A0A096NYP4_PAPAN Loading...

CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2

A beta-galactoside alpha2-3 sialyltransferase primarily involved in terminal sialylation of ganglio and globo series glycolipids. Catalyzes the transfer of sialic acid (N-acetyl-neuraminic acid; Neu5Ac) from the nucleotide sugar donor CMP-Neu5Ac onto acceptor Galbeta-(1->3)-GalNAc-terminated glycoconjugates through an alpha2-3 linkage. Sialylates GM1/GM1a, GA1/asialo-GM1 and GD1b gangliosides to form GD1a, GM1b and GT1b, respectively. Together with ST3GAL3, primarily responsible for biosynthesis of brain GD1a and GT1b that function as ligands for myelin-associated glycoprotein MAG on axons, regulating MAG expression and axonal myelin stability and regeneration. Via GT1b regulates TLR2 signaling in spinal cord microglia in response to nerve injury. Responsible for the sialylation of the pluripotent stem cell- and cancer stem cell-associated antigen SSEA3, forming SSEA4. Sialylates with low efficiency asialofetuin, presumably onto O-glycosidically linked Galbeta-(1->3)-GalNAc-O-Ser.

AlphaFold DB , UniProt , Accession A0A096NYP4, Species PAPAN (Papio anubis, Olive baboon), Gene ST3GAL2, Length 350 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	46.1	Very low	64.7	Low	243 Å²	243	137 Å²	137	100%	1.197	68%	0.678	S	S	*	*				0	109	0	-70.8	155.3	67.4	0	0	108.2	C3	M1-C3 PolarHBondContact O-N 3.49Å
2	K	51.4	Low	65.8	Low	217 Å²	217	129.8 Å²	129.8	94%	0.943	65%	0.647	S	S	*	*			trans	-86.8	106.9	-179.8	-74.7	178.9	176.8	178.6	0	108.2	S4	K2-S4 PolarHBondContact O-N 3Å
3	C	50.8	Low	66.7	Low	109 Å²	109	123.6 Å²	123.6	74%	0.736	63%	0.629	S	S	*	*			trans	-68.6	122.7	175.5	-148.1	0	0	0	0	108.4	M1	M1-C3 PolarHBondContact O-N 3.49Å
4	S	73.3	Confident	67.3	Low	66 Å²	66	126.2 Å²	126.2	46%	0.462	63%	0.634	S	S	.	*			trans	-62.7	134.7	-177.1	169.1	0	0	0	0	110.4	K2 R6 V7 W8	K2-S4 PolarHBondContact O-N 3Å; S4-R6 PolarHBondContact O-N 3.37Å; S4-R6 PolarHBondContact OG-N 3.48Å; S4-V7 WeakPolarHBondContact O-CB 3.46Å; S4-V7 PolarHBondContact O-N 3.16Å; S4-W8 PolarHBondContact O-N 3.36Å
5	L	63.2	Low	68.1	Low	127 Å²	127	124.9 Å²	124.9	67%	0.665	63%	0.629	S	S	*	*	H	α-helix	trans	-50.2	-32	179.2	-148.1	81	0	0	0	112	W8 F9	L5-W8 PolarHBondContact O-N 3.35Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 HydrophobicContact CG-CD2 4.32Å; L5-F9 HydrophobicContact CG-CE2 3.9Å; L5-F9 WeakPolarHBondContact O-CD2 3.48Å; L5-F9 PolarHBondContact O-N 2.92Å; L5-F9 VanDerWaalsContact O-N 3.08Å
6	R	65.8	Low	68.7	Low	205 Å²	205	123 Å²	123	77%	0.774	62%	0.62	S	S	*	*	H	α-helix	trans	-66.6	-35.5	176.7	-73.4	-175.6	174.2	-178.3	-1.9	113.8	S4 W8 L10	S4-R6 PolarHBondContact O-N 3.37Å; S4-R6 PolarHBondContact OG-N 3.48Å; R6-W8 VanDerWaalsContact C-N 3.34Å; R6-L10 WeakPolarHBondContact O-CG 3.39Å; R6-L10 PolarHBondContact O-N 2.86Å; R6-L10 VanDerWaalsContact O-N 3.16Å
7	V	69.4	Low	69.2	Low	73 Å²	73	121.8 Å²	121.8	44%	0.442	62%	0.621	S	S	.	*	H	α-helix	trans	-70.2	-38.2	176.6	180	0	0	0	0	109.6	S4 L10 S11	S4-V7 WeakPolarHBondContact O-CB 3.46Å; S4-V7 PolarHBondContact O-N 3.16Å; V7-L10 PolarHBondContact O-N 3.01Å; V7-S11 WeakPolarHBondContact O-CB 3.41Å; V7-S11 PolarHBondContact O-N 3.41Å; V7-S11 PolarHBondContact O-OG 3.08Å
8	W	72.6	Confident	69.7	Low	158 Å²	158	122.7 Å²	122.7	60%	0.598	62%	0.62	S	S	*	*	H	α-helix	trans	-63.3	-44.6	175.5	-171	78.2	0	0	0	112.2	S4 L5 R6 L10 S11 V12	S4-W8 PolarHBondContact O-N 3.36Å; L5-W8 PolarHBondContact O-N 3.35Å; R6-W8 VanDerWaalsContact C-N 3.34Å; W8-L10 PolarHBondContact O-N 3.05Å; W8-S11 PolarHBondContact O-N 2.98Å; W8-V12 HydrophobicContact CD2-CG2 4.13Å; W8-V12 HydrophobicContact CE3-CG2 4.48Å; W8-V12 HydrophobicContact CH2-CG2 4.47Å; W8-V12 HydrophobicContact CZ2-CG2 4.11Å; W8-V12 VanDerWaalsContact O-CG2 3.27Å; W8-V12 WeakPolarHBondContact O-CG2 3.13Å; W8-V12 PolarHBondContact O-N 3.46Å
9	F	74.7	Confident	70.1	Confident	121 Å²	121	120.1 Å²	120.1	53%	0.531	61%	0.607	S	S	.	*	H	α-helix	trans	-62.5	-41	176.3	-82	-68.1	0	0	0	113.3	L5 V12 A13	L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 HydrophobicContact CG-CD2 4.32Å; L5-F9 HydrophobicContact CG-CE2 3.9Å; L5-F9 WeakPolarHBondContact O-CD2 3.48Å; L5-F9 PolarHBondContact O-N 2.92Å; L5-F9 VanDerWaalsContact O-N 3.08Å; F9-V12 PolarHBondContact O-N 3.35Å; F9-A13 WeakPolarHBondContact O-CB 3.27Å; F9-A13 PolarHBondContact O-N 2.98Å
10	L	71.7	Confident	70.2	Confident	116 Å²	116	119.5 Å²	119.5	61%	0.607	60%	0.603	S	S	*	*	H	α-helix	trans	-67	-39.9	178	-74.1	167.1	0	0	0	111.9	R6 V7 W8 A13 F14	R6-L10 WeakPolarHBondContact O-CG 3.39Å; R6-L10 PolarHBondContact O-N 2.86Å; R6-L10 VanDerWaalsContact O-N 3.16Å; V7-L10 PolarHBondContact O-N 3.01Å; W8-L10 PolarHBondContact O-N 3.05Å; L10-A13 PolarHBondContact O-N 3.44Å; L10-F14 PolarHBondContact O-N 3.46Å
11	S	73.1	Confident	70.1	Confident	72 Å²	72	117.1 Å²	117.1	50%	0.503	60%	0.598	S	S	.	*	H	α-helix	trans	-66.2	-39.9	176.6	-57.6	0	0	0	0	112.4	V7 W8 L15	V7-S11 WeakPolarHBondContact O-CB 3.41Å; V7-S11 PolarHBondContact O-N 3.41Å; V7-S11 PolarHBondContact O-OG 3.08Å; W8-S11 PolarHBondContact O-N 2.98Å; S11-L15 WeakPolarHBondContact O-CB 3.45Å; S11-L15 PolarHBondContact O-N 3.07Å
12	V	77.6	Confident	71	Confident	51 Å²	51	110.1 Å²	110.1	31%	0.309	57%	0.565	S	S	.	*	H	α-helix	trans	-68.7	-38.9	177.2	173.3	0	0	0	0	111.2	W8 F9 L15 L16	W8-V12 HydrophobicContact CD2-CG2 4.13Å; W8-V12 HydrophobicContact CE3-CG2 4.48Å; W8-V12 HydrophobicContact CH2-CG2 4.47Å; W8-V12 HydrophobicContact CZ2-CG2 4.11Å; W8-V12 VanDerWaalsContact O-CG2 3.27Å; W8-V12 WeakPolarHBondContact O-CG2 3.13Å; W8-V12 PolarHBondContact O-N 3.46Å; F9-V12 PolarHBondContact O-N 3.35Å; V12-L15 PolarHBondContact O-N 3.33Å; V12-L16 HydrophobicContact CG1-CD1 4.12Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 2.97Å
13	A	76.8	Confident	71.6	Confident	49 Å²	49	104 Å²	104	41%	0.405	54%	0.542	S	S	.	.	H	α-helix	trans	-64	-43.1	175.9	0	0	0	0	0	112.1	F9 L10 L16 V17	F9-A13 WeakPolarHBondContact O-CB 3.27Å; F9-A13 PolarHBondContact O-N 2.98Å; L10-A13 PolarHBondContact O-N 3.44Å; A13-L16 PolarHBondContact O-N 3.03Å; A13-V17 WeakPolarHBondContact O-CG2 3.42Å; A13-V17 PolarHBondContact O-N 3.36Å
14	F	75.8	Confident	71.6	Confident	160 Å²	160	106.2 Å²	106.2	70%	0.702	54%	0.539	S	S	*	.	H	α-helix	trans	-64.2	-39.8	175.2	-102.5	-84.8	0	0	0	112.4	L10 L16 V17 F18	L10-F14 PolarHBondContact O-N 3.46Å; F14-L16 VanDerWaalsContact C-N 3.35Å; F14-L16 PolarHBondContact O-N 3Å; F14-V17 PolarHBondContact O-N 3.41Å; F14-F18 WeakPolarHBondContact O-CB 3.42Å; F14-F18 PolarHBondContact O-N 3.5Å
15	L	79.1	Confident	70.5	Confident	107 Å²	107	107.2 Å²	107.2	56%	0.56	54%	0.543	S	S	*	.	H	α-helix	trans	-63.5	-40.6	176.1	-164.1	78.8	0	0	0	111.6	S11 V12 F18 I19	S11-L15 WeakPolarHBondContact O-CB 3.45Å; S11-L15 PolarHBondContact O-N 3.07Å; V12-L15 PolarHBondContact O-N 3.33Å; L15-F18 PolarHBondContact O-N 3.45Å; L15-I19 HydrophobicContact CD2-CD1 4.25Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 WeakPolarHBondContact O-CB 3.47Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.39Å; L15-I19 PolarHBondContact O-N 3.43Å
16	L	77.6	Confident	69.7	Low	94 Å²	94	109.2 Å²	109.2	49%	0.492	54%	0.543	S	S	.	.	H	α-helix	trans	-65.5	-42.1	177	-79.3	165.3	0	0	0	112.4	V12 A13 F14 F18 I19 M20	V12-L16 HydrophobicContact CG1-CD1 4.12Å; V12-L16 WeakPolarHBondContact O-CG 3.46Å; V12-L16 PolarHBondContact O-N 2.97Å; A13-L16 PolarHBondContact O-N 3.03Å; F14-L16 VanDerWaalsContact C-N 3.35Å; F14-L16 PolarHBondContact O-N 3Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-I19 PolarHBondContact O-N 3.3Å; L16-M20 WeakPolarHBondContact O-CB 3.4Å; L16-M20 VanDerWaalsContact O-CG 3.27Å; L16-M20 WeakPolarHBondContact O-CG 3.22Å; L16-M20 PolarHBondContact O-N 3.38Å
17	V	77.9	Confident	68.7	Low	103 Å²	103	103.9 Å²	103.9	62%	0.624	54%	0.536	S	S	*	.	H	α-helix	trans	-64	-41.2	175.8	174	0	0	0	0	110.8	A13 F14 M20 S21	A13-V17 WeakPolarHBondContact O-CG2 3.42Å; A13-V17 PolarHBondContact O-N 3.36Å; F14-V17 PolarHBondContact O-N 3.41Å; V17-M20 PolarHBondContact O-N 3.38Å; V17-S21 WeakPolarHBondContact O-CB 3.27Å; V17-S21 PolarHBondContact O-N 2.98Å
18	F	77.5	Confident	67.5	Low	138 Å²	138	108 Å²	108	61%	0.605	55%	0.551	S	S	*	*	H	α-helix	trans	-65.6	-43.3	177.2	-171.3	-104.2	0	0	0	112.3	F14 L15 L16 S21 L22	F14-F18 WeakPolarHBondContact O-CB 3.42Å; F14-F18 PolarHBondContact O-N 3.5Å; L15-F18 PolarHBondContact O-N 3.45Å; L16-F18 VanDerWaalsContact C-N 3.34Å; F18-S21 PolarHBondContact O-N 2.93Å; F18-L22 HydrophobicContact CD1-CD1 3.76Å; F18-L22 HydrophobicContact CE1-CD1 3.25Å; F18-L22 HydrophobicContact CE2-CD1 4.11Å; F18-L22 HydrophobicContact CG-CD1 4.39Å; F18-L22 HydrophobicContact CZ-CD1 3.45Å; F18-L22 VanDerWaalsContact CZ-CD1 3.45Å; F18-L22 PolarHBondContact O-N 2.84Å
19	I	77.2	Confident	66	Low	73 Å²	73	108.5 Å²	108.5	37%	0.374	56%	0.559	S	S	.	*	H	α-helix	trans	-64.3	-42.7	176.4	-69.6	167.5	0	0	0	111	L15 L16 S21 L22 L23	L15-I19 HydrophobicContact CD2-CD1 4.25Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 WeakPolarHBondContact O-CB 3.47Å; L15-I19 VanDerWaalsContact O-CG1 3.22Å; L15-I19 WeakPolarHBondContact O-CG1 3.39Å; L15-I19 PolarHBondContact O-N 3.43Å; L16-I19 PolarHBondContact O-N 3.3Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 2.89Å; I19-L22 PolarHBondContact O-N 3.13Å; I19-L23 HydrophobicContact CG2-CD1 3.94Å; I19-L23 HydrophobicContact CG2-CG 4.41Å; I19-L23 WeakPolarHBondContact O-CG 3.23Å; I19-L23 PolarHBondContact O-N 3.17Å
20	M	73.2	Confident	64.2	Low	107 Å²	107	106.2 Å²	106.2	53%	0.527	56%	0.559	S	S	.	*	H	α-helix	trans	-64.6	-37.3	176.9	-72.4	-65	130	0	0	112.2	L16 V17 L23 F24	L16-M20 WeakPolarHBondContact O-CB 3.4Å; L16-M20 VanDerWaalsContact O-CG 3.27Å; L16-M20 WeakPolarHBondContact O-CG 3.22Å; L16-M20 PolarHBondContact O-N 3.38Å; V17-M20 PolarHBondContact O-N 3.38Å; M20-L23 HydrophobicContact CE-CD1 3.92Å; M20-L23 PolarHBondContact O-N 2.9Å; M20-F24 PolarHBondContact O-N 2.74Å
21	S	66.9	Low	62.1	Low	71 Å²	71	109.4 Å²	109.4	50%	0.497	57%	0.573	S	S	.	*	H	α-helix	trans	-67	-40	173.9	-167	0	0	0	0	112.2	V17 F18 I19 F24 T25	V17-S21 WeakPolarHBondContact O-CB 3.27Å; V17-S21 PolarHBondContact O-N 2.98Å; F18-S21 PolarHBondContact O-N 2.93Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 2.89Å; S21-F24 PolarHBondContact O-N 3.25Å; S21-T25 PolarHBondContact O-N 3.14Å; S21-T25 VanDerWaalsContact O-N 3.08Å; S21-T25 PolarHBondContact O-OG1 3.45Å
22	L	65.7	Low	60.1	Low	95 Å²	95	109.6 Å²	109.6	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-65.4	-41.8	175.1	-113.4	112.1	0	0	0	112	F18 I19 T25 Y26	F18-L22 HydrophobicContact CD1-CD1 3.76Å; F18-L22 HydrophobicContact CE1-CD1 3.25Å; F18-L22 HydrophobicContact CE2-CD1 4.11Å; F18-L22 HydrophobicContact CG-CD1 4.39Å; F18-L22 HydrophobicContact CZ-CD1 3.45Å; F18-L22 VanDerWaalsContact CZ-CD1 3.45Å; F18-L22 PolarHBondContact O-N 2.84Å; I19-L22 PolarHBondContact O-N 3.13Å; L22-T25 PolarHBondContact O-N 2.78Å; L22-Y26 WeakPolarHBondContact O-CB 3.44Å; L22-Y26 PolarHBondContact O-N 2.94Å
23	L	64.3	Low	57.9	Low	90 Å²	90	113.9 Å²	113.9	47%	0.471	61%	0.605	S	S	.	*	H	α-helix	trans	-63.9	-41.8	176	-72.1	169.4	0	0	0	111.3	I19 M20 T25 Y26 S27	I19-L23 HydrophobicContact CG2-CD1 3.94Å; I19-L23 HydrophobicContact CG2-CG 4.41Å; I19-L23 WeakPolarHBondContact O-CG 3.23Å; I19-L23 PolarHBondContact O-N 3.17Å; M20-L23 HydrophobicContact CE-CD1 3.92Å; M20-L23 PolarHBondContact O-N 2.9Å; L23-T25 VanDerWaalsContact C-N 3.31Å; L23-T25 PolarHBondContact O-N 3.25Å; L23-Y26 PolarHBondContact O-N 2.89Å; L23-S27 WeakPolarHBondContact O-CB 3.3Å; L23-S27 PolarHBondContact O-N 3.33Å; L23-S27 PolarHBondContact O-OG 2.86Å
24	F	49.3	Very low	55.6	Low	155 Å²	155	119.1 Å²	119.1	68%	0.68	63%	0.625	S	S	*	*	H	α-helix	trans	-61.5	-38.2	174.8	-115.9	-88.9	0	0	0	112.9	M20 S21 H28	M20-F24 PolarHBondContact O-N 2.74Å; S21-F24 PolarHBondContact O-N 3.25Å; F24-H28 PolarHBondContact O-N 3.43Å
25	T	51	Low	53.3	Low	86 Å²	86	117.2 Å²	117.2	53%	0.528	63%	0.629	S	S	.	*	H	α-helix	trans	-74.2	-33.9	179.3	-39.8	0	0	0	0	111.4	S21 L22 L23	S21-T25 PolarHBondContact O-N 3.14Å; S21-T25 VanDerWaalsContact O-N 3.08Å; S21-T25 PolarHBondContact O-OG1 3.45Å; L22-T25 PolarHBondContact O-N 2.78Å; L23-T25 VanDerWaalsContact C-N 3.31Å; L23-T25 PolarHBondContact O-N 3.25Å
26	Y	47.3	Very low	50.7	Low	170 Å²	170	122.2 Å²	122.2	67%	0.667	64%	0.642	S	S	*	*	H	α-helix	trans	-74.9	-37.2	175.7	-157.9	-94	0	0	0	112.3	L22 L23 H28 H29 S30	L22-Y26 WeakPolarHBondContact O-CB 3.44Å; L22-Y26 PolarHBondContact O-N 2.94Å; L23-Y26 PolarHBondContact O-N 2.89Å; Y26-H28 VanDerWaalsContact C-N 3.25Å; Y26-H28 PolarHBondContact O-N 3.3Å; Y26-H29 PolarHBondContact O-N 2.82Å; Y26-H29 VanDerWaalsContact O-N 3.13Å; Y26-S30 PolarHBondContact O-N 2.93Å
27	S	44.8	Very low	48.3	Very low	92 Å²	92	126.1 Å²	126.1	64%	0.643	66%	0.662	S	S	*	*	H	α-helix	trans	-65.5	-25	175.5	-63.6	0	0	0	0	113.3	L23	L23-S27 WeakPolarHBondContact O-CB 3.3Å; L23-S27 PolarHBondContact O-N 3.33Å; L23-S27 PolarHBondContact O-OG 2.86Å
28	H	43.1	Very low	45.8	Very low	160 Å²	160	128.2 Å²	128.2	74%	0.741	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-13.6	173.5	-102.9	-67.6	0	0	0	114.5	F24 Y26	F24-H28 PolarHBondContact O-N 3.43Å; Y26-H28 VanDerWaalsContact C-N 3.25Å; Y26-H28 PolarHBondContact O-N 3.3Å
29	H	40.3	Very low	43.5	Very low	168 Å²	168	127.2 Å²	127.2	78%	0.778	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-0.9	-177.9	-94.2	-57.7	0	0	0	115.2	Y26	Y26-H29 PolarHBondContact O-N 2.82Å; Y26-H29 VanDerWaalsContact O-N 3.13Å
30	S	37.7	Very low	41	Very low	74 Å²	74	126.9 Å²	126.9	52%	0.517	70%	0.695	S	S	.	*			trans	-143.4	65.1	-177.1	-175.4	0	0	0	0	114.1	Y26	Y26-S30 PolarHBondContact O-N 2.93Å
31	M	28.2	Very low	38.8	Very low	183 Å²	183	126.3 Å²	126.3	90%	0.901	71%	0.707	S	S	*	*	S	Bend	trans	-165.4	130.3	147.5	-70.7	-159.3	86.8	0	0	107.6
32	A	31.4	Very low	37	Very low	76 Å²	76	131.7 Å²	131.7	63%	0.628	73%	0.729	S	S	*	*			cis	-162.1	124.7	-7.1	0	0	0	0	0	107.1
33	T	30.3	Very low	35.3	Very low	141 Å²	141	131.2 Å²	131.2	87%	0.865	75%	0.747	S	S	*	*			trans	-68.7	124.5	154.2	34.5	0	0	0	0	108.4
34	L	28.1	Very low	33.5	Very low	159 Å²	159	129.8 Å²	129.8	83%	0.832	75%	0.754	S	S	*	*			trans	-105.1	120.6	169.5	-129.6	88.8	0	0	0	109.7
35	P	28.5	Very low	33.1	Very low	119 Å²	119	129.4 Å²	129.4	77%	0.773	77%	0.765	S	S	*	*			trans	-92.9	116.6	175.7	33.3	-25.9	0	0	0	109.7
36	Y	24.9	Very low	32.1	Very low	213 Å²	213	133.4 Å²	133.4	84%	0.835	78%	0.777	S	S	*	*			trans	-152.3	84.5	159	-162.3	-94.2	0	0	0	109.9
37	L	26.6	Very low	31.4	Very low	176 Å²	176	137.2 Å²	137.2	92%	0.921	79%	0.791	S	S	*	*			trans	-155.1	93.1	161.5	-95.1	171.2	0	0	0	107
38	D	26.3	Very low	30.8	Very low	146 Å²	146	139.1 Å²	139.1	78%	0.781	80%	0.798	S	S	*	*			trans	-150.1	121.7	137.4	-160.7	9.8	0	0	0	110.6
39	S	27.7	Very low	30.1	Very low	117 Å²	117	140.9 Å²	140.9	82%	0.818	80%	0.803	S	S	*	*			trans	-169.8	103.8	155.2	-77	0	0	0	0	106.5
40	G	26.2	Very low	29.9	Very low	67 Å²	67	140.4 Å²	140.4	69%	0.691	81%	0.806	S	S	*	*			trans	-65.7	148	178.7	0	0	0	0	0	114.4
41	A	27.1	Very low	29.6	Very low	95 Å²	95	143.2 Å²	143.2	79%	0.785	82%	0.82	S	S	*	*			trans	53.7	111.5	145.7	0	0	0	0	0	119.8
42	L	29	Very low	30	Very low	183 Å²	183	139.6 Å²	139.6	96%	0.958	81%	0.809	S	S	*	*				-154.7	138.3	122.3	-123.8	98	0	0	0	110
43	G	29.3	Very low	30.2	Very low	85 Å²	85	139.1 Å²	139.1	88%	0.876	81%	0.812	S	S	*	*			trans	-66.5	156.7	-165.2	0	0	0	0	0	116.8
44	G	27.5	Very low	30.4	Very low	60 Å²	60	143.6 Å²	143.6	62%	0.619	82%	0.815	S	S	*	*			trans	176.4	97.3	172.3	0	0	0	0	0	110.4	H46	G44-H46 PolarHBondContact O-N 2.92Å
45	T	40.5	Very low	30.8	Very low	147 Å²	147	140.7 Å²	140.7	90%	0.902	81%	0.813	S	S	*	*			trans	-56.6	96.2	170.3	28.3	0	0	0	0	111
46	H	29.8	Very low	31.2	Very low	171 Å²	171	138.6 Å²	138.6	79%	0.792	81%	0.814	S	S	*	*			trans	-114.7	107.4	164.7	-77	-75	0	0	0	110.1	G44 V48	G44-H46 PolarHBondContact O-N 2.92Å; H46-V48 PolarHBondContact O-N 3.47Å; H46-V48 VanDerWaalsContact O-N 3.11Å
47	R	31.8	Very low	31.6	Very low	250 Å²	250	136.2 Å²	136.2	94%	0.943	82%	0.815	S	S	*	*			trans	-49.2	111.6	170	-75.8	174.2	164.5	171.8	-5.4	109.9	K49	R47-K49 PolarHBondContact O-N 3.4Å; R47-K49 VanDerWaalsContact O-N 3.15Å
48	V	31.7	Very low	31.9	Very low	132 Å²	132	136.7 Å²	136.7	80%	0.8	81%	0.812	S	S	*	*			trans	-68.1	108.9	162.2	-179.3	0	0	0	0	106.7	H46 L50	H46-V48 PolarHBondContact O-N 3.47Å; H46-V48 VanDerWaalsContact O-N 3.11Å; V48-L50 PolarHBondContact O-N 2.95Å
49	K	30.4	Very low	32.4	Very low	196 Å²	196	141 Å²	141	85%	0.852	82%	0.818	S	S	*	*			trans	-66.8	101.8	167.3	-108.5	179.3	175.9	179.2	0	107.1	R47 V51	R47-K49 PolarHBondContact O-N 3.4Å; R47-K49 VanDerWaalsContact O-N 3.15Å; K49-V51 PolarHBondContact O-N 3.28Å
50	L	34.7	Very low	32.5	Very low	159 Å²	159	143.8 Å²	143.8	83%	0.832	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-54.4	118.6	160.5	-72.6	158.6	0	0	0	107.4	V48	V48-L50 PolarHBondContact O-N 2.95Å
51	V	32.1	Very low	33	Very low	133 Å²	133	144.7 Å²	144.7	81%	0.806	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.4	125.4	168.7	-178	0	0	0	0	106.5	K49 G53	K49-V51 PolarHBondContact O-N 3.28Å; V51-G53 PolarHBondContact O-N 3.34Å
52	P	36.8	Very low	33.4	Very low	106 Å²	106	150.1 Å²	150.1	69%	0.688	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-60.5	128.5	-177.1	-21.6	32.1	0	0	0	110.5	Y54	P52-Y54 PolarHBondContact O-N 3.47Å
53	G	34.1	Very low	33.8	Very low	66 Å²	66	149.8 Å²	149.8	68%	0.68	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-55.2	136.8	161.8	0	0	0	0	0	108.8	V51 A55	V51-G53 PolarHBondContact O-N 3.34Å; G53-A55 PolarHBondContact O-N 3Å
54	Y	35.2	Very low	34.3	Very low	236 Å²	236	149 Å²	149	93%	0.925	81%	0.809	S	S	*	*	S	Bend	trans	-69.1	71.9	172.4	-79	-86.3	0	0	0	109.7	P52	P52-Y54 PolarHBondContact O-N 3.47Å
55	A	37.3	Very low	34.9	Very low	97 Å²	97	154.1 Å²	154.1	80%	0.802	82%	0.822	S	S	*	*			trans	-107.2	116.8	158.6	0	0	0	0	0	106.3	G53	G53-A55 PolarHBondContact O-N 3Å
56	G	36.6	Very low	35.6	Very low	76 Å²	76	153.8 Å²	153.8	78%	0.784	83%	0.825	S	S	*	*			trans	99.6	64	168	0	0	0	0	0	115.9
57	L	32.7	Very low	37.1	Very low	163 Å²	163	148.2 Å²	148.2	85%	0.853	81%	0.814	S	S	*	*			trans	-88.8	102.9	136.5	-106.3	141.5	0	0	0	105.7	R59	L57-R59 PolarHBondContact O-N 3.49Å
58	Q	32.9	Very low	38.9	Very low	185 Å²	185	142.1 Å²	142.1	86%	0.864	79%	0.794	S	S	*	*			trans	-47.8	108.4	169.2	-82.6	165.9	-45.1	0	0	108	L60	Q58-L60 PolarHBondContact O-N 2.91Å
59	R	37	Very low	41.3	Very low	238 Å²	238	138.7 Å²	138.7	90%	0.898	78%	0.776	S	S	*	*			trans	-50	111.6	154.2	-93.5	177.7	171.6	178.1	-2.8	105.1	L57 S61	L57-R59 PolarHBondContact O-N 3.49Å; R59-S61 PolarHBondContact O-N 2.83Å
60	L	31	Very low	43.9	Very low	174 Å²	174	129.8 Å²	129.8	91%	0.911	74%	0.739	S	S	*	*			trans	-58.7	92.2	148.9	-98.1	149.6	0	0	0	105	Q58 K62	Q58-L60 PolarHBondContact O-N 2.91Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 3.25Å
61	S	36.5	Very low	46.5	Very low	87 Å²	87	126 Å²	126	61%	0.608	72%	0.722	S	S	*	*			trans	-57.8	102.5	164.7	45	0	0	0	0	106.2	R59 E63	R59-S61 PolarHBondContact O-N 2.83Å; S61-E63 PolarHBondContact O-N 2.95Å
62	K	35.4	Very low	49.2	Very low	208 Å²	208	119.8 Å²	119.8	90%	0.904	68%	0.684	S	S	*	*			trans	-65.6	80.3	146.4	-89.9	-174.5	173	180	0	106.6	L60	L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 3.25Å
63	E	36.3	Very low	51.5	Low	177 Å²	177	123.9 Å²	123.9	83%	0.827	69%	0.686	S	S	*	*			trans	-59.6	130.1	153.2	-77.4	-174.1	158.1	0	0	107.6	S61	S61-E63 PolarHBondContact O-N 2.95Å
64	G	40.2	Very low	53.9	Low	68 Å²	68	126.4 Å²	126.4	70%	0.701	68%	0.675	S	S	*	*			trans	89.8	71.9	163	0	0	0	0	0	116.1
65	L	40.5	Very low	56.5	Low	168 Å²	168	115.5 Å²	115.5	88%	0.88	63%	0.633	S	S	*	*				-162.2	101.8	129.6	-98	137.9	0	0	0	107.4	G67	L65-G67 PolarHBondContact O-N 3.32Å
66	S	55.8	Low	59.1	Low	139 Å²	139	111 Å²	111	97%	0.972	60%	0.596	S	S	*	*			trans	-65.9	66.3	164.5	170.1	0	0	0	0	109.1
67	G	60.2	Low	61.4	Low	54 Å²	54	109.3 Å²	109.3	56%	0.557	58%	0.578	S	S	*	*			trans	-96.7	125.2	173.7	0	0	0	0	0	108.9	L65 S69	L65-G67 PolarHBondContact O-N 3.32Å; G67-S69 PolarHBondContact O-N 3.29Å
68	K	70.8	Confident	64	Low	123 Å²	123	103.5 Å²	103.5	54%	0.535	55%	0.548	S	S	.	.			trans	-56	136.5	170.8	-71.3	-174.6	163.6	-165.2	0	109.8	C70 C72 R73	K68-C70 WeakPolarHBondContact CB-O 3.47Å; K68-C70 PolarHBondContact O-N 3.31Å; K68-C72 PolarHBondContact NZ-O 3.39Å; K68-R73 PolarHBondContact NZ-O 2.71Å
69	S	81.8	Confident	66.5	Low	60 Å²	60	100.3 Å²	100.3	42%	0.42	54%	0.541	S	S	.	.	S	Bend	trans	-70.5	-11.1	177.6	53.3	0	0	0	0	113.9	G67 C75 D78	G67-S69 PolarHBondContact O-N 3.29Å; S69-C75 WeakPolarHBondContact OG-CB 3.35Å; S69-D78 WeakPolarHBondContact CB-OD1 3.25Å; S69-D78 PolarHBondContact N-OD1 2.97Å; S69-D78 PolarHBondContact OG-OD1 3.46Å
70	C	84.6	Confident	68.7	Low	9 Å²	9	92 Å²	92	6%	0.061	53%	0.53	C	S	.	.	S	Bend	trans	-154.3	178	-178	82.4	0	0	0	0	111.4	K68 C72 C75 D292	K68-C70 WeakPolarHBondContact CB-O 3.47Å; K68-C70 PolarHBondContact O-N 3.31Å; C70-C72 WeakPolarHBondContact SG-CB 3.36Å; C70-C72 PolarHBondContact SG-N 3.4Å; C70-C75 WeakPolarHBondContact CA-SG 3.24Å; C70-C75 HydrophobicContact CB-CB 3.91Å; C70-C75 WeakPolarHBondContact CB-SG 3.47Å; C70-C75 PolarHBondContact N-SG 3.44Å; C70-C75 PolarHBondContact O-SG 3.48Å; C70-C75 VanDerWaalsContact SG-CA 3.59Å; C70-C75 WeakPolarHBondContact SG-CB 3.48Å; C70-C75 CovalentContact SG-SG 2.03Å; C70-C75 PolarHBondContact SG-SG 3.43Å; C70-D292 HydrophobicContact CB-CB 4.13Å
71	T	88.6	Confident	71.3	Confident	78 Å²	78	87 Å²	87	48%	0.479	51%	0.514	S	S	.	.	S	Bend	trans	-88.6	-0.8	177.5	52.3	0	0	0	0	114.8	P146 H147 Q148 C149	T71-P146 WeakPolarHBondContact CG2-O 3.02Å; T71-H147 PolarHBondContact OG1-O 2.8Å; T71-Q148 PolarHBondContact OG1-O 2.59Å; T71-C149 PolarHBondContact OG1-N 2.76Å
72	C	88.6	Confident	74	Confident	3 Å²	3	84.1 Å²	84.1	2%	0.02	49%	0.493	C	S	.	.	S	Bend	trans	-66.5	166.9	177.5	-58.1	0	0	0	0	113	K68 C70 R74 C149 D292	K68-C72 PolarHBondContact NZ-O 3.39Å; C70-C72 WeakPolarHBondContact SG-CB 3.36Å; C70-C72 PolarHBondContact SG-N 3.4Å; C72-R74 VanDerWaalsContact C-N 3.26Å; C72-R74 WeakPolarHBondContact CB-O 3.48Å; C72-R74 PolarHBondContact O-N 3.1Å; C72-C149 WeakPolarHBondContact CA-SG 3.15Å; C72-C149 HydrophobicContact CB-CB 4.01Å; C72-C149 WeakPolarHBondContact CB-SG 3.33Å; C72-C149 WeakPolarHBondContact SG-CA 3.19Å; C72-C149 WeakPolarHBondContact SG-CB 3.46Å; C72-C149 CovalentContact SG-SG 2.02Å; C72-C149 PolarHBondContact SG-SG 2.73Å; C72-D292 WeakPolarHBondContact SG-CB 3.45Å
73	R	85.3	Confident	76.9	Confident	192 Å²	192	80.7 Å²	80.7	73%	0.725	49%	0.485	S	S	*	.	S	Bend	trans	-59	-42.8	171.6	-175	178.6	177.8	178.1	0.4	110.8	K68	K68-R73 PolarHBondContact NZ-O 2.71Å
74	R	85.8	Confident	79.7	Confident	120 Å²	120	75.1 Å²	75.1	45%	0.453	46%	0.456	S	S	.	.	S	Bend	trans	-131.9	138.6	173	-56.7	-176.7	-173	107.8	-5.2	108	C72 S342	C72-R74 VanDerWaalsContact C-N 3.26Å; C72-R74 WeakPolarHBondContact CB-O 3.48Å; C72-R74 PolarHBondContact O-N 3.1Å; R74-S342 WeakPolarHBondContact CD-O 3.46Å
75	C	89.1	Confident	82.4	Confident	6 Å²	6	71.9 Å²	71.9	4%	0.041	42%	0.423	C	S	.	.			trans	-112.5	140	177.5	-54.5	0	0	0	0	110.2	S69 C70 G77 D78	S69-C75 WeakPolarHBondContact OG-CB 3.35Å; C70-C75 WeakPolarHBondContact CA-SG 3.24Å; C70-C75 HydrophobicContact CB-CB 3.91Å; C70-C75 WeakPolarHBondContact CB-SG 3.47Å; C70-C75 PolarHBondContact N-SG 3.44Å; C70-C75 PolarHBondContact O-SG 3.48Å; C70-C75 VanDerWaalsContact SG-CA 3.59Å; C70-C75 WeakPolarHBondContact SG-CB 3.48Å; C70-C75 CovalentContact SG-SG 2.03Å; C70-C75 PolarHBondContact SG-SG 3.43Å; C75-G77 VanDerWaalsContact C-N 3.28Å; C75-G77 PolarHBondContact O-N 3.12Å; C75-D78 WeakPolarHBondContact CB-OD1 3.3Å; C75-D78 WeakPolarHBondContact CB-OD2 3.49Å; C75-D78 WeakPolarHBondContact O-CB 3.38Å; C75-D78 PolarHBondContact O-N 2.66Å
76	M	91.8	Very high	85	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.015	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-41.9	-177.1	-173.4	91.8	-50	0	0	113.2	D78 F85 F89 L288 D292 K343	M76-D78 PolarHBondContact O-N 2.97Å; M76-F85 HydrophobicContact CE-CZ 4.29Å; M76-F85 HydrophobicContact CG-CZ 4.22Å; M76-F85 HydrophobicContact SD-CE2 4.43Å; M76-F85 HydrophobicContact SD-CZ 3.93Å; M76-F89 HydrophobicContact CG-CE2 4.24Å; M76-F89 HydrophobicContact CG-CZ 4.22Å; M76-L288 HydrophobicContact CG-CB 4.5Å; M76-L288 VanDerWaalsContact CG-O 3.26Å; M76-L288 WeakPolarHBondContact CG-O 3.21Å; M76-L288 HydrophobicContact SD-CB 3.65Å; M76-L288 HydrophobicContact SD-CD1 4.41Å; M76-L288 HydrophobicContact SD-CD2 3.6Å; M76-L288 HydrophobicContact SD-CG 4.03Å; M76-D292 PolarHBondContact N-O 3.22Å; M76-K343 HydrophobicContact CE-CB 3.6Å; M76-K343 HydrophobicContact CE-CD 3.43Å; M76-K343 VanDerWaalsContact CE-CD 3.43Å; M76-K343 HydrophobicContact CE-CG 4.1Å; M76-K343 WeakPolarHBondContact CE-O 3.32Å; M76-K343 PolarHBondContact O-NZ 2.74Å
77	G	84.3	Confident	86.9	Confident	40 Å²	40	62.7 Å²	62.7	41%	0.412	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-5.3	-178	0	0	0	0	0	115.1	C75 T79	C75-G77 VanDerWaalsContact C-N 3.28Å; C75-G77 PolarHBondContact O-N 3.12Å; G77-T79 PolarHBondContact O-N 2.93Å
78	D	86.9	Confident	88.6	Confident	42 Å²	42	61.6 Å²	61.6	23%	0.225	35%	0.349	C	S	.	.			trans	-69.9	124.1	178	-66.4	-8.1	0	0	0	109.9	S69 C75 M76 K343	S69-D78 WeakPolarHBondContact CB-OD1 3.25Å; S69-D78 PolarHBondContact N-OD1 2.97Å; S69-D78 PolarHBondContact OG-OD1 3.46Å; C75-D78 WeakPolarHBondContact CB-OD1 3.3Å; C75-D78 WeakPolarHBondContact CB-OD2 3.49Å; C75-D78 WeakPolarHBondContact O-CB 3.38Å; C75-D78 PolarHBondContact O-N 2.66Å; M76-D78 PolarHBondContact O-N 2.97Å; D78-K343 PolarHBondContact O-NZ 3.36Å
79	T	85.4	Confident	89.8	Confident	117 Å²	117	57.8 Å²	57.8	72%	0.718	33%	0.333	S	S	*	.			trans	-87.9	165.9	175.8	56.1	0	0	0	0	111.6	G77 D86	G77-T79 PolarHBondContact O-N 2.93Å; T79-D86 WeakPolarHBondContact CA-OD2 3.4Å
80	G	83.7	Confident	90.5	Very high	65 Å²	65	58 Å²	58	67%	0.67	33%	0.329	S	S	*	.	S	Bend	trans	89	-1.2	175.2	0	0	0	0	0	114.9	D86	G80-D86 PolarHBondContact N-OD2 3.15Å
81	A	85.6	Confident	90.9	Very high	69 Å²	69	60.1 Å²	60.1	57%	0.57	35%	0.353	S	S	*	.	S	Bend	trans	-82.5	-29.9	173.7	0	0	0	0	0	112.7
82	S	93.8	Very high	91.1	Very high	25 Å²	25	63.7 Å²	63.7	18%	0.175	37%	0.369	C	S	.	.			trans	-160.6	115.3	-179.8	174.9	0	0	0	0	110.5	W84 F85 D86	S82-W84 PolarHBondContact O-N 2.79Å; S82-F85 PolarHBondContact O-N 3.39Å; S82-F85 VanDerWaalsContact O-N 3.09Å; S82-F85 PolarHBondContact OG-N 2.98Å; S82-D86 WeakPolarHBondContact O-CB 3.25Å; S82-D86 VanDerWaalsContact O-CG 3.27Å; S82-D86 PolarHBondContact O-N 3.36Å
83	D	95.2	Very high	91.5	Very high	137 Å²	137	65.1 Å²	65.1	73%	0.733	38%	0.376	S	S	*	.	H	α-helix	trans	-59.6	-33.9	174.8	-65.2	-23.3	0	0	0	111.8	S87	D83-S87 VanDerWaalsContact O-CB 3.24Å; D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.43Å; D83-S87 PolarHBondContact O-OG 3.08Å
84	W	95.8	Very high	92	Very high	59 Å²	59	57 Å²	57	22%	0.223	35%	0.349	C	S	.	.	H	α-helix	trans	-60.2	-54.3	172.2	170.9	79.5	0	0	0	110.1	S82 D86 S87 H88 W269 I334 M337 L338	S82-W84 PolarHBondContact O-N 2.79Å; W84-D86 PolarHBondContact O-N 3.26Å; W84-S87 PolarHBondContact O-N 3.45Å; W84-S87 PolarHBondContact O-OG 3.26Å; W84-H88 AromaticContact CD1-CE1 3.43Å; W84-H88 VanDerWaalsContact CD1-CE1 3.43Å; W84-H88 AromaticContact CD1-ND1 3.56Å; W84-H88 AromaticContact NE1-CE1 3.42Å; W84-H88 PolarHBondContact NE1-CE1 3.1Å; W84-H88 AromaticContact NE1-ND1 3.55Å; W84-H88 PolarHBondContact O-N 3.08Å; W84-H88 PolarHBondContact O-ND1 3.36Å; W84-W269 HydrophobicContact CH2-CE3 4.16Å; W84-W269 AromaticContact CH2-CZ3 3.77Å; W84-W269 HydrophobicContact CH2-CZ3 3.77Å; W84-W269 HydrophobicContact CZ2-CE3 4.14Å; W84-W269 HydrophobicContact CZ2-CZ3 4.06Å; W84-W269 HydrophobicContact CZ3-CZ3 4.28Å; W84-I334 HydrophobicContact CH2-CG2 4.45Å; W84-M337 HydrophobicContact CD2-SD 4.34Å; W84-M337 HydrophobicContact CE3-CB 4.2Å; W84-M337 HydrophobicContact CH2-CB 3.59Å; W84-M337 HydrophobicContact CH2-CE 4.01Å; W84-M337 HydrophobicContact CZ2-CB 4.05Å; W84-M337 HydrophobicContact CZ2-CE 3.3Å; W84-M337 HydrophobicContact CZ2-SD 4.09Å; W84-M337 HydrophobicContact CZ3-CB 3.67Å; W84-L338 HydrophobicContact CH2-CD2 4.1Å; W84-L338 HydrophobicContact CH2-CG 4.12Å; W84-L338 HydrophobicContact CZ3-CD2 4.05Å; W84-L338 HydrophobicContact CZ3-CG 4.32Å
85	F	96.6	Very high	92.6	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-47	178.6	-176.3	-90.7	0	0	0	112.2	M76 S82 S87 H88 F89 W269 L288 L338 K343	M76-F85 HydrophobicContact CE-CZ 4.29Å; M76-F85 HydrophobicContact CG-CZ 4.22Å; M76-F85 HydrophobicContact SD-CE2 4.43Å; M76-F85 HydrophobicContact SD-CZ 3.93Å; S82-F85 PolarHBondContact O-N 3.39Å; S82-F85 VanDerWaalsContact O-N 3.09Å; S82-F85 PolarHBondContact OG-N 2.98Å; F85-S87 VanDerWaalsContact C-N 3.28Å; F85-S87 PolarHBondContact O-N 2.75Å; F85-H88 PolarHBondContact O-N 3.09Å; F85-F89 HydrophobicContact CD1-CB 3.96Å; F85-F89 HydrophobicContact CD1-CG 4.44Å; F85-F89 HydrophobicContact CE1-CB 3.56Å; F85-F89 HydrophobicContact CE1-CD1 4.14Å; F85-F89 AromaticContact CE1-CD2 3.81Å; F85-F89 HydrophobicContact CE1-CD2 3.81Å; F85-F89 AromaticContact CE1-CG 3.57Å; F85-F89 HydrophobicContact CE1-CG 3.57Å; F85-F89 HydrophobicContact CE2-CD2 4.19Å; F85-F89 HydrophobicContact CZ-CB 3.91Å; F85-F89 AromaticContact CZ-CD2 3.39Å; F85-F89 HydrophobicContact CZ-CD2 3.39Å; F85-F89 HydrophobicContact CZ-CE2 4Å; F85-F89 AromaticContact CZ-CG 3.69Å; F85-F89 HydrophobicContact CZ-CG 3.69Å; F85-F89 WeakPolarHBondContact O-CB 3.45Å; F85-F89 PolarHBondContact O-N 2.73Å; F85-W269 AromaticContact CD2-CH2 3.57Å; F85-W269 HydrophobicContact CD2-CH2 3.57Å; F85-W269 HydrophobicContact CD2-CZ3 4.05Å; F85-W269 AromaticContact CE2-CH2 3.6Å; F85-W269 HydrophobicContact CE2-CH2 3.6Å; F85-W269 HydrophobicContact CE2-CZ2 4.47Å; F85-W269 HydrophobicContact CE2-CZ3 4.34Å; F85-W269 HydrophobicContact CG-CH2 4.34Å; F85-W269 HydrophobicContact CZ-CH2 4.39Å; F85-L288 HydrophobicContact CE2-CD1 4.4Å; F85-L338 HydrophobicContact CD2-CD2 3.68Å; F85-L338 HydrophobicContact CE2-CD2 3.72Å; F85-K343 HydrophobicContact CB-CG 4.42Å; F85-K343 HydrophobicContact CD1-CD 3.77Å; F85-K343 HydrophobicContact CD1-CG 4.25Å; F85-K343 HydrophobicContact CD2-CB 4.23Å; F85-K343 HydrophobicContact CD2-CD 3.97Å; F85-K343 HydrophobicContact CD2-CG 3.62Å; F85-K343 HydrophobicContact CE1-CD 3.7Å; F85-K343 HydrophobicContact CE1-CG 4.43Å; F85-K343 HydrophobicContact CE2-CB 4.12Å; F85-K343 HydrophobicContact CE2-CD 3.9Å; F85-K343 HydrophobicContact CE2-CG 3.84Å; F85-K343 HydrophobicContact CG-CD 3.9Å; F85-K343 HydrophobicContact CG-CG 3.83Å; F85-K343 HydrophobicContact CZ-CD 3.76Å; F85-K343 HydrophobicContact CZ-CG 4.24Å
86	D	95.2	Very high	93	Very high	47 Å²	47	51.4 Å²	51.4	25%	0.251	33%	0.328	S	S	.	.	H	α-helix	trans	-66.2	-30.5	-174.3	-67.9	-8.4	0	0	0	112.5	T79 G80 S82 W84	T79-D86 WeakPolarHBondContact CA-OD2 3.4Å; G80-D86 PolarHBondContact N-OD2 3.15Å; S82-D86 WeakPolarHBondContact O-CB 3.25Å; S82-D86 VanDerWaalsContact O-CG 3.27Å; S82-D86 PolarHBondContact O-N 3.36Å; W84-D86 PolarHBondContact O-N 3.26Å
87	S	95.3	Very high	93.3	Very high	66 Å²	66	51.5 Å²	51.5	46%	0.462	33%	0.328	S	S	.	.	H	α-helix	trans	-75.1	-24.7	174	60	0	0	0	0	113.1	D83 W84 F85 R268	D83-S87 VanDerWaalsContact O-CB 3.24Å; D83-S87 WeakPolarHBondContact O-CB 3.41Å; D83-S87 PolarHBondContact O-N 3.43Å; D83-S87 PolarHBondContact O-OG 3.08Å; W84-S87 PolarHBondContact O-N 3.45Å; W84-S87 PolarHBondContact O-OG 3.26Å; F85-S87 VanDerWaalsContact C-N 3.28Å; F85-S87 PolarHBondContact O-N 2.75Å; S87-R268 PolarHBondContact O-NH2 2.85Å
88	H	96.4	Very high	93.9	Very high	32 Å²	32	49.8 Å²	49.8	15%	0.148	31%	0.31	C	S	.	.	H	α-helix	trans	-92.1	-37.7	-179.5	-72.6	88.8	0	0	0	113.1	W84 F85 Y264 R268 W269	W84-H88 AromaticContact CD1-CE1 3.43Å; W84-H88 VanDerWaalsContact CD1-CE1 3.43Å; W84-H88 AromaticContact CD1-ND1 3.56Å; W84-H88 AromaticContact NE1-CE1 3.42Å; W84-H88 PolarHBondContact NE1-CE1 3.1Å; W84-H88 AromaticContact NE1-ND1 3.55Å; W84-H88 PolarHBondContact O-N 3.08Å; W84-H88 PolarHBondContact O-ND1 3.36Å; F85-H88 PolarHBondContact O-N 3.09Å; H88-Y264 PolarHBondContact O-OH 2.91Å; H88-R268 PolarHBondContact CD2-O 2.94Å; H88-R268 PolarHBondContact NE2-O 3.43Å; H88-W269 HydrophobicContact CB-CD2 4.12Å; H88-W269 HydrophobicContact CB-CE3 4.06Å; H88-W269 HydrophobicContact CB-CH2 3.71Å; H88-W269 HydrophobicContact CB-CZ2 3.77Å; H88-W269 HydrophobicContact CB-CZ3 3.86Å
89	F	96.7	Very high	94.4	Very high	43 Å²	43	53.3 Å²	53.3	19%	0.189	32%	0.32	C	S	.	.			trans	-73.4	123.7	-173.1	-169.5	-98.7	0	0	0	112.9	M76 F85 Y264 W269 L288 H289	M76-F89 HydrophobicContact CG-CE2 4.24Å; M76-F89 HydrophobicContact CG-CZ 4.22Å; F85-F89 HydrophobicContact CD1-CB 3.96Å; F85-F89 HydrophobicContact CD1-CG 4.44Å; F85-F89 HydrophobicContact CE1-CB 3.56Å; F85-F89 HydrophobicContact CE1-CD1 4.14Å; F85-F89 AromaticContact CE1-CD2 3.81Å; F85-F89 HydrophobicContact CE1-CD2 3.81Å; F85-F89 AromaticContact CE1-CG 3.57Å; F85-F89 HydrophobicContact CE1-CG 3.57Å; F85-F89 HydrophobicContact CE2-CD2 4.19Å; F85-F89 HydrophobicContact CZ-CB 3.91Å; F85-F89 AromaticContact CZ-CD2 3.39Å; F85-F89 HydrophobicContact CZ-CD2 3.39Å; F85-F89 HydrophobicContact CZ-CE2 4Å; F85-F89 AromaticContact CZ-CG 3.69Å; F85-F89 HydrophobicContact CZ-CG 3.69Å; F85-F89 WeakPolarHBondContact O-CB 3.45Å; F85-F89 PolarHBondContact O-N 2.73Å; F89-Y264 WeakPolarHBondContact CA-OH 3.36Å; F89-W269 HydrophobicContact CB-CH2 4.32Å; F89-W269 HydrophobicContact CB-CZ2 4.05Å; F89-W269 HydrophobicContact CD2-CZ2 4.14Å; F89-L288 HydrophobicContact CE2-CB 4.49Å; F89-H289 AromaticContact CD2-CE1 3.82Å; F89-H289 AromaticContact CD2-NE2 3.84Å; F89-H289 AromaticContact CE2-CD2 3.87Å; F89-H289 AromaticContact CE2-CE1 3.47Å; F89-H289 VanDerWaalsContact CE2-CE1 3.47Å; F89-H289 WeakPolarHBondContact CE2-CE1 3.1Å; F89-H289 AromaticContact CE2-ND1 3.83Å; F89-H289 AromaticContact CE2-NE2 3.49Å; F89-H289 WeakPolarHBondContact CE2-NE2 3.34Å
90	D	95.9	Very high	94.8	Very high	64 Å²	64	55 Å²	55	34%	0.342	32%	0.32	S	S	.	.			trans	-114.4	107.1	171.7	-177.6	-2.5	0	0	0	108.9	N92 I93 Y264 H289	D90-N92 PolarHBondContact O-N 3.33Å; D90-N92 WeakPolarHBondContact OD1-CB 3.38Å; D90-N92 PolarHBondContact OD1-N 3.16Å; D90-I93 HydrophobicContact CB-CG2 4.3Å; D90-I93 WeakPolarHBondContact O-CG2 3.4Å; D90-Y264 HydrophobicContact CB-CE2 3.82Å; D90-Y264 PolarHBondContact N-OH 3.16Å; D90-H289 PolarHBondContact O-CD2 3.36Å; D90-H289 PolarHBondContact O-NE2 3.37Å
91	G	92.7	Very high	95.4	Very high	54 Å²	54	54 Å²	54	56%	0.557	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-12.7	180	0	0	0	0	0	114.7
92	N	93.5	Very high	95.8	Very high	153 Å²	153	51.8 Å²	51.8	82%	0.818	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-15.4	-174.6	-64.5	-45.6	0	0	0	113.4	D90 S94	D90-N92 PolarHBondContact O-N 3.33Å; D90-N92 WeakPolarHBondContact OD1-CB 3.38Å; D90-N92 PolarHBondContact OD1-N 3.16Å; N92-S94 PolarHBondContact O-N 3.07Å
93	I	96	Very high	95.9	Very high	32 Å²	32	56.3 Å²	56.3	16%	0.164	30%	0.299	C	S	.	.	S	Bend	trans	-73.9	128.3	179.7	-166.3	168.1	0	0	0	110.8	D90 F261 Y264	D90-I93 HydrophobicContact CB-CG2 4.3Å; D90-I93 WeakPolarHBondContact O-CG2 3.4Å; I93-F261 HydrophobicContact CB-CD2 4.36Å; I93-F261 HydrophobicContact CD1-CB 4.36Å; I93-F261 HydrophobicContact CD1-CD2 4.08Å; I93-F261 HydrophobicContact CG1-CB 4.4Å; I93-F261 HydrophobicContact CG1-CD2 3.99Å; I93-F261 HydrophobicContact CG2-CD2 3.56Å; I93-F261 HydrophobicContact CG2-CE2 3.75Å; I93-Y264 HydrophobicContact CD1-CD1 4.11Å; I93-Y264 HydrophobicContact CD1-CD2 4.2Å; I93-Y264 HydrophobicContact CD1-CG 3.62Å; I93-Y264 HydrophobicContact CG2-CD1 3.93Å; I93-Y264 HydrophobicContact CG2-CE1 3.98Å; I93-Y264 HydrophobicContact CG2-CG 4.24Å
94	S	96.9	Very high	95.9	Very high	23 Å²	23	50.8 Å²	50.8	16%	0.161	27%	0.27	C	S	.	.			trans	-83.2	124.4	-179.2	-179.8	0	0	0	0	111	N92 V96 N101 N258	N92-S94 PolarHBondContact O-N 3.07Å; S94-V96 PolarHBondContact O-N 3.4Å; S94-V96 PolarHBondContact OG-N 2.93Å; S94-V96 PolarHBondContact OG-O 2.6Å; S94-N101 WeakPolarHBondContact CB-ND2 3.42Å; S94-N258 WeakPolarHBondContact O-CB 3.38Å; S94-N258 PolarHBondContact O-ND2 2.94Å
95	P	97.9	Very high	95.9	Very high	6 Å²	6	51 Å²	51	4%	0.039	28%	0.279	C	S	.	.	S	Bend	trans	-73.7	-15.7	176.5	31	-35.6	0	0	0	113.5	N258 F261 F286 H289 V290	P95-N258 PolarHBondContact O-N 3.28Å; P95-F261 HydrophobicContact CB-CD1 3.64Å; P95-F261 HydrophobicContact CB-CD2 4.48Å; P95-F261 HydrophobicContact CB-CE1 3.65Å; P95-F261 HydrophobicContact CB-CE2 4.48Å; P95-F261 HydrophobicContact CB-CG 4.09Å; P95-F261 HydrophobicContact CB-CZ 4.1Å; P95-F286 HydrophobicContact CB-CD2 3.61Å; P95-F286 HydrophobicContact CB-CE2 3.88Å; P95-F286 HydrophobicContact CB-CG 4.29Å; P95-F286 HydrophobicContact CG-CD2 4.33Å; P95-F286 HydrophobicContact CG-CE2 4.25Å; P95-H289 HydrophobicContact CG-CB 4.38Å; P95-V290 HydrophobicContact CG-CG1 3.78Å
96	V	98.1	Very high	95.8	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.3	179	-68.4	0	0	0	0	111.9	S94 T98 N101 N139 Y141 Q255 I256 F286	S94-V96 PolarHBondContact O-N 3.4Å; S94-V96 PolarHBondContact OG-N 2.93Å; S94-V96 PolarHBondContact OG-O 2.6Å; V96-T98 HydrophobicContact CG2-CG2 4.03Å; V96-N101 PolarHBondContact O-ND2 3.21Å; V96-N139 HydrophobicContact CG2-CB 3.64Å; V96-N139 WeakPolarHBondContact CG2-OD1 3.28Å; V96-Y141 HydrophobicContact CG1-CD2 4.24Å; V96-Y141 HydrophobicContact CG1-CE2 3.85Å; V96-Q255 HydrophobicContact CG1-CB 4.15Å; V96-I256 CarbonylContact C-O 3.51Å; V96-I256 WeakPolarHBondContact CA-O 3.22Å; V96-F286 HydrophobicContact CG1-CE2 3.83Å; V96-F286 HydrophobicContact CG1-CZ 4.11Å
97	W	97.3	Very high	95.9	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.1	175.2	-147.9	0.6	0	0	0	108.9	N101 M102 L104 T124 L128 F132 L224 I256 N258 P259	W97-N101 WeakPolarHBondContact CA-OD1 3.23Å; W97-N101 PolarHBondContact NE1-O 3.15Å; W97-M102 VanDerWaalsContact NE1-CA 3.34Å; W97-M102 PolarHBondContact NE1-O 3.31Å; W97-L104 HydrophobicContact CH2-CD1 3.85Å; W97-L104 HydrophobicContact CZ2-CD1 3.48Å; W97-L104 VanDerWaalsContact CZ2-CD1 3.48Å; W97-L104 HydrophobicContact CZ2-CD2 4.13Å; W97-L104 HydrophobicContact CZ2-CG 3.66Å; W97-T124 HydrophobicContact CH2-CG2 3.44Å; W97-T124 VanDerWaalsContact CH2-CG2 3.44Å; W97-T124 HydrophobicContact CZ2-CG2 3.98Å; W97-T124 HydrophobicContact CZ3-CG2 4.41Å; W97-L128 HydrophobicContact CD2-CD1 3.88Å; W97-L128 HydrophobicContact CD2-CD2 4.08Å; W97-L128 VanDerWaalsContact CE2-CD1 3.42Å; W97-L128 HydrophobicContact CE3-CD1 4.16Å; W97-L128 HydrophobicContact CE3-CD2 3.83Å; W97-L128 HydrophobicContact CH2-CD1 3.66Å; W97-L128 HydrophobicContact CH2-CD2 4.47Å; W97-L128 HydrophobicContact CH2-CG 4.44Å; W97-L128 HydrophobicContact CZ2-CD1 3.3Å; W97-L128 HydrophobicContact CZ2-CG 4.47Å; W97-L128 HydrophobicContact CZ3-CD1 4.07Å; W97-L128 HydrophobicContact CZ3-CD2 4.05Å; W97-L128 HydrophobicContact CZ3-CG 4.5Å; W97-F132 WeakPolarHBondContact O-CZ 3.35Å; W97-L224 HydrophobicContact CE3-CD2 4.49Å; W97-L224 HydrophobicContact CH2-CD1 4.29Å; W97-L224 HydrophobicContact CZ3-CD1 3.78Å; W97-L224 HydrophobicContact CZ3-CD2 4.26Å; W97-I256 HydrophobicContact CB-CB 4.1Å; W97-I256 HydrophobicContact CB-CG2 4.14Å; W97-I256 HydrophobicContact CE3-CG2 3.91Å; W97-I256 PolarHBondContact N-O 2.96Å; W97-N258 HydrophobicContact CB-CB 4.29Å; W97-P259 HydrophobicContact CD2-CG 4.26Å; W97-P259 HydrophobicContact CE3-CG 3.76Å; W97-P259 HydrophobicContact CH2-CG 3.68Å; W97-P259 HydrophobicContact CZ2-CG 4.2Å; W97-P259 HydrophobicContact CZ3-CG 3.44Å; W97-P259 VanDerWaalsContact CZ3-CG 3.44Å
98	T	97.3	Very high	96	Very high	5 Å²	5	54 Å²	54	3%	0.031	30%	0.295	C	S	.	.			trans	-130.3	174.6	-172	68.5	0	0	0	0	110.2	V96 E100 N101 M102 G137 N139	V96-T98 HydrophobicContact CG2-CG2 4.03Å; T98-E100 PolarHBondContact O-N 2.78Å; T98-E100 PolarHBondContact OG1-N 3.15Å; T98-N101 PolarHBondContact N-OD1 2.68Å; T98-N101 PolarHBondContact O-N 3.23Å; T98-N101 PolarHBondContact O-OD1 3.08Å; T98-N101 PolarHBondContact OG1-OD1 3.45Å; T98-M102 PolarHBondContact O-N 3.44Å; T98-M102 VanDerWaalsContact O-N 3.16Å; T98-G137 CarbonylContact C-O 3.56Å; T98-G137 VanDerWaalsContact CA-O 3.28Å; T98-G137 WeakPolarHBondContact CA-O 3.23Å; T98-G137 WeakPolarHBondContact CB-O 3.43Å; T98-N139 HydrophobicContact CG2-CB 3.99Å
99	R	96.6	Very high	95.9	Very high	115 Å²	115	55.5 Å²	55.5	43%	0.434	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-60.6	-33.4	172.3	-64.9	173.9	-179.4	-84.7	9.3	112.9	N101 M102 F132 G137	R99-N101 VanDerWaalsContact C-N 3.32Å; R99-N101 PolarHBondContact O-N 2.62Å; R99-M102 HydrophobicContact CB-CE 4.07Å; R99-M102 HydrophobicContact CG-CE 4.23Å; R99-F132 HydrophobicContact CG-CB 4.2Å; R99-F132 HydrophobicContact CG-CD2 3.68Å; R99-F132 HydrophobicContact CG-CE2 4.29Å; R99-F132 HydrophobicContact CG-CG 4.12Å; R99-F132 PolarHBondContact NH2-O 3.48Å; R99-G137 PolarHBondContact N-O 2.65Å
100	E	95.3	Very high	95.8	Very high	154 Å²	154	61.2 Å²	61.2	72%	0.72	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-75	-19.2	-177	-61.7	-179.7	169.2	0	0	113.3	T98 R142	T98-E100 PolarHBondContact O-N 2.78Å; T98-E100 PolarHBondContact OG1-N 3.15Å; E100-R142 IonicContact OE1-NH1 3.71Å; E100-R142 PolarHBondContact OE1-NH1 3.09Å; E100-R142 VanDerWaalsContact OE1-NH1 3.13Å; E100-R142 IonicContact OE2-NH1 2.64Å; E100-R142 PolarHBondContact OE2-NH1 2.88Å
101	N	95.4	Very high	95.8	Very high	43 Å²	43	60.1 Å²	60.1	23%	0.23	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-132.4	27.7	-176.1	67.8	21.1	0	0	0	113	S94 V96 W97 T98 R99 D103	S94-N101 WeakPolarHBondContact CB-ND2 3.42Å; V96-N101 PolarHBondContact O-ND2 3.21Å; W97-N101 WeakPolarHBondContact CA-OD1 3.23Å; W97-N101 PolarHBondContact NE1-O 3.15Å; T98-N101 PolarHBondContact N-OD1 2.68Å; T98-N101 PolarHBondContact O-N 3.23Å; T98-N101 PolarHBondContact O-OD1 3.08Å; T98-N101 PolarHBondContact OG1-OD1 3.45Å; R99-N101 VanDerWaalsContact C-N 3.32Å; R99-N101 PolarHBondContact O-N 2.62Å; N101-D103 VanDerWaalsContact C-N 3.26Å; N101-D103 PolarHBondContact O-N 3.33Å
102	M	94.1	Very high	95.9	Very high	23 Å²	23	57.6 Å²	57.6	11%	0.113	29%	0.287	C	S	.	.			trans	-66	-29.6	-178.2	66.4	173.1	68.2	0	0	113.4	W97 T98 R99 L104 L128 E129 F132	W97-M102 VanDerWaalsContact NE1-CA 3.34Å; W97-M102 PolarHBondContact NE1-O 3.31Å; T98-M102 PolarHBondContact O-N 3.44Å; T98-M102 VanDerWaalsContact O-N 3.16Å; R99-M102 HydrophobicContact CB-CE 4.07Å; R99-M102 HydrophobicContact CG-CE 4.23Å; M102-L104 PolarHBondContact O-N 3.29Å; M102-L128 HydrophobicContact CB-CD1 4Å; M102-E129 HydrophobicContact CE-CG 4.41Å; M102-E129 HydrophobicContact SD-CG 4.22Å; M102-F132 HydrophobicContact CE-CD2 4.15Å; M102-F132 HydrophobicContact CE-CE2 4.25Å
103	D	94.9	Very high	95.9	Very high	119 Å²	119	53.7 Å²	53.7	64%	0.636	27%	0.265	S	S	*	.			trans	-75	106	178.3	-66.9	-41.9	0	0	0	111.5	N101 N125	N101-D103 VanDerWaalsContact C-N 3.26Å; N101-D103 PolarHBondContact O-N 3.33Å; D103-N125 PolarHBondContact OD1-ND2 3.26Å
104	L	95.1	Very high	95.8	Very high	22 Å²	22	58 Å²	58	12%	0.115	29%	0.285	C	S	.	.			trans	-82.5	140.6	175.1	-64	177.2	0	0	0	111.1	W97 M102 V108 Q109 P259 A260	W97-L104 HydrophobicContact CH2-CD1 3.85Å; W97-L104 HydrophobicContact CZ2-CD1 3.48Å; W97-L104 VanDerWaalsContact CZ2-CD1 3.48Å; W97-L104 HydrophobicContact CZ2-CD2 4.13Å; W97-L104 HydrophobicContact CZ2-CG 3.66Å; M102-L104 PolarHBondContact O-N 3.29Å; L104-V108 HydrophobicContact CB-CB 4.46Å; L104-V108 HydrophobicContact CB-CG1 4.36Å; L104-V108 HydrophobicContact CD1-CG1 4.35Å; L104-V108 HydrophobicContact CD2-CG1 4.11Å; L104-Q109 HydrophobicContact CB-CB 4.22Å; L104-P259 HydrophobicContact CD1-CB 3.83Å; L104-P259 HydrophobicContact CD1-CG 4.08Å; L104-P259 HydrophobicContact CD2-CB 4.39Å; L104-A260 HydrophobicContact CD2-CB 3.96Å
105	P	96.1	Very high	95.6	Very high	63 Å²	63	57.1 Å²	57.1	41%	0.409	28%	0.279	S	S	.	.			trans	-53.1	143.8	166.7	-27.1	35.3	0	0	0	111.8	D107 V108 Q109	P105-D107 VanDerWaalsContact C-N 3.25Å; P105-D107 VanDerWaalsContact CB-OD1 3.27Å; P105-D107 WeakPolarHBondContact CB-OD1 3.26Å; P105-D107 PolarHBondContact O-N 3.39Å; P105-D107 VanDerWaalsContact O-N 3.15Å; P105-V108 HydrophobicContact CB-CB 4.32Å; P105-V108 HydrophobicContact CB-CG2 3.89Å; P105-V108 HydrophobicContact CG-CG2 3.97Å; P105-V108 WeakPolarHBondContact O-CA 3.42Å; P105-V108 WeakPolarHBondContact O-CB 3.36Å; P105-V108 PolarHBondContact O-N 3.29Å; P105-Q109 PolarHBondContact O-N 3.35Å
106	P	95.6	Very high	95.2	Very high	92 Å²	92	58.4 Å²	58.4	60%	0.597	29%	0.285	S	S	*	.	H	α-helix	trans	-60.1	-28.5	-175.1	-27.7	35.2	0	0	0	115.1	R110	P106-R110 WeakPolarHBondContact O-CB 3.1Å; P106-R110 VanDerWaalsContact O-CG 3.23Å; P106-R110 WeakPolarHBondContact O-CG 3.45Å; P106-R110 PolarHBondContact O-N 2.83Å; P106-R110 PolarHBondContact O-NE 2.9Å
107	D	96.4	Very high	94.7	Very high	73 Å²	73	61.8 Å²	61.8	39%	0.39	31%	0.306	S	S	.	.	H	α-helix	trans	-71.5	-41.2	173.2	71.2	-60	0	0	0	111.6	P105 W111 K263	P105-D107 VanDerWaalsContact C-N 3.25Å; P105-D107 VanDerWaalsContact CB-OD1 3.27Å; P105-D107 WeakPolarHBondContact CB-OD1 3.26Å; P105-D107 PolarHBondContact O-N 3.39Å; P105-D107 VanDerWaalsContact O-N 3.15Å; D107-W111 VanDerWaalsContact O-CB 3.3Å; D107-W111 WeakPolarHBondContact O-CB 3.3Å; D107-W111 PolarHBondContact O-N 3.01Å; D107-K263 IonicContact OD2-NZ 2.73Å; D107-K263 PolarHBondContact OD2-NZ 2.76Å; D107-K263 VanDerWaalsContact OD2-NZ 3.12Å
108	V	97.1	Very high	94	Very high	13 Å²	13	65.8 Å²	65.8	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-62.8	-48.4	175.3	178.7	0	0	0	0	110.5	L104 P105 R110 W111 W112 A260 K263	L104-V108 HydrophobicContact CB-CB 4.46Å; L104-V108 HydrophobicContact CB-CG1 4.36Å; L104-V108 HydrophobicContact CD1-CG1 4.35Å; L104-V108 HydrophobicContact CD2-CG1 4.11Å; P105-V108 HydrophobicContact CB-CB 4.32Å; P105-V108 HydrophobicContact CB-CG2 3.89Å; P105-V108 HydrophobicContact CG-CG2 3.97Å; P105-V108 WeakPolarHBondContact O-CA 3.42Å; P105-V108 WeakPolarHBondContact O-CB 3.36Å; P105-V108 PolarHBondContact O-N 3.29Å; V108-R110 PolarHBondContact O-N 2.93Å; V108-W111 PolarHBondContact O-N 2.91Å; V108-W112 WeakPolarHBondContact O-CB 3.48Å; V108-W112 PolarHBondContact O-N 2.95Å; V108-A260 HydrophobicContact CG1-CB 4.13Å; V108-K263 HydrophobicContact CB-CD 4.17Å; V108-K263 HydrophobicContact CG1-CB 4.38Å; V108-K263 HydrophobicContact CG1-CD 4.36Å; V108-K263 HydrophobicContact CG2-CD 3.92Å
109	Q	94.8	Very high	93	Very high	62 Å²	62	76.3 Å²	76.3	29%	0.29	37%	0.371	S	S	.	.	H	α-helix	trans	-60.7	-46.9	-179.5	-171.9	178.7	33.2	0	0	111.5	L104 P105 W112 M113	L104-Q109 HydrophobicContact CB-CB 4.22Å; P105-Q109 PolarHBondContact O-N 3.35Å; Q109-W112 PolarHBondContact O-N 3.1Å; Q109-M113 HydrophobicContact CG-CE 3.7Å; Q109-M113 HydrophobicContact CG-SD 4.28Å; Q109-M113 VanDerWaalsContact O-CG 3.3Å; Q109-M113 WeakPolarHBondContact O-CG 3.1Å; Q109-M113 PolarHBondContact O-N 2.91Å
110	R	94.3	Very high	92.1	Very high	164 Å²	164	78 Å²	78	62%	0.619	38%	0.382	S	S	*	.	H	α-helix	trans	-62.4	-45.7	177.3	-75.9	-179.1	-65.3	157.1	-0.2	111.9	P106 V108 M113 M114	P106-R110 WeakPolarHBondContact O-CB 3.1Å; P106-R110 VanDerWaalsContact O-CG 3.23Å; P106-R110 WeakPolarHBondContact O-CG 3.45Å; P106-R110 PolarHBondContact O-N 2.83Å; P106-R110 PolarHBondContact O-NE 2.9Å; V108-R110 PolarHBondContact O-N 2.93Å; R110-M113 PolarHBondContact O-N 2.9Å; R110-M114 VanDerWaalsContact O-CG 3.29Å; R110-M114 WeakPolarHBondContact O-CG 3.37Å; R110-M114 PolarHBondContact O-N 2.89Å
111	W	96.1	Very high	91.1	Very high	41 Å²	41	75.9 Å²	75.9	16%	0.155	38%	0.384	C	S	.	.	H	α-helix	trans	-59.1	-48.1	176.9	173	86.8	0	0	0	111.4	D107 V108 M113 M114 L115 F262 K263 H266	D107-W111 VanDerWaalsContact O-CB 3.3Å; D107-W111 WeakPolarHBondContact O-CB 3.3Å; D107-W111 PolarHBondContact O-N 3.01Å; V108-W111 PolarHBondContact O-N 2.91Å; W111-M113 PolarHBondContact O-N 3.18Å; W111-M114 WeakPolarHBondContact O-CB 3.32Å; W111-M114 PolarHBondContact O-N 2.7Å; W111-L115 HydrophobicContact CD2-CD2 4.3Å; W111-L115 HydrophobicContact CE3-CD2 4.5Å; W111-L115 HydrophobicContact CH2-CD1 3.94Å; W111-L115 HydrophobicContact CH2-CD2 3.91Å; W111-L115 HydrophobicContact CH2-CG 4.4Å; W111-L115 HydrophobicContact CZ2-CD2 3.67Å; W111-L115 HydrophobicContact CZ3-CD1 3.92Å; W111-L115 HydrophobicContact CZ3-CD2 4.32Å; W111-L115 HydrophobicContact CZ3-CG 4.41Å; W111-L115 PolarHBondContact O-N 2.83Å; W111-F262 HydrophobicContact CH2-CB 4.32Å; W111-F262 HydrophobicContact CH2-CD1 4.35Å; W111-F262 AromaticContact CH2-CD2 3.72Å; W111-F262 HydrophobicContact CH2-CD2 3.72Å; W111-F262 HydrophobicContact CH2-CE2 4.12Å; W111-F262 AromaticContact CH2-CG 3.85Å; W111-F262 HydrophobicContact CH2-CG 3.85Å; W111-F262 HydrophobicContact CZ3-CB 4.25Å; W111-F262 HydrophobicContact CZ3-CD1 4.46Å; W111-F262 HydrophobicContact CZ3-CD2 4.45Å; W111-F262 HydrophobicContact CZ3-CG 4.13Å; W111-K263 HydrophobicContact CB-CD 3.85Å; W111-K263 HydrophobicContact CD2-CB 4.13Å; W111-K263 HydrophobicContact CD2-CD 3.84Å; W111-K263 HydrophobicContact CD2-CG 3.83Å; W111-K263 HydrophobicContact CE3-CB 3.63Å; W111-K263 HydrophobicContact CE3-CD 3.93Å; W111-K263 HydrophobicContact CE3-CG 3.86Å; W111-K263 HydrophobicContact CG-CD 3.82Å; W111-K263 HydrophobicContact CG-CG 4.24Å; W111-K263 HydrophobicContact CH2-CB 4.17Å; W111-K263 HydrophobicContact CZ3-CB 3.65Å; W111-K263 HydrophobicContact CZ3-CG 4.27Å; W111-H266 AromaticContact CE2-ND1 3.77Å; W111-H266 HydrophobicContact CH2-CB 4.22Å; W111-H266 HydrophobicContact CZ2-CB 3.67Å; W111-H266 AromaticContact CZ2-CG 3.65Å; W111-H266 AromaticContact CZ2-ND1 3.74Å; W111-H266 AromaticContact NE1-CE1 3.56Å; W111-H266 AromaticContact NE1-ND1 3.42Å; W111-H266 PolarHBondContact NE1-ND1 2.85Å
112	W	96.1	Very high	90.3	Very high	1 Å²	1	76.6 Å²	76.6	0%	0.004	39%	0.386	C	S	.	.	H	α-helix	trans	-62.5	-41.7	-179.1	176.6	71.8	0	0	0	112.2	V108 Q109 M114 L115 T124 P218 K220 A221 L224 P259	V108-W112 WeakPolarHBondContact O-CB 3.48Å; V108-W112 PolarHBondContact O-N 2.95Å; Q109-W112 PolarHBondContact O-N 3.1Å; W112-M114 PolarHBondContact O-N 3.31Å; W112-L115 WeakPolarHBondContact O-CB 3.33Å; W112-L115 WeakPolarHBondContact O-CG 3.38Å; W112-L115 PolarHBondContact O-N 2.96Å; W112-T124 HydrophobicContact CH2-CG2 4.38Å; W112-T124 HydrophobicContact CZ3-CG2 4.08Å; W112-P218 HydrophobicContact CZ2-CB 4.21Å; W112-P218 PolarHBondContact NE1-O 3.23Å; W112-K220 VanDerWaalsContact CZ2-C 3.48Å; W112-A221 HydrophobicContact CH2-CB 3.91Å; W112-A221 HydrophobicContact CZ3-CB 4.24Å; W112-L224 HydrophobicContact CH2-CD1 4.09Å; W112-P259 HydrophobicContact CB-CB 4.2Å; W112-P259 HydrophobicContact CD2-CB 4.28Å; W112-P259 HydrophobicContact CD2-CG 4.25Å; W112-P259 HydrophobicContact CG-CB 3.8Å; W112-P259 HydrophobicContact CG-CG 4.24Å
113	M	92.8	Very high	90.1	Very high	70 Å²	70	80.1 Å²	80.1	35%	0.345	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-24.5	175.7	-72.5	-179.7	178.8	0	0	113.3	Q109 R110 W111	Q109-M113 HydrophobicContact CG-CE 3.7Å; Q109-M113 HydrophobicContact CG-SD 4.28Å; Q109-M113 VanDerWaalsContact O-CG 3.3Å; Q109-M113 WeakPolarHBondContact O-CG 3.1Å; Q109-M113 PolarHBondContact O-N 2.91Å; R110-M113 PolarHBondContact O-N 2.9Å; W111-M113 PolarHBondContact O-N 3.18Å
114	M	93	Very high	89.8	Confident	122 Å²	122	74.6 Å²	74.6	60%	0.601	38%	0.375	S	S	*	.	H	α-helix	trans	-85.8	-10	178.8	-69.4	-59.6	-62.4	0	0	113.9	R110 W111 W112 Q116 P117 R275	R110-M114 VanDerWaalsContact O-CG 3.29Å; R110-M114 WeakPolarHBondContact O-CG 3.37Å; R110-M114 PolarHBondContact O-N 2.89Å; W111-M114 WeakPolarHBondContact O-CB 3.32Å; W111-M114 PolarHBondContact O-N 2.7Å; W112-M114 PolarHBondContact O-N 3.31Å; M114-Q116 PolarHBondContact O-N 3.06Å; M114-P117 HydrophobicContact CE-CG 4.47Å; M114-R275 PolarHBondContact O-NH2 3.46Å
115	L	92.6	Very high	89.5	Confident	5 Å²	5	75.6 Å²	75.6	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-58.7	-49.2	175.7	-61.7	-175.2	0	0	0	111	W111 W112 F262 R275 Y276	W111-L115 HydrophobicContact CD2-CD2 4.3Å; W111-L115 HydrophobicContact CE3-CD2 4.5Å; W111-L115 HydrophobicContact CH2-CD1 3.94Å; W111-L115 HydrophobicContact CH2-CD2 3.91Å; W111-L115 HydrophobicContact CH2-CG 4.4Å; W111-L115 HydrophobicContact CZ2-CD2 3.67Å; W111-L115 HydrophobicContact CZ3-CD1 3.92Å; W111-L115 HydrophobicContact CZ3-CD2 4.32Å; W111-L115 HydrophobicContact CZ3-CG 4.41Å; W111-L115 PolarHBondContact O-N 2.83Å; W112-L115 WeakPolarHBondContact O-CB 3.33Å; W112-L115 WeakPolarHBondContact O-CG 3.38Å; W112-L115 PolarHBondContact O-N 2.96Å; L115-F262 HydrophobicContact CD1-CD1 4.06Å; L115-F262 HydrophobicContact CD1-CE1 3.6Å; L115-F262 HydrophobicContact CD1-CZ 4.03Å; L115-R275 VanDerWaalsContact O-CZ 3.27Å; L115-R275 PolarHBondContact O-NE 3.44Å; L115-R275 VanDerWaalsContact O-NE 3.11Å; L115-R275 PolarHBondContact O-NH2 3.07Å; L115-Y276 HydrophobicContact CB-CD1 4.3Å; L115-Y276 HydrophobicContact CB-CE1 4.44Å; L115-Y276 HydrophobicContact CD2-CD1 3.76Å; L115-Y276 HydrophobicContact CD2-CG 4.11Å
116	Q	91.2	Very high	89.4	Confident	34 Å²	34	76.9 Å²	76.9	16%	0.159	38%	0.382	C	S	.	.	S	Bend	trans	-138.8	86.3	174	-65.7	-175.6	9.2	0	0	109.7	M114 Q118 F219 K220 Y276	M114-Q116 PolarHBondContact O-N 3.06Å; Q116-Q118 PolarHBondContact O-N 3.44Å; Q116-Q118 PolarHBondContact O-NE2 3.44Å; Q116-F219 HydrophobicContact CG-CB 4.42Å; Q116-K220 HydrophobicContact CB-CB 4.23Å; Q116-K220 HydrophobicContact CB-CD 4.23Å; Q116-Y276 PolarHBondContact NE2-OH 3.39Å
117	P	85.6	Confident	89.2	Confident	72 Å²	72	73.1 Å²	73.1	47%	0.468	36%	0.357	S	S	.	.			trans	-53.5	132.5	-174	-26.6	34.6	0	0	0	112.5	M114	M114-P117 HydrophobicContact CE-CG 4.47Å
118	Q	84.6	Confident	89.1	Confident	88 Å²	88	69.6 Å²	69.6	41%	0.411	34%	0.338	S	S	.	.			trans	-112.7	137	177.7	-59	-59.1	-68.3	0	0	109.7	Q116 K120 K220	Q116-Q118 PolarHBondContact O-N 3.44Å; Q116-Q118 PolarHBondContact O-NE2 3.44Å; Q118-K120 PolarHBondContact O-N 3.04Å; Q118-K220 HydrophobicContact CG-CB 4.16Å
119	F	74.5	Confident	89	Confident	226 Å²	226	73.8 Å²	73.8	99%	0.991	36%	0.357	S	S	*	.	S	Bend	trans	-68.3	-22.9	179	-64.7	-75.2	0	0	0	113.4
120	K	79.4	Confident	88.9	Confident	151 Å²	151	76 Å²	76	66%	0.657	37%	0.366	S	S	*	.	S	Bend	trans	-106	114.8	178.5	-172	171.3	178.8	177.7	0	109.7	Q118	Q118-K120 PolarHBondContact O-N 3.04Å
121	S	72.6	Confident	89	Confident	109 Å²	109	68.2 Å²	68.2	76%	0.762	34%	0.336	S	S	*	.			trans	-66.4	136.6	169.4	-174.7	0	0	0	0	109.9
122	Q	80.4	Confident	89.1	Confident	59 Å²	59	66.6 Å²	66.6	28%	0.276	33%	0.33	S	S	.	.			trans	-125.7	137.9	178.2	-62.6	-70.8	-13	0	0	108.3	T124 A221 L225	Q122-T124 PolarHBondContact O-N 2.66Å; Q122-T124 VanDerWaalsContact O-N 3.1Å; Q122-A221 HydrophobicContact CB-CB 4.27Å; Q122-L225 HydrophobicContact CG-CD1 4.2Å
123	N	88	Confident	89.1	Confident	97 Å²	97	74 Å²	74	52%	0.519	37%	0.365	S	S	.	.			trans	-71.3	106.8	169.3	-173.8	-23.3	0	0	0	108.6	N125 E126 V127	N123-N125 VanDerWaalsContact C-N 3.31Å; N123-N125 PolarHBondContact O-N 3.32Å; N123-N125 PolarHBondContact OD1-N 3.4Å; N123-E126 HydrophobicContact CB-CB 4.03Å; N123-E126 PolarHBondContact O-N 3.11Å; N123-E126 PolarHBondContact OD1-N 3Å; N123-V127 WeakPolarHBondContact O-CG2 3.29Å; N123-V127 PolarHBondContact O-N 2.99Å; N123-V127 VanDerWaalsContact O-N 3.16Å
124	T	88.9	Confident	89.3	Confident	2 Å²	2	72.7 Å²	72.7	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-64.6	-36.7	-173.3	-54.9	0	0	0	0	111.9	W97 W112 Q122 V127 L128 L224	W97-T124 HydrophobicContact CH2-CG2 3.44Å; W97-T124 VanDerWaalsContact CH2-CG2 3.44Å; W97-T124 HydrophobicContact CZ2-CG2 3.98Å; W97-T124 HydrophobicContact CZ3-CG2 4.41Å; W112-T124 HydrophobicContact CH2-CG2 4.38Å; W112-T124 HydrophobicContact CZ3-CG2 4.08Å; Q122-T124 PolarHBondContact O-N 2.66Å; Q122-T124 VanDerWaalsContact O-N 3.1Å; T124-V127 PolarHBondContact O-N 3.09Å; T124-L128 HydrophobicContact CG2-CD1 4.14Å; T124-L128 WeakPolarHBondContact O-CG 3.39Å; T124-L128 PolarHBondContact O-N 2.5Å; T124-L224 HydrophobicContact CG2-CD1 4.26Å
125	N	90.3	Very high	89.5	Confident	44 Å²	44	67 Å²	67	24%	0.235	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-45	179.3	-70.1	7.7	0	0	0	111.1	D103 N123 V127 L128 E129	D103-N125 PolarHBondContact OD1-ND2 3.26Å; N123-N125 VanDerWaalsContact C-N 3.31Å; N123-N125 PolarHBondContact O-N 3.32Å; N123-N125 PolarHBondContact OD1-N 3.4Å; N125-V127 VanDerWaalsContact C-N 3.26Å; N125-V127 PolarHBondContact O-N 3Å; N125-L128 PolarHBondContact O-N 3.07Å; N125-L128 VanDerWaalsContact O-N 3.12Å; N125-E129 WeakPolarHBondContact O-CG 3.21Å; N125-E129 PolarHBondContact O-N 2.86Å
126	E	92.1	Very high	89.7	Confident	89 Å²	89	68.7 Å²	68.7	42%	0.416	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-38.6	176.5	-168.8	-165.4	151.9	0	0	111.7	N123 K130	N123-E126 HydrophobicContact CB-CB 4.03Å; N123-E126 PolarHBondContact O-N 3.11Å; N123-E126 PolarHBondContact OD1-N 3Å; E126-K130 WeakPolarHBondContact O-CG 3.21Å; E126-K130 PolarHBondContact O-N 2.92Å; E126-K130 IonicContact OE1-NZ 3.36Å; E126-K130 PolarHBondContact OE1-NZ 3.15Å
127	V	92.3	Very high	90	Very high	13 Å²	13	67.4 Å²	67.4	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-43.5	175.5	173	0	0	0	0	111	N123 T124 N125 L131 L224 L225	N123-V127 WeakPolarHBondContact O-CG2 3.29Å; N123-V127 PolarHBondContact O-N 2.99Å; N123-V127 VanDerWaalsContact O-N 3.16Å; T124-V127 PolarHBondContact O-N 3.09Å; N125-V127 VanDerWaalsContact C-N 3.26Å; N125-V127 PolarHBondContact O-N 3Å; V127-L131 VanDerWaalsContact O-CB 3.31Å; V127-L131 WeakPolarHBondContact O-CB 3.46Å; V127-L131 PolarHBondContact O-N 3.11Å; V127-L224 HydrophobicContact CG1-CB 3.63Å; V127-L224 HydrophobicContact CG1-CD1 4.27Å; V127-L225 HydrophobicContact CB-CD2 4.5Å; V127-L225 HydrophobicContact CG1-CD2 3.91Å; V127-L225 HydrophobicContact CG1-CG 4.14Å; V127-L225 HydrophobicContact CG2-CD2 3.77Å; V127-L225 HydrophobicContact CG2-CG 4.28Å
128	L	94.8	Very high	90.4	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68.4	-41.6	178.6	-72.6	167.6	0	0	0	112.7	W97 M102 T124 N125 K130 L131 F132 L224	W97-L128 HydrophobicContact CD2-CD1 3.88Å; W97-L128 HydrophobicContact CD2-CD2 4.08Å; W97-L128 VanDerWaalsContact CE2-CD1 3.42Å; W97-L128 HydrophobicContact CE3-CD1 4.16Å; W97-L128 HydrophobicContact CE3-CD2 3.83Å; W97-L128 HydrophobicContact CH2-CD1 3.66Å; W97-L128 HydrophobicContact CH2-CD2 4.47Å; W97-L128 HydrophobicContact CH2-CG 4.44Å; W97-L128 HydrophobicContact CZ2-CD1 3.3Å; W97-L128 HydrophobicContact CZ2-CG 4.47Å; W97-L128 HydrophobicContact CZ3-CD1 4.07Å; W97-L128 HydrophobicContact CZ3-CD2 4.05Å; W97-L128 HydrophobicContact CZ3-CG 4.5Å; M102-L128 HydrophobicContact CB-CD1 4Å; T124-L128 HydrophobicContact CG2-CD1 4.14Å; T124-L128 WeakPolarHBondContact O-CG 3.39Å; T124-L128 PolarHBondContact O-N 2.5Å; N125-L128 PolarHBondContact O-N 3.07Å; N125-L128 VanDerWaalsContact O-N 3.12Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 3.33Å; L128-L131 HydrophobicContact CD2-CD2 4.45Å; L128-L131 PolarHBondContact O-N 3.23Å; L128-L131 VanDerWaalsContact O-N 3.14Å; L128-F132 HydrophobicContact CB-CD2 4.26Å; L128-F132 HydrophobicContact CB-CE2 3.95Å; L128-F132 HydrophobicContact CD2-CE2 4.17Å; L128-F132 HydrophobicContact CD2-CZ 3.98Å; L128-F132 WeakPolarHBondContact O-CB 3.42Å; L128-F132 WeakPolarHBondContact O-CD2 3.45Å; L128-F132 VanDerWaalsContact O-CG 3.31Å; L128-F132 WeakPolarHBondContact O-CG 3.4Å; L128-F132 PolarHBondContact O-N 2.76Å; L128-L224 HydrophobicContact CD2-CD1 4.05Å; L128-L224 HydrophobicContact CD2-CD2 4.3Å; L128-L224 HydrophobicContact CG-CD1 4.34Å
129	E	94.6	Very high	91	Very high	100 Å²	100	69 Å²	69	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-56.1	-45.9	175.8	-76.8	176.1	175	0	0	111.2	M102 N125 Q133	M102-E129 HydrophobicContact CE-CG 4.41Å; M102-E129 HydrophobicContact SD-CG 4.22Å; N125-E129 WeakPolarHBondContact O-CG 3.21Å; N125-E129 PolarHBondContact O-N 2.86Å; E129-Q133 WeakPolarHBondContact O-CG 3.19Å; E129-Q133 PolarHBondContact O-N 3.11Å
130	K	93.7	Very high	91.9	Very high	110 Å²	110	62 Å²	62	48%	0.478	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-43	174.8	-71.9	171.2	177	170.1	0	111.9	E126 L128 F132 Q133	E126-K130 WeakPolarHBondContact O-CG 3.21Å; E126-K130 PolarHBondContact O-N 2.92Å; E126-K130 IonicContact OE1-NZ 3.36Å; E126-K130 PolarHBondContact OE1-NZ 3.15Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 3.33Å; K130-F132 PolarHBondContact O-N 3.42Å; K130-Q133 WeakPolarHBondContact O-CB 3.23Å; K130-Q133 PolarHBondContact O-N 2.85Å
131	L	96.4	Very high	92.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.9	-43.3	179	176.4	55.4	0	0	0	111.6	V127 L128 Q133 I134 V135 L224 I227 A228 I256	V127-L131 VanDerWaalsContact O-CB 3.31Å; V127-L131 WeakPolarHBondContact O-CB 3.46Å; V127-L131 PolarHBondContact O-N 3.11Å; L128-L131 HydrophobicContact CD2-CD2 4.45Å; L128-L131 PolarHBondContact O-N 3.23Å; L128-L131 VanDerWaalsContact O-N 3.14Å; L131-Q133 PolarHBondContact O-N 2.78Å; L131-I134 WeakPolarHBondContact O-CA 3.47Å; L131-I134 WeakPolarHBondContact O-CB 3.2Å; L131-I134 PolarHBondContact O-N 2.94Å; L131-V135 HydrophobicContact CD1-CG1 4.45Å; L131-V135 HydrophobicContact CD1-CG2 4.16Å; L131-V135 HydrophobicContact CG-CG2 4.12Å; L131-V135 PolarHBondContact O-N 2.96Å; L131-V135 VanDerWaalsContact O-N 3.12Å; L131-L224 HydrophobicContact CD2-CB 4.45Å; L131-L224 HydrophobicContact CD2-CD2 4.17Å; L131-I227 HydrophobicContact CD1-CG2 3.67Å; L131-I227 HydrophobicContact CD2-CG2 3.84Å; L131-I227 HydrophobicContact CG-CG2 4.44Å; L131-A228 HydrophobicContact CD1-CB 4.18Å; L131-I256 HydrophobicContact CD2-CD1 3.81Å; L131-I256 HydrophobicContact CD2-CG1 4.05Å
132	F	97.3	Very high	93.1	Very high	6 Å²	6	58.8 Å²	58.8	3%	0.026	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.6	-179.9	-61.8	-41.2	0	0	0	113.4	W97 R99 M102 L128 K130 V135 I256	W97-F132 WeakPolarHBondContact O-CZ 3.35Å; R99-F132 HydrophobicContact CG-CB 4.2Å; R99-F132 HydrophobicContact CG-CD2 3.68Å; R99-F132 HydrophobicContact CG-CE2 4.29Å; R99-F132 HydrophobicContact CG-CG 4.12Å; R99-F132 PolarHBondContact NH2-O 3.48Å; M102-F132 HydrophobicContact CE-CD2 4.15Å; M102-F132 HydrophobicContact CE-CE2 4.25Å; L128-F132 HydrophobicContact CB-CD2 4.26Å; L128-F132 HydrophobicContact CB-CE2 3.95Å; L128-F132 HydrophobicContact CD2-CE2 4.17Å; L128-F132 HydrophobicContact CD2-CZ 3.98Å; L128-F132 WeakPolarHBondContact O-CB 3.42Å; L128-F132 WeakPolarHBondContact O-CD2 3.45Å; L128-F132 VanDerWaalsContact O-CG 3.31Å; L128-F132 WeakPolarHBondContact O-CG 3.4Å; L128-F132 PolarHBondContact O-N 2.76Å; K130-F132 PolarHBondContact O-N 3.42Å; F132-V135 CarbonylContact C-O 3.32Å; F132-V135 VanDerWaalsContact C-O 3.29Å; F132-V135 VanDerWaalsContact CA-O 3.27Å; F132-V135 WeakPolarHBondContact CA-O 3.26Å; F132-V135 HydrophobicContact CD1-CG2 4Å; F132-I256 HydrophobicContact CE1-CG1 4.1Å
133	Q	96.4	Very high	93.1	Very high	156 Å²	156	63.5 Å²	63.5	73%	0.729	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-16	164.5	-65.3	170.9	10.7	0	0	112.4	E129 K130 L131	E129-Q133 WeakPolarHBondContact O-CG 3.19Å; E129-Q133 PolarHBondContact O-N 3.11Å; K130-Q133 WeakPolarHBondContact O-CB 3.23Å; K130-Q133 PolarHBondContact O-N 2.85Å; L131-Q133 PolarHBondContact O-N 2.78Å
134	I	97	Very high	92.6	Very high	43 Å²	43	63.4 Å²	63.4	22%	0.221	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-30	-178.2	-55.4	169.7	0	0	0	111.5	L131 A228 L231 K251	L131-I134 WeakPolarHBondContact O-CA 3.47Å; L131-I134 WeakPolarHBondContact O-CB 3.2Å; L131-I134 PolarHBondContact O-N 2.94Å; I134-A228 HydrophobicContact CD1-CB 4.02Å; I134-L231 HydrophobicContact CG2-CB 3.91Å; I134-L231 HydrophobicContact CG2-CD1 4.15Å; I134-K251 HydrophobicContact CG2-CD 4.28Å
135	V	97.8	Very high	92.2	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.024	31%	0.308	C	S	.	.	S	Bend	trans	-132.9	157.2	-177.5	-52.6	0	0	0	0	110.2	L131 F132 G137 L231 V254	L131-V135 HydrophobicContact CD1-CG1 4.45Å; L131-V135 HydrophobicContact CD1-CG2 4.16Å; L131-V135 HydrophobicContact CG-CG2 4.12Å; L131-V135 PolarHBondContact O-N 2.96Å; L131-V135 VanDerWaalsContact O-N 3.12Å; F132-V135 CarbonylContact C-O 3.32Å; F132-V135 VanDerWaalsContact C-O 3.29Å; F132-V135 VanDerWaalsContact CA-O 3.27Å; F132-V135 WeakPolarHBondContact CA-O 3.26Å; F132-V135 HydrophobicContact CD1-CG2 4Å; V135-G137 PolarHBondContact O-N 3.04Å; V135-L231 HydrophobicContact CG1-CD1 3.74Å; V135-V254 HydrophobicContact CB-CB 4.04Å; V135-V254 HydrophobicContact CB-CG1 4.39Å; V135-V254 HydrophobicContact CG1-CB 3.69Å; V135-V254 HydrophobicContact CG1-CG1 3.92Å; V135-V254 HydrophobicContact CG1-CG2 4.17Å
136	P	96.7	Very high	91.5	Very high	40 Å²	40	67 Å²	67	26%	0.26	32%	0.32	S	S	.	.			trans	-55.3	-43.6	-166	-29.4	34.8	0	0	0	115.9	E138 K251 E252	P136-E138 VanDerWaalsContact C-N 3.32Å; P136-K251 WeakPolarHBondContact CD-O 3.43Å; P136-E252 WeakPolarHBondContact CG-O 3.35Å
137	G	96.1	Very high	90.9	Very high	7 Å²	7	70 Å²	70	7%	0.072	33%	0.334	C	S	.	.			trans	70	26.8	-177.7	0	0	0	0	0	114.4	T98 R99 V135	T98-G137 CarbonylContact C-O 3.56Å; T98-G137 VanDerWaalsContact CA-O 3.28Å; T98-G137 WeakPolarHBondContact CA-O 3.23Å; T98-G137 WeakPolarHBondContact CB-O 3.43Å; R99-G137 PolarHBondContact N-O 2.65Å; V135-G137 PolarHBondContact O-N 3.04Å
138	E	95.6	Very high	90.6	Very high	149 Å²	149	75.2 Å²	75.2	70%	0.696	36%	0.357	S	S	*	.	S	Bend	trans	-119.2	164	179.5	-64.5	178.9	-175.1	0	0	111.2	P136 P140	P136-E138 VanDerWaalsContact C-N 3.32Å; E138-P140 VanDerWaalsContact O-CD 3.25Å; E138-P140 WeakPolarHBondContact O-CD 3.49Å
139	N	95.3	Very high	90.5	Very high	45 Å²	45	76.9 Å²	76.9	24%	0.241	37%	0.369	C	S	.	.			trans	-94.9	104.3	176.3	-176.9	-6.2	0	0	0	110.9	V96 T98 Y141 R142	V96-N139 HydrophobicContact CG2-CB 3.64Å; V96-N139 WeakPolarHBondContact CG2-OD1 3.28Å; T98-N139 HydrophobicContact CG2-CB 3.99Å; N139-Y141 PolarHBondContact O-N 2.93Å; N139-Y141 WeakPolarHBondContact OD1-CA 2.93Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.47Å; N139-Y141 WeakPolarHBondContact OD1-CD2 3.3Å; N139-Y141 PolarHBondContact OD1-N 3.17Å; N139-R142 HydrophobicContact CB-CB 4.48Å; N139-R142 PolarHBondContact O-N 2.91Å
140	P	94.4	Very high	90.5	Very high	77 Å²	77	74.3 Å²	74.3	50%	0.5	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-5.8	-179	32.5	-36.4	0	0	0	113.3	E138 Q255	E138-P140 VanDerWaalsContact O-CD 3.25Å; E138-P140 WeakPolarHBondContact O-CD 3.49Å; P140-Q255 HydrophobicContact CG-CG 4.16Å
141	Y	93.1	Very high	90.7	Very high	14 Å²	14	73.3 Å²	73.3	6%	0.055	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	2.9	-178	-43.7	-71.1	0	0	0	113.4	V96 N139 F143 F175 H197 F286 V290	V96-Y141 HydrophobicContact CG1-CD2 4.24Å; V96-Y141 HydrophobicContact CG1-CE2 3.85Å; N139-Y141 PolarHBondContact O-N 2.93Å; N139-Y141 WeakPolarHBondContact OD1-CA 2.93Å; N139-Y141 WeakPolarHBondContact OD1-CB 3.47Å; N139-Y141 WeakPolarHBondContact OD1-CD2 3.3Å; N139-Y141 PolarHBondContact OD1-N 3.17Å; Y141-F143 VanDerWaalsContact C-N 3.28Å; Y141-F143 PolarHBondContact O-N 3.4Å; Y141-F175 HydrophobicContact CD1-CE2 4.11Å; Y141-F175 AromaticContact CE1-CE2 3.9Å; Y141-F175 HydrophobicContact CE1-CE2 3.9Å; Y141-F175 HydrophobicContact CE1-CZ 4.38Å; Y141-H197 AromaticContact CE1-NE2 3.62Å; Y141-H197 AromaticContact CZ-NE2 3.67Å; Y141-H197 PolarHBondContact OH-CD2 3.21Å; Y141-H197 PolarHBondContact OH-NE2 3.37Å; Y141-F286 HydrophobicContact CD2-CZ 4.24Å; Y141-F286 AromaticContact CE2-CE1 3.99Å; Y141-F286 HydrophobicContact CE2-CE1 3.99Å; Y141-F286 HydrophobicContact CE2-CE2 4.41Å; Y141-F286 AromaticContact CE2-CZ 3.41Å; Y141-F286 HydrophobicContact CE2-CZ 3.41Å; Y141-F286 VanDerWaalsContact CE2-CZ 3.41Å; Y141-F286 AromaticContact CZ-CE1 3.93Å; Y141-F286 AromaticContact CZ-CZ 3.72Å; Y141-V290 HydrophobicContact CD1-CB 4.07Å; Y141-V290 HydrophobicContact CD1-CG1 4.18Å; Y141-V290 HydrophobicContact CD2-CG1 3.77Å; Y141-V290 HydrophobicContact CE2-CG1 4.35Å; Y141-V290 HydrophobicContact CG-CB 4.02Å; Y141-V290 HydrophobicContact CG-CG1 3.67Å
142	R	84	Confident	90.8	Very high	179 Å²	179	73.3 Å²	73.3	68%	0.675	35%	0.348	S	S	*	.	S	Bend	trans	-59.1	-38.6	-177.7	-171.8	177.7	-175	154.4	2.9	112.3	E100 N139	E100-R142 IonicContact OE1-NH1 3.71Å; E100-R142 PolarHBondContact OE1-NH1 3.09Å; E100-R142 VanDerWaalsContact OE1-NH1 3.13Å; E100-R142 IonicContact OE2-NH1 2.64Å; E100-R142 PolarHBondContact OE2-NH1 2.88Å; N139-R142 HydrophobicContact CB-CB 4.48Å; N139-R142 PolarHBondContact O-N 2.91Å
143	F	79.8	Confident	90.8	Very high	159 Å²	159	73 Å²	73	70%	0.697	35%	0.347	S	S	*	.			trans	-90.6	122.2	174.8	-173.6	-100	0	0	0	110.3	Y141 D145	Y141-F143 VanDerWaalsContact C-N 3.28Å; Y141-F143 PolarHBondContact O-N 3.4Å; F143-D145 HydrophobicContact CE1-CB 3.99Å
144	R	78.7	Confident	91	Very high	95 Å²	95	65.6 Å²	65.6	36%	0.358	31%	0.312	S	S	.	.			trans	-115.8	123	166.1	-62.7	-169.1	-166	177.3	9.5	107.6	P146 H289	R144-P146 VanDerWaalsContact O-CD 3.26Å; R144-P146 WeakPolarHBondContact O-CD 3.37Å; R144-H289 VanDerWaalsContact NH2-C 3.34Å; R144-H289 PolarHBondContact NH2-O 3.5Å
145	D	79.5	Confident	91.1	Very high	45 Å²	45	63.6 Å²	63.6	24%	0.241	30%	0.302	C	S	.	.			trans	-75.1	111.6	172.1	-178.4	-3.1	0	0	0	108.2	F143 H147 Q148	F143-D145 HydrophobicContact CE1-CB 3.99Å; D145-H147 PolarHBondContact O-N 3.41Å; D145-H147 VanDerWaalsContact O-N 3.11Å; D145-H147 WeakPolarHBondContact OD1-CB 3.42Å; D145-H147 IonicContact OD1-CD2 3.45Å; D145-H147 PolarHBondContact OD1-CD2 3.04Å; D145-H147 IonicContact OD1-CG 3.73Å; D145-H147 PolarHBondContact OD1-N 3.16Å; D145-Q148 HydrophobicContact CB-CB 4.26Å; D145-Q148 HydrophobicContact CB-CG 4.2Å; D145-Q148 PolarHBondContact O-N 2.77Å; D145-Q148 WeakPolarHBondContact OD2-CG 3.23Å; D145-Q148 PolarHBondContact OD2-NE2 3.2Å
146	P	75.9	Confident	91	Very high	75 Å²	75	63.6 Å²	63.6	49%	0.487	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.7	-179.6	29	-35.7	0	0	0	112.6	T71 R144	T71-P146 WeakPolarHBondContact CG2-O 3.02Å; R144-P146 VanDerWaalsContact O-CD 3.26Å; R144-P146 WeakPolarHBondContact O-CD 3.37Å
147	H	80.6	Confident	91	Very high	152 Å²	152	62.3 Å²	62.3	70%	0.704	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.5	176.5	-58.9	-66.8	0	0	0	113.7	T71 D145	T71-H147 PolarHBondContact OG1-O 2.8Å; D145-H147 PolarHBondContact O-N 3.41Å; D145-H147 VanDerWaalsContact O-N 3.11Å; D145-H147 WeakPolarHBondContact OD1-CB 3.42Å; D145-H147 IonicContact OD1-CD2 3.45Å; D145-H147 PolarHBondContact OD1-CD2 3.04Å; D145-H147 IonicContact OD1-CG 3.73Å; D145-H147 PolarHBondContact OD1-N 3.16Å
148	Q	85.4	Confident	90.9	Very high	123 Å²	123	62.5 Å²	62.5	58%	0.575	29%	0.294	S	S	*	.	S	Bend	trans	-111.7	152	177.7	-67.4	179.9	35	0	0	111.1	T71 D145	T71-Q148 PolarHBondContact OG1-O 2.59Å; D145-Q148 HydrophobicContact CB-CB 4.26Å; D145-Q148 HydrophobicContact CB-CG 4.2Å; D145-Q148 PolarHBondContact O-N 2.77Å; D145-Q148 WeakPolarHBondContact OD2-CG 3.23Å; D145-Q148 PolarHBondContact OD2-NE2 3.2Å
149	C	92.1	Very high	90.8	Very high	35 Å²	35	55.7 Å²	55.7	24%	0.236	26%	0.263	C	S	.	.			trans	-107.2	105.1	173.7	171.3	0	0	0	0	107.8	T71 C72 R151 N174	T71-C149 PolarHBondContact OG1-N 2.76Å; C72-C149 WeakPolarHBondContact CA-SG 3.15Å; C72-C149 HydrophobicContact CB-CB 4.01Å; C72-C149 WeakPolarHBondContact CB-SG 3.33Å; C72-C149 WeakPolarHBondContact SG-CA 3.19Å; C72-C149 WeakPolarHBondContact SG-CB 3.46Å; C72-C149 CovalentContact SG-SG 2.02Å; C72-C149 PolarHBondContact SG-SG 2.73Å; C149-R151 PolarHBondContact O-N 3.14Å; C149-R151 VanDerWaalsContact SG-CG 3.51Å; C149-N174 PolarHBondContact O-OD1 2.95Å; C149-N174 VanDerWaalsContact O-OD1 3.14Å
150	R	94.9	Very high	90.7	Very high	46 Å²	46	53.7 Å²	53.7	17%	0.174	25%	0.252	C	S	.	.			trans	-86.1	98.2	178	-174.4	-174.7	-71.2	169.7	2.2	109.9	N174 F175 V290 D292 E293	R150-N174 HydrophobicContact CG-CB 4.49Å; R150-F175 HydrophobicContact CG-CD2 4.39Å; R150-F175 HydrophobicContact CG-CE2 4.4Å; R150-V290 WeakPolarHBondContact CD-O 3.18Å; R150-V290 PolarHBondContact NH1-O 2.91Å; R150-D292 WeakPolarHBondContact CB-OD2 3.4Å; R150-D292 PolarHBondContact N-OD2 3.38Å; R150-D292 PolarHBondContact O-N 3.14Å; R150-E293 PolarHBondContact O-N 2.94Å
151	R	97.2	Very high	90.8	Very high	89 Å²	89	50.1 Å²	50.1	34%	0.336	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	132.6	176.2	-53.4	179.7	72	-151.2	-3.1	110.3	C149 N174 F175 E293	C149-R151 PolarHBondContact O-N 3.14Å; C149-R151 VanDerWaalsContact SG-CG 3.51Å; R151-N174 PolarHBondContact N-OD1 2.88Å; R151-N174 WeakPolarHBondContact O-CB 3.33Å; R151-N174 PolarHBondContact O-N 2.83Å; R151-F175 PolarHBondContact O-N 2.9Å; R151-E293 HydrophobicContact CG-CB 4.26Å; R151-E293 IonicContact CZ-OE1 2.77Å; R151-E293 VanDerWaalsContact CZ-OE1 3.23Å; R151-E293 IonicContact NE-OE1 3.59Å; R151-E293 PolarHBondContact NE-OE1 3.48Å; R151-E293 IonicContact NH2-OE1 3.2Å; R151-E293 PolarHBondContact NH2-OE1 3.42Å
152	C	98.5	Very high	90.9	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.3	-176.2	-64.1	0	0	0	0	112.3	H173 F175 C291 E293 V294 N295	C152-H173 VanDerWaalsContact C-CD2 3.42Å; C152-F175 CarbonylContact C-O 3.58Å; C152-F175 VanDerWaalsContact CA-O 3.28Å; C152-F175 WeakPolarHBondContact CA-O 3.49Å; C152-F175 HydrophobicContact CB-CB 4.39Å; C152-C291 HydrophobicContact CB-CB 3.67Å; C152-C291 WeakPolarHBondContact CB-SG 3.47Å; C152-C291 WeakPolarHBondContact SG-CB 3.34Å; C152-C291 CovalentContact SG-SG 2Å; C152-C291 PolarHBondContact SG-SG 3.38Å; C152-E293 PolarHBondContact N-O 3.28Å; C152-V294 HydrophobicContact CB-CG2 4.42Å; C152-V294 WeakPolarHBondContact O-CA 3.12Å; C152-N295 PolarHBondContact O-N 2.8Å
153	A	98.9	Very high	91.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.9	167.2	0	0	0	0	0	109.5	V155 V170 H173 F175 I176 M177 N295 Y297	A153-V155 HydrophobicContact CB-CG2 4.44Å; A153-V170 HydrophobicContact CB-CG1 4.16Å; A153-H173 HydrophobicContact CB-CB 3.97Å; A153-H173 PolarHBondContact N-CD2 3.41Å; A153-F175 PolarHBondContact N-O 3.31Å; A153-I176 HydrophobicContact CB-CG1 4.43Å; A153-I176 WeakPolarHBondContact O-CA 3.47Å; A153-M177 PolarHBondContact O-N 3.33Å; A153-N295 CarbonylContact C-O 3.56Å; A153-N295 WeakPolarHBondContact CA-O 3.25Å; A153-Y297 HydrophobicContact CB-CD2 4.16Å; A153-Y297 HydrophobicContact CB-CE2 3.74Å
154	V	98.9	Very high	92.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.2	169.5	-175.7	0	0	0	0	107.5	M179 V283 L284 A287 V294 N295 Y297 F299	V154-M179 HydrophobicContact CG1-CE 4.25Å; V154-V283 HydrophobicContact CG1-CB 4.34Å; V154-V283 HydrophobicContact CG1-CG1 3.81Å; V154-L284 HydrophobicContact CG2-CD1 4.39Å; V154-A287 HydrophobicContact CG2-CB 3.45Å; V154-A287 VanDerWaalsContact CG2-CB 3.45Å; V154-V294 HydrophobicContact CG2-CG1 3.87Å; V154-N295 PolarHBondContact N-O 3.48Å; V154-Y297 PolarHBondContact O-N 3.22Å; V154-F299 HydrophobicContact CB-CE2 4.49Å; V154-F299 HydrophobicContact CG1-CE2 3.74Å; V154-F299 HydrophobicContact CG1-CZ 3.67Å
155	V	98.8	Very high	93.1	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	104.7	-176.4	-169.2	0	0	0	0	109.1	A153 L161 V170 I176 M177 R178 Y297	A153-V155 HydrophobicContact CB-CG2 4.44Å; V155-L161 HydrophobicContact CG1-CD1 3.93Å; V155-V170 HydrophobicContact CG2-CG1 3.74Å; V155-V170 HydrophobicContact CG2-CG2 4.28Å; V155-I176 HydrophobicContact CG2-CG2 4.28Å; V155-M177 PolarHBondContact N-O 3.24Å; V155-R178 HydrophobicContact CB-CG 4.33Å; V155-Y297 WeakPolarHBondContact CA-O 3.42Å; V155-Y297 HydrophobicContact CG2-CD2 4.49Å
156	G	97.8	Very high	94.1	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	21%	0.207	C	C	.	.			trans	-74.9	-169.9	170.3	0	0	0	0	0	112	L161 Y297 G298	G156-L161 WeakPolarHBondContact O-CD1 3.45Å; G156-Y297 PolarHBondContact N-O 2.65Å; G156-G298 CarbonylContact C-O 3.55Å; G156-G298 WeakPolarHBondContact CA-O 3.49Å
157	N	96.1	Very high	95.1	Very high	14 Å²	14	34 Å²	34	8%	0.075	19%	0.185	C	C	.	.			trans	-112.3	2.9	-168.2	-65.1	-15.2	0	0	0	113.7	A182 G298 H309 Y310 W311	N157-A182 WeakPolarHBondContact OD1-CB 3.43Å; N157-G298 PolarHBondContact N-O 3.2Å; N157-H309 VanDerWaalsContact O-CA 3.23Å; N157-H309 WeakPolarHBondContact O-CA 3.02Å; N157-Y310 WeakPolarHBondContact O-CD1 3.4Å; N157-Y310 PolarHBondContact O-N 3.33Å; N157-Y310 VanDerWaalsContact O-N 3.1Å; N157-W311 HydrophobicContact CB-CH2 3.65Å; N157-W311 HydrophobicContact CB-CZ3 3.58Å
158	S	93.8	Very high	96	Very high	11 Å²	11	35.3 Å²	35.3	8%	0.077	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-61	142.8	-175	-175.4	0	0	0	0	112.9	N160 L161 G298 G300 H308	S158-N160 PolarHBondContact O-N 2.92Å; S158-N160 VanDerWaalsContact O-N 3.15Å; S158-N160 PolarHBondContact OG-N 3.03Å; S158-N160 PolarHBondContact OG-ND2 3.11Å; S158-L161 PolarHBondContact O-N 3.37Å; S158-G298 VanDerWaalsContact CB-C 3.46Å; S158-G298 WeakPolarHBondContact CB-O 3.48Å; S158-G298 PolarHBondContact N-O 3.27Å; S158-G300 WeakPolarHBondContact CB-O 3.36Å; S158-G300 PolarHBondContact OG-O 2.82Å; S158-H308 CarbonylContact C-O 3.55Å
159	G	93.1	Very high	96.6	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-60.8	-15.2	172.8	0	0	0	0	0	114.6	L161 R162 H308	G159-L161 PolarHBondContact O-N 2.64Å; G159-L161 VanDerWaalsContact O-N 3.11Å; G159-R162 WeakPolarHBondContact O-CB 3.35Å; G159-R162 PolarHBondContact O-N 3.13Å; G159-H308 PolarHBondContact N-O 3.44Å
160	N	93.5	Very high	96.9	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.016	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-61.2	-16.5	173.5	72.5	15.7	0	0	0	113.3	S158 R162 G298 F299 A301 D302 R348 G349 N350	S158-N160 PolarHBondContact O-N 2.92Å; S158-N160 VanDerWaalsContact O-N 3.15Å; S158-N160 PolarHBondContact OG-N 3.03Å; S158-N160 PolarHBondContact OG-ND2 3.11Å; N160-R162 VanDerWaalsContact C-N 3.25Å; N160-R162 PolarHBondContact O-N 3.34Å; N160-G298 VanDerWaalsContact OD1-CA 3.3Å; N160-G298 WeakPolarHBondContact OD1-CA 3.3Å; N160-F299 PolarHBondContact ND2-O 3.48Å; N160-A301 PolarHBondContact ND2-O 2.93Å; N160-D302 HydrophobicContact CB-CB 4.29Å; N160-R348 PolarHBondContact ND2-O 3.07Å; N160-G349 CarbonylContact O-C 3.14Å; N160-G349 VanDerWaalsContact O-CA 3.24Å; N160-G349 WeakPolarHBondContact O-CA 3.35Å; N160-N350 PolarHBondContact O-N 3Å
161	L	96.8	Very high	97.1	Very high	2 Å²	2	30 Å²	30	1%	0.01	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-67.8	-23.2	172.5	-69.4	173.8	0	0	0	112.9	V155 G156 S158 G159 G163 S164 Y166 D190 V191 Y310	V155-L161 HydrophobicContact CG1-CD1 3.93Å; G156-L161 WeakPolarHBondContact O-CD1 3.45Å; S158-L161 PolarHBondContact O-N 3.37Å; G159-L161 PolarHBondContact O-N 2.64Å; G159-L161 VanDerWaalsContact O-N 3.11Å; L161-G163 PolarHBondContact O-N 3.28Å; L161-S164 WeakPolarHBondContact O-CB 3.42Å; L161-S164 PolarHBondContact O-N 2.92Å; L161-S164 VanDerWaalsContact O-N 3.11Å; L161-S164 PolarHBondContact O-OG 3.49Å; L161-Y166 HydrophobicContact CD2-CD2 4.13Å; L161-D190 WeakPolarHBondContact O-CB 3.48Å; L161-V191 HydrophobicContact CB-CG1 4.04Å; L161-V191 HydrophobicContact CD1-CG1 3.82Å; L161-V191 HydrophobicContact CG-CG1 4.43Å; L161-Y310 HydrophobicContact CB-CG 4.45Å; L161-Y310 HydrophobicContact CD1-CD1 3.68Å; L161-Y310 HydrophobicContact CD1-CE1 4Å; L161-Y310 HydrophobicContact CD1-CG 4.37Å
162	R	94.1	Very high	97.2	Very high	59 Å²	59	28.5 Å²	28.5	22%	0.223	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	125.1	-175.7	-72.6	-177.5	163.3	155	-3.3	112.4	G159 N160 S164 Y310 E312 N350	G159-R162 WeakPolarHBondContact O-CB 3.35Å; G159-R162 PolarHBondContact O-N 3.13Å; N160-R162 VanDerWaalsContact C-N 3.25Å; N160-R162 PolarHBondContact O-N 3.34Å; R162-S164 PolarHBondContact O-N 3.05Å; R162-Y310 PolarHBondContact NE-O 2.95Å; R162-Y310 VanDerWaalsContact NH2-C 3.34Å; R162-Y310 PolarHBondContact NH2-O 3.33Å; R162-E312 VanDerWaalsContact CZ-O 3.23Å; R162-E312 PolarHBondContact NH1-O 2.79Å; R162-E312 VanDerWaalsContact NH2-N 3.19Å; R162-E312 PolarHBondContact NH2-O 3.35Å; R162-N350 PolarHBondContact O-ND2 3.15Å
163	G	95.3	Very high	97.2	Very high	56 Å²	56	28.6 Å²	28.6	58%	0.577	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	15.7	-177.6	0	0	0	0	0	113.9	L161 G165 D190 N350	L161-G163 PolarHBondContact O-N 3.28Å; G163-G165 VanDerWaalsContact C-N 3.34Å; G163-D190 VanDerWaalsContact C-OD1 3.26Å; G163-D190 WeakPolarHBondContact CA-OD1 3.42Å; G163-D190 PolarHBondContact N-OD1 3.21Å; G163-D190 VanDerWaalsContact N-OD1 3.1Å; G163-D190 PolarHBondContact N-OD2 3.22Å; G163-N350 PolarHBondContact O-ND2 3.33Å
164	S	97.1	Very high	97.1	Very high	20 Å²	20	32.4 Å²	32.4	14%	0.14	20%	0.201	C	C	.	.			trans	-74.3	-25.9	-179.5	64.1	0	0	0	0	112.7	L161 R162 Y166 D190 N350	L161-S164 WeakPolarHBondContact O-CB 3.42Å; L161-S164 PolarHBondContact O-N 2.92Å; L161-S164 VanDerWaalsContact O-N 3.11Å; L161-S164 PolarHBondContact O-OG 3.49Å; R162-S164 PolarHBondContact O-N 3.05Å; S164-Y166 VanDerWaalsContact CB-CD2 3.43Å; S164-Y166 PolarHBondContact O-N 3.22Å; S164-Y166 VanDerWaalsContact OG-CD2 3.26Å; S164-Y166 WeakPolarHBondContact OG-CD2 3.16Å; S164-Y166 PolarHBondContact OG-N 3.39Å; S164-D190 PolarHBondContact N-OD1 3.43Å; S164-N350 PolarHBondContact N-ND2 3.11Å
165	G	97.9	Very high	97.1	Very high	42 Å²	42	34.4 Å²	34.4	43%	0.433	21%	0.21	S	C	.	.			trans	66.4	15.7	-176.4	0	0	0	0	0	114.5	G163 G167 Q189 D190	G163-G165 VanDerWaalsContact C-N 3.34Å; G165-G167 PolarHBondContact O-N 2.96Å; G165-Q189 CarbonylContact C-O 3.36Å; G165-Q189 VanDerWaalsContact C-O 3.22Å; G165-Q189 VanDerWaalsContact CA-O 3.29Å; G165-Q189 WeakPolarHBondContact CA-O 3.39Å; G165-D190 PolarHBondContact N-OD1 3Å
166	Y	98.6	Very high	97.1	Very high	51 Å²	51	34.3 Å²	34.3	20%	0.2	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.2	-177.3	-61.5	-33.5	0	0	0	114.4	L161 S164 Q168 D169 V170 D190 Y297 Y347 G349	L161-Y166 HydrophobicContact CD2-CD2 4.13Å; S164-Y166 VanDerWaalsContact CB-CD2 3.43Å; S164-Y166 PolarHBondContact O-N 3.22Å; S164-Y166 VanDerWaalsContact OG-CD2 3.26Å; S164-Y166 WeakPolarHBondContact OG-CD2 3.16Å; S164-Y166 PolarHBondContact OG-N 3.39Å; Y166-Q168 VanDerWaalsContact C-N 3.34Å; Y166-Q168 PolarHBondContact O-N 2.88Å; Y166-D169 PolarHBondContact O-N 3.08Å; Y166-V170 WeakPolarHBondContact O-CG2 3.4Å; Y166-V170 PolarHBondContact O-N 2.69Å; Y166-D190 CarbonylContact C-O 3.57Å; Y166-D190 WeakPolarHBondContact CB-O 3.32Å; Y166-Y297 AromaticContact CD2-CD1 3.78Å; Y166-Y297 HydrophobicContact CD2-CD1 3.78Å; Y166-Y297 HydrophobicContact CD2-CE1 4.5Å; Y166-Y297 HydrophobicContact CE2-CD1 4.45Å; Y166-Y297 AromaticContact CG-CD1 3.99Å; Y166-Y297 HydrophobicContact CG-CD1 3.99Å; Y166-Y297 HydrophobicContact CG-CE1 4.31Å; Y166-Y347 HydrophobicContact CD1-CD1 4.2Å; Y166-Y347 AromaticContact CE1-CD1 3.93Å; Y166-Y347 HydrophobicContact CE1-CD1 3.93Å; Y166-G349 WeakPolarHBondContact OH-CA 3.35Å; Y166-G349 PolarHBondContact OH-N 2.84Å; Y166-G349 VanDerWaalsContact OH-N 3.08Å
167	G	98.6	Very high	97.1	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.021	21%	0.208	C	C	.	.	H	α-helix	trans	-59.2	-39.8	-168	0	0	0	0	0	114.8	G165 D171 E188 Q189 D190 G192	G165-G167 PolarHBondContact O-N 2.96Å; G167-D171 WeakPolarHBondContact O-CB 3.38Å; G167-D171 PolarHBondContact O-N 3.36Å; G167-E188 WeakPolarHBondContact CA-O 3.33Å; G167-Q189 WeakPolarHBondContact CA-O 3.39Å; G167-Q189 PolarHBondContact N-O 3.22Å; G167-D190 PolarHBondContact N-O 3.41Å; G167-G192 WeakPolarHBondContact O-CA 3.33Å
168	Q	98.5	Very high	97.2	Very high	178 Å²	178	33.6 Å²	33.6	83%	0.832	20%	0.204	S	C	*	.	H	α-helix	trans	-67.1	-39.2	177.2	-174.8	178.4	4.4	0	0	112.2	Y166 D171 G172	Y166-Q168 VanDerWaalsContact C-N 3.34Å; Y166-Q168 PolarHBondContact O-N 2.88Å; Q168-D171 PolarHBondContact O-N 3.11Å; Q168-G172 PolarHBondContact O-N 2.84Å
169	D	98.6	Very high	97.5	Very high	61 Å²	61	33.3 Å²	33.3	33%	0.326	20%	0.202	S	C	.	.	H	α-helix	trans	-69.2	-45.1	179.1	-178.5	61.1	0	0	0	111	Y166 D171 G172 H173 Y297	Y166-D169 PolarHBondContact O-N 3.08Å; D169-D171 VanDerWaalsContact C-N 3.33Å; D169-D171 PolarHBondContact O-N 3.23Å; D169-G172 PolarHBondContact O-N 3.24Å; D169-H173 PolarHBondContact O-CE1 2.99Å; D169-H173 VanDerWaalsContact O-CE1 3.23Å; D169-H173 PolarHBondContact O-ND1 2.78Å; D169-Y297 WeakPolarHBondContact OD2-CE1 3.21Å; D169-Y297 PolarHBondContact OD2-OH 3.14Å
170	V	98.8	Very high	97.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-54.9	-49.7	172.4	170.8	0	0	0	0	110.8	A153 V155 Y166 G172 H173 I176 V191 Y297	A153-V170 HydrophobicContact CB-CG1 4.16Å; V155-V170 HydrophobicContact CG2-CG1 3.74Å; V155-V170 HydrophobicContact CG2-CG2 4.28Å; Y166-V170 WeakPolarHBondContact O-CG2 3.4Å; Y166-V170 PolarHBondContact O-N 2.69Å; V170-G172 PolarHBondContact O-N 2.99Å; V170-G172 VanDerWaalsContact O-N 3.12Å; V170-H173 PolarHBondContact O-N 3.45Å; V170-H173 PolarHBondContact O-ND1 2.91Å; V170-I176 HydrophobicContact CG1-CG1 4.47Å; V170-I176 HydrophobicContact CG1-CG2 3.82Å; V170-I176 WeakPolarHBondContact O-CD1 3.37Å; V170-I176 WeakPolarHBondContact O-CG1 3.15Å; V170-V191 WeakPolarHBondContact CG1-O 3.48Å; V170-Y297 HydrophobicContact CG2-CD1 3.86Å; V170-Y297 HydrophobicContact CG2-CD2 3.99Å; V170-Y297 HydrophobicContact CG2-CE1 3.91Å; V170-Y297 HydrophobicContact CG2-CE2 4.06Å; V170-Y297 HydrophobicContact CG2-CG 3.92Å
171	D	98.8	Very high	97.7	Very high	32 Å²	32	39.4 Å²	39.4	17%	0.171	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.7	-179.6	-79	-5.5	0	0	0	113.4	G167 Q168 D169 H173 G192 S193 R194	G167-D171 WeakPolarHBondContact O-CB 3.38Å; G167-D171 PolarHBondContact O-N 3.36Å; Q168-D171 PolarHBondContact O-N 3.11Å; D169-D171 VanDerWaalsContact C-N 3.33Å; D169-D171 PolarHBondContact O-N 3.23Å; D171-H173 VanDerWaalsContact C-N 3.33Å; D171-G192 WeakPolarHBondContact OD1-CA 3.45Å; D171-S193 VanDerWaalsContact CG-N 3.32Å; D171-S193 PolarHBondContact OD1-N 2.93Å; D171-S193 PolarHBondContact OD2-N 3.36Å; D171-S193 PolarHBondContact OD2-OG 2.76Å; D171-R194 HydrophobicContact CB-CG 4.39Å; D171-R194 PolarHBondContact O-NH1 3.44Å; D171-R194 WeakPolarHBondContact OD1-CB 3.34Å; D171-R194 PolarHBondContact OD1-N 3.35Å
172	G	98.3	Very high	97.7	Very high	56 Å²	56	39.4 Å²	39.4	58%	0.577	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.3	173	0	0	0	0	0	115	Q168 D169 V170	Q168-G172 PolarHBondContact O-N 2.84Å; D169-G172 PolarHBondContact O-N 3.24Å; V170-G172 PolarHBondContact O-N 2.99Å; V170-G172 VanDerWaalsContact O-N 3.12Å
173	H	98.5	Very high	97.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.009	23%	0.23	C	C	.	.	S	Bend	trans	-83.1	156.3	-175.2	-67.2	72.7	0	0	0	113	C152 A153 D169 V170 D171 I176 R194 N295 Y297	C152-H173 VanDerWaalsContact C-CD2 3.42Å; A153-H173 HydrophobicContact CB-CB 3.97Å; A153-H173 PolarHBondContact N-CD2 3.41Å; D169-H173 PolarHBondContact O-CE1 2.99Å; D169-H173 VanDerWaalsContact O-CE1 3.23Å; D169-H173 PolarHBondContact O-ND1 2.78Å; V170-H173 PolarHBondContact O-N 3.45Å; V170-H173 PolarHBondContact O-ND1 2.91Å; D171-H173 VanDerWaalsContact C-N 3.33Å; H173-I176 HydrophobicContact CB-CG1 4.17Å; H173-R194 PolarHBondContact O-NH1 2.86Å; H173-N295 PolarHBondContact NE2-ND2 3.05Å; H173-Y297 PolarHBondContact CE1-OH 3.08Å
174	N	97	Very high	98	Very high	80 Å²	80	36.9 Å²	36.9	43%	0.428	21%	0.211	S	C	.	.	S	Bend	trans	-69.8	-51.6	175.6	-56.9	101.6	0	0	0	110.1	C149 R150 R151	C149-N174 PolarHBondContact O-OD1 2.95Å; C149-N174 VanDerWaalsContact O-OD1 3.14Å; R150-N174 HydrophobicContact CG-CB 4.49Å; R151-N174 PolarHBondContact N-OD1 2.88Å; R151-N174 WeakPolarHBondContact O-CB 3.33Å; R151-N174 PolarHBondContact O-N 2.83Å
175	F	98.3	Very high	98	Very high	43 Å²	43	41.4 Å²	41.4	19%	0.189	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.8	171.7	-62.7	-16	0	0	0	111.4	Y141 R150 R151 C152 A153 M177 T196 H197	Y141-F175 HydrophobicContact CD1-CE2 4.11Å; Y141-F175 AromaticContact CE1-CE2 3.9Å; Y141-F175 HydrophobicContact CE1-CE2 3.9Å; Y141-F175 HydrophobicContact CE1-CZ 4.38Å; R150-F175 HydrophobicContact CG-CD2 4.39Å; R150-F175 HydrophobicContact CG-CE2 4.4Å; R151-F175 PolarHBondContact O-N 2.9Å; C152-F175 CarbonylContact C-O 3.58Å; C152-F175 VanDerWaalsContact CA-O 3.28Å; C152-F175 WeakPolarHBondContact CA-O 3.49Å; C152-F175 HydrophobicContact CB-CB 4.39Å; A153-F175 PolarHBondContact N-O 3.31Å; F175-M177 HydrophobicContact CB-CE 4.16Å; F175-M177 HydrophobicContact CD2-CE 3.97Å; F175-T196 VanDerWaalsContact CA-OG1 3.24Å; F175-T196 WeakPolarHBondContact CA-OG1 3.18Å; F175-H197 AromaticContact CD1-CE1 3.81Å; F175-H197 AromaticContact CD2-CE1 3.73Å; F175-H197 AromaticContact CE1-CE1 3.97Å; F175-H197 AromaticContact CE2-CE1 3.86Å; F175-H197 AromaticContact CG-CE1 3.7Å; F175-H197 AromaticContact CG-ND1 3.98Å; F175-H197 AromaticContact CZ-CE1 3.99Å
176	I	98.9	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	108	177.2	-59.2	162.5	0	0	0	106.1	A153 V155 V170 H173 R178 R194 T196 H197	A153-I176 HydrophobicContact CB-CG1 4.43Å; A153-I176 WeakPolarHBondContact O-CA 3.47Å; V155-I176 HydrophobicContact CG2-CG2 4.28Å; V170-I176 HydrophobicContact CG1-CG1 4.47Å; V170-I176 HydrophobicContact CG1-CG2 3.82Å; V170-I176 WeakPolarHBondContact O-CD1 3.37Å; V170-I176 WeakPolarHBondContact O-CG1 3.15Å; H173-I176 HydrophobicContact CB-CG1 4.17Å; I176-R178 HydrophobicContact CG2-CG 4.49Å; I176-R194 HydrophobicContact CD1-CB 3.49Å; I176-R194 VanDerWaalsContact CD1-CB 3.49Å; I176-R194 WeakPolarHBondContact CG2-O 3.42Å; I176-T196 PolarHBondContact N-OG1 2.86Å; I176-T196 PolarHBondContact O-N 3.12Å; I176-T196 PolarHBondContact O-OG1 3.06Å; I176-H197 PolarHBondContact O-N 3.21Å; I176-H197 VanDerWaalsContact O-N 3.11Å
177	M	98.9	Very high	98	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	115.6	-173.1	-56.4	-169.4	-174.9	0	0	109.4	A153 V155 F175 H197 F199 V283 F286 A287 V290	A153-M177 PolarHBondContact O-N 3.33Å; V155-M177 PolarHBondContact N-O 3.24Å; F175-M177 HydrophobicContact CB-CE 4.16Å; F175-M177 HydrophobicContact CD2-CE 3.97Å; M177-H197 WeakPolarHBondContact CA-O 3.34Å; M177-H197 HydrophobicContact CG-CB 4.19Å; M177-F199 HydrophobicContact CB-CE2 3.97Å; M177-F199 HydrophobicContact CG-CE2 4.19Å; M177-F199 HydrophobicContact SD-CE2 4.05Å; M177-F199 HydrophobicContact SD-CZ 4.21Å; M177-V283 HydrophobicContact CB-CG1 3.7Å; M177-V283 HydrophobicContact SD-CG1 4.26Å; M177-F286 HydrophobicContact CE-CD1 4.08Å; M177-F286 HydrophobicContact CE-CE1 4.25Å; M177-F286 HydrophobicContact SD-CD1 4.01Å; M177-A287 HydrophobicContact CE-CB 4.11Å; M177-A287 HydrophobicContact SD-CB 3.76Å; M177-V290 HydrophobicContact CE-CG2 3.57Å
178	R	98.8	Very high	98	Very high	1 Å²	1	46 Å²	46	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	167.2	177.1	-60.3	-172.8	-168.8	-85.2	-3	110.4	V155 I176 V191 G192 R194 T195 H197 H198 F199	V155-R178 HydrophobicContact CB-CG 4.33Å; I176-R178 HydrophobicContact CG2-CG 4.49Å; R178-V191 PolarHBondContact NH1-O 2.86Å; R178-V191 PolarHBondContact NH2-O 3.25Å; R178-G192 PolarHBondContact NH2-O 3.42Å; R178-R194 PolarHBondContact NE-O 2.83Å; R178-R194 PolarHBondContact NH2-O 2.69Å; R178-T195 HydrophobicContact CB-CG2 4.22Å; R178-T195 VanDerWaalsContact CD-OG1 3.28Å; R178-T195 WeakPolarHBondContact CD-OG1 3.24Å; R178-T195 HydrophobicContact CG-CG2 4.04Å; R178-T195 PolarHBondContact NE-OG1 3.12Å; R178-H197 PolarHBondContact N-O 2.99Å; R178-H198 CarbonylContact O-C 3.57Å; R178-H198 WeakPolarHBondContact O-CA 3.38Å; R178-F199 WeakPolarHBondContact O-CD2 3.36Å; R178-F199 PolarHBondContact O-N 2.87Å
179	M	98.4	Very high	98	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.025	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	161.9	-176.8	63.7	-162.6	76.6	0	0	113.1	V154 A182 H198 F199 T279 G280 V283 F299	V154-M179 HydrophobicContact CG1-CE 4.25Å; M179-A182 VanDerWaalsContact O-CB 3.23Å; M179-A182 WeakPolarHBondContact O-CB 3.36Å; M179-A182 PolarHBondContact O-N 3.37Å; M179-H198 VanDerWaalsContact C-NE2 3.3Å; M179-H198 PolarHBondContact O-NE2 3.23Å; M179-F199 CarbonylContact C-O 3.57Å; M179-F199 VanDerWaalsContact CA-O 3.25Å; M179-F199 WeakPolarHBondContact CA-O 3.5Å; M179-F199 HydrophobicContact CB-CB 4.23Å; M179-T279 HydrophobicContact CB-CG2 4.02Å; M179-T279 HydrophobicContact SD-CG2 4.37Å; M179-G280 WeakPolarHBondContact SD-CA 3.41Å; M179-V283 HydrophobicContact CB-CG2 4.21Å; M179-V283 HydrophobicContact CE-CB 3.7Å; M179-V283 HydrophobicContact CE-CG1 4Å; M179-V283 HydrophobicContact CE-CG2 3.8Å; M179-V283 HydrophobicContact SD-CG2 4.35Å; M179-F299 HydrophobicContact CE-CZ 4.16Å
180	N	97	Very high	98	Very high	29 Å²	29	43.4 Å²	43.4	16%	0.155	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-142.8	173.5	-55.6	-8.6	0	0	0	112.2	A182 H198 F199 S204	N180-A182 VanDerWaalsContact C-N 3.33Å; N180-A182 PolarHBondContact O-N 3.4Å; N180-H198 PolarHBondContact O-NE2 3.16Å; N180-F199 PolarHBondContact N-O 3.21Å; N180-S204 WeakPolarHBondContact CA-OG 3.48Å; N180-S204 VanDerWaalsContact CB-OG 3.23Å; N180-S204 WeakPolarHBondContact CB-OG 3.39Å
181	Q	95.6	Very high	98	Very high	108 Å²	108	43.4 Å²	43.4	51%	0.505	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	9.5	-178.5	-65.9	-174.4	-16	0	0	114.6	P183 S204	Q181-P183 WeakPolarHBondContact O-CD 3.49Å; Q181-P183 VanDerWaalsContact O-N 3.16Å; Q181-S204 WeakPolarHBondContact CG-O 3.45Å; Q181-S204 PolarHBondContact N-OG 2.57Å
182	A	96.6	Very high	98	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	24%	0.243	C	C	.	.			trans	-50.1	114.1	-173.4	0	0	0	0	0	113.3	N157 M179 N180 K206 Y310 W311	N157-A182 WeakPolarHBondContact OD1-CB 3.43Å; M179-A182 VanDerWaalsContact O-CB 3.23Å; M179-A182 WeakPolarHBondContact O-CB 3.36Å; M179-A182 PolarHBondContact O-N 3.37Å; N180-A182 VanDerWaalsContact C-N 3.33Å; N180-A182 PolarHBondContact O-N 3.4Å; A182-K206 PolarHBondContact O-NZ 3.22Å; A182-Y310 HydrophobicContact CB-CE1 4.35Å; A182-Y310 WeakPolarHBondContact CB-OH 2.98Å; A182-W311 HydrophobicContact CB-CH2 4.12Å; A182-W311 HydrophobicContact CB-CZ3 3.82Å
183	P	96.8	Very high	97.9	Very high	36 Å²	36	42.4 Å²	42.4	23%	0.234	24%	0.238	C	C	.	.			trans	-83.9	147.8	178.6	33.4	-32.5	0	0	0	111.5	Q181 F187 Y310 W311	Q181-P183 WeakPolarHBondContact O-CD 3.49Å; Q181-P183 VanDerWaalsContact O-N 3.16Å; P183-F187 HydrophobicContact CG-CD2 4.13Å; P183-F187 HydrophobicContact CG-CE2 4.07Å; P183-Y310 HydrophobicContact CG-CE2 4.3Å; P183-Y310 VanDerWaalsContact O-CE2 3.25Å; P183-Y310 WeakPolarHBondContact O-CE2 3.46Å; P183-Y310 PolarHBondContact O-OH 2.93Å; P183-W311 VanDerWaalsContact CD-CE3 3.42Å; P183-W311 HydrophobicContact CG-CB 3.44Å; P183-W311 VanDerWaalsContact CG-CB 3.44Å; P183-W311 HydrophobicContact CG-CD2 4Å; P183-W311 HydrophobicContact CG-CE3 4.34Å; P183-W311 HydrophobicContact CG-CG 3.62Å
184	T	98	Very high	97.9	Very high	27 Å²	27	47.6 Å²	47.6	17%	0.166	26%	0.257	C	S	.	.			trans	-100	-35	168.5	52.5	0	0	0	0	111.6	G186 F187 E188 V191	T184-G186 PolarHBondContact O-N 3.26Å; T184-F187 CarbonylContact O-C 3.57Å; T184-F187 PolarHBondContact O-N 2.99Å; T184-E188 VanDerWaalsContact O-CD 3.27Å; T184-E188 WeakPolarHBondContact O-CG 3.34Å; T184-E188 PolarHBondContact O-N 2.81Å; T184-V191 HydrophobicContact CG2-CG2 4.34Å
185	V	97.5	Very high	98	Very high	114 Å²	114	44.8 Å²	44.8	69%	0.691	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	122.9	-178.1	-179	0	0	0	0	111.1	F187 E188	V185-F187 VanDerWaalsContact C-N 3.32Å; V185-F187 WeakPolarHBondContact O-CD2 3.33Å; V185-E188 VanDerWaalsContact CA-OE1 3.3Å; V185-E188 WeakPolarHBondContact CA-OE1 3.49Å
186	G	97.6	Very high	98.1	Very high	61 Å²	61	44 Å²	44	63%	0.629	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	-0.2	-176.5	0	0	0	0	0	114.6	T184 E188	T184-G186 PolarHBondContact O-N 3.26Å; G186-E188 VanDerWaalsContact CA-OE2 3.3Å; G186-E188 WeakPolarHBondContact CA-OE2 3.29Å; G186-E188 PolarHBondContact N-OE1 3.45Å; G186-E188 PolarHBondContact N-OE2 2.81Å
187	F	98.2	Very high	98.1	Very high	55 Å²	55	44.3 Å²	44.3	24%	0.241	24%	0.243	C	C	.	.			trans	-129.6	10.6	-180	-59.7	-81.6	0	0	0	112.3	P183 T184 V185 Q189 D190 V191 Y310 W311	P183-F187 HydrophobicContact CG-CD2 4.13Å; P183-F187 HydrophobicContact CG-CE2 4.07Å; T184-F187 CarbonylContact O-C 3.57Å; T184-F187 PolarHBondContact O-N 2.99Å; V185-F187 VanDerWaalsContact C-N 3.32Å; V185-F187 WeakPolarHBondContact O-CD2 3.33Å; F187-Q189 PolarHBondContact O-N 3.48Å; F187-D190 PolarHBondContact O-N 3.14Å; F187-V191 HydrophobicContact CB-CG1 4.33Å; F187-V191 HydrophobicContact CB-CG2 3.93Å; F187-V191 WeakPolarHBondContact O-CG2 3.49Å; F187-V191 PolarHBondContact O-N 3.08Å; F187-Y310 HydrophobicContact CB-CD2 4.3Å; F187-Y310 HydrophobicContact CB-CE2 4.09Å; F187-Y310 AromaticContact CD1-CD2 3.92Å; F187-Y310 HydrophobicContact CD1-CD2 3.92Å; F187-Y310 HydrophobicContact CD1-CE2 4.4Å; F187-Y310 HydrophobicContact CD2-CD2 4.39Å; F187-Y310 HydrophobicContact CD2-CE2 4.13Å; F187-Y310 HydrophobicContact CE1-CD2 4.39Å; F187-Y310 VanDerWaalsContact CE1-O 3.24Å; F187-Y310 WeakPolarHBondContact CE1-O 3.39Å; F187-Y310 AromaticContact CG-CD2 3.94Å; F187-Y310 HydrophobicContact CG-CD2 3.94Å; F187-Y310 AromaticContact CG-CE2 3.94Å; F187-Y310 HydrophobicContact CG-CE2 3.94Å; F187-W311 HydrophobicContact CD2-CB 4.43Å; F187-W311 HydrophobicContact CE1-CB 4.45Å; F187-W311 HydrophobicContact CE2-CB 3.68Å; F187-W311 HydrophobicContact CZ-CB 3.7Å
188	E	98.6	Very high	98.1	Very high	77 Å²	77	44.4 Å²	44.4	36%	0.36	24%	0.244	S	C	.	.	H	α-helix	trans	-60.2	-33.5	-168.9	-62.7	88.9	157.6	0	0	112.9	G167 T184 V185 G186 D190 G192	G167-E188 WeakPolarHBondContact CA-O 3.33Å; T184-E188 VanDerWaalsContact O-CD 3.27Å; T184-E188 WeakPolarHBondContact O-CG 3.34Å; T184-E188 PolarHBondContact O-N 2.81Å; V185-E188 VanDerWaalsContact CA-OE1 3.3Å; V185-E188 WeakPolarHBondContact CA-OE1 3.49Å; G186-E188 VanDerWaalsContact CA-OE2 3.3Å; G186-E188 WeakPolarHBondContact CA-OE2 3.29Å; G186-E188 PolarHBondContact N-OE1 3.45Å; G186-E188 PolarHBondContact N-OE2 2.81Å; E188-D190 PolarHBondContact O-N 2.9Å; E188-G192 WeakPolarHBondContact O-CA 3.33Å; E188-G192 PolarHBondContact O-N 3.32Å
189	Q	98.4	Very high	98.1	Very high	161 Å²	161	44.4 Å²	44.4	75%	0.752	24%	0.243	S	C	*	.	H	α-helix	trans	-60.2	-34.5	176.5	-176.2	174.8	11.8	0	0	112.1	G165 G167 F187	G165-Q189 CarbonylContact C-O 3.36Å; G165-Q189 VanDerWaalsContact C-O 3.22Å; G165-Q189 VanDerWaalsContact CA-O 3.29Å; G165-Q189 WeakPolarHBondContact CA-O 3.39Å; G167-Q189 WeakPolarHBondContact CA-O 3.39Å; G167-Q189 PolarHBondContact N-O 3.22Å; F187-Q189 PolarHBondContact O-N 3.48Å
190	D	98.5	Very high	98.1	Very high	22 Å²	22	44.1 Å²	44.1	12%	0.118	24%	0.242	C	C	.	.	H	α-helix	trans	-95.1	-42.4	-175.7	-74.6	-27.9	0	0	0	112.2	L161 G163 S164 G165 Y166 G167 F187 E188	L161-D190 WeakPolarHBondContact O-CB 3.48Å; G163-D190 VanDerWaalsContact C-OD1 3.26Å; G163-D190 WeakPolarHBondContact CA-OD1 3.42Å; G163-D190 PolarHBondContact N-OD1 3.21Å; G163-D190 VanDerWaalsContact N-OD1 3.1Å; G163-D190 PolarHBondContact N-OD2 3.22Å; S164-D190 PolarHBondContact N-OD1 3.43Å; G165-D190 PolarHBondContact N-OD1 3Å; Y166-D190 CarbonylContact C-O 3.57Å; Y166-D190 WeakPolarHBondContact CB-O 3.32Å; G167-D190 PolarHBondContact N-O 3.41Å; F187-D190 PolarHBondContact O-N 3.14Å; E188-D190 PolarHBondContact O-N 2.9Å
191	V	98.6	Very high	98.1	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-111.9	-6.4	-168.9	-46.2	0	0	0	0	113.6	L161 V170 R178 T184 F187 Y310	L161-V191 HydrophobicContact CB-CG1 4.04Å; L161-V191 HydrophobicContact CD1-CG1 3.82Å; L161-V191 HydrophobicContact CG-CG1 4.43Å; V170-V191 WeakPolarHBondContact CG1-O 3.48Å; R178-V191 PolarHBondContact NH1-O 2.86Å; R178-V191 PolarHBondContact NH2-O 3.25Å; T184-V191 HydrophobicContact CG2-CG2 4.34Å; F187-V191 HydrophobicContact CB-CG1 4.33Å; F187-V191 HydrophobicContact CB-CG2 3.93Å; F187-V191 WeakPolarHBondContact O-CG2 3.49Å; F187-V191 PolarHBondContact O-N 3.08Å; V191-Y310 HydrophobicContact CG1-CD1 4.45Å; V191-Y310 HydrophobicContact CG1-CD2 4.05Å; V191-Y310 HydrophobicContact CG1-CE1 4.3Å; V191-Y310 HydrophobicContact CG1-CE2 3.91Å; V191-Y310 HydrophobicContact CG1-CG 4.33Å; V191-Y310 HydrophobicContact CG2-CE2 4.36Å
192	G	98.6	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.221	C	C	.	.			trans	82.5	164	-174.8	0	0	0	0	0	112.6	G167 D171 R178 E188	G167-G192 WeakPolarHBondContact O-CA 3.33Å; D171-G192 WeakPolarHBondContact OD1-CA 3.45Å; R178-G192 PolarHBondContact NH2-O 3.42Å; E188-G192 WeakPolarHBondContact O-CA 3.33Å; E188-G192 PolarHBondContact O-N 3.32Å
193	S	98.3	Very high	98.2	Very high	68 Å²	68	41.6 Å²	41.6	48%	0.476	23%	0.228	S	C	.	.	S	Bend	trans	-100.7	-24.6	-178.3	67.6	0	0	0	0	112.9	D171	D171-S193 VanDerWaalsContact CG-N 3.32Å; D171-S193 PolarHBondContact OD1-N 2.93Å; D171-S193 PolarHBondContact OD2-N 3.36Å; D171-S193 PolarHBondContact OD2-OG 2.76Å
194	R	98.4	Very high	98.1	Very high	111 Å²	111	40.3 Å²	40.3	42%	0.419	22%	0.22	S	C	.	.			trans	-87.4	149.9	-175.3	-62	173.3	67.6	-141.4	-4.7	111	D171 H173 I176 R178	D171-R194 HydrophobicContact CB-CG 4.39Å; D171-R194 PolarHBondContact O-NH1 3.44Å; D171-R194 WeakPolarHBondContact OD1-CB 3.34Å; D171-R194 PolarHBondContact OD1-N 3.35Å; H173-R194 PolarHBondContact O-NH1 2.86Å; I176-R194 HydrophobicContact CD1-CB 3.49Å; I176-R194 VanDerWaalsContact CD1-CB 3.49Å; I176-R194 WeakPolarHBondContact CG2-O 3.42Å; R178-R194 PolarHBondContact NE-O 2.83Å; R178-R194 PolarHBondContact NH2-O 2.69Å
195	T	98.8	Very high	98.1	Very high	21 Å²	21	39.5 Å²	39.5	13%	0.129	22%	0.215	C	C	.	.			trans	-144.2	134.5	170.6	-53.5	0	0	0	0	106.9	R178 H197 H198 V212	R178-T195 HydrophobicContact CB-CG2 4.22Å; R178-T195 VanDerWaalsContact CD-OG1 3.28Å; R178-T195 WeakPolarHBondContact CD-OG1 3.24Å; R178-T195 HydrophobicContact CG-CG2 4.04Å; R178-T195 PolarHBondContact NE-OG1 3.12Å; T195-H197 WeakPolarHBondContact CG2-O 3.37Å; T195-H198 HydrophobicContact CG2-CB 4.3Å; T195-V212 HydrophobicContact CG2-CG1 3.89Å; T195-V212 HydrophobicContact CG2-CG2 4.47Å
196	T	98.8	Very high	98.1	Very high	25 Å²	25	36.7 Å²	36.7	15%	0.153	19%	0.194	C	C	.	.	S	Bend	trans	-111.6	-33.7	173.7	67.4	0	0	0	0	111.8	F175 I176 S213	F175-T196 VanDerWaalsContact CA-OG1 3.24Å; F175-T196 WeakPolarHBondContact CA-OG1 3.18Å; I176-T196 PolarHBondContact N-OG1 2.86Å; I176-T196 PolarHBondContact O-N 3.12Å; I176-T196 PolarHBondContact O-OG1 3.06Å; T196-S213 WeakPolarHBondContact O-CB 3.4Å; T196-S213 PolarHBondContact O-N 2.96Å
197	H	98.9	Very high	98.1	Very high	8 Å²	8	37 Å²	37	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.9	176.3	-58.9	75.9	0	0	0	109.6	Y141 F175 I176 M177 R178 T195 F199 S213	Y141-H197 AromaticContact CE1-NE2 3.62Å; Y141-H197 AromaticContact CZ-NE2 3.67Å; Y141-H197 PolarHBondContact OH-CD2 3.21Å; Y141-H197 PolarHBondContact OH-NE2 3.37Å; F175-H197 AromaticContact CD1-CE1 3.81Å; F175-H197 AromaticContact CD2-CE1 3.73Å; F175-H197 AromaticContact CE1-CE1 3.97Å; F175-H197 AromaticContact CE2-CE1 3.86Å; F175-H197 AromaticContact CG-CE1 3.7Å; F175-H197 AromaticContact CG-ND1 3.98Å; F175-H197 AromaticContact CZ-CE1 3.99Å; I176-H197 PolarHBondContact O-N 3.21Å; I176-H197 VanDerWaalsContact O-N 3.11Å; M177-H197 WeakPolarHBondContact CA-O 3.34Å; M177-H197 HydrophobicContact CG-CB 4.19Å; R178-H197 PolarHBondContact N-O 2.99Å; T195-H197 WeakPolarHBondContact CG2-O 3.37Å; H197-F199 HydrophobicContact CB-CE2 3.95Å; H197-S213 CarbonylContact C-O 3.29Å; H197-S213 WeakPolarHBondContact CA-O 3.3Å
198	H	98.9	Very high	98.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.7	175	-154.8	117.8	0	0	0	109.9	R178 M179 N180 T195 M200 K206 L208 V212 S213 F214 V215	R178-H198 CarbonylContact O-C 3.57Å; R178-H198 WeakPolarHBondContact O-CA 3.38Å; M179-H198 VanDerWaalsContact C-NE2 3.3Å; M179-H198 PolarHBondContact O-NE2 3.23Å; N180-H198 PolarHBondContact O-NE2 3.16Å; T195-H198 HydrophobicContact CG2-CB 4.3Å; H198-M200 VanDerWaalsContact CD2-CG 3.46Å; H198-M200 WeakPolarHBondContact CD2-CG 3.31Å; H198-K206 WeakPolarHBondContact CE1-CE 3.37Å; H198-K206 PolarHBondContact CE1-NZ 3.42Å; H198-L208 HydrophobicContact CB-CD1 3.72Å; H198-L208 HydrophobicContact CB-CD2 3.84Å; H198-L208 HydrophobicContact CB-CG 4.45Å; H198-V212 HydrophobicContact CB-CG1 3.92Å; H198-S213 PolarHBondContact N-O 2.77Å; H198-F214 WeakPolarHBondContact O-CD2 3.41Å; H198-V215 PolarHBondContact O-N 3.18Å
199	F	98.9	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.4	-177.1	-67.1	-107.9	0	0	0	109.9	M177 R178 M179 N180 H197 V215 V217 Y257 V283 F286	M177-F199 HydrophobicContact CB-CE2 3.97Å; M177-F199 HydrophobicContact CG-CE2 4.19Å; M177-F199 HydrophobicContact SD-CE2 4.05Å; M177-F199 HydrophobicContact SD-CZ 4.21Å; R178-F199 WeakPolarHBondContact O-CD2 3.36Å; R178-F199 PolarHBondContact O-N 2.87Å; M179-F199 CarbonylContact C-O 3.57Å; M179-F199 VanDerWaalsContact CA-O 3.25Å; M179-F199 WeakPolarHBondContact CA-O 3.5Å; M179-F199 HydrophobicContact CB-CB 4.23Å; N180-F199 PolarHBondContact N-O 3.21Å; H197-F199 HydrophobicContact CB-CE2 3.95Å; F199-V215 WeakPolarHBondContact CA-O 3.45Å; F199-V215 HydrophobicContact CD1-CB 3.58Å; F199-V215 HydrophobicContact CD1-CG1 3.63Å; F199-V215 HydrophobicContact CD1-CG2 4.24Å; F199-V215 HydrophobicContact CD2-CB 4.44Å; F199-V215 HydrophobicContact CE1-CB 3.67Å; F199-V215 HydrophobicContact CE1-CG1 3.49Å; F199-V215 VanDerWaalsContact CE1-CG1 3.49Å; F199-V215 HydrophobicContact CE1-CG2 3.91Å; F199-V215 HydrophobicContact CE2-CB 4.47Å; F199-V215 HydrophobicContact CE2-CG2 4.16Å; F199-V215 HydrophobicContact CG-CB 4Å; F199-V215 HydrophobicContact CZ-CB 4.11Å; F199-V215 HydrophobicContact CZ-CG1 4.27Å; F199-V215 HydrophobicContact CZ-CG2 3.85Å; F199-V217 HydrophobicContact CB-CG2 4.25Å; F199-V217 HydrophobicContact CD1-CG2 4.1Å; F199-Y257 HydrophobicContact CD1-CD2 4.27Å; F199-Y257 HydrophobicContact CE1-CD2 4.09Å; F199-Y257 HydrophobicContact CE1-CE2 4.25Å; F199-V283 HydrophobicContact CB-CG2 3.57Å; F199-V283 HydrophobicContact CD1-CG2 3.67Å; F199-V283 HydrophobicContact CD2-CB 4.35Å; F199-V283 HydrophobicContact CD2-CG1 3.76Å; F199-V283 HydrophobicContact CD2-CG2 3.62Å; F199-V283 HydrophobicContact CE1-CG2 4.21Å; F199-V283 HydrophobicContact CE2-CG1 3.69Å; F199-V283 HydrophobicContact CE2-CG2 4.21Å; F199-V283 HydrophobicContact CG-CB 4.42Å; F199-V283 HydrophobicContact CG-CG1 4.31Å; F199-V283 HydrophobicContact CG-CG2 3.33Å; F199-V283 HydrophobicContact CZ-CG1 4.14Å; F199-V283 HydrophobicContact CZ-CG2 4.47Å; F199-F286 HydrophobicContact CE1-CB 4.16Å; F199-F286 HydrophobicContact CE1-CD1 4.15Å; F199-F286 AromaticContact CE1-CD2 3.74Å; F199-F286 HydrophobicContact CE1-CD2 3.74Å; F199-F286 HydrophobicContact CE1-CE1 4.45Å; F199-F286 HydrophobicContact CE1-CE2 4.09Å; F199-F286 AromaticContact CE1-CG 3.76Å; F199-F286 HydrophobicContact CE1-CG 3.76Å; F199-F286 HydrophobicContact CE1-CZ 4.4Å; F199-F286 HydrophobicContact CZ-CB 4.19Å; F199-F286 AromaticContact CZ-CD1 3.57Å; F199-F286 HydrophobicContact CZ-CD1 3.57Å; F199-F286 HydrophobicContact CZ-CD2 4.02Å; F199-F286 AromaticContact CZ-CE1 3.81Å; F199-F286 HydrophobicContact CZ-CE1 3.81Å; F199-F286 HydrophobicContact CZ-CE2 4.25Å; F199-F286 AromaticContact CZ-CG 3.67Å; F199-F286 HydrophobicContact CZ-CG 3.67Å; F199-F286 HydrophobicContact CZ-CZ 4.13Å
200	M	98.3	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	165.3	179.5	-48.5	177.7	-67.7	0	0	111.1	H198 K206 L208 F214 V215 L216 V217	H198-M200 VanDerWaalsContact CD2-CG 3.46Å; H198-M200 WeakPolarHBondContact CD2-CG 3.31Å; M200-K206 WeakPolarHBondContact CE-O 3.39Å; M200-K206 HydrophobicContact SD-CG 3.73Å; M200-K206 PolarHBondContact SD-N 3Å; M200-L208 HydrophobicContact CE-CD1 3.65Å; M200-L208 HydrophobicContact CE-CD2 4.27Å; M200-L208 HydrophobicContact CE-CG 3.92Å; M200-L208 HydrophobicContact SD-CD2 4.36Å; M200-F214 HydrophobicContact CB-CE2 3.71Å; M200-F214 HydrophobicContact CB-CZ 4.4Å; M200-F214 HydrophobicContact CE-CD2 3.45Å; M200-F214 VanDerWaalsContact CE-CD2 3.45Å; M200-F214 HydrophobicContact CE-CE2 3.47Å; M200-F214 VanDerWaalsContact CE-CE2 3.47Å; M200-F214 HydrophobicContact CE-CG 4.16Å; M200-F214 HydrophobicContact CE-CZ 4.12Å; M200-F214 HydrophobicContact CG-CE2 4.22Å; M200-V215 PolarHBondContact N-O 3.32Å; M200-V215 VanDerWaalsContact N-O 3.09Å; M200-L216 WeakPolarHBondContact O-CA 3.41Å; M200-V217 PolarHBondContact O-N 3.1Å
201	Y	98.4	Very high	97.8	Very high	50 Å²	50	35.1 Å²	35.1	20%	0.196	20%	0.195	C	C	.	.			trans	-130.5	164.7	169.1	52.3	-89.1	0	0	0	108	E203 S204 A205 V217 F219	Y201-E203 VanDerWaalsContact C-N 3.26Å; Y201-E203 HydrophobicContact CD2-CB 4.08Å; Y201-E203 WeakPolarHBondContact CD2-OE2 3.21Å; Y201-E203 HydrophobicContact CE2-CB 4.01Å; Y201-E203 PolarHBondContact O-N 3.41Å; Y201-E203 VanDerWaalsContact O-N 3.1Å; Y201-S204 VanDerWaalsContact CZ-CB 3.49Å; Y201-S204 CarbonylContact O-C 3.53Å; Y201-S204 PolarHBondContact O-N 3.38Å; Y201-A205 PolarHBondContact O-N 3.23Å; Y201-A205 VanDerWaalsContact O-N 3.08Å; Y201-V217 WeakPolarHBondContact CB-O 3.38Å; Y201-F219 AromaticContact CD1-CE2 3.63Å; Y201-F219 HydrophobicContact CD1-CE2 3.63Å; Y201-F219 HydrophobicContact CD1-CZ 4.4Å; Y201-F219 HydrophobicContact CD2-CE2 4.42Å; Y201-F219 HydrophobicContact CE1-CE2 4.3Å; Y201-F219 HydrophobicContact CG-CD2 4.16Å; Y201-F219 AromaticContact CG-CE2 3.69Å; Y201-F219 HydrophobicContact CG-CE2 3.69Å
202	P	98.3	Very high	97.8	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.019	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-51.1	-42.9	-167.9	-27.3	33.1	0	0	0	114.3	S204 A205 D223 W226 T239 V243	P202-S204 VanDerWaalsContact C-N 3.26Å; P202-S204 PolarHBondContact O-N 3.05Å; P202-A205 PolarHBondContact O-N 3.43Å; P202-D223 HydrophobicContact CG-CB 3.81Å; P202-D223 WeakPolarHBondContact CG-OD1 3.43Å; P202-W226 HydrophobicContact CB-CB 4.5Å; P202-W226 HydrophobicContact CB-CD2 3.58Å; P202-W226 HydrophobicContact CB-CE3 3.85Å; P202-W226 HydrophobicContact CB-CG 3.88Å; P202-W226 HydrophobicContact CB-CH2 4.5Å; P202-W226 HydrophobicContact CB-CZ2 4.32Å; P202-W226 HydrophobicContact CB-CZ3 4.29Å; P202-W226 HydrophobicContact CG-CB 4.14Å; P202-W226 HydrophobicContact CG-CD2 3.64Å; P202-W226 HydrophobicContact CG-CE3 3.49Å; P202-W226 VanDerWaalsContact CG-CE3 3.49Å; P202-W226 HydrophobicContact CG-CG 3.94Å; P202-W226 HydrophobicContact CG-CZ3 4.1Å; P202-T239 HydrophobicContact CB-CG2 4.41Å; P202-V243 HydrophobicContact CB-CB 4.2Å; P202-V243 HydrophobicContact CB-CG1 3.7Å
203	E	96.3	Very high	97.8	Very high	32 Å²	32	36.3 Å²	36.3	15%	0.15	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-75.3	-12.7	-176	-57.3	87.8	169.6	0	0	113.5	Y201 K220 T239 Y240 A241 V243	Y201-E203 VanDerWaalsContact C-N 3.26Å; Y201-E203 HydrophobicContact CD2-CB 4.08Å; Y201-E203 WeakPolarHBondContact CD2-OE2 3.21Å; Y201-E203 HydrophobicContact CE2-CB 4.01Å; Y201-E203 PolarHBondContact O-N 3.41Å; Y201-E203 VanDerWaalsContact O-N 3.1Å; E203-K220 WeakPolarHBondContact OE1-CE 3.38Å; E203-K220 IonicContact OE1-NZ 2.76Å; E203-K220 PolarHBondContact OE1-NZ 3.39Å; E203-K220 IonicContact OE2-NZ 2.83Å; E203-T239 VanDerWaalsContact CD-OG1 3.31Å; E203-T239 WeakPolarHBondContact CG-OG1 3.36Å; E203-T239 VanDerWaalsContact OE1-CB 3.3Å; E203-T239 WeakPolarHBondContact OE1-CB 3.36Å; E203-T239 PolarHBondContact OE1-OG1 3.41Å; E203-Y240 HydrophobicContact CG-CE1 3.82Å; E203-Y240 HydrophobicContact CG-CE2 4.11Å; E203-Y240 WeakPolarHBondContact OE1-CE1 3.47Å; E203-A241 HydrophobicContact CG-CB 4.34Å; E203-V243 HydrophobicContact CG-CG1 4.03Å
204	S	94.8	Very high	97.8	Very high	9 Å²	9	33.1 Å²	33.1	6%	0.063	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-120.9	15.6	177	-174.5	0	0	0	0	112.9	N180 Q181 Y201 P202	N180-S204 WeakPolarHBondContact CA-OG 3.48Å; N180-S204 VanDerWaalsContact CB-OG 3.23Å; N180-S204 WeakPolarHBondContact CB-OG 3.39Å; Q181-S204 WeakPolarHBondContact CG-O 3.45Å; Q181-S204 PolarHBondContact N-OG 2.57Å; Y201-S204 VanDerWaalsContact CZ-CB 3.49Å; Y201-S204 CarbonylContact O-C 3.53Å; Y201-S204 PolarHBondContact O-N 3.38Å; P202-S204 VanDerWaalsContact C-N 3.26Å; P202-S204 PolarHBondContact O-N 3.05Å
205	A	96.9	Very high	97.8	Very high	9 Å²	9	27.9 Å²	27.9	7%	0.074	16%	0.161	C	C	.	.			trans	-77.4	141.3	-173.8	0	0	0	0	0	113.5	Y201 P202 W226 L247	Y201-A205 PolarHBondContact O-N 3.23Å; Y201-A205 VanDerWaalsContact O-N 3.08Å; P202-A205 PolarHBondContact O-N 3.43Å; A205-W226 HydrophobicContact CB-CH2 3.53Å; A205-W226 HydrophobicContact CB-CZ2 3.87Å; A205-L247 HydrophobicContact CB-CD1 4.29Å
206	K	97.1	Very high	97.8	Very high	56 Å²	56	26.9 Å²	26.9	24%	0.243	15%	0.154	C	C	.	.			trans	-132.3	161.2	168.9	63.6	173.6	-175.4	174	0	110.3	A182 H198 M200 L208 L247	A182-K206 PolarHBondContact O-NZ 3.22Å; H198-K206 WeakPolarHBondContact CE1-CE 3.37Å; H198-K206 PolarHBondContact CE1-NZ 3.42Å; M200-K206 WeakPolarHBondContact CE-O 3.39Å; M200-K206 HydrophobicContact SD-CG 3.73Å; M200-K206 PolarHBondContact SD-N 3Å; K206-L208 HydrophobicContact CG-CD2 4.17Å; K206-L247 WeakPolarHBondContact O-CD1 3.32Å
207	N	98.1	Very high	97.8	Very high	68 Å²	68	25.7 Å²	25.7	36%	0.364	15%	0.147	S	C	.	.			trans	-65.7	146.3	172.1	-65.6	-29.5	0	0	0	109.7	K244 R248	N207-K244 WeakPolarHBondContact OD1-CE 3.49Å; N207-R248 WeakPolarHBondContact CA-O 3.38Å; N207-R248 HydrophobicContact CB-CB 4.06Å; N207-R248 PolarHBondContact OD1-N 3.18Å
208	L	98.1	Very high	97.7	Very high	17 Å²	17	25.4 Å²	25.4	9%	0.089	15%	0.146	C	C	.	.			trans	-122.8	149.7	178	-54.2	172.1	0	0	0	110.6	H198 M200 K206 V212 F214 R248 V249	H198-L208 HydrophobicContact CB-CD1 3.72Å; H198-L208 HydrophobicContact CB-CD2 3.84Å; H198-L208 HydrophobicContact CB-CG 4.45Å; M200-L208 HydrophobicContact CE-CD1 3.65Å; M200-L208 HydrophobicContact CE-CD2 4.27Å; M200-L208 HydrophobicContact CE-CG 3.92Å; M200-L208 HydrophobicContact SD-CD2 4.36Å; K206-L208 HydrophobicContact CG-CD2 4.17Å; L208-V212 HydrophobicContact CB-CB 4.24Å; L208-V212 HydrophobicContact CB-CG1 4.44Å; L208-V212 HydrophobicContact CD1-CG1 4.12Å; L208-F214 HydrophobicContact CD1-CB 3.89Å; L208-F214 HydrophobicContact CD1-CD2 4.26Å; L208-F214 HydrophobicContact CD1-CG 4.29Å; L208-R248 PolarHBondContact N-O 3.5Å; L208-V249 HydrophobicContact CB-CG1 3.99Å; L208-V249 HydrophobicContact CD1-CG1 4.02Å; L208-V249 HydrophobicContact CG-CG1 4.05Å
209	P	97.3	Very high	97.6	Very high	78 Å²	78	25.7 Å²	25.7	51%	0.506	15%	0.147	S	C	.	.			trans	-57.5	149.3	168	-22.8	34.3	0	0	0	111.8	N211 V212	P209-N211 VanDerWaalsContact CB-OD1 3.23Å; P209-N211 WeakPolarHBondContact CB-OD1 3.42Å; P209-N211 PolarHBondContact O-N 2.51Å; P209-N211 VanDerWaalsContact O-N 3.09Å; P209-V212 HydrophobicContact CB-CG2 4.14Å; P209-V212 HydrophobicContact CG-CG2 4.21Å; P209-V212 WeakPolarHBondContact O-CB 3.3Å; P209-V212 PolarHBondContact O-N 2.85Å
210	A	95.8	Very high	97.4	Very high	67 Å²	67	25.9 Å²	25.9	55%	0.554	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.9	-176.2	0	0	0	0	0	114.4	V212 D250 K253	A210-V212 VanDerWaalsContact C-N 3.33Å; A210-D250 HydrophobicContact CB-CB 4.4Å; A210-D250 WeakPolarHBondContact O-CB 3.37Å; A210-K253 PolarHBondContact O-NZ 3.02Å
211	N	95.9	Very high	97.2	Very high	113 Å²	113	26.5 Å²	26.5	60%	0.604	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.4	175.6	66.6	-45	0	0	0	113.9	P209	P209-N211 VanDerWaalsContact CB-OD1 3.23Å; P209-N211 WeakPolarHBondContact CB-OD1 3.42Å; P209-N211 PolarHBondContact O-N 2.51Å; P209-N211 VanDerWaalsContact O-N 3.09Å
212	V	98.4	Very high	97	Very high	6 Å²	6	26 Å²	26	4%	0.036	15%	0.154	C	C	.	.	S	Bend	trans	-97.7	128.2	-179.7	-178.3	0	0	0	0	110.1	T195 H198 L208 P209 A210	T195-V212 HydrophobicContact CG2-CG1 3.89Å; T195-V212 HydrophobicContact CG2-CG2 4.47Å; H198-V212 HydrophobicContact CB-CG1 3.92Å; L208-V212 HydrophobicContact CB-CB 4.24Å; L208-V212 HydrophobicContact CB-CG1 4.44Å; L208-V212 HydrophobicContact CD1-CG1 4.12Å; P209-V212 HydrophobicContact CB-CG2 4.14Å; P209-V212 HydrophobicContact CG-CG2 4.21Å; P209-V212 WeakPolarHBondContact O-CB 3.3Å; P209-V212 PolarHBondContact O-N 2.85Å; A210-V212 VanDerWaalsContact C-N 3.33Å
213	S	98.6	Very high	97	Very high	20 Å²	20	25.8 Å²	25.8	14%	0.14	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	125.8	171.2	-61.6	0	0	0	0	110.7	T196 H197 H198 K253	T196-S213 WeakPolarHBondContact O-CB 3.4Å; T196-S213 PolarHBondContact O-N 2.96Å; H197-S213 CarbonylContact C-O 3.29Å; H197-S213 WeakPolarHBondContact CA-O 3.3Å; H198-S213 PolarHBondContact N-O 2.77Å; S213-K253 CarbonylContact C-O 3.56Å; S213-K253 WeakPolarHBondContact CA-O 3.5Å
214	F	98.7	Very high	97	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.4	175.3	173.9	-143	0	0	0	109.8	H198 M200 L208 L216 W226 I227 L247 V249 K253 V254 Q255	H198-F214 WeakPolarHBondContact O-CD2 3.41Å; M200-F214 HydrophobicContact CB-CE2 3.71Å; M200-F214 HydrophobicContact CB-CZ 4.4Å; M200-F214 HydrophobicContact CE-CD2 3.45Å; M200-F214 VanDerWaalsContact CE-CD2 3.45Å; M200-F214 HydrophobicContact CE-CE2 3.47Å; M200-F214 VanDerWaalsContact CE-CE2 3.47Å; M200-F214 HydrophobicContact CE-CG 4.16Å; M200-F214 HydrophobicContact CE-CZ 4.12Å; M200-F214 HydrophobicContact CG-CE2 4.22Å; L208-F214 HydrophobicContact CD1-CB 3.89Å; L208-F214 HydrophobicContact CD1-CD2 4.26Å; L208-F214 HydrophobicContact CD1-CG 4.29Å; F214-L216 HydrophobicContact CE1-CB 4.23Å; F214-L216 HydrophobicContact CE2-CB 4.39Å; F214-L216 HydrophobicContact CZ-CB 3.84Å; F214-L216 HydrophobicContact CZ-CD1 3.92Å; F214-W226 HydrophobicContact CZ-CZ3 4.42Å; F214-I227 HydrophobicContact CD1-CD1 4.28Å; F214-I227 HydrophobicContact CE1-CD1 3.6Å; F214-I227 HydrophobicContact CE1-CG1 4.23Å; F214-L247 HydrophobicContact CD1-CD2 3.94Å; F214-L247 HydrophobicContact CE1-CD2 3.64Å; F214-L247 HydrophobicContact CZ-CD2 4.33Å; F214-V249 HydrophobicContact CB-CB 4.42Å; F214-V249 HydrophobicContact CB-CG1 4.2Å; F214-V249 HydrophobicContact CD1-CG1 4.36Å; F214-V249 HydrophobicContact CD1-CG2 4.24Å; F214-V249 HydrophobicContact CG-CG1 4.37Å; F214-K253 PolarHBondContact N-O 3.2Å; F214-V254 HydrophobicContact CB-CG2 4.37Å; F214-V254 HydrophobicContact CD1-CG1 4.1Å; F214-V254 HydrophobicContact CD1-CG2 4.12Å; F214-V254 CarbonylContact O-C 3.22Å; F214-V254 WeakPolarHBondContact O-CA 3.45Å; F214-Q255 PolarHBondContact O-N 3.01Å; F214-Q255 PolarHBondContact O-OE1 3.22Å
215	V	98.8	Very high	97.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	108.3	172	-169.4	0	0	0	0	109.2	H198 F199 M200 Q255 Y257 F286	H198-V215 PolarHBondContact O-N 3.18Å; F199-V215 WeakPolarHBondContact CA-O 3.45Å; F199-V215 HydrophobicContact CD1-CB 3.58Å; F199-V215 HydrophobicContact CD1-CG1 3.63Å; F199-V215 HydrophobicContact CD1-CG2 4.24Å; F199-V215 HydrophobicContact CD2-CB 4.44Å; F199-V215 HydrophobicContact CE1-CB 3.67Å; F199-V215 HydrophobicContact CE1-CG1 3.49Å; F199-V215 VanDerWaalsContact CE1-CG1 3.49Å; F199-V215 HydrophobicContact CE1-CG2 3.91Å; F199-V215 HydrophobicContact CE2-CB 4.47Å; F199-V215 HydrophobicContact CE2-CG2 4.16Å; F199-V215 HydrophobicContact CG-CB 4Å; F199-V215 HydrophobicContact CZ-CB 4.11Å; F199-V215 HydrophobicContact CZ-CG1 4.27Å; F199-V215 HydrophobicContact CZ-CG2 3.85Å; M200-V215 PolarHBondContact N-O 3.32Å; M200-V215 VanDerWaalsContact N-O 3.09Å; V215-Q255 WeakPolarHBondContact CA-O 3.29Å; V215-Q255 HydrophobicContact CG1-CB 4.43Å; V215-Q255 HydrophobicContact CG2-CB 4.4Å; V215-Y257 HydrophobicContact CG1-CD2 4.34Å; V215-F286 HydrophobicContact CG1-CE2 4.31Å
216	L	98.8	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.4	173.2	176.6	69.6	0	0	0	109.4	M200 F214 P218 L224 W226 I227 Q255 I256 Y257	M200-L216 WeakPolarHBondContact O-CA 3.41Å; F214-L216 HydrophobicContact CE1-CB 4.23Å; F214-L216 HydrophobicContact CE2-CB 4.39Å; F214-L216 HydrophobicContact CZ-CB 3.84Å; F214-L216 HydrophobicContact CZ-CD1 3.92Å; L216-P218 VanDerWaalsContact O-CD 3.3Å; L216-P218 WeakPolarHBondContact O-CD 3.4Å; L216-L224 HydrophobicContact CD2-CD2 4.24Å; L216-W226 HydrophobicContact CD1-CE3 4.35Å; L216-W226 HydrophobicContact CD1-CZ3 4.03Å; L216-I227 HydrophobicContact CD2-CB 3.93Å; L216-I227 HydrophobicContact CD2-CG2 3.53Å; L216-Q255 PolarHBondContact N-O 2.84Å; L216-I256 HydrophobicContact CB-CD1 4.02Å; L216-I256 HydrophobicContact CD2-CD1 3.99Å; L216-Y257 WeakPolarHBondContact O-CB 3.47Å; L216-Y257 PolarHBondContact O-N 3.12Å
217	V	98.7	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.139	C	C	.	.			trans	-101.5	100	169.7	-174.6	0	0	0	0	108.7	F199 M200 Y201 F219 Y257 L282	F199-V217 HydrophobicContact CB-CG2 4.25Å; F199-V217 HydrophobicContact CD1-CG2 4.1Å; M200-V217 PolarHBondContact O-N 3.1Å; Y201-V217 WeakPolarHBondContact CB-O 3.38Å; V217-F219 HydrophobicContact CB-CE2 4.17Å; V217-F219 HydrophobicContact CB-CZ 4.48Å; V217-F219 HydrophobicContact CG1-CD2 4.48Å; V217-F219 HydrophobicContact CG1-CE1 4.31Å; V217-F219 HydrophobicContact CG1-CE2 3.75Å; V217-F219 HydrophobicContact CG1-CZ 3.65Å; V217-F219 WeakPolarHBondContact O-CD2 3.28Å; V217-Y257 HydrophobicContact CG2-CD2 4.21Å; V217-Y257 HydrophobicContact CG2-CG 4.47Å; V217-L282 HydrophobicContact CG1-CD1 3.63Å
218	P	97.4	Very high	97.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.013	13%	0.129	C	C	.	.			trans	-87.1	118.3	-176.1	34.6	-32.7	0	0	0	111	W112 L216 D223 L224 I256	W112-P218 HydrophobicContact CZ2-CB 4.21Å; W112-P218 PolarHBondContact NE1-O 3.23Å; L216-P218 VanDerWaalsContact O-CD 3.3Å; L216-P218 WeakPolarHBondContact O-CD 3.4Å; P218-D223 HydrophobicContact CB-CB 4.12Å; P218-L224 HydrophobicContact CB-CD2 3.89Å; P218-L224 HydrophobicContact CB-CG 4.32Å; P218-L224 HydrophobicContact CG-CD2 4.15Å; P218-I256 HydrophobicContact CG-CG2 4.14Å
219	F	96.4	Very high	97.1	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.035	13%	0.127	C	C	.	.	S	Bend	trans	-94	-12.2	174.4	-62.3	-85.7	0	0	0	112.5	Q116 Y201 V217 D223 F262 Y276	Q116-F219 HydrophobicContact CG-CB 4.42Å; Y201-F219 AromaticContact CD1-CE2 3.63Å; Y201-F219 HydrophobicContact CD1-CE2 3.63Å; Y201-F219 HydrophobicContact CD1-CZ 4.4Å; Y201-F219 HydrophobicContact CD2-CE2 4.42Å; Y201-F219 HydrophobicContact CE1-CE2 4.3Å; Y201-F219 HydrophobicContact CG-CD2 4.16Å; Y201-F219 AromaticContact CG-CE2 3.69Å; Y201-F219 HydrophobicContact CG-CE2 3.69Å; V217-F219 HydrophobicContact CB-CE2 4.17Å; V217-F219 HydrophobicContact CB-CZ 4.48Å; V217-F219 HydrophobicContact CG1-CD2 4.48Å; V217-F219 HydrophobicContact CG1-CE1 4.31Å; V217-F219 HydrophobicContact CG1-CE2 3.75Å; V217-F219 HydrophobicContact CG1-CZ 3.65Å; V217-F219 WeakPolarHBondContact O-CD2 3.28Å; F219-D223 PolarHBondContact N-OD2 3.17Å; F219-F262 AromaticContact CD1-CE1 3.72Å; F219-F262 HydrophobicContact CD1-CE1 3.72Å; F219-F262 AromaticContact CD1-CZ 3.93Å; F219-F262 HydrophobicContact CD1-CZ 3.93Å; F219-F262 AromaticContact CE1-CE1 3.78Å; F219-F262 HydrophobicContact CE1-CE1 3.78Å; F219-F262 AromaticContact CE1-CZ 3.69Å; F219-F262 HydrophobicContact CE1-CZ 3.69Å; F219-Y276 HydrophobicContact CD1-CD2 4.2Å; F219-Y276 AromaticContact CD1-CE2 3.82Å; F219-Y276 HydrophobicContact CD1-CE2 3.82Å; F219-Y276 HydrophobicContact CE1-CD2 4.02Å; F219-Y276 AromaticContact CE1-CE2 3.77Å; F219-Y276 HydrophobicContact CE1-CE2 3.77Å
220	K	94.4	Very high	97.1	Very high	5 Å²	5	16.5 Å²	16.5	2%	0.022	10%	0.104	C	C	.	.	S	Bend	trans	-156.1	157.9	179.3	50.2	-174.1	176.9	-53.7	0	110.7	W112 Q116 Q118 E203 L222 D223	W112-K220 VanDerWaalsContact CZ2-C 3.48Å; Q116-K220 HydrophobicContact CB-CB 4.23Å; Q116-K220 HydrophobicContact CB-CD 4.23Å; Q118-K220 HydrophobicContact CG-CB 4.16Å; E203-K220 WeakPolarHBondContact OE1-CE 3.38Å; E203-K220 IonicContact OE1-NZ 2.76Å; E203-K220 PolarHBondContact OE1-NZ 3.39Å; E203-K220 IonicContact OE2-NZ 2.83Å; K220-L222 HydrophobicContact CD-CB 4.16Å; K220-L222 HydrophobicContact CG-CB 4.17Å; K220-L222 PolarHBondContact O-N 3.25Å; K220-L222 VanDerWaalsContact O-N 3.14Å; K220-D223 WeakPolarHBondContact CE-OD1 3.45Å; K220-D223 VanDerWaalsContact CG-CG 3.47Å; K220-D223 WeakPolarHBondContact CG-OD1 3.48Å; K220-D223 WeakPolarHBondContact CG-OD2 3.33Å; K220-D223 PolarHBondContact N-OD2 2.91Å; K220-D223 VanDerWaalsContact N-OD2 3.14Å; K220-D223 IonicContact NZ-OD1 3.08Å; K220-D223 PolarHBondContact NZ-OD1 3.36Å; K220-D223 IonicContact NZ-OD2 2.65Å; K220-D223 WeakPolarHBondContact O-CB 3.24Å; K220-D223 PolarHBondContact O-N 2.66Å
221	A	93.5	Very high	97.2	Very high	13 Å²	13	13.9 Å²	13.9	11%	0.107	8%	0.08	C	C	.	.	H	α-helix	trans	-58.3	-28.2	176.6	0	0	0	0	0	113.6	W112 Q122 D223 L224 L225	W112-A221 HydrophobicContact CH2-CB 3.91Å; W112-A221 HydrophobicContact CZ3-CB 4.24Å; Q122-A221 HydrophobicContact CB-CB 4.27Å; A221-D223 PolarHBondContact O-N 3.17Å; A221-L224 WeakPolarHBondContact O-CB 3.27Å; A221-L224 PolarHBondContact O-N 2.86Å; A221-L225 PolarHBondContact O-N 3.5Å
222	L	95.6	Very high	97.2	Very high	38 Å²	38	11.5 Å²	11.5	20%	0.199	7%	0.072	C	C	.	.	H	α-helix	trans	-61.4	-27.2	174.6	-175	58.7	0	0	0	112.6	K220 L225 W226 I236 T239	K220-L222 HydrophobicContact CD-CB 4.16Å; K220-L222 HydrophobicContact CG-CB 4.17Å; K220-L222 PolarHBondContact O-N 3.25Å; K220-L222 VanDerWaalsContact O-N 3.14Å; L222-L225 HydrophobicContact CD1-CB 4.47Å; L222-L225 HydrophobicContact CD1-CD1 4.47Å; L222-L225 PolarHBondContact O-N 3.21Å; L222-W226 WeakPolarHBondContact O-CB 3.36Å; L222-W226 PolarHBondContact O-N 2.82Å; L222-I236 HydrophobicContact CD1-CD1 4.09Å; L222-T239 HydrophobicContact CD2-CG2 3.78Å; L222-T239 HydrophobicContact CG-CG2 4.16Å
223	D	97.4	Very high	97.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70.7	-34.7	179.1	-56.2	-19.5	0	0	0	111.2	P202 P218 F219 K220 A221 W226 I227	P202-D223 HydrophobicContact CG-CB 3.81Å; P202-D223 WeakPolarHBondContact CG-OD1 3.43Å; P218-D223 HydrophobicContact CB-CB 4.12Å; F219-D223 PolarHBondContact N-OD2 3.17Å; K220-D223 WeakPolarHBondContact CE-OD1 3.45Å; K220-D223 VanDerWaalsContact CG-CG 3.47Å; K220-D223 WeakPolarHBondContact CG-OD1 3.48Å; K220-D223 WeakPolarHBondContact CG-OD2 3.33Å; K220-D223 PolarHBondContact N-OD2 2.91Å; K220-D223 VanDerWaalsContact N-OD2 3.14Å; K220-D223 IonicContact NZ-OD1 3.08Å; K220-D223 PolarHBondContact NZ-OD1 3.36Å; K220-D223 IonicContact NZ-OD2 2.65Å; K220-D223 WeakPolarHBondContact O-CB 3.24Å; K220-D223 PolarHBondContact O-N 2.66Å; A221-D223 PolarHBondContact O-N 3.17Å; D223-W226 PolarHBondContact O-N 2.9Å; D223-I227 PolarHBondContact O-N 2.85Å
224	L	97.2	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.8	-44.2	173.9	-57.9	176	0	0	0	111.1	W97 W112 T124 V127 L128 L131 L216 P218 A221 W226 I227 A228 I256	W97-L224 HydrophobicContact CE3-CD2 4.49Å; W97-L224 HydrophobicContact CH2-CD1 4.29Å; W97-L224 HydrophobicContact CZ3-CD1 3.78Å; W97-L224 HydrophobicContact CZ3-CD2 4.26Å; W112-L224 HydrophobicContact CH2-CD1 4.09Å; T124-L224 HydrophobicContact CG2-CD1 4.26Å; V127-L224 HydrophobicContact CG1-CB 3.63Å; V127-L224 HydrophobicContact CG1-CD1 4.27Å; L128-L224 HydrophobicContact CD2-CD1 4.05Å; L128-L224 HydrophobicContact CD2-CD2 4.3Å; L128-L224 HydrophobicContact CG-CD1 4.34Å; L131-L224 HydrophobicContact CD2-CB 4.45Å; L131-L224 HydrophobicContact CD2-CD2 4.17Å; L216-L224 HydrophobicContact CD2-CD2 4.24Å; P218-L224 HydrophobicContact CB-CD2 3.89Å; P218-L224 HydrophobicContact CB-CG 4.32Å; P218-L224 HydrophobicContact CG-CD2 4.15Å; A221-L224 WeakPolarHBondContact O-CB 3.27Å; A221-L224 PolarHBondContact O-N 2.86Å; L224-W226 VanDerWaalsContact C-N 3.3Å; L224-W226 PolarHBondContact O-N 2.8Å; L224-I227 WeakPolarHBondContact O-CG2 3.4Å; L224-I227 PolarHBondContact O-N 3Å; L224-A228 PolarHBondContact O-N 2.62Å; L224-A228 VanDerWaalsContact O-N 3.16Å; L224-I256 HydrophobicContact CD2-CG2 3.78Å
225	L	96.3	Very high	97	Very high	47 Å²	47	21 Å²	21	25%	0.246	12%	0.12	C	C	.	.	H	α-helix	trans	-62.7	-40.4	174.2	-70	172.5	0	0	0	111.2	Q122 V127 A221 L222 A228 S229 I236	Q122-L225 HydrophobicContact CG-CD1 4.2Å; V127-L225 HydrophobicContact CB-CD2 4.5Å; V127-L225 HydrophobicContact CG1-CD2 3.91Å; V127-L225 HydrophobicContact CG1-CG 4.14Å; V127-L225 HydrophobicContact CG2-CD2 3.77Å; V127-L225 HydrophobicContact CG2-CG 4.28Å; A221-L225 PolarHBondContact O-N 3.5Å; L222-L225 HydrophobicContact CD1-CB 4.47Å; L222-L225 HydrophobicContact CD1-CD1 4.47Å; L222-L225 PolarHBondContact O-N 3.21Å; L225-A228 PolarHBondContact O-N 3.3Å; L225-S229 WeakPolarHBondContact O-CB 3.48Å; L225-S229 PolarHBondContact O-N 3.38Å; L225-I236 HydrophobicContact CB-CD1 3.73Å
226	W	97.8	Very high	96.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-48	177.4	168.7	77.2	0	0	0	110.8	P202 A205 F214 L216 L222 D223 L224 A228 S229 A230 I236 K244 L247	P202-W226 HydrophobicContact CB-CB 4.5Å; P202-W226 HydrophobicContact CB-CD2 3.58Å; P202-W226 HydrophobicContact CB-CE3 3.85Å; P202-W226 HydrophobicContact CB-CG 3.88Å; P202-W226 HydrophobicContact CB-CH2 4.5Å; P202-W226 HydrophobicContact CB-CZ2 4.32Å; P202-W226 HydrophobicContact CB-CZ3 4.29Å; P202-W226 HydrophobicContact CG-CB 4.14Å; P202-W226 HydrophobicContact CG-CD2 3.64Å; P202-W226 HydrophobicContact CG-CE3 3.49Å; P202-W226 VanDerWaalsContact CG-CE3 3.49Å; P202-W226 HydrophobicContact CG-CG 3.94Å; P202-W226 HydrophobicContact CG-CZ3 4.1Å; A205-W226 HydrophobicContact CB-CH2 3.53Å; A205-W226 HydrophobicContact CB-CZ2 3.87Å; F214-W226 HydrophobicContact CZ-CZ3 4.42Å; L216-W226 HydrophobicContact CD1-CE3 4.35Å; L216-W226 HydrophobicContact CD1-CZ3 4.03Å; L222-W226 WeakPolarHBondContact O-CB 3.36Å; L222-W226 PolarHBondContact O-N 2.82Å; D223-W226 PolarHBondContact O-N 2.9Å; L224-W226 VanDerWaalsContact C-N 3.3Å; L224-W226 PolarHBondContact O-N 2.8Å; W226-A228 VanDerWaalsContact C-N 3.33Å; W226-A228 PolarHBondContact O-N 2.81Å; W226-S229 CarbonylContact O-C 3.47Å; W226-S229 PolarHBondContact O-N 2.83Å; W226-S229 VanDerWaalsContact O-N 3.16Å; W226-A230 HydrophobicContact CD2-CB 4.39Å; W226-A230 HydrophobicContact CZ2-CB 4.23Å; W226-A230 VanDerWaalsContact O-CB 3.26Å; W226-A230 WeakPolarHBondContact O-CB 3.32Å; W226-A230 PolarHBondContact O-N 3.47Å; W226-I236 HydrophobicContact CB-CG2 4.17Å; W226-I236 HydrophobicContact CG-CG2 4.49Å; W226-K244 HydrophobicContact CZ2-CB 4.49Å; W226-K244 PolarHBondContact NE1-O 2.96Å; W226-L247 HydrophobicContact CH2-CD2 3.87Å; W226-L247 HydrophobicContact CZ3-CD2 4.49Å
227	I	98.1	Very high	96.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-38.8	-178.5	-170.2	54.8	0	0	0	111.7	L131 F214 L216 D223 L224 S229 A230 L231 L247	L131-I227 HydrophobicContact CD1-CG2 3.67Å; L131-I227 HydrophobicContact CD2-CG2 3.84Å; L131-I227 HydrophobicContact CG-CG2 4.44Å; F214-I227 HydrophobicContact CD1-CD1 4.28Å; F214-I227 HydrophobicContact CE1-CD1 3.6Å; F214-I227 HydrophobicContact CE1-CG1 4.23Å; L216-I227 HydrophobicContact CD2-CB 3.93Å; L216-I227 HydrophobicContact CD2-CG2 3.53Å; D223-I227 PolarHBondContact O-N 2.85Å; L224-I227 WeakPolarHBondContact O-CG2 3.4Å; L224-I227 PolarHBondContact O-N 3Å; I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 PolarHBondContact O-N 2.98Å; I227-A230 PolarHBondContact O-N 2.65Å; I227-L231 HydrophobicContact CD1-CD1 3.8Å; I227-L231 HydrophobicContact CD1-CD2 4.23Å; I227-L231 HydrophobicContact CD1-CG 3.76Å; I227-L231 HydrophobicContact CG1-CD1 3.84Å; I227-L231 HydrophobicContact CG1-CG 4.24Å; I227-L231 WeakPolarHBondContact O-CB 3.17Å; I227-L231 VanDerWaalsContact O-CG 3.3Å; I227-L231 WeakPolarHBondContact O-CG 3.21Å; I227-L231 PolarHBondContact O-N 3.01Å; I227-L231 VanDerWaalsContact O-N 3.09Å; I227-L247 HydrophobicContact CD1-CD2 3.79Å
228	A	96.9	Very high	96.7	Very high	18 Å²	18	36.6 Å²	36.6	15%	0.149	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-45.1	173.6	0	0	0	0	0	110.8	L131 I134 L224 L225 W226 S232	L131-A228 HydrophobicContact CD1-CB 4.18Å; I134-A228 HydrophobicContact CD1-CB 4.02Å; L224-A228 PolarHBondContact O-N 2.62Å; L224-A228 VanDerWaalsContact O-N 3.16Å; L225-A228 PolarHBondContact O-N 3.3Å; W226-A228 VanDerWaalsContact C-N 3.33Å; W226-A228 PolarHBondContact O-N 2.81Å; A228-S232 WeakPolarHBondContact O-CB 3.08Å; A228-S232 PolarHBondContact O-N 3.06Å; A228-S232 PolarHBondContact O-OG 3.5Å
229	S	97.4	Very high	96.4	Very high	7 Å²	7	37.6 Å²	37.6	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-45.2	177.1	-168.7	0	0	0	0	112.5	L225 W226 I227 L231 S232 T233 G234 Q235 I236	L225-S229 WeakPolarHBondContact O-CB 3.48Å; L225-S229 PolarHBondContact O-N 3.38Å; W226-S229 CarbonylContact O-C 3.47Å; W226-S229 PolarHBondContact O-N 2.83Å; W226-S229 VanDerWaalsContact O-N 3.16Å; I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 PolarHBondContact O-N 2.98Å; S229-L231 PolarHBondContact O-N 3.16Å; S229-S232 CarbonylContact O-C 3.59Å; S229-S232 PolarHBondContact O-N 3.3Å; S229-T233 PolarHBondContact O-N 2.97Å; S229-T233 PolarHBondContact OG-OG1 3.38Å; S229-T233 VanDerWaalsContact OG-OG1 3.07Å; S229-G234 PolarHBondContact O-N 3.45Å; S229-Q235 PolarHBondContact OG-N 3.02Å; S229-I236 PolarHBondContact OG-N 3.18Å; S229-I236 VanDerWaalsContact OG-N 3.16Å
230	A	98.1	Very high	96.2	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-23.8	-175.1	0	0	0	0	0	113.5	W226 I227 S245 F246 L247	W226-A230 HydrophobicContact CD2-CB 4.39Å; W226-A230 HydrophobicContact CZ2-CB 4.23Å; W226-A230 VanDerWaalsContact O-CB 3.26Å; W226-A230 WeakPolarHBondContact O-CB 3.32Å; W226-A230 PolarHBondContact O-N 3.47Å; I227-A230 PolarHBondContact O-N 2.65Å; A230-S245 WeakPolarHBondContact CA-O 3.19Å; A230-F246 WeakPolarHBondContact O-CA 3.48Å; A230-L247 HydrophobicContact CB-CB 3.96Å; A230-L247 PolarHBondContact O-N 3.03Å; A230-L247 VanDerWaalsContact O-N 3.08Å
231	L	97.5	Very high	96.2	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.063	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-2.7	173.5	-62	179.4	0	0	0	113.4	I134 V135 I227 S229 V249 K251 V254	I134-L231 HydrophobicContact CG2-CB 3.91Å; I134-L231 HydrophobicContact CG2-CD1 4.15Å; V135-L231 HydrophobicContact CG1-CD1 3.74Å; I227-L231 HydrophobicContact CD1-CD1 3.8Å; I227-L231 HydrophobicContact CD1-CD2 4.23Å; I227-L231 HydrophobicContact CD1-CG 3.76Å; I227-L231 HydrophobicContact CG1-CD1 3.84Å; I227-L231 HydrophobicContact CG1-CG 4.24Å; I227-L231 WeakPolarHBondContact O-CB 3.17Å; I227-L231 VanDerWaalsContact O-CG 3.3Å; I227-L231 WeakPolarHBondContact O-CG 3.21Å; I227-L231 PolarHBondContact O-N 3.01Å; I227-L231 VanDerWaalsContact O-N 3.09Å; S229-L231 PolarHBondContact O-N 3.16Å; L231-V249 HydrophobicContact CD2-CG2 3.62Å; L231-K251 HydrophobicContact CD1-CG 4.4Å; L231-K251 HydrophobicContact CD2-CG 4.31Å; L231-K251 WeakPolarHBondContact O-CE 3.4Å; L231-K251 PolarHBondContact O-NZ 3.44Å; L231-V254 HydrophobicContact CD1-CG2 4.23Å
232	S	95.7	Very high	96.4	Very high	63 Å²	63	49.2 Å²	49.2	44%	0.441	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-84.8	-177.4	64.8	0	0	0	0	112.9	A228 S229	A228-S232 WeakPolarHBondContact O-CB 3.08Å; A228-S232 PolarHBondContact O-N 3.06Å; A228-S232 PolarHBondContact O-OG 3.5Å; S229-S232 CarbonylContact O-C 3.59Å; S229-S232 PolarHBondContact O-N 3.3Å
233	T	96.8	Very high	96.5	Very high	75 Å²	75	48.1 Å²	48.1	46%	0.46	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-24	-165.5	61.2	0	0	0	0	115.3	S229 Q235	S229-T233 PolarHBondContact O-N 2.97Å; S229-T233 PolarHBondContact OG-OG1 3.38Å; S229-T233 VanDerWaalsContact OG-OG1 3.07Å; T233-Q235 PolarHBondContact O-N 3.44Å
234	G	96.4	Very high	96.5	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.01	26%	0.262	C	S	.	.			trans	57.6	31.2	-174.7	0	0	0	0	0	116.1	S229 R237 S245	S229-G234 PolarHBondContact O-N 3.45Å; G234-R237 PolarHBondContact O-NE 3.28Å; G234-S245 WeakPolarHBondContact CA-O 3.31Å
235	Q	97.3	Very high	96.5	Very high	151 Å²	151	53.6 Å²	53.6	71%	0.706	28%	0.275	S	S	*	.			trans	-75.7	-35.8	177.6	-72	175.9	-6.7	0	0	112.7	S229 T233 R237	S229-Q235 PolarHBondContact OG-N 3.02Å; T233-Q235 PolarHBondContact O-N 3.44Å; Q235-R237 PolarHBondContact O-N 3.13Å
236	I	96.5	Very high	96.6	Very high	37 Å²	37	56.7 Å²	56.7	19%	0.19	29%	0.287	C	S	.	.			trans	-85.1	111.5	179.9	-57.9	-174.8	0	0	0	109.4	L222 L225 W226 S229 V243	L222-I236 HydrophobicContact CD1-CD1 4.09Å; L225-I236 HydrophobicContact CB-CD1 3.73Å; W226-I236 HydrophobicContact CB-CG2 4.17Å; W226-I236 HydrophobicContact CG-CG2 4.49Å; S229-I236 PolarHBondContact OG-N 3.18Å; S229-I236 VanDerWaalsContact OG-N 3.16Å; I236-V243 HydrophobicContact CG2-CG2 4.49Å
237	R	97.1	Very high	96.6	Very high	165 Å²	165	57.1 Å²	57.1	62%	0.623	29%	0.289	S	S	*	.			trans	-119.8	-6	-177.4	-49.9	-170.6	177.7	173	-1.3	113.5	G234 Q235 V243	G234-R237 PolarHBondContact O-NE 3.28Å; Q235-R237 PolarHBondContact O-N 3.13Å; R237-V243 VanDerWaalsContact C-CG2 3.45Å; R237-V243 PolarHBondContact O-N 3Å
238	F	96.2	Very high	96.6	Very high	124 Å²	124	66.4 Å²	66.4	54%	0.544	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-149.2	138.3	-174.3	-161.8	-90.2	0	0	0	110.5	Y240 A241 P242	F238-Y240 WeakPolarHBondContact CZ-O 3.38Å; F238-A241 WeakPolarHBondContact CA-O 3.45Å; F238-P242 HydrophobicContact CD2-CB 4.43Å; F238-P242 HydrophobicContact CD2-CG 4.13Å; F238-P242 HydrophobicContact CE2-CG 3.96Å
239	T	92.9	Very high	96.7	Very high	23 Å²	23	66.7 Å²	66.7	14%	0.141	32%	0.324	C	S	.	.	S	Bend	trans	-112.8	-104.3	167.5	58	0	0	0	0	109.3	P202 E203 L222 A241 V243	P202-T239 HydrophobicContact CB-CG2 4.41Å; E203-T239 VanDerWaalsContact CD-OG1 3.31Å; E203-T239 WeakPolarHBondContact CG-OG1 3.36Å; E203-T239 VanDerWaalsContact OE1-CB 3.3Å; E203-T239 WeakPolarHBondContact OE1-CB 3.36Å; E203-T239 PolarHBondContact OE1-OG1 3.41Å; L222-T239 HydrophobicContact CD2-CG2 3.78Å; L222-T239 HydrophobicContact CG-CG2 4.16Å; T239-A241 PolarHBondContact N-O 3.45Å; T239-A241 PolarHBondContact OG1-O 2.99Å; T239-V243 HydrophobicContact CG2-CG1 4Å; T239-V243 HydrophobicContact CG2-CG2 4.39Å
240	Y	90.9	Very high	96.7	Very high	139 Å²	139	68.5 Å²	68.5	55%	0.545	33%	0.333	S	S	.	.	S	Bend	trans	-93.5	-12.5	157.3	62.1	-97	0	0	0	111.5	E203 F238	E203-Y240 HydrophobicContact CG-CE1 3.82Å; E203-Y240 HydrophobicContact CG-CE2 4.11Å; E203-Y240 WeakPolarHBondContact OE1-CE1 3.47Å; F238-Y240 WeakPolarHBondContact CZ-O 3.38Å
241	A	94.3	Very high	96.6	Very high	28 Å²	28	72.6 Å²	72.6	23%	0.231	35%	0.351	C	S	.	.	S	Bend	trans	-133.8	162.8	175.2	0	0	0	0	0	109.9	E203 F238 T239 V243	E203-A241 HydrophobicContact CG-CB 4.34Å; F238-A241 WeakPolarHBondContact CA-O 3.45Å; T239-A241 PolarHBondContact N-O 3.45Å; T239-A241 PolarHBondContact OG1-O 2.99Å; A241-V243 PolarHBondContact O-N 2.96Å
242	P	97.2	Very high	96.6	Very high	103 Å²	103	78.4 Å²	78.4	67%	0.669	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-59.1	135.1	171.1	-22	33.8	0	0	0	111.2	F238	F238-P242 HydrophobicContact CD2-CB 4.43Å; F238-P242 HydrophobicContact CD2-CG 4.13Å; F238-P242 HydrophobicContact CE2-CG 3.96Å
243	V	98.1	Very high	96.7	Very high	16 Å²	16	78.7 Å²	78.7	10%	0.097	37%	0.371	C	S	.	.			trans	-127	160.6	178	-61.3	0	0	0	0	110.4	P202 E203 I236 R237 T239 A241 S245	P202-V243 HydrophobicContact CB-CB 4.2Å; P202-V243 HydrophobicContact CB-CG1 3.7Å; E203-V243 HydrophobicContact CG-CG1 4.03Å; I236-V243 HydrophobicContact CG2-CG2 4.49Å; R237-V243 VanDerWaalsContact C-CG2 3.45Å; R237-V243 PolarHBondContact O-N 3Å; T239-V243 HydrophobicContact CG2-CG1 4Å; T239-V243 HydrophobicContact CG2-CG2 4.39Å; A241-V243 PolarHBondContact O-N 2.96Å; V243-S245 PolarHBondContact O-N 2.78Å
244	K	97.6	Very high	96.8	Very high	76 Å²	76	75.3 Å²	75.3	33%	0.33	35%	0.35	S	S	.	.			trans	-64.4	124.8	-180	-58.9	-169.6	72.9	67	0	110.2	N207 W226 L247	N207-K244 WeakPolarHBondContact OD1-CE 3.49Å; W226-K244 HydrophobicContact CZ2-CB 4.49Å; W226-K244 PolarHBondContact NE1-O 2.96Å; K244-L247 HydrophobicContact CD-CD1 4.06Å
245	S	97.4	Very high	96.9	Very high	39 Å²	39	76.1 Å²	76.1	27%	0.273	35%	0.353	S	S	.	.	S	Bend	trans	-67.6	-38.7	172.7	56.2	0	0	0	0	111.9	A230 G234 V243	A230-S245 WeakPolarHBondContact CA-O 3.19Å; G234-S245 WeakPolarHBondContact CA-O 3.31Å; V243-S245 PolarHBondContact O-N 2.78Å
246	F	98	Very high	97	Very high	111 Å²	111	69 Å²	69	49%	0.487	32%	0.32	S	S	.	.	S	Bend	trans	-126.3	131.7	174.1	-65.2	-77.5	0	0	0	110	A230	A230-F246 WeakPolarHBondContact O-CA 3.48Å
247	L	98	Very high	97.1	Very high	10 Å²	10	67.3 Å²	67.3	5%	0.052	31%	0.311	C	S	.	.			trans	-109.9	122.5	178.7	-174.9	69.2	0	0	0	109.6	A205 K206 F214 W226 I227 A230 K244 V249	A205-L247 HydrophobicContact CB-CD1 4.29Å; K206-L247 WeakPolarHBondContact O-CD1 3.32Å; F214-L247 HydrophobicContact CD1-CD2 3.94Å; F214-L247 HydrophobicContact CE1-CD2 3.64Å; F214-L247 HydrophobicContact CZ-CD2 4.33Å; W226-L247 HydrophobicContact CH2-CD2 3.87Å; W226-L247 HydrophobicContact CZ3-CD2 4.49Å; I227-L247 HydrophobicContact CD1-CD2 3.79Å; A230-L247 HydrophobicContact CB-CB 3.96Å; A230-L247 PolarHBondContact O-N 3.03Å; A230-L247 VanDerWaalsContact O-N 3.08Å; K244-L247 HydrophobicContact CD-CD1 4.06Å; L247-V249 HydrophobicContact CD1-CG1 4.46Å; L247-V249 HydrophobicContact CD2-CG1 3.97Å; L247-V249 HydrophobicContact CD2-CG2 4.03Å; L247-V249 HydrophobicContact CG-CG1 3.91Å; L247-V249 HydrophobicContact CG-CG2 4.23Å; L247-V249 PolarHBondContact O-N 3.21Å
248	R	98.2	Very high	97.1	Very high	195 Å²	195	59.8 Å²	59.8	74%	0.736	28%	0.284	S	S	*	.			trans	-91.1	101.5	175	-59.4	-179.1	-178.1	170.9	-0.7	109.3	N207 L208	N207-R248 WeakPolarHBondContact CA-O 3.38Å; N207-R248 HydrophobicContact CB-CB 4.06Å; N207-R248 PolarHBondContact OD1-N 3.18Å; L208-R248 PolarHBondContact N-O 3.5Å
249	V	98.1	Very high	97.2	Very high	23 Å²	23	53.9 Å²	53.9	14%	0.139	26%	0.258	C	S	.	.	S	Bend	trans	-145.3	164	173.9	-65.9	0	0	0	0	108.4	L208 F214 L231 L247 K251 V254	L208-V249 HydrophobicContact CB-CG1 3.99Å; L208-V249 HydrophobicContact CD1-CG1 4.02Å; L208-V249 HydrophobicContact CG-CG1 4.05Å; F214-V249 HydrophobicContact CB-CB 4.42Å; F214-V249 HydrophobicContact CB-CG1 4.2Å; F214-V249 HydrophobicContact CD1-CG1 4.36Å; F214-V249 HydrophobicContact CD1-CG2 4.24Å; F214-V249 HydrophobicContact CG-CG1 4.37Å; L231-V249 HydrophobicContact CD2-CG2 3.62Å; L247-V249 HydrophobicContact CD1-CG1 4.46Å; L247-V249 HydrophobicContact CD2-CG1 3.97Å; L247-V249 HydrophobicContact CD2-CG2 4.03Å; L247-V249 HydrophobicContact CG-CG1 3.91Å; L247-V249 HydrophobicContact CG-CG2 4.23Å; L247-V249 PolarHBondContact O-N 3.21Å; V249-K251 PolarHBondContact O-N 3.44Å; V249-V254 HydrophobicContact CG2-CG2 4.01Å
250	D	97.9	Very high	97.5	Very high	46 Å²	46	53.8 Å²	53.8	25%	0.246	26%	0.26	C	S	.	.			trans	-77.6	116.4	170.3	-175.4	-4.6	0	0	0	109.8	A210 E252 K253 V254	A210-D250 HydrophobicContact CB-CB 4.4Å; A210-D250 WeakPolarHBondContact O-CB 3.37Å; D250-E252 PolarHBondContact O-N 3.29Å; D250-E252 PolarHBondContact OD1-N 2.94Å; D250-E252 VanDerWaalsContact OD1-N 3.14Å; D250-K253 HydrophobicContact CB-CB 4.31Å; D250-K253 HydrophobicContact CB-CD 4.34Å; D250-K253 HydrophobicContact CB-CG 4.34Å; D250-K253 CarbonylContact O-C 3.56Å; D250-K253 PolarHBondContact O-N 3.05Å; D250-K253 WeakPolarHBondContact OD2-CE 3.36Å; D250-K253 IonicContact OD2-NZ 3.7Å; D250-V254 WeakPolarHBondContact O-CG2 3.42Å
251	K	97.3	Very high	97.9	Very high	87 Å²	87	47.2 Å²	47.2	38%	0.378	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61.9	-33.4	-177	-64.9	-175.9	-178.2	-173.7	0	112.2	I134 P136 L231 V249 K253 V254	I134-K251 HydrophobicContact CG2-CD 4.28Å; P136-K251 WeakPolarHBondContact CD-O 3.43Å; L231-K251 HydrophobicContact CD1-CG 4.4Å; L231-K251 HydrophobicContact CD2-CG 4.31Å; L231-K251 WeakPolarHBondContact O-CE 3.4Å; L231-K251 PolarHBondContact O-NZ 3.44Å; V249-K251 PolarHBondContact O-N 3.44Å; K251-K253 PolarHBondContact O-N 3.32Å; K251-V254 PolarHBondContact O-N 3.34Å
252	E	97.8	Very high	98.1	Very high	135 Å²	135	45.9 Å²	45.9	63%	0.631	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-72.4	-8.4	179.4	-57.5	-52	139.2	0	0	112.4	P136 D250	P136-E252 WeakPolarHBondContact CG-O 3.35Å; D250-E252 PolarHBondContact O-N 3.29Å; D250-E252 PolarHBondContact OD1-N 2.94Å; D250-E252 VanDerWaalsContact OD1-N 3.14Å
253	K	97.8	Very high	98.1	Very high	68 Å²	68	42.4 Å²	42.4	30%	0.296	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-120.5	23.7	178.5	-57.3	-177.6	-175.6	164.4	0	112.6	A210 S213 F214 D250 K251 Q255	A210-K253 PolarHBondContact O-NZ 3.02Å; S213-K253 CarbonylContact C-O 3.56Å; S213-K253 WeakPolarHBondContact CA-O 3.5Å; F214-K253 PolarHBondContact N-O 3.2Å; D250-K253 HydrophobicContact CB-CB 4.31Å; D250-K253 HydrophobicContact CB-CD 4.34Å; D250-K253 HydrophobicContact CB-CG 4.34Å; D250-K253 CarbonylContact O-C 3.56Å; D250-K253 PolarHBondContact O-N 3.05Å; D250-K253 WeakPolarHBondContact OD2-CE 3.36Å; D250-K253 IonicContact OD2-NZ 3.7Å; K251-K253 PolarHBondContact O-N 3.32Å; K253-Q255 PolarHBondContact O-NE2 2.83Å
254	V	98.5	Very high	98.1	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.2	170.6	-179.6	0	0	0	0	109.7	V135 F214 L231 V249 D250 K251 I256	V135-V254 HydrophobicContact CB-CB 4.04Å; V135-V254 HydrophobicContact CB-CG1 4.39Å; V135-V254 HydrophobicContact CG1-CB 3.69Å; V135-V254 HydrophobicContact CG1-CG1 3.92Å; V135-V254 HydrophobicContact CG1-CG2 4.17Å; F214-V254 HydrophobicContact CB-CG2 4.37Å; F214-V254 HydrophobicContact CD1-CG1 4.1Å; F214-V254 HydrophobicContact CD1-CG2 4.12Å; F214-V254 CarbonylContact O-C 3.22Å; F214-V254 WeakPolarHBondContact O-CA 3.45Å; L231-V254 HydrophobicContact CD1-CG2 4.23Å; V249-V254 HydrophobicContact CG2-CG2 4.01Å; D250-V254 WeakPolarHBondContact O-CG2 3.42Å; K251-V254 PolarHBondContact O-N 3.34Å; V254-I256 HydrophobicContact CG1-CD1 4.18Å
255	Q	98.3	Very high	98.2	Very high	18 Å²	18	39 Å²	39	8%	0.084	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	152.5	169.7	-56.6	81	46.8	0	0	110	V96 P140 F214 V215 L216 K253	V96-Q255 HydrophobicContact CG1-CB 4.15Å; P140-Q255 HydrophobicContact CG-CG 4.16Å; F214-Q255 PolarHBondContact O-N 3.01Å; F214-Q255 PolarHBondContact O-OE1 3.22Å; V215-Q255 WeakPolarHBondContact CA-O 3.29Å; V215-Q255 HydrophobicContact CG1-CB 4.43Å; V215-Q255 HydrophobicContact CG2-CB 4.4Å; L216-Q255 PolarHBondContact N-O 2.84Å; K253-Q255 PolarHBondContact O-NE2 2.83Å
256	I	98.6	Very high	98.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.4	176.5	-47.9	-56.9	0	0	0	108	V96 W97 L131 F132 L216 P218 L224 V254	V96-I256 CarbonylContact C-O 3.51Å; V96-I256 WeakPolarHBondContact CA-O 3.22Å; W97-I256 HydrophobicContact CB-CB 4.1Å; W97-I256 HydrophobicContact CB-CG2 4.14Å; W97-I256 HydrophobicContact CE3-CG2 3.91Å; W97-I256 PolarHBondContact N-O 2.96Å; L131-I256 HydrophobicContact CD2-CD1 3.81Å; L131-I256 HydrophobicContact CD2-CG1 4.05Å; F132-I256 HydrophobicContact CE1-CG1 4.1Å; L216-I256 HydrophobicContact CB-CD1 4.02Å; L216-I256 HydrophobicContact CD2-CD1 3.99Å; P218-I256 HydrophobicContact CG-CG2 4.14Å; L224-I256 HydrophobicContact CD2-CG2 3.78Å; V254-I256 HydrophobicContact CG1-CD1 4.18Å
257	Y	98.6	Very high	98.3	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	132.6	176.1	-161	-75.3	0	0	0	109.9	F199 V215 L216 V217 P259 F261 F262 I265 L282 F286	F199-Y257 HydrophobicContact CD1-CD2 4.27Å; F199-Y257 HydrophobicContact CE1-CD2 4.09Å; F199-Y257 HydrophobicContact CE1-CE2 4.25Å; V215-Y257 HydrophobicContact CG1-CD2 4.34Å; L216-Y257 WeakPolarHBondContact O-CB 3.47Å; L216-Y257 PolarHBondContact O-N 3.12Å; V217-Y257 HydrophobicContact CG2-CD2 4.21Å; V217-Y257 HydrophobicContact CG2-CG 4.47Å; Y257-P259 WeakPolarHBondContact O-CD 3.49Å; Y257-F261 HydrophobicContact CE1-CB 4.48Å; Y257-F261 AromaticContact CE1-CD1 3.59Å; Y257-F261 HydrophobicContact CE1-CD1 3.59Å; Y257-F261 HydrophobicContact CE1-CE1 4.37Å; Y257-F261 HydrophobicContact CE1-CG 4.49Å; Y257-F261 HydrophobicContact CE2-CD1 4.43Å; Y257-F261 AromaticContact CZ-CD1 3.51Å; Y257-F261 AromaticContact CZ-CE1 3.84Å; Y257-F261 WeakPolarHBondContact OH-CD1 3.48Å; Y257-F261 WeakPolarHBondContact OH-CE1 3.36Å; Y257-F262 HydrophobicContact CE1-CB 4.18Å; Y257-I265 WeakPolarHBondContact OH-CD1 3.3Å; Y257-L282 HydrophobicContact CE1-CD2 4.2Å; Y257-L282 HydrophobicContact CE2-CB 4.01Å; Y257-L282 WeakPolarHBondContact OH-CA 3.45Å; Y257-L282 PolarHBondContact OH-O 2.84Å; Y257-F286 AromaticContact CD2-CD2 3.98Å; Y257-F286 HydrophobicContact CD2-CD2 3.98Å; Y257-F286 HydrophobicContact CE2-CB 4.07Å; Y257-F286 AromaticContact CE2-CD2 3.78Å; Y257-F286 HydrophobicContact CE2-CD2 3.78Å; Y257-F286 HydrophobicContact CE2-CG 4.39Å
258	N	98.4	Very high	98.3	Very high	7 Å²	7	40 Å²	40	4%	0.037	18%	0.179	C	C	.	.			trans	-77	122	-174.3	-174.3	-4.2	0	0	0	112.5	S94 P95 W97 A260 F261 F262	S94-N258 WeakPolarHBondContact O-CB 3.38Å; S94-N258 PolarHBondContact O-ND2 2.94Å; P95-N258 PolarHBondContact O-N 3.28Å; W97-N258 HydrophobicContact CB-CB 4.29Å; N258-A260 VanDerWaalsContact C-N 3.26Å; N258-A260 PolarHBondContact O-N 3.42Å; N258-A260 WeakPolarHBondContact OD1-CB 3.39Å; N258-A260 PolarHBondContact OD1-N 3.12Å; N258-F261 HydrophobicContact CB-CB 3.92Å; N258-F261 WeakPolarHBondContact O-CB 3.29Å; N258-F261 PolarHBondContact O-N 2.93Å; N258-F262 PolarHBondContact O-N 3.17Å
259	P	98.2	Very high	98.2	Very high	1 Å²	1	31 Å²	31	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-60.7	-29.1	174.1	-27.1	37.8	0	0	0	114.7	W97 L104 W112 Y257 F261 F262 K263	W97-P259 HydrophobicContact CD2-CG 4.26Å; W97-P259 HydrophobicContact CE3-CG 3.76Å; W97-P259 HydrophobicContact CH2-CG 3.68Å; W97-P259 HydrophobicContact CZ2-CG 4.2Å; W97-P259 HydrophobicContact CZ3-CG 3.44Å; W97-P259 VanDerWaalsContact CZ3-CG 3.44Å; L104-P259 HydrophobicContact CD1-CB 3.83Å; L104-P259 HydrophobicContact CD1-CG 4.08Å; L104-P259 HydrophobicContact CD2-CB 4.39Å; W112-P259 HydrophobicContact CB-CB 4.2Å; W112-P259 HydrophobicContact CD2-CB 4.28Å; W112-P259 HydrophobicContact CD2-CG 4.25Å; W112-P259 HydrophobicContact CG-CB 3.8Å; W112-P259 HydrophobicContact CG-CG 4.24Å; Y257-P259 WeakPolarHBondContact O-CD 3.49Å; P259-F261 VanDerWaalsContact C-N 3.34Å; P259-F262 WeakPolarHBondContact O-CB 3.1Å; P259-F262 PolarHBondContact O-N 3.34Å; P259-K263 PolarHBondContact O-N 3.44Å
260	A	98.4	Very high	98.2	Very high	21 Å²	21	29.9 Å²	29.9	17%	0.174	14%	0.138	C	C	.	.	H	α-helix	trans	-65.4	-40.5	172.5	0	0	0	0	0	111.3	L104 V108 N258 K263 Y264	L104-A260 HydrophobicContact CD2-CB 3.96Å; V108-A260 HydrophobicContact CG1-CB 4.13Å; N258-A260 VanDerWaalsContact C-N 3.26Å; N258-A260 PolarHBondContact O-N 3.42Å; N258-A260 WeakPolarHBondContact OD1-CB 3.39Å; N258-A260 PolarHBondContact OD1-N 3.12Å; A260-K263 PolarHBondContact O-N 3.4Å; A260-Y264 WeakPolarHBondContact O-CB 3.42Å; A260-Y264 PolarHBondContact O-N 2.88Å
261	F	98.7	Very high	98.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.6	-36.9	174.3	-172.4	-117.7	0	0	0	112.2	I93 P95 Y257 N258 P259 Y264 I265 F285 F286 H289	I93-F261 HydrophobicContact CB-CD2 4.36Å; I93-F261 HydrophobicContact CD1-CB 4.36Å; I93-F261 HydrophobicContact CD1-CD2 4.08Å; I93-F261 HydrophobicContact CG1-CB 4.4Å; I93-F261 HydrophobicContact CG1-CD2 3.99Å; I93-F261 HydrophobicContact CG2-CD2 3.56Å; I93-F261 HydrophobicContact CG2-CE2 3.75Å; P95-F261 HydrophobicContact CB-CD1 3.64Å; P95-F261 HydrophobicContact CB-CD2 4.48Å; P95-F261 HydrophobicContact CB-CE1 3.65Å; P95-F261 HydrophobicContact CB-CE2 4.48Å; P95-F261 HydrophobicContact CB-CG 4.09Å; P95-F261 HydrophobicContact CB-CZ 4.1Å; Y257-F261 HydrophobicContact CE1-CB 4.48Å; Y257-F261 AromaticContact CE1-CD1 3.59Å; Y257-F261 HydrophobicContact CE1-CD1 3.59Å; Y257-F261 HydrophobicContact CE1-CE1 4.37Å; Y257-F261 HydrophobicContact CE1-CG 4.49Å; Y257-F261 HydrophobicContact CE2-CD1 4.43Å; Y257-F261 AromaticContact CZ-CD1 3.51Å; Y257-F261 AromaticContact CZ-CE1 3.84Å; Y257-F261 WeakPolarHBondContact OH-CD1 3.48Å; Y257-F261 WeakPolarHBondContact OH-CE1 3.36Å; N258-F261 HydrophobicContact CB-CB 3.92Å; N258-F261 WeakPolarHBondContact O-CB 3.29Å; N258-F261 PolarHBondContact O-N 2.93Å; P259-F261 VanDerWaalsContact C-N 3.34Å; F261-Y264 AromaticContact CD2-CD1 3.7Å; F261-Y264 HydrophobicContact CD2-CD1 3.7Å; F261-Y264 HydrophobicContact CD2-CE1 4.29Å; F261-Y264 AromaticContact CE2-CD1 3.69Å; F261-Y264 HydrophobicContact CE2-CD1 3.69Å; F261-Y264 AromaticContact CE2-CE1 3.83Å; F261-Y264 HydrophobicContact CE2-CE1 3.83Å; F261-Y264 WeakPolarHBondContact O-CB 3.3Å; F261-Y264 PolarHBondContact O-N 2.96Å; F261-I265 HydrophobicContact CD1-CD1 3.91Å; F261-I265 HydrophobicContact CE1-CD1 3.65Å; F261-I265 HydrophobicContact CE1-CG1 4.43Å; F261-I265 HydrophobicContact CZ-CD1 4.07Å; F261-I265 HydrophobicContact CZ-CG1 4.42Å; F261-I265 WeakPolarHBondContact O-CG1 2.96Å; F261-I265 PolarHBondContact O-N 2.77Å; F261-F285 HydrophobicContact CE1-CB 4.31Å; F261-F285 HydrophobicContact CZ-CB 4.08Å; F261-F286 HydrophobicContact CE1-CB 4.49Å; F261-H289 HydrophobicContact CE2-CB 4.34Å; F261-H289 AromaticContact CE2-CD2 3.67Å; F261-H289 AromaticContact CE2-CE1 3.66Å; F261-H289 AromaticContact CE2-CG 3.64Å; F261-H289 AromaticContact CE2-ND1 3.64Å; F261-H289 AromaticContact CE2-NE2 3.67Å; F261-H289 HydrophobicContact CZ-CB 4.11Å; F261-H289 AromaticContact CZ-CE1 3.79Å; F261-H289 AromaticContact CZ-CG 3.65Å; F261-H289 AromaticContact CZ-ND1 3.41Å; F261-H289 WeakPolarHBondContact CZ-ND1 3.43Å
262	F	98.5	Very high	98.1	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-59.2	-50	172.3	-165.4	170.7	0	0	0	111.1	W111 L115 F219 Y257 N258 P259 Y264 I265 H266 Y276 P277 L282	W111-F262 HydrophobicContact CH2-CB 4.32Å; W111-F262 HydrophobicContact CH2-CD1 4.35Å; W111-F262 AromaticContact CH2-CD2 3.72Å; W111-F262 HydrophobicContact CH2-CD2 3.72Å; W111-F262 HydrophobicContact CH2-CE2 4.12Å; W111-F262 AromaticContact CH2-CG 3.85Å; W111-F262 HydrophobicContact CH2-CG 3.85Å; W111-F262 HydrophobicContact CZ3-CB 4.25Å; W111-F262 HydrophobicContact CZ3-CD1 4.46Å; W111-F262 HydrophobicContact CZ3-CD2 4.45Å; W111-F262 HydrophobicContact CZ3-CG 4.13Å; L115-F262 HydrophobicContact CD1-CD1 4.06Å; L115-F262 HydrophobicContact CD1-CE1 3.6Å; L115-F262 HydrophobicContact CD1-CZ 4.03Å; F219-F262 AromaticContact CD1-CE1 3.72Å; F219-F262 HydrophobicContact CD1-CE1 3.72Å; F219-F262 AromaticContact CD1-CZ 3.93Å; F219-F262 HydrophobicContact CD1-CZ 3.93Å; F219-F262 AromaticContact CE1-CE1 3.78Å; F219-F262 HydrophobicContact CE1-CE1 3.78Å; F219-F262 AromaticContact CE1-CZ 3.69Å; F219-F262 HydrophobicContact CE1-CZ 3.69Å; Y257-F262 HydrophobicContact CE1-CB 4.18Å; N258-F262 PolarHBondContact O-N 3.17Å; P259-F262 WeakPolarHBondContact O-CB 3.1Å; P259-F262 PolarHBondContact O-N 3.34Å; F262-Y264 VanDerWaalsContact C-N 3.34Å; F262-Y264 PolarHBondContact O-N 3.47Å; F262-I265 PolarHBondContact O-N 3.19Å; F262-H266 PolarHBondContact O-N 2.83Å; F262-Y276 AromaticContact CZ-CD2 3.96Å; F262-Y276 HydrophobicContact CZ-CD2 3.96Å; F262-Y276 HydrophobicContact CZ-CG 4.23Å; F262-P277 HydrophobicContact CD2-CG 4.26Å; F262-P277 HydrophobicContact CE2-CB 4.16Å; F262-P277 HydrophobicContact CE2-CG 3.97Å; F262-L282 HydrophobicContact CD1-CD1 4.41Å; F262-L282 HydrophobicContact CD2-CD1 4.13Å; F262-L282 HydrophobicContact CD2-CD2 3.41Å; F262-L282 VanDerWaalsContact CD2-CD2 3.41Å; F262-L282 HydrophobicContact CD2-CG 4.37Å; F262-L282 HydrophobicContact CE1-CD1 4.1Å; F262-L282 HydrophobicContact CE2-CD1 3.78Å; F262-L282 HydrophobicContact CE2-CD2 3.64Å; F262-L282 HydrophobicContact CE2-CG 4.19Å; F262-L282 HydrophobicContact CG-CD1 4.44Å; F262-L282 HydrophobicContact CG-CD2 4.07Å; F262-L282 HydrophobicContact CZ-CD1 3.79Å; F262-L282 HydrophobicContact CZ-CD2 4.47Å
263	K	98.4	Very high	98	Very high	30 Å²	30	30.6 Å²	30.6	13%	0.13	14%	0.141	C	C	.	.	H	α-helix	trans	-63.9	-38.9	177.5	-169.3	169.4	-177.4	-75.2	0	112.3	D107 V108 W111 P259 A260 I265 H266 D267	D107-K263 IonicContact OD2-NZ 2.73Å; D107-K263 PolarHBondContact OD2-NZ 2.76Å; D107-K263 VanDerWaalsContact OD2-NZ 3.12Å; V108-K263 HydrophobicContact CB-CD 4.17Å; V108-K263 HydrophobicContact CG1-CB 4.38Å; V108-K263 HydrophobicContact CG1-CD 4.36Å; V108-K263 HydrophobicContact CG2-CD 3.92Å; W111-K263 HydrophobicContact CB-CD 3.85Å; W111-K263 HydrophobicContact CD2-CB 4.13Å; W111-K263 HydrophobicContact CD2-CD 3.84Å; W111-K263 HydrophobicContact CD2-CG 3.83Å; W111-K263 HydrophobicContact CE3-CB 3.63Å; W111-K263 HydrophobicContact CE3-CD 3.93Å; W111-K263 HydrophobicContact CE3-CG 3.86Å; W111-K263 HydrophobicContact CG-CD 3.82Å; W111-K263 HydrophobicContact CG-CG 4.24Å; W111-K263 HydrophobicContact CH2-CB 4.17Å; W111-K263 HydrophobicContact CZ3-CB 3.65Å; W111-K263 HydrophobicContact CZ3-CG 4.27Å; P259-K263 PolarHBondContact O-N 3.44Å; A260-K263 PolarHBondContact O-N 3.4Å; K263-I265 VanDerWaalsContact C-N 3.32Å; K263-I265 PolarHBondContact O-N 3.4Å; K263-H266 WeakPolarHBondContact O-CB 3.35Å; K263-H266 PolarHBondContact O-N 3.29Å; K263-H266 VanDerWaalsContact O-N 3.12Å; K263-D267 WeakPolarHBondContact CE-OD2 3.28Å; K263-D267 WeakPolarHBondContact CG-OD2 3.48Å; K263-D267 IonicContact NZ-OD1 3.13Å; K263-D267 IonicContact NZ-OD2 4Å; K263-D267 PolarHBondContact NZ-OD2 2.87Å; K263-D267 WeakPolarHBondContact O-CB 3.44Å; K263-D267 PolarHBondContact O-N 3.29Å
264	Y	98.6	Very high	97.7	Very high	19 Å²	19	29 Å²	29	8%	0.075	14%	0.143	C	C	.	.	H	α-helix	trans	-56	-44.7	173.3	160.1	-101.8	0	0	0	112.5	H88 F89 D90 I93 A260 F261 F262 H266 D267 R268 W269 H289	H88-Y264 PolarHBondContact O-OH 2.91Å; F89-Y264 WeakPolarHBondContact CA-OH 3.36Å; D90-Y264 HydrophobicContact CB-CE2 3.82Å; D90-Y264 PolarHBondContact N-OH 3.16Å; I93-Y264 HydrophobicContact CD1-CD1 4.11Å; I93-Y264 HydrophobicContact CD1-CD2 4.2Å; I93-Y264 HydrophobicContact CD1-CG 3.62Å; I93-Y264 HydrophobicContact CG2-CD1 3.93Å; I93-Y264 HydrophobicContact CG2-CE1 3.98Å; I93-Y264 HydrophobicContact CG2-CG 4.24Å; A260-Y264 WeakPolarHBondContact O-CB 3.42Å; A260-Y264 PolarHBondContact O-N 2.88Å; F261-Y264 AromaticContact CD2-CD1 3.7Å; F261-Y264 HydrophobicContact CD2-CD1 3.7Å; F261-Y264 HydrophobicContact CD2-CE1 4.29Å; F261-Y264 AromaticContact CE2-CD1 3.69Å; F261-Y264 HydrophobicContact CE2-CD1 3.69Å; F261-Y264 AromaticContact CE2-CE1 3.83Å; F261-Y264 HydrophobicContact CE2-CE1 3.83Å; F261-Y264 WeakPolarHBondContact O-CB 3.3Å; F261-Y264 PolarHBondContact O-N 2.96Å; F262-Y264 VanDerWaalsContact C-N 3.34Å; F262-Y264 PolarHBondContact O-N 3.47Å; Y264-H266 VanDerWaalsContact C-N 3.34Å; Y264-D267 PolarHBondContact O-N 3.14Å; Y264-R268 HydrophobicContact CD2-CB 4.24Å; Y264-R268 HydrophobicContact CD2-CG 3.68Å; Y264-R268 HydrophobicContact CE2-CB 4.08Å; Y264-R268 HydrophobicContact CE2-CG 3.78Å; Y264-R268 VanDerWaalsContact O-CB 3.26Å; Y264-R268 WeakPolarHBondContact O-CB 2.94Å; Y264-R268 WeakPolarHBondContact O-CG 3.14Å; Y264-R268 PolarHBondContact O-N 2.86Å; Y264-W269 AromaticContact CE1-CD1 3.88Å; Y264-W269 AromaticContact CE1-NE1 3.32Å; Y264-W269 VanDerWaalsContact CE1-NE1 3.32Å; Y264-W269 AromaticContact CZ-CD1 3.93Å; Y264-W269 AromaticContact CZ-NE1 3.16Å; Y264-W269 PolarHBondContact OH-NE1 2.89Å; Y264-H289 AromaticContact CE1-CE1 3.8Å; Y264-H289 AromaticContact CE1-NE2 3.65Å
265	I	98.6	Very high	97.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-61.4	-46.6	174.5	-65	162.1	0	0	0	110.3	Y257 F261 F262 K263 D267 W269 T270 P277 M281 L282 F285	Y257-I265 WeakPolarHBondContact OH-CD1 3.3Å; F261-I265 HydrophobicContact CD1-CD1 3.91Å; F261-I265 HydrophobicContact CE1-CD1 3.65Å; F261-I265 HydrophobicContact CE1-CG1 4.43Å; F261-I265 HydrophobicContact CZ-CD1 4.07Å; F261-I265 HydrophobicContact CZ-CG1 4.42Å; F261-I265 WeakPolarHBondContact O-CG1 2.96Å; F261-I265 PolarHBondContact O-N 2.77Å; F262-I265 PolarHBondContact O-N 3.19Å; K263-I265 VanDerWaalsContact C-N 3.32Å; K263-I265 PolarHBondContact O-N 3.4Å; I265-D267 PolarHBondContact O-N 3.24Å; I265-W269 HydrophobicContact CG2-CB 4.42Å; I265-W269 WeakPolarHBondContact O-CA 3.44Å; I265-W269 WeakPolarHBondContact O-CB 3.39Å; I265-W269 PolarHBondContact O-N 3.13Å; I265-T270 HydrophobicContact CG2-CG2 4.4Å; I265-T270 PolarHBondContact O-N 3.17Å; I265-P277 HydrophobicContact CB-CG 4.31Å; I265-P277 HydrophobicContact CG2-CB 4.09Å; I265-P277 HydrophobicContact CG2-CG 3.69Å; I265-M281 HydrophobicContact CG2-CG 4.27Å; I265-L282 HydrophobicContact CD1-CD2 3.66Å; I265-F285 HydrophobicContact CB-CD2 4.34Å; I265-F285 HydrophobicContact CD1-CB 3.44Å; I265-F285 VanDerWaalsContact CD1-CB 3.44Å; I265-F285 HydrophobicContact CD1-CD2 4.18Å; I265-F285 HydrophobicContact CD1-CG 4.04Å; I265-F285 HydrophobicContact CG1-CB 3.75Å; I265-F285 HydrophobicContact CG1-CD2 3.94Å; I265-F285 HydrophobicContact CG1-CG 3.83Å; I265-F285 HydrophobicContact CG2-CD2 3.47Å; I265-F285 VanDerWaalsContact CG2-CD2 3.47Å; I265-F285 HydrophobicContact CG2-CE2 3.84Å; I265-F285 HydrophobicContact CG2-CG 4.24Å
266	H	98.3	Very high	97.3	Very high	13 Å²	13	35.1 Å²	35.1	6%	0.06	17%	0.165	C	C	.	.	I	π-helix	trans	-61.5	-43.6	-178.7	177.9	-108.7	0	0	0	113.3	W111 F262 K263 Y264 T270 E271 H272 P277	W111-H266 AromaticContact CE2-ND1 3.77Å; W111-H266 HydrophobicContact CH2-CB 4.22Å; W111-H266 HydrophobicContact CZ2-CB 3.67Å; W111-H266 AromaticContact CZ2-CG 3.65Å; W111-H266 AromaticContact CZ2-ND1 3.74Å; W111-H266 AromaticContact NE1-CE1 3.56Å; W111-H266 AromaticContact NE1-ND1 3.42Å; W111-H266 PolarHBondContact NE1-ND1 2.85Å; F262-H266 PolarHBondContact O-N 2.83Å; K263-H266 WeakPolarHBondContact O-CB 3.35Å; K263-H266 PolarHBondContact O-N 3.29Å; K263-H266 VanDerWaalsContact O-N 3.12Å; Y264-H266 VanDerWaalsContact C-N 3.34Å; H266-T270 VanDerWaalsContact CA-OG1 3.22Å; H266-T270 WeakPolarHBondContact CA-OG1 3.49Å; H266-T270 PolarHBondContact O-OG1 2.92Å; H266-E271 PolarHBondContact O-N 3.41Å; H266-H272 AromaticContact CE1-CG 3.89Å; H266-H272 AromaticContact CE1-ND1 3.12Å; H266-H272 PolarHBondContact CE1-ND1 3.04Å; H266-H272 AromaticContact ND1-ND1 3.28Å; H266-H272 PolarHBondContact ND1-ND1 2.86Å; H266-H272 WeakPolarHBondContact NE2-CA 3.44Å; H266-H272 AromaticContact NE2-ND1 3.98Å; H266-H272 PolarHBondContact O-N 2.98Å; H266-P277 HydrophobicContact CB-CG 4.06Å
267	D	98.3	Very high	97.1	Very high	47 Å²	47	35 Å²	35	25%	0.251	17%	0.165	S	C	.	.	I	π-helix	trans	-82.4	-40.9	-172.6	-66.3	0.2	0	0	0	112.1	K263 Y264 I265 H272	K263-D267 WeakPolarHBondContact CE-OD2 3.28Å; K263-D267 WeakPolarHBondContact CG-OD2 3.48Å; K263-D267 IonicContact NZ-OD1 3.13Å; K263-D267 IonicContact NZ-OD2 4Å; K263-D267 PolarHBondContact NZ-OD2 2.87Å; K263-D267 WeakPolarHBondContact O-CB 3.44Å; K263-D267 PolarHBondContact O-N 3.29Å; Y264-D267 PolarHBondContact O-N 3.14Å; I265-D267 PolarHBondContact O-N 3.24Å; D267-H272 IonicContact OD1-CE1 3.12Å; D267-H272 PolarHBondContact OD1-CE1 3.16Å; D267-H272 IonicContact OD1-ND1 3.07Å; D267-H272 PolarHBondContact OD1-ND1 2Å
268	R	97.9	Very high	97	Very high	123 Å²	123	35.2 Å²	35.2	46%	0.464	17%	0.166	S	C	.	.	I	π-helix	trans	-91.9	-42.4	-174.3	-58.3	-75.4	-80.3	-173.5	-5.1	111.3	S87 H88 Y264	S87-R268 PolarHBondContact O-NH2 2.85Å; H88-R268 PolarHBondContact CD2-O 2.94Å; H88-R268 PolarHBondContact NE2-O 3.43Å; Y264-R268 HydrophobicContact CD2-CB 4.24Å; Y264-R268 HydrophobicContact CD2-CG 3.68Å; Y264-R268 HydrophobicContact CE2-CB 4.08Å; Y264-R268 HydrophobicContact CE2-CG 3.78Å; Y264-R268 VanDerWaalsContact O-CB 3.26Å; Y264-R268 WeakPolarHBondContact O-CB 2.94Å; Y264-R268 WeakPolarHBondContact O-CG 3.14Å; Y264-R268 PolarHBondContact O-N 2.86Å
269	W	98.1	Very high	96.9	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.015	17%	0.167	C	C	.	.	I	π-helix	trans	-100.3	-46.7	-168.5	-63.4	88.7	0	0	0	113.1	W84 F85 H88 F89 Y264 I265 E271 F285 I334 L338	W84-W269 HydrophobicContact CH2-CE3 4.16Å; W84-W269 AromaticContact CH2-CZ3 3.77Å; W84-W269 HydrophobicContact CH2-CZ3 3.77Å; W84-W269 HydrophobicContact CZ2-CE3 4.14Å; W84-W269 HydrophobicContact CZ2-CZ3 4.06Å; W84-W269 HydrophobicContact CZ3-CZ3 4.28Å; F85-W269 AromaticContact CD2-CH2 3.57Å; F85-W269 HydrophobicContact CD2-CH2 3.57Å; F85-W269 HydrophobicContact CD2-CZ3 4.05Å; F85-W269 AromaticContact CE2-CH2 3.6Å; F85-W269 HydrophobicContact CE2-CH2 3.6Å; F85-W269 HydrophobicContact CE2-CZ2 4.47Å; F85-W269 HydrophobicContact CE2-CZ3 4.34Å; F85-W269 HydrophobicContact CG-CH2 4.34Å; F85-W269 HydrophobicContact CZ-CH2 4.39Å; H88-W269 HydrophobicContact CB-CD2 4.12Å; H88-W269 HydrophobicContact CB-CE3 4.06Å; H88-W269 HydrophobicContact CB-CH2 3.71Å; H88-W269 HydrophobicContact CB-CZ2 3.77Å; H88-W269 HydrophobicContact CB-CZ3 3.86Å; F89-W269 HydrophobicContact CB-CH2 4.32Å; F89-W269 HydrophobicContact CB-CZ2 4.05Å; F89-W269 HydrophobicContact CD2-CZ2 4.14Å; Y264-W269 AromaticContact CE1-CD1 3.88Å; Y264-W269 AromaticContact CE1-NE1 3.32Å; Y264-W269 VanDerWaalsContact CE1-NE1 3.32Å; Y264-W269 AromaticContact CZ-CD1 3.93Å; Y264-W269 AromaticContact CZ-NE1 3.16Å; Y264-W269 PolarHBondContact OH-NE1 2.89Å; I265-W269 HydrophobicContact CG2-CB 4.42Å; I265-W269 WeakPolarHBondContact O-CA 3.44Å; I265-W269 WeakPolarHBondContact O-CB 3.39Å; I265-W269 PolarHBondContact O-N 3.13Å; W269-E271 VanDerWaalsContact C-N 3.29Å; W269-F285 HydrophobicContact CB-CE1 4.15Å; W269-F285 HydrophobicContact CB-CE2 3.69Å; W269-F285 HydrophobicContact CB-CZ 3.43Å; W269-F285 VanDerWaalsContact CB-CZ 3.43Å; W269-F285 AromaticContact CD1-CE1 3.89Å; W269-F285 HydrophobicContact CD2-CD1 4.12Å; W269-F285 AromaticContact CD2-CE1 3.09Å; W269-F285 HydrophobicContact CD2-CE1 3.09Å; W269-F285 HydrophobicContact CD2-CE2 4.27Å; W269-F285 AromaticContact CD2-CZ 3.2Å; W269-F285 HydrophobicContact CD2-CZ 3.2Å; W269-F285 AromaticContact CE2-CD1 3.98Å; W269-F285 AromaticContact CE2-CE1 3.28Å; W269-F285 AromaticContact CE2-CZ 3.92Å; W269-F285 AromaticContact CE3-CE1 3.43Å; W269-F285 HydrophobicContact CE3-CE1 3.43Å; W269-F285 VanDerWaalsContact CE3-CE1 3.43Å; W269-F285 AromaticContact CE3-CZ 3.37Å; W269-F285 HydrophobicContact CE3-CZ 3.37Å; W269-F285 HydrophobicContact CG-CD1 4.25Å; W269-F285 AromaticContact CG-CE1 3.46Å; W269-F285 HydrophobicContact CG-CE1 3.46Å; W269-F285 VanDerWaalsContact CG-CE1 3.46Å; W269-F285 AromaticContact CG-CE2 3.89Å; W269-F285 HydrophobicContact CG-CE2 3.89Å; W269-F285 AromaticContact CG-CZ 3.26Å; W269-F285 HydrophobicContact CG-CZ 3.26Å; W269-F285 HydrophobicContact CH2-CE1 4.03Å; W269-F285 HydrophobicContact CZ2-CD1 4.42Å; W269-F285 AromaticContact CZ2-CE1 3.74Å; W269-F285 HydrophobicContact CZ2-CE1 3.74Å; W269-F285 AromaticContact CZ3-CE1 3.88Å; W269-F285 HydrophobicContact CZ3-CE1 3.88Å; W269-F285 HydrophobicContact CZ3-CZ 4.18Å; W269-F285 AromaticContact NE1-CE1 3.75Å; W269-I334 WeakPolarHBondContact O-CD1 3.4Å; W269-L338 HydrophobicContact CH2-CD2 4.47Å; W269-L338 HydrophobicContact CZ3-CD2 4Å
270	T	97.1	Very high	96.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	17%	0.172	C	C	.	.	S	Bend	trans	-84.9	-4.6	177.1	67.1	0	0	0	0	112.9	I265 H266 H272 H273 P277 M281 F330 I334	I265-T270 HydrophobicContact CG2-CG2 4.4Å; I265-T270 PolarHBondContact O-N 3.17Å; H266-T270 VanDerWaalsContact CA-OG1 3.22Å; H266-T270 WeakPolarHBondContact CA-OG1 3.49Å; H266-T270 PolarHBondContact O-OG1 2.92Å; T270-H272 PolarHBondContact O-N 3.45Å; T270-H273 VanDerWaalsContact O-CB 3.29Å; T270-H273 WeakPolarHBondContact O-CB 3.39Å; T270-H273 PolarHBondContact O-N 3.38Å; T270-H273 PolarHBondContact O-ND1 3.28Å; T270-P277 HydrophobicContact CG2-CB 4.27Å; T270-P277 HydrophobicContact CG2-CG 3.94Å; T270-M281 HydrophobicContact CG2-CG 4.22Å; T270-F330 VanDerWaalsContact C-CE1 3.43Å; T270-F330 WeakPolarHBondContact O-CE1 3.49Å; T270-I334 HydrophobicContact CG2-CD1 3.99Å
271	E	96.8	Very high	96.8	Very high	97 Å²	97	34.8 Å²	34.8	45%	0.453	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	40.6	179.1	-59.3	-178.8	-168.7	0	0	112.7	H266 W269 H273 F330	H266-E271 PolarHBondContact O-N 3.41Å; W269-E271 VanDerWaalsContact C-N 3.29Å; E271-H273 PolarHBondContact O-N 3.49Å; E271-H273 PolarHBondContact O-ND1 2.99Å; E271-F330 HydrophobicContact CB-CE1 4.38Å; E271-F330 HydrophobicContact CB-CZ 4.16Å; E271-F330 HydrophobicContact CG-CZ 4.26Å
272	H	96.3	Very high	96.8	Very high	115 Å²	115	34.8 Å²	34.8	53%	0.532	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	18.2	-176.2	-43.1	-68.5	0	0	0	116.8	H266 D267 T270	H266-H272 AromaticContact CE1-CG 3.89Å; H266-H272 AromaticContact CE1-ND1 3.12Å; H266-H272 PolarHBondContact CE1-ND1 3.04Å; H266-H272 AromaticContact ND1-ND1 3.28Å; H266-H272 PolarHBondContact ND1-ND1 2.86Å; H266-H272 WeakPolarHBondContact NE2-CA 3.44Å; H266-H272 AromaticContact NE2-ND1 3.98Å; H266-H272 PolarHBondContact O-N 2.98Å; D267-H272 IonicContact OD1-CE1 3.12Å; D267-H272 PolarHBondContact OD1-CE1 3.16Å; D267-H272 IonicContact OD1-ND1 3.07Å; D267-H272 PolarHBondContact OD1-ND1 2Å; T270-H272 PolarHBondContact O-N 3.45Å
273	H	95.4	Very high	96.8	Very high	71 Å²	71	34.8 Å²	34.8	33%	0.329	16%	0.164	S	C	.	.			trans	-72.4	130.2	171.4	-69.8	76.9	0	0	0	111.1	T270 E271 D327 F330	T270-H273 VanDerWaalsContact O-CB 3.29Å; T270-H273 WeakPolarHBondContact O-CB 3.39Å; T270-H273 PolarHBondContact O-N 3.38Å; T270-H273 PolarHBondContact O-ND1 3.28Å; E271-H273 PolarHBondContact O-N 3.49Å; E271-H273 PolarHBondContact O-ND1 2.99Å; H273-D327 HydrophobicContact CB-CB 3.78Å; H273-D327 IonicContact CD2-OD2 3.43Å; H273-F330 HydrophobicContact CB-CB 3.95Å; H273-F330 HydrophobicContact CB-CD1 3.83Å; H273-F330 HydrophobicContact CB-CD2 4.36Å; H273-F330 HydrophobicContact CB-CE1 4.46Å; H273-F330 HydrophobicContact CB-CG 3.78Å; H273-F330 AromaticContact CD2-CD2 3.67Å; H273-F330 AromaticContact CD2-CG 3.95Å; H273-F330 AromaticContact CE1-CD2 3.77Å; H273-F330 AromaticContact CE1-CE2 3.4Å; H273-F330 VanDerWaalsContact CE1-CE2 3.4Å; H273-F330 WeakPolarHBondContact CE1-CE2 3.47Å; H273-F330 AromaticContact CE1-CZ 3.73Å; H273-F330 AromaticContact CG-CD1 3.87Å; H273-F330 AromaticContact CG-CD2 3.68Å; H273-F330 AromaticContact CG-CG 3.61Å; H273-F330 AromaticContact ND1-CD1 3.89Å; H273-F330 AromaticContact ND1-CD2 3.74Å; H273-F330 AromaticContact ND1-CE1 3.73Å; H273-F330 AromaticContact ND1-CE2 3.56Å; H273-F330 AromaticContact ND1-CG 3.91Å; H273-F330 AromaticContact ND1-CZ 3.55Å; H273-F330 AromaticContact NE2-CD2 3.75Å; H273-F330 AromaticContact NE2-CE2 3.77Å
274	G	92.4	Very high	96.9	Very high	33 Å²	33	33.3 Å²	33.3	34%	0.34	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	75.6	-178.8	-168.2	0	0	0	0	0	112.6
275	R	92.6	Very high	96.9	Very high	129 Å²	129	32.4 Å²	32.4	49%	0.487	15%	0.154	S	C	.	.	S	Bend	trans	-77.7	-35.7	176.4	-168.7	-175.7	171.3	139.7	3.9	111.8	M114 L115 V325	M114-R275 PolarHBondContact O-NH2 3.46Å; L115-R275 VanDerWaalsContact O-CZ 3.27Å; L115-R275 PolarHBondContact O-NE 3.44Å; L115-R275 VanDerWaalsContact O-NE 3.11Å; L115-R275 PolarHBondContact O-NH2 3.07Å; R275-V325 HydrophobicContact CB-CG1 4.4Å; R275-V325 WeakPolarHBondContact CB-O 3.44Å; R275-V325 PolarHBondContact N-O 3.42Å
276	Y	94.4	Very high	96.9	Very high	22 Å²	22	32.4 Å²	32.4	9%	0.086	15%	0.154	C	C	.	.	S	Bend	trans	-165.3	159	174	45.8	-94.6	0	0	0	110.1	L115 Q116 F219 F262 V325 H326	L115-Y276 HydrophobicContact CB-CD1 4.3Å; L115-Y276 HydrophobicContact CB-CE1 4.44Å; L115-Y276 HydrophobicContact CD2-CD1 3.76Å; L115-Y276 HydrophobicContact CD2-CG 4.11Å; Q116-Y276 PolarHBondContact NE2-OH 3.39Å; F219-Y276 HydrophobicContact CD1-CD2 4.2Å; F219-Y276 AromaticContact CD1-CE2 3.82Å; F219-Y276 HydrophobicContact CD1-CE2 3.82Å; F219-Y276 HydrophobicContact CE1-CD2 4.02Å; F219-Y276 AromaticContact CE1-CE2 3.77Å; F219-Y276 HydrophobicContact CE1-CE2 3.77Å; F262-Y276 AromaticContact CZ-CD2 3.96Å; F262-Y276 HydrophobicContact CZ-CD2 3.96Å; F262-Y276 HydrophobicContact CZ-CG 4.23Å; Y276-V325 HydrophobicContact CD1-CG1 4.3Å; Y276-V325 HydrophobicContact CD2-CG1 4.29Å; Y276-V325 HydrophobicContact CE1-CG1 3.69Å; Y276-V325 HydrophobicContact CE2-CG1 3.69Å; Y276-V325 WeakPolarHBondContact OH-CG1 3.07Å; Y276-H326 AromaticContact CD2-CE1 3.47Å; Y276-H326 VanDerWaalsContact CD2-CE1 3.47Å; Y276-H326 WeakPolarHBondContact CD2-CE1 3.46Å; Y276-H326 AromaticContact CD2-ND1 3.93Å; Y276-H326 AromaticContact CE2-CE1 3.38Å; Y276-H326 WeakPolarHBondContact CE2-CE1 3.45Å; Y276-H326 PolarHBondContact O-ND1 3.41Å
277	P	96.1	Very high	96.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.151	C	C	.	.			trans	-57.6	146.9	175.6	-24.2	24.9	0	0	0	114.5	F262 I265 H266 T270 M281 L282 H326	F262-P277 HydrophobicContact CD2-CG 4.26Å; F262-P277 HydrophobicContact CE2-CB 4.16Å; F262-P277 HydrophobicContact CE2-CG 3.97Å; I265-P277 HydrophobicContact CB-CG 4.31Å; I265-P277 HydrophobicContact CG2-CB 4.09Å; I265-P277 HydrophobicContact CG2-CG 3.69Å; H266-P277 HydrophobicContact CB-CG 4.06Å; T270-P277 HydrophobicContact CG2-CB 4.27Å; T270-P277 HydrophobicContact CG2-CG 3.94Å; P277-M281 HydrophobicContact CB-CB 4.14Å; P277-M281 HydrophobicContact CB-CG 4.17Å; P277-L282 HydrophobicContact CB-CD2 3.93Å; P277-L282 HydrophobicContact CB-CG 4.29Å; P277-L282 HydrophobicContact CG-CD2 4.37Å; P277-H326 PolarHBondContact O-CE1 2.9Å
278	S	95.9	Very high	96.8	Very high	6 Å²	6	29.6 Å²	29.6	4%	0.042	14%	0.139	C	C	.	.			trans	-68.2	158.9	173.6	79.7	0	0	0	0	112.2	G280 M281 L282 H326 E331	S278-G280 PolarHBondContact O-N 3.47Å; S278-G280 PolarHBondContact OG-N 2.83Å; S278-M281 PolarHBondContact O-N 2.91Å; S278-M281 VanDerWaalsContact O-N 3.08Å; S278-M281 PolarHBondContact OG-N 3.09Å; S278-L282 WeakPolarHBondContact O-CG 3.41Å; S278-L282 PolarHBondContact O-N 3.13Å; S278-H326 PolarHBondContact N-ND1 2.69Å; S278-E331 WeakPolarHBondContact CB-OE1 3.38Å; S278-E331 WeakPolarHBondContact CB-OE2 3.27Å; S278-E331 PolarHBondContact N-OE1 2.84Å; S278-E331 PolarHBondContact OG-OE1 3.04Å; S278-E331 PolarHBondContact OG-OE2 2.95Å
279	T	96.5	Very high	96.8	Very high	9 Å²	9	24.2 Å²	24.2	6%	0.055	12%	0.119	C	C	.	.	H	α-helix	trans	-55.6	-37.9	173.9	-48.6	0	0	0	0	111.6	M179 M281 L282 V283	M179-T279 HydrophobicContact CB-CG2 4.02Å; M179-T279 HydrophobicContact SD-CG2 4.37Å; T279-M281 PolarHBondContact O-N 3.15Å; T279-L282 PolarHBondContact O-N 3.22Å; T279-V283 HydrophobicContact CG2-CG2 4.31Å; T279-V283 VanDerWaalsContact O-CG2 3.32Å; T279-V283 WeakPolarHBondContact O-CG2 3.36Å; T279-V283 PolarHBondContact O-N 3.39Å
280	G	97	Very high	96.7	Very high	10 Å²	10	24 Å²	24	10%	0.103	12%	0.119	C	C	.	.	H	α-helix	trans	-58.8	-46.2	176	0	0	0	0	0	112.6	M179 S278 V283 L284 F299	M179-G280 WeakPolarHBondContact SD-CA 3.41Å; S278-G280 PolarHBondContact O-N 3.47Å; S278-G280 PolarHBondContact OG-N 2.83Å; G280-V283 PolarHBondContact O-N 2.88Å; G280-L284 WeakPolarHBondContact O-CB 3.41Å; G280-L284 PolarHBondContact O-N 2.87Å; G280-F299 WeakPolarHBondContact O-CE1 3.41Å
281	M	97.6	Very high	96.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-41	177.6	-166.9	73	-83.2	0	0	111.7	I265 T270 P277 S278 T279 L284 F285 E331 I334	I265-M281 HydrophobicContact CG2-CG 4.27Å; T270-M281 HydrophobicContact CG2-CG 4.22Å; P277-M281 HydrophobicContact CB-CB 4.14Å; P277-M281 HydrophobicContact CB-CG 4.17Å; S278-M281 PolarHBondContact O-N 2.91Å; S278-M281 VanDerWaalsContact O-N 3.08Å; S278-M281 PolarHBondContact OG-N 3.09Å; T279-M281 PolarHBondContact O-N 3.15Å; M281-L284 HydrophobicContact CE-CB 3.95Å; M281-L284 HydrophobicContact CE-CD2 3.67Å; M281-L284 HydrophobicContact CE-CG 4Å; M281-L284 PolarHBondContact O-N 3.24Å; M281-F285 HydrophobicContact CE-CD2 3.4Å; M281-F285 VanDerWaalsContact CE-CD2 3.4Å; M281-F285 HydrophobicContact CE-CE2 3.09Å; M281-F285 HydrophobicContact CE-CG 4.46Å; M281-F285 HydrophobicContact CE-CZ 3.93Å; M281-F285 HydrophobicContact CG-CD2 3.94Å; M281-F285 HydrophobicContact CG-CE2 3.88Å; M281-F285 WeakPolarHBondContact O-CD2 3.25Å; M281-F285 PolarHBondContact O-N 3Å; M281-F285 HydrophobicContact SD-CD2 4.18Å; M281-F285 HydrophobicContact SD-CE2 3.63Å; M281-E331 HydrophobicContact CB-CG 4.3Å; M281-E331 HydrophobicContact CG-CG 4.2Å; M281-E331 HydrophobicContact SD-CB 4.28Å; M281-E331 HydrophobicContact SD-CG 4.07Å; M281-I334 HydrophobicContact CE-CG2 4.48Å; M281-I334 HydrophobicContact SD-CD1 4.3Å; M281-I334 HydrophobicContact SD-CG2 4.39Å
282	L	98.7	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.5	-45.8	176.1	-63.6	179.6	0	0	0	112.5	V217 Y257 F262 I265 P277 S278 T279 F285 F286	V217-L282 HydrophobicContact CG1-CD1 3.63Å; Y257-L282 HydrophobicContact CE1-CD2 4.2Å; Y257-L282 HydrophobicContact CE2-CB 4.01Å; Y257-L282 WeakPolarHBondContact OH-CA 3.45Å; Y257-L282 PolarHBondContact OH-O 2.84Å; F262-L282 HydrophobicContact CD1-CD1 4.41Å; F262-L282 HydrophobicContact CD2-CD1 4.13Å; F262-L282 HydrophobicContact CD2-CD2 3.41Å; F262-L282 VanDerWaalsContact CD2-CD2 3.41Å; F262-L282 HydrophobicContact CD2-CG 4.37Å; F262-L282 HydrophobicContact CE1-CD1 4.1Å; F262-L282 HydrophobicContact CE2-CD1 3.78Å; F262-L282 HydrophobicContact CE2-CD2 3.64Å; F262-L282 HydrophobicContact CE2-CG 4.19Å; F262-L282 HydrophobicContact CG-CD1 4.44Å; F262-L282 HydrophobicContact CG-CD2 4.07Å; F262-L282 HydrophobicContact CZ-CD1 3.79Å; F262-L282 HydrophobicContact CZ-CD2 4.47Å; I265-L282 HydrophobicContact CD1-CD2 3.66Å; P277-L282 HydrophobicContact CB-CD2 3.93Å; P277-L282 HydrophobicContact CB-CG 4.29Å; P277-L282 HydrophobicContact CG-CD2 4.37Å; S278-L282 WeakPolarHBondContact O-CG 3.41Å; S278-L282 PolarHBondContact O-N 3.13Å; T279-L282 PolarHBondContact O-N 3.22Å; L282-F285 PolarHBondContact O-N 3.19Å; L282-F286 WeakPolarHBondContact O-CB 3.33Å; L282-F286 PolarHBondContact O-N 3.31Å
283	V	98.8	Very high	96.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.9	-39.7	177.6	-177.2	0	0	0	0	111.4	V154 M177 M179 F199 T279 G280 F286 A287	V154-V283 HydrophobicContact CG1-CB 4.34Å; V154-V283 HydrophobicContact CG1-CG1 3.81Å; M177-V283 HydrophobicContact CB-CG1 3.7Å; M177-V283 HydrophobicContact SD-CG1 4.26Å; M179-V283 HydrophobicContact CB-CG2 4.21Å; M179-V283 HydrophobicContact CE-CB 3.7Å; M179-V283 HydrophobicContact CE-CG1 4Å; M179-V283 HydrophobicContact CE-CG2 3.8Å; M179-V283 HydrophobicContact SD-CG2 4.35Å; F199-V283 HydrophobicContact CB-CG2 3.57Å; F199-V283 HydrophobicContact CD1-CG2 3.67Å; F199-V283 HydrophobicContact CD2-CB 4.35Å; F199-V283 HydrophobicContact CD2-CG1 3.76Å; F199-V283 HydrophobicContact CD2-CG2 3.62Å; F199-V283 HydrophobicContact CE1-CG2 4.21Å; F199-V283 HydrophobicContact CE2-CG1 3.69Å; F199-V283 HydrophobicContact CE2-CG2 4.21Å; F199-V283 HydrophobicContact CG-CB 4.42Å; F199-V283 HydrophobicContact CG-CG1 4.31Å; F199-V283 HydrophobicContact CG-CG2 3.33Å; F199-V283 HydrophobicContact CZ-CG1 4.14Å; F199-V283 HydrophobicContact CZ-CG2 4.47Å; T279-V283 HydrophobicContact CG2-CG2 4.31Å; T279-V283 VanDerWaalsContact O-CG2 3.32Å; T279-V283 WeakPolarHBondContact O-CG2 3.36Å; T279-V283 PolarHBondContact O-N 3.39Å; G280-V283 PolarHBondContact O-N 2.88Å; V283-F286 WeakPolarHBondContact O-CB 3.43Å; V283-F286 PolarHBondContact O-N 3.43Å; V283-A287 PolarHBondContact O-N 3.37Å
284	L	98.8	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-59.3	-52.3	176.1	177.9	51.3	0	0	0	110.8	V154 G280 M281 F286 A287 L288 V294 V296 I335 L338 I344	V154-L284 HydrophobicContact CG2-CD1 4.39Å; G280-L284 WeakPolarHBondContact O-CB 3.41Å; G280-L284 PolarHBondContact O-N 2.87Å; M281-L284 HydrophobicContact CE-CB 3.95Å; M281-L284 HydrophobicContact CE-CD2 3.67Å; M281-L284 HydrophobicContact CE-CG 4Å; M281-L284 PolarHBondContact O-N 3.24Å; L284-F286 VanDerWaalsContact C-N 3.32Å; L284-F286 PolarHBondContact O-N 2.93Å; L284-A287 WeakPolarHBondContact O-CA 3.49Å; L284-A287 WeakPolarHBondContact O-CB 3.46Å; L284-A287 PolarHBondContact O-N 3.16Å; L284-L288 HydrophobicContact CD1-CD2 4.07Å; L284-L288 HydrophobicContact CD1-CG 4.48Å; L284-L288 WeakPolarHBondContact O-CG 3.28Å; L284-L288 PolarHBondContact O-N 3.4Å; L284-V294 HydrophobicContact CD1-CG1 3.88Å; L284-V296 HydrophobicContact CD1-CG2 3.57Å; L284-V296 HydrophobicContact CD2-CG2 4.41Å; L284-I335 HydrophobicContact CD2-CD1 4.35Å; L284-I335 HydrophobicContact CD2-CG1 3.82Å; L284-L338 HydrophobicContact CD2-CD1 4.17Å; L284-I344 HydrophobicContact CD1-CG2 4.32Å; L284-I344 HydrophobicContact CD2-CD1 4.29Å
285	F	98.6	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.2	-35	179.4	-84.2	-66.5	0	0	0	113.4	F261 I265 W269 M281 L282 A287 L288 H289 I334	F261-F285 HydrophobicContact CE1-CB 4.31Å; F261-F285 HydrophobicContact CZ-CB 4.08Å; I265-F285 HydrophobicContact CB-CD2 4.34Å; I265-F285 HydrophobicContact CD1-CB 3.44Å; I265-F285 VanDerWaalsContact CD1-CB 3.44Å; I265-F285 HydrophobicContact CD1-CD2 4.18Å; I265-F285 HydrophobicContact CD1-CG 4.04Å; I265-F285 HydrophobicContact CG1-CB 3.75Å; I265-F285 HydrophobicContact CG1-CD2 3.94Å; I265-F285 HydrophobicContact CG1-CG 3.83Å; I265-F285 HydrophobicContact CG2-CD2 3.47Å; I265-F285 VanDerWaalsContact CG2-CD2 3.47Å; I265-F285 HydrophobicContact CG2-CE2 3.84Å; I265-F285 HydrophobicContact CG2-CG 4.24Å; W269-F285 HydrophobicContact CB-CE1 4.15Å; W269-F285 HydrophobicContact CB-CE2 3.69Å; W269-F285 HydrophobicContact CB-CZ 3.43Å; W269-F285 VanDerWaalsContact CB-CZ 3.43Å; W269-F285 AromaticContact CD1-CE1 3.89Å; W269-F285 HydrophobicContact CD2-CD1 4.12Å; W269-F285 AromaticContact CD2-CE1 3.09Å; W269-F285 HydrophobicContact CD2-CE1 3.09Å; W269-F285 HydrophobicContact CD2-CE2 4.27Å; W269-F285 AromaticContact CD2-CZ 3.2Å; W269-F285 HydrophobicContact CD2-CZ 3.2Å; W269-F285 AromaticContact CE2-CD1 3.98Å; W269-F285 AromaticContact CE2-CE1 3.28Å; W269-F285 AromaticContact CE2-CZ 3.92Å; W269-F285 AromaticContact CE3-CE1 3.43Å; W269-F285 HydrophobicContact CE3-CE1 3.43Å; W269-F285 VanDerWaalsContact CE3-CE1 3.43Å; W269-F285 AromaticContact CE3-CZ 3.37Å; W269-F285 HydrophobicContact CE3-CZ 3.37Å; W269-F285 HydrophobicContact CG-CD1 4.25Å; W269-F285 AromaticContact CG-CE1 3.46Å; W269-F285 HydrophobicContact CG-CE1 3.46Å; W269-F285 VanDerWaalsContact CG-CE1 3.46Å; W269-F285 AromaticContact CG-CE2 3.89Å; W269-F285 HydrophobicContact CG-CE2 3.89Å; W269-F285 AromaticContact CG-CZ 3.26Å; W269-F285 HydrophobicContact CG-CZ 3.26Å; W269-F285 HydrophobicContact CH2-CE1 4.03Å; W269-F285 HydrophobicContact CZ2-CD1 4.42Å; W269-F285 AromaticContact CZ2-CE1 3.74Å; W269-F285 HydrophobicContact CZ2-CE1 3.74Å; W269-F285 AromaticContact CZ3-CE1 3.88Å; W269-F285 HydrophobicContact CZ3-CE1 3.88Å; W269-F285 HydrophobicContact CZ3-CZ 4.18Å; W269-F285 AromaticContact NE1-CE1 3.75Å; M281-F285 HydrophobicContact CE-CD2 3.4Å; M281-F285 VanDerWaalsContact CE-CD2 3.4Å; M281-F285 HydrophobicContact CE-CE2 3.09Å; M281-F285 HydrophobicContact CE-CG 4.46Å; M281-F285 HydrophobicContact CE-CZ 3.93Å; M281-F285 HydrophobicContact CG-CD2 3.94Å; M281-F285 HydrophobicContact CG-CE2 3.88Å; M281-F285 WeakPolarHBondContact O-CD2 3.25Å; M281-F285 PolarHBondContact O-N 3Å; M281-F285 HydrophobicContact SD-CD2 4.18Å; M281-F285 HydrophobicContact SD-CE2 3.63Å; L282-F285 PolarHBondContact O-N 3.19Å; F285-A287 VanDerWaalsContact C-N 3.3Å; F285-A287 PolarHBondContact O-N 2.97Å; F285-L288 HydrophobicContact CD1-CD1 3.69Å; F285-L288 HydrophobicContact CD1-CG 4.45Å; F285-L288 HydrophobicContact CE1-CD1 3.71Å; F285-L288 PolarHBondContact O-N 3.02Å; F285-H289 PolarHBondContact O-N 2.77Å; F285-H289 VanDerWaalsContact O-N 3.13Å; F285-H289 PolarHBondContact O-ND1 3.33Å; F285-I334 HydrophobicContact CE2-CG2 4.45Å; F285-I334 HydrophobicContact CZ-CG2 4.05Å
286	F	98.8	Very high	97.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-55.3	-49.5	170	-173	-77	0	0	0	110.5	P95 V96 Y141 M177 F199 V215 Y257 F261 L282 V283 L284 L288 H289 V290	P95-F286 HydrophobicContact CB-CD2 3.61Å; P95-F286 HydrophobicContact CB-CE2 3.88Å; P95-F286 HydrophobicContact CB-CG 4.29Å; P95-F286 HydrophobicContact CG-CD2 4.33Å; P95-F286 HydrophobicContact CG-CE2 4.25Å; V96-F286 HydrophobicContact CG1-CE2 3.83Å; V96-F286 HydrophobicContact CG1-CZ 4.11Å; Y141-F286 HydrophobicContact CD2-CZ 4.24Å; Y141-F286 AromaticContact CE2-CE1 3.99Å; Y141-F286 HydrophobicContact CE2-CE1 3.99Å; Y141-F286 HydrophobicContact CE2-CE2 4.41Å; Y141-F286 AromaticContact CE2-CZ 3.41Å; Y141-F286 HydrophobicContact CE2-CZ 3.41Å; Y141-F286 VanDerWaalsContact CE2-CZ 3.41Å; Y141-F286 AromaticContact CZ-CE1 3.93Å; Y141-F286 AromaticContact CZ-CZ 3.72Å; M177-F286 HydrophobicContact CE-CD1 4.08Å; M177-F286 HydrophobicContact CE-CE1 4.25Å; M177-F286 HydrophobicContact SD-CD1 4.01Å; F199-F286 HydrophobicContact CE1-CB 4.16Å; F199-F286 HydrophobicContact CE1-CD1 4.15Å; F199-F286 AromaticContact CE1-CD2 3.74Å; F199-F286 HydrophobicContact CE1-CD2 3.74Å; F199-F286 HydrophobicContact CE1-CE1 4.45Å; F199-F286 HydrophobicContact CE1-CE2 4.09Å; F199-F286 AromaticContact CE1-CG 3.76Å; F199-F286 HydrophobicContact CE1-CG 3.76Å; F199-F286 HydrophobicContact CE1-CZ 4.4Å; F199-F286 HydrophobicContact CZ-CB 4.19Å; F199-F286 AromaticContact CZ-CD1 3.57Å; F199-F286 HydrophobicContact CZ-CD1 3.57Å; F199-F286 HydrophobicContact CZ-CD2 4.02Å; F199-F286 AromaticContact CZ-CE1 3.81Å; F199-F286 HydrophobicContact CZ-CE1 3.81Å; F199-F286 HydrophobicContact CZ-CE2 4.25Å; F199-F286 AromaticContact CZ-CG 3.67Å; F199-F286 HydrophobicContact CZ-CG 3.67Å; F199-F286 HydrophobicContact CZ-CZ 4.13Å; V215-F286 HydrophobicContact CG1-CE2 4.31Å; Y257-F286 AromaticContact CD2-CD2 3.98Å; Y257-F286 HydrophobicContact CD2-CD2 3.98Å; Y257-F286 HydrophobicContact CE2-CB 4.07Å; Y257-F286 AromaticContact CE2-CD2 3.78Å; Y257-F286 HydrophobicContact CE2-CD2 3.78Å; Y257-F286 HydrophobicContact CE2-CG 4.39Å; F261-F286 HydrophobicContact CE1-CB 4.49Å; L282-F286 WeakPolarHBondContact O-CB 3.33Å; L282-F286 PolarHBondContact O-N 3.31Å; V283-F286 WeakPolarHBondContact O-CB 3.43Å; V283-F286 PolarHBondContact O-N 3.43Å; L284-F286 VanDerWaalsContact C-N 3.32Å; L284-F286 PolarHBondContact O-N 2.93Å; F286-L288 PolarHBondContact O-N 2.91Å; F286-H289 CarbonylContact O-C 3.6Å; F286-H289 PolarHBondContact O-N 3.36Å; F286-V290 HydrophobicContact CD1-CG1 4.14Å; F286-V290 HydrophobicContact CD1-CG2 3.75Å; F286-V290 HydrophobicContact CE1-CB 4.41Å; F286-V290 HydrophobicContact CE1-CG1 3.86Å; F286-V290 HydrophobicContact CE1-CG2 3.68Å; F286-V290 HydrophobicContact CZ-CG1 4.3Å; F286-V290 WeakPolarHBondContact O-CG2 3.43Å; F286-V290 PolarHBondContact O-N 3.36Å; F286-V290 VanDerWaalsContact O-N 3.09Å
287	A	98.5	Very high	97.5	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-59.6	-43.8	177.7	0	0	0	0	0	112.2	V154 M177 V283 L284 F285 H289 V290 C291 V294	V154-A287 HydrophobicContact CG2-CB 3.45Å; V154-A287 VanDerWaalsContact CG2-CB 3.45Å; M177-A287 HydrophobicContact CE-CB 4.11Å; M177-A287 HydrophobicContact SD-CB 3.76Å; V283-A287 PolarHBondContact O-N 3.37Å; L284-A287 WeakPolarHBondContact O-CA 3.49Å; L284-A287 WeakPolarHBondContact O-CB 3.46Å; L284-A287 PolarHBondContact O-N 3.16Å; F285-A287 VanDerWaalsContact C-N 3.3Å; F285-A287 PolarHBondContact O-N 2.97Å; A287-H289 PolarHBondContact O-N 2.94Å; A287-H289 VanDerWaalsContact O-N 3.16Å; A287-V290 PolarHBondContact O-N 3.12Å; A287-V290 VanDerWaalsContact O-N 3.13Å; A287-C291 WeakPolarHBondContact O-CB 3.26Å; A287-C291 PolarHBondContact O-N 3.45Å; A287-C291 PolarHBondContact O-SG 2.93Å; A287-V294 HydrophobicContact CB-CG1 4.07Å; A287-V294 HydrophobicContact CB-CG2 4Å
288	L	97.7	Very high	97.5	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-56.6	-32.9	175.4	-54.9	-169.6	0	0	0	111.9	M76 F85 F89 L284 F285 F286 V294 L338 I344	M76-L288 HydrophobicContact CG-CB 4.5Å; M76-L288 VanDerWaalsContact CG-O 3.26Å; M76-L288 WeakPolarHBondContact CG-O 3.21Å; M76-L288 HydrophobicContact SD-CB 3.65Å; M76-L288 HydrophobicContact SD-CD1 4.41Å; M76-L288 HydrophobicContact SD-CD2 3.6Å; M76-L288 HydrophobicContact SD-CG 4.03Å; F85-L288 HydrophobicContact CE2-CD1 4.4Å; F89-L288 HydrophobicContact CE2-CB 4.49Å; L284-L288 HydrophobicContact CD1-CD2 4.07Å; L284-L288 HydrophobicContact CD1-CG 4.48Å; L284-L288 WeakPolarHBondContact O-CG 3.28Å; L284-L288 PolarHBondContact O-N 3.4Å; F285-L288 HydrophobicContact CD1-CD1 3.69Å; F285-L288 HydrophobicContact CD1-CG 4.45Å; F285-L288 HydrophobicContact CE1-CD1 3.71Å; F285-L288 PolarHBondContact O-N 3.02Å; F286-L288 PolarHBondContact O-N 2.91Å; L288-V294 HydrophobicContact CD2-CB 4.11Å; L288-V294 HydrophobicContact CD2-CG1 4.21Å; L288-V294 HydrophobicContact CD2-CG2 4.04Å; L288-L338 HydrophobicContact CD1-CD1 4.07Å; L288-L338 HydrophobicContact CD1-CD2 4.01Å; L288-I344 HydrophobicContact CD2-CG2 3.48Å; L288-I344 VanDerWaalsContact CD2-CG2 3.48Å
289	H	97	Very high	97.4	Very high	10 Å²	10	5.5 Å²	5.5	5%	0.046	3%	0.03	C	C	.	.	H	α-helix	trans	-93.9	-3	-177.9	-68.6	71.1	0	0	0	114.3	F89 D90 P95 R144 F261 Y264 F285 F286 A287	F89-H289 AromaticContact CD2-CE1 3.82Å; F89-H289 AromaticContact CD2-NE2 3.84Å; F89-H289 AromaticContact CE2-CD2 3.87Å; F89-H289 AromaticContact CE2-CE1 3.47Å; F89-H289 VanDerWaalsContact CE2-CE1 3.47Å; F89-H289 WeakPolarHBondContact CE2-CE1 3.1Å; F89-H289 AromaticContact CE2-ND1 3.83Å; F89-H289 AromaticContact CE2-NE2 3.49Å; F89-H289 WeakPolarHBondContact CE2-NE2 3.34Å; D90-H289 PolarHBondContact O-CD2 3.36Å; D90-H289 PolarHBondContact O-NE2 3.37Å; P95-H289 HydrophobicContact CG-CB 4.38Å; R144-H289 VanDerWaalsContact NH2-C 3.34Å; R144-H289 PolarHBondContact NH2-O 3.5Å; F261-H289 HydrophobicContact CE2-CB 4.34Å; F261-H289 AromaticContact CE2-CD2 3.67Å; F261-H289 AromaticContact CE2-CE1 3.66Å; F261-H289 AromaticContact CE2-CG 3.64Å; F261-H289 AromaticContact CE2-ND1 3.64Å; F261-H289 AromaticContact CE2-NE2 3.67Å; F261-H289 HydrophobicContact CZ-CB 4.11Å; F261-H289 AromaticContact CZ-CE1 3.79Å; F261-H289 AromaticContact CZ-CG 3.65Å; F261-H289 AromaticContact CZ-ND1 3.41Å; F261-H289 WeakPolarHBondContact CZ-ND1 3.43Å; Y264-H289 AromaticContact CE1-CE1 3.8Å; Y264-H289 AromaticContact CE1-NE2 3.65Å; F285-H289 PolarHBondContact O-N 2.77Å; F285-H289 VanDerWaalsContact O-N 3.13Å; F285-H289 PolarHBondContact O-ND1 3.33Å; F286-H289 CarbonylContact O-C 3.6Å; F286-H289 PolarHBondContact O-N 3.36Å; A287-H289 PolarHBondContact O-N 2.94Å; A287-H289 VanDerWaalsContact O-N 3.16Å
290	V	96.3	Very high	97	Very high	1 Å²	1	6 Å²	6	1%	0.006	4%	0.037	C	C	.	.	H	α-helix	trans	-125.1	-8.4	176.8	-53.7	0	0	0	0	113.9	P95 Y141 R150 M177 F286 A287	P95-V290 HydrophobicContact CG-CG1 3.78Å; Y141-V290 HydrophobicContact CD1-CB 4.07Å; Y141-V290 HydrophobicContact CD1-CG1 4.18Å; Y141-V290 HydrophobicContact CD2-CG1 3.77Å; Y141-V290 HydrophobicContact CE2-CG1 4.35Å; Y141-V290 HydrophobicContact CG-CB 4.02Å; Y141-V290 HydrophobicContact CG-CG1 3.67Å; R150-V290 WeakPolarHBondContact CD-O 3.18Å; R150-V290 PolarHBondContact NH1-O 2.91Å; M177-V290 HydrophobicContact CE-CG2 3.57Å; F286-V290 HydrophobicContact CD1-CG1 4.14Å; F286-V290 HydrophobicContact CD1-CG2 3.75Å; F286-V290 HydrophobicContact CE1-CB 4.41Å; F286-V290 HydrophobicContact CE1-CG1 3.86Å; F286-V290 HydrophobicContact CE1-CG2 3.68Å; F286-V290 HydrophobicContact CZ-CG1 4.3Å; F286-V290 WeakPolarHBondContact O-CG2 3.43Å; F286-V290 PolarHBondContact O-N 3.36Å; F286-V290 VanDerWaalsContact O-N 3.09Å; A287-V290 PolarHBondContact O-N 3.12Å; A287-V290 VanDerWaalsContact O-N 3.13Å
291	C	95.9	Very high	96.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.044	C	C	.	.			trans	-119.5	163.1	-175.7	-52.1	0	0	0	0	111.8	C152 A287 V294	C152-C291 HydrophobicContact CB-CB 3.67Å; C152-C291 WeakPolarHBondContact CB-SG 3.47Å; C152-C291 WeakPolarHBondContact SG-CB 3.34Å; C152-C291 CovalentContact SG-SG 2Å; C152-C291 PolarHBondContact SG-SG 3.38Å; A287-C291 WeakPolarHBondContact O-CB 3.26Å; A287-C291 PolarHBondContact O-N 3.45Å; A287-C291 PolarHBondContact O-SG 2.93Å; C291-V294 HydrophobicContact CB-CG2 3.74Å
292	D	94.9	Very high	95.6	Very high	16 Å²	16	7.6 Å²	7.6	9%	0.086	5%	0.047	C	C	.	.	S	Bend	trans	-97.7	-36.1	177.1	-60	-47.6	0	0	0	111.5	C70 C72 M76 R150	C70-D292 HydrophobicContact CB-CB 4.13Å; C72-D292 WeakPolarHBondContact SG-CB 3.45Å; M76-D292 PolarHBondContact N-O 3.22Å; R150-D292 WeakPolarHBondContact CB-OD2 3.4Å; R150-D292 PolarHBondContact N-OD2 3.38Å; R150-D292 PolarHBondContact O-N 3.14Å
293	E	96.1	Very high	94.7	Very high	34 Å²	34	12 Å²	12	16%	0.159	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136	175.1	-173.8	177.8	110.6	0	0	109.3	R150 R151 C152	R150-E293 PolarHBondContact O-N 2.94Å; R151-E293 HydrophobicContact CG-CB 4.26Å; R151-E293 IonicContact CZ-OE1 2.77Å; R151-E293 VanDerWaalsContact CZ-OE1 3.23Å; R151-E293 IonicContact NE-OE1 3.59Å; R151-E293 PolarHBondContact NE-OE1 3.48Å; R151-E293 IonicContact NH2-OE1 3.2Å; R151-E293 PolarHBondContact NH2-OE1 3.42Å; C152-E293 PolarHBondContact N-O 3.28Å
294	V	98.2	Very high	93.7	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	121.9	-175.9	177.9	0	0	0	0	110.9	C152 V154 L284 A287 L288 C291 V296 I344 E345	C152-V294 HydrophobicContact CB-CG2 4.42Å; C152-V294 WeakPolarHBondContact O-CA 3.12Å; V154-V294 HydrophobicContact CG2-CG1 3.87Å; L284-V294 HydrophobicContact CD1-CG1 3.88Å; A287-V294 HydrophobicContact CB-CG1 4.07Å; A287-V294 HydrophobicContact CB-CG2 4Å; L288-V294 HydrophobicContact CD2-CB 4.11Å; L288-V294 HydrophobicContact CD2-CG1 4.21Å; L288-V294 HydrophobicContact CD2-CG2 4.04Å; C291-V294 HydrophobicContact CB-CG2 3.74Å; V294-V296 HydrophobicContact CG1-CG2 4.1Å; V294-I344 HydrophobicContact CB-CG2 4.11Å; V294-I344 HydrophobicContact CG1-CG2 4.16Å; V294-I344 VanDerWaalsContact O-CA 3.3Å; V294-I344 WeakPolarHBondContact O-CA 3.44Å; V294-E345 PolarHBondContact O-N 2.77Å
295	N	98.6	Very high	92.7	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.1	174.2	-71.5	12.8	0	0	0	109.4	C152 A153 V154 H173 Y297 E345 Y347	C152-N295 PolarHBondContact O-N 2.8Å; A153-N295 CarbonylContact C-O 3.56Å; A153-N295 WeakPolarHBondContact CA-O 3.25Å; V154-N295 PolarHBondContact N-O 3.48Å; H173-N295 PolarHBondContact NE2-ND2 3.05Å; N295-Y297 HydrophobicContact CB-CE2 3.49Å; N295-Y297 VanDerWaalsContact CB-CE2 3.49Å; N295-Y297 WeakPolarHBondContact CB-OH 3.18Å; N295-Y297 PolarHBondContact ND2-OH 3.43Å; N295-E345 CarbonylContact C-O 3.58Å; N295-E345 WeakPolarHBondContact CA-O 3.24Å; N295-E345 PolarHBondContact ND2-OE2 2.74Å; N295-Y347 HydrophobicContact CB-CD2 4.41Å; N295-Y347 HydrophobicContact CB-CE2 3.91Å; N295-Y347 PolarHBondContact ND2-OH 3.28Å
296	V	98.6	Very high	91.8	Very high	1 Å²	1	23 Å²	23	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123	-170.6	-177.7	0	0	0	0	109.7	L284 V294 F299 I344 E345 V346 Y347	L284-V296 HydrophobicContact CD1-CG2 3.57Å; L284-V296 HydrophobicContact CD2-CG2 4.41Å; V294-V296 HydrophobicContact CG1-CG2 4.1Å; V296-F299 HydrophobicContact CG1-CB 4.11Å; V296-F299 HydrophobicContact CG1-CD1 4.28Å; V296-F299 HydrophobicContact CG1-CD2 3.21Å; V296-F299 HydrophobicContact CG1-CE2 3.58Å; V296-F299 HydrophobicContact CG1-CG 3.61Å; V296-F299 HydrophobicContact CG1-CZ 4.23Å; V296-I344 HydrophobicContact CG2-CB 4.26Å; V296-I344 HydrophobicContact CG2-CD1 3.97Å; V296-E345 PolarHBondContact N-O 2.96Å; V296-V346 HydrophobicContact CB-CG2 4.48Å; V296-Y347 PolarHBondContact O-N 3.46Å
297	Y	98.6	Very high	91	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	143.4	-177	-51	-102	0	0	0	109.2	A153 V154 V155 G156 Y166 D169 V170 H173 N295 F299 Y347	A153-Y297 HydrophobicContact CB-CD2 4.16Å; A153-Y297 HydrophobicContact CB-CE2 3.74Å; V154-Y297 PolarHBondContact O-N 3.22Å; V155-Y297 WeakPolarHBondContact CA-O 3.42Å; V155-Y297 HydrophobicContact CG2-CD2 4.49Å; G156-Y297 PolarHBondContact N-O 2.65Å; Y166-Y297 AromaticContact CD2-CD1 3.78Å; Y166-Y297 HydrophobicContact CD2-CD1 3.78Å; Y166-Y297 HydrophobicContact CD2-CE1 4.5Å; Y166-Y297 HydrophobicContact CE2-CD1 4.45Å; Y166-Y297 AromaticContact CG-CD1 3.99Å; Y166-Y297 HydrophobicContact CG-CD1 3.99Å; Y166-Y297 HydrophobicContact CG-CE1 4.31Å; D169-Y297 WeakPolarHBondContact OD2-CE1 3.21Å; D169-Y297 PolarHBondContact OD2-OH 3.14Å; V170-Y297 HydrophobicContact CG2-CD1 3.86Å; V170-Y297 HydrophobicContact CG2-CD2 3.99Å; V170-Y297 HydrophobicContact CG2-CE1 3.91Å; V170-Y297 HydrophobicContact CG2-CE2 4.06Å; V170-Y297 HydrophobicContact CG2-CG 3.92Å; H173-Y297 PolarHBondContact CE1-OH 3.08Å; N295-Y297 HydrophobicContact CB-CE2 3.49Å; N295-Y297 VanDerWaalsContact CB-CE2 3.49Å; N295-Y297 WeakPolarHBondContact CB-OH 3.18Å; N295-Y297 PolarHBondContact ND2-OH 3.43Å; Y297-F299 VanDerWaalsContact O-CD2 3.29Å; Y297-F299 WeakPolarHBondContact O-CD2 3.4Å; Y297-Y347 VanDerWaalsContact CD1-CB 3.45Å; Y297-Y347 HydrophobicContact CD1-CD1 4.07Å; Y297-Y347 AromaticContact CD1-CD2 3.86Å; Y297-Y347 HydrophobicContact CD1-CD2 3.86Å; Y297-Y347 AromaticContact CD1-CG 3.52Å; Y297-Y347 HydrophobicContact CD1-CG 3.52Å; Y297-Y347 AromaticContact CE1-CD1 3.53Å; Y297-Y347 HydrophobicContact CE1-CD1 3.53Å; Y297-Y347 AromaticContact CE1-CD2 3.4Å; Y297-Y347 HydrophobicContact CE1-CD2 3.4Å; Y297-Y347 VanDerWaalsContact CE1-CD2 3.4Å; Y297-Y347 AromaticContact CE1-CE1 3.91Å; Y297-Y347 HydrophobicContact CE1-CE1 3.91Å; Y297-Y347 AromaticContact CE1-CE2 3.84Å; Y297-Y347 HydrophobicContact CE1-CE2 3.84Å; Y297-Y347 AromaticContact CE1-CG 3.27Å; Y297-Y347 HydrophobicContact CE1-CG 3.27Å; Y297-Y347 HydrophobicContact CE2-CD2 4.22Å; Y297-Y347 HydrophobicContact CE2-CE2 4.49Å; Y297-Y347 HydrophobicContact CG-CD2 4.43Å; Y297-Y347 HydrophobicContact CG-CG 4.4Å; Y297-Y347 AromaticContact CZ-CD2 3.58Å; Y297-Y347 AromaticContact CZ-CE2 3.69Å; Y297-Y347 AromaticContact CZ-CG 3.97Å; Y297-Y347 WeakPolarHBondContact OH-CE2 3.48Å
298	G	96.6	Very high	90.3	Very high	3 Å²	3	26 Å²	26	3%	0.031	15%	0.149	C	C	.	.	S	Bend	trans	75.3	26.8	172	0	0	0	0	0	115.4	G156 N157 S158 N160	G156-G298 CarbonylContact C-O 3.55Å; G156-G298 WeakPolarHBondContact CA-O 3.49Å; N157-G298 PolarHBondContact N-O 3.2Å; S158-G298 VanDerWaalsContact CB-C 3.46Å; S158-G298 WeakPolarHBondContact CB-O 3.48Å; S158-G298 PolarHBondContact N-O 3.27Å; N160-G298 VanDerWaalsContact OD1-CA 3.3Å; N160-G298 WeakPolarHBondContact OD1-CA 3.3Å
299	F	94.8	Very high	90	Very high	26 Å²	26	29.2 Å²	29.2	11%	0.114	16%	0.164	C	C	.	.			trans	-106.6	149.1	173.9	-77.3	-113	0	0	0	110.6	V154 N160 M179 G280 V296 Y297 I335	V154-F299 HydrophobicContact CB-CE2 4.49Å; V154-F299 HydrophobicContact CG1-CE2 3.74Å; V154-F299 HydrophobicContact CG1-CZ 3.67Å; N160-F299 PolarHBondContact ND2-O 3.48Å; M179-F299 HydrophobicContact CE-CZ 4.16Å; G280-F299 WeakPolarHBondContact O-CE1 3.41Å; V296-F299 HydrophobicContact CG1-CB 4.11Å; V296-F299 HydrophobicContact CG1-CD1 4.28Å; V296-F299 HydrophobicContact CG1-CD2 3.21Å; V296-F299 HydrophobicContact CG1-CE2 3.58Å; V296-F299 HydrophobicContact CG1-CG 3.61Å; V296-F299 HydrophobicContact CG1-CZ 4.23Å; Y297-F299 VanDerWaalsContact O-CD2 3.29Å; Y297-F299 WeakPolarHBondContact O-CD2 3.4Å; F299-I335 HydrophobicContact CB-CD1 4.15Å; F299-I335 HydrophobicContact CD1-CD1 3.49Å; F299-I335 VanDerWaalsContact CD1-CD1 3.49Å; F299-I335 HydrophobicContact CE1-CD1 4.26Å; F299-I335 HydrophobicContact CG-CD1 4.15Å
300	G	87.7	Confident	89.8	Confident	20 Å²	20	28.8 Å²	28.8	21%	0.206	16%	0.162	C	C	.	.	S	Bend	trans	80.6	-170	-178.9	0	0	0	0	0	113.9	S158	S158-G300 WeakPolarHBondContact CB-O 3.36Å; S158-G300 PolarHBondContact OG-O 2.82Å
301	A	83.7	Confident	89.6	Confident	30 Å²	30	31.3 Å²	31.3	25%	0.248	17%	0.171	C	C	.	.			trans	-79.3	168.4	175.9	0	0	0	0	0	112.6	N160 W307	N160-A301 PolarHBondContact ND2-O 2.93Å; A301-W307 HydrophobicContact CB-CD2 4.28Å; A301-W307 HydrophobicContact CB-CG 4.49Å; A301-W307 HydrophobicContact CB-CZ2 4.2Å
302	D	80.9	Confident	89.1	Confident	14 Å²	14	34.4 Å²	34.4	8%	0.075	19%	0.186	C	C	.	.			trans	-70.1	170.8	162.7	80.6	-1.2	0	0	0	111.8	N160 R304 G305 N306 H308	N160-D302 HydrophobicContact CB-CB 4.29Å; D302-R304 PolarHBondContact O-N 2.72Å; D302-R304 WeakPolarHBondContact OD1-CA 3.41Å; D302-R304 WeakPolarHBondContact OD1-CB 3.49Å; D302-R304 PolarHBondContact OD1-N 3.12Å; D302-R304 IonicContact OD2-CZ 3.54Å; D302-R304 IonicContact OD2-NE 2.86Å; D302-R304 IonicContact OD2-NH2 3.88Å; D302-R304 PolarHBondContact OD2-NH2 2.99Å; D302-G305 PolarHBondContact O-N 3.15Å; D302-G305 PolarHBondContact OD1-N 2.99Å; D302-G305 VanDerWaalsContact OD1-N 3.11Å; D302-N306 PolarHBondContact N-O 3.29Å; D302-N306 WeakPolarHBondContact OD1-CB 3.23Å; D302-N306 PolarHBondContact OD1-N 2.02Å; D302-N306 PolarHBondContact OD1-ND2 3.22Å; D302-N306 VanDerWaalsContact OD1-ND2 3.15Å; D302-N306 PolarHBondContact OD2-ND2 2.82Å; D302-H308 IonicContact OD2-CE1 3.23Å; D302-H308 PolarHBondContact OD2-CE1 3.23Å
303	S	79.8	Confident	88	Confident	93 Å²	93	41 Å²	41	65%	0.65	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-16	178.3	58	0	0	0	0	115.1	N350	S303-N350 WeakPolarHBondContact CB-OXT 3.45Å; S303-N350 PolarHBondContact N-O 2.92Å; S303-N350 PolarHBondContact OG-OXT 2.96Å
304	R	78.1	Confident	86.7	Confident	149 Å²	149	43.4 Å²	43.4	56%	0.562	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	5.9	177.4	-61	179	-64.1	-160	-6.5	112.4	D302 N306	D302-R304 PolarHBondContact O-N 2.72Å; D302-R304 WeakPolarHBondContact OD1-CA 3.41Å; D302-R304 WeakPolarHBondContact OD1-CB 3.49Å; D302-R304 PolarHBondContact OD1-N 3.12Å; D302-R304 IonicContact OD2-CZ 3.54Å; D302-R304 IonicContact OD2-NE 2.86Å; D302-R304 IonicContact OD2-NH2 3.88Å; D302-R304 PolarHBondContact OD2-NH2 2.99Å; R304-N306 VanDerWaalsContact C-N 3.31Å; R304-N306 WeakPolarHBondContact CB-ND2 3.39Å; R304-N306 PolarHBondContact NE-ND2 2.91Å
305	G	78.3	Confident	84.9	Confident	47 Å²	47	49.5 Å²	49.5	49%	0.485	26%	0.258	S	S	.	.	S	Bend	trans	77.8	12.1	-179	0	0	0	0	0	114.3	D302	D302-G305 PolarHBondContact O-N 3.15Å; D302-G305 PolarHBondContact OD1-N 2.99Å; D302-G305 VanDerWaalsContact OD1-N 3.11Å
306	N	78.7	Confident	82.9	Confident	35 Å²	35	58.7 Å²	58.7	19%	0.187	29%	0.294	C	S	.	.			trans	-81.8	134.4	179.6	-53.5	-58.7	0	0	0	111.3	D302 R304	D302-N306 PolarHBondContact N-O 3.29Å; D302-N306 WeakPolarHBondContact OD1-CB 3.23Å; D302-N306 PolarHBondContact OD1-N 2.02Å; D302-N306 PolarHBondContact OD1-ND2 3.22Å; D302-N306 VanDerWaalsContact OD1-ND2 3.15Å; D302-N306 PolarHBondContact OD2-ND2 2.82Å; R304-N306 VanDerWaalsContact C-N 3.31Å; R304-N306 WeakPolarHBondContact CB-ND2 3.39Å; R304-N306 PolarHBondContact NE-ND2 2.91Å
307	W	81.3	Confident	81.1	Confident	54 Å²	54	59.6 Å²	59.6	21%	0.205	30%	0.301	C	S	.	.			trans	-101.7	108.8	170.8	-65.7	81.8	0	0	0	108.2	A301 A317 F320 A328	A301-W307 HydrophobicContact CB-CD2 4.28Å; A301-W307 HydrophobicContact CB-CG 4.49Å; A301-W307 HydrophobicContact CB-CZ2 4.2Å; W307-A317 CarbonylContact O-C 3.51Å; W307-F320 HydrophobicContact CE3-CD1 4.36Å; W307-F320 HydrophobicContact CZ3-CD1 4.36Å; W307-A328 HydrophobicContact CH2-CB 4.5Å
308	H	84.4	Confident	79.1	Confident	10 Å²	10	60.4 Å²	60.4	5%	0.046	31%	0.31	C	S	.	.			trans	-155.2	161.1	177.7	63.4	-73.6	0	0	0	109.6	S158 G159 D302 N314	S158-H308 CarbonylContact C-O 3.55Å; G159-H308 PolarHBondContact N-O 3.44Å; D302-H308 IonicContact OD2-CE1 3.23Å; D302-H308 PolarHBondContact OD2-CE1 3.23Å; H308-N314 VanDerWaalsContact CB-O 3.23Å; H308-N314 WeakPolarHBondContact CB-O 3.42Å
309	H	91.6	Very high	77.2	Confident	67 Å²	67	67.2 Å²	67.2	31%	0.31	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-80.9	144.1	175.3	-63.3	145.5	0	0	0	112.2	N157 W311 E312	N157-H309 VanDerWaalsContact O-CA 3.23Å; N157-H309 WeakPolarHBondContact O-CA 3.02Å; H309-W311 HydrophobicContact CB-CD2 3.81Å; H309-W311 HydrophobicContact CB-CE3 3.85Å; H309-W311 HydrophobicContact CB-CH2 3.84Å; H309-W311 HydrophobicContact CB-CZ2 3.74Å; H309-W311 HydrophobicContact CB-CZ3 3.89Å; H309-W311 AromaticContact CD2-CH2 3.85Å; H309-W311 AromaticContact CG-CH2 3.61Å; H309-W311 AromaticContact CG-CZ2 3.54Å; H309-W311 AromaticContact ND1-CH2 3.91Å; H309-W311 AromaticContact ND1-CZ2 3.43Å; H309-W311 WeakPolarHBondContact ND1-CZ2 3.34Å; H309-W311 PolarHBondContact O-N 2.89Å; H309-W311 VanDerWaalsContact O-N 3.12Å; H309-E312 HydrophobicContact CB-CB 4.25Å; H309-E312 HydrophobicContact CB-CG 3.99Å; H309-E312 IonicContact CE1-OE1 3.4Å; H309-E312 IonicContact CG-OE1 3.3Å; H309-E312 VanDerWaalsContact ND1-CD 3.35Å; H309-E312 IonicContact ND1-OE1 2.62Å; H309-E312 PolarHBondContact ND1-OE1 3.38Å; H309-E312 IonicContact ND1-OE2 3.56Å; H309-E312 PolarHBondContact O-N 2.95Å; H309-E312 VanDerWaalsContact O-N 3.14Å
310	Y	93.6	Very high	75.5	Confident	1 Å²	1	69.4 Å²	69.4	0%	0.004	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.1	179.2	67.9	-101.3	0	0	0	114.3	N157 L161 R162 A182 P183 F187 V191	N157-Y310 WeakPolarHBondContact O-CD1 3.4Å; N157-Y310 PolarHBondContact O-N 3.33Å; N157-Y310 VanDerWaalsContact O-N 3.1Å; L161-Y310 HydrophobicContact CB-CG 4.45Å; L161-Y310 HydrophobicContact CD1-CD1 3.68Å; L161-Y310 HydrophobicContact CD1-CE1 4Å; L161-Y310 HydrophobicContact CD1-CG 4.37Å; R162-Y310 PolarHBondContact NE-O 2.95Å; R162-Y310 VanDerWaalsContact NH2-C 3.34Å; R162-Y310 PolarHBondContact NH2-O 3.33Å; A182-Y310 HydrophobicContact CB-CE1 4.35Å; A182-Y310 WeakPolarHBondContact CB-OH 2.98Å; P183-Y310 HydrophobicContact CG-CE2 4.3Å; P183-Y310 VanDerWaalsContact O-CE2 3.25Å; P183-Y310 WeakPolarHBondContact O-CE2 3.46Å; P183-Y310 PolarHBondContact O-OH 2.93Å; F187-Y310 HydrophobicContact CB-CD2 4.3Å; F187-Y310 HydrophobicContact CB-CE2 4.09Å; F187-Y310 AromaticContact CD1-CD2 3.92Å; F187-Y310 HydrophobicContact CD1-CD2 3.92Å; F187-Y310 HydrophobicContact CD1-CE2 4.4Å; F187-Y310 HydrophobicContact CD2-CD2 4.39Å; F187-Y310 HydrophobicContact CD2-CE2 4.13Å; F187-Y310 HydrophobicContact CE1-CD2 4.39Å; F187-Y310 VanDerWaalsContact CE1-O 3.24Å; F187-Y310 WeakPolarHBondContact CE1-O 3.39Å; F187-Y310 AromaticContact CG-CD2 3.94Å; F187-Y310 HydrophobicContact CG-CD2 3.94Å; F187-Y310 AromaticContact CG-CE2 3.94Å; F187-Y310 HydrophobicContact CG-CE2 3.94Å; V191-Y310 HydrophobicContact CG1-CD1 4.45Å; V191-Y310 HydrophobicContact CG1-CD2 4.05Å; V191-Y310 HydrophobicContact CG1-CE1 4.3Å; V191-Y310 HydrophobicContact CG1-CE2 3.91Å; V191-Y310 HydrophobicContact CG1-CG 4.33Å; V191-Y310 HydrophobicContact CG2-CE2 4.36Å
311	W	91.9	Very high	74.2	Confident	53 Å²	53	74.9 Å²	74.9	20%	0.201	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-6.4	177.2	65	88.1	0	0	0	113.8	N157 A182 P183 F187 H309	N157-W311 HydrophobicContact CB-CH2 3.65Å; N157-W311 HydrophobicContact CB-CZ3 3.58Å; A182-W311 HydrophobicContact CB-CH2 4.12Å; A182-W311 HydrophobicContact CB-CZ3 3.82Å; P183-W311 VanDerWaalsContact CD-CE3 3.42Å; P183-W311 HydrophobicContact CG-CB 3.44Å; P183-W311 VanDerWaalsContact CG-CB 3.44Å; P183-W311 HydrophobicContact CG-CD2 4Å; P183-W311 HydrophobicContact CG-CE3 4.34Å; P183-W311 HydrophobicContact CG-CG 3.62Å; F187-W311 HydrophobicContact CD2-CB 4.43Å; F187-W311 HydrophobicContact CE1-CB 4.45Å; F187-W311 HydrophobicContact CE2-CB 3.68Å; F187-W311 HydrophobicContact CZ-CB 3.7Å; H309-W311 HydrophobicContact CB-CD2 3.81Å; H309-W311 HydrophobicContact CB-CE3 3.85Å; H309-W311 HydrophobicContact CB-CH2 3.84Å; H309-W311 HydrophobicContact CB-CZ2 3.74Å; H309-W311 HydrophobicContact CB-CZ3 3.89Å; H309-W311 AromaticContact CD2-CH2 3.85Å; H309-W311 AromaticContact CG-CH2 3.61Å; H309-W311 AromaticContact CG-CZ2 3.54Å; H309-W311 AromaticContact ND1-CH2 3.91Å; H309-W311 AromaticContact ND1-CZ2 3.43Å; H309-W311 WeakPolarHBondContact ND1-CZ2 3.34Å; H309-W311 PolarHBondContact O-N 2.89Å; H309-W311 VanDerWaalsContact O-N 3.12Å
312	E	84.4	Confident	73	Confident	65 Å²	65	81.5 Å²	81.5	30%	0.304	39%	0.388	S	S	.	.			trans	-104.3	136.5	-176	-65.9	173.8	-164.7	0	0	111.5	R162 H309 N314	R162-E312 VanDerWaalsContact CZ-O 3.23Å; R162-E312 PolarHBondContact NH1-O 2.79Å; R162-E312 VanDerWaalsContact NH2-N 3.19Å; R162-E312 PolarHBondContact NH2-O 3.35Å; H309-E312 HydrophobicContact CB-CB 4.25Å; H309-E312 HydrophobicContact CB-CG 3.99Å; H309-E312 IonicContact CE1-OE1 3.4Å; H309-E312 IonicContact CG-OE1 3.3Å; H309-E312 VanDerWaalsContact ND1-CD 3.35Å; H309-E312 IonicContact ND1-OE1 2.62Å; H309-E312 PolarHBondContact ND1-OE1 3.38Å; H309-E312 IonicContact ND1-OE2 3.56Å; H309-E312 PolarHBondContact O-N 2.95Å; H309-E312 VanDerWaalsContact O-N 3.14Å; E312-N314 PolarHBondContact O-N 3.41Å
313	N	71.7	Confident	72.2	Confident	155 Å²	155	84.9 Å²	84.9	83%	0.829	41%	0.41	S	S	*	.	S	Bend	trans	-76.2	-1.1	177	-74.9	-19.2	0	0	0	113	R315	N313-R315 PolarHBondContact O-N 2.88Å
314	N	70.1	Confident	71.9	Confident	85 Å²	85	83.3 Å²	83.3	46%	0.455	41%	0.408	S	S	.	.			trans	-88.8	89.9	179.2	-173.2	4.7	0	0	0	111.9	H308 E312 Y316 A317	H308-N314 VanDerWaalsContact CB-O 3.23Å; H308-N314 WeakPolarHBondContact CB-O 3.42Å; E312-N314 PolarHBondContact O-N 3.41Å; N314-Y316 PolarHBondContact O-N 3.21Å; N314-Y316 PolarHBondContact OD1-N 3.32Å; N314-Y316 VanDerWaalsContact OD1-N 3.13Å; N314-A317 HydrophobicContact CB-CB 4.22Å; N314-A317 WeakPolarHBondContact O-CB 3.35Å; N314-A317 PolarHBondContact O-N 3.39Å; N314-A317 PolarHBondContact OD1-N 2.95Å
315	R	59.3	Low	72.2	Confident	128 Å²	128	78 Å²	78	48%	0.483	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.6	177.7	-63.2	-179.2	-177.2	172	1.1	114.2	N313	N313-R315 PolarHBondContact O-N 2.88Å
316	Y	57.3	Low	72.6	Confident	195 Å²	195	77.5 Å²	77.5	77%	0.765	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	14.1	-178.8	-56.1	-73.3	0	0	0	113.2	N314 G318	N314-Y316 PolarHBondContact O-N 3.21Å; N314-Y316 PolarHBondContact OD1-N 3.32Å; N314-Y316 VanDerWaalsContact OD1-N 3.13Å; Y316-G318 PolarHBondContact O-N 2.93Å
317	A	60.5	Low	73.1	Confident	20 Å²	20	78.2 Å²	78.2	17%	0.165	38%	0.381	C	S	.	.			trans	-71.3	60.2	175.8	0	0	0	0	0	111.7	W307 N314 E319	W307-A317 CarbonylContact O-C 3.51Å; N314-A317 HydrophobicContact CB-CB 4.22Å; N314-A317 WeakPolarHBondContact O-CB 3.35Å; N314-A317 PolarHBondContact O-N 3.39Å; N314-A317 PolarHBondContact OD1-N 2.95Å; A317-E319 PolarHBondContact O-N 3.21Å
318	G	57.1	Low	73.3	Confident	18 Å²	18	76 Å²	76	19%	0.186	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	26.3	172	0	0	0	0	0	113.4	Y316 F320 R321 K322	Y316-G318 PolarHBondContact O-N 2.93Å; G318-F320 PolarHBondContact O-N 3.07Å; G318-R321 PolarHBondContact O-N 3.34Å; G318-R321 VanDerWaalsContact O-N 3.15Å; G318-K322 WeakPolarHBondContact O-CG 3.4Å; G318-K322 PolarHBondContact O-N 3.45Å
319	E	55.3	Low	73.6	Confident	147 Å²	147	79.9 Å²	79.9	69%	0.687	40%	0.395	S	S	*	.	H	α-helix	trans	-58.6	-33.6	-175.2	-156.6	164.7	-154.2	0	0	111	A317 R321 K322	A317-E319 PolarHBondContact O-N 3.21Å; E319-R321 PolarHBondContact O-N 2.64Å; E319-K322 PolarHBondContact O-N 3.27Å
320	F	58.8	Low	73.7	Confident	72 Å²	72	78.4 Å²	78.4	32%	0.316	39%	0.388	S	S	.	.	H	α-helix	trans	-59.9	-41.8	175.8	-172.2	-105.9	0	0	0	114.1	W307 G318 H326 A328	W307-F320 HydrophobicContact CE3-CD1 4.36Å; W307-F320 HydrophobicContact CZ3-CD1 4.36Å; G318-F320 PolarHBondContact O-N 3.07Å; F320-H326 AromaticContact CE2-CD2 3.71Å; F320-H326 HydrophobicContact CZ-CB 4.22Å; F320-A328 HydrophobicContact CD1-CB 4Å; F320-A328 HydrophobicContact CE1-CB 3.52Å
321	R	60.5	Low	73.8	Confident	134 Å²	134	79.1 Å²	79.1	51%	0.506	39%	0.392	S	S	.	.	H	α-helix	trans	-81.2	-17.2	178.1	-67.9	-173.7	81.9	179.6	9.6	113.2	G318 E319 A328 D329	G318-R321 PolarHBondContact O-N 3.34Å; G318-R321 VanDerWaalsContact O-N 3.15Å; E319-R321 PolarHBondContact O-N 2.64Å; R321-A328 HydrophobicContact CG-CB 4.37Å; R321-D329 IonicContact CZ-OD1 3.96Å; R321-D329 IonicContact CZ-OD2 3.75Å; R321-D329 IonicContact NH2-OD1 3.56Å; R321-D329 PolarHBondContact NH2-OD1 3.13Å; R321-D329 IonicContact NH2-OD2 3.4Å; R321-D329 PolarHBondContact NH2-OD2 3.33Å
322	K	59.1	Low	73.8	Confident	169 Å²	169	78 Å²	78	74%	0.735	39%	0.394	S	S	*	.	H	α-helix	trans	-80.2	-25.5	-174.7	-74.2	175.9	-176.6	-179	0	113.8	G318 E319	G318-K322 WeakPolarHBondContact O-CG 3.4Å; G318-K322 PolarHBondContact O-N 3.45Å; E319-K322 PolarHBondContact O-N 3.27Å
323	T	65.3	Low	74.4	Confident	86 Å²	86	79 Å²	79	53%	0.528	40%	0.399	S	S	.	.	S	Bend	trans	-79.6	-23.9	-174.1	62.5	0	0	0	0	113.4	V325	T323-V325 PolarHBondContact O-N 3.45Å; T323-V325 VanDerWaalsContact O-N 3.15Å
324	G	73.5	Confident	75.6	Confident	60 Å²	60	71.7 Å²	71.7	62%	0.619	36%	0.359	S	S	*	.			trans	63.7	12.6	-176.9	0	0	0	0	0	114.5
325	V	83.9	Confident	76.9	Confident	37 Å²	37	68.2 Å²	68.2	22%	0.224	34%	0.34	C	S	.	.	S	Bend	trans	-75.4	-35.6	-179.7	176.2	0	0	0	0	111.2	R275 Y276 T323	R275-V325 HydrophobicContact CB-CG1 4.4Å; R275-V325 WeakPolarHBondContact CB-O 3.44Å; R275-V325 PolarHBondContact N-O 3.42Å; Y276-V325 HydrophobicContact CD1-CG1 4.3Å; Y276-V325 HydrophobicContact CD2-CG1 4.29Å; Y276-V325 HydrophobicContact CE1-CG1 3.69Å; Y276-V325 HydrophobicContact CE2-CG1 3.69Å; Y276-V325 WeakPolarHBondContact OH-CG1 3.07Å; T323-V325 PolarHBondContact O-N 3.45Å; T323-V325 VanDerWaalsContact O-N 3.15Å
326	H	86.7	Confident	78.7	Confident	36 Å²	36	64.5 Å²	64.5	17%	0.167	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-119.5	148.9	179.7	-47.8	-62.6	0	0	0	109.4	Y276 P277 S278 F320 A328	Y276-H326 AromaticContact CD2-CE1 3.47Å; Y276-H326 VanDerWaalsContact CD2-CE1 3.47Å; Y276-H326 WeakPolarHBondContact CD2-CE1 3.46Å; Y276-H326 AromaticContact CD2-ND1 3.93Å; Y276-H326 AromaticContact CE2-CE1 3.38Å; Y276-H326 WeakPolarHBondContact CE2-CE1 3.45Å; Y276-H326 PolarHBondContact O-ND1 3.41Å; P277-H326 PolarHBondContact O-CE1 2.9Å; S278-H326 PolarHBondContact N-ND1 2.69Å; F320-H326 AromaticContact CE2-CD2 3.71Å; F320-H326 HydrophobicContact CZ-CB 4.22Å; H326-A328 PolarHBondContact O-N 3.27Å
327	D	88.8	Confident	80.6	Confident	50 Å²	50	57.1 Å²	57.1	27%	0.267	30%	0.303	S	S	.	.			trans	-93.1	90.1	171.5	-167	-29.7	0	0	0	109.9	H273 D329 F330 E331	H273-D327 HydrophobicContact CB-CB 3.78Å; H273-D327 IonicContact CD2-OD2 3.43Å; D327-D329 PolarHBondContact O-N 3.38Å; D327-D329 PolarHBondContact OD1-N 3.06Å; D327-F330 HydrophobicContact CB-CB 3.91Å; D327-F330 VanDerWaalsContact CG-CB 3.46Å; D327-F330 PolarHBondContact O-N 2.87Å; D327-F330 PolarHBondContact OD1-N 3.11Å; D327-E331 WeakPolarHBondContact O-CG 3.33Å; D327-E331 PolarHBondContact O-N 2.76Å
328	A	86.4	Confident	82.4	Confident	9 Å²	9	56.2 Å²	56.2	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-61.2	-33.4	-177	0	0	0	0	0	113.2	W307 F320 R321 H326 A332	W307-A328 HydrophobicContact CH2-CB 4.5Å; F320-A328 HydrophobicContact CD1-CB 4Å; F320-A328 HydrophobicContact CE1-CB 3.52Å; R321-A328 HydrophobicContact CG-CB 4.37Å; H326-A328 PolarHBondContact O-N 3.27Å; A328-A332 WeakPolarHBondContact O-CB 3.41Å; A328-A332 PolarHBondContact O-N 3.42Å
329	D	89.6	Confident	84.2	Confident	90 Å²	90	56.8 Å²	56.8	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-76.3	-40.3	-177.1	-64.5	-37.6	0	0	0	109.5	R321 D327 A332 H333	R321-D329 IonicContact CZ-OD1 3.96Å; R321-D329 IonicContact CZ-OD2 3.75Å; R321-D329 IonicContact NH2-OD1 3.56Å; R321-D329 PolarHBondContact NH2-OD1 3.13Å; R321-D329 IonicContact NH2-OD2 3.4Å; R321-D329 PolarHBondContact NH2-OD2 3.33Å; D327-D329 PolarHBondContact O-N 3.38Å; D327-D329 PolarHBondContact OD1-N 3.06Å; D329-A332 PolarHBondContact O-N 2.95Å; D329-H333 PolarHBondContact O-N 3.19Å
330	F	93.6	Very high	86.2	Confident	36 Å²	36	57.8 Å²	57.8	16%	0.158	30%	0.301	C	S	.	.	H	α-helix	trans	-66.2	-42.4	172.8	-161.1	-96.4	0	0	0	112.4	T270 E271 H273 D327 A332 H333 I334	T270-F330 VanDerWaalsContact C-CE1 3.43Å; T270-F330 WeakPolarHBondContact O-CE1 3.49Å; E271-F330 HydrophobicContact CB-CE1 4.38Å; E271-F330 HydrophobicContact CB-CZ 4.16Å; E271-F330 HydrophobicContact CG-CZ 4.26Å; H273-F330 HydrophobicContact CB-CB 3.95Å; H273-F330 HydrophobicContact CB-CD1 3.83Å; H273-F330 HydrophobicContact CB-CD2 4.36Å; H273-F330 HydrophobicContact CB-CE1 4.46Å; H273-F330 HydrophobicContact CB-CG 3.78Å; H273-F330 AromaticContact CD2-CD2 3.67Å; H273-F330 AromaticContact CD2-CG 3.95Å; H273-F330 AromaticContact CE1-CD2 3.77Å; H273-F330 AromaticContact CE1-CE2 3.4Å; H273-F330 VanDerWaalsContact CE1-CE2 3.4Å; H273-F330 WeakPolarHBondContact CE1-CE2 3.47Å; H273-F330 AromaticContact CE1-CZ 3.73Å; H273-F330 AromaticContact CG-CD1 3.87Å; H273-F330 AromaticContact CG-CD2 3.68Å; H273-F330 AromaticContact CG-CG 3.61Å; H273-F330 AromaticContact ND1-CD1 3.89Å; H273-F330 AromaticContact ND1-CD2 3.74Å; H273-F330 AromaticContact ND1-CE1 3.73Å; H273-F330 AromaticContact ND1-CE2 3.56Å; H273-F330 AromaticContact ND1-CG 3.91Å; H273-F330 AromaticContact ND1-CZ 3.55Å; H273-F330 AromaticContact NE2-CD2 3.75Å; H273-F330 AromaticContact NE2-CE2 3.77Å; D327-F330 HydrophobicContact CB-CB 3.91Å; D327-F330 VanDerWaalsContact CG-CB 3.46Å; D327-F330 PolarHBondContact O-N 2.87Å; D327-F330 PolarHBondContact OD1-N 3.11Å; F330-A332 VanDerWaalsContact C-N 3.35Å; F330-A332 PolarHBondContact O-N 2.03Å; F330-H333 WeakPolarHBondContact O-CB 3.33Å; F330-H333 PolarHBondContact O-N 3.32Å; F330-H333 VanDerWaalsContact O-N 3.16Å; F330-I334 HydrophobicContact CD1-CD1 3.71Å; F330-I334 HydrophobicContact CD1-CG1 4.17Å; F330-I334 HydrophobicContact CE1-CD1 3.74Å; F330-I334 HydrophobicContact CE1-CG1 4.05Å; F330-I334 WeakPolarHBondContact O-CG1 3.26Å; F330-I334 PolarHBondContact O-N 3.32Å
331	E	95	Very high	87.9	Confident	16 Å²	16	54.9 Å²	54.9	8%	0.075	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-42.4	174.8	-73.9	-176.4	-174.7	0	0	112.1	S278 M281 D327 H333 I334 I335	S278-E331 WeakPolarHBondContact CB-OE1 3.38Å; S278-E331 WeakPolarHBondContact CB-OE2 3.27Å; S278-E331 PolarHBondContact N-OE1 2.84Å; S278-E331 PolarHBondContact OG-OE1 3.04Å; S278-E331 PolarHBondContact OG-OE2 2.95Å; M281-E331 HydrophobicContact CB-CG 4.3Å; M281-E331 HydrophobicContact CG-CG 4.2Å; M281-E331 HydrophobicContact SD-CB 4.28Å; M281-E331 HydrophobicContact SD-CG 4.07Å; D327-E331 WeakPolarHBondContact O-CG 3.33Å; D327-E331 PolarHBondContact O-N 2.76Å; E331-H333 VanDerWaalsContact C-N 3.3Å; E331-H333 PolarHBondContact O-N 2.95Å; E331-I334 PolarHBondContact O-N 2.92Å; E331-I335 WeakPolarHBondContact O-CG1 3.11Å; E331-I335 PolarHBondContact O-N 3.45Å; E331-I335 VanDerWaalsContact O-N 3.13Å
332	A	93.5	Very high	89.5	Confident	31 Å²	31	51.4 Å²	51.4	26%	0.256	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-39.9	174.4	0	0	0	0	0	111.8	A328 D329 F330 I334 I335 D336	A328-A332 WeakPolarHBondContact O-CB 3.41Å; A328-A332 PolarHBondContact O-N 3.42Å; D329-A332 PolarHBondContact O-N 2.95Å; F330-A332 VanDerWaalsContact C-N 3.35Å; F330-A332 PolarHBondContact O-N 2.03Å; A332-I334 PolarHBondContact O-N 3.29Å; A332-I335 PolarHBondContact O-N 3.16Å; A332-D336 PolarHBondContact O-N 3.26Å
333	H	95.8	Very high	91.2	Very high	86 Å²	86	44 Å²	44	40%	0.398	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.6	-178.7	63.7	0	0	0	112.6	D329 F330 E331 I335 D336 M337	D329-H333 PolarHBondContact O-N 3.19Å; F330-H333 WeakPolarHBondContact O-CB 3.33Å; F330-H333 PolarHBondContact O-N 3.32Å; F330-H333 VanDerWaalsContact O-N 3.16Å; E331-H333 VanDerWaalsContact C-N 3.3Å; E331-H333 PolarHBondContact O-N 2.95Å; H333-I335 VanDerWaalsContact C-N 3.35Å; H333-I335 PolarHBondContact O-N 2.7Å; H333-D336 WeakPolarHBondContact O-CB 3.4Å; H333-D336 PolarHBondContact O-N 2.88Å; H333-M337 WeakPolarHBondContact O-CG 3.19Å; H333-M337 PolarHBondContact O-N 3.33Å
334	I	97.6	Very high	92.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-44.3	175.7	-65.4	164.1	0	0	0	110.9	W84 W269 T270 M281 F285 F330 E331 A332 D336 M337 L338	W84-I334 HydrophobicContact CH2-CG2 4.45Å; W269-I334 WeakPolarHBondContact O-CD1 3.4Å; T270-I334 HydrophobicContact CG2-CD1 3.99Å; M281-I334 HydrophobicContact CE-CG2 4.48Å; M281-I334 HydrophobicContact SD-CD1 4.3Å; M281-I334 HydrophobicContact SD-CG2 4.39Å; F285-I334 HydrophobicContact CE2-CG2 4.45Å; F285-I334 HydrophobicContact CZ-CG2 4.05Å; F330-I334 HydrophobicContact CD1-CD1 3.71Å; F330-I334 HydrophobicContact CD1-CG1 4.17Å; F330-I334 HydrophobicContact CE1-CD1 3.74Å; F330-I334 HydrophobicContact CE1-CG1 4.05Å; F330-I334 WeakPolarHBondContact O-CG1 3.26Å; F330-I334 PolarHBondContact O-N 3.32Å; E331-I334 PolarHBondContact O-N 2.92Å; A332-I334 PolarHBondContact O-N 3.29Å; I334-D336 VanDerWaalsContact C-N 3.28Å; I334-D336 PolarHBondContact O-N 2.84Å; I334-M337 HydrophobicContact CG1-CE 4.5Å; I334-M337 PolarHBondContact O-N 2.99Å; I334-M337 VanDerWaalsContact O-N 3.15Å; I334-L338 HydrophobicContact CG2-CD1 4Å; I334-L338 HydrophobicContact CG2-CG 4.32Å; I334-L338 WeakPolarHBondContact O-CG 3.49Å; I334-L338 PolarHBondContact O-N 3.18Å
335	I	97.6	Very high	93.9	Very high	11 Å²	11	41.8 Å²	41.8	6%	0.056	22%	0.222	C	C	.	.	H	α-helix	trans	-59	-42.7	177.4	-66.5	171.8	0	0	0	110.4	L284 F299 E331 A332 H333 M337 L338 A339 I344 V346	L284-I335 HydrophobicContact CD2-CD1 4.35Å; L284-I335 HydrophobicContact CD2-CG1 3.82Å; F299-I335 HydrophobicContact CB-CD1 4.15Å; F299-I335 HydrophobicContact CD1-CD1 3.49Å; F299-I335 VanDerWaalsContact CD1-CD1 3.49Å; F299-I335 HydrophobicContact CE1-CD1 4.26Å; F299-I335 HydrophobicContact CG-CD1 4.15Å; E331-I335 WeakPolarHBondContact O-CG1 3.11Å; E331-I335 PolarHBondContact O-N 3.45Å; E331-I335 VanDerWaalsContact O-N 3.13Å; A332-I335 PolarHBondContact O-N 3.16Å; H333-I335 VanDerWaalsContact C-N 3.35Å; H333-I335 PolarHBondContact O-N 2.7Å; I335-M337 PolarHBondContact O-N 3.09Å; I335-L338 PolarHBondContact O-N 3.28Å; I335-A339 WeakPolarHBondContact O-CB 3.1Å; I335-A339 PolarHBondContact O-N 2.92Å; I335-I344 HydrophobicContact CG2-CD1 3.95Å; I335-V346 HydrophobicContact CG2-CG1 4.35Å; I335-V346 HydrophobicContact CG2-CG2 3.74Å
336	D	97.1	Very high	94.5	Very high	51 Å²	51	41.4 Å²	41.4	27%	0.273	22%	0.22	S	C	.	.	H	α-helix	trans	-63.8	-40.4	176.4	-70	-0.2	0	0	0	112.1	A332 H333 I334 A339 K340 R348	A332-D336 PolarHBondContact O-N 3.26Å; H333-D336 WeakPolarHBondContact O-CB 3.4Å; H333-D336 PolarHBondContact O-N 2.88Å; I334-D336 VanDerWaalsContact C-N 3.28Å; I334-D336 PolarHBondContact O-N 2.84Å; D336-A339 PolarHBondContact O-N 3.42Å; D336-K340 WeakPolarHBondContact O-CB 2.98Å; D336-K340 VanDerWaalsContact O-CG 3.28Å; D336-K340 WeakPolarHBondContact O-CG 3.26Å; D336-K340 PolarHBondContact O-N 3.05Å; D336-R348 IonicContact OD1-CZ 2.78Å; D336-R348 IonicContact OD1-NH1 3.75Å; D336-R348 PolarHBondContact OD1-NH1 2.88Å; D336-R348 IonicContact OD1-NH2 3.82Å; D336-R348 PolarHBondContact OD1-NH2 2.92Å
337	M	97.2	Very high	95	Very high	40 Å²	40	42 Å²	42	20%	0.197	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-42.5	176.1	-70.3	-159	-70.7	0	0	112.1	W84 H333 I334 I335 A339 K340 A341	W84-M337 HydrophobicContact CD2-SD 4.34Å; W84-M337 HydrophobicContact CE3-CB 4.2Å; W84-M337 HydrophobicContact CH2-CB 3.59Å; W84-M337 HydrophobicContact CH2-CE 4.01Å; W84-M337 HydrophobicContact CZ2-CB 4.05Å; W84-M337 HydrophobicContact CZ2-CE 3.3Å; W84-M337 HydrophobicContact CZ2-SD 4.09Å; W84-M337 HydrophobicContact CZ3-CB 3.67Å; H333-M337 WeakPolarHBondContact O-CG 3.19Å; H333-M337 PolarHBondContact O-N 3.33Å; I334-M337 HydrophobicContact CG1-CE 4.5Å; I334-M337 PolarHBondContact O-N 2.99Å; I334-M337 VanDerWaalsContact O-N 3.15Å; I335-M337 PolarHBondContact O-N 3.09Å; M337-A339 VanDerWaalsContact C-N 3.33Å; M337-A339 PolarHBondContact O-N 3.31Å; M337-K340 PolarHBondContact O-N 3.44Å; M337-A341 WeakPolarHBondContact O-CB 3.46Å; M337-A341 PolarHBondContact O-N 2.95Å
338	L	97.4	Very high	95.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-42	174.4	-71.2	169	0	0	0	111.6	W84 F85 W269 L284 L288 I334 I335 A341 S342 K343 I344	W84-L338 HydrophobicContact CH2-CD2 4.1Å; W84-L338 HydrophobicContact CH2-CG 4.12Å; W84-L338 HydrophobicContact CZ3-CD2 4.05Å; W84-L338 HydrophobicContact CZ3-CG 4.32Å; F85-L338 HydrophobicContact CD2-CD2 3.68Å; F85-L338 HydrophobicContact CE2-CD2 3.72Å; W269-L338 HydrophobicContact CH2-CD2 4.47Å; W269-L338 HydrophobicContact CZ3-CD2 4Å; L284-L338 HydrophobicContact CD2-CD1 4.17Å; L288-L338 HydrophobicContact CD1-CD1 4.07Å; L288-L338 HydrophobicContact CD1-CD2 4.01Å; I334-L338 HydrophobicContact CG2-CD1 4Å; I334-L338 HydrophobicContact CG2-CG 4.32Å; I334-L338 WeakPolarHBondContact O-CG 3.49Å; I334-L338 PolarHBondContact O-N 3.18Å; I335-L338 PolarHBondContact O-N 3.28Å; L338-A341 PolarHBondContact O-N 2.71Å; L338-S342 PolarHBondContact O-N 2.65Å; L338-K343 HydrophobicContact CD2-CB 4.29Å; L338-K343 WeakPolarHBondContact O-CB 3.33Å; L338-K343 PolarHBondContact O-N 2.86Å; L338-I344 HydrophobicContact CB-CD1 3.62Å; L338-I344 HydrophobicContact CB-CG1 3.74Å; L338-I344 HydrophobicContact CB-CG2 4.43Å; L338-I344 HydrophobicContact CD1-CD1 4.19Å
339	A	96.3	Very high	95.4	Very high	30 Å²	30	45.9 Å²	45.9	25%	0.248	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-44.9	176.6	0	0	0	0	0	111.7	I335 D336 M337 A341 S342 I344 V346	I335-A339 WeakPolarHBondContact O-CB 3.1Å; I335-A339 PolarHBondContact O-N 2.92Å; D336-A339 PolarHBondContact O-N 3.42Å; M337-A339 VanDerWaalsContact C-N 3.33Å; M337-A339 PolarHBondContact O-N 3.31Å; A339-A341 VanDerWaalsContact C-N 3.28Å; A339-A341 PolarHBondContact O-N 3.27Å; A339-S342 WeakPolarHBondContact O-CA 3.48Å; A339-S342 PolarHBondContact O-N 2.9Å; A339-I344 HydrophobicContact CB-CG1 4.23Å; A339-V346 HydrophobicContact CB-CG2 3.88Å
340	K	95.8	Very high	94.8	Very high	168 Å²	168	46.4 Å²	46.4	73%	0.73	24%	0.239	S	C	*	.	H	α-helix	trans	-60.6	-37.2	175	-75.2	170.9	-177.7	172.7	0	112.2	D336 M337 S342	D336-K340 WeakPolarHBondContact O-CB 2.98Å; D336-K340 VanDerWaalsContact O-CG 3.28Å; D336-K340 WeakPolarHBondContact O-CG 3.26Å; D336-K340 PolarHBondContact O-N 3.05Å; M337-K340 PolarHBondContact O-N 3.44Å; K340-S342 PolarHBondContact O-N 2.81Å
341	A	95.2	Very high	94.8	Very high	11 Å²	11	46.9 Å²	46.9	9%	0.091	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	1.3	173.8	0	0	0	0	0	113.6	M337 L338 A339 K343	M337-A341 WeakPolarHBondContact O-CB 3.46Å; M337-A341 PolarHBondContact O-N 2.95Å; L338-A341 PolarHBondContact O-N 2.71Å; A339-A341 VanDerWaalsContact C-N 3.28Å; A339-A341 PolarHBondContact O-N 3.27Å; A341-K343 HydrophobicContact CB-CG 3.85Å; A341-K343 PolarHBondContact O-N 3.46Å
342	S	93.8	Very high	94.8	Very high	61 Å²	61	48.5 Å²	48.5	43%	0.427	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	28.4	-175.4	-60.4	0	0	0	0	113.8	R74 L338 A339 K340	R74-S342 WeakPolarHBondContact CD-O 3.46Å; L338-S342 PolarHBondContact O-N 2.65Å; A339-S342 WeakPolarHBondContact O-CA 3.48Å; A339-S342 PolarHBondContact O-N 2.9Å; K340-S342 PolarHBondContact O-N 2.81Å
343	K	95.4	Very high	94.9	Very high	13 Å²	13	49.5 Å²	49.5	6%	0.057	25%	0.252	C	S	.	.	S	Bend	trans	-88.3	-30.5	179.6	-68.9	-71.5	175.2	177.2	0	111.2	M76 D78 F85 L338 A341	M76-K343 HydrophobicContact CE-CB 3.6Å; M76-K343 HydrophobicContact CE-CD 3.43Å; M76-K343 VanDerWaalsContact CE-CD 3.43Å; M76-K343 HydrophobicContact CE-CG 4.1Å; M76-K343 WeakPolarHBondContact CE-O 3.32Å; M76-K343 PolarHBondContact O-NZ 2.74Å; D78-K343 PolarHBondContact O-NZ 3.36Å; F85-K343 HydrophobicContact CB-CG 4.42Å; F85-K343 HydrophobicContact CD1-CD 3.77Å; F85-K343 HydrophobicContact CD1-CG 4.25Å; F85-K343 HydrophobicContact CD2-CB 4.23Å; F85-K343 HydrophobicContact CD2-CD 3.97Å; F85-K343 HydrophobicContact CD2-CG 3.62Å; F85-K343 HydrophobicContact CE1-CD 3.7Å; F85-K343 HydrophobicContact CE1-CG 4.43Å; F85-K343 HydrophobicContact CE2-CB 4.12Å; F85-K343 HydrophobicContact CE2-CD 3.9Å; F85-K343 HydrophobicContact CE2-CG 3.84Å; F85-K343 HydrophobicContact CG-CD 3.9Å; F85-K343 HydrophobicContact CG-CG 3.83Å; F85-K343 HydrophobicContact CZ-CD 3.76Å; F85-K343 HydrophobicContact CZ-CG 4.24Å; L338-K343 HydrophobicContact CD2-CB 4.29Å; L338-K343 WeakPolarHBondContact O-CB 3.33Å; L338-K343 PolarHBondContact O-N 2.86Å; A341-K343 HydrophobicContact CB-CG 3.85Å; A341-K343 PolarHBondContact O-N 3.46Å
344	I	97.1	Very high	94.8	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	159.6	173.7	65.9	178.7	0	0	0	111	L284 L288 V294 V296 I335 L338 A339 V346	L284-I344 HydrophobicContact CD1-CG2 4.32Å; L284-I344 HydrophobicContact CD2-CD1 4.29Å; L288-I344 HydrophobicContact CD2-CG2 3.48Å; L288-I344 VanDerWaalsContact CD2-CG2 3.48Å; V294-I344 HydrophobicContact CB-CG2 4.11Å; V294-I344 HydrophobicContact CG1-CG2 4.16Å; V294-I344 VanDerWaalsContact O-CA 3.3Å; V294-I344 WeakPolarHBondContact O-CA 3.44Å; V296-I344 HydrophobicContact CG2-CB 4.26Å; V296-I344 HydrophobicContact CG2-CD1 3.97Å; I335-I344 HydrophobicContact CG2-CD1 3.95Å; L338-I344 HydrophobicContact CB-CD1 3.62Å; L338-I344 HydrophobicContact CB-CG1 3.74Å; L338-I344 HydrophobicContact CB-CG2 4.43Å; L338-I344 HydrophobicContact CD1-CD1 4.19Å; A339-I344 HydrophobicContact CB-CG1 4.23Å; I344-V346 HydrophobicContact CD1-CG2 3.69Å; I344-V346 HydrophobicContact CG1-CG2 3.92Å
345	E	97.3	Very high	94.7	Very high	87 Å²	87	50.3 Å²	50.3	41%	0.407	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.6	163.8	-169.9	170.7	-142.1	0	0	109.5	V294 N295 V296 Y347	V294-E345 PolarHBondContact O-N 2.77Å; N295-E345 CarbonylContact C-O 3.58Å; N295-E345 WeakPolarHBondContact CA-O 3.24Å; N295-E345 PolarHBondContact ND2-OE2 2.74Å; V296-E345 PolarHBondContact N-O 2.96Å; E345-Y347 HydrophobicContact CB-CE2 4.13Å; E345-Y347 VanDerWaalsContact CD-OH 3.26Å; E345-Y347 HydrophobicContact CG-CD2 4.35Å; E345-Y347 HydrophobicContact CG-CE2 3.62Å; E345-Y347 PolarHBondContact OE2-OH 3.21Å
346	V	97.3	Very high	94.5	Very high	30 Å²	30	52.9 Å²	52.9	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	121.3	-175.7	-174.8	0	0	0	0	110.4	V296 I335 A339 I344 R348	V296-V346 HydrophobicContact CB-CG2 4.48Å; I335-V346 HydrophobicContact CG2-CG1 4.35Å; I335-V346 HydrophobicContact CG2-CG2 3.74Å; A339-V346 HydrophobicContact CB-CG2 3.88Å; I344-V346 HydrophobicContact CD1-CG2 3.69Å; I344-V346 HydrophobicContact CG1-CG2 3.92Å; V346-R348 HydrophobicContact CG1-CG 4.45Å
347	Y	96.9	Very high	94.3	Very high	48 Å²	48	53 Å²	53	19%	0.188	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	102.2	177.4	-68	-104.5	0	0	0	108.5	Y166 N295 V296 Y297 E345 G349	Y166-Y347 HydrophobicContact CD1-CD1 4.2Å; Y166-Y347 AromaticContact CE1-CD1 3.93Å; Y166-Y347 HydrophobicContact CE1-CD1 3.93Å; N295-Y347 HydrophobicContact CB-CD2 4.41Å; N295-Y347 HydrophobicContact CB-CE2 3.91Å; N295-Y347 PolarHBondContact ND2-OH 3.28Å; V296-Y347 PolarHBondContact O-N 3.46Å; Y297-Y347 VanDerWaalsContact CD1-CB 3.45Å; Y297-Y347 HydrophobicContact CD1-CD1 4.07Å; Y297-Y347 AromaticContact CD1-CD2 3.86Å; Y297-Y347 HydrophobicContact CD1-CD2 3.86Å; Y297-Y347 AromaticContact CD1-CG 3.52Å; Y297-Y347 HydrophobicContact CD1-CG 3.52Å; Y297-Y347 AromaticContact CE1-CD1 3.53Å; Y297-Y347 HydrophobicContact CE1-CD1 3.53Å; Y297-Y347 AromaticContact CE1-CD2 3.4Å; Y297-Y347 HydrophobicContact CE1-CD2 3.4Å; Y297-Y347 VanDerWaalsContact CE1-CD2 3.4Å; Y297-Y347 AromaticContact CE1-CE1 3.91Å; Y297-Y347 HydrophobicContact CE1-CE1 3.91Å; Y297-Y347 AromaticContact CE1-CE2 3.84Å; Y297-Y347 HydrophobicContact CE1-CE2 3.84Å; Y297-Y347 AromaticContact CE1-CG 3.27Å; Y297-Y347 HydrophobicContact CE1-CG 3.27Å; Y297-Y347 HydrophobicContact CE2-CD2 4.22Å; Y297-Y347 HydrophobicContact CE2-CE2 4.49Å; Y297-Y347 HydrophobicContact CG-CD2 4.43Å; Y297-Y347 HydrophobicContact CG-CG 4.4Å; Y297-Y347 AromaticContact CZ-CD2 3.58Å; Y297-Y347 AromaticContact CZ-CE2 3.69Å; Y297-Y347 AromaticContact CZ-CG 3.97Å; Y297-Y347 WeakPolarHBondContact OH-CE2 3.48Å; E345-Y347 HydrophobicContact CB-CE2 4.13Å; E345-Y347 VanDerWaalsContact CD-OH 3.26Å; E345-Y347 HydrophobicContact CG-CD2 4.35Å; E345-Y347 HydrophobicContact CG-CE2 3.62Å; E345-Y347 PolarHBondContact OE2-OH 3.21Å; Y347-G349 VanDerWaalsContact C-N 3.27Å; Y347-G349 PolarHBondContact O-N 2.84Å
348	R	92.8	Very high	94.1	Very high	120 Å²	120	54 Å²	54	45%	0.453	28%	0.277	S	S	.	.			trans	-76.1	-10.6	-171	-64.7	-70.7	177.3	170.6	-0.6	114.4	N160 D336 V346	N160-R348 PolarHBondContact ND2-O 3.07Å; D336-R348 IonicContact OD1-CZ 2.78Å; D336-R348 IonicContact OD1-NH1 3.75Å; D336-R348 PolarHBondContact OD1-NH1 2.88Å; D336-R348 IonicContact OD1-NH2 3.82Å; D336-R348 PolarHBondContact OD1-NH2 2.92Å; V346-R348 HydrophobicContact CG1-CG 4.45Å
349	G	90.3	Very high	93.8	Very high	21 Å²	21	58.5 Å²	58.5	22%	0.216	30%	0.3	C	S	.	.			trans	64.4	-153.4	-179.5	0	0	0	0	0	112.8	N160 Y166 Y347	N160-G349 CarbonylContact O-C 3.14Å; N160-G349 VanDerWaalsContact O-CA 3.24Å; N160-G349 WeakPolarHBondContact O-CA 3.35Å; Y166-G349 WeakPolarHBondContact OH-CA 3.35Å; Y166-G349 PolarHBondContact OH-N 2.84Å; Y166-G349 VanDerWaalsContact OH-N 3.08Å; Y347-G349 VanDerWaalsContact C-N 3.27Å; Y347-G349 PolarHBondContact O-N 2.84Å
350	N	77.2	Confident	93.6	Very high	100 Å²	100	61.1 Å²	61.1	54%	0.535	31%	0.305	S	S	.	.			trans	-103.2	0	-175.6	-70.4	-33.8	0	0	0	115.1	N160 R162 G163 S164 S303	N160-N350 PolarHBondContact O-N 3Å; R162-N350 PolarHBondContact O-ND2 3.15Å; G163-N350 PolarHBondContact O-ND2 3.33Å; S164-N350 PolarHBondContact N-ND2 3.11Å; S303-N350 WeakPolarHBondContact CB-OXT 3.45Å; S303-N350 PolarHBondContact N-O 2.92Å; S303-N350 PolarHBondContact OG-OXT 2.96Å

Retrieved 350 of 350 residues in 1405.5 ms (Link to these results)

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