBondContact O-N 3.11Å; T331-T334 PolarHBondContact O-N 3.31Å; T331-I335 HydrophobicContact CG2-CD1 3.91Å; T331-I335 WeakPolarHBondContact O-CB 3.41Å; T331-I335 WeakPolarHBondContact O-CG1 3.26Å; T331-I335 PolarHBondContact O-N 3.09Å
332	L	85.2	Confident	83.4	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-49.4	175.9	-164	80.2	0	0	0	112	Y242 L243 Y262 A265 K266 D328 R329 I335 H336	Y242-L332 HydrophobicContact CD1-CD1 3.26Å; Y242-L332 HydrophobicContact CD1-CG 4.32Å; Y242-L332 HydrophobicContact CE1-CD1 3.56Å; Y242-L332 HydrophobicContact CE1-CG 4.16Å; Y242-L332 HydrophobicContact CG-CD1 4.14Å; L243-L332 HydrophobicContact CD2-CD1 4.4Å; Y262-L332 HydrophobicContact CD2-CD2 3.97Å; Y262-L332 HydrophobicContact CD2-CG 3.96Å; Y262-L332 HydrophobicContact CE2-CD2 3.74Å; Y262-L332 HydrophobicContact CE2-CG 3.9Å; A265-L332 HydrophobicContact CB-CD1 3.79Å; A265-L332 HydrophobicContact CB-CD2 4.22Å; K266-L332 HydrophobicContact CB-CD2 3.96Å; D328-L332 WeakPolarHBondContact O-CB 3.36Å; D328-L332 PolarHBondContact O-N 3.35Å; R329-L332 WeakPolarHBondContact O-CB 3.41Å; R329-L332 PolarHBondContact O-N 2.92Å; L332-I335 PolarHBondContact O-N 2.92Å; L332-H336 WeakPolarHBondContact O-CB 3.35Å; L332-H336 PolarHBondContact O-N 3.22Å
333	E	85.2	Confident	82.6	Confident	55 Å²	55	47.7 Å²	47.7	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-63.9	-40.9	178.5	-79.2	168.3	-170.3	0	0	111.9	Y262 K266 R329 H336 H337	Y262-E333 HydrophobicContact CE2-CG 4.17Å; Y262-E333 WeakPolarHBondContact OH-CG 3.49Å; K266-E333 IonicContact NZ-OE1 2.61Å; K266-E333 PolarHBondContact NZ-OE1 2.92Å; R329-E333 WeakPolarHBondContact CD-OE1 3.49Å; R329-E333 HydrophobicContact CG-CG 4.46Å; R329-E333 WeakPolarHBondContact CG-OE1 3.03Å; R329-E333 IonicContact CZ-OE1 2.64Å; R329-E333 IonicContact CZ-OE2 3.41Å; R329-E333 IonicContact NE-OE1 2.79Å; R329-E333 IonicContact NH1-OE1 2.62Å; R329-E333 PolarHBondContact NH1-OE1 2.54Å; R329-E333 IonicContact NH1-OE2 3.9Å; R329-E333 PolarHBondContact NH1-OE2 3.28Å; R329-E333 WeakPolarHBondContact O-CB 3.47Å; R329-E333 WeakPolarHBondContact O-CG 3.49Å; R329-E333 PolarHBondContact O-N 2.84Å; E333-H336 PolarHBondContact O-N 2.04Å; E333-H337 WeakPolarHBondContact O-CB 3.31Å; E333-H337 PolarHBondContact O-N 2.86Å
334	T	81.2	Confident	81.7	Confident	74 Å²	74	47 Å²	47	45%	0.454	23%	0.229	S	C	.	.	H	α-helix	trans	-61.5	-48.8	175.3	-64.8	0	0	0	0	111.6	K330 T331 H336 H337 Q338	K330-T334 WeakPolarHBondContact O-CB 3.45Å; K330-T334 PolarHBondContact O-N 3.44Å; K330-T334 PolarHBondContact O-OG1 3.34Å; T331-T334 PolarHBondContact O-N 3.31Å; T334-H336 VanDerWaalsContact C-N 3.35Å; T334-H336 PolarHBondContact O-N 2.88Å; T334-H337 PolarHBondContact O-N 3.47Å; T334-Q338 WeakPolarHBondContact O-CG 3.43Å; T334-Q338 PolarHBondContact O-N 3.03Å; T334-Q338 VanDerWaalsContact O-N 3.12Å
335	I	80.9	Confident	80.8	Confident	37 Å²	37	43.8 Å²	43.8	19%	0.19	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-37.1	179.4	-73.8	166.3	0	0	0	111.5	Y242 L243 T331 L332 R339	Y242-I335 HydrophobicContact CE1-CG2 3.97Å; L243-I335 HydrophobicContact CD2-CD1 3.47Å; L243-I335 VanDerWaalsContact CD2-CD1 3.47Å; T331-I335 HydrophobicContact CG2-CD1 3.91Å; T331-I335 WeakPolarHBondContact O-CB 3.41Å; T331-I335 WeakPolarHBondContact O-CG1 3.26Å; T331-I335 PolarHBondContact O-N 3.09Å; L332-I335 PolarHBondContact O-N 2.92Å; I335-R339 VanDerWaalsContact CG2-CZ 3.5Å; I335-R339 VanDerWaalsContact O-CG 3.28Å; I335-R339 WeakPolarHBondContact O-CG 3.25Å; I335-R339 PolarHBondContact O-N 2.94Å; I335-R339 VanDerWaalsContact O-N 3.1Å
336	H	83.3	Confident	80.1	Confident	9 Å²	9	47.3 Å²	47.3	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-47.9	175.2	-177.6	50.2	0	0	0	111.9	Y242 E258 Y262 L332 E333 T334 Q338 R339 I340 Y654	Y242-H336 WeakPolarHBondContact OH-CA 3.27Å; Y242-H336 VanDerWaalsContact OH-CB 3.31Å; Y242-H336 WeakPolarHBondContact OH-CB 3.23Å; Y242-H336 PolarHBondContact OH-N 3.43Å; E258-H336 IonicContact OE1-ND1 3.11Å; E258-H336 PolarHBondContact OE1-ND1 2.85Å; Y262-H336 WeakPolarHBondContact CB-ND1 3.33Å; Y262-H336 AromaticContact CD1-CD2 3.36Å; Y262-H336 WeakPolarHBondContact CD1-CD2 3.43Å; Y262-H336 AromaticContact CD1-CE1 3.9Å; Y262-H336 AromaticContact CD1-CG 3.78Å; Y262-H336 AromaticContact CD1-NE2 3.46Å; Y262-H336 WeakPolarHBondContact CD1-NE2 3.21Å; Y262-H336 HydrophobicContact CD2-CB 3.63Å; Y262-H336 AromaticContact CD2-CD2 4Å; Y262-H336 AromaticContact CD2-CG 3.69Å; Y262-H336 AromaticContact CE1-CD2 3.64Å; Y262-H336 HydrophobicContact CE2-CB 4.03Å; Y262-H336 HydrophobicContact CG-CB 3.94Å; Y262-H336 AromaticContact CG-CD2 3.56Å; Y262-H336 AromaticContact CG-CE1 3.93Å; Y262-H336 AromaticContact CG-CG 3.45Å; Y262-H336 VanDerWaalsContact CG-CG 3.45Å; Y262-H336 AromaticContact CG-ND1 3.68Å; Y262-H336 AromaticContact CG-NE2 3.88Å; L332-H336 WeakPolarHBondContact O-CB 3.35Å; L332-H336 PolarHBondContact O-N 3.22Å; E333-H336 PolarHBondContact O-N 2.04Å; T334-H336 VanDerWaalsContact C-N 3.35Å; T334-H336 PolarHBondContact O-N 2.88Å; H336-Q338 PolarHBondContact O-N 3.22Å; H336-R339 PolarHBondContact O-N 2.97Å; H336-I340 WeakPolarHBondContact O-CG1 3.4Å; H336-I340 PolarHBondContact O-N 3.42Å; H336-Y654 PolarHBondContact CD2-OH 3.17Å; H336-Y654 AromaticContact NE2-CZ 3.82Å; H336-Y654 PolarHBondContact NE2-OH 2.82Å
337	H	77.6	Confident	79.3	Confident	72 Å²	72	49.9 Å²	49.9	33%	0.333	24%	0.238	S	C	.	.	H	α-helix	trans	-56.4	-50	177.3	-172.4	77.3	0	0	0	111.6	E333 T334 R339 I340 E341	E333-H337 WeakPolarHBondContact O-CB 3.31Å; E333-H337 PolarHBondContact O-N 2.86Å; T334-H337 PolarHBondContact O-N 3.47Å; H337-R339 VanDerWaalsContact C-N 3.31Å; H337-R339 PolarHBondContact O-N 3.41Å; H337-I340 PolarHBondContact O-N 3.44Å; H337-I340 VanDerWaalsContact O-N 3.11Å; H337-E341 PolarHBondContact O-N 3.17Å
338	Q	74.1	Confident	78.4	Confident	36 Å²	36	47.8 Å²	47.8	17%	0.168	23%	0.225	C	C	.	.	H	α-helix	trans	-58.1	-38.7	178.4	-69.4	167.8	3.1	0	0	113.3	F120 T334 H336 A342	F120-Q338 HydrophobicContact CD1-CB 3.61Å; F120-Q338 HydrophobicContact CD1-CG 3.6Å; F120-Q338 HydrophobicContact CD2-CG 4.25Å; F120-Q338 HydrophobicContact CE1-CB 3.54Å; F120-Q338 HydrophobicContact CE1-CG 3.26Å; F120-Q338 VanDerWaalsContact CE1-OE1 3.29Å; F120-Q338 HydrophobicContact CE2-CG 3.98Å; F120-Q338 HydrophobicContact CG-CB 4.41Å; F120-Q338 HydrophobicContact CG-CG 4.1Å; F120-Q338 HydrophobicContact CZ-CB 4.3Å; F120-Q338 HydrophobicContact CZ-CG 3.51Å; T334-Q338 WeakPolarHBondContact O-CG 3.43Å; T334-Q338 PolarHBondContact O-N 3.03Å; T334-Q338 VanDerWaalsContact O-N 3.12Å; H336-Q338 PolarHBondContact O-N 3.22Å; Q338-A342 WeakPolarHBondContact O-CB 3.2Å; Q338-A342 PolarHBondContact O-N 2.96Å; Q338-A342 VanDerWaalsContact O-N 3.09Å
339	R	77.3	Confident	77.8	Confident	25 Å²	25	46.8 Å²	46.8	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-37.5	176.8	-73.1	170.1	-180	-177	2.9	112.1	Y242 L243 F245 E258 R261 I335 H336 H337 Q343	Y242-R339 VanDerWaalsContact CE2-NH1 3.29Å; Y242-R339 PolarHBondContact O-NH1 3.45Å; Y242-R339 PolarHBondContact O-NH2 2.73Å; L243-R339 PolarHBondContact O-NH2 2.89Å; L243-R339 VanDerWaalsContact O-NH2 3.13Å; F245-R339 PolarHBondContact O-NH2 2.94Å; E258-R339 HydrophobicContact CG-CB 4.09Å; E258-R339 WeakPolarHBondContact OE1-CD 3.28Å; E258-R339 IonicContact OE1-NH1 3.8Å; E258-R339 IonicContact OE2-NH1 2.65Å; R261-R339 VanDerWaalsContact NH1-NH1 3.15Å; I335-R339 VanDerWaalsContact CG2-CZ 3.5Å; I335-R339 VanDerWaalsContact O-CG 3.28Å; I335-R339 WeakPolarHBondContact O-CG 3.25Å; I335-R339 PolarHBondContact O-N 2.94Å; I335-R339 VanDerWaalsContact O-N 3.1Å; H336-R339 PolarHBondContact O-N 2.97Å; H337-R339 VanDerWaalsContact C-N 3.31Å; H337-R339 PolarHBondContact O-N 3.41Å; R339-Q343 WeakPolarHBondContact O-CG 3.25Å; R339-Q343 PolarHBondContact O-N 2.71Å
340	I	74.2	Confident	77	Confident	35 Å²	35	44.7 Å²	44.7	18%	0.179	22%	0.218	C	C	.	.	H	α-helix	trans	-69.4	-42.6	175.8	-66.6	-66.6	0	0	0	111.1	E258 H336 H337 A342 Q343 M344 Y654	E258-I340 HydrophobicContact CG-CD1 4.25Å; H336-I340 WeakPolarHBondContact O-CG1 3.4Å; H336-I340 PolarHBondContact O-N 3.42Å; H337-I340 PolarHBondContact O-N 3.44Å; H337-I340 VanDerWaalsContact O-N 3.11Å; I340-A342 VanDerWaalsContact C-N 3.33Å; I340-A342 PolarHBondContact O-N 3.1Å; I340-Q343 PolarHBondContact O-N 2.73Å; I340-M344 HydrophobicContact CG2-CG 4.28Å; I340-M344 WeakPolarHBondContact O-CB 3.33Å; I340-M344 VanDerWaalsContact O-CG 3.26Å; I340-M344 WeakPolarHBondContact O-CG 3.43Å; I340-M344 PolarHBondContact O-N 3.15Å; I340-Y654 HydrophobicContact CG2-CE2 4.23Å
341	E	72.1	Confident	76.1	Confident	64 Å²	64	42 Å²	42	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-58.1	-45.1	173.4	-70.4	-162	117.6	0	0	112	H337 M344 L345	H337-E341 PolarHBondContact O-N 3.17Å; E341-M344 PolarHBondContact O-N 2.57Å; E341-L345 WeakPolarHBondContact O-CB 3.38Å; E341-L345 PolarHBondContact O-N 2.84Å
342	A	73.3	Confident	75.2	Confident	14 Å²	14	40.7 Å²	40.7	12%	0.116	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-43.4	176.6	0	0	0	0	0	112.7	Q338 I340 L345 E346	Q338-A342 WeakPolarHBondContact O-CB 3.2Å; Q338-A342 PolarHBondContact O-N 2.96Å; Q338-A342 VanDerWaalsContact O-N 3.09Å; I340-A342 VanDerWaalsContact C-N 3.33Å; I340-A342 PolarHBondContact O-N 3.1Å; A342-L345 PolarHBondContact O-N 2.84Å; A342-E346 WeakPolarHBondContact O-CB 3.07Å; A342-E346 PolarHBondContact O-N 3.36Å
343	Q	74.5	Confident	74.5	Confident	66 Å²	66	41 Å²	41	31%	0.308	20%	0.199	S	C	.	.	H	α-helix	trans	-66	-37.5	175.7	-74.3	176.3	16.3	0	0	112.6	R339 I340 L345 E346 R347	R339-Q343 WeakPolarHBondContact O-CG 3.25Å; R339-Q343 PolarHBondContact O-N 2.71Å; I340-Q343 PolarHBondContact O-N 2.73Å; Q343-L345 VanDerWaalsContact C-N 3.34Å; Q343-E346 PolarHBondContact O-N 3.02Å; Q343-R347 WeakPolarHBondContact O-CB 3.29Å; Q343-R347 VanDerWaalsContact O-CG 3.26Å; Q343-R347 WeakPolarHBondContact O-CG 3.09Å; Q343-R347 PolarHBondContact O-N 3.48Å
344	M	71.3	Confident	73.7	Confident	41 Å²	41	39.5 Å²	39.5	20%	0.202	20%	0.196	C	C	.	.	H	α-helix	trans	-70	-31.8	176.5	-70.5	-62	-69.3	0	0	112	I340 E341 R348 L388 L651	I340-M344 HydrophobicContact CG2-CG 4.28Å; I340-M344 WeakPolarHBondContact O-CB 3.33Å; I340-M344 VanDerWaalsContact O-CG 3.26Å; I340-M344 WeakPolarHBondContact O-CG 3.43Å; I340-M344 PolarHBondContact O-N 3.15Å; E341-M344 PolarHBondContact O-N 2.57Å; M344-R348 WeakPolarHBondContact O-CB 3.38Å; M344-R348 PolarHBondContact O-N 3.18Å; M344-L388 HydrophobicContact CE-CD2 3.57Å; M344-L651 HydrophobicContact CE-CD1 4.2Å; M344-L651 HydrophobicContact SD-CD1 3.87Å
345	L	71.9	Confident	73	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-69.3	-47.9	170.3	178.7	58.8	0	0	0	112.1	L119 L163 E341 A342 Q343 R347 R348 N349	L119-L345 HydrophobicContact CD1-CD2 3.56Å; L163-L345 HydrophobicContact CB-CD2 4.43Å; L163-L345 HydrophobicContact CD1-CD1 4.16Å; E341-L345 WeakPolarHBondContact O-CB 3.38Å; E341-L345 PolarHBondContact O-N 2.84Å; A342-L345 PolarHBondContact O-N 2.84Å; Q343-L345 VanDerWaalsContact C-N 3.34Å; L345-R347 VanDerWaalsContact C-N 3.3Å; L345-R347 PolarHBondContact O-N 2.86Å; L345-R348 WeakPolarHBondContact O-CB 3.45Å; L345-R348 PolarHBondContact O-N 2.73Å; L345-R348 VanDerWaalsContact O-N 3.08Å; L345-N349 PolarHBondContact O-N 2.93Å; L345-N349 PolarHBondContact O-OD1 3.23Å
346	E	75.3	Confident	72.2	Confident	88 Å²	88	36.4 Å²	36.4	41%	0.411	17%	0.174	S	C	.	.	H	α-helix	trans	-56.5	-45.3	176	-174.2	173	-140.8	0	0	111	A342 Q343 N349 A350	A342-E346 WeakPolarHBondContact O-CB 3.07Å; A342-E346 PolarHBondContact O-N 3.36Å; Q343-E346 PolarHBondContact O-N 3.02Å; E346-N349 PolarHBondContact O-N 3.41Å; E346-A350 WeakPolarHBondContact O-CB 3.14Å; E346-A350 PolarHBondContact O-N 2.72Å
347	R	71.6	Confident	71.4	Confident	89 Å²	89	41 Å²	41	34%	0.336	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-42	172.8	-75.4	174.4	-179.9	-145.9	-3.4	113.2	Q343 L345 A350 M351 W649	Q343-R347 WeakPolarHBondContact O-CB 3.29Å; Q343-R347 VanDerWaalsContact O-CG 3.26Å; Q343-R347 WeakPolarHBondContact O-CG 3.09Å; Q343-R347 PolarHBondContact O-N 3.48Å; L345-R347 VanDerWaalsContact C-N 3.3Å; L345-R347 PolarHBondContact O-N 2.86Å; R347-A350 PolarHBondContact O-N 2.99Å; R347-M351 WeakPolarHBondContact O-CB 3.04Å; R347-M351 PolarHBondContact O-N 3.28Å; R347-W649 HydrophobicContact CB-CE3 4.28Å; R347-W649 HydrophobicContact CB-CH2 4.07Å; R347-W649 HydrophobicContact CB-CZ3 3.62Å; R347-W649 HydrophobicContact CG-CE3 4.26Å; R347-W649 HydrophobicContact CG-CH2 4.24Å; R347-W649 HydrophobicContact CG-CZ3 3.94Å; R347-W649 VanDerWaalsContact O-CH2 3.28Å; R347-W649 WeakPolarHBondContact O-CH2 3.14Å; R347-W649 VanDerWaalsContact O-CZ3 3.31Å; R347-W649 WeakPolarHBondContact O-CZ3 3.26Å
348	R	69.7	Low	70.6	Confident	66 Å²	66	39.9 Å²	39.9	25%	0.249	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-44.8	177.2	-170.9	-174.5	-69	99.8	-7.2	111.1	T117 M344 L345 M351 Q352 E389	T117-R348 VanDerWaalsContact CG2-CZ 3.48Å; M344-R348 WeakPolarHBondContact O-CB 3.38Å; M344-R348 PolarHBondContact O-N 3.18Å; L345-R348 WeakPolarHBondContact O-CB 3.45Å; L345-R348 PolarHBondContact O-N 2.73Å; L345-R348 VanDerWaalsContact O-N 3.08Å; R348-M351 PolarHBondContact O-N 2.98Å; R348-Q352 WeakPolarHBondContact O-CB 3.41Å; R348-Q352 PolarHBondContact O-N 2.95Å; R348-E389 IonicContact CZ-OE2 2.72Å; R348-E389 IonicContact NH2-OE2 2.7Å; R348-E389 PolarHBondContact NH2-OE2 2.96Å
349	N	72.8	Confident	70	Confident	3 Å²	3	39 Å²	39	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-43.4	178.4	-62.5	1.3	0	0	0	111.3	Y141 Y162 L345 E346 Q352 N353	Y141-N349 HydrophobicContact CD1-CB 4.12Å; Y141-N349 HydrophobicContact CE1-CB 4.31Å; Y162-N349 WeakPolarHBondContact CD1-ND2 3.44Å; Y162-N349 HydrophobicContact CE1-CB 3.95Å; Y162-N349 WeakPolarHBondContact CE1-ND2 3.4Å; Y162-N349 PolarHBondContact O-ND2 2.97Å; L345-N349 PolarHBondContact O-N 2.93Å; L345-N349 PolarHBondContact O-OD1 3.23Å; E346-N349 PolarHBondContact O-N 3.41Å; N349-Q352 PolarHBondContact O-N 3.05Å; N349-N353 WeakPolarHBondContact O-CB 3.44Å; N349-N353 PolarHBondContact O-N 2.84Å
350	A	71.4	Confident	69.1	Low	28 Å²	28	42.4 Å²	42.4	23%	0.231	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-39	177.3	0	0	0	0	0	112.9	E346 R347 N353 A354 W649	E346-A350 WeakPolarHBondContact O-CB 3.14Å; E346-A350 PolarHBondContact O-N 2.72Å; R347-A350 PolarHBondContact O-N 2.99Å; A350-N353 WeakPolarHBondContact O-CB 3.19Å; A350-N353 PolarHBondContact O-N 2.8Å; A350-A354 WeakPolarHBondContact O-CB 3.48Å; A350-A354 PolarHBondContact O-N 2.79Å; A350-W649 HydrophobicContact CB-CH2 3.95Å; A350-W649 HydrophobicContact CB-CZ2 4.33Å
351	M	68.9	Low	68.2	Low	26 Å²	26	47 Å²	47	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-43.3	171.9	179.8	-162.5	71.1	0	0	111.5	R347 R348 A354 W355 R381 Y385 I646 W649	R347-M351 WeakPolarHBondContact O-CB 3.04Å; R347-M351 PolarHBondContact O-N 3.28Å; R348-M351 PolarHBondContact O-N 2.98Å; M351-A354 PolarHBondContact O-N 3.14Å; M351-W355 WeakPolarHBondContact O-CB 3.16Å; M351-W355 PolarHBondContact O-N 3Å; M351-R381 HydrophobicContact CE-CG 4.44Å; M351-Y385 HydrophobicContact SD-CD2 4.03Å; M351-Y385 HydrophobicContact SD-CE1 4.18Å; M351-Y385 HydrophobicContact SD-CE2 3.36Å; M351-Y385 WeakPolarHBondContact SD-CE2 3.31Å; M351-I646 HydrophobicContact CG-CD1 4.39Å; M351-W649 HydrophobicContact CB-CH2 4.31Å; M351-W649 HydrophobicContact CB-CZ3 4.17Å
352	Q	68.2	Low	67.2	Low	17 Å²	17	45.9 Å²	45.9	8%	0.079	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-42.8	178.9	-177.5	58.2	37.6	0	0	111.5	Y141 R348 N349 A354 W355 E356	Y141-Q352 HydrophobicContact CD1-CG 4.39Å; Y141-Q352 HydrophobicContact CD2-CB 4.42Å; Y141-Q352 HydrophobicContact CD2-CG 3.46Å; Y141-Q352 VanDerWaalsContact CD2-CG 3.46Å; Y141-Q352 HydrophobicContact CE1-CG 4.29Å; Y141-Q352 HydrophobicContact CE2-CB 4.36Å; Y141-Q352 HydrophobicContact CE2-CG 3.31Å; Y141-Q352 HydrophobicContact CG-CG 4.01Å; R348-Q352 WeakPolarHBondContact O-CB 3.41Å; R348-Q352 PolarHBondContact O-N 2.95Å; N349-Q352 PolarHBondContact O-N 3.05Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-A354 PolarHBondContact O-N 2.85Å; Q352-W355 VanDerWaalsContact NE2-CZ3 3.33Å; Q352-W355 PolarHBondContact O-N 3.36Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.22Å; Q352-E356 PolarHBondContact NE2-OE1 3.47Å; Q352-E356 WeakPolarHBondContact O-CB 3.4Å; Q352-E356 PolarHBondContact O-N 2.88Å
353	N	70.1	Confident	66	Low	7 Å²	7	49 Å²	49	4%	0.037	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-42.1	168.5	-93.4	-30.9	0	0	0	113	Y141 K142 E145 N349 A350 K357	Y141-N353 VanDerWaalsContact C-OD1 3.25Å; Y141-N353 WeakPolarHBondContact CB-OD1 3.17Å; K142-N353 WeakPolarHBondContact CA-OD1 3.47Å; K142-N353 PolarHBondContact N-OD1 2.62Å; E145-N353 PolarHBondContact OE2-ND2 3.02Å; N349-N353 WeakPolarHBondContact O-CB 3.44Å; N349-N353 PolarHBondContact O-N 2.84Å; A350-N353 WeakPolarHBondContact O-CB 3.19Å; A350-N353 PolarHBondContact O-N 2.8Å; N353-K357 VanDerWaalsContact O-CG 3.27Å; N353-K357 WeakPolarHBondContact O-CG 3.35Å; N353-K357 PolarHBondContact O-N 2.04Å
354	A	68.5	Low	64.8	Low	25 Å²	25	51.4 Å²	51.4	21%	0.207	27%	0.269	C	S	.	.	H	α-helix	trans	-69.7	-38.3	179.3	0	0	0	0	0	112	A350 M351 Q352 K357 A358	A350-A354 WeakPolarHBondContact O-CB 3.48Å; A350-A354 PolarHBondContact O-N 2.79Å; M351-A354 PolarHBondContact O-N 3.14Å; Q352-A354 VanDerWaalsContact C-N 3.34Å; Q352-A354 PolarHBondContact O-N 2.85Å; A354-K357 PolarHBondContact O-N 3.07Å; A354-A358 PolarHBondContact O-N 3.39Å
355	W	65.3	Low	63.9	Low	38 Å²	38	55.7 Å²	55.7	14%	0.144	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-42	173.6	173.1	80.5	0	0	0	112.1	M351 Q352 K357 A358 V359 L374	M351-W355 WeakPolarHBondContact O-CB 3.16Å; M351-W355 PolarHBondContact O-N 3Å; Q352-W355 VanDerWaalsContact NE2-CZ3 3.33Å; Q352-W355 PolarHBondContact O-N 3.36Å; W355-K357 VanDerWaalsContact C-N 3.31Å; W355-K357 PolarHBondContact O-N 2.93Å; W355-A358 WeakPolarHBondContact O-CB 3.34Å; W355-A358 PolarHBondContact O-N 3.23Å; W355-A358 VanDerWaalsContact O-N 3.1Å; W355-V359 HydrophobicContact CD2-CG2 4.26Å; W355-V359 HydrophobicContact CZ2-CG2 3.72Å; W355-V359 PolarHBondContact O-N 3.13Å; W355-L374 HydrophobicContact CZ2-CD1 3.49Å; W355-L374 VanDerWaalsContact CZ2-CD1 3.49Å
356	E	64	Low	62.9	Low	8 Å²	8	60.8 Å²	60.8	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-60.2	-39.8	173.3	-84.2	162.6	-148.2	0	0	111.9	Y141 Q352 N360	Y141-E356 VanDerWaalsContact CD2-OE1 3.3Å; Y141-E356 WeakPolarHBondContact CD2-OE1 3.43Å; Y141-E356 PolarHBondContact N-OE2 2.94Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.22Å; Q352-E356 PolarHBondContact NE2-OE1 3.47Å; Q352-E356 WeakPolarHBondContact O-CB 3.4Å; Q352-E356 PolarHBondContact O-N 2.88Å; E356-N360 WeakPolarHBondContact O-CB 3.28Å; E356-N360 PolarHBondContact O-N 2.74Å; E356-N360 VanDerWaalsContact O-N 3.17Å; E356-N360 PolarHBondContact O-ND2 3.34Å
357	K	66.6	Low	61.8	Low	104 Å²	104	60.9 Å²	60.9	45%	0.452	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-47.7	170.6	-69.8	165.3	-168.6	170.7	0	111.1	N353 A354 W355 N360 I361	N353-K357 VanDerWaalsContact O-CG 3.27Å; N353-K357 WeakPolarHBondContact O-CG 3.35Å; N353-K357 PolarHBondContact O-N 2.04Å; A354-K357 PolarHBondContact O-N 3.07Å; W355-K357 VanDerWaalsContact C-N 3.31Å; W355-K357 PolarHBondContact O-N 2.93Å; K357-N360 PolarHBondContact O-N 3.36Å; K357-I361 HydrophobicContact CB-CD1 4.33Å; K357-I361 VanDerWaalsContact O-CB 3.26Å; K357-I361 WeakPolarHBondContact O-CB 3.49Å; K357-I361 WeakPolarHBondContact O-CD1 3.19Å; K357-I361 WeakPolarHBondContact O-CG1 3.5Å; K357-I361 PolarHBondContact O-N 2.87Å
358	A	62.2	Low	60.9	Low	49 Å²	49	63.8 Å²	63.8	41%	0.405	34%	0.342	S	S	.	.	H	α-helix	trans	-59.3	-50.7	-178.4	0	0	0	0	0	112.2	A354 W355 N360 I361 E362	A354-A358 PolarHBondContact O-N 3.39Å; W355-A358 WeakPolarHBondContact O-CB 3.34Å; W355-A358 PolarHBondContact O-N 3.23Å; W355-A358 VanDerWaalsContact O-N 3.1Å; A358-N360 VanDerWaalsContact C-N 3.32Å; A358-N360 PolarHBondContact O-N 2.82Å; A358-I361 CarbonylContact O-C 3.51Å; A358-I361 PolarHBondContact O-N 3.28Å; A358-I361 VanDerWaalsContact O-N 3.07Å; A358-E362 WeakPolarHBondContact O-CG 3.46Å; A358-E362 PolarHBondContact O-N 3.12Å
359	V	60.3	Low	60.2	Low	19 Å²	19	65.9 Å²	65.9	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-67.1	-29.6	-179.1	174.5	0	0	0	0	112.9	W355	W355-V359 HydrophobicContact CD2-CG2 4.26Å; W355-V359 HydrophobicContact CZ2-CG2 3.72Å; W355-V359 PolarHBondContact O-N 3.13Å
360	N	58.1	Low	59.2	Low	96 Å²	96	67.1 Å²	67.1	51%	0.513	37%	0.366	S	S	.	.	H	α-helix	trans	-85.6	-9.8	173.4	-72.8	-81.2	0	0	0	113.7	S176 E356 K357 A358	S176-N360 PolarHBondContact OG-ND2 2.93Å; S176-N360 VanDerWaalsContact OG-ND2 3.07Å; E356-N360 WeakPolarHBondContact O-CB 3.28Å; E356-N360 PolarHBondContact O-N 2.74Å; E356-N360 VanDerWaalsContact O-N 3.17Å; E356-N360 PolarHBondContact O-ND2 3.34Å; K357-N360 PolarHBondContact O-N 3.36Å; A358-N360 VanDerWaalsContact C-N 3.32Å; A358-N360 PolarHBondContact O-N 2.82Å
361	I	55.4	Low	58.4	Low	130 Å²	130	68.5 Å²	68.5	67%	0.667	37%	0.373	S	S	*	.	H	α-helix	trans	-95.3	-14.1	170.7	-71.2	166.8	0	0	0	110.8	K357 A358 N363	K357-I361 HydrophobicContact CB-CD1 4.33Å; K357-I361 VanDerWaalsContact O-CB 3.26Å; K357-I361 WeakPolarHBondContact O-CB 3.49Å; K357-I361 WeakPolarHBondContact O-CD1 3.19Å; K357-I361 WeakPolarHBondContact O-CG1 3.5Å; K357-I361 PolarHBondContact O-N 2.87Å; A358-I361 CarbonylContact O-C 3.51Å; A358-I361 PolarHBondContact O-N 3.28Å; A358-I361 VanDerWaalsContact O-N 3.07Å; I361-N363 PolarHBondContact O-N 2.81Å
362	E	51.1	Low	57.8	Low	41 Å²	41	70.4 Å²	70.4	19%	0.192	39%	0.387	C	S	.	.	S	Bend	trans	-54	117.1	179.2	-88	168.2	171.2	0	0	110.4	A358 S370 L373	A358-E362 WeakPolarHBondContact O-CG 3.46Å; A358-E362 PolarHBondContact O-N 3.12Å; E362-S370 WeakPolarHBondContact OE2-CA 3.35Å; E362-S370 WeakPolarHBondContact OE2-CB 3.29Å; E362-S370 PolarHBondContact OE2-OG 2.75Å; E362-L373 WeakPolarHBondContact OE1-CB 3.42Å; E362-L373 WeakPolarHBondContact OE1-CD1 3.26Å
363	N	49.6	Very low	57.2	Low	79 Å²	79	73.6 Å²	73.6	42%	0.422	40%	0.404	S	S	.	.			trans	-63.7	126.8	-154.7	-175.4	-18.2	0	0	0	110	I361 N365 H366	I361-N363 PolarHBondContact O-N 2.81Å; N363-N365 PolarHBondContact O-N 3.49Å; N363-N365 WeakPolarHBondContact OD1-CB 3.21Å; N363-N365 PolarHBondContact OD1-N 2.85Å; N363-H366 CarbonylContact O-C 3.4Å; N363-H366 PolarHBondContact O-N 3.31Å
364	P	48.5	Very low	56.4	Low	117 Å²	117	74 Å²	74	76%	0.76	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.2	179.1	23.5	-34	0	0	0	113.2
365	N	51.9	Low	55.9	Low	131 Å²	131	75 Å²	75	70%	0.701	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.3	174.5	-56	-24.9	0	0	0	114.1	N363	N363-N365 PolarHBondContact O-N 3.49Å; N363-N365 WeakPolarHBondContact OD1-CB 3.21Å; N363-N365 PolarHBondContact OD1-N 2.85Å
366	H	52.1	Low	55.8	Low	116 Å²	116	80.1 Å²	80.1	54%	0.537	44%	0.435	S	S	.	.			trans	-139.7	61.5	178.6	-82.5	-64.8	0	0	0	113.2	N363 E368 L369	N363-H366 CarbonylContact O-C 3.4Å; N363-H366 PolarHBondContact O-N 3.31Å; H366-E368 PolarHBondContact O-N 2.9Å; H366-E368 VanDerWaalsContact O-N 3.14Å; H366-L369 PolarHBondContact O-N 3.1Å
367	P	50.6	Low	55.3	Low	89 Å²	89	81.1 Å²	81.1	58%	0.578	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-60	-23.5	176.1	25.5	-35.1	0	0	0	113.7	L369 S370 P371	P367-L369 PolarHBondContact O-N 3.38Å; P367-S370 WeakPolarHBondContact O-CB 3.47Å; P367-S370 PolarHBondContact O-N 2.92Å; P367-P371 WeakPolarHBondContact O-CD 3.33Å
368	E	54	Low	54.7	Low	151 Å²	151	76.9 Å²	76.9	71%	0.706	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-61.7	-22.3	177.3	-60.4	-173.8	154	0	0	114.2	H366 P372	H366-E368 PolarHBondContact O-N 2.9Å; H366-E368 VanDerWaalsContact O-N 3.14Å; E368-P372 WeakPolarHBondContact O-CD 3.39Å
369	L	53.6	Low	54.9	Low	109 Å²	109	79.7 Å²	79.7	57%	0.571	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-82.2	-16.9	-179.1	-140.7	76.4	0	0	0	113.2	H366 P367 P372 L373	H366-L369 PolarHBondContact O-N 3.1Å; P367-L369 PolarHBondContact O-N 3.38Å; L369-P372 WeakPolarHBondContact O-CD 3.1Å; L369-L373 HydrophobicContact CD2-CD1 4.15Å; L369-L373 HydrophobicContact CG-CD1 4.32Å; L369-L373 PolarHBondContact O-N 2.92Å
370	S	53.2	Low	54.7	Low	29 Å²	29	81.3 Å²	81.3	20%	0.203	44%	0.436	C	S	.	.	H	α-helix	trans	-67.1	-51.7	-176.3	178.6	0	0	0	0	113.3	E362 P367 L373 L374	E362-S370 WeakPolarHBondContact OE2-CA 3.35Å; E362-S370 WeakPolarHBondContact OE2-CB 3.29Å; E362-S370 PolarHBondContact OE2-OG 2.75Å; P367-S370 WeakPolarHBondContact O-CB 3.47Å; P367-S370 PolarHBondContact O-N 2.92Å; S370-L373 PolarHBondContact O-N 3.41Å; S370-L374 WeakPolarHBondContact O-CB 3.42Å; S370-L374 PolarHBondContact O-N 3.02Å
371	P	54.4	Low	54.6	Low	57 Å²	57	79 Å²	79	37%	0.37	42%	0.42	S	S	.	.	H	α-helix	trans	-59.9	-41.3	-179.6	-19.3	30.8	0	0	0	114	P367 A375	P367-P371 WeakPolarHBondContact O-CD 3.33Å; P371-A375 VanDerWaalsContact O-CB 3.22Å; P371-A375 WeakPolarHBondContact O-CB 3.39Å; P371-A375 PolarHBondContact O-N 3.42Å
372	P	56.3	Low	54.9	Low	66 Å²	66	75.8 Å²	75.8	43%	0.429	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-45.9	173.6	-26.8	35.8	0	0	0	114.8	E368 L369 A375 Y376	E368-P372 WeakPolarHBondContact O-CD 3.39Å; L369-P372 WeakPolarHBondContact O-CD 3.1Å; P372-A375 PolarHBondContact O-N 3.1Å; P372-Y376 PolarHBondContact O-N 2.93Å
373	L	55.5	Low	55.3	Low	85 Å²	85	78 Å²	78	45%	0.445	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-43.5	178.2	-78.5	168.8	0	0	0	111	E362 L369 S370 Y376 A377	E362-L373 WeakPolarHBondContact OE1-CB 3.42Å; E362-L373 WeakPolarHBondContact OE1-CD1 3.26Å; L369-L373 HydrophobicContact CD2-CD1 4.15Å; L369-L373 HydrophobicContact CG-CD1 4.32Å; L369-L373 PolarHBondContact O-N 2.92Å; S370-L373 PolarHBondContact O-N 3.41Å; L373-Y376 PolarHBondContact O-N 3.31Å; L373-A377 WeakPolarHBondContact O-CB 3.35Å; L373-A377 PolarHBondContact O-N 2.91Å
374	L	53.5	Low	55.7	Low	14 Å²	14	79.4 Å²	79.4	7%	0.073	42%	0.419	C	S	.	.	H	α-helix	trans	-62.7	-44.2	175.2	-177	46.7	0	0	0	112.3	H19 W355 S370 Y376 A377 N378	H19-L374 HydrophobicContact CB-CD1 4.49Å; W355-L374 HydrophobicContact CZ2-CD1 3.49Å; W355-L374 VanDerWaalsContact CZ2-CD1 3.49Å; S370-L374 WeakPolarHBondContact O-CB 3.42Å; S370-L374 PolarHBondContact O-N 3.02Å; L374-Y376 VanDerWaalsContact C-N 3.33Å; L374-Y376 PolarHBondContact O-N 2.92Å; L374-A377 PolarHBondContact O-N 3.35Å; L374-N378 WeakPolarHBondContact CD1-ND2 3.34Å; L374-N378 WeakPolarHBondContact O-CB 3.49Å; L374-N378 VanDerWaalsContact O-CG 3.26Å; L374-N378 PolarHBondContact O-N 2.9Å; L374-N378 PolarHBondContact O-ND2 3.44Å
375	A	58.5	Low	56.1	Low	48 Å²	48	77.2 Å²	77.2	40%	0.397	40%	0.396	S	S	.	.	H	α-helix	trans	-60.6	-41.7	175.4	0	0	0	0	0	111.8	P371 P372 N378 Y379	P371-A375 VanDerWaalsContact O-CB 3.22Å; P371-A375 WeakPolarHBondContact O-CB 3.39Å; P371-A375 PolarHBondContact O-N 3.42Å; P372-A375 PolarHBondContact O-N 3.1Å; A375-N378 PolarHBondContact O-N 2.99Å; A375-Y379 WeakPolarHBondContact O-CB 3.41Å; A375-Y379 PolarHBondContact O-N 3.12Å
376	Y	62	Low	56.3	Low	145 Å²	145	77.1 Å²	77.1	57%	0.569	39%	0.386	S	S	*	.	H	α-helix	trans	-68.3	-42.6	176.3	-174.1	-117.6	0	0	0	112.5	P372 L373 L374 N378 Y379 L380	P372-Y376 PolarHBondContact O-N 2.93Å; L373-Y376 PolarHBondContact O-N 3.31Å; L374-Y376 VanDerWaalsContact C-N 3.33Å; L374-Y376 PolarHBondContact O-N 2.92Å; Y376-N378 VanDerWaalsContact C-N 3.34Å; Y376-N378 PolarHBondContact O-N 2.83Å; Y376-Y379 HydrophobicContact CD2-CD1 4.29Å; Y376-Y379 HydrophobicContact CE2-CD1 4.23Å; Y376-Y379 WeakPolarHBondContact O-CB 3.26Å; Y376-Y379 PolarHBondContact O-N 2.76Å; Y376-L380 HydrophobicContact CD1-CD1 4.17Å; Y376-L380 HydrophobicContact CE1-CD1 3.75Å; Y376-L380 HydrophobicContact CE1-CG 4.26Å; Y376-L380 HydrophobicContact CE2-CD2 4.35Å; Y376-L380 HydrophobicContact CE2-CG 4.43Å; Y376-L380 WeakPolarHBondContact O-CG 3.36Å; Y376-L380 PolarHBondContact O-N 2.92Å
377	A	53.5	Low	56.6	Low	29 Å²	29	75.1 Å²	75.1	24%	0.24	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-43	173.9	0	0	0	0	0	111.9	L373 L374 L380 R381	L373-A377 WeakPolarHBondContact O-CB 3.35Å; L373-A377 PolarHBondContact O-N 2.91Å; L374-A377 PolarHBondContact O-N 3.35Å; A377-L380 PolarHBondContact O-N 2.78Å; A377-R381 WeakPolarHBondContact O-CB 3.37Å; A377-R381 PolarHBondContact O-N 3.18Å
378	N	55.1	Low	56.8	Low	14 Å²	14	73.1 Å²	73.1	8%	0.075	36%	0.364	C	S	.	.	H	α-helix	trans	-64.4	-39.1	173.8	-72.9	-45.8	0	0	0	112.1	H19 L374 A375 Y376 R381 N382	H19-N378 PolarHBondContact CD2-ND2 2.85Å; H19-N378 PolarHBondContact CD2-OD1 3.33Å; H19-N378 VanDerWaalsContact CD2-OD1 3.27Å; H19-N378 PolarHBondContact NE2-OD1 3.42Å; L374-N378 WeakPolarHBondContact CD1-ND2 3.34Å; L374-N378 WeakPolarHBondContact O-CB 3.49Å; L374-N378 VanDerWaalsContact O-CG 3.26Å; L374-N378 PolarHBondContact O-N 2.9Å; L374-N378 PolarHBondContact O-ND2 3.44Å; A375-N378 PolarHBondContact O-N 2.99Å; Y376-N378 VanDerWaalsContact C-N 3.34Å; Y376-N378 PolarHBondContact O-N 2.83Å; N378-R381 PolarHBondContact O-N 3.28Å; N378-R381 PolarHBondContact OD1-NH1 2.87Å; N378-R381 VanDerWaalsContact OD1-NH1 3.16Å; N378-R381 PolarHBondContact OD1-NH2 2.94Å; N378-N382 WeakPolarHBondContact O-CB 3.43Å; N378-N382 VanDerWaalsContact O-CG 3.25Å; N378-N382 PolarHBondContact O-N 3.47Å
379	Y	65.3	Low	56.9	Low	108 Å²	108	67.5 Å²	67.5	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-60	-45.1	172.9	167.6	-91.7	0	0	0	111.6	A375 Y376 N383 K384	A375-Y379 WeakPolarHBondContact O-CB 3.41Å; A375-Y379 PolarHBondContact O-N 3.12Å; Y376-Y379 HydrophobicContact CD2-CD1 4.29Å; Y376-Y379 HydrophobicContact CE2-CD1 4.23Å; Y376-Y379 WeakPolarHBondContact O-CB 3.26Å; Y376-Y379 PolarHBondContact O-N 2.76Å; Y379-N383 VanDerWaalsContact CD2-ND2 3.28Å; Y379-N383 WeakPolarHBondContact CD2-ND2 3.46Å; Y379-N383 HydrophobicContact CE2-CB 4.4Å; Y379-N383 VanDerWaalsContact O-CB 3.25Å; Y379-N383 WeakPolarHBondContact O-CB 3.42Å; Y379-N383 PolarHBondContact O-N 2.95Å; Y379-N383 PolarHBondContact O-ND2 3.46Å; Y379-K384 HydrophobicContact CE1-CG 4.32Å; Y379-K384 WeakPolarHBondContact OH-CE 3.36Å
380	L	56.8	Low	57	Low	53 Å²	53	65.3 Å²	65.3	28%	0.277	33%	0.331	S	S	.	.	I	π-helix	trans	-63.4	-50.5	176.3	-66.4	178.8	0	0	0	111.2	Y376 A377 K384 Y385	Y376-L380 HydrophobicContact CD1-CD1 4.17Å; Y376-L380 HydrophobicContact CE1-CD1 3.75Å; Y376-L380 HydrophobicContact CE1-CG 4.26Å; Y376-L380 HydrophobicContact CE2-CD2 4.35Å; Y376-L380 HydrophobicContact CE2-CG 4.43Å; Y376-L380 WeakPolarHBondContact O-CG 3.36Å; Y376-L380 PolarHBondContact O-N 2.92Å; A377-L380 PolarHBondContact O-N 2.78Å; L380-K384 HydrophobicContact CD2-CB 4.46Å; L380-K384 HydrophobicContact CD2-CG 3.79Å; L380-K384 WeakPolarHBondContact O-CA 3.22Å; L380-K384 WeakPolarHBondContact O-CB 3.32Å; L380-K384 PolarHBondContact O-N 3.23Å; L380-Y385 PolarHBondContact O-N 2.94Å
381	R	56.1	Low	57.2	Low	48 Å²	48	69.6 Å²	69.6	18%	0.181	35%	0.346	C	S	.	.	I	π-helix	trans	-60.8	-51.1	-179.7	-169.7	-171.9	69	-151.6	-4.4	112.3	H19 M351 A377 N378 Y385	H19-R381 PolarHBondContact NE2-NH2 3.01Å; M351-R381 HydrophobicContact CE-CG 4.44Å; A377-R381 WeakPolarHBondContact O-CB 3.37Å; A377-R381 PolarHBondContact O-N 3.18Å; N378-R381 PolarHBondContact O-N 3.28Å; N378-R381 PolarHBondContact OD1-NH1 2.87Å; N378-R381 VanDerWaalsContact OD1-NH1 3.16Å; N378-R381 PolarHBondContact OD1-NH2 2.94Å; R381-Y385 WeakPolarHBondContact O-CB 3.36Å
382	N	60.7	Low	57	Low	63 Å²	63	69 Å²	69	34%	0.337	34%	0.343	S	S	.	.	I	π-helix	trans	-79.3	-27.1	-171.3	-62.6	-1.2	0	0	0	112.8	N378 R386	N378-N382 WeakPolarHBondContact O-CB 3.43Å; N378-N382 VanDerWaalsContact O-CG 3.25Å; N378-N382 PolarHBondContact O-N 3.47Å; N382-R386 VanDerWaalsContact O-CB 3.23Å; N382-R386 WeakPolarHBondContact O-CB 3.46Å
383	N	59.8	Low	56.8	Low	87 Å²	87	70.9 Å²	70.9	47%	0.465	34%	0.344	S	S	.	.	I	π-helix	trans	-108.6	-56.8	-178.5	-54.1	-72.5	0	0	0	113.3	Y379 D387	Y379-N383 VanDerWaalsContact CD2-ND2 3.28Å; Y379-N383 WeakPolarHBondContact CD2-ND2 3.46Å; Y379-N383 HydrophobicContact CE2-CB 4.4Å; Y379-N383 VanDerWaalsContact O-CB 3.25Å; Y379-N383 WeakPolarHBondContact O-CB 3.42Å; Y379-N383 PolarHBondContact O-N 2.95Å; Y379-N383 PolarHBondContact O-ND2 3.46Å; N383-D387 VanDerWaalsContact O-CB 3.25Å; N383-D387 WeakPolarHBondContact O-CB 3.28Å; N383-D387 PolarHBondContact O-N 2.67Å
384	K	59.3	Low	56.7	Low	108 Å²	108	70.6 Å²	70.6	47%	0.47	35%	0.354	S	S	.	.	I	π-helix	trans	-71.4	-48.4	-174	-60	-67.7	-173.7	173.1	0	112	Y379 L380 D387 L388	Y379-K384 HydrophobicContact CE1-CG 4.32Å; Y379-K384 WeakPolarHBondContact OH-CE 3.36Å; L380-K384 HydrophobicContact CD2-CB 4.46Å; L380-K384 HydrophobicContact CD2-CG 3.79Å; L380-K384 WeakPolarHBondContact O-CA 3.22Å; L380-K384 WeakPolarHBondContact O-CB 3.32Å; L380-K384 PolarHBondContact O-N 3.23Å; K384-D387 PolarHBondContact O-N 2.8Å; K384-L388 VanDerWaalsContact O-CB 3.25Å; K384-L388 WeakPolarHBondContact O-CB 3.43Å; K384-L388 PolarHBondContact O-N 2.86Å
385	Y	55	Low	56.4	Low	71 Å²	71	72.7 Å²	72.7	28%	0.278	37%	0.368	S	S	.	.	I	π-helix	trans	-68	-35.6	177.4	-79.9	-83.7	0	0	0	112.2	M351 L380 R381 L388 E389	M351-Y385 HydrophobicContact SD-CD2 4.03Å; M351-Y385 HydrophobicContact SD-CE1 4.18Å; M351-Y385 HydrophobicContact SD-CE2 3.36Å; M351-Y385 WeakPolarHBondContact SD-CE2 3.31Å; L380-Y385 PolarHBondContact O-N 2.94Å; R381-Y385 WeakPolarHBondContact O-CB 3.36Å; Y385-L388 PolarHBondContact O-N 3.28Å; Y385-E389 VanDerWaalsContact O-CB 3.31Å; Y385-E389 WeakPolarHBondContact O-CB 3.39Å; Y385-E389 PolarHBondContact O-N 2.76Å
386	R	56.7	Low	55.7	Low	130 Å²	130	75.2 Å²	75.2	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-43.8	173.8	-178	-179.1	-93.1	-169.7	-4.8	112.7	N113 N382 L388 S390	N113-R386 PolarHBondContact O-NH2 2.64Å; N382-R386 VanDerWaalsContact O-CB 3.23Å; N382-R386 WeakPolarHBondContact O-CB 3.46Å; R386-L388 VanDerWaalsContact C-N 3.33Å; R386-S390 VanDerWaalsContact O-CB 3.31Å; R386-S390 WeakPolarHBondContact O-CB 3.1Å; R386-S390 PolarHBondContact O-N 3.03Å; R386-S390 PolarHBondContact O-OG 3.37Å
387	D	58.9	Low	55.1	Low	73 Å²	73	74.5 Å²	74.5	39%	0.39	39%	0.385	S	S	.	.	H	α-helix	trans	-63.3	-38.2	174.2	171.4	59.2	0	0	0	111.9	N383 K384 S390 K391	N383-D387 VanDerWaalsContact O-CB 3.25Å; N383-D387 WeakPolarHBondContact O-CB 3.28Å; N383-D387 PolarHBondContact O-N 2.67Å; K384-D387 PolarHBondContact O-N 2.8Å; D387-S390 PolarHBondContact O-OG 3.14Å; D387-K391 WeakPolarHBondContact O-CB 3.08Å; D387-K391 WeakPolarHBondContact O-CD 3.4Å; D387-K391 WeakPolarHBondContact O-CG 3.09Å; D387-K391 PolarHBondContact O-N 3.49Å; D387-K391 WeakPolarHBondContact OD1-CE 3.42Å; D387-K391 IonicContact OD1-NZ 2.78Å; D387-K391 PolarHBondContact OD1-NZ 2.93Å; D387-K391 IonicContact OD2-NZ 3.77Å; D387-K391 PolarHBondContact OD2-NZ 3.27Å
388	L	55.7	Low	54.5	Low	48 Å²	48	77 Å²	77	25%	0.251	41%	0.405	S	S	.	.	H	α-helix	trans	-71.3	-39.9	178	-172.8	151.6	0	0	0	112.3	M344 K384 Y385 R386 K391 S392 L651	M344-L388 HydrophobicContact CE-CD2 3.57Å; K384-L388 VanDerWaalsContact O-CB 3.25Å; K384-L388 WeakPolarHBondContact O-CB 3.43Å; K384-L388 PolarHBondContact O-N 2.86Å; Y385-L388 PolarHBondContact O-N 3.28Å; R386-L388 VanDerWaalsContact C-N 3.33Å; L388-K391 PolarHBondContact O-N 3.46Å; L388-S392 PolarHBondContact O-N 3.16Å; L388-L651 HydrophobicContact CD1-CB 4.23Å; L388-L651 HydrophobicContact CD1-CD1 4.36Å; L388-L651 HydrophobicContact CD1-CD2 3.93Å; L388-L651 HydrophobicContact CD1-CG 4.39Å; L388-L651 HydrophobicContact CD2-CD1 3.99Å; L388-L651 HydrophobicContact CD2-CD2 3.82Å; L388-L651 HydrophobicContact CD2-CG 4.49Å; L388-L651 HydrophobicContact CG-CD2 3.85Å
389	E	54.9	Low	54.1	Low	33 Å²	33	83.6 Å²	83.6	15%	0.154	44%	0.44	C	S	.	.	H	α-helix	trans	-72.7	-35.1	174.9	-167.4	-175.5	129	0	0	112.2	R348 Y385 K391 S392 K393	R348-E389 IonicContact CZ-OE2 2.72Å; R348-E389 IonicContact NH2-OE2 2.7Å; R348-E389 PolarHBondContact NH2-OE2 2.96Å; Y385-E389 VanDerWaalsContact O-CB 3.31Å; Y385-E389 WeakPolarHBondContact O-CB 3.39Å; Y385-E389 PolarHBondContact O-N 2.76Å; E389-K391 VanDerWaalsContact C-N 3.34Å; E389-S392 PolarHBondContact O-N 2.63Å; E389-S392 PolarHBondContact O-OG 2.79Å; E389-S392 VanDerWaalsContact O-OG 3.04Å; E389-K393 HydrophobicContact CG-CD 4.32Å; E389-K393 WeakPolarHBondContact O-CB 3.45Å; E389-K393 WeakPolarHBondContact O-CG 3.45Å; E389-K393 PolarHBondContact O-N 3.5Å; E389-K393 IonicContact OE1-NZ 2.86Å; E389-K393 PolarHBondContact OE1-NZ 3.46Å
390	S	55	Low	53.6	Low	62 Å²	62	84.2 Å²	84.2	43%	0.434	46%	0.455	S	S	.	.	H	α-helix	trans	-68.4	-35.6	173.2	73.8	0	0	0	0	111.2	R386 D387 K393 A394	R386-S390 VanDerWaalsContact O-CB 3.31Å; R386-S390 WeakPolarHBondContact O-CB 3.1Å; R386-S390 PolarHBondContact O-N 3.03Å; R386-S390 PolarHBondContact O-OG 3.37Å; D387-S390 PolarHBondContact O-OG 3.14Å; S390-K393 PolarHBondContact O-N 3.16Å; S390-A394 WeakPolarHBondContact O-CB 3.23Å; S390-A394 PolarHBondContact O-N 3.3Å
391	K	58.2	Low	53.5	Low	120 Å²	120	88.2 Å²	88.2	52%	0.522	48%	0.482	S	S	.	.	H	α-helix	trans	-65.7	-43.1	171.1	-77.4	164.8	-179.5	162.5	0	112.8	D387 L388 E389 K393 A394 V395	D387-K391 WeakPolarHBondContact O-CB 3.08Å; D387-K391 WeakPolarHBondContact O-CD 3.4Å; D387-K391 WeakPolarHBondContact O-CG 3.09Å; D387-K391 PolarHBondContact O-N 3.49Å; D387-K391 WeakPolarHBondContact OD1-CE 3.42Å; D387-K391 IonicContact OD1-NZ 2.78Å; D387-K391 PolarHBondContact OD1-NZ 2.93Å; D387-K391 IonicContact OD2-NZ 3.77Å; D387-K391 PolarHBondContact OD2-NZ 3.27Å; L388-K391 PolarHBondContact O-N 3.46Å; E389-K391 VanDerWaalsContact C-N 3.34Å; K391-K393 VanDerWaalsContact C-N 3.31Å; K391-K393 PolarHBondContact O-N 3.25Å; K391-A394 PolarHBondContact O-N 2.88Å; K391-V395 WeakPolarHBondContact O-CG2 3.08Å; K391-V395 PolarHBondContact O-N 3.47Å
392	S	51.3	Low	53.5	Low	43 Å²	43	89.1 Å²	89.1	30%	0.301	49%	0.49	S	S	.	.	H	α-helix	trans	-66.8	-33.1	175.7	65.5	0	0	0	0	112.4	L388 E389	L388-S392 PolarHBondContact O-N 3.16Å; E389-S392 PolarHBondContact O-N 2.63Å; E389-S392 PolarHBondContact O-OG 2.79Å; E389-S392 VanDerWaalsContact O-OG 3.04Å
393	K	51.5	Low	53.6	Low	106 Å²	106	90.1 Å²	90.1	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-73.3	-37.8	172.9	-74.3	171.9	173.8	171.7	0	113.1	E389 S390 K391 V395 L396	E389-K393 HydrophobicContact CG-CD 4.32Å; E389-K393 WeakPolarHBondContact O-CB 3.45Å; E389-K393 WeakPolarHBondContact O-CG 3.45Å; E389-K393 PolarHBondContact O-N 3.5Å; E389-K393 IonicContact OE1-NZ 2.86Å; E389-K393 PolarHBondContact OE1-NZ 3.46Å; S390-K393 PolarHBondContact O-N 3.16Å; K391-K393 VanDerWaalsContact C-N 3.31Å; K391-K393 PolarHBondContact O-N 3.25Å; K393-V395 PolarHBondContact O-N 2.89Å; K393-L396 WeakPolarHBondContact O-CB 3.27Å; K393-L396 WeakPolarHBondContact O-CG 3.3Å; K393-L396 PolarHBondContact O-N 3.44Å
394	A	53.3	Low	53.7	Low	79 Å²	79	93.7 Å²	93.7	65%	0.653	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-0.9	176.4	0	0	0	0	0	114.3	S390 K391	S390-A394 WeakPolarHBondContact O-CB 3.23Å; S390-A394 PolarHBondContact O-N 3.3Å; K391-A394 PolarHBondContact O-N 2.88Å
395	V	46.6	Very low	53.9	Low	58 Å²	58	97.1 Å²	97.1	35%	0.352	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.5	165.8	166.5	0	0	0	0	111.7	K391 K393 V397 Y654	K391-V395 WeakPolarHBondContact O-CG2 3.08Å; K391-V395 PolarHBondContact O-N 3.47Å; K393-V395 PolarHBondContact O-N 2.89Å; V395-V397 PolarHBondContact O-N 2.92Å; V395-Y654 HydrophobicContact CG1-CD1 3.85Å; V395-Y654 HydrophobicContact CG1-CG 4.22Å
396	L	43.5	Very low	54.4	Low	102 Å²	102	98.4 Å²	98.4	53%	0.534	55%	0.55	S	S	.	.	S	Bend	trans	-60.3	127.3	157.5	-64.9	167.4	0	0	0	107.8	K393 A398	K393-L396 WeakPolarHBondContact O-CB 3.27Å; K393-L396 WeakPolarHBondContact O-CG 3.3Å; K393-L396 PolarHBondContact O-N 3.44Å; L396-A398 PolarHBondContact O-N 3.43Å; L396-A398 VanDerWaalsContact O-N 3.14Å
397	V	50.2	Low	54.9	Low	130 Å²	130	101.4 Å²	101.4	79%	0.788	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-59.6	119.2	-173.4	-180	0	0	0	0	109.4	V395 D399	V395-V397 PolarHBondContact O-N 2.92Å; V397-D399 PolarHBondContact O-N 2.93Å
398	A	41.7	Very low	55.3	Low	81 Å²	81	103.8 Å²	103.8	67%	0.669	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-70.2	120.6	169.2	0	0	0	0	0	108.7	L396 V400	L396-A398 PolarHBondContact O-N 3.43Å; L396-A398 VanDerWaalsContact O-N 3.14Å; A398-V400 PolarHBondContact O-N 3.17Å
399	D	46.8	Very low	56.3	Low	152 Å²	152	104.2 Å²	104.2	81%	0.813	58%	0.584	S	S	*	*			trans	-58.6	112	175.2	-74.3	-44	0	0	0	110	V397 T401	V397-D399 PolarHBondContact O-N 2.93Å; D399-T401 PolarHBondContact O-N 2.88Å; D399-T401 VanDerWaalsContact O-N 3.12Å
400	V	53.5	Low	57.5	Low	121 Å²	121	106.4 Å²	106.4	73%	0.733	60%	0.6	S	S	*	*			trans	-75.5	103.3	178.2	180	0	0	0	0	108.3	A398 L402	A398-V400 PolarHBondContact O-N 3.17Å; V400-L402 VanDerWaalsContact C-N 3.34Å; V400-L402 HydrophobicContact CG1-CD1 3.93Å; V400-L402 PolarHBondContact O-N 3.44Å
401	T	54.6	Low	58.5	Low	137 Å²	137	106.9 Å²	106.9	84%	0.84	59%	0.594	S	S	*	*			trans	-68.4	88.7	174.5	42.2	0	0	0	0	110.9	D399	D399-T401 PolarHBondContact O-N 2.88Å; D399-T401 VanDerWaalsContact O-N 3.12Å
402	L	56.8	Low	59.6	Low	67 Å²	67	103.3 Å²	103.3	35%	0.351	58%	0.579	S	S	.	*			trans	-66.2	148.3	172.8	-121.6	63.8	0	0	0	111.1	V400 I406 L408	V400-L402 VanDerWaalsContact C-N 3.34Å; V400-L402 HydrophobicContact CG1-CD1 3.93Å; V400-L402 PolarHBondContact O-N 3.44Å; L402-I406 HydrophobicContact CD2-CB 3.92Å; L402-I406 HydrophobicContact CD2-CG2 3.59Å; L402-I406 HydrophobicContact CG-CB 4.35Å; L402-I406 HydrophobicContact CG-CG2 4.45Å; L402-L408 HydrophobicContact CD2-CD1 3.72Å; L402-L408 HydrophobicContact CD2-CD2 4.32Å; L402-L408 HydrophobicContact CD2-CG 3.63Å
403	P	62.8	Low	61.1	Low	84 Å²	84	106.1 Å²	106.1	55%	0.545	59%	0.587	S	S	.	*			trans	-62.9	142.3	174.2	-20.7	33.1	0	0	0	112	M405 I406	P403-M405 PolarHBondContact O-N 2.92Å; P403-I406 PolarHBondContact O-N 3.03Å
404	D	61.6	Low	62.6	Low	162 Å²	162	105.9 Å²	105.9	87%	0.866	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49	-24.1	-173.3	-62.8	-30	0	0	0	116.2
405	M	64.3	Low	64.1	Low	180 Å²	180	102.3 Å²	102.3	89%	0.887	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-22.5	179.2	-59.7	-167.3	-63.5	0	0	113.7	P403 K407	P403-M405 PolarHBondContact O-N 2.92Å; M405-K407 PolarHBondContact O-N 3.28Å
406	I	64.9	Low	66	Low	99 Å²	99	101 Å²	101	51%	0.508	55%	0.552	S	S	.	*			trans	-99.2	90.3	-177.4	-51.2	-180	0	0	0	109.1	L402 P403 L408	L402-I406 HydrophobicContact CD2-CB 3.92Å; L402-I406 HydrophobicContact CD2-CG2 3.59Å; L402-I406 HydrophobicContact CG-CB 4.35Å; L402-I406 HydrophobicContact CG-CG2 4.45Å; P403-I406 PolarHBondContact O-N 3.03Å; I406-L408 PolarHBondContact O-N 3.33Å
407	K	67.3	Low	68	Low	192 Å²	192	101 Å²	101	84%	0.835	55%	0.552	S	S	*	*			trans	-79.4	103.1	165.7	-67.5	-171.8	178.2	-175.2	0	109.2	M405	M405-K407 PolarHBondContact O-N 3.28Å
408	L	67.4	Low	69.8	Low	123 Å²	123	98.1 Å²	98.1	64%	0.644	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-58.5	140.9	160.4	-72	171	0	0	0	108.9	L402 I406 T410	L402-L408 HydrophobicContact CD2-CD1 3.72Å; L402-L408 HydrophobicContact CD2-CD2 4.32Å; L402-L408 HydrophobicContact CD2-CG 3.63Å; I406-L408 PolarHBondContact O-N 3.33Å; L408-T410 PolarHBondContact O-N 3.21Å
409	P	76.6	Confident	72	Confident	57 Å²	57	94.4 Å²	94.4	37%	0.37	50%	0.498	S	S	.	.	P	Polyproline II helix	trans	-59.7	134	172	26.1	-33.2	0	0	0	108.8	E413 Q414	P409-E413 HydrophobicContact CB-CB 4.08Å; P409-Q414 HydrophobicContact CB-CG 3.97Å; P409-Q414 HydrophobicContact CG-CG 3.76Å; P409-Q414 PolarHBondContact O-NE2 3.33Å
410	T	78.9	Confident	74	Confident	79 Å²	79	91.9 Å²	91.9	49%	0.485	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-59.6	156.3	173.4	62.1	0	0	0	0	110	L408 Q412 E413 Q414	L408-T410 PolarHBondContact O-N 3.21Å; T410-Q412 PolarHBondContact O-N 3.17Å; T410-Q412 VanDerWaalsContact O-N 3.15Å; T410-E413 VanDerWaalsContact CB-OE2 3.3Å; T410-E413 WeakPolarHBondContact CB-OE2 3.49Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.34Å; T410-E413 PolarHBondContact N-OE2 3.07Å; T410-E413 WeakPolarHBondContact O-CA 3.24Å; T410-E413 WeakPolarHBondContact O-CB 3.4Å; T410-E413 PolarHBondContact O-N 3.42Å; T410-E413 VanDerWaalsContact OG1-CD 3.28Å; T410-E413 WeakPolarHBondContact OG1-CG 3.07Å; T410-E413 PolarHBondContact OG1-N 2.86Å; T410-E413 PolarHBondContact OG1-OE2 3.41Å; T410-Q414 WeakPolarHBondContact O-CG 3.35Å; T410-Q414 PolarHBondContact O-N 3.01Å
411	F	76.1	Confident	75.7	Confident	72 Å²	72	91.1 Å²	91.1	32%	0.316	47%	0.47	S	S	.	.	H	α-helix	trans	-50.2	-41.9	176.2	168.1	-112.1	0	0	0	112.3	N323 E326 E413 Q414 V415	N323-F411 WeakPolarHBondContact OD1-CE1 3.44Å; E326-F411 HydrophobicContact CB-CE1 4.08Å; E326-F411 HydrophobicContact CB-CE2 4.25Å; E326-F411 HydrophobicContact CB-CZ 3.59Å; E326-F411 HydrophobicContact CG-CE1 4.3Å; E326-F411 HydrophobicContact CG-CE2 3.57Å; E326-F411 HydrophobicContact CG-CZ 3.42Å; E326-F411 VanDerWaalsContact CG-CZ 3.42Å; F411-E413 VanDerWaalsContact C-N 3.33Å; F411-E413 PolarHBondContact O-N 3.1Å; F411-Q414 PolarHBondContact O-N 3.4Å; F411-V415 HydrophobicContact CD2-CG2 3.91Å; F411-V415 HydrophobicContact CE1-CG2 4.11Å; F411-V415 HydrophobicContact CE2-CG2 3.26Å; F411-V415 HydrophobicContact CZ-CG2 3.37Å; F411-V415 WeakPolarHBondContact O-CB 3.08Å; F411-V415 VanDerWaalsContact O-CG2 3.3Å; F411-V415 WeakPolarHBondContact O-CG2 3.42Å; F411-V415 PolarHBondContact O-N 3.11Å
412	Q	81.6	Confident	77.2	Confident	46 Å²	46	85.1 Å²	85.1	22%	0.215	43%	0.432	C	S	.	.	H	α-helix	trans	-64.2	-32.7	177.1	-176.2	60.5	62	0	0	113.4	N323 T410 S416 F462	N323-Q412 PolarHBondContact ND2-OE1 2.86Å; T410-Q412 PolarHBondContact O-N 3.17Å; T410-Q412 VanDerWaalsContact O-N 3.15Å; Q412-S416 WeakPolarHBondContact O-CB 3.17Å; Q412-S416 PolarHBondContact O-N 3.44Å; Q412-S416 VanDerWaalsContact O-N 3.14Å; Q412-S416 PolarHBondContact O-OG 3.32Å; Q412-F462 HydrophobicContact CG-CE2 3.79Å; Q412-F462 HydrophobicContact CG-CZ 3.63Å
413	E	82.6	Confident	78.6	Confident	101 Å²	101	82.2 Å²	82.2	47%	0.472	42%	0.417	S	S	.	.	H	α-helix	trans	-74.9	-41.3	174.4	-71.8	160	137.7	0	0	111.3	P409 T410 F411 V415 S416 L417	P409-E413 HydrophobicContact CB-CB 4.08Å; T410-E413 VanDerWaalsContact CB-OE2 3.3Å; T410-E413 WeakPolarHBondContact CB-OE2 3.49Å; T410-E413 WeakPolarHBondContact CG2-OE2 3.34Å; T410-E413 PolarHBondContact N-OE2 3.07Å; T410-E413 WeakPolarHBondContact O-CA 3.24Å; T410-E413 WeakPolarHBondContact O-CB 3.4Å; T410-E413 PolarHBondContact O-N 3.42Å; T410-E413 VanDerWaalsContact OG1-CD 3.28Å; T410-E413 WeakPolarHBondContact OG1-CG 3.07Å; T410-E413 PolarHBondContact OG1-N 2.86Å; T410-E413 PolarHBondContact OG1-OE2 3.41Å; F411-E413 VanDerWaalsContact C-N 3.33Å; F411-E413 PolarHBondContact O-N 3.1Å; E413-V415 PolarHBondContact O-N 3.04Å; E413-S416 PolarHBondContact O-N 3.39Å; E413-L417 WeakPolarHBondContact O-CG 3.35Å; E413-L417 PolarHBondContact O-N 3.39Å
414	Q	82.9	Confident	79.7	Confident	101 Å²	101	81.1 Å²	81.1	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-59.3	-46	174.4	-63.4	175.5	26.8	0	0	111.5	P409 T410 F411 S416 L417 K418	P409-Q414 HydrophobicContact CB-CG 3.97Å; P409-Q414 HydrophobicContact CG-CG 3.76Å; P409-Q414 PolarHBondContact O-NE2 3.33Å; T410-Q414 WeakPolarHBondContact O-CG 3.35Å; T410-Q414 PolarHBondContact O-N 3.01Å; F411-Q414 PolarHBondContact O-N 3.4Å; Q414-S416 VanDerWaalsContact C-N 3.34Å; Q414-S416 PolarHBondContact O-N 3.06Å; Q414-L417 PolarHBondContact O-N 3.05Å; Q414-K418 WeakPolarHBondContact O-CB 3.39Å; Q414-K418 PolarHBondContact O-N 3.31Å
415	V	84.5	Confident	80.8	Confident	4 Å²	4	79.2 Å²	79.2	2%	0.024	39%	0.393	C	S	.	.	H	α-helix	trans	-61.1	-40.8	175.3	164.8	0	0	0	0	112.1	V319 E322 F411 E413 A419	V319-V415 HydrophobicContact CB-CG1 4.15Å; V319-V415 HydrophobicContact CG1-CG1 4.17Å; V319-V415 HydrophobicContact CG2-CG1 4.01Å; E322-V415 HydrophobicContact CB-CB 4.23Å; E322-V415 HydrophobicContact CB-CG1 3.47Å; E322-V415 VanDerWaalsContact CB-CG1 3.47Å; E322-V415 HydrophobicContact CB-CG2 3.69Å; E322-V415 HydrophobicContact CG-CB 4.46Å; E322-V415 HydrophobicContact CG-CG1 3.92Å; E322-V415 HydrophobicContact CG-CG2 3.96Å; F411-V415 HydrophobicContact CD2-CG2 3.91Å; F411-V415 HydrophobicContact CE1-CG2 4.11Å; F411-V415 HydrophobicContact CE2-CG2 3.26Å; F411-V415 HydrophobicContact CZ-CG2 3.37Å; F411-V415 WeakPolarHBondContact O-CB 3.08Å; F411-V415 VanDerWaalsContact O-CG2 3.3Å; F411-V415 WeakPolarHBondContact O-CG2 3.42Å; F411-V415 PolarHBondContact O-N 3.11Å; E413-V415 PolarHBondContact O-N 3.04Å; V415-A419 WeakPolarHBondContact O-CB 3.02Å; V415-A419 PolarHBondContact O-N 3.09Å
416	S	86.4	Confident	81.5	Confident	32 Å²	32	72.7 Å²	72.7	22%	0.224	36%	0.36	C	S	.	.	H	α-helix	trans	-67.5	-43.6	178.3	-54.5	0	0	0	0	111.4	Q412 E413 Q414 A419 E420	Q412-S416 WeakPolarHBondContact O-CB 3.17Å; Q412-S416 PolarHBondContact O-N 3.44Å; Q412-S416 VanDerWaalsContact O-N 3.14Å; Q412-S416 PolarHBondContact O-OG 3.32Å; E413-S416 PolarHBondContact O-N 3.39Å; Q414-S416 VanDerWaalsContact C-N 3.34Å; Q414-S416 PolarHBondContact O-N 3.06Å; S416-A419 PolarHBondContact O-N 3.4Å; S416-E420 WeakPolarHBondContact O-CG 3.46Å; S416-E420 PolarHBondContact O-N 3.14Å
417	L	86.3	Confident	82.1	Confident	102 Å²	102	70.2 Å²	70.2	53%	0.534	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-44.1	176.4	-71.8	167.7	0	0	0	112.2	E413 Q414 A419 E420 E421	E413-L417 WeakPolarHBondContact O-CG 3.35Å; E413-L417 PolarHBondContact O-N 3.39Å; Q414-L417 PolarHBondContact O-N 3.05Å; L417-A419 VanDerWaalsContact C-N 3.32Å; L417-A419 PolarHBondContact O-N 2.61Å; L417-E420 PolarHBondContact O-N 3.47Å; L417-E421 WeakPolarHBondContact O-CB 3.37Å; L417-E421 PolarHBondContact O-N 3.25Å
418	K	87.7	Confident	82	Confident	69 Å²	69	68.3 Å²	68.3	30%	0.3	34%	0.338	S	S	.	.	H	α-helix	trans	-61.7	-40	175.3	-179	-178	166.2	-168.6	0	111.8	E277 E322 Q414 E421 I422	E277-K418 VanDerWaalsContact OE1-CE 3.27Å; E277-K418 WeakPolarHBondContact OE1-CE 3.4Å; E277-K418 IonicContact OE1-NZ 3.86Å; E277-K418 PolarHBondContact OE1-NZ 3.05Å; E322-K418 WeakPolarHBondContact OE1-CD 3.2Å; E322-K418 WeakPolarHBondContact OE1-CE 2.98Å; E322-K418 IonicContact OE1-NZ 3.45Å; E322-K418 PolarHBondContact OE1-NZ 3.19Å; Q414-K418 WeakPolarHBondContact O-CB 3.39Å; Q414-K418 PolarHBondContact O-N 3.31Å; K418-E421 WeakPolarHBondContact O-CB 3.4Å; K418-E421 PolarHBondContact O-N 2.79Å; K418-I422 HydrophobicContact CG-CD1 4.16Å; K418-I422 VanDerWaalsContact O-CG1 3.3Å; K418-I422 WeakPolarHBondContact O-CG1 3.31Å; K418-I422 PolarHBondContact O-N 3.03Å
419	A	88.4	Confident	81.8	Confident	3 Å²	3	65.7 Å²	65.7	3%	0.025	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-40.6	175.3	0	0	0	0	0	112.3	L315 F318 V319 V415 S416 L417 I422 I423	L315-A419 HydrophobicContact CD1-CB 3.6Å; F318-A419 HydrophobicContact CB-CB 3.64Å; F318-A419 HydrophobicContact CG-CB 4.38Å; V319-A419 HydrophobicContact CG2-CB 4.43Å; V415-A419 WeakPolarHBondContact O-CB 3.02Å; V415-A419 PolarHBondContact O-N 3.09Å; S416-A419 PolarHBondContact O-N 3.4Å; L417-A419 VanDerWaalsContact C-N 3.32Å; L417-A419 PolarHBondContact O-N 2.61Å; A419-I422 PolarHBondContact O-N 3.27Å; A419-I423 WeakPolarHBondContact O-CD1 3.36Å; A419-I423 VanDerWaalsContact O-CG1 3.3Å; A419-I423 WeakPolarHBondContact O-CG1 3.28Å; A419-I423 PolarHBondContact O-N 3.18Å
420	E	88.1	Confident	80.7	Confident	98 Å²	98	66.6 Å²	66.6	46%	0.458	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-39	172.5	-72.6	177.6	179.7	0	0	111.9	L315 S416 L417 I423 T424	L315-E420 HydrophobicContact CD1-CG 4.2Å; S416-E420 WeakPolarHBondContact O-CG 3.46Å; S416-E420 PolarHBondContact O-N 3.14Å; L417-E420 PolarHBondContact O-N 3.47Å; E420-I423 PolarHBondContact O-N 2.82Å; E420-T424 WeakPolarHBondContact O-CB 3.33Å; E420-T424 WeakPolarHBondContact O-CG2 3.22Å; E420-T424 PolarHBondContact O-N 2.89Å; E420-T424 PolarHBondContact O-OG1 3.01Å
421	E	89.8	Confident	79	Confident	105 Å²	105	71.1 Å²	71.1	49%	0.491	34%	0.34	S	S	.	.	H	α-helix	trans	-64.3	-37.7	175.2	-161.6	-150.4	131.8	0	0	112.4	L417 K418 T424 K425	L417-E421 WeakPolarHBondContact O-CB 3.37Å; L417-E421 PolarHBondContact O-N 3.25Å; K418-E421 WeakPolarHBondContact O-CB 3.4Å; K418-E421 PolarHBondContact O-N 2.79Å; E421-T424 WeakPolarHBondContact CA-OG1 3.32Å; E421-T424 PolarHBondContact O-OG1 2.89Å; E421-K425 WeakPolarHBondContact O-CD 3.3Å; E421-K425 WeakPolarHBondContact O-CE 3.45Å; E421-K425 VanDerWaalsContact O-CG 3.3Å; E421-K425 WeakPolarHBondContact O-CG 3.47Å; E421-K425 PolarHBondContact O-N 2.74Å; E421-K425 WeakPolarHBondContact OE1-CE 3.32Å; E421-K425 IonicContact OE1-NZ 3.55Å; E421-K425 PolarHBondContact OE1-NZ 2.78Å
422	I	86.8	Confident	76.9	Confident	11 Å²	11	73.1 Å²	73.1	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-69.5	-41.1	175.9	-68.4	164.3	0	0	0	111.3	E281 F318 K418 A419 H426	E281-I422 HydrophobicContact CG-CG2 3.58Å; F318-I422 HydrophobicContact CD1-CD1 4.29Å; F318-I422 HydrophobicContact CE1-CD1 4.27Å; F318-I422 HydrophobicContact CE1-CG2 3.81Å; F318-I422 HydrophobicContact CE2-CG2 3.94Å; F318-I422 HydrophobicContact CZ-CB 4.47Å; F318-I422 HydrophobicContact CZ-CG2 3.44Å; F318-I422 VanDerWaalsContact CZ-CG2 3.44Å; K418-I422 HydrophobicContact CG-CD1 4.16Å; K418-I422 VanDerWaalsContact O-CG1 3.3Å; K418-I422 WeakPolarHBondContact O-CG1 3.31Å; K418-I422 PolarHBondContact O-N 3.03Å; A419-I422 PolarHBondContact O-N 3.27Å; I422-H426 PolarHBondContact O-ND1 2.86Å
423	I	85.8	Confident	74.7	Confident	6 Å²	6	77.4 Å²	77.4	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-67.9	-45.6	179	-72.6	166.3	0	0	0	111.2	F284 V311 F314 L315 F318 A419 E420 K425 H426 R427	F284-I423 HydrophobicContact CE1-CG2 4.14Å; F284-I423 HydrophobicContact CE2-CG2 4.49Å; F284-I423 HydrophobicContact CZ-CG2 3.82Å; V311-I423 HydrophobicContact CG1-CG2 4.18Å; V311-I423 HydrophobicContact CG2-CG2 3.92Å; F314-I423 HydrophobicContact CB-CD1 4.46Å; L315-I423 HydrophobicContact CB-CD1 3.99Å; F318-I423 HydrophobicContact CD2-CD1 4.41Å; F318-I423 HydrophobicContact CD2-CG1 4.37Å; F318-I423 HydrophobicContact CE2-CG1 4.22Å; A419-I423 WeakPolarHBondContact O-CD1 3.36Å; A419-I423 VanDerWaalsContact O-CG1 3.3Å; A419-I423 WeakPolarHBondContact O-CG1 3.28Å; A419-I423 PolarHBondContact O-N 3.18Å; E420-I423 PolarHBondContact O-N 2.82Å; I423-K425 VanDerWaalsContact C-N 3.26Å; I423-K425 PolarHBondContact O-N 3.06Å; I423-H426 PolarHBondContact O-N 2.8Å; I423-R427 PolarHBondContact O-N 2.81Å
424	T	84.8	Confident	72.4	Confident	61 Å²	61	80.2 Å²	80.2	37%	0.374	39%	0.391	S	S	.	.	H	α-helix	trans	-67.6	-19	-177.6	46.6	0	0	0	0	114.5	E420 E421 H426	E420-T424 WeakPolarHBondContact O-CB 3.33Å; E420-T424 WeakPolarHBondContact O-CG2 3.22Å; E420-T424 PolarHBondContact O-N 2.89Å; E420-T424 PolarHBondContact O-OG1 3.01Å; E421-T424 WeakPolarHBondContact CA-OG1 3.32Å; E421-T424 PolarHBondContact O-OG1 2.89Å; T424-H426 VanDerWaalsContact C-N 3.27Å; T424-H426 PolarHBondContact O-N 3.17Å
425	K	84.7	Confident	70.1	Confident	123 Å²	123	80.4 Å²	80.4	54%	0.535	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.2	169.9	-73.6	161.9	-169.1	165.2	0	113.8	E421 I423	E421-K425 WeakPolarHBondContact O-CD 3.3Å; E421-K425 WeakPolarHBondContact O-CE 3.45Å; E421-K425 VanDerWaalsContact O-CG 3.3Å; E421-K425 WeakPolarHBondContact O-CG 3.47Å; E421-K425 PolarHBondContact O-N 2.74Å; E421-K425 WeakPolarHBondContact OE1-CE 3.32Å; E421-K425 IonicContact OE1-NZ 3.55Å; E421-K425 PolarHBondContact OE1-NZ 2.78Å; I423-K425 VanDerWaalsContact C-N 3.26Å; I423-K425 PolarHBondContact O-N 3.06Å
426	H	80.5	Confident	67.6	Low	43 Å²	43	86.6 Å²	86.6	20%	0.199	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-39	-178.6	-62.9	90.8	0	0	0	111	F284 I422 I423 T424 H428	F284-H426 HydrophobicContact CD1-CB 3.79Å; F284-H426 HydrophobicContact CE1-CB 3.79Å; I422-H426 PolarHBondContact O-ND1 2.86Å; I423-H426 PolarHBondContact O-N 2.8Å; T424-H426 VanDerWaalsContact C-N 3.27Å; T424-H426 PolarHBondContact O-N 3.17Å; H426-H428 PolarHBondContact O-CE1 2.7Å; H426-H428 PolarHBondContact O-N 3.3Å; H426-H428 PolarHBondContact O-ND1 2.91Å
427	R	75.8	Confident	65	Low	47 Å²	47	92.3 Å²	92.3	18%	0.177	46%	0.457	C	S	.	.			trans	-50.4	103.8	-177.2	-167	175.7	-173.8	159.4	10.3	113.3	E288 E307 D308 I423 L430	E288-R427 VanDerWaalsContact OE1-CA 3.23Å; E288-R427 WeakPolarHBondContact OE1-CA 3.49Å; E307-R427 VanDerWaalsContact CD-NE 3.3Å; E307-R427 VanDerWaalsContact OE1-CG 3.27Å; E307-R427 WeakPolarHBondContact OE1-CG 3.44Å; E307-R427 IonicContact OE1-CZ 3.79Å; E307-R427 IonicContact OE1-NE 3.87Å; E307-R427 PolarHBondContact OE1-NE 3.47Å; E307-R427 IonicContact OE1-NH2 3.4Å; E307-R427 PolarHBondContact OE1-NH2 2.99Å; E307-R427 IonicContact OE2-CZ 2.66Å; E307-R427 IonicContact OE2-NE 2.87Å; E307-R427 IonicContact OE2-NH2 2.7Å; E307-R427 PolarHBondContact OE2-NH2 2.82Å; D308-R427 IonicContact OD1-CZ 3.11Å; D308-R427 IonicContact OD1-NH1 2.68Å; D308-R427 IonicContact OD1-NH2 2.84Å; D308-R427 PolarHBondContact OD1-NH2 3.46Å; I423-R427 PolarHBondContact O-N 2.81Å; R427-L430 HydrophobicContact CG-CD1 4.44Å; R427-L430 HydrophobicContact CG-CG 4.18Å
428	H	66.5	Low	62.3	Low	152 Å²	152	95.6 Å²	95.6	70%	0.704	47%	0.474	S	S	*	.			trans	-81.7	-18.4	-176.8	-68.4	-32.1	0	0	0	114.1	E288 H426	E288-H428 PolarHBondContact OE1-N 3.08Å; H426-H428 PolarHBondContact O-CE1 2.7Å; H426-H428 PolarHBondContact O-N 3.3Å; H426-H428 PolarHBondContact O-ND1 2.91Å
429	H	62.9	Low	59.4	Low	68 Å²	68	97.1 Å²	97.1	32%	0.315	49%	0.489	S	S	.	.			trans	-110.8	84.2	-174.5	-63.9	-85.5	0	0	0	112.4	W296	W296-H429 AromaticContact CD1-CD2 3.96Å; W296-H429 AromaticContact CD1-CE1 3.44Å; W296-H429 VanDerWaalsContact CD1-CE1 3.44Å; W296-H429 AromaticContact CD1-ND1 3.8Å; W296-H429 AromaticContact CD1-NE2 3.55Å; W296-H429 AromaticContact CE2-CD2 3.91Å; W296-H429 AromaticContact CE2-CG 3.63Å; W296-H429 AromaticContact CE2-ND1 3.87Å; W296-H429 AromaticContact CG-CE1 3.93Å; W296-H429 AromaticContact CG-ND1 4Å; W296-H429 HydrophobicContact CH2-CB 4.22Å; W296-H429 HydrophobicContact CZ2-CB 3.71Å; W296-H429 AromaticContact CZ2-CG 3.9Å; W296-H429 AromaticContact NE1-CD2 3.35Å; W296-H429 PolarHBondContact NE1-CD2 2.56Å; W296-H429 VanDerWaalsContact NE1-CD2 3.35Å; W296-H429 AromaticContact NE1-CE1 3.63Å; W296-H429 AromaticContact NE1-CG 3.53Å; W296-H429 AromaticContact NE1-ND1 3.7Å; W296-H429 AromaticContact NE1-NE2 3.43Å; W296-H429 PolarHBondContact NE1-NE2 2.99Å
430	L	53.1	Low	56.4	Low	75 Å²	75	103.3 Å²	103.3	39%	0.393	53%	0.527	S	S	.	.			trans	-126.9	129	176.2	-84.6	171	0	0	0	113.7	R427	R427-L430 HydrophobicContact CG-CD1 4.44Å; R427-L430 HydrophobicContact CG-CG 4.18Å
431	E	43	Very low	53.4	Low	175 Å²	175	106.9 Å²	106.9	82%	0.818	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-72	125.1	142.6	-173.8	174.8	-157.7	0	0	106.5	L433	E431-L433 PolarHBondContact O-N 3.29Å
432	P	33.2	Very low	50.5	Low	113 Å²	113	111 Å²	111	73%	0.734	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-56.9	136.7	-168.5	-29.5	35.8	0	0	0	114.6
433	L	35.3	Very low	47.6	Very low	137 Å²	137	115.5 Å²	115.5	72%	0.717	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-62.8	141.8	173.1	-84.3	168.7	0	0	0	111.1	E431 S435	E431-L433 PolarHBondContact O-N 3.29Å; L433-S435 PolarHBondContact O-N 2.92Å
434	Y	34.5	Very low	44.9	Very low	159 Å²	159	123.3 Å²	123.3	62%	0.624	64%	0.64	S	S	*	*			trans	-83.2	71.9	-156.1	-153.6	-59.2	0	0	0	112.9	D436 K437	Y434-D436 VanDerWaalsContact C-N 3.29Å; Y434-D436 HydrophobicContact CE1-CB 4.36Å; Y434-D436 WeakPolarHBondContact CE1-O 3.2Å; Y434-D436 PolarHBondContact O-N 2.9Å; Y434-K437 HydrophobicContact CD1-CB 4.04Å; Y434-K437 HydrophobicContact CD1-CD 3.8Å; Y434-K437 HydrophobicContact CD1-CG 4Å; Y434-K437 HydrophobicContact CE1-CB 4.16Å; Y434-K437 HydrophobicContact CE1-CD 3.69Å; Y434-K437 HydrophobicContact CE1-CG 3.7Å; Y434-K437 VanDerWaalsContact CE2-NZ 3.33Å
435	S	33.2	Very low	42.1	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	67%	0.666	S	S	*	*			trans	-65.6	-28.6	174.1	-59.6	0	0	0	0	113.4	L433 K437	L433-S435 PolarHBondContact O-N 2.92Å; S435-K437 PolarHBondContact O-N 2.64Å
436	D	31.9	Very low	39.3	Very low	135 Å²	135	130.1 Å²	130.1	72%	0.722	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	44.2	-175.6	-76.9	-4.2	0	0	0	114.6	Y434	Y434-D436 VanDerWaalsContact C-N 3.29Å; Y434-D436 HydrophobicContact CE1-CB 4.36Å; Y434-D436 WeakPolarHBondContact CE1-O 3.2Å; Y434-D436 PolarHBondContact O-N 2.9Å
437	K	32.3	Very low	36.6	Very low	151 Å²	151	139.9 Å²	139.9	66%	0.657	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	1.2	175.7	-114.8	166.2	-162.5	134.4	0	115.8	Y434 S435	Y434-K437 HydrophobicContact CD1-CB 4.04Å; Y434-K437 HydrophobicContact CD1-CD 3.8Å; Y434-K437 HydrophobicContact CD1-CG 4Å; Y434-K437 HydrophobicContact CE1-CB 4.16Å; Y434-K437 HydrophobicContact CE1-CD 3.69Å; Y434-K437 HydrophobicContact CE1-CG 3.7Å; Y434-K437 VanDerWaalsContact CE2-NZ 3.33Å; S435-K437 PolarHBondContact O-N 2.64Å
438	L	29	Very low	34.3	Very low	171 Å²	171	145.2 Å²	145.2	90%	0.895	75%	0.745	S	S	*	*	S	Bend	trans	-91.7	-9.7	173.5	-139.6	73.6	0	0	0	113.9
439	T	27.3	Very low	32.2	Very low	101 Å²	101	147.4 Å²	147.4	62%	0.62	75%	0.753	S	S	*	*	S	Bend	trans	-125	147.9	-174	47.4	0	0	0	0	114	N441	T439-N441 PolarHBondContact O-N 2.87Å
440	T	26.9	Very low	30.4	Very low	134 Å²	134	149 Å²	149	82%	0.822	77%	0.769	S	S	*	*			trans	50.2	57.3	161.2	53.8	0	0	0	0	119.2	K442	T440-K442 VanDerWaalsContact C-N 3.31Å; T440-K442 PolarHBondContact O-N 3.03Å
441	N	24.9	Very low	29	Very low	173 Å²	173	151.2 Å²	151.2	93%	0.925	79%	0.788	S	S	*	*			trans	-67.9	81	161.2	-139.6	-16.9	0	0	0	111.6	T439	T439-N441 PolarHBondContact O-N 2.87Å
442	K	27.7	Very low	28.1	Very low	190 Å²	190	154 Å²	154	83%	0.826	79%	0.791	S	S	*	*			trans	-157.6	117.1	168.4	-113	163.6	-173.3	174.1	0	113.1	T440	T440-K442 VanDerWaalsContact C-N 3.31Å; T440-K442 PolarHBondContact O-N 3.03Å
443	S	27	Very low	28	Very low	106 Å²	106	157 Å²	157	74%	0.741	79%	0.787	S	S	*	*			trans	44.8	97.9	161.2	57.5	0	0	0	0	118.9
444	N	27.8	Very low	27.6	Very low	171 Å²	171	158.6 Å²	158.6	91%	0.914	79%	0.791	S	S	*	*				-159.7	163.1	105.1	-111.9	-39.3	0	0	0	114.3
445	K	26	Very low	27.2	Very low	208 Å²	208	160.4 Å²	160.4	90%	0.904	80%	0.802	S	S	*	*			trans	-109.2	115.2	178.9	-65.5	170.8	-178.1	168.9	0	110.2
446	S	27.6	Very low	26.8	Very low	119 Å²	119	163.7 Å²	163.7	83%	0.832	81%	0.808	S	S	*	*			trans	-135.8	157.7	157.9	73.2	0	0	0	0	110.1
447	R	23	Very low	26.5	Very low	248 Å²	248	165.1 Å²	165.1	94%	0.936	81%	0.814	S	S	*	*			trans	-117.3	96.8	-172.1	-71.7	176.4	173.6	171.9	-2.8	110.9
448	I	27	Very low	26.3	Very low	159 Å²	159	164.8 Å²	164.8	82%	0.815	82%	0.819	S	S	*	*			trans	-128.9	135.8	152.8	-56.5	-178.6	0	0	0	106.6
449	K	21.8	Very low	26.2	Very low	198 Å²	198	164 Å²	164	86%	0.861	82%	0.815	S	S	*	*			trans	-112.3	107.5	178.3	-72.8	179.2	179.6	173.5	0	108.8
450	P	25.7	Very low	26.4	Very low	100 Å²	100	167.2 Å²	167.2	65%	0.649	82%	0.823	S	S	*	*			trans	-58.5	154.1	163.4	-21.9	33.9	0	0	0	110.8	R452	P450-R452 PolarHBondContact O-N 2.03Å
451	P	23.7	Very low	26.6	Very low	122 Å²	122	166.3 Å²	166.3	79%	0.792	82%	0.819	S	S	*	*			trans	-61.7	135.5	174.4	26.7	-33.7	0	0	0	110.4	R453	P451-R453 PolarHBondContact O-N 3.34Å
452	R	23.9	Very low	27.2	Very low	233 Å²	233	165 Å²	165	88%	0.879	81%	0.806	S	S	*	*			trans	-70.8	88.9	179.4	-69.8	172.4	167.6	172.9	-7.5	110.4	P450 H454	P450-R452 PolarHBondContact O-N 2.03Å; R452-H454 PolarHBondContact O-N 2.93Å
453	R	31	Very low	27	Very low	177 Å²	177	159.5 Å²	159.5	67%	0.668	80%	0.803	S	S	*	*			trans	-58.4	131.5	164.6	-97.9	-177	173.2	175	-2.7	109	Q304 P451	Q304-R453 VanDerWaalsContact OE1-CZ 3.29Å; P451-R453 PolarHBondContact O-N 3.34Å
454	H	27.5	Very low	26.8	Very low	171 Å²	171	157.4 Å²	157.4	79%	0.792	80%	0.798	S	S	*	*			trans	-71	150.6	-175.4	-82.4	-110.2	0	0	0	111.2	R452 M456	R452-H454 PolarHBondContact O-N 2.93Å; H454-M456 VanDerWaalsContact C-N 3.35Å; H454-M456 PolarHBondContact O-N 2.9Å
455	K	26.2	Very low	26.7	Very low	196 Å²	196	156.2 Å²	156.2	85%	0.852	79%	0.792	S	S	*	*			trans	-68.5	86.3	174.3	-69.6	-175	175.4	-173.5	0	111.3	L457	K455-L457 VanDerWaalsContact C-N 3.29Å
456	M	24.2	Very low	26.8	Very low	174 Å²	174	155.7 Å²	155.7	86%	0.857	79%	0.789	S	S	*	*			trans	-97.4	46.1	161.5	-72.2	-168.7	66.6	0	0	111.4	H454	H454-M456 VanDerWaalsContact C-N 3.35Å; H454-M456 PolarHBondContact O-N 2.9Å
457	L	27.1	Very low	26.7	Very low	165 Å²	165	156.1 Å²	156.1	86%	0.864	78%	0.782	S	S	*	*			trans	-119.9	59.3	170.4	-85	166.9	0	0	0	109.7	K455	K455-L457 VanDerWaalsContact C-N 3.29Å
458	I	27.9	Very low	26.9	Very low	145 Å²	145	153.2 Å²	153.2	74%	0.744	78%	0.776	S	S	*	*			trans	-138.7	70.6	166.1	-49.7	179.3	0	0	0	107.4
459	N	27.1	Very low	26.7	Very low	154 Å²	154	152.8 Å²	152.8	82%	0.824	78%	0.776	S	S	*	*			trans	-161.3	52.6	167.1	-100.3	-14.7	0	0	0	110
460	H	29.7	Very low	26.9	Very low	168 Å²	168	151.7 Å²	151.7	78%	0.778	77%	0.772	S	S	*	*			trans	-61	130.6	156.7	-73.4	-54.2	0	0	0	107.5	F462	H460-F462 PolarHBondContact O-N 2.88Å
461	P	32.2	Very low	26.8	Very low	115 Å²	115	152.1 Å²	152.1	75%	0.747	78%	0.777	S	S	*	*	S	Bend	trans	-59.5	-17.8	-177.6	-28	36.4	0	0	0	114.8	G463	P461-G463 VanDerWaalsContact C-N 3.29Å; P461-G463 PolarHBondContact O-N 3.38Å
462	F	37.3	Very low	26.9	Very low	146 Å²	146	153.2 Å²	153.2	64%	0.64	78%	0.776	S	S	*	*			trans	-80.3	71.6	179.6	-61.7	-70.5	0	0	0	112.4	Q412 H460 G464	Q412-F462 HydrophobicContact CG-CE2 3.79Å; Q412-F462 HydrophobicContact CG-CZ 3.63Å; H460-F462 PolarHBondContact O-N 2.88Å; F462-G464 PolarHBondContact O-N 3.45Å
463	G	22.5	Very low	26.8	Very low	75 Å²	75	147 Å²	147	77%	0.773	77%	0.768	S	S	*	*			trans	-67.5	54.6	167.5	0	0	0	0	0	113.5	P461 N465	P461-G463 VanDerWaalsContact C-N 3.29Å; P461-G463 PolarHBondContact O-N 3.38Å; G463-N465 PolarHBondContact O-N 2.92Å; G463-N465 VanDerWaalsContact O-N 3.1Å
464	G	24.4	Very low	26.5	Very low	62 Å²	62	147.5 Å²	147.5	64%	0.639	78%	0.778	S	S	*	*			trans	-62.7	108.2	179.8	0	0	0	0	0	111.5	F462 K466	F462-G464 PolarHBondContact O-N 3.45Å; G464-K466 PolarHBondContact O-N 3.37Å
465	N	25.2	Very low	26.3	Very low	146 Å²	146	147 Å²	147	78%	0.781	78%	0.776	S	S	*	*			trans	-64	95.6	-170.3	-175.1	1.1	0	0	0	113	G463 N467	G463-N465 PolarHBondContact O-N 2.92Å; G463-N465 VanDerWaalsContact O-N 3.1Å; N465-N467 VanDerWaalsContact C-N 3.33Å; N465-N467 PolarHBondContact O-N 3.43Å
466	K	27	Very low	26	Very low	196 Å²	196	146 Å²	146	85%	0.852	78%	0.776	S	S	*	*			trans	-72.9	81.4	169.4	-70.7	-176.6	178.8	178.5	0	110.9	G464	G464-K466 PolarHBondContact O-N 3.37Å
467	N	26	Very low	25.8	Very low	128 Å²	128	145.7 Å²	145.7	68%	0.684	77%	0.77	S	S	*	*			trans	-168.9	104.1	152.2	-100.8	-30.9	0	0	0	113.2	N465	N465-N467 VanDerWaalsContact C-N 3.33Å; N465-N467 PolarHBondContact O-N 3.43Å
468	K	27.2	Very low	25.6	Very low	187 Å²	187	143.3 Å²	143.3	81%	0.813	76%	0.762	S	S	*	*			trans	-168.2	93.7	144.7	-108.8	161.8	-172	178.1	0	110.2	F470	K468-F470 PolarHBondContact O-N 2.95Å; K468-F470 VanDerWaalsContact O-N 3.08Å
469	N	23.6	Very low	25.2	Very low	150 Å²	150	142 Å²	142	80%	0.802	76%	0.761	S	S	*	*			trans	-69.6	100.1	168.3	-66.7	-18.1	0	0	0	108.6
470	F	25.8	Very low	25	Very low	176 Å²	176	140 Å²	140	77%	0.772	76%	0.755	S	S	*	*			trans	-106.1	78.5	163.3	-103.3	-78.9	0	0	0	109.9	K468 N472	K468-F470 PolarHBondContact O-N 2.95Å; K468-F470 VanDerWaalsContact O-N 3.08Å; F470-N472 PolarHBondContact O-N 3.5Å
471	S	22.6	Very low	24.5	Very low	109 Å²	109	139 Å²	139	76%	0.762	75%	0.754	S	S	*	*			trans	-66.2	108.4	161.9	-55.7	0	0	0	0	108.5
472	N	27.2	Very low	24	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	75%	0.753	S	S	*	*			trans	-150.4	125.5	156.3	-105.8	-22.8	0	0	0	109.9	F470	F470-N472 PolarHBondContact O-N 3.5Å
473	S	21	Very low	23.1	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	75%	0.754	S	S	*	*			trans	-95.7	117	-171.6	54.9	0	0	0	0	111.8
474	H	26	Very low	23	Very low	189 Å²	189	141 Å²	141	88%	0.875	76%	0.756	S	S	*	*			trans	-125.5	88.7	155.4	-75.1	-69.5	0	0	0	109.7	M476	H474-M476 PolarHBondContact O-N 3.03Å
475	Q	21.5	Very low	22.8	Very low	160 Å²	160	144.7 Å²	144.7	75%	0.748	77%	0.766	S	S	*	*			trans	-70.3	113.8	165.3	-68.8	-175.2	4.3	0	0	108.6
476	M	21.5	Very low	22.5	Very low	176 Å²	176	141.7 Å²	141.7	87%	0.867	76%	0.757	S	S	*	*			trans	-112.4	92.9	162.1	-154.5	166	-166.5	0	0	108.6	H474 T478	H474-M476 PolarHBondContact O-N 3.03Å; M476-T478 PolarHBondContact O-N 2.78Å
477	K	19.8	Very low	22.2	Very low	167 Å²	167	139.4 Å²	139.4	73%	0.726	75%	0.754	S	S	*	*			trans	-80.2	94.4	-179.6	-69.9	179	179.6	174.4	0	110.2	T479	K477-T479 PolarHBondContact O-N 3.08Å
478	T	21.7	Very low	22	Very low	114 Å²	114	141.2 Å²	141.2	70%	0.699	76%	0.762	S	S	*	*			trans	-93.7	86.4	170.2	-49.7	0	0	0	0	109.8	M476 T480	M476-T478 PolarHBondContact O-N 2.78Å; T478-T480 VanDerWaalsContact C-N 3.32Å; T478-T480 PolarHBondContact O-N 2.8Å
479	T	20.3	Very low	21.7	Very low	118 Å²	118	136.9 Å²	136.9	72%	0.724	75%	0.752	S	S	*	*			trans	-76.4	78.5	179.4	-51.2	0	0	0	0	110.9	K477 I481	K477-T479 PolarHBondContact O-N 3.08Å; T479-I481 HydrophobicContact CG2-CG1 4.39Å; T479-I481 PolarHBondContact O-N 3.11Å; T479-I481 VanDerWaalsContact O-N 3.14Å
480	T	22.7	Very low	21.5	Very low	112 Å²	112	134.1 Å²	134.1	69%	0.687	74%	0.737	S	S	*	*			trans	-74.7	101.7	173.8	-56.6	0	0	0	0	110.1	T478 I482	T478-T480 VanDerWaalsContact C-N 3.32Å; T478-T480 PolarHBondContact O-N 2.8Å; T480-I482 PolarHBondContact O-N 3.18Å
481	I	19.9	Very low	21.2	Very low	147 Å²	147	128.9 Å²	128.9	75%	0.754	72%	0.716	S	S	*	*			trans	-72.8	107.2	176.6	-58.5	170.7	0	0	0	108.7	T479	T479-I481 HydrophobicContact CG2-CG1 4.39Å; T479-I481 PolarHBondContact O-N 3.11Å; T479-I481 VanDerWaalsContact O-N 3.14Å
482	I	20.1	Very low	21.1	Very low	143 Å²	143	124.9 Å²	124.9	73%	0.733	69%	0.686	S	S	*	*			trans	-85.8	119.1	171.3	-59.1	178.3	0	0	0	108.1	T480 T484	T480-I482 PolarHBondContact O-N 3.18Å; I482-T484 PolarHBondContact O-N 2.89Å
483	P	19.9	Very low	20.8	Very low	101 Å²	101	121.5 Å²	121.5	66%	0.656	67%	0.67	S	S	*	*			trans	-72.7	126.7	-175	28	-34.1	0	0	0	112	V485	P483-V485 PolarHBondContact O-N 3.04Å; P483-V485 VanDerWaalsContact O-N 3.11Å
484	T	18.9	Very low	20.9	Very low	134 Å²	134	122 Å²	122	82%	0.822	66%	0.66	S	S	*	*			trans	-75.1	94.3	175.1	50.7	0	0	0	0	111.1	I482 S486	I482-T484 PolarHBondContact O-N 2.89Å; T484-S486 PolarHBondContact O-N 2.83Å
485	V	21.2	Very low	20.7	Very low	139 Å²	139	116.6 Å²	116.6	84%	0.842	64%	0.644	S	S	*	*			trans	-89.7	96.6	170.9	-175.6	0	0	0	0	109.6	P483	P483-V485 PolarHBondContact O-N 3.04Å; P483-V485 VanDerWaalsContact O-N 3.11Å
486	S	18.6	Very low	20.6	Very low	84 Å²	84	118.4 Å²	118.4	59%	0.587	65%	0.649	S	S	*	*			trans	-77.4	151.6	172.9	-53.5	0	0	0	0	111.8	T484	T484-S486 PolarHBondContact O-N 2.83Å
487	N	21.5	Very low	20.4	Very low	148 Å²	148	118.3 Å²	118.3	79%	0.791	65%	0.651	S	S	*	*			trans	69.9	113	164.7	-44.1	-36.7	0	0	0	117.4
488	L	20.4	Very low	20.4	Very low	165 Å²	165	115.8 Å²	115.8	86%	0.864	66%	0.655	S	S	*	*				-167.8	110.9	110.8	-127.2	71.4	0	0	0	114.7	D490	L488-D490 PolarHBondContact O-N 3.12Å
489	V	20.7	Very low	20.2	Very low	97 Å²	97	116.6 Å²	116.6	59%	0.588	66%	0.66	S	S	*	*			trans	18.1	91.1	142.2	-166.3	0	0	0	0	119.1
490	D	19.4	Very low	20.1	Very low	92 Å²	92	116.5 Å²	116.5	49%	0.492	66%	0.659	S	S	.	*				37.6	79.4	118	-67	-1.3	0	0	0	120.9	L488 Y597	L488-D490 PolarHBondContact O-N 3.12Å; D490-Y597 HydrophobicContact CB-CE2 3.77Å; D490-Y597 WeakPolarHBondContact OD1-CE2 3.42Å; D490-Y597 VanDerWaalsContact OD1-CZ 3.27Å; D490-Y597 PolarHBondContact OD1-OH 2.89Å; D490-Y597 WeakPolarHBondContact OD2-CE2 3.42Å
491	I	19.5	Very low	20	Very low	65 Å²	65	118.2 Å²	118.2	33%	0.333	66%	0.664	S	S	.	*			trans	-154.1	138.3	167.7	50.6	-173.9	0	0	0	114.4	R589 N593	I491-R589 HydrophobicContact CB-CG 4.15Å; I491-R589 HydrophobicContact CD1-CG 4.49Å; I491-R589 WeakPolarHBondContact CG2-O 3.14Å; I491-N593 VanDerWaalsContact C-CG 3.44Å; I491-N593 WeakPolarHBondContact CA-ND2 3.43Å; I491-N593 PolarHBondContact N-ND2 3.1Å; I491-N593 VanDerWaalsContact N-ND2 3.15Å
492	D	21.9	Very low	19.9	Very low	26 Å²	26	121.3 Å²	121.3	14%	0.139	67%	0.668	C	S	.	*			cis	-174.4	141.2	-8	-114.6	-130.6	0	0	0	113.7	R589 R590 Y591 F592 N593	D492-R589 HydrophobicContact CB-CB 4.39Å; D492-R589 HydrophobicContact CB-CG 3.87Å; D492-R589 WeakPolarHBondContact CB-O 3.4Å; D492-R589 WeakPolarHBondContact OD1-CA 3.32Å; D492-R589 VanDerWaalsContact OD1-O 3.1Å; D492-R590 WeakPolarHBondContact OD1-CA 3.41Å; D492-R590 PolarHBondContact OD1-N 3.01Å; D492-Y591 PolarHBondContact OD1-N 3.04Å; D492-F592 HydrophobicContact CB-CB 3.58Å; D492-F592 VanDerWaalsContact CG-CB 3.41Å; D492-F592 WeakPolarHBondContact OD1-CA 3.48Å; D492-F592 WeakPolarHBondContact OD1-CB 3.27Å; D492-F592 PolarHBondContact OD1-N 3.44Å; D492-N593 WeakPolarHBondContact CA-OD1 3.33Å; D492-N593 HydrophobicContact CB-CB 4.42Å; D492-N593 VanDerWaalsContact N-CG 3.32Å; D492-N593 PolarHBondContact N-OD1 3.4Å; D492-N593 PolarHBondContact OD1-N 2.86Å; D492-N593 WeakPolarHBondContact OD2-CA 3.46Å; D492-N593 WeakPolarHBondContact OD2-CB 3.49Å; D492-N593 PolarHBondContact OD2-N 2.93Å
493	V	21	Very low	19.9	Very low	72 Å²	72	120.6 Å²	120.6	44%	0.436	68%	0.675	S	S	.	*			trans	-174.8	133.8	152	57.9	0	0	0	0	120.5	F592 I595	V493-F592 CarbonylContact C-O 3.57Å; V493-F592 VanDerWaalsContact CA-CG 3.47Å; V493-F592 WeakPolarHBondContact CA-O 3.5Å; V493-F592 HydrophobicContact CB-CD1 4.37Å; V493-F592 VanDerWaalsContact N-CB 3.35Å; V493-F592 PolarHBondContact N-O 3.04Å; V493-I595 VanDerWaalsContact O-CG2 3.22Å; V493-I595 WeakPolarHBondContact O-CG2 3.37Å
494	K	22.3	Very low	19.8	Very low	112 Å²	112	121.6 Å²	121.6	49%	0.487	69%	0.685	S	S	.	*			trans	-152.5	163.5	149.1	-115.1	-177.1	-149.1	167.2	0	114.9	F592 I595	K494-F592 VanDerWaalsContact N-CD2 3.31Å; K494-F592 WeakPolarHBondContact O-CD2 3.38Å; K494-F592 WeakPolarHBondContact O-CE2 3.4Å; K494-F592 WeakPolarHBondContact O-CZ 3.43Å; K494-I595 HydrophobicContact CB-CB 4.37Å; K494-I595 HydrophobicContact CB-CD1 3.8Å; K494-I595 HydrophobicContact CB-CG1 4.37Å; K494-I595 HydrophobicContact CB-CG2 3.26Å; K494-I595 HydrophobicContact CD-CB 4.34Å; K494-I595 HydrophobicContact CD-CD1 4.05Å; K494-I595 HydrophobicContact CD-CG1 4Å; K494-I595 HydrophobicContact CD-CG2 3.63Å; K494-I595 HydrophobicContact CG-CD1 4.47Å; K494-I595 HydrophobicContact CG-CG2 3.38Å
495	S	21.2	Very low	19.8	Very low	77 Å²	77	120.8 Å²	120.8	54%	0.538	68%	0.684	S	S	.	*			trans	72.7	134.3	164.1	-140.9	0	0	0	0	114.2
496	F	19.6	Very low	19.7	Very low	197 Å²	197	122 Å²	122	86%	0.864	69%	0.685	S	S	*	*			cis	-110.4	164.2	10	-82.1	-99.8	0	0	0	114
497	L	18.9	Very low	19.7	Very low	174 Å²	174	123.3 Å²	123.3	91%	0.911	69%	0.694	S	S	*	*			trans	-120.1	139.4	164.7	-74.9	168	0	0	0	108.1
498	S	18.7	Very low	19.6	Very low	115 Å²	115	123.2 Å²	123.2	80%	0.804	69%	0.693	S	S	*	*			trans	-157.6	115.2	162.1	55.1	0	0	0	0	109
499	T	18.4	Very low	19.6	Very low	130 Å²	130	122.8 Å²	122.8	80%	0.798	69%	0.692	S	S	*	*			trans	-87	159.6	172.4	42.3	0	0	0	0	110.6
500	V	18.1	Very low	19.6	Very low	117 Å²	117	125.6 Å²	125.6	71%	0.709	70%	0.698	S	S	*	*			trans	-127.1	121.5	173	178.2	0	0	0	0	107.6
501	D	19.1	Very low	19.8	Very low	147 Å²	147	128.2 Å²	128.2	79%	0.786	71%	0.712	S	S	*	*			trans	-93.5	145.8	179.1	-69.6	-58.1	0	0	0	111.6
502	Y	19.3	Very low	19.9	Very low	213 Å²	213	133.1 Å²	133.1	84%	0.835	73%	0.734	S	S	*	*			trans	-107.6	133.3	176.8	-67.6	-101.9	0	0	0	109.8
503	S	18.7	Very low	20	Very low	127 Å²	127	140.9 Å²	140.9	89%	0.888	77%	0.769	S	S	*	*			trans	-154.6	141.4	168.4	-78.7	0	0	0	0	110.1
504	S	18.6	Very low	19.9	Very low	123 Å²	123	143.3 Å²	143.3	86%	0.86	78%	0.784	S	S	*	*			trans	-128.2	145.1	-159.3	50	0	0	0	0	114
505	S	19.2	Very low	20	Very low	116 Å²	116	142.9 Å²	142.9	81%	0.811	79%	0.792	S	S	*	*			trans	-158.2	112.2	162	57	0	0	0	0	106.8
506	L	18.7	Very low	20.1	Very low	165 Å²	165	147.6 Å²	147.6	86%	0.864	81%	0.806	S	S	*	*			cis	86.6	80.7	42.3	-163.1	113.3	0	0	0	113.4
507	S	19.5	Very low	20.1	Very low	111 Å²	111	145.1 Å²	145.1	78%	0.776	80%	0.8	S	S	*	*			trans	-153.5	98.8	157.7	55.7	0	0	0	0	106.7
508	L	18.7	Very low	20.5	Very low	147 Å²	147	144.8 Å²	144.8	77%	0.77	80%	0.799	S	S	*	*				60	88.9	65.7	-156.9	169.8	0	0	0	111.3
509	N	21.1	Very low	20.5	Very low	156 Å²	156	144.3 Å²	144.3	83%	0.834	80%	0.796	S	S	*	*			trans	-144.2	155.5	147.7	-154.1	-2.1	0	0	0	109.6
510	Q	20.6	Very low	20.8	Very low	156 Å²	156	143.6 Å²	143.6	73%	0.729	80%	0.796	S	S	*	*			trans	-107.7	152.9	-170.3	-62.5	168.5	-52.2	0	0	111.1
511	N	23.2	Very low	21.1	Very low	147 Å²	147	146.6 Å²	146.6	79%	0.786	80%	0.802	S	S	*	*			trans	158.5	107.1	147.3	-79.1	-20.2	0	0	0	107.2
512	Q	20.3	Very low	21	Very low	168 Å²	168	148.4 Å²	148.4	79%	0.785	81%	0.808	S	S	*	*				54.3	93.2	79.6	-63.9	-169.7	-2.7	0	0	113.1
513	H	24.2	Very low	21.2	Very low	189 Å²	189	144.1 Å²	144.1	88%	0.875	81%	0.805	S	S	*	*				-167.7	111.4	120.6	-100.9	-62.9	0	0	0	113.1
514	T	19.7	Very low	21.3	Very low	123 Å²	123	147.1 Å²	147.1	76%	0.755	80%	0.804	S	S	*	*			trans	-79.8	172.4	154.2	49.4	0	0	0	0	110.5
515	P	24.6	Very low	21.6	Very low	102 Å²	102	148 Å²	148	66%	0.662	80%	0.799	S	S	*	*			cis	-131.3	-179.4	-25.1	32	-12.7	0	0	0	112.3
516	H	22.3	Very low	21.7	Very low	177 Å²	177	151.3 Å²	151.3	82%	0.819	80%	0.799	S	S	*	*				-173.7	148.8	111.6	-113.7	-86	0	0	0	114
517	I	21.1	Very low	21.8	Very low	145 Å²	145	149.3 Å²	149.3	74%	0.744	79%	0.794	S	S	*	*			trans	-90.6	145.9	174.4	-63.9	158.1	0	0	0	109.2
518	N	25.6	Very low	21.8	Very low	167 Å²	167	150.3 Å²	150.3	89%	0.893	80%	0.796	S	S	*	*			trans	-146.1	145.9	151.3	-114.8	-18.2	0	0	0	110.4
519	S	19.7	Very low	22	Very low	105 Å²	105	149.4 Å²	149.4	73%	0.734	80%	0.796	S	S	*	*			trans	-139.9	110.8	-169.3	56.7	0	0	0	0	112
520	S	24.9	Very low	22	Very low	114 Å²	114	150.8 Å²	150.8	80%	0.797	80%	0.797	S	S	*	*			trans	-167.1	153.4	175.6	46.3	0	0	0	0	108.6
521	E	23.6	Very low	22	Very low	181 Å²	181	153.4 Å²	153.4	85%	0.846	81%	0.807	S	S	*	*			cis	-158.8	156.6	-19.6	179.6	164.7	-163.1	0	0	107.4
522	M	18	Very low	22	Very low	185 Å²	185	149.9 Å²	149.9	91%	0.911	81%	0.805	S	S	*	*			trans	-75.3	130.4	-174.3	-67	173.1	64.3	0	0	112.5
523	T	23.4	Very low	22.2	Very low	123 Å²	123	147.3 Å²	147.3	76%	0.755	81%	0.806	S	S	*	*			trans	-134.6	120.2	163.1	39.7	0	0	0	0	111.4	N525	T523-N525 PolarHBondContact O-N 3.22Å
524	E	20.8	Very low	22.1	Very low	189 Å²	189	149 Å²	149	88%	0.883	81%	0.806	S	S	*	*			trans	-100.8	76.7	-170.4	-169.1	179.4	-154.4	0	0	111.2	K526	E524-K526 PolarHBondContact O-N 3.41Å
525	N	25.3	Very low	22.4	Very low	141 Å²	141	152 Å²	152	75%	0.754	81%	0.812	S	S	*	*			trans	-79.8	87.9	-174.6	-79.8	-25.7	0	0	0	113.1	T523 T527	T523-N525 PolarHBondContact O-N 3.22Å; N525-T527 PolarHBondContact O-N 3.35Å; N525-T527 VanDerWaalsContact O-N 3.16Å
526	K	19.5	Very low	22.4	Very low	187 Å²	187	154.8 Å²	154.8	81%	0.813	82%	0.821	S	S	*	*			trans	-81.5	80.8	179.6	-170.2	174.4	-176	170.7	0	112.9	E524 T528	E524-K526 PolarHBondContact O-N 3.41Å; K526-T528 PolarHBondContact O-N 3.44Å
527	T	22	Very low	22.4	Very low	123 Å²	123	154.1 Å²	154.1	76%	0.755	82%	0.822	S	S	*	*			trans	-83.4	104.8	179.2	39.5	0	0	0	0	113.3	N525 V529	N525-T527 PolarHBondContact O-N 3.35Å; N525-T527 VanDerWaalsContact O-N 3.16Å; T527-V529 PolarHBondContact O-N 3.23Å
528	T	19.3	Very low	22.4	Very low	132 Å²	132	152.2 Å²	152.2	81%	0.81	82%	0.821	S	S	*	*			trans	-75	108.8	170.2	49.5	0	0	0	0	111.3	K526	K526-T528 PolarHBondContact O-N 3.44Å
529	V	22.2	Very low	22.2	Very low	128 Å²	128	150.5 Å²	150.5	78%	0.776	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-88	131.4	172.6	-177.3	0	0	0	0	109.6	T527	T527-V529 PolarHBondContact O-N 3.23Å
530	Q	21.7	Very low	22.4	Very low	185 Å²	185	151 Å²	151	86%	0.864	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-85	149	178.4	-75.6	-154.1	-31.9	0	0	113.2
531	F	20.9	Very low	22.3	Very low	210 Å²	210	153 Å²	153	92%	0.921	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.3	120	177.1	-70.2	-97.2	0	0	0	111.2
532	G	23.2	Very low	22.3	Very low	73 Å²	73	151.9 Å²	151.9	75%	0.753	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-72.2	142.7	168.9	0	0	0	0	0	111.7
533	S	24	Very low	22.6	Very low	114 Å²	114	150.9 Å²	150.9	80%	0.797	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-82.2	147.2	-174.6	49.4	0	0	0	0	113.9
534	Y	22.9	Very low	22.8	Very low	226 Å²	226	150.6 Å²	150.6	89%	0.886	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-63	142.4	175.1	-66.3	-97	0	0	0	112.1
535	Q	26.1	Very low	23.2	Very low	186 Å²	186	148.7 Å²	148.7	87%	0.869	80%	0.804	S	S	*	*			trans	-117.8	134.2	160	-71	-165.3	-9.1	0	0	110.2
536	N	24	Very low	23.1	Very low	160 Å²	160	153.5 Å²	153.5	86%	0.856	81%	0.812	S	S	*	*			trans	-82.2	126.8	-175	-63.8	-40.1	0	0	0	111.1
537	I	22	Very low	23.6	Very low	163 Å²	163	150.3 Å²	150.3	84%	0.836	81%	0.807	S	S	*	*			trans	-92.9	113.8	168.3	-61.6	175.6	0	0	0	108.3
538	S	21.8	Very low	23.7	Very low	104 Å²	104	151.4 Å²	151.4	73%	0.727	81%	0.808	S	S	*	*			trans	-82.8	130.5	178.9	44.3	0	0	0	0	111.9	V540	S538-V540 PolarHBondContact O-N 2.9Å
539	V	22.1	Very low	24.3	Very low	132 Å²	132	152.4 Å²	152.4	80%	0.8	81%	0.808	S	S	*	*			trans	-86.8	111	-178.8	-179.7	0	0	0	0	110.2	M541	V539-M541 PolarHBondContact O-N 3.32Å
540	V	23.2	Very low	24.4	Very low	116 Å²	116	152.6 Å²	152.6	70%	0.703	81%	0.81	S	S	*	*			trans	-87.7	105.5	177.5	-179.6	0	0	0	0	110.4	S538 L542	S538-V540 PolarHBondContact O-N 2.9Å; V540-L542 PolarHBondContact O-N 3.28Å; V540-L542 VanDerWaalsContact O-N 3.07Å
541	M	21.9	Very low	24.8	Very low	154 Å²	154	149.2 Å²	149.2	76%	0.759	81%	0.807	S	S	*	*			trans	-75.6	86.6	176.2	-79.1	-85	-104	0	0	111.9	V539 H543	V539-M541 PolarHBondContact O-N 3.32Å; M541-H543 PolarHBondContact O-N 3Å; M541-H543 VanDerWaalsContact O-N 3.11Å; M541-H543 PolarHBondContact O-ND1 2.91Å; M541-H543 VanDerWaalsContact O-ND1 3.17Å
542	L	24.7	Very low	25	Very low	158 Å²	158	147.3 Å²	147.3	83%	0.827	81%	0.806	S	S	*	*			trans	-66.7	106.5	171.8	-73.7	173.1	0	0	0	111.1	V540	V540-L542 PolarHBondContact O-N 3.28Å; V540-L542 VanDerWaalsContact O-N 3.07Å
543	H	23.4	Very low	25.3	Very low	164 Å²	164	148.8 Å²	148.8	76%	0.759	81%	0.805	S	S	*	*			trans	-74.1	143.9	163.8	-68.7	56.8	0	0	0	109	M541	M541-H543 PolarHBondContact O-N 3Å; M541-H543 VanDerWaalsContact O-N 3.11Å; M541-H543 PolarHBondContact O-ND1 2.91Å; M541-H543 VanDerWaalsContact O-ND1 3.17Å
544	S	29	Very low	25.3	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	81%	0.808	S	S	*	*			trans	-145.4	109.1	177	-163.5	0	0	0	0	109.8
545	D	28.1	Very low	25.6	Very low	150 Å²	150	143.5 Å²	143.5	80%	0.802	80%	0.797	S	S	*	*			trans	-75.5	132.5	-170.6	-67.1	-63.6	0	0	0	113.1	V547	D545-V547 PolarHBondContact O-N 3.31Å
546	R	23.3	Very low	25.9	Very low	242 Å²	242	141 Å²	141	91%	0.913	79%	0.794	S	S	*	*			trans	-80.5	95.8	170.7	-83.2	-177.9	167.3	175.4	-3.2	110.6
547	V	29.1	Very low	26.7	Very low	119 Å²	119	138.2 Å²	138.2	72%	0.721	78%	0.779	S	S	*	*			trans	-96.5	115.7	160.6	-179.8	0	0	0	0	109	D545	D545-V547 PolarHBondContact O-N 3.31Å
548	L	25.8	Very low	27.5	Very low	147 Å²	147	135.4 Å²	135.4	77%	0.77	77%	0.765	S	S	*	*			trans	-71.4	133	166.3	-86.2	70.9	0	0	0	108.9
549	N	31.1	Very low	28.6	Very low	152 Å²	152	133.9 Å²	133.9	81%	0.813	76%	0.755	S	S	*	*			trans	-145.4	121.9	153.4	-104.2	-40.6	0	0	0	109.9
550	T	24	Very low	29.7	Very low	133 Å²	133	132.6 Å²	132.6	82%	0.816	74%	0.743	S	S	*	*			trans	-91.8	118.3	-179.6	47.7	0	0	0	0	110.3
551	S	31	Very low	30.8	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	74%	0.735	S	S	*	*			trans	-127.7	111.9	168.8	49.7	0	0	0	0	110.6	S553	S551-S553 PolarHBondContact O-N 3.39Å
552	N	24.3	Very low	32.3	Very low	170 Å²	170	129.7 Å²	129.7	91%	0.909	72%	0.722	S	S	*	*			trans	-75.3	123	173.8	-66.1	-33.1	0	0	0	109.3
553	S	28.8	Very low	33.6	Very low	105 Å²	105	128 Å²	128	73%	0.734	71%	0.709	S	S	*	*			trans	-143.7	127.6	151.2	73.1	0	0	0	0	110.5	S551 T555	S551-S553 PolarHBondContact O-N 3.39Å; S553-T555 PolarHBondContact O-N 2.83Å
554	S	25.2	Very low	35.3	Very low	123 Å²	123	124.3 Å²	124.3	86%	0.86	70%	0.698	S	S	*	*			trans	-91.7	99.3	-177.1	52.2	0	0	0	0	110.3
555	T	29.9	Very low	37	Very low	106 Å²	106	123.9 Å²	123.9	65%	0.65	68%	0.683	S	S	*	*			trans	-117.8	133.1	168.5	53.4	0	0	0	0	110.7	S553 N557	S553-T555 PolarHBondContact O-N 2.83Å; T555-N557 PolarHBondContact O-N 3.07Å
556	V	31.8	Very low	38.9	Very low	133 Å²	133	123 Å²	123	81%	0.806	67%	0.672	S	S	*	*			trans	-84.1	79.4	-163.9	-175.2	0	0	0	0	111	L558	V556-L558 VanDerWaalsContact C-N 3.25Å; V556-L558 PolarHBondContact O-N 3.47Å
557	N	39.5	Very low	41.2	Very low	101 Å²	101	115 Å²	115	54%	0.54	65%	0.651	S	S	.	*			trans	-77.6	72.6	174.8	-84.5	-40.3	0	0	0	112.2	T555 S559 N560	T555-N557 PolarHBondContact O-N 3.07Å; N557-S559 PolarHBondContact O-N 3.09Å; N557-S559 VanDerWaalsContact O-N 3.14Å; N557-N560 PolarHBondContact O-N 3.49Å
558	L	39.1	Very low	43.4	Very low	105 Å²	105	112.1 Å²	112.1	55%	0.55	63%	0.633	S	S	.	*	H	α-helix	trans	-54.1	-28.9	176.4	-171.2	66.3	0	0	0	113	V556 N560 Q561 I562	V556-L558 VanDerWaalsContact C-N 3.25Å; V556-L558 PolarHBondContact O-N 3.47Å; L558-N560 PolarHBondContact O-N 3.34Å; L558-Q561 PolarHBondContact O-N 2.79Å; L558-I562 WeakPolarHBondContact O-CG1 3.42Å; L558-I562 PolarHBondContact O-N 3.13Å; L558-I562 VanDerWaalsContact O-N 3.14Å
559	S	46.3	Very low	46	Very low	72 Å²	72	112.7 Å²	112.7	50%	0.503	63%	0.627	S	S	.	*	H	α-helix	trans	-56.2	-44.2	173.2	48.9	0	0	0	0	113.2	N557 Q561 I562 H563	N557-S559 PolarHBondContact O-N 3.09Å; N557-S559 VanDerWaalsContact O-N 3.14Å; S559-Q561 VanDerWaalsContact C-N 3.34Å; S559-I562 PolarHBondContact O-N 3.27Å; S559-H563 PolarHBondContact O-N 3.11Å; S559-H563 VanDerWaalsContact O-N 3.09Å
560	N	44.5	Very low	48.4	Very low	105 Å²	105	110.2 Å²	110.2	56%	0.561	61%	0.612	S	S	*	*	H	α-helix	trans	-68.8	-35.1	179	-74.1	-6	0	0	0	111.3	N557 L558 H563 V564	N557-N560 PolarHBondContact O-N 3.49Å; L558-N560 PolarHBondContact O-N 3.34Å; N560-H563 PolarHBondContact O-N 3.31Å; N560-V564 WeakPolarHBondContact O-CG2 3.38Å; N560-V564 PolarHBondContact O-N 3.39Å
561	Q	47.2	Very low	51.2	Low	114 Å²	114	109 Å²	109	53%	0.533	60%	0.6	S	S	.	*	H	α-helix	trans	-64.2	-42.6	176.6	-157.9	175.6	10.4	0	0	111.2	L558 S559 H563 V564 H565	L558-Q561 PolarHBondContact O-N 2.79Å; S559-Q561 VanDerWaalsContact C-N 3.34Å; Q561-H563 VanDerWaalsContact C-N 3.31Å; Q561-H563 PolarHBondContact O-N 2.98Å; Q561-V564 PolarHBondContact O-N 3.2Å; Q561-H565 WeakPolarHBondContact O-CB 3.44Å; Q561-H565 PolarHBondContact O-CD2 2.83Å; Q561-H565 PolarHBondContact O-N 2.98Å
562	I	52.4	Low	53.8	Low	95 Å²	95	109 Å²	109	49%	0.487	59%	0.59	S	S	.	*	H	α-helix	trans	-60.4	-41.1	172.8	-64.4	165.6	0	0	0	111.1	L558 S559 H565 K566	L558-I562 WeakPolarHBondContact O-CG1 3.42Å; L558-I562 PolarHBondContact O-N 3.13Å; L558-I562 VanDerWaalsContact O-N 3.14Å; S559-I562 PolarHBondContact O-N 3.27Å; I562-H565 PolarHBondContact O-N 3.31Å; I562-K566 PolarHBondContact O-N 2.04Å
563	H	51.6	Low	56.9	Low	121 Å²	121	105.2 Å²	105.2	56%	0.56	57%	0.569	S	S	*	*	H	α-helix	trans	-72.9	-35.8	-178.1	-146.1	-55.2	0	0	0	113.3	S559 N560 Q561 K566 T567	S559-H563 PolarHBondContact O-N 3.11Å; S559-H563 VanDerWaalsContact O-N 3.09Å; N560-H563 PolarHBondContact O-N 3.31Å; Q561-H563 VanDerWaalsContact C-N 3.31Å; Q561-H563 PolarHBondContact O-N 2.98Å; H563-K566 PolarHBondContact O-N 2.94Å; H563-T567 PolarHBondContact O-N 3.29Å; H563-T567 PolarHBondContact O-OG1 3.35Å
564	V	58.5	Low	59.7	Low	87 Å²	87	104.7 Å²	104.7	53%	0.527	56%	0.558	S	S	.	*	H	α-helix	trans	-68	-39.2	171.8	171.2	0	0	0	0	111.1	N560 Q561 K566 T567 T568	N560-V564 WeakPolarHBondContact O-CG2 3.38Å; N560-V564 PolarHBondContact O-N 3.39Å; Q561-V564 PolarHBondContact O-N 3.2Å; V564-K566 VanDerWaalsContact C-N 3.32Å; V564-K566 PolarHBondContact O-N 3.04Å; V564-T567 PolarHBondContact O-N 3.18Å; V564-T567 PolarHBondContact O-OG1 3.14Å; V564-T568 HydrophobicContact CG1-CG2 4.41Å; V564-T568 WeakPolarHBondContact O-CB 3.1Å; V564-T568 WeakPolarHBondContact O-CG2 3.41Å; V564-T568 PolarHBondContact O-N 3.05Å; V564-T568 PolarHBondContact O-OG1 3.48Å
565	H	64.7	Low	62.7	Low	109 Å²	109	103.9 Å²	103.9	51%	0.505	54%	0.543	S	S	.	.	H	α-helix	trans	-62.4	-37.3	171.7	-83.5	-61.3	0	0	0	112.3	Q561 I562 T568 Y569	Q561-H565 WeakPolarHBondContact O-CB 3.44Å; Q561-H565 PolarHBondContact O-CD2 2.83Å; Q561-H565 PolarHBondContact O-N 2.98Å; I562-H565 PolarHBondContact O-N 3.31Å; H565-T568 WeakPolarHBondContact CA-OG1 3.25Å; H565-T568 PolarHBondContact O-OG1 2.63Å; H565-T568 VanDerWaalsContact O-OG1 3.13Å; H565-Y569 WeakPolarHBondContact O-CB 3.4Å; H565-Y569 PolarHBondContact O-N 3.41Å
566	K	69.8	Low	65.7	Low	130 Å²	130	100.7 Å²	100.7	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-66.4	-46.8	174.2	-76.7	-176.4	178.2	-176.7	0	113.1	I562 H563 V564 Y569 I570	I562-K566 PolarHBondContact O-N 2.04Å; H563-K566 PolarHBondContact O-N 2.94Å; V564-K566 VanDerWaalsContact C-N 3.32Å; V564-K566 PolarHBondContact O-N 3.04Å; K566-Y569 PolarHBondContact O-N 2.97Å; K566-I570 VanDerWaalsContact O-CG1 3.3Å; K566-I570 WeakPolarHBondContact O-CG1 3.24Å; K566-I570 PolarHBondContact O-N 3.29Å
567	T	70.6	Confident	68.6	Low	75 Å²	75	98.2 Å²	98.2	46%	0.46	51%	0.513	S	S	.	.	H	α-helix	trans	-67.7	-38.6	-179.5	52.5	0	0	0	0	112.1	H563 V564 I570 L571	H563-T567 PolarHBondContact O-N 3.29Å; H563-T567 PolarHBondContact O-OG1 3.35Å; V564-T567 PolarHBondContact O-N 3.18Å; V564-T567 PolarHBondContact O-OG1 3.14Å; T567-I570 PolarHBondContact O-N 3.48Å; T567-L571 WeakPolarHBondContact O-CB 3.33Å; T567-L571 PolarHBondContact O-N 2.96Å
568	T	75.2	Confident	71	Confident	59 Å²	59	97.1 Å²	97.1	36%	0.362	51%	0.51	S	S	.	.	H	α-helix	trans	-66	-38.9	172.8	50.6	0	0	0	0	112.5	V564 H565 L571 L572	V564-T568 HydrophobicContact CG1-CG2 4.41Å; V564-T568 WeakPolarHBondContact O-CB 3.1Å; V564-T568 WeakPolarHBondContact O-CG2 3.41Å; V564-T568 PolarHBondContact O-N 3.05Å; V564-T568 PolarHBondContact O-OG1 3.48Å; H565-T568 WeakPolarHBondContact CA-OG1 3.25Å; H565-T568 PolarHBondContact O-OG1 2.63Å; H565-T568 VanDerWaalsContact O-OG1 3.13Å; T568-L571 PolarHBondContact O-N 3.19Å; T568-L572 WeakPolarHBondContact O-CB 3.43Å; T568-L572 VanDerWaalsContact O-CG 3.31Å; T568-L572 WeakPolarHBondContact O-CG 3.28Å; T568-L572 PolarHBondContact O-N 2.03Å
569	Y	79.6	Confident	73.4	Confident	159 Å²	159	95.2 Å²	95.2	62%	0.624	51%	0.506	S	S	*	.	H	α-helix	trans	-60.9	-45.1	172.3	-116.1	-89.6	0	0	0	112.5	H565 K566 L571 L572 I573	H565-Y569 WeakPolarHBondContact O-CB 3.4Å; H565-Y569 PolarHBondContact O-N 3.41Å; K566-Y569 PolarHBondContact O-N 2.97Å; Y569-L571 VanDerWaalsContact C-N 3.33Å; Y569-L571 PolarHBondContact O-N 3Å; Y569-L572 PolarHBondContact O-N 3.38Å; Y569-I573 HydrophobicContact CD1-CD1 4.2Å; Y569-I573 WeakPolarHBondContact O-CB 3.45Å; Y569-I573 VanDerWaalsContact O-CG1 3.26Å; Y569-I573 WeakPolarHBondContact O-CG1 3.06Å; Y569-I573 PolarHBondContact O-N 3.38Å
570	I	82.1	Confident	75.6	Confident	100 Å²	100	95.2 Å²	95.2	51%	0.513	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-41.3	178.3	-68.4	163.4	0	0	0	110.7	K566 T567 I573 L574	K566-I570 VanDerWaalsContact O-CG1 3.3Å; K566-I570 WeakPolarHBondContact O-CG1 3.24Å; K566-I570 PolarHBondContact O-N 3.29Å; T567-I570 PolarHBondContact O-N 3.48Å; I570-I573 PolarHBondContact O-N 3.45Å; I570-L574 HydrophobicContact CG2-CD1 4.14Å; I570-L574 WeakPolarHBondContact O-CG 3.21Å; I570-L574 PolarHBondContact O-N 3.14Å
571	L	82.7	Confident	77.8	Confident	106 Å²	106	96.8 Å²	96.8	56%	0.555	51%	0.507	S	S	*	.	H	α-helix	trans	-65.2	-40.8	176.4	-172.5	64.2	0	0	0	112.3	T567 T568 Y569 L574 L575	T567-L571 WeakPolarHBondContact O-CB 3.33Å; T567-L571 PolarHBondContact O-N 2.96Å; T568-L571 PolarHBondContact O-N 3.19Å; Y569-L571 VanDerWaalsContact C-N 3.33Å; Y569-L571 PolarHBondContact O-N 3Å; L571-L574 PolarHBondContact O-N 3.09Å; L571-L575 WeakPolarHBondContact O-CB 3.24Å; L571-L575 PolarHBondContact O-N 2.87Å
572	L	86.9	Confident	79.9	Confident	113 Å²	113	95.9 Å²	95.9	59%	0.592	51%	0.505	S	S	*	.	H	α-helix	trans	-66	-38.2	174.7	-73.6	169.3	0	0	0	112.3	T568 Y569 L575 G576	T568-L572 WeakPolarHBondContact O-CB 3.43Å; T568-L572 VanDerWaalsContact O-CG 3.31Å; T568-L572 WeakPolarHBondContact O-CG 3.28Å; T568-L572 PolarHBondContact O-N 2.03Å; Y569-L572 PolarHBondContact O-N 3.38Å; L572-L575 PolarHBondContact O-N 3Å; L572-G576 PolarHBondContact O-N 2.72Å
573	I	88.3	Confident	81.7	Confident	91 Å²	91	94.5 Å²	94.5	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-63.5	-44.6	173.6	-71.7	164.1	0	0	0	110.4	Y569 I570 G576 I577	Y569-I573 HydrophobicContact CD1-CD1 4.2Å; Y569-I573 WeakPolarHBondContact O-CB 3.45Å; Y569-I573 VanDerWaalsContact O-CG1 3.26Å; Y569-I573 WeakPolarHBondContact O-CG1 3.06Å; Y569-I573 PolarHBondContact O-N 3.38Å; I570-I573 PolarHBondContact O-N 3.45Å; I573-G576 PolarHBondContact O-N 3.21Å; I573-I577 HydrophobicContact CG2-CD1 3.79Å; I573-I577 HydrophobicContact CG2-CG1 4.48Å; I573-I577 VanDerWaalsContact O-CG1 3.29Å; I573-I577 WeakPolarHBondContact O-CG1 3.46Å; I573-I577 PolarHBondContact O-N 3.28Å
574	L	88.1	Confident	83.5	Confident	95 Å²	95	93 Å²	93	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-43.6	175.9	-74.9	165.5	0	0	0	112.2	I570 L571 G576 I577 V578	I570-L574 HydrophobicContact CG2-CD1 4.14Å; I570-L574 WeakPolarHBondContact O-CG 3.21Å; I570-L574 PolarHBondContact O-N 3.14Å; L571-L574 PolarHBondContact O-N 3.09Å; L574-G576 VanDerWaalsContact C-N 3.35Å; L574-G576 PolarHBondContact O-N 2.89Å; L574-I577 PolarHBondContact O-N 3.17Å; L574-V578 WeakPolarHBondContact O-CG2 3.03Å; L574-V578 PolarHBondContact O-N 2.97Å
575	L	89.1	Confident	84.9	Confident	105 Å²	105	95.7 Å²	95.7	55%	0.55	50%	0.503	S	S	.	.	H	α-helix	trans	-61.2	-40.7	172.7	-95.5	156.8	0	0	0	112.4	L571 L572 V578 S579	L571-L575 WeakPolarHBondContact O-CB 3.24Å; L571-L575 PolarHBondContact O-N 2.87Å; L572-L575 PolarHBondContact O-N 3Å; L575-V578 PolarHBondContact O-N 2.8Å; L575-S579 VanDerWaalsContact O-CB 3.27Å; L575-S579 WeakPolarHBondContact O-CB 3.34Å; L575-S579 PolarHBondContact O-N 3.24Å
576	G	91.9	Very high	86	Confident	40 Å²	40	94.7 Å²	94.7	41%	0.412	50%	0.5	S	S	.	.	H	α-helix	trans	-63.2	-41.5	174.2	0	0	0	0	0	112.8	L572 I573 L574 S579 C580	L572-G576 PolarHBondContact O-N 2.72Å; I573-G576 PolarHBondContact O-N 3.21Å; L574-G576 VanDerWaalsContact C-N 3.35Å; L574-G576 PolarHBondContact O-N 2.89Å; G576-S579 PolarHBondContact O-N 2.86Å; G576-C580 VanDerWaalsContact O-CB 3.29Å; G576-C580 WeakPolarHBondContact O-CB 3.47Å; G576-C580 PolarHBondContact O-N 3.1Å
577	I	91.9	Very high	86.8	Confident	80 Å²	80	93.4 Å²	93.4	41%	0.41	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-46.5	175.3	-71.3	165	0	0	0	110.8	I573 L574 C580 F581	I573-I577 HydrophobicContact CG2-CD1 3.79Å; I573-I577 HydrophobicContact CG2-CG1 4.48Å; I573-I577 VanDerWaalsContact O-CG1 3.29Å; I573-I577 WeakPolarHBondContact O-CG1 3.46Å; I573-I577 PolarHBondContact O-N 3.28Å; L574-I577 PolarHBondContact O-N 3.17Å; I577-C580 WeakPolarHBondContact O-CB 3.41Å; I577-C580 PolarHBondContact O-N 3.49Å; I577-F581 HydrophobicContact CG2-CD2 3.68Å; I577-F581 HydrophobicContact CG2-CE2 3.6Å; I577-F581 VanDerWaalsContact O-CD2 3.28Å; I577-F581 WeakPolarHBondContact O-CD2 3.45Å; I577-F581 PolarHBondContact O-N 3.39Å
578	V	90.7	Very high	87.2	Confident	79 Å²	79	94.7 Å²	94.7	48%	0.479	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-42.9	176.5	170.5	0	0	0	0	111.2	L574 L575 C580 F581 I582	L574-V578 WeakPolarHBondContact O-CG2 3.03Å; L574-V578 PolarHBondContact O-N 2.97Å; L575-V578 PolarHBondContact O-N 2.8Å; V578-C580 VanDerWaalsContact C-N 3.35Å; V578-C580 PolarHBondContact O-N 3.25Å; V578-F581 PolarHBondContact O-N 3.46Å; V578-I582 HydrophobicContact CG1-CD1 3.87Å; V578-I582 VanDerWaalsContact O-CG1 3.32Å; V578-I582 WeakPolarHBondContact O-CG1 3.47Å; V578-I582 PolarHBondContact O-N 2.98Å
579	S	88.9	Confident	87.4	Confident	65 Å²	65	97.9 Å²	97.9	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-43.3	173.4	-175.6	0	0	0	0	111.8	L575 G576 F581 I582 C583	L575-S579 VanDerWaalsContact O-CB 3.27Å; L575-S579 WeakPolarHBondContact O-CB 3.34Å; L575-S579 PolarHBondContact O-N 3.24Å; G576-S579 PolarHBondContact O-N 2.86Å; S579-F581 PolarHBondContact O-N 3.37Å; S579-I582 PolarHBondContact O-N 2.9Å; S579-C583 WeakPolarHBondContact O-CB 3.4Å; S579-C583 PolarHBondContact O-N 3.03Å; S579-C583 PolarHBondContact O-SG 3.18Å; S579-C583 VanDerWaalsContact O-SG 3.42Å
580	C	92.4	Very high	87.1	Confident	72 Å²	72	98.3 Å²	98.3	49%	0.486	51%	0.508	S	S	.	.	H	α-helix	trans	-63.2	-41.4	175.7	-165.6	0	0	0	0	112	G576 I577 V578 C583 L584	G576-C580 VanDerWaalsContact O-CB 3.29Å; G576-C580 WeakPolarHBondContact O-CB 3.47Å; G576-C580 PolarHBondContact O-N 3.1Å; I577-C580 WeakPolarHBondContact O-CB 3.41Å; I577-C580 PolarHBondContact O-N 3.49Å; V578-C580 VanDerWaalsContact C-N 3.35Å; V578-C580 PolarHBondContact O-N 3.25Å; C580-C583 PolarHBondContact O-N 2.91Å; C580-L584 WeakPolarHBondContact O-CB 3.44Å; C580-L584 WeakPolarHBondContact O-CG 3.34Å; C580-L584 PolarHBondContact O-N 2.82Å
581	F	91.8	Very high	86.6	Confident	138 Å²	138	100.7 Å²	100.7	61%	0.605	51%	0.512	S	S	*	.	H	α-helix	trans	-64.8	-37.8	172.6	-84.4	-64.3	0	0	0	112.9	I577 V578 S579 L584 F585	I577-F581 HydrophobicContact CG2-CD2 3.68Å; I577-F581 HydrophobicContact CG2-CE2 3.6Å; I577-F581 VanDerWaalsContact O-CD2 3.28Å; I577-F581 WeakPolarHBondContact O-CD2 3.45Å; I577-F581 PolarHBondContact O-N 3.39Å; V578-F581 PolarHBondContact O-N 3.46Å; S579-F581 PolarHBondContact O-N 3.37Å; F581-L584 PolarHBondContact O-N 3.37Å; F581-F585 WeakPolarHBondContact O-CB 3.49Å; F581-F585 PolarHBondContact O-N 2.79Å
582	I	89.7	Confident	85.6	Confident	95 Å²	95	97.6 Å²	97.6	49%	0.487	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-44	174.6	-70.6	165.1	0	0	0	110.4	V578 S579 F585 I586	V578-I582 HydrophobicContact CG1-CD1 3.87Å; V578-I582 VanDerWaalsContact O-CG1 3.32Å; V578-I582 WeakPolarHBondContact O-CG1 3.47Å; V578-I582 PolarHBondContact O-N 2.98Å; S579-I582 PolarHBondContact O-N 2.9Å; I582-F585 PolarHBondContact O-N 3.27Å; I582-I586 HydrophobicContact CG2-CD1 3.87Å; I582-I586 WeakPolarHBondContact O-CB 3.45Å; I582-I586 VanDerWaalsContact O-CG1 3.28Å; I582-I586 WeakPolarHBondContact O-CG1 3.49Å; I582-I586 PolarHBondContact O-N 2.89Å
583	C	91.6	Very high	83.8	Confident	65 Å²	65	92.9 Å²	92.9	44%	0.439	47%	0.469	S	S	.	.	H	α-helix	trans	-62.3	-44.9	174.1	-73.8	0	0	0	0	112.1	S579 C580 I586 I587	S579-C583 WeakPolarHBondContact O-CB 3.4Å; S579-C583 PolarHBondContact O-N 3.03Å; S579-C583 PolarHBondContact O-SG 3.18Å; S579-C583 VanDerWaalsContact O-SG 3.42Å; C580-C583 PolarHBondContact O-N 2.91Å; C583-I586 PolarHBondContact O-N 3.47Å; C583-I587 WeakPolarHBondContact O-CB 3.35Å; C583-I587 WeakPolarHBondContact O-CD1 3.38Å; C583-I587 VanDerWaalsContact O-CG1 3.26Å; C583-I587 WeakPolarHBondContact O-CG1 3.34Å; C583-I587 PolarHBondContact O-N 3.07Å
584	L	89.7	Confident	82.1	Confident	89 Å²	89	92.5 Å²	92.5	47%	0.466	47%	0.474	S	S	.	.	H	α-helix	trans	-62.9	-41.8	174.4	-81.4	166	0	0	0	112	C580 F581 I587 L588	C580-L584 WeakPolarHBondContact O-CB 3.44Å; C580-L584 WeakPolarHBondContact O-CG 3.34Å; C580-L584 PolarHBondContact O-N 2.82Å; F581-L584 PolarHBondContact O-N 3.37Å; L584-I587 PolarHBondContact O-N 2.82Å; L584-L588 WeakPolarHBondContact O-CB 3.45Å; L584-L588 PolarHBondContact O-N 3.27Å
585	F	86.8	Confident	80.4	Confident	144 Å²	144	89.3 Å²	89.3	63%	0.632	46%	0.458	S	S	*	.	H	α-helix	trans	-65.5	-40.8	176.5	-174.1	-93.6	0	0	0	111.3	F581 I582 R589	F581-F585 WeakPolarHBondContact O-CB 3.49Å; F581-F585 PolarHBondContact O-N 2.79Å; I582-F585 PolarHBondContact O-N 3.27Å; F585-R589 WeakPolarHBondContact O-CB 3.44Å; F585-R589 PolarHBondContact O-N 3.16Å
586	I	87.9	Confident	77.9	Confident	88 Å²	88	91.6 Å²	91.6	45%	0.451	46%	0.459	S	S	.	.	H	α-helix	trans	-61	-48.3	170.8	-71.5	162.6	0	0	0	109.9	I582 C583 R589 R590	I582-I586 HydrophobicContact CG2-CD1 3.87Å; I582-I586 WeakPolarHBondContact O-CB 3.45Å; I582-I586 VanDerWaalsContact O-CG1 3.28Å; I582-I586 WeakPolarHBondContact O-CG1 3.49Å; I582-I586 PolarHBondContact O-N 2.89Å; C583-I586 PolarHBondContact O-N 3.47Å; I586-R589 CarbonylContact O-C 3.55Å; I586-R589 WeakPolarHBondContact O-CA 3.19Å; I586-R589 WeakPolarHBondContact O-CB 3.44Å; I586-R589 PolarHBondContact O-N 2.64Å; I586-R589 VanDerWaalsContact O-N 3.07Å; I586-R590 HydrophobicContact CG2-CG 4.18Å; I586-R590 WeakPolarHBondContact O-CG 3.4Å; I586-R590 PolarHBondContact O-N 2.91Å
587	I	86.6	Confident	75.4	Confident	104 Å²	104	94.7 Å²	94.7	53%	0.533	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-41.4	-178.9	-71.5	160	0	0	0	112.3	C583 L584 R589 R590 Y591	C583-I587 WeakPolarHBondContact O-CB 3.35Å; C583-I587 WeakPolarHBondContact O-CD1 3.38Å; C583-I587 VanDerWaalsContact O-CG1 3.26Å; C583-I587 WeakPolarHBondContact O-CG1 3.34Å; C583-I587 PolarHBondContact O-N 3.07Å; L584-I587 PolarHBondContact O-N 2.82Å; I587-R589 VanDerWaalsContact C-N 3.27Å; I587-R589 PolarHBondContact O-N 2.81Å; I587-R590 WeakPolarHBondContact O-CA 3.42Å; I587-R590 PolarHBondContact O-N 3.33Å; I587-Y591 PolarHBondContact O-N 3.45Å
588	L	79.6	Confident	72.8	Confident	101 Å²	101	97 Å²	97	53%	0.529	47%	0.472	S	S	.	.	H	α-helix	trans	-58.8	-44.2	170.2	-118.5	69.7	0	0	0	110	L584 R590 Y591 F592	L584-L588 WeakPolarHBondContact O-CB 3.45Å; L584-L588 PolarHBondContact O-N 3.27Å; L588-R590 PolarHBondContact O-N 2.89Å; L588-Y591 PolarHBondContact O-N 2.97Å; L588-F592 WeakPolarHBondContact O-CB 3.46Å; L588-F592 WeakPolarHBondContact O-CD1 3.47Å; L588-F592 WeakPolarHBondContact O-CG 3.06Å
589	R	79.1	Confident	70	Confident	126 Å²	126	104.2 Å²	104.2	48%	0.475	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	19.7	170.3	-156.9	-166.5	168.8	-170	-5	113.1	I491 D492 F585 I586 I587	I491-R589 HydrophobicContact CB-CG 4.15Å; I491-R589 HydrophobicContact CD1-CG 4.49Å; I491-R589 WeakPolarHBondContact CG2-O 3.14Å; D492-R589 HydrophobicContact CB-CB 4.39Å; D492-R589 HydrophobicContact CB-CG 3.87Å; D492-R589 WeakPolarHBondContact CB-O 3.4Å; D492-R589 WeakPolarHBondContact OD1-CA 3.32Å; D492-R589 VanDerWaalsContact OD1-O 3.1Å; F585-R589 WeakPolarHBondContact O-CB 3.44Å; F585-R589 PolarHBondContact O-N 3.16Å; I586-R589 CarbonylContact O-C 3.55Å; I586-R589 WeakPolarHBondContact O-CA 3.19Å; I586-R589 WeakPolarHBondContact O-CB 3.44Å; I586-R589 PolarHBondContact O-N 2.64Å; I586-R589 VanDerWaalsContact O-N 3.07Å; I587-R589 VanDerWaalsContact C-N 3.27Å; I587-R589 PolarHBondContact O-N 2.81Å
590	R	72.9	Confident	67.2	Low	169 Å²	169	108.9 Å²	108.9	64%	0.638	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.8	-14	161.3	-59.8	-153	79.8	157.2	5.3	114.6	D492 I586 I587 L588 F592	D492-R590 WeakPolarHBondContact OD1-CA 3.41Å; D492-R590 PolarHBondContact OD1-N 3.01Å; I586-R590 HydrophobicContact CG2-CG 4.18Å; I586-R590 WeakPolarHBondContact O-CG 3.4Å; I586-R590 PolarHBondContact O-N 2.91Å; I587-R590 WeakPolarHBondContact O-CA 3.42Å; I587-R590 PolarHBondContact O-N 3.33Å; L588-R590 PolarHBondContact O-N 2.89Å; R590-F592 PolarHBondContact O-N 3.22Å
591	Y	73	Confident	64.1	Low	149 Å²	149	109 Å²	109	58%	0.584	52%	0.516	S	S	*	.	S	Bend	trans	-74.2	-3.3	-177.7	174.9	-130.8	0	0	0	113.2	D492 I587 L588 I595	D492-Y591 PolarHBondContact OD1-N 3.04Å; I587-Y591 PolarHBondContact O-N 3.45Å; L588-Y591 PolarHBondContact O-N 2.97Å; Y591-I595 HydrophobicContact CE1-CD1 4.46Å; Y591-I595 HydrophobicContact CE2-CD1 4.26Å; Y591-I595 VanDerWaalsContact O-CD1 3.24Å; Y591-I595 WeakPolarHBondContact O-CD1 3.33Å
592	F	61.2	Low	61.1	Low	41 Å²	41	111.9 Å²	111.9	18%	0.18	53%	0.525	C	S	.	.	S	Bend	trans	-140.7	-20.5	-132.9	-109.3	-168.2	0	0	0	113.1	D492 V493 K494 L588 R590 I595	D492-F592 HydrophobicContact CB-CB 3.58Å; D492-F592 VanDerWaalsContact CG-CB 3.41Å; D492-F592 WeakPolarHBondContact OD1-CA 3.48Å; D492-F592 WeakPolarHBondContact OD1-CB 3.27Å; D492-F592 PolarHBondContact OD1-N 3.44Å; V493-F592 CarbonylContact C-O 3.57Å; V493-F592 VanDerWaalsContact CA-CG 3.47Å; V493-F592 WeakPolarHBondContact CA-O 3.5Å; V493-F592 HydrophobicContact CB-CD1 4.37Å; V493-F592 VanDerWaalsContact N-CB 3.35Å; V493-F592 PolarHBondContact N-O 3.04Å; K494-F592 VanDerWaalsContact N-CD2 3.31Å; K494-F592 WeakPolarHBondContact O-CD2 3.38Å; K494-F592 WeakPolarHBondContact O-CE2 3.4Å; K494-F592 WeakPolarHBondContact O-CZ 3.43Å; L588-F592 WeakPolarHBondContact O-CB 3.46Å; L588-F592 WeakPolarHBondContact O-CD1 3.47Å; L588-F592 WeakPolarHBondContact O-CG 3.06Å; R590-F592 PolarHBondContact O-N 3.22Å; F592-I595 WeakPolarHBondContact O-CB 3.46Å; F592-I595 WeakPolarHBondContact O-CG2 3.42Å
593	N	48.2	Very low	58.2	Low	15 Å²	15	113.2 Å²	113.2	8%	0.08	54%	0.537	C	S	.	.	S	Bend	trans	-96.4	-29.7	171.3	-110.5	11.6	0	0	0	113.7	I491 D492 I595 R596 Y597	I491-N593 VanDerWaalsContact C-CG 3.44Å; I491-N593 WeakPolarHBondContact CA-ND2 3.43Å; I491-N593 PolarHBondContact N-ND2 3.1Å; I491-N593 VanDerWaalsContact N-ND2 3.15Å; D492-N593 WeakPolarHBondContact CA-OD1 3.33Å; D492-N593 HydrophobicContact CB-CB 4.42Å; D492-N593 VanDerWaalsContact N-CG 3.32Å; D492-N593 PolarHBondContact N-OD1 3.4Å; D492-N593 PolarHBondContact OD1-N 2.86Å; D492-N593 WeakPolarHBondContact OD2-CA 3.46Å; D492-N593 WeakPolarHBondContact OD2-CB 3.49Å; D492-N593 PolarHBondContact OD2-N 2.93Å; N593-I595 PolarHBondContact O-N 3.08Å; N593-I595 VanDerWaalsContact O-N 3.16Å; N593-R596 CarbonylContact O-C 3.58Å; N593-R596 WeakPolarHBondContact O-CA 3.39Å; N593-R596 PolarHBondContact O-N 3.41Å; N593-R596 WeakPolarHBondContact OD1-CB 3.45Å; N593-R596 WeakPolarHBondContact OD1-CD 3.36Å; N593-Y597 HydrophobicContact CB-CD2 4.14Å; N593-Y597 HydrophobicContact CB-CE2 4.1Å; N593-Y597 WeakPolarHBondContact O-CB 3.42Å; N593-Y597 WeakPolarHBondContact O-CD2 3.44Å; N593-Y597 PolarHBondContact O-N 3.08Å
594	S	52.6	Low	55	Low	82 Å²	82	117.8 Å²	117.8	57%	0.573	56%	0.557	S	S	*	*	H	α-helix	trans	-50	-41.1	165	170.3	0	0	0	0	109.4	R596 Y597 N598	S594-R596 VanDerWaalsContact C-N 3.33Å; S594-R596 PolarHBondContact O-N 3.2Å; S594-Y597 PolarHBondContact O-N 2.76Å; S594-N598 WeakPolarHBondContact O-CB 3.4Å; S594-N598 PolarHBondContact O-N 2.57Å; S594-N598 PolarHBondContact O-ND2 3.23Å
595	I	51.8	Low	52.1	Low	29 Å²	29	118.6 Å²	118.6	15%	0.149	57%	0.565	C	S	.	*	H	α-helix	trans	-57.6	-33.3	171	-103.5	175.6	0	0	0	115.4	V493 K494 Y591 F592 N593	V493-I595 VanDerWaalsContact O-CG2 3.22Å; V493-I595 WeakPolarHBondContact O-CG2 3.37Å; K494-I595 HydrophobicContact CB-CB 4.37Å; K494-I595 HydrophobicContact CB-CD1 3.8Å; K494-I595 HydrophobicContact CB-CG1 4.37Å; K494-I595 HydrophobicContact CB-CG2 3.26Å; K494-I595 HydrophobicContact CD-CB 4.34Å; K494-I595 HydrophobicContact CD-CD1 4.05Å; K494-I595 HydrophobicContact CD-CG1 4Å; K494-I595 HydrophobicContact CD-CG2 3.63Å; K494-I595 HydrophobicContact CG-CD1 4.47Å; K494-I595 HydrophobicContact CG-CG2 3.38Å; Y591-I595 HydrophobicContact CE1-CD1 4.46Å; Y591-I595 HydrophobicContact CE2-CD1 4.26Å; Y591-I595 VanDerWaalsContact O-CD1 3.24Å; Y591-I595 WeakPolarHBondContact O-CD1 3.33Å; F592-I595 WeakPolarHBondContact O-CB 3.46Å; F592-I595 WeakPolarHBondContact O-CG2 3.42Å; N593-I595 PolarHBondContact O-N 3.08Å; N593-I595 VanDerWaalsContact O-N 3.16Å
596	R	37.2	Very low	49.3	Very low	152 Å²	152	118.2 Å²	118.2	57%	0.574	58%	0.575	S	S	*	*	H	α-helix	trans	-91.3	-28.2	-177.4	-161.3	-179.8	-171.7	178	1	111.1	N593 S594	N593-R596 CarbonylContact O-C 3.58Å; N593-R596 WeakPolarHBondContact O-CA 3.39Å; N593-R596 PolarHBondContact O-N 3.41Å; N593-R596 WeakPolarHBondContact OD1-CB 3.45Å; N593-R596 WeakPolarHBondContact OD1-CD 3.36Å; S594-R596 VanDerWaalsContact C-N 3.33Å; S594-R596 PolarHBondContact O-N 3.2Å
597	Y	40	Very low	46.4	Very low	105 Å²	105	119.5 Å²	119.5	41%	0.412	59%	0.586	S	S	.	*	H	α-helix	trans	-68.5	-40	169.2	-80.2	-62.2	0	0	0	111.9	D490 N593 S594 R599 K600	D490-Y597 HydrophobicContact CB-CE2 3.77Å; D490-Y597 WeakPolarHBondContact OD1-CE2 3.42Å; D490-Y597 VanDerWaalsContact OD1-CZ 3.27Å; D490-Y597 PolarHBondContact OD1-OH 2.89Å; D490-Y597 WeakPolarHBondContact OD2-CE2 3.42Å; N593-Y597 HydrophobicContact CB-CD2 4.14Å; N593-Y597 HydrophobicContact CB-CE2 4.1Å; N593-Y597 WeakPolarHBondContact O-CB 3.42Å; N593-Y597 WeakPolarHBondContact O-CD2 3.44Å; N593-Y597 PolarHBondContact O-N 3.08Å; S594-Y597 PolarHBondContact O-N 2.76Å; Y597-R599 PolarHBondContact O-N 3.2Å; Y597-K600 PolarHBondContact O-N 2.85Å
598	N	37.6	Very low	43.5	Very low	128 Å²	128	122.8 Å²	122.8	68%	0.684	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	24.4	173.1	-77.9	-58.4	0	0	0	115	S594	S594-N598 WeakPolarHBondContact O-CB 3.4Å; S594-N598 PolarHBondContact O-N 2.57Å; S594-N598 PolarHBondContact O-ND2 3.23Å
599	R	30.6	Very low	41.1	Very low	231 Å²	231	124.5 Å²	124.5	87%	0.872	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.8	2.5	166.2	-133.6	178.3	-171.5	179.7	2	114.5	Y597 G601	Y597-R599 PolarHBondContact O-N 3.2Å; R599-G601 PolarHBondContact O-N 3.17Å
600	K	30.2	Very low	38.7	Very low	163 Å²	163	125.4 Å²	125.4	71%	0.709	63%	0.628	S	S	*	*			trans	-92.5	69.8	168.2	-72.9	-171.4	176	-176.9	0	110.4	Y597 Y602	Y597-K600 PolarHBondContact O-N 2.85Å; K600-Y602 PolarHBondContact O-N 3.35Å
601	G	28.5	Very low	36.6	Very low	75 Å²	75	125.7 Å²	125.7	77%	0.773	64%	0.637	S	S	*	*			trans	-72.5	71.3	177.7	0	0	0	0	0	113	R599	R599-G601 PolarHBondContact O-N 3.17Å
602	Y	28.9	Very low	34.4	Very low	199 Å²	199	125.2 Å²	125.2	78%	0.78	65%	0.649	S	S	*	*			trans	-124.9	71.7	173.2	-72.9	-68.7	0	0	0	110.7	K600 L604	K600-Y602 PolarHBondContact O-N 3.35Å; Y602-L604 PolarHBondContact O-N 3.48Å
603	T	28.2	Very low	32.8	Very low	122 Å²	122	130.6 Å²	130.6	75%	0.748	68%	0.678	S	S	*	*			trans	-70.7	109.1	156.2	45.5	0	0	0	0	107.8	T605	T603-T605 VanDerWaalsContact C-N 3.29Å; T603-T605 PolarHBondContact O-N 2.91Å
604	L	24.5	Very low	31.7	Very low	162 Å²	162	134.4 Å²	134.4	85%	0.848	71%	0.712	S	S	*	*			trans	-68.5	89.4	171.2	-86.6	83.2	0	0	0	109.5	Y602	Y602-L604 PolarHBondContact O-N 3.48Å
605	T	28.1	Very low	30.4	Very low	105 Å²	105	134.5 Å²	134.5	64%	0.644	72%	0.717	S	S	*	*			trans	-98	106.9	158	49.9	0	0	0	0	107.4	T603 V607	T603-T605 VanDerWaalsContact C-N 3.29Å; T603-T605 PolarHBondContact O-N 2.91Å; T605-V607 VanDerWaalsContact C-N 3.29Å; T605-V607 PolarHBondContact O-N 3.23Å
606	V	27.5	Very low	29.1	Very low	137 Å²	137	142.2 Å²	142.2	83%	0.83	75%	0.75	S	S	*	*			trans	-70.5	93	169.4	-179.1	0	0	0	0	107
607	V	27.7	Very low	28.6	Very low	115 Å²	115	140.9 Å²	140.9	70%	0.697	76%	0.758	S	S	*	*			trans	-93.5	123.9	168.3	-177.7	0	0	0	0	106	T605	T605-V607 VanDerWaalsContact C-N 3.29Å; T605-V607 PolarHBondContact O-N 3.23Å
608	E	27.2	Very low	28.2	Very low	173 Å²	173	142.3 Å²	142.3	81%	0.808	77%	0.773	S	S	*	*			trans	-63.8	147.6	178.3	-71.3	176.2	110.6	0	0	110.6	D610	E608-D610 PolarHBondContact O-N 3.09Å
609	V	28.2	Very low	27.5	Very low	137 Å²	137	141.2 Å²	141.2	83%	0.83	78%	0.775	S	S	*	*			trans	-84.6	82.1	-173.5	-175.2	0	0	0	0	109.1	E611	V609-E611 PolarHBondContact O-N 2.87Å
610	D	28.5	Very low	27.3	Very low	144 Å²	144	134.8 Å²	134.8	77%	0.77	76%	0.764	S	S	*	*			trans	-60.7	129.8	159.2	-84.2	-28.7	0	0	0	108.7	E608 V612	E608-D610 PolarHBondContact O-N 3.09Å; D610-V612 PolarHBondContact O-N 3.46Å
611	E	28.4	Very low	27.1	Very low	176 Å²	176	135.8 Å²	135.8	82%	0.822	77%	0.771	S	S	*	*			trans	-67.6	97.9	-176.3	-64.2	-175.3	160.6	0	0	110.6	V609 I613	V609-E611 PolarHBondContact O-N 2.87Å; E611-I613 PolarHBondContact O-N 2.87Å
612	V	27.9	Very low	26.9	Very low	139 Å²	139	141.8 Å²	141.8	84%	0.842	78%	0.776	S	S	*	*			trans	-70.7	85.1	174.7	-172.9	0	0	0	0	109.1	D610 A614	D610-V612 PolarHBondContact O-N 3.46Å; V612-A614 PolarHBondContact O-N 3.04Å
613	I	27.7	Very low	26.7	Very low	154 Å²	154	139.4 Å²	139.4	79%	0.79	78%	0.776	S	S	*	*			trans	-43.4	115.9	174.7	-62.9	170.8	0	0	0	108.3	E611 A615	E611-I613 PolarHBondContact O-N 2.87Å; I613-A615 PolarHBondContact O-N 3.08Å
614	A	25.3	Very low	26.7	Very low	95 Å²	95	139.1 Å²	139.1	79%	0.785	78%	0.776	S	S	*	*			trans	-58.4	104.5	-172.2	0	0	0	0	0	110.2	V612 K616	V612-A614 PolarHBondContact O-N 3.04Å; A614-K616 PolarHBondContact O-N 3.46Å
615	A	25.5	Very low	26.7	Very low	84 Å²	84	138 Å²	138	69%	0.694	78%	0.776	S	S	*	*			trans	-55	131	-176.9	0	0	0	0	0	109.4	I613 V617	I613-A615 PolarHBondContact O-N 3.08Å; A615-V617 PolarHBondContact O-N 3.16Å
616	K	24.2	Very low	26.6	Very low	190 Å²	190	142.3 Å²	142.3	83%	0.826	79%	0.786	S	S	*	*			trans	-71.7	74.5	-174.8	-169.8	172.2	-179	174.7	0	110.4	A614 N618	A614-K616 PolarHBondContact O-N 3.46Å; K616-N618 PolarHBondContact O-N 2.92Å
617	V	26.8	Very low	26.4	Very low	125 Å²	125	144.9 Å²	144.9	76%	0.758	79%	0.788	S	S	*	*			trans	-64.2	99	175.8	179.4	0	0	0	0	107.4	A615 S619	A615-V617 PolarHBondContact O-N 3.16Å; V617-S619 PolarHBondContact O-N 2.97Å
618	N	30.3	Very low	26.4	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-54.2	123	173.4	-67	-42.8	0	0	0	108.2	K616 P620	K616-N618 PolarHBondContact O-N 2.92Å; N618-P620 VanDerWaalsContact O-N 3.16Å
619	S	23.5	Very low	26.3	Very low	105 Å²	105	147.9 Å²	147.9	73%	0.734	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-49.8	121.2	-177.3	52.2	0	0	0	0	110.1	V617 Q621	V617-S619 PolarHBondContact O-N 2.97Å; S619-Q621 PolarHBondContact O-N 2.93Å
620	P	25.5	Very low	26.2	Very low	97 Å²	97	149 Å²	149	63%	0.63	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-59.2	129.1	-178.3	23.7	-33.1	0	0	0	109.1	N618 F622	N618-P620 VanDerWaalsContact O-N 3.16Å; P620-F622 PolarHBondContact O-N 3.24Å
621	Q	26.5	Very low	26.2	Very low	184 Å²	184	153.1 Å²	153.1	86%	0.86	80%	0.803	S	S	*	*			trans	-63.4	107	178.5	-70.2	176.5	-16	0	0	108.6	S619 L623	S619-Q621 PolarHBondContact O-N 2.93Å; Q621-L623 PolarHBondContact O-N 3.04Å
622	F	25	Very low	26.1	Very low	200 Å²	200	152 Å²	152	88%	0.877	80%	0.802	S	S	*	*			trans	-61.2	103	171.1	-77.2	-86.7	0	0	0	108.5	P620	P620-F622 PolarHBondContact O-N 3.24Å
623	L	25.1	Very low	26.1	Very low	150 Å²	150	152.3 Å²	152.3	79%	0.785	80%	0.798	S	S	*	*			trans	-56.2	131.3	173.3	-72.8	171	0	0	0	108.5	Q621 V625	Q621-L623 PolarHBondContact O-N 3.04Å; L623-V625 PolarHBondContact O-N 3.34Å; L623-V625 VanDerWaalsContact O-N 3.09Å
624	P	26.8	Very low	26	Very low	115 Å²	115	150.4 Å²	150.4	75%	0.747	80%	0.796	S	S	*	*			trans	-64.6	116.9	-166.1	23.4	-33.7	0	0	0	111.1	K626	P624-K626 PolarHBondContact O-N 3.28Å
625	V	26	Very low	26	Very low	139 Å²	139	155.6 Å²	155.6	84%	0.842	80%	0.8	S	S	*	*			trans	-58	114.3	171.1	178.4	0	0	0	0	107.8	L623 Q627	L623-V625 PolarHBondContact O-N 3.34Å; L623-V625 VanDerWaalsContact O-N 3.09Å; V625-Q627 PolarHBondContact O-N 2.7Å; V625-Q627 VanDerWaalsContact O-N 3.17Å
626	K	24.2	Very low	26	Very low	196 Å²	196	156.1 Å²	156.1	85%	0.852	80%	0.799	S	S	*	*			trans	-59	122.1	179.7	-73.9	-178.1	177.6	176.5	0	109.2	P624 S628	P624-K626 PolarHBondContact O-N 3.28Å; K626-S628 VanDerWaalsContact C-N 3.32Å; K626-S628 PolarHBondContact O-N 3.3Å
627	Q	25.2	Very low	26.1	Very low	190 Å²	190	154.7 Å²	154.7	89%	0.888	80%	0.799	S	S	*	*			trans	-64.9	90.2	173.3	-68.5	174	-20.9	0	0	109.8	V625 R629	V625-Q627 PolarHBondContact O-N 2.7Å; V625-Q627 VanDerWaalsContact O-N 3.17Å; Q627-R629 PolarHBondContact O-N 3.25Å
628	S	26.6	Very low	26.1	Very low	115 Å²	115	153.3 Å²	153.3	80%	0.804	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.4	121.7	163.7	40.6	0	0	0	0	107.9	K626	K626-S628 VanDerWaalsContact C-N 3.32Å; K626-S628 PolarHBondContact O-N 3.3Å
629	R	25.2	Very low	26	Very low	236 Å²	236	153.5 Å²	153.5	89%	0.891	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-61.4	144.8	-168.5	-55.4	178.5	-165.5	165.5	4.5	110.8	Q627 R631	Q627-R629 PolarHBondContact O-N 3.25Å; R629-R631 PolarHBondContact O-N 3.28Å
630	L	26.1	Very low	26.2	Very low	160 Å²	160	156.8 Å²	156.8	84%	0.838	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-51.2	122.3	173.4	-71.3	75.1	0	0	0	109.9
631	R	27.6	Very low	26.4	Very low	231 Å²	231	160.2 Å²	160.2	87%	0.872	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-90.1	116.8	154.8	-83.8	-174.3	171.1	173.1	-2.2	107.4	R629 I633	R629-R631 PolarHBondContact O-N 3.28Å; R631-I633 PolarHBondContact O-N 3.2Å; R631-I633 VanDerWaalsContact O-N 3.07Å
632	N	26.6	Very low	26.8	Very low	152 Å²	152	158.6 Å²	158.6	81%	0.813	79%	0.794	S	S	*	*			trans	-68.9	102.2	171	-66.4	-23.2	0	0	0	108.4
633	I	27.6	Very low	27.2	Very low	146 Å²	146	156.2 Å²	156.2	75%	0.749	79%	0.791	S	S	*	*			trans	-92.8	130.8	170.4	-61.1	179.3	0	0	0	107.6	R631	R631-I633 PolarHBondContact O-N 3.2Å; R631-I633 VanDerWaalsContact O-N 3.07Å
634	P	26.9	Very low	27.6	Very low	115 Å²	115	152.9 Å²	152.9	75%	0.747	77%	0.774	S	S	*	*			trans	-62.5	148.4	-177.2	-24.2	34.8	0	0	0	113.4	S636	P634-S636 PolarHBondContact O-N 3.41Å
635	K	24.7	Very low	28	Very low	204 Å²	204	149.9 Å²	149.9	89%	0.887	76%	0.756	S	S	*	*			trans	-72.7	91.4	172.9	-64.2	177.7	-179.5	178.8	0	110
636	S	26.6	Very low	28.2	Very low	94 Å²	94	147 Å²	147	66%	0.657	74%	0.735	S	S	*	*			trans	-71.9	131.3	161.7	-166.2	0	0	0	0	109.1	P634 T638	P634-S636 PolarHBondContact O-N 3.41Å; S636-T638 PolarHBondContact O-N 3.45Å
637	I	26.1	Very low	28.6	Very low	161 Å²	161	146.2 Å²	146.2	83%	0.826	73%	0.734	S	S	*	*			trans	-100	81.2	177.9	-55.9	175.3	0	0	0	107.3
638	T	27.2	Very low	29	Very low	95 Å²	95	143.5 Å²	143.5	58%	0.583	73%	0.725	S	S	*	*			trans	-100	134.5	173.6	39.9	0	0	0	0	110.2	S636	S636-T638 PolarHBondContact O-N 3.45Å
639	N	27.4	Very low	29.5	Very low	138 Å²	138	141.1 Å²	141.1	74%	0.738	70%	0.699	S	S	*	*			trans	-66.2	136.1	-172.8	-68.2	-45.6	0	0	0	111.6	H641	N639-H641 PolarHBondContact O-N 2.83Å
640	H	27.9	Very low	30	Very low	175 Å²	175	137.3 Å²	137.3	81%	0.81	69%	0.691	S	S	*	*			trans	-70.4	74.3	177.5	-67.3	-54	0	0	0	112.6	H642	H640-H642 PolarHBondContact O-N 3.05Å; H640-H642 VanDerWaalsContact O-N 3.1Å
641	H	29.6	Very low	30.5	Very low	168 Å²	168	133.1 Å²	133.1	78%	0.778	67%	0.669	S	S	*	*			trans	-70.6	97.6	156.9	-78.6	-81.4	0	0	0	108.2	N639 N643	N639-H641 PolarHBondContact O-N 2.83Å; H641-N643 PolarHBondContact O-N 3.17Å
642	H	34.6	Very low	31.1	Very low	151 Å²	151	126.9 Å²	126.9	70%	0.699	65%	0.653	S	S	*	*			trans	-60.2	105.8	170.6	-78.5	-75.3	0	0	0	109.1	H640 D644	H640-H642 PolarHBondContact O-N 3.05Å; H640-H642 VanDerWaalsContact O-N 3.1Å; H642-D644 PolarHBondContact O-N 3.38Å
643	N	33.4	Very low	31.4	Very low	149 Å²	149	121.2 Å²	121.2	80%	0.797	63%	0.631	S	S	*	*			trans	-80.6	87	178.6	-158	-2.6	0	0	0	107.9	H641 S645	H641-N643 PolarHBondContact O-N 3.17Å; N643-S645 PolarHBondContact O-N 3.37Å
644	D	33.5	Very low	31.7	Very low	80 Å²	80	119.1 Å²	119.1	43%	0.428	61%	0.614	S	S	.	*			trans	-69.9	45.4	-170.1	-70.7	-36.6	0	0	0	114.1	H642 I646	H642-D644 PolarHBondContact O-N 3.38Å; D644-I646 PolarHBondContact O-N 2.92Å
645	S	34.7	Very low	32	Very low	53 Å²	53	119.1 Å²	119.1	37%	0.371	60%	0.604	S	S	.	*			trans	-66.7	115.4	174.7	-177.1	0	0	0	0	110.9	N643 H647 N648	N643-S645 PolarHBondContact O-N 3.37Å; S645-H647 PolarHBondContact O-N 2.87Å; S645-H647 VanDerWaalsContact O-N 3.08Å; S645-N648 PolarHBondContact O-N 2.92Å; S645-N648 VanDerWaalsContact O-N 3.08Å
646	I	30.4	Very low	32.3	Very low	79 Å²	79	112.9 Å²	112.9	41%	0.405	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-56.7	-25.8	-179.8	-62.2	170.9	0	0	0	111.7	M351 D644 N648 W649	M351-I646 HydrophobicContact CG-CD1 4.39Å; D644-I646 PolarHBondContact O-N 2.92Å; I646-N648 PolarHBondContact O-N 3.07Å; I646-W649 WeakPolarHBondContact O-CB 3.48Å; I646-W649 PolarHBondContact O-N 2.93Å
647	H	33	Very low	32.7	Very low	179 Å²	179	114 Å²	114	83%	0.829	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-61.5	-25.9	177.6	-94.1	-84	0	0	0	114.2	S645 W649	S645-H647 PolarHBondContact O-N 2.87Å; S645-H647 VanDerWaalsContact O-N 3.08Å; H647-W649 PolarHBondContact O-N 3.2Å
648	N	33.8	Very low	33	Very low	133 Å²	133	109.9 Å²	109.9	71%	0.711	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-79.9	-5	177.2	-68.4	-16.4	0	0	0	113	S645 I646 Q650	S645-N648 PolarHBondContact O-N 2.92Å; S645-N648 VanDerWaalsContact O-N 3.08Å; I646-N648 PolarHBondContact O-N 3.07Å; N648-Q650 VanDerWaalsContact C-N 3.28Å; N648-Q650 PolarHBondContact O-N 3.14Å
649	W	36.4	Very low	33	Very low	65 Å²	65	113.3 Å²	113.3	25%	0.246	58%	0.579	C	S	.	*			trans	-86.3	61.5	-174.4	-66.9	23.1	0	0	0	112.2	R347 A350 M351 I646 H647 L651	R347-W649 HydrophobicContact CB-CE3 4.28Å; R347-W649 HydrophobicContact CB-CH2 4.07Å; R347-W649 HydrophobicContact CB-CZ3 3.62Å; R347-W649 HydrophobicContact CG-CE3 4.26Å; R347-W649 HydrophobicContact CG-CH2 4.24Å; R347-W649 HydrophobicContact CG-CZ3 3.94Å; R347-W649 VanDerWaalsContact O-CH2 3.28Å; R347-W649 WeakPolarHBondContact O-CH2 3.14Å; R347-W649 VanDerWaalsContact O-CZ3 3.31Å; R347-W649 WeakPolarHBondContact O-CZ3 3.26Å; A350-W649 HydrophobicContact CB-CH2 3.95Å; A350-W649 HydrophobicContact CB-CZ2 4.33Å; M351-W649 HydrophobicContact CB-CH2 4.31Å; M351-W649 HydrophobicContact CB-CZ3 4.17Å; I646-W649 WeakPolarHBondContact O-CB 3.48Å; I646-W649 PolarHBondContact O-N 2.93Å; H647-W649 PolarHBondContact O-N 3.2Å; W649-L651 PolarHBondContact O-N 3.29Å
650	Q	36.4	Very low	32.8	Very low	156 Å²	156	115.2 Å²	115.2	73%	0.729	58%	0.581	S	S	*	*			trans	-58.9	127.7	163.3	-76.3	-170.2	-16.5	0	0	109.6	N648 N652	N648-Q650 VanDerWaalsContact C-N 3.28Å; N648-Q650 PolarHBondContact O-N 3.14Å; Q650-N652 PolarHBondContact O-N 2.96Å
651	L	37.3	Very low	32.7	Very low	71 Å²	71	113.6 Å²	113.6	37%	0.372	58%	0.577	S	S	.	*			trans	-82	112.7	163.4	-155.8	92.9	0	0	0	107	M344 L388 W649 G653	M344-L651 HydrophobicContact CE-CD1 4.2Å; M344-L651 HydrophobicContact SD-CD1 3.87Å; L388-L651 HydrophobicContact CD1-CB 4.23Å; L388-L651 HydrophobicContact CD1-CD1 4.36Å; L388-L651 HydrophobicContact CD1-CD2 3.93Å; L388-L651 HydrophobicContact CD1-CG 4.39Å; L388-L651 HydrophobicContact CD2-CD1 3.99Å; L388-L651 HydrophobicContact CD2-CD2 3.82Å; L388-L651 HydrophobicContact CD2-CG 4.49Å; L388-L651 HydrophobicContact CG-CD2 3.85Å; W649-L651 PolarHBondContact O-N 3.29Å; L651-G653 PolarHBondContact O-N 3.1Å
652	N	38.5	Very low	32.5	Very low	100 Å²	100	111.1 Å²	111.1	54%	0.535	57%	0.573	S	S	.	*			trans	-72.2	70.3	173.9	-70	2.7	0	0	0	109.2	R259 Q650	R259-N652 PolarHBondContact NH1-O 2.79Å; Q650-N652 PolarHBondContact O-N 2.96Å
653	G	33.4	Very low	32.1	Very low	34 Å²	34	109 Å²	109	35%	0.351	58%	0.576	S	S	.	*			trans	-57.9	145.4	-154.8	0	0	0	0	0	114.3	R259 L651 E655	R259-G653 PolarHBondContact NH1-O 3.04Å; L651-G653 PolarHBondContact O-N 3.1Å; G653-E655 PolarHBondContact O-N 3.07Å
654	Y	34.6	Very low	31.8	Very low	102 Å²	102	108.8 Å²	108.8	40%	0.4	58%	0.575	S	S	.	*			trans	-58.8	99.6	169.7	-84.4	-92.9	0	0	0	109.4	H336 I340 V395 N656	H336-Y654 PolarHBondContact CD2-OH 3.17Å; H336-Y654 AromaticContact NE2-CZ 3.82Å; H336-Y654 PolarHBondContact NE2-OH 2.82Å; I340-Y654 HydrophobicContact CG2-CE2 4.23Å; V395-Y654 HydrophobicContact CG1-CD1 3.85Å; V395-Y654 HydrophobicContact CG1-CG 4.22Å; Y654-N656 PolarHBondContact O-N 2.94Å
655	E	32.5	Very low	31.5	Very low	114 Å²	114	110.6 Å²	110.6	53%	0.533	59%	0.589	S	S	.	*			trans	-81.3	100.1	176.7	-166.5	167.3	-147	0	0	107.2	G653 P657	G653-E655 PolarHBondContact O-N 3.07Å; E655-P657 WeakPolarHBondContact O-CD 3.36Å
656	N	32.1	Very low	31.1	Very low	74 Å²	74	114.8 Å²	114.8	40%	0.396	61%	0.612	S	S	.	*			trans	-57	123.1	175.7	173.5	-12.7	0	0	0	108.6	Y654 A658 Y659	Y654-N656 PolarHBondContact O-N 2.94Å; N656-A658 PolarHBondContact O-N 3.01Å; N656-A658 WeakPolarHBondContact OD1-CB 3.37Å; N656-A658 PolarHBondContact OD1-N 3.07Å; N656-Y659 HydrophobicContact CB-CD2 4.18Å; N656-Y659 PolarHBondContact O-N 3.43Å
657	P	34.6	Very low	30.8	Very low	117 Å²	117	117.8 Å²	117.8	76%	0.76	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-54.8	-20.9	-177	-29	36.3	0	0	0	115.5	E655 Y659	E655-P657 WeakPolarHBondContact O-CD 3.36Å; P657-Y659 PolarHBondContact O-N 3.5Å
658	A	31.7	Very low	30.4	Very low	75 Å²	75	119 Å²	119	62%	0.62	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-64.1	-12.1	172.3	0	0	0	0	0	114.3	N656	N656-A658 PolarHBondContact O-N 3.01Å; N656-A658 WeakPolarHBondContact OD1-CB 3.37Å; N656-A658 PolarHBondContact OD1-N 3.07Å
659	Y	27.3	Very low	29.9	Very low	166 Å²	166	122.3 Å²	122.3	65%	0.651	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-127	55.1	-176.7	-61.6	-76.1	0	0	0	112.9	N656 P657 I661	N656-Y659 HydrophobicContact CB-CD2 4.18Å; N656-Y659 PolarHBondContact O-N 3.43Å; P657-Y659 PolarHBondContact O-N 3.5Å; Y659-I661 PolarHBondContact O-N 3.32Å; Y659-I661 VanDerWaalsContact O-N 3.12Å
660	K	23.7	Very low	29.3	Very low	179 Å²	179	127.5 Å²	127.5	78%	0.778	67%	0.673	S	S	*	*			trans	-59.5	113.5	165.3	-87.3	-174.6	173.3	178.2	0	110.5	T662	K660-T662 PolarHBondContact O-N 3.16Å; K660-T662 VanDerWaalsContact O-N 3.15Å
661	I	24.3	Very low	28.6	Very low	141 Å²	141	126.3 Å²	126.3	72%	0.723	67%	0.672	S	S	*	*			trans	-78.2	96.5	172.6	-59.2	173.1	0	0	0	108.7	Y659 S663	Y659-I661 PolarHBondContact O-N 3.32Å; Y659-I661 VanDerWaalsContact O-N 3.12Å; I661-S663 PolarHBondContact O-N 3.03Å
662	T	27.2	Very low	27.9	Very low	115 Å²	115	129.3 Å²	129.3	71%	0.706	69%	0.693	S	S	*	*			trans	-79.7	96.5	177.8	53.9	0	0	0	0	111.1	K660 N664	K660-T662 PolarHBondContact O-N 3.16Å; K660-T662 VanDerWaalsContact O-N 3.15Å; T662-N664 VanDerWaalsContact C-N 3.26Å; T662-N664 PolarHBondContact O-N 3.41Å
663	S	25.2	Very low	27.1	Very low	107 Å²	107	131.1 Å²	131.1	75%	0.748	70%	0.702	S	S	*	*			trans	-77.5	64.1	-179.7	60.1	0	0	0	0	113.4	I661	I661-S663 PolarHBondContact O-N 3.03Å
664	N	26.4	Very low	26.6	Very low	145 Å²	145	139.3 Å²	139.3	78%	0.775	72%	0.723	S	S	*	*			trans	-113	86	178.7	-80.1	-1.2	0	0	0	111.8	T662	T662-N664 VanDerWaalsContact C-N 3.26Å; T662-N664 PolarHBondContact O-N 3.41Å
665	T	28.7	Very low	26.1	Very low	118 Å²	118	142.8 Å²	142.8	72%	0.724	74%	0.736	S	S	*	*			trans	-140.3	99.7	168.6	48.6	0	0	0	0	110.2
666	T	25.2	Very low	25.8	Very low	141 Å²	141	144.8 Å²	144.8	87%	0.865	75%	0.746	S	S	*	*			trans	-101.8	71.6	178.7	53.7	0	0	0	0	110.8
667	D	24.9	Very low	25.3	Very low	141 Å²	141	150.5 Å²	150.5	75%	0.754	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-90	136.8	-178	-73.7	-59.8	0	0	0	112.7
668	K	23.8	Very low	24.7	Very low	206 Å²	206	152.7 Å²	152.7	90%	0.896	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-88.8	132.1	-176.8	-73.3	-179	177.3	176.2	0	111.2
669	F	23.1	Very low	24.1	Very low	202 Å²	202	152.7 Å²	152.7	89%	0.886	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-55.5	143.2	173	-74.5	-102.1	0	0	0	112.5
670	N	23.8	Very low	23.8	Very low	173 Å²	173	152.1 Å²	152.1	93%	0.925	79%	0.789	S	S	*	*			trans	-139.6	144.8	147.3	-118.8	-26.1	0	0	0	109
671	N	21.3	Very low	23.8	Very low	132 Å²	132	153.6 Å²	153.6	71%	0.706	80%	0.796	S	S	*	*			trans	-123.3	116.2	-154	-178.4	8.6	0	0	0	112.3
672	T	24.4	Very low	23.7	Very low	134 Å²	134	155.9 Å²	155.9	82%	0.822	80%	0.803	S	S	*	*			trans	-140.2	110.6	171.6	52.2	0	0	0	0	111.7
673	N	20.9	Very low	23.3	Very low	137 Å²	137	159.1 Å²	159.1	73%	0.733	81%	0.81	S	S	*	*			trans	-55.5	152.7	174.9	-49.1	-77.3	0	0	0	113.2
674	R	23	Very low	23.3	Very low	207 Å²	207	161 Å²	161	78%	0.781	81%	0.811	S	S	*	*				176.2	131.5	117	-96.9	165	176.5	178.4	1.6	116.6
675	Y	24.7	Very low	23	Very low	174 Å²	174	160.6 Å²	160.6	68%	0.682	81%	0.809	S	S	*	*			trans	79	122.3	140.9	-64.7	-45.2	0	0	0	124.4
676	H	24.9	Very low	22.7	Very low	157 Å²	157	159.8 Å²	159.8	73%	0.727	81%	0.809	S	S	*	*			trans	66.2	94.2	142.3	-58.9	-50.8	0	0	0	121
677	H	22.3	Very low	22.6	Very low	194 Å²	194	162.8 Å²	162.8	90%	0.898	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.6	137.9	146.9	-64	-96.4	0	0	0	110.1
678	L	22.2	Very low	22.4	Very low	162 Å²	162	164.1 Å²	164.1	85%	0.848	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-96.1	125.9	159.3	-89.8	73.2	0	0	0	108.3
679	G	19.3	Very low	22.4	Very low	76 Å²	76	161 Å²	161	78%	0.784	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-91	135.1	167.8	0	0	0	0	0	110.6
680	L	21.5	Very low	22.4	Very low	153 Å²	153	160.7 Å²	160.7	80%	0.801	81%	0.809	S	S	*	*			trans	-164.9	81.1	169.5	-114.5	170.2	0	0	0	109.8
681	F	22.3	Very low	22.2	Very low	211 Å²	211	161.2 Å²	161.2	93%	0.925	81%	0.806	S	S	*	*			trans	-179.1	123.2	145.2	-93.6	-61	0	0	0	107
682	H	22.2	Very low	22.4	Very low	189 Å²	189	165.9 Å²	165.9	88%	0.875	83%	0.828	S	S	*	*			trans	-86.9	153.8	-173.6	-91.1	-103.7	0	0	0	112.4
683	Q	20.3	Very low	22.3	Very low	183 Å²	183	167.5 Å²	167.5	86%	0.855	83%	0.829	S	S	*	*			trans	-72.6	138.4	168.3	-66	157.5	-91.7	0	0	110.3
684	D	23.1	Very low	22.3	Very low	145 Å²	145	169.1 Å²	169.1	78%	0.775	83%	0.834	S	S	*	*			trans	-128	91.4	156	-102.8	-51.4	0	0	0	109.2
685	N	21.8	Very low	22.3	Very low	137 Å²	137	166.9 Å²	166.9	73%	0.733	84%	0.837	S	S	*	*			trans	57.2	141.5	143.1	-57.7	-57.7	0	0	0	122.6
686	S	21.7	Very low	22.2	Very low	102 Å²	102	166.5 Å²	166.5	71%	0.713	85%	0.846	S	S	*	*			trans	70.8	73.6	146.8	-172.3	0	0	0	0	119.1
687	F	23.5	Very low	22	Very low	204 Å²	204	167.1 Å²	167.1	90%	0.895	85%	0.853	S	S	*	*			trans	-151.4	38.9	139.2	-101.7	-63.7	0	0	0	112.6	D689	F687-D689 PolarHBondContact O-N 3.46Å
688	D	21.4	Very low	22	Very low	169 Å²	169	165.3 Å²	165.3	90%	0.904	85%	0.85	S	S	*	*			trans	-91.5	81.8	167.1	-74.5	-51.1	0	0	0	109.4
689	D	22.5	Very low	22	Very low	140 Å²	140	165.6 Å²	165.6	75%	0.749	85%	0.85	S	S	*	*			trans	-147.3	155.8	171.1	-121.2	-36.2	0	0	0	109.6	F687	F687-D689 PolarHBondContact O-N 3.46Å
690	F	22.7	Very low	22.2	Very low	196 Å²	196	172.5 Å²	172.5	86%	0.86	86%	0.855	S	S	*	*			trans	72.8	73.3	-171.2	-53.2	-75.4	0	0	0	116.6
691	E	20.1	Very low	22.2	Very low	184 Å²	184	174.1 Å²	174.1	86%	0.86	86%	0.86	S	S	*	*			trans	-64.4	165	139.8	-65.6	-171.1	119.9	0	0	111.1
692	I	25.1	Very low	22.2	Very low	229 Å²	229	170.7 Å²	170.7	100%	1.174	85%	0.854	S	S	*	*			trans	87.7	0	177.8	-50	177	0	0	0	115.1

Retrieved 692 of 692 residues in 165.4 ms (Link to these results)

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