A0A087X8L9_POEFO Loading...

Methyltransferase HEMK2

Methyltransferase that can methylate proteins and, to a lower extent, arsenic. Catalytic subunit of a heterodimer with TRMT112, which monomethylates 'Lys-12' of histone H4 (H4K12me1), a modification present at the promoters of numerous genes encoding cell cycle regulators. Catalytic subunit of a heterodimer with TRMT112, which catalyzes N5-methylation of Glu residue of proteins with a Gly-Gln-Xaa-Xaa-Xaa-Arg motif. Methylates ETF1 on 'Gln-185'; ETF1 needs to be complexed to ERF3 in its GTP-bound form to be efficiently methylated. May also play a role in the modulation of arsenic-induced toxicity by mediating the conversion of monomethylarsonous acid (3+) into the less toxic dimethylarsonic acid. It however only plays a limited role in arsenic metabolism compared with AS3MT.

AlphaFold DB , UniProt , Accession A0A087X8L9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 218 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.4	Very low	82	Confident	245 Å²	245	86.9 Å²	86.9	100%	1.207	52%	0.517	S	S	*	.				0	126.7	0	-72.2	172.2	172.9	0	0	106.1	S3	M1-S3 PolarHBondContact O-N 2.98Å
2	S	45.8	Very low	83.2	Confident	118 Å²	118	82.1 Å²	82.1	83%	0.825	49%	0.485	S	S	*	.			trans	-66.5	125	171.2	-179.8	0	0	0	0	106.8	S4	S2-S4 PolarHBondContact O-N 2.8Å
3	S	57.7	Low	84.2	Confident	60 Å²	60	75.8 Å²	75.8	42%	0.42	45%	0.447	S	S	.	.			trans	-62.7	139.2	171.6	77.1	0	0	0	0	108	M1 Y5	M1-S3 PolarHBondContact O-N 2.98Å; S3-Y5 WeakPolarHBondContact CB-O 3.43Å; S3-Y5 PolarHBondContact OG-O 3.1Å
4	S	82.5	Confident	84.9	Confident	98 Å²	98	72.5 Å²	72.5	69%	0.685	44%	0.438	S	S	*	.	S	Bend	trans	-76.7	-19.8	177.1	-63.7	0	0	0	0	110.8	S2 E36	S2-S4 PolarHBondContact O-N 2.8Å; S4-E36 PolarHBondContact N-OE1 3.15Å
5	Y	91.5	Very high	85.5	Confident	43 Å²	43	78.7 Å²	78.7	17%	0.169	45%	0.45	C	S	.	.	S	Bend	trans	-124.6	117.7	177.5	-55.3	-83.9	0	0	0	109.1	S3 E36 A39 Q43 F63 V67	S3-Y5 WeakPolarHBondContact CB-O 3.43Å; S3-Y5 PolarHBondContact OG-O 3.1Å; Y5-E36 HydrophobicContact CD2-CG 4.02Å; Y5-E36 PolarHBondContact N-OE1 3.25Å; Y5-A39 HydrophobicContact CE2-CB 3.79Å; Y5-Q43 PolarHBondContact OH-NE2 2.85Å; Y5-F63 VanDerWaalsContact CB-CE2 3.49Å; Y5-F63 HydrophobicContact CG-CZ 4.46Å; Y5-V67 HydrophobicContact CD1-CG2 3.83Å; Y5-V67 HydrophobicContact CD2-CG2 3.97Å; Y5-V67 HydrophobicContact CE1-CB 4.34Å; Y5-V67 HydrophobicContact CE1-CG2 4.07Å; Y5-V67 HydrophobicContact CE2-CG2 4.19Å; Y5-V67 HydrophobicContact CG-CG2 3.78Å
6	P	94.3	Very high	86.1	Confident	98 Å²	98	77.6 Å²	77.6	64%	0.636	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-71	149.8	176.2	30	-33.6	0	0	0	110.2
7	T	97	Very high	86.5	Confident	74 Å²	74	78.3 Å²	78.3	45%	0.454	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-58.6	132.8	169.7	-46.8	0	0	0	0	109.8	Y10 F29 M32	T7-Y10 HydrophobicContact CG2-CD1 4.23Å; T7-Y10 HydrophobicContact CG2-CE1 3.62Å; T7-F29 HydrophobicContact CG2-CD1 4.33Å; T7-F29 HydrophobicContact CG2-CE1 3.85Å; T7-M32 HydrophobicContact CG2-SD 4.07Å
8	P	97.9	Very high	87.1	Confident	10 Å²	10	75.2 Å²	75.2	7%	0.065	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-63.2	157.8	-179.1	-25.8	38.3	0	0	0	112.3	Y10 A59 A62 F63 N94	P8-Y10 WeakPolarHBondContact O-CD1 3.22Å; P8-Y10 PolarHBondContact O-N 3.39Å; P8-A59 WeakPolarHBondContact CG-O 3.42Å; P8-A62 HydrophobicContact CB-CB 3.94Å; P8-A62 HydrophobicContact CG-CB 3.98Å; P8-F63 HydrophobicContact CG-CB 3.8Å; P8-F63 HydrophobicContact CG-CD2 4.42Å; P8-N94 WeakPolarHBondContact CA-OD1 3.43Å; P8-N94 WeakPolarHBondContact CB-OD1 3.44Å
9	V	98	Very high	87.4	Confident	73 Å²	73	77.8 Å²	77.8	44%	0.442	46%	0.457	S	S	.	.			trans	-70.2	115.9	171.8	179.9	0	0	0	0	109.5	C93 N94	V9-C93 HydrophobicContact CB-CB 4.34Å; V9-C93 HydrophobicContact CG1-CB 4.28Å; V9-N94 PolarHBondContact N-ND2 2.98Å; V9-N94 PolarHBondContact N-OD1 3.39Å; V9-N94 PolarHBondContact O-ND2 3.16Å
10	Y	97	Very high	87.6	Confident	58 Å²	58	77.7 Å²	77.7	23%	0.227	46%	0.455	C	S	.	.			trans	-129.8	12.1	179	59.7	-100.8	0	0	0	113.8	T7 P8 H12 A13 P24 F29 A59	T7-Y10 HydrophobicContact CG2-CD1 4.23Å; T7-Y10 HydrophobicContact CG2-CE1 3.62Å; P8-Y10 WeakPolarHBondContact O-CD1 3.22Å; P8-Y10 PolarHBondContact O-N 3.39Å; Y10-H12 PolarHBondContact O-N 3.08Å; Y10-A13 WeakPolarHBondContact O-CB 3.42Å; Y10-A13 PolarHBondContact O-N 3.23Å; Y10-P24 HydrophobicContact CD1-CG 4.11Å; Y10-P24 HydrophobicContact CD2-CG 3.86Å; Y10-P24 HydrophobicContact CE1-CG 4.48Å; Y10-P24 HydrophobicContact CE2-CB 4.46Å; Y10-P24 HydrophobicContact CE2-CG 4.22Å; Y10-P24 HydrophobicContact CG-CG 3.83Å; Y10-F29 HydrophobicContact CE1-CE1 4.28Å; Y10-F29 HydrophobicContact CE1-CZ 4.48Å; Y10-A59 HydrophobicContact CD1-CB 4.28Å
11	S	96.6	Very high	88	Confident	79 Å²	79	74.1 Å²	74.1	55%	0.552	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.3	-168.3	58.1	0	0	0	0	116.4
12	H	97.3	Very high	90.4	Very high	29 Å²	29	65.2 Å²	65.2	13%	0.134	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-20.8	172	54.4	-83.3	0	0	0	113.7	Y10 R15 F18 C86 T90	Y10-H12 PolarHBondContact O-N 3.08Å; H12-R15 PolarHBondContact O-N 2.82Å; H12-F18 HydrophobicContact CB-CD2 3.99Å; H12-F18 HydrophobicContact CB-CE2 4.21Å; H12-F18 AromaticContact CD2-CD2 3.67Å; H12-F18 AromaticContact CD2-CE2 3.69Å; H12-F18 WeakPolarHBondContact O-CD2 3.46Å; H12-C86 PolarHBondContact CD2-SG 3.23Å; H12-C86 PolarHBondContact NE2-O 2.95Å; H12-T90 PolarHBondContact CE1-OG1 2.9Å; H12-T90 PolarHBondContact NE2-N 2.89Å; H12-T90 PolarHBondContact NE2-OG1 3.39Å
13	A	96.2	Very high	92.8	Very high	0 Å²	0	64 Å²	64	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	146.2	174.9	0	0	0	0	0	110.9	Y10 R15	Y10-A13 WeakPolarHBondContact O-CB 3.42Å; Y10-A13 PolarHBondContact O-N 3.23Å; A13-R15 PolarHBondContact O-N 3.2Å
14	G	94.1	Very high	94.7	Very high	30 Å²	30	61.7 Å²	61.7	31%	0.309	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	7.9	-177.1	0	0	0	0	0	114.7	F18	G14-F18 VanDerWaalsContact CA-O 3.29Å; G14-F18 WeakPolarHBondContact CA-O 3.32Å; G14-F18 PolarHBondContact N-O 3.02Å
15	R	93.8	Very high	95.3	Very high	166 Å²	166	58.2 Å²	58.2	63%	0.626	33%	0.329	S	S	*	.	S	Bend	trans	-137.1	149.7	-174.9	-57	-178.7	-171.5	-151.4	-0.1	112.6	H12 A13 S17 F18 Q19	H12-R15 PolarHBondContact O-N 2.82Å; A13-R15 PolarHBondContact O-N 3.2Å; R15-S17 PolarHBondContact O-N 3.23Å; R15-F18 CarbonylContact O-C 3.5Å; R15-F18 WeakPolarHBondContact O-CA 3.48Å; R15-F18 PolarHBondContact O-N 3.1Å; R15-Q19 PolarHBondContact O-N 3.03Å
16	G	94.8	Very high	95.5	Very high	61 Å²	61	61.9 Å²	61.9	63%	0.629	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	54.4	-123.8	173.5	0	0	0	0	0	112.2	F18 Q19	G16-F18 PolarHBondContact O-N 3.4Å; G16-F18 VanDerWaalsContact O-N 3.13Å; G16-Q19 PolarHBondContact O-N 2.69Å
17	S	93.4	Very high	95.6	Very high	89 Å²	89	57.4 Å²	57.4	62%	0.622	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-65.3	-10.8	177.4	57.3	0	0	0	0	114.5	R15	R15-S17 PolarHBondContact O-N 3.23Å
18	F	95.9	Very high	95.7	Very high	22 Å²	22	54.1 Å²	54.1	10%	0.096	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-117.6	23.1	-179.9	-48.3	-58.7	0	0	0	112.1	H12 G14 R15 G16 D20 V21 Q85 C86 R89	H12-F18 HydrophobicContact CB-CD2 3.99Å; H12-F18 HydrophobicContact CB-CE2 4.21Å; H12-F18 AromaticContact CD2-CD2 3.67Å; H12-F18 AromaticContact CD2-CE2 3.69Å; H12-F18 WeakPolarHBondContact O-CD2 3.46Å; G14-F18 VanDerWaalsContact CA-O 3.29Å; G14-F18 WeakPolarHBondContact CA-O 3.32Å; G14-F18 PolarHBondContact N-O 3.02Å; R15-F18 CarbonylContact O-C 3.5Å; R15-F18 WeakPolarHBondContact O-CA 3.48Å; R15-F18 PolarHBondContact O-N 3.1Å; G16-F18 PolarHBondContact O-N 3.4Å; G16-F18 VanDerWaalsContact O-N 3.13Å; F18-D20 PolarHBondContact O-N 3.35Å; F18-V21 HydrophobicContact CB-CB 4.16Å; F18-V21 HydrophobicContact CB-CG2 3.92Å; F18-V21 HydrophobicContact CD1-CG2 4.33Å; F18-V21 WeakPolarHBondContact O-CB 3.28Å; F18-V21 PolarHBondContact O-N 3Å; F18-Q85 HydrophobicContact CE1-CB 3.91Å; F18-C86 HydrophobicContact CB-CB 4.42Å; F18-C86 HydrophobicContact CD1-CB 3.55Å; F18-C86 HydrophobicContact CE1-CB 3.85Å; F18-C86 HydrophobicContact CG-CB 3.91Å; F18-C86 HydrophobicContact CZ-CB 4.43Å; F18-R89 HydrophobicContact CE2-CB 4.29Å; F18-R89 HydrophobicContact CE2-CG 4.26Å; F18-R89 HydrophobicContact CZ-CB 4.19Å
19	Q	94.1	Very high	95.7	Very high	125 Å²	125	56.6 Å²	56.6	58%	0.584	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-32.8	179.2	67.4	177.4	28.9	0	0	113.2	R15 G16	R15-Q19 PolarHBondContact O-N 3.03Å; G16-Q19 PolarHBondContact O-N 2.69Å
20	D	90.8	Very high	95.7	Very high	76 Å²	76	53.4 Å²	53.4	41%	0.406	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	15.8	-178.3	-55.6	-51.2	0	0	0	112.3	F18 N80 V139	F18-D20 PolarHBondContact O-N 3.35Å; D20-N80 PolarHBondContact O-ND2 3.41Å; D20-V139 HydrophobicContact CB-CB 4.34Å
21	V	95.4	Very high	95.8	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	28%	0.278	C	S	.	.	S	Bend	trans	-100.8	133.7	175.5	-179.9	0	0	0	0	109.1	F18 E23 A82 A83 C86	F18-V21 HydrophobicContact CB-CB 4.16Å; F18-V21 HydrophobicContact CB-CG2 3.92Å; F18-V21 HydrophobicContact CD1-CG2 4.33Å; F18-V21 WeakPolarHBondContact O-CB 3.28Å; F18-V21 PolarHBondContact O-N 3Å; V21-E23 PolarHBondContact O-N 3.18Å; V21-A82 HydrophobicContact CG2-CB 3.79Å; V21-A83 HydrophobicContact CG1-CB 4.2Å; V21-A83 HydrophobicContact CG2-CB 4.4Å; V21-C86 HydrophobicContact CG1-CB 4Å; V21-C86 HydrophobicContact CG2-CB 4.17Å
22	Y	94.1	Very high	95.9	Very high	57 Å²	57	47 Å²	47	22%	0.224	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-54.4	120.1	177.7	-172.9	-109.3	0	0	0	112	A25 D27 A142	Y22-A25 WeakPolarHBondContact OH-CB 3.47Å; Y22-D27 PolarHBondContact OH-OD1 3.43Å; Y22-D27 PolarHBondContact OH-OD2 3.47Å; Y22-A142 HydrophobicContact CD2-CB 3.98Å; Y22-A142 HydrophobicContact CG-CB 4.18Å
23	E	96.3	Very high	95.9	Very high	94 Å²	94	49.6 Å²	49.6	44%	0.439	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-78.1	132.2	171.5	-172.5	170.1	-168.4	0	0	108.8	V21 A25	V21-E23 PolarHBondContact O-N 3.18Å; E23-A25 PolarHBondContact O-N 2.9Å
24	P	97	Very high	96	Very high	10 Å²	10	49.6 Å²	49.6	7%	0.065	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-51.5	126.9	177.4	-29.1	36.6	0	0	0	112.6	Y10 F29 S57 A59	Y10-P24 HydrophobicContact CD1-CG 4.11Å; Y10-P24 HydrophobicContact CD2-CG 3.86Å; Y10-P24 HydrophobicContact CE1-CG 4.48Å; Y10-P24 HydrophobicContact CE2-CB 4.46Å; Y10-P24 HydrophobicContact CE2-CG 4.22Å; Y10-P24 HydrophobicContact CG-CG 3.83Å; P24-F29 HydrophobicContact CB-CE1 4.13Å; P24-F29 HydrophobicContact CB-CZ 3.96Å; P24-S57 VanDerWaalsContact CG-OG 3.28Å; P24-S57 WeakPolarHBondContact CG-OG 3.43Å; P24-A59 HydrophobicContact CG-CB 3.71Å
25	A	95.8	Very high	96.2	Very high	25 Å²	25	48.1 Å²	48.1	21%	0.207	25%	0.252	C	S	.	.			trans	-124.6	-165.6	177.6	0	0	0	0	0	111.3	Y22 E23 D27 S28 F29	Y22-A25 WeakPolarHBondContact OH-CB 3.47Å; E23-A25 PolarHBondContact O-N 2.9Å; A25-D27 PolarHBondContact O-N 3.49Å; A25-D27 VanDerWaalsContact O-N 3.13Å; A25-S28 WeakPolarHBondContact O-CB 3.47Å; A25-S28 PolarHBondContact O-N 3.34Å; A25-F29 VanDerWaalsContact C-CD2 3.44Å; A25-F29 WeakPolarHBondContact O-CD2 3.46Å; A25-F29 WeakPolarHBondContact O-CG 3.32Å; A25-F29 PolarHBondContact O-N 3.03Å
26	E	96.3	Very high	96.4	Very high	120 Å²	120	42.5 Å²	42.5	56%	0.561	23%	0.233	S	C	*	.	H	α-helix	trans	-54.5	-33.7	-174.4	-68.3	82.9	175.8	0	0	113.7	L30 A202 L207	E26-L30 VanDerWaalsContact O-CB 3.23Å; E26-L30 WeakPolarHBondContact O-CB 3.4Å; E26-L30 PolarHBondContact O-N 3.19Å; E26-A202 HydrophobicContact CB-CB 3.8Å; E26-A202 HydrophobicContact CG-CB 3.93Å; E26-L207 HydrophobicContact CB-CD1 4.15Å
27	D	96.8	Very high	96.5	Very high	5 Å²	5	46 Å²	46	3%	0.027	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-43.3	175.5	63.9	-25.4	0	0	0	112.9	Y22 A25 L30 L31 N123 Y126 V173 L207	Y22-D27 PolarHBondContact OH-OD1 3.43Å; Y22-D27 PolarHBondContact OH-OD2 3.47Å; A25-D27 PolarHBondContact O-N 3.49Å; A25-D27 VanDerWaalsContact O-N 3.13Å; D27-L30 PolarHBondContact O-N 2.82Å; D27-L31 PolarHBondContact O-N 3.2Å; D27-N123 PolarHBondContact OD2-ND2 3.24Å; D27-N123 PolarHBondContact OD2-OD1 2.87Å; D27-Y126 HydrophobicContact CB-CE1 4.02Å; D27-Y126 WeakPolarHBondContact CB-OH 3.22Å; D27-Y126 VanDerWaalsContact CG-OH 3.29Å; D27-Y126 PolarHBondContact OD2-OH 2.94Å; D27-Y126 VanDerWaalsContact OD2-OH 3.14Å; D27-V173 HydrophobicContact CB-CG1 4.2Å; D27-L207 HydrophobicContact CB-CD1 4.31Å; D27-L207 HydrophobicContact CB-CD2 4.12Å
28	S	97.9	Very high	96.7	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.035	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-43.8	177.4	-57.3	0	0	0	0	110.6	A25 L31 M32	A25-S28 WeakPolarHBondContact O-CB 3.47Å; A25-S28 PolarHBondContact O-N 3.34Å; S28-L31 PolarHBondContact O-N 3.09Å; S28-M32 WeakPolarHBondContact O-CG 3.46Å; S28-M32 PolarHBondContact O-N 3.3Å
29	F	97.8	Very high	96.8	Very high	61 Å²	61	41.6 Å²	41.6	27%	0.268	20%	0.202	S	C	.	.	H	α-helix	trans	-67.6	-39.3	176.5	-58.6	-51.2	0	0	0	111.8	T7 Y10 P24 A25 L31 M32 D33	T7-F29 HydrophobicContact CG2-CD1 4.33Å; T7-F29 HydrophobicContact CG2-CE1 3.85Å; Y10-F29 HydrophobicContact CE1-CE1 4.28Å; Y10-F29 HydrophobicContact CE1-CZ 4.48Å; P24-F29 HydrophobicContact CB-CE1 4.13Å; P24-F29 HydrophobicContact CB-CZ 3.96Å; A25-F29 VanDerWaalsContact C-CD2 3.44Å; A25-F29 WeakPolarHBondContact O-CD2 3.46Å; A25-F29 WeakPolarHBondContact O-CG 3.32Å; A25-F29 PolarHBondContact O-N 3.03Å; F29-L31 VanDerWaalsContact C-N 3.28Å; F29-L31 PolarHBondContact O-N 3.4Å; F29-M32 HydrophobicContact CD1-SD 4.26Å; F29-M32 PolarHBondContact O-N 2.99Å; F29-M32 VanDerWaalsContact O-N 3.16Å; F29-D33 VanDerWaalsContact O-CG 3.3Å; F29-D33 PolarHBondContact O-N 3.27Å
30	L	98	Very high	96.9	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.031	21%	0.207	C	C	.	.	H	α-helix	trans	-61.6	-38	174.3	-174.1	71.8	0	0	0	112	E26 D27 D33 A34 L198 T200 L207 V209	E26-L30 VanDerWaalsContact O-CB 3.23Å; E26-L30 WeakPolarHBondContact O-CB 3.4Å; E26-L30 PolarHBondContact O-N 3.19Å; D27-L30 PolarHBondContact O-N 2.82Å; L30-D33 PolarHBondContact O-N 3.32Å; L30-A34 WeakPolarHBondContact O-CB 3.3Å; L30-A34 PolarHBondContact O-N 3.35Å; L30-L198 HydrophobicContact CD1-CB 4.4Å; L30-L198 HydrophobicContact CD1-CD2 3.55Å; L30-L198 HydrophobicContact CD1-CG 3.78Å; L30-L198 HydrophobicContact CG-CD2 4.37Å; L30-T200 HydrophobicContact CD1-CG2 3.74Å; L30-T200 HydrophobicContact CD2-CG2 4.06Å; L30-T200 HydrophobicContact CG-CG2 4.37Å; L30-L207 HydrophobicContact CD2-CB 3.54Å; L30-V209 HydrophobicContact CD2-CG2 3.93Å; L30-V209 HydrophobicContact CG-CG2 3.8Å
31	L	98.7	Very high	97.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-42.6	174.3	-177.3	55.4	0	0	0	111.5	D27 S28 F29 A34 L35 V60 N123 V173 V209	D27-L31 PolarHBondContact O-N 3.2Å; S28-L31 PolarHBondContact O-N 3.09Å; F29-L31 VanDerWaalsContact C-N 3.28Å; F29-L31 PolarHBondContact O-N 3.4Å; L31-A34 PolarHBondContact O-N 3.08Å; L31-L35 VanDerWaalsContact O-CG 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.49Å; L31-L35 PolarHBondContact O-N 2.98Å; L31-V60 HydrophobicContact CD2-CG1 3.71Å; L31-V60 HydrophobicContact CD2-CG2 4.34Å; L31-V60 HydrophobicContact CG-CG1 3.93Å; L31-N123 HydrophobicContact CD2-CB 4.23Å; L31-V173 HydrophobicContact CB-CG2 3.96Å; L31-V173 HydrophobicContact CD1-CG2 4.35Å; L31-V173 HydrophobicContact CD2-CG2 4.01Å; L31-V173 HydrophobicContact CG-CG2 4.33Å; L31-V209 HydrophobicContact CD1-CG1 3.94Å; L31-V209 HydrophobicContact CD1-CG2 4.45Å
32	M	98.6	Very high	97.3	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.02	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-43.9	173.6	-66.5	176.9	-160.3	0	0	111.8	T7 S28 F29 A34 L35 E36 A59 V60 F63	T7-M32 HydrophobicContact CG2-SD 4.07Å; S28-M32 WeakPolarHBondContact O-CG 3.46Å; S28-M32 PolarHBondContact O-N 3.3Å; F29-M32 HydrophobicContact CD1-SD 4.26Å; F29-M32 PolarHBondContact O-N 2.99Å; F29-M32 VanDerWaalsContact O-N 3.16Å; M32-A34 VanDerWaalsContact C-N 3.3Å; M32-A34 PolarHBondContact O-N 3.23Å; M32-L35 CarbonylContact O-C 3.5Å; M32-L35 WeakPolarHBondContact O-CB 3.45Å; M32-L35 PolarHBondContact O-N 3.25Å; M32-L35 VanDerWaalsContact O-N 3.09Å; M32-E36 PolarHBondContact O-N 3.44Å; M32-A59 HydrophobicContact CE-CB 3.67Å; M32-V60 HydrophobicContact CE-CB 4.45Å; M32-V60 HydrophobicContact CE-CG2 3.76Å; M32-V60 HydrophobicContact CG-CG2 4.35Å; M32-F63 HydrophobicContact CB-CD1 3.88Å; M32-F63 HydrophobicContact CB-CD2 4.39Å; M32-F63 HydrophobicContact CB-CE1 3.93Å; M32-F63 HydrophobicContact CB-CE2 4.4Å; M32-F63 HydrophobicContact CB-CG 4.11Å; M32-F63 HydrophobicContact CB-CZ 4.18Å; M32-F63 HydrophobicContact CG-CB 4.03Å; M32-F63 HydrophobicContact CG-CD1 3.91Å; M32-F63 HydrophobicContact CG-CD2 4.31Å; M32-F63 HydrophobicContact CG-CE1 4.47Å; M32-F63 HydrophobicContact CG-CG 3.81Å; M32-F63 VanDerWaalsContact O-CE1 3.23Å; M32-F63 WeakPolarHBondContact O-CE1 3.26Å; M32-F63 HydrophobicContact SD-CB 4.18Å; M32-F63 HydrophobicContact SD-CD2 4.22Å; M32-F63 HydrophobicContact SD-CG 4.16Å
33	D	98.1	Very high	97.5	Very high	82 Å²	82	43.3 Å²	43.3	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-61.2	-38.8	176.7	-70.6	-12.5	0	0	0	111.7	F29 L30 L35 E36 K37 L198	F29-D33 VanDerWaalsContact O-CG 3.3Å; F29-D33 PolarHBondContact O-N 3.27Å; L30-D33 PolarHBondContact O-N 3.32Å; D33-L35 VanDerWaalsContact C-N 3.35Å; D33-E36 PolarHBondContact O-N 3.03Å; D33-K37 VanDerWaalsContact O-CB 3.32Å; D33-K37 WeakPolarHBondContact O-CB 3.24Å; D33-K37 PolarHBondContact O-N 2.59Å; D33-L198 HydrophobicContact CB-CD2 3.62Å
34	A	98.4	Very high	97.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66	-37.3	174.9	0	0	0	0	0	112.1	L30 L31 M32 D38 L198 V209	L30-A34 WeakPolarHBondContact O-CB 3.3Å; L30-A34 PolarHBondContact O-N 3.35Å; L31-A34 PolarHBondContact O-N 3.08Å; M32-A34 VanDerWaalsContact C-N 3.3Å; M32-A34 PolarHBondContact O-N 3.23Å; A34-D38 PolarHBondContact O-N 2.81Å; A34-L198 HydrophobicContact CB-CB 4.31Å; A34-L198 HydrophobicContact CB-CD2 4.42Å; A34-V209 HydrophobicContact CB-CB 3.97Å; A34-V209 HydrophobicContact CB-CG1 3.74Å; A34-V209 HydrophobicContact CB-CG2 4.08Å
35	L	98.5	Very high	97.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-71.1	-38.5	174.6	-65.9	173.9	0	0	0	112.2	L31 M32 D33 D38 A39 L42 V60 F63 L64 L121 Y171	L31-L35 VanDerWaalsContact O-CG 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.49Å; L31-L35 PolarHBondContact O-N 2.98Å; M32-L35 CarbonylContact O-C 3.5Å; M32-L35 WeakPolarHBondContact O-CB 3.45Å; M32-L35 PolarHBondContact O-N 3.25Å; M32-L35 VanDerWaalsContact O-N 3.09Å; D33-L35 VanDerWaalsContact C-N 3.35Å; L35-D38 CarbonylContact O-C 3.58Å; L35-D38 PolarHBondContact O-N 2.86Å; L35-A39 PolarHBondContact O-N 3Å; L35-L42 HydrophobicContact CD2-CD1 4.07Å; L35-V60 HydrophobicContact CD1-CG1 3.92Å; L35-F63 HydrophobicContact CB-CD1 4.29Å; L35-F63 HydrophobicContact CB-CE1 4.04Å; L35-F63 HydrophobicContact CD1-CD1 4.39Å; L35-L64 HydrophobicContact CD1-CB 4.32Å; L35-L64 HydrophobicContact CD1-CD1 4.4Å; L35-L64 HydrophobicContact CD2-CD1 4.26Å; L35-L121 HydrophobicContact CD1-CD1 4.01Å; L35-L121 HydrophobicContact CD1-CD2 4.29Å; L35-L121 HydrophobicContact CD2-CD2 3.84Å; L35-Y171 HydrophobicContact CD2-CD1 4.26Å; L35-Y171 HydrophobicContact CD2-CD2 4.08Å; L35-Y171 HydrophobicContact CD2-CE1 4.2Å; L35-Y171 HydrophobicContact CD2-CE2 4.04Å; L35-Y171 HydrophobicContact CD2-CG 4.2Å
36	E	97.9	Very high	97.5	Very high	48 Å²	48	49.9 Å²	49.9	22%	0.224	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-44.4	174.5	-174.9	163.8	-153.6	0	0	111	S4 Y5 M32 D33 D38 A39 F63	S4-E36 PolarHBondContact N-OE1 3.15Å; Y5-E36 HydrophobicContact CD2-CG 4.02Å; Y5-E36 PolarHBondContact N-OE1 3.25Å; M32-E36 PolarHBondContact O-N 3.44Å; D33-E36 PolarHBondContact O-N 3.03Å; E36-D38 PolarHBondContact O-N 3.04Å; E36-A39 WeakPolarHBondContact O-CB 3.49Å; E36-A39 PolarHBondContact O-N 3.19Å; E36-F63 HydrophobicContact CB-CE1 4.33Å; E36-F63 HydrophobicContact CB-CZ 4Å
37	K	97.2	Very high	97.6	Very high	134 Å²	134	44.3 Å²	44.3	58%	0.583	22%	0.222	S	C	*	.	H	α-helix	trans	-57.8	-33.6	175.3	-179	179.4	175.1	-179.2	0	112.4	D33 C197	D33-K37 VanDerWaalsContact O-CB 3.32Å; D33-K37 WeakPolarHBondContact O-CB 3.24Å; D33-K37 PolarHBondContact O-N 2.59Å; K37-C197 PolarHBondContact NZ-O 2.89Å
38	D	97.6	Very high	97.7	Very high	12 Å²	12	47.8 Å²	47.8	6%	0.064	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	7.4	178.6	-74.1	-15.4	0	0	0	113.5	A34 L35 E36 E40 T41 L42 Y171 R211	A34-D38 PolarHBondContact O-N 2.81Å; L35-D38 CarbonylContact O-C 3.58Å; L35-D38 PolarHBondContact O-N 2.86Å; E36-D38 PolarHBondContact O-N 3.04Å; D38-E40 PolarHBondContact O-N 2.7Å; D38-T41 WeakPolarHBondContact O-CA 3.06Å; D38-T41 WeakPolarHBondContact O-CB 3.23Å; D38-T41 PolarHBondContact O-N 3.2Å; D38-L42 HydrophobicContact CB-CD1 4.24Å; D38-L42 HydrophobicContact CB-CG 4.3Å; D38-L42 WeakPolarHBondContact O-CG 3.48Å; D38-L42 PolarHBondContact O-N 3.33Å; D38-Y171 VanDerWaalsContact OD2-CE1 3.24Å; D38-Y171 WeakPolarHBondContact OD2-CE1 3.21Å; D38-Y171 PolarHBondContact OD2-OH 2.84Å; D38-R211 IonicContact OD1-NH1 2.91Å; D38-R211 PolarHBondContact OD1-NH1 2.79Å; D38-R211 WeakPolarHBondContact OD2-CD 3.39Å; D38-R211 IonicContact OD2-CZ 3.24Å; D38-R211 IonicContact OD2-NE 3.79Å; D38-R211 IonicContact OD2-NH1 3.68Å; D38-R211 PolarHBondContact OD2-NH1 3.49Å
39	A	97.8	Very high	97.7	Very high	7 Å²	7	48.6 Å²	48.6	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-54.2	-46.6	-171.6	0	0	0	0	0	113.3	Y5 L35 E36 T41 L42 Q43 V67	Y5-A39 HydrophobicContact CE2-CB 3.79Å; L35-A39 PolarHBondContact O-N 3Å; E36-A39 WeakPolarHBondContact O-CB 3.49Å; E36-A39 PolarHBondContact O-N 3.19Å; A39-T41 VanDerWaalsContact C-N 3.31Å; A39-T41 PolarHBondContact O-N 3.24Å; A39-L42 PolarHBondContact O-N 3.06Å; A39-Q43 WeakPolarHBondContact O-CB 3.3Å; A39-Q43 VanDerWaalsContact O-CG 3.26Å; A39-Q43 WeakPolarHBondContact O-CG 3.21Å; A39-Q43 PolarHBondContact O-N 3.44Å; A39-V67 HydrophobicContact CB-CG1 3.66Å
40	E	97	Very high	97.8	Very high	144 Å²	144	45.8 Å²	45.8	67%	0.673	24%	0.239	S	C	*	.	H	α-helix	trans	-60.6	-41	177.8	-66.8	-176.2	-178.1	0	0	111.9	D38 Q44	D38-E40 PolarHBondContact O-N 2.7Å; E40-Q44 WeakPolarHBondContact O-CB 3.38Å; E40-Q44 WeakPolarHBondContact O-CG 3.38Å; E40-Q44 PolarHBondContact O-N 2.87Å
41	T	96.8	Very high	97.8	Very high	63 Å²	63	45.5 Å²	45.5	39%	0.387	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-46.7	177.9	-62.5	0	0	0	0	110.5	D38 A39 Q43 Q44 M45	D38-T41 WeakPolarHBondContact O-CA 3.06Å; D38-T41 WeakPolarHBondContact O-CB 3.23Å; D38-T41 PolarHBondContact O-N 3.2Å; A39-T41 VanDerWaalsContact C-N 3.31Å; A39-T41 PolarHBondContact O-N 3.24Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 2.95Å; T41-Q44 PolarHBondContact O-N 3.25Å; T41-M45 HydrophobicContact CG2-CG 4.45Å; T41-M45 HydrophobicContact CG2-SD 4.05Å; T41-M45 WeakPolarHBondContact O-CB 3.46Å; T41-M45 VanDerWaalsContact O-CG 3.25Å; T41-M45 WeakPolarHBondContact O-CG 3.33Å; T41-M45 PolarHBondContact O-N 3.21Å
42	L	97.8	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-40.2	179.2	-68	170.6	0	0	0	111.6	L35 D38 A39 M45 S46 P47 L64 V67 V68 V119 L169	L35-L42 HydrophobicContact CD2-CD1 4.07Å; D38-L42 HydrophobicContact CB-CD1 4.24Å; D38-L42 HydrophobicContact CB-CG 4.3Å; D38-L42 WeakPolarHBondContact O-CG 3.48Å; D38-L42 PolarHBondContact O-N 3.33Å; A39-L42 PolarHBondContact O-N 3.06Å; L42-M45 PolarHBondContact O-N 3.48Å; L42-S46 PolarHBondContact O-N 3.25Å; L42-P47 WeakPolarHBondContact O-CD 3.49Å; L42-L64 HydrophobicContact CD1-CD1 4.1Å; L42-V67 HydrophobicContact CD1-CG1 4.31Å; L42-V68 HydrophobicContact CB-CG2 4.15Å; L42-V119 HydrophobicContact CD2-CG2 3.8Å; L42-L169 HydrophobicContact CD2-CD1 4.17Å
43	Q	96.8	Very high	97.9	Very high	90 Å²	90	45.7 Å²	45.7	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-66.6	-45.3	175.9	-74.1	175	-18.7	0	0	112.2	Y5 A39 T41 M45 S46 V67	Y5-Q43 PolarHBondContact OH-NE2 2.85Å; A39-Q43 WeakPolarHBondContact O-CB 3.3Å; A39-Q43 VanDerWaalsContact O-CG 3.26Å; A39-Q43 WeakPolarHBondContact O-CG 3.21Å; A39-Q43 PolarHBondContact O-N 3.44Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 2.95Å; Q43-M45 VanDerWaalsContact C-N 3.3Å; Q43-M45 PolarHBondContact O-N 2.9Å; Q43-S46 PolarHBondContact O-N 3.24Å; Q43-S46 VanDerWaalsContact O-N 3.15Å; Q43-V67 VanDerWaalsContact CG-O 3.31Å; Q43-V67 WeakPolarHBondContact CG-O 3.18Å; Q43-V67 PolarHBondContact NE2-O 3.41Å
44	Q	96.9	Very high	97.9	Very high	157 Å²	157	43.1 Å²	43.1	73%	0.734	23%	0.232	S	C	*	.	H	α-helix	trans	-64.1	-34.9	176.9	-73.2	170.8	16.8	0	0	112.5	E40 T41 S46	E40-Q44 WeakPolarHBondContact O-CB 3.38Å; E40-Q44 WeakPolarHBondContact O-CG 3.38Å; E40-Q44 PolarHBondContact O-N 2.87Å; T41-Q44 PolarHBondContact O-N 3.25Å; Q44-S46 PolarHBondContact O-N 3.37Å
45	M	96.6	Very high	97.8	Very high	37 Å²	37	43.4 Å²	43.4	18%	0.182	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-28.5	175.3	-78.1	177.3	57.5	0	0	112.9	T41 L42 Q43 R167 L169	T41-M45 HydrophobicContact CG2-CG 4.45Å; T41-M45 HydrophobicContact CG2-SD 4.05Å; T41-M45 WeakPolarHBondContact O-CB 3.46Å; T41-M45 VanDerWaalsContact O-CG 3.25Å; T41-M45 WeakPolarHBondContact O-CG 3.33Å; T41-M45 PolarHBondContact O-N 3.21Å; L42-M45 PolarHBondContact O-N 3.48Å; Q43-M45 VanDerWaalsContact C-N 3.3Å; Q43-M45 PolarHBondContact O-N 2.9Å; M45-R167 WeakPolarHBondContact CE-O 3.33Å; M45-L169 HydrophobicContact CE-CD1 4.13Å; M45-L169 HydrophobicContact CE-CG 3.99Å; M45-L169 HydrophobicContact SD-CD1 3.55Å; M45-L169 VanDerWaalsContact SD-CD1 3.55Å; M45-L169 HydrophobicContact SD-CG 4.01Å
46	S	97	Very high	97.8	Very high	72 Å²	72	43.9 Å²	43.9	50%	0.503	24%	0.238	S	C	.	.			trans	46.6	61.8	-175.8	-161.2	0	0	0	0	111.7	L42 Q43 Q44	L42-S46 PolarHBondContact O-N 3.25Å; Q43-S46 PolarHBondContact O-N 3.24Å; Q43-S46 VanDerWaalsContact O-N 3.15Å; Q44-S46 PolarHBondContact O-N 3.37Å
47	P	98.1	Very high	97.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.019	23%	0.23	C	C	.	.			trans	-61.2	141.4	-174.1	28.1	-37.4	0	0	0	110.9	L42 V68 A72 D118 V119	L42-P47 WeakPolarHBondContact O-CD 3.49Å; P47-V68 HydrophobicContact CG-CB 4.37Å; P47-V68 HydrophobicContact CG-CG1 3.43Å; P47-V68 VanDerWaalsContact CG-CG1 3.43Å; P47-V68 HydrophobicContact CG-CG2 3.95Å; P47-A72 WeakPolarHBondContact O-CB 3.2Å; P47-D118 HydrophobicContact CB-CB 3.49Å; P47-D118 VanDerWaalsContact CB-CB 3.49Å; P47-V119 HydrophobicContact CB-CG2 3.92Å; P47-V119 HydrophobicContact CG-CG2 4.07Å
48	C	98.3	Very high	97.9	Very high	79 Å²	79	35.5 Å²	35.5	53%	0.534	20%	0.202	S	C	.	.	S	Bend	trans	-91.8	-35.3	176.9	-63	0	0	0	0	111.7	L73 D118	C48-L73 PolarHBondContact O-N 2.8Å; C48-D118 PolarHBondContact N-OD2 3.46Å
49	V	98.8	Very high	97.9	Very high	21 Å²	21	35 Å²	35	13%	0.127	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118.5	-177.8	-174.9	0	0	0	0	110.6	V51 L113 K116 D118 V119	V49-V51 HydrophobicContact CG1-CG2 4.16Å; V49-L113 HydrophobicContact CG1-CD2 4.49Å; V49-K116 WeakPolarHBondContact CB-O 3.29Å; V49-D118 PolarHBondContact N-OD2 3.32Å; V49-D118 PolarHBondContact O-N 2.93Å; V49-V119 PolarHBondContact O-N 3.23Å
50	C	98.9	Very high	98	Very high	2 Å²	2	35 Å²	35	1%	0.014	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.7	174.2	-61	0	0	0	0	109.1	L64 L73 Y74 L75 V119	C50-L64 HydrophobicContact CB-CD2 3.79Å; C50-L73 PolarHBondContact N-O 2.86Å; C50-Y74 HydrophobicContact CB-CD1 3.65Å; C50-Y74 HydrophobicContact CB-CE1 3.95Å; C50-L75 PolarHBondContact O-N 3Å; C50-V119 CarbonylContact C-O 3.57Å; C50-V119 VanDerWaalsContact CA-O 3.29Å; C50-V119 WeakPolarHBondContact CA-O 3.32Å; C50-V119 HydrophobicContact CB-CB 4.36Å
51	V	98.9	Very high	98.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129	178.5	-177.5	0	0	0	0	109.8	V49 V53 L75 L109 L113 V117 V119 L120 L121	V49-V51 HydrophobicContact CG1-CG2 4.16Å; V51-V53 HydrophobicContact CG1-CG2 4.44Å; V51-L75 CarbonylContact C-O 3.55Å; V51-L75 VanDerWaalsContact CA-O 3.26Å; V51-L75 WeakPolarHBondContact CA-O 3.39Å; V51-L75 HydrophobicContact CG2-CB 4.27Å; V51-L75 HydrophobicContact CG2-CD1 4.46Å; V51-L109 HydrophobicContact CG1-CD1 4.14Å; V51-L113 HydrophobicContact CG2-CD1 4.05Å; V51-V117 HydrophobicContact CB-CG1 3.99Å; V51-V117 HydrophobicContact CG2-CB 4.4Å; V51-V117 HydrophobicContact CG2-CG1 3.77Å; V51-V117 HydrophobicContact CG2-CG2 3.72Å; V51-V119 PolarHBondContact N-O 2.77Å; V51-L120 HydrophobicContact CB-CD1 3.78Å; V51-L120 HydrophobicContact CG1-CD1 3.92Å; V51-L120 CarbonylContact O-C 3Å; V51-L120 WeakPolarHBondContact O-CA 3.21Å; V51-L121 PolarHBondContact O-N 2.91Å
52	E	98.9	Very high	98.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132	164.4	-178.4	176.5	-152.1	0	0	110.1	S55 V60 S61 L75 C76 T77 L121	E52-S55 WeakPolarHBondContact OE2-CB 3.29Å; E52-V60 WeakPolarHBondContact OE1-CB 3.41Å; E52-S61 WeakPolarHBondContact CB-OG 3.39Å; E52-S61 WeakPolarHBondContact OE2-CB 3.33Å; E52-S61 PolarHBondContact OE2-N 2.94Å; E52-S61 PolarHBondContact OE2-OG 2.97Å; E52-L75 PolarHBondContact N-O 2.92Å; E52-C76 CarbonylContact O-C 3.59Å; E52-C76 WeakPolarHBondContact O-CA 3.36Å; E52-T77 PolarHBondContact O-N 3.09Å; E52-T77 PolarHBondContact O-OG1 3.19Å; E52-L121 HydrophobicContact CB-CB 4.25Å; E52-L121 HydrophobicContact CG-CB 4.2Å
53	V	98.8	Very high	98.2	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131	171.4	-173.9	0	0	0	0	109.4	V51 T77 L105 V106 L120 L121 F122 F156	V51-V53 HydrophobicContact CG1-CG2 4.44Å; V53-T77 WeakPolarHBondContact CA-OG1 3.49Å; V53-L105 HydrophobicContact CG1-CD2 3.99Å; V53-V106 HydrophobicContact CG2-CG1 3.61Å; V53-L120 HydrophobicContact CG2-CD1 4.19Å; V53-L121 PolarHBondContact N-O 2.86Å; V53-F122 HydrophobicContact CB-CB 4.48Å; V53-F122 HydrophobicContact CB-CD2 3.81Å; V53-F122 HydrophobicContact CB-CE2 4.11Å; V53-F122 HydrophobicContact CB-CG 4.14Å; V53-F122 HydrophobicContact CG1-CD2 4Å; V53-F122 HydrophobicContact CG1-CE2 3.76Å; V53-F122 HydrophobicContact CG1-CZ 4.08Å; V53-F122 WeakPolarHBondContact O-CD2 3.41Å; V53-F156 HydrophobicContact CB-CZ 4.4Å; V53-F156 HydrophobicContact CG2-CE1 4.39Å; V53-F156 HydrophobicContact CG2-CE2 3.84Å; V53-F156 HydrophobicContact CG2-CZ 3.59Å
54	G	98	Very high	98.3	Very high	29 Å²	29	21.4 Å²	21.4	30%	0.299	13%	0.131	S	C	.	.	S	Bend	trans	66.2	59.3	-174.2	0	0	0	0	0	111.9	G56 T77	G54-G56 VanDerWaalsContact C-N 3.25Å; G54-G56 PolarHBondContact O-N 3.11Å; G54-T77 VanDerWaalsContact CA-O 3.29Å; G54-T77 WeakPolarHBondContact CA-O 3.3Å; G54-T77 PolarHBondContact N-O 2.88Å
55	S	98.2	Very high	98.4	Very high	5 Å²	5	14.2 Å²	14.2	4%	0.035	10%	0.099	C	C	.	.			trans	-68.2	-20.7	-171.5	65.3	0	0	0	0	114.7	E52 S57 G58 T77 D78 T87	E52-S55 WeakPolarHBondContact OE2-CB 3.29Å; S55-S57 PolarHBondContact O-N 2.82Å; S55-G58 WeakPolarHBondContact O-CA 3.33Å; S55-G58 PolarHBondContact O-N 3.31Å; S55-T77 PolarHBondContact N-O 3.34Å; S55-D78 PolarHBondContact N-OD2 3.17Å; S55-T87 PolarHBondContact OG-OG1 3.38Å
56	G	97.6	Very high	98.4	Very high	10 Å²	10	14.9 Å²	14.9	10%	0.103	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-116.3	177.9	0	0	0	0	0	111.8	G54 G58 D78 A83 T87	G54-G56 VanDerWaalsContact C-N 3.25Å; G54-G56 PolarHBondContact O-N 3.11Å; G56-G58 PolarHBondContact O-N 2.95Å; G56-D78 PolarHBondContact N-OD2 3.13Å; G56-A83 CarbonylContact O-C 3.6Å; G56-A83 WeakPolarHBondContact O-CA 3.23Å; G56-A83 WeakPolarHBondContact O-CB 3.35Å; G56-T87 PolarHBondContact O-OG1 2.9Å
57	S	98.3	Very high	98.5	Very high	7 Å²	7	11.6 Å²	11.6	5%	0.049	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-20.7	175.9	65.7	0	0	0	0	114.3	P24 S55 A59 T90	P24-S57 VanDerWaalsContact CG-OG 3.28Å; P24-S57 WeakPolarHBondContact CG-OG 3.43Å; S55-S57 PolarHBondContact O-N 2.82Å; S57-A59 VanDerWaalsContact C-N 3.29Å; S57-A59 WeakPolarHBondContact OG-CB 3.16Å; S57-A59 PolarHBondContact OG-N 2.86Å; S57-T90 WeakPolarHBondContact O-CB 3.46Å; S57-T90 PolarHBondContact O-OG1 2.98Å
58	G	98.6	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	79.4	7	-172.8	0	0	0	0	0	114.2	S55 G56 A62 T87	S55-G58 WeakPolarHBondContact O-CA 3.33Å; S55-G58 PolarHBondContact O-N 3.31Å; G56-G58 PolarHBondContact O-N 2.95Å; G58-A62 WeakPolarHBondContact O-CB 3.28Å; G58-A62 PolarHBondContact O-N 3.15Å; G58-T87 WeakPolarHBondContact CA-OG1 3.13Å; G58-T87 PolarHBondContact N-OG1 2.9Å
59	A	98.7	Very high	98.4	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-64.4	-40.7	-176.1	0	0	0	0	0	112.4	P8 Y10 P24 M32 S57 A62 F63	P8-A59 WeakPolarHBondContact CG-O 3.42Å; Y10-A59 HydrophobicContact CD1-CB 4.28Å; P24-A59 HydrophobicContact CG-CB 3.71Å; M32-A59 HydrophobicContact CE-CB 3.67Å; S57-A59 VanDerWaalsContact C-N 3.29Å; S57-A59 WeakPolarHBondContact OG-CB 3.16Å; S57-A59 PolarHBondContact OG-N 2.86Å; A59-A62 PolarHBondContact O-N 3.33Å; A59-F63 WeakPolarHBondContact O-CB 3.34Å; A59-F63 PolarHBondContact O-N 3.38Å
60	V	98.8	Very high	98.3	Very high	6 Å²	6	15 Å²	15	4%	0.036	11%	0.108	C	C	.	.	H	α-helix	trans	-69.5	-44.2	-179.7	-179.2	0	0	0	0	110.9	L31 M32 L35 E52 A62 F63 L64 L121	L31-V60 HydrophobicContact CD2-CG1 3.71Å; L31-V60 HydrophobicContact CD2-CG2 4.34Å; L31-V60 HydrophobicContact CG-CG1 3.93Å; M32-V60 HydrophobicContact CE-CB 4.45Å; M32-V60 HydrophobicContact CE-CG2 3.76Å; M32-V60 HydrophobicContact CG-CG2 4.35Å; L35-V60 HydrophobicContact CD1-CG1 3.92Å; E52-V60 WeakPolarHBondContact OE1-CB 3.41Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 3.38Å; V60-F63 WeakPolarHBondContact O-CB 3.37Å; V60-F63 PolarHBondContact O-N 3.4Å; V60-F63 VanDerWaalsContact O-N 3.17Å; V60-L64 PolarHBondContact O-N 2.8Å; V60-L121 HydrophobicContact CG1-CD1 3.74Å
61	S	98.9	Very high	98.1	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-57.8	-42.5	171.5	-81.3	0	0	0	0	113	E52 F63 L64 A65 C76	E52-S61 WeakPolarHBondContact CB-OG 3.39Å; E52-S61 WeakPolarHBondContact OE2-CB 3.33Å; E52-S61 PolarHBondContact OE2-N 2.94Å; E52-S61 PolarHBondContact OE2-OG 2.97Å; S61-F63 VanDerWaalsContact C-N 3.31Å; S61-F63 PolarHBondContact O-N 3.31Å; S61-L64 PolarHBondContact O-N 2.87Å; S61-A65 WeakPolarHBondContact O-CB 3.43Å; S61-A65 PolarHBondContact O-N 2.82Å; S61-C76 VanDerWaalsContact CB-SG 3.58Å; S61-C76 PolarHBondContact OG-SG 2.73Å
62	A	98.8	Very high	98.1	Very high	2 Å²	2	20 Å²	20	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-64.6	-37.8	176.5	0	0	0	0	0	111.9	P8 G58 A59 V60 A65 S66 T90 V96 L98	P8-A62 HydrophobicContact CB-CB 3.94Å; P8-A62 HydrophobicContact CG-CB 3.98Å; G58-A62 WeakPolarHBondContact O-CB 3.28Å; G58-A62 PolarHBondContact O-N 3.15Å; A59-A62 PolarHBondContact O-N 3.33Å; V60-A62 VanDerWaalsContact C-N 3.32Å; V60-A62 PolarHBondContact O-N 3.38Å; A62-A65 PolarHBondContact O-N 2.86Å; A62-S66 PolarHBondContact O-N 3.48Å; A62-S66 VanDerWaalsContact O-N 3.14Å; A62-T90 HydrophobicContact CB-CG2 3.94Å; A62-V96 HydrophobicContact CB-CG2 4.03Å; A62-L98 HydrophobicContact CB-CD1 4.29Å
63	F	98.8	Very high	98.1	Very high	5 Å²	5	23.5 Å²	23.5	2%	0.022	16%	0.162	C	C	.	.	H	α-helix	trans	-64.7	-50.3	174.9	-176.5	-95.2	0	0	0	111.2	Y5 P8 M32 L35 E36 A59 V60 S61 A65 S66 V67	Y5-F63 VanDerWaalsContact CB-CE2 3.49Å; Y5-F63 HydrophobicContact CG-CZ 4.46Å; P8-F63 HydrophobicContact CG-CB 3.8Å; P8-F63 HydrophobicContact CG-CD2 4.42Å; M32-F63 HydrophobicContact CB-CD1 3.88Å; M32-F63 HydrophobicContact CB-CD2 4.39Å; M32-F63 HydrophobicContact CB-CE1 3.93Å; M32-F63 HydrophobicContact CB-CE2 4.4Å; M32-F63 HydrophobicContact CB-CG 4.11Å; M32-F63 HydrophobicContact CB-CZ 4.18Å; M32-F63 HydrophobicContact CG-CB 4.03Å; M32-F63 HydrophobicContact CG-CD1 3.91Å; M32-F63 HydrophobicContact CG-CD2 4.31Å; M32-F63 HydrophobicContact CG-CE1 4.47Å; M32-F63 HydrophobicContact CG-CG 3.81Å; M32-F63 VanDerWaalsContact O-CE1 3.23Å; M32-F63 WeakPolarHBondContact O-CE1 3.26Å; M32-F63 HydrophobicContact SD-CB 4.18Å; M32-F63 HydrophobicContact SD-CD2 4.22Å; M32-F63 HydrophobicContact SD-CG 4.16Å; L35-F63 HydrophobicContact CB-CD1 4.29Å; L35-F63 HydrophobicContact CB-CE1 4.04Å; L35-F63 HydrophobicContact CD1-CD1 4.39Å; E36-F63 HydrophobicContact CB-CE1 4.33Å; E36-F63 HydrophobicContact CB-CZ 4Å; A59-F63 WeakPolarHBondContact O-CB 3.34Å; A59-F63 PolarHBondContact O-N 3.38Å; V60-F63 WeakPolarHBondContact O-CB 3.37Å; V60-F63 PolarHBondContact O-N 3.4Å; V60-F63 VanDerWaalsContact O-N 3.17Å; S61-F63 VanDerWaalsContact C-N 3.31Å; S61-F63 PolarHBondContact O-N 3.31Å; F63-A65 PolarHBondContact O-N 2.9Å; F63-S66 WeakPolarHBondContact O-CA 3.43Å; F63-S66 WeakPolarHBondContact O-CB 3.25Å; F63-S66 PolarHBondContact O-N 3.32Å; F63-S66 PolarHBondContact O-OG 3.29Å; F63-V67 HydrophobicContact CD1-CG2 4.13Å; F63-V67 HydrophobicContact CE1-CG2 3.75Å; F63-V67 HydrophobicContact CZ-CG2 4.17Å; F63-V67 PolarHBondContact O-N 2.99Å; F63-V67 VanDerWaalsContact O-N 3.1Å
64	L	98.8	Very high	98.1	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-55.5	-41.7	175.5	180	66.7	0	0	0	111.3	L35 L42 C50 V60 S61 S66 V67 V68 Y74 V119 L121	L35-L64 HydrophobicContact CD1-CB 4.32Å; L35-L64 HydrophobicContact CD1-CD1 4.4Å; L35-L64 HydrophobicContact CD2-CD1 4.26Å; L42-L64 HydrophobicContact CD1-CD1 4.1Å; C50-L64 HydrophobicContact CB-CD2 3.79Å; V60-L64 PolarHBondContact O-N 2.8Å; S61-L64 PolarHBondContact O-N 2.87Å; L64-S66 VanDerWaalsContact C-N 3.26Å; L64-S66 PolarHBondContact O-N 3.44Å; L64-V67 PolarHBondContact O-N 2.75Å; L64-V67 VanDerWaalsContact O-N 3.11Å; L64-V68 HydrophobicContact CD1-CG2 3.71Å; L64-V68 HydrophobicContact CG-CG2 4.2Å; L64-V68 WeakPolarHBondContact O-CB 3.38Å; L64-V68 PolarHBondContact O-N 2.89Å; L64-Y74 HydrophobicContact CD2-CE1 4.39Å; L64-Y74 HydrophobicContact CG-CE1 4.25Å; L64-V119 HydrophobicContact CD1-CG1 4.29Å; L64-V119 HydrophobicContact CD2-CB 4.31Å; L64-V119 HydrophobicContact CD2-CG1 3.81Å; L64-L121 HydrophobicContact CB-CD1 4.38Å; L64-L121 HydrophobicContact CD2-CD1 3.87Å; L64-L121 HydrophobicContact CD2-CG 4.38Å
65	A	98.5	Very high	98.1	Very high	6 Å²	6	23.5 Å²	23.5	5%	0.05	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-32.4	177.4	0	0	0	0	0	113.4	S61 A62 F63 G69 Y74 V96 L98	S61-A65 WeakPolarHBondContact O-CB 3.43Å; S61-A65 PolarHBondContact O-N 2.82Å; A62-A65 PolarHBondContact O-N 2.86Å; F63-A65 PolarHBondContact O-N 2.9Å; A65-G69 WeakPolarHBondContact O-CA 3.29Å; A65-G69 PolarHBondContact O-N 3.24Å; A65-Y74 VanDerWaalsContact CA-CZ 3.45Å; A65-Y74 WeakPolarHBondContact CA-OH 3.29Å; A65-Y74 HydrophobicContact CB-CD1 4.07Å; A65-Y74 HydrophobicContact CB-CD2 4.12Å; A65-Y74 HydrophobicContact CB-CE1 3.78Å; A65-Y74 HydrophobicContact CB-CE2 3.84Å; A65-Y74 HydrophobicContact CB-CG 4.25Å; A65-V96 HydrophobicContact CB-CB 4.03Å; A65-V96 HydrophobicContact CB-CG1 4.01Å; A65-L98 HydrophobicContact CB-CD2 4.37Å
66	S	97.7	Very high	98.2	Very high	52 Å²	52	23.2 Å²	23.2	36%	0.364	15%	0.153	S	C	.	.	H	α-helix	trans	-71.9	-32.5	173.1	78.9	0	0	0	0	113.2	A62 F63 L64	A62-S66 PolarHBondContact O-N 3.48Å; A62-S66 VanDerWaalsContact O-N 3.14Å; F63-S66 WeakPolarHBondContact O-CA 3.43Å; F63-S66 WeakPolarHBondContact O-CB 3.25Å; F63-S66 PolarHBondContact O-N 3.32Å; F63-S66 PolarHBondContact O-OG 3.29Å; L64-S66 VanDerWaalsContact C-N 3.26Å; L64-S66 PolarHBondContact O-N 3.44Å
67	V	97.7	Very high	98.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-74.8	-48.7	178.2	173.4	0	0	0	0	111.5	Y5 A39 L42 Q43 F63 L64	Y5-V67 HydrophobicContact CD1-CG2 3.83Å; Y5-V67 HydrophobicContact CD2-CG2 3.97Å; Y5-V67 HydrophobicContact CE1-CB 4.34Å; Y5-V67 HydrophobicContact CE1-CG2 4.07Å; Y5-V67 HydrophobicContact CE2-CG2 4.19Å; Y5-V67 HydrophobicContact CG-CG2 3.78Å; A39-V67 HydrophobicContact CB-CG1 3.66Å; L42-V67 HydrophobicContact CD1-CG1 4.31Å; Q43-V67 VanDerWaalsContact CG-O 3.31Å; Q43-V67 WeakPolarHBondContact CG-O 3.18Å; Q43-V67 PolarHBondContact NE2-O 3.41Å; F63-V67 HydrophobicContact CD1-CG2 4.13Å; F63-V67 HydrophobicContact CE1-CG2 3.75Å; F63-V67 HydrophobicContact CZ-CG2 4.17Å; F63-V67 PolarHBondContact O-N 2.99Å; F63-V67 VanDerWaalsContact O-N 3.1Å; L64-V67 PolarHBondContact O-N 2.75Å; L64-V67 VanDerWaalsContact O-N 3.11Å
68	V	97.6	Very high	98.2	Very high	20 Å²	20	23.5 Å²	23.5	12%	0.121	15%	0.151	C	C	.	.	H	α-helix	trans	-84.2	-35.3	-173.3	166.2	0	0	0	0	112.3	L42 P47 L64 A72 Y74	L42-V68 HydrophobicContact CB-CG2 4.15Å; P47-V68 HydrophobicContact CG-CB 4.37Å; P47-V68 HydrophobicContact CG-CG1 3.43Å; P47-V68 VanDerWaalsContact CG-CG1 3.43Å; P47-V68 HydrophobicContact CG-CG2 3.95Å; L64-V68 HydrophobicContact CD1-CG2 3.71Å; L64-V68 HydrophobicContact CG-CG2 4.2Å; L64-V68 WeakPolarHBondContact O-CB 3.38Å; L64-V68 PolarHBondContact O-N 2.89Å; V68-A72 HydrophobicContact CG1-CB 3.88Å; V68-Y74 VanDerWaalsContact CB-OH 3.26Å; V68-Y74 WeakPolarHBondContact CB-OH 3.46Å; V68-Y74 WeakPolarHBondContact CG1-OH 3.42Å
69	G	96.6	Very high	98	Very high	17 Å²	17	27.7 Å²	27.7	18%	0.175	18%	0.177	C	C	.	.			trans	95.2	176.3	179.4	0	0	0	0	0	115.1	A65 S71 Y74	A65-G69 WeakPolarHBondContact O-CA 3.29Å; A65-G69 PolarHBondContact O-N 3.24Å; G69-S71 VanDerWaalsContact C-N 3.31Å; G69-S71 PolarHBondContact O-N 2.91Å; G69-Y74 PolarHBondContact O-OH 2.78Å
70	P	96.3	Very high	97.9	Very high	138 Å²	138	29.2 Å²	29.2	90%	0.896	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-5.3	-162.9	31.3	-37.4	0	0	0	115.4
71	S	96.5	Very high	97.7	Very high	97 Å²	97	32 Å²	32	68%	0.678	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-18.6	-176.7	54.1	0	0	0	0	114.1	G69	G69-S71 VanDerWaalsContact C-N 3.31Å; G69-S71 PolarHBondContact O-N 2.91Å
72	A	98.4	Very high	97.6	Very high	10 Å²	10	33 Å²	33	8%	0.083	21%	0.211	C	C	.	.	S	Bend	trans	-84.3	151.6	177.9	0	0	0	0	0	111.5	P47 V68 Y74	P47-A72 WeakPolarHBondContact O-CB 3.2Å; V68-A72 HydrophobicContact CG1-CB 3.88Å; A72-Y74 HydrophobicContact CB-CE1 4.28Å; A72-Y74 HydrophobicContact CB-CE2 3.92Å; A72-Y74 WeakPolarHBondContact O-CD2 3.12Å; A72-Y74 VanDerWaalsContact O-CE2 3.25Å; A72-Y74 WeakPolarHBondContact O-CE2 3.27Å
73	L	98.8	Very high	97.5	Very high	79 Å²	79	33 Å²	33	41%	0.414	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.9	165.8	174.6	64.5	0	0	0	109.5	C48 C50 L75 Q99	C48-L73 PolarHBondContact O-N 2.8Å; C50-L73 PolarHBondContact N-O 2.86Å; L73-L75 HydrophobicContact CD1-CD2 4.03Å; L73-L75 HydrophobicContact CD2-CD1 4.26Å; L73-L75 HydrophobicContact CD2-CD2 4.1Å; L73-L75 HydrophobicContact CD2-CG 4.13Å; L73-L75 HydrophobicContact CG-CD2 4.05Å; L73-L75 HydrophobicContact CG-CG 4.07Å; L73-Q99 HydrophobicContact CD1-CG 4.17Å
74	Y	98.9	Very high	97.4	Very high	9 Å²	9	33.1 Å²	33.1	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	107.6	176.2	-56.9	-86.1	0	0	0	110.5	C50 L64 A65 V68 G69 A72 A97 L98 Q99	C50-Y74 HydrophobicContact CB-CD1 3.65Å; C50-Y74 HydrophobicContact CB-CE1 3.95Å; L64-Y74 HydrophobicContact CD2-CE1 4.39Å; L64-Y74 HydrophobicContact CG-CE1 4.25Å; A65-Y74 VanDerWaalsContact CA-CZ 3.45Å; A65-Y74 WeakPolarHBondContact CA-OH 3.29Å; A65-Y74 HydrophobicContact CB-CD1 4.07Å; A65-Y74 HydrophobicContact CB-CD2 4.12Å; A65-Y74 HydrophobicContact CB-CE1 3.78Å; A65-Y74 HydrophobicContact CB-CE2 3.84Å; A65-Y74 HydrophobicContact CB-CG 4.25Å; V68-Y74 VanDerWaalsContact CB-OH 3.26Å; V68-Y74 WeakPolarHBondContact CB-OH 3.46Å; V68-Y74 WeakPolarHBondContact CG1-OH 3.42Å; G69-Y74 PolarHBondContact O-OH 2.78Å; A72-Y74 HydrophobicContact CB-CE1 4.28Å; A72-Y74 HydrophobicContact CB-CE2 3.92Å; A72-Y74 WeakPolarHBondContact O-CD2 3.12Å; A72-Y74 VanDerWaalsContact O-CE2 3.25Å; A72-Y74 WeakPolarHBondContact O-CE2 3.27Å; Y74-A97 WeakPolarHBondContact CD2-O 3.39Å; Y74-L98 HydrophobicContact CG-CD2 4.05Å; Y74-Q99 PolarHBondContact O-N 2.84Å
75	L	98.9	Very high	97.4	Very high	22 Å²	22	38.6 Å²	38.6	12%	0.115	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	138.4	172.6	-57.1	176.1	0	0	0	109.5	C50 V51 E52 L73 Q99 L109 L113	C50-L75 PolarHBondContact O-N 3Å; V51-L75 CarbonylContact C-O 3.55Å; V51-L75 VanDerWaalsContact CA-O 3.26Å; V51-L75 WeakPolarHBondContact CA-O 3.39Å; V51-L75 HydrophobicContact CG2-CB 4.27Å; V51-L75 HydrophobicContact CG2-CD1 4.46Å; E52-L75 PolarHBondContact N-O 2.92Å; L73-L75 HydrophobicContact CD1-CD2 4.03Å; L73-L75 HydrophobicContact CD2-CD1 4.26Å; L73-L75 HydrophobicContact CD2-CD2 4.1Å; L73-L75 HydrophobicContact CD2-CG 4.13Å; L73-L75 HydrophobicContact CG-CD2 4.05Å; L73-L75 HydrophobicContact CG-CG 4.07Å; L75-Q99 HydrophobicContact CD2-CB 3.72Å; L75-Q99 HydrophobicContact CD2-CG 4.35Å; L75-L109 HydrophobicContact CD1-CD1 4.48Å; L75-L109 HydrophobicContact CD1-CD2 4.31Å; L75-L113 HydrophobicContact CD1-CD1 3.49Å; L75-L113 VanDerWaalsContact CD1-CD1 3.49Å; L75-L113 HydrophobicContact CD1-CD2 4.46Å
76	C	98.6	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137	177.4	-51.3	0	0	0	0	107.5	E52 S61 T87 Q99 P100 V101	E52-C76 CarbonylContact O-C 3.59Å; E52-C76 WeakPolarHBondContact O-CA 3.36Å; S61-C76 VanDerWaalsContact CB-SG 3.58Å; S61-C76 PolarHBondContact OG-SG 2.73Å; C76-T87 HydrophobicContact CB-CG2 3.97Å; C76-Q99 PolarHBondContact N-O 3.2Å; C76-P100 HydrophobicContact CB-CB 4.45Å; C76-P100 CarbonylContact O-C 3.53Å; C76-P100 VanDerWaalsContact O-CA 3.28Å; C76-P100 WeakPolarHBondContact O-CA 3.27Å; C76-V101 PolarHBondContact O-N 3.05Å
77	T	98.7	Very high	97.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.7	174.8	53.4	0	0	0	0	109.9	E52 V53 G54 S55 V101 T103 L105 L109	E52-T77 PolarHBondContact O-N 3.09Å; E52-T77 PolarHBondContact O-OG1 3.19Å; V53-T77 WeakPolarHBondContact CA-OG1 3.49Å; G54-T77 VanDerWaalsContact CA-O 3.29Å; G54-T77 WeakPolarHBondContact CA-O 3.3Å; G54-T77 PolarHBondContact N-O 2.88Å; S55-T77 PolarHBondContact N-O 3.34Å; T77-V101 WeakPolarHBondContact CA-O 3.27Å; T77-V101 HydrophobicContact CG2-CB 4.4Å; T77-T103 HydrophobicContact CG2-CG2 3.5Å; T77-L105 VanDerWaalsContact CB-O 3.23Å; T77-L105 WeakPolarHBondContact CB-O 3.23Å; T77-L105 PolarHBondContact OG1-O 2.49Å; T77-L109 HydrophobicContact CG2-CD1 3.69Å; T77-L109 HydrophobicContact CG2-CG 4.25Å
78	D	97.9	Very high	97.5	Very high	21 Å²	21	38 Å²	38	11%	0.112	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	147	170.2	-152	-64.4	0	0	0	109.6	S55 G56 N80 A83 V101 I102 T103	S55-D78 PolarHBondContact N-OD2 3.17Å; G56-D78 PolarHBondContact N-OD2 3.13Å; D78-N80 VanDerWaalsContact C-N 3.35Å; D78-N80 WeakPolarHBondContact OD1-CB 3.33Å; D78-N80 PolarHBondContact OD1-N 3.39Å; D78-A83 HydrophobicContact CB-CB 3.96Å; D78-A83 VanDerWaalsContact CG-CB 3.4Å; D78-A83 WeakPolarHBondContact OD2-CB 3.46Å; D78-V101 PolarHBondContact N-O 2.85Å; D78-I102 VanDerWaalsContact O-CA 3.27Å; D78-I102 WeakPolarHBondContact O-CA 3.43Å; D78-T103 CarbonylContact C-O 3.53Å; D78-T103 PolarHBondContact O-N 3.21Å
79	V	95.4	Very high	97.5	Very high	88 Å²	88	43.3 Å²	43.3	53%	0.533	26%	0.255	S	S	.	.	S	Bend	trans	-79.3	-25.8	174.8	70.6	0	0	0	0	110.9	P81 T103	V79-P81 WeakPolarHBondContact O-CD 3.25Å; V79-T103 PolarHBondContact N-O 3.02Å
80	N	94.6	Very high	97.6	Very high	34 Å²	34	42.5 Å²	42.5	18%	0.182	25%	0.246	C	C	.	.	S	Bend	trans	-84.4	115.9	178.7	-178.3	-7.4	0	0	0	110.6	D20 D78 A82 A83 A84	D20-N80 PolarHBondContact O-ND2 3.41Å; D78-N80 VanDerWaalsContact C-N 3.35Å; D78-N80 WeakPolarHBondContact OD1-CB 3.33Å; D78-N80 PolarHBondContact OD1-N 3.39Å; N80-A82 PolarHBondContact O-N 2.9Å; N80-A82 WeakPolarHBondContact OD1-CB 3.35Å; N80-A82 PolarHBondContact OD1-N 3.37Å; N80-A83 HydrophobicContact CB-CB 3.92Å; N80-A83 WeakPolarHBondContact O-CB 3.28Å; N80-A83 PolarHBondContact O-N 2.9Å; N80-A84 PolarHBondContact O-N 3.34Å
81	P	95.5	Very high	97.8	Very high	65 Å²	65	36.2 Å²	36.2	42%	0.422	21%	0.206	S	C	.	.	H	α-helix	trans	-57.6	-33.2	176.6	-25.8	36.2	0	0	0	114.1	V79 A83 A84 Q85 I102	V79-P81 WeakPolarHBondContact O-CD 3.25Å; P81-A83 VanDerWaalsContact C-N 3.35Å; P81-A84 PolarHBondContact O-N 3.2Å; P81-Q85 WeakPolarHBondContact O-CG 3.46Å; P81-Q85 PolarHBondContact O-N 2.88Å; P81-Q85 VanDerWaalsContact O-N 3.12Å; P81-I102 HydrophobicContact CB-CD1 3.79Å; P81-I102 HydrophobicContact CG-CD1 4.26Å; P81-I102 HydrophobicContact CG-CG2 4.28Å
82	A	96.1	Very high	97.8	Very high	23 Å²	23	35.7 Å²	35.7	19%	0.19	20%	0.202	C	C	.	.	H	α-helix	trans	-68.4	-35	177.5	0	0	0	0	0	111.6	V21 N80 Q85 C86	V21-A82 HydrophobicContact CG2-CB 3.79Å; N80-A82 PolarHBondContact O-N 2.9Å; N80-A82 WeakPolarHBondContact OD1-CB 3.35Å; N80-A82 PolarHBondContact OD1-N 3.37Å; A82-Q85 PolarHBondContact O-N 2.89Å; A82-C86 VanDerWaalsContact O-CB 3.25Å; A82-C86 WeakPolarHBondContact O-CB 3.26Å; A82-C86 PolarHBondContact O-N 3.47Å
83	A	97.1	Very high	97.8	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-42.3	175.1	0	0	0	0	0	111.6	V21 G56 D78 N80 P81 Q85 C86 T87	V21-A83 HydrophobicContact CG1-CB 4.2Å; V21-A83 HydrophobicContact CG2-CB 4.4Å; G56-A83 CarbonylContact O-C 3.6Å; G56-A83 WeakPolarHBondContact O-CA 3.23Å; G56-A83 WeakPolarHBondContact O-CB 3.35Å; D78-A83 HydrophobicContact CB-CB 3.96Å; D78-A83 VanDerWaalsContact CG-CB 3.4Å; D78-A83 WeakPolarHBondContact OD2-CB 3.46Å; N80-A83 HydrophobicContact CB-CB 3.92Å; N80-A83 WeakPolarHBondContact O-CB 3.28Å; N80-A83 PolarHBondContact O-N 2.9Å; P81-A83 VanDerWaalsContact C-N 3.35Å; A83-Q85 VanDerWaalsContact C-N 3.33Å; A83-Q85 PolarHBondContact O-N 2.97Å; A83-C86 WeakPolarHBondContact O-CB 3.17Å; A83-C86 PolarHBondContact O-N 3.03Å; A83-T87 WeakPolarHBondContact O-CB 3.26Å; A83-T87 PolarHBondContact O-N 3.31Å; A83-T87 PolarHBondContact O-OG1 3.19Å
84	A	97.7	Very high	97.8	Very high	7 Å²	7	35.8 Å²	35.8	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-59.8	-42.6	173.8	0	0	0	0	0	112.2	N80 P81 T87 A88 P100 I102	N80-A84 PolarHBondContact O-N 3.34Å; P81-A84 PolarHBondContact O-N 3.2Å; A84-T87 PolarHBondContact O-N 2.76Å; A84-A88 PolarHBondContact O-N 3.05Å; A84-A88 VanDerWaalsContact O-N 3.11Å; A84-P100 HydrophobicContact CB-CB 4.04Å; A84-P100 WeakPolarHBondContact O-CB 3.29Å; A84-P100 WeakPolarHBondContact O-CG 3.49Å; A84-I102 HydrophobicContact CB-CD1 4.32Å; A84-I102 HydrophobicContact CB-CG1 3.61Å
85	Q	98.2	Very high	97.8	Very high	118 Å²	118	46.6 Å²	46.6	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-67.7	-39.9	174.7	-68.2	173.9	28.3	0	0	112.3	F18 P81 A82 A83 T87 A88 R89	F18-Q85 HydrophobicContact CE1-CB 3.91Å; P81-Q85 WeakPolarHBondContact O-CG 3.46Å; P81-Q85 PolarHBondContact O-N 2.88Å; P81-Q85 VanDerWaalsContact O-N 3.12Å; A82-Q85 PolarHBondContact O-N 2.89Å; A83-Q85 VanDerWaalsContact C-N 3.33Å; A83-Q85 PolarHBondContact O-N 2.97Å; Q85-T87 VanDerWaalsContact C-N 3.33Å; Q85-T87 PolarHBondContact O-N 3.22Å; Q85-A88 PolarHBondContact O-N 2.84Å; Q85-R89 PolarHBondContact O-N 2.82Å
86	C	98.5	Very high	97.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-43.1	175.4	-172.6	0	0	0	0	111	H12 F18 V21 A82 A83 A88 R89 T90	H12-C86 PolarHBondContact CD2-SG 3.23Å; H12-C86 PolarHBondContact NE2-O 2.95Å; F18-C86 HydrophobicContact CB-CB 4.42Å; F18-C86 HydrophobicContact CD1-CB 3.55Å; F18-C86 HydrophobicContact CE1-CB 3.85Å; F18-C86 HydrophobicContact CG-CB 3.91Å; F18-C86 HydrophobicContact CZ-CB 4.43Å; V21-C86 HydrophobicContact CG1-CB 4Å; V21-C86 HydrophobicContact CG2-CB 4.17Å; A82-C86 VanDerWaalsContact O-CB 3.25Å; A82-C86 WeakPolarHBondContact O-CB 3.26Å; A82-C86 PolarHBondContact O-N 3.47Å; A83-C86 WeakPolarHBondContact O-CB 3.17Å; A83-C86 PolarHBondContact O-N 3.03Å; C86-A88 PolarHBondContact O-N 2.82Å; C86-R89 WeakPolarHBondContact O-CB 3.49Å; C86-R89 PolarHBondContact O-N 3.23Å; C86-R89 VanDerWaalsContact O-N 3.13Å; C86-T90 PolarHBondContact O-N 2.82Å; C86-T90 PolarHBondContact O-OG1 2.56Å; C86-T90 VanDerWaalsContact O-OG1 3.04Å
87	T	98.8	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.4	-44.6	175	-64	0	0	0	0	111.2	S55 G56 G58 C76 A83 A84 Q85 R89 T90 A91 L98 P100	S55-T87 PolarHBondContact OG-OG1 3.38Å; G56-T87 PolarHBondContact O-OG1 2.9Å; G58-T87 WeakPolarHBondContact CA-OG1 3.13Å; G58-T87 PolarHBondContact N-OG1 2.9Å; C76-T87 HydrophobicContact CB-CG2 3.97Å; A83-T87 WeakPolarHBondContact O-CB 3.26Å; A83-T87 PolarHBondContact O-N 3.31Å; A83-T87 PolarHBondContact O-OG1 3.19Å; A84-T87 PolarHBondContact O-N 2.76Å; Q85-T87 VanDerWaalsContact C-N 3.33Å; Q85-T87 PolarHBondContact O-N 3.22Å; T87-R89 VanDerWaalsContact C-N 3.32Å; T87-R89 PolarHBondContact O-N 2.87Å; T87-T90 PolarHBondContact O-N 2.83Å; T87-A91 WeakPolarHBondContact O-CB 3.39Å; T87-A91 PolarHBondContact O-N 3.19Å; T87-L98 HydrophobicContact CG2-CB 4.34Å; T87-L98 HydrophobicContact CG2-CD1 3.89Å; T87-P100 HydrophobicContact CG2-CB 4.16Å
88	A	98.6	Very high	97.7	Very high	47 Å²	47	51 Å²	51	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-39	174.4	0	0	0	0	0	112.4	A84 Q85 C86 A91 C92 P100	A84-A88 PolarHBondContact O-N 3.05Å; A84-A88 VanDerWaalsContact O-N 3.11Å; Q85-A88 PolarHBondContact O-N 2.84Å; C86-A88 PolarHBondContact O-N 2.82Å; A88-A91 WeakPolarHBondContact O-CB 3.45Å; A88-A91 PolarHBondContact O-N 3.43Å; A88-C92 PolarHBondContact O-N 2.81Å; A88-C92 VanDerWaalsContact O-N 3.09Å; A88-P100 HydrophobicContact CB-CG 4.14Å
89	R	98.5	Very high	97.7	Very high	131 Å²	131	54.8 Å²	54.8	49%	0.494	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-44.1	175	-179.6	60.3	177.3	-173.8	-0.4	111.7	F18 Q85 C86 T87 A91 C92 C93	F18-R89 HydrophobicContact CE2-CB 4.29Å; F18-R89 HydrophobicContact CE2-CG 4.26Å; F18-R89 HydrophobicContact CZ-CB 4.19Å; Q85-R89 PolarHBondContact O-N 2.82Å; C86-R89 WeakPolarHBondContact O-CB 3.49Å; C86-R89 PolarHBondContact O-N 3.23Å; C86-R89 VanDerWaalsContact O-N 3.13Å; T87-R89 VanDerWaalsContact C-N 3.32Å; T87-R89 PolarHBondContact O-N 2.87Å; R89-A91 VanDerWaalsContact C-N 3.32Å; R89-A91 PolarHBondContact O-N 3.43Å; R89-C92 WeakPolarHBondContact O-CB 3.3Å; R89-C92 PolarHBondContact O-N 3.48Å; R89-C93 PolarHBondContact O-N 3.13Å; R89-C93 PolarHBondContact O-SG 3.25Å
90	T	98.8	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.3	-44	174.9	-60.6	0	0	0	0	110.9	H12 S57 A62 C86 T87 C92 C93 N94	H12-T90 PolarHBondContact CE1-OG1 2.9Å; H12-T90 PolarHBondContact NE2-N 2.89Å; H12-T90 PolarHBondContact NE2-OG1 3.39Å; S57-T90 WeakPolarHBondContact O-CB 3.46Å; S57-T90 PolarHBondContact O-OG1 2.98Å; A62-T90 HydrophobicContact CB-CG2 3.94Å; C86-T90 PolarHBondContact O-N 2.82Å; C86-T90 PolarHBondContact O-OG1 2.56Å; C86-T90 VanDerWaalsContact O-OG1 3.04Å; T87-T90 PolarHBondContact O-N 2.83Å; T90-C92 VanDerWaalsContact C-N 3.34Å; T90-C92 PolarHBondContact O-N 2.6Å; T90-C93 PolarHBondContact O-N 2.98Å; T90-N94 WeakPolarHBondContact O-CB 3.45Å; T90-N94 PolarHBondContact O-N 2.88Å; T90-N94 PolarHBondContact O-ND2 3.29Å
91	A	98.6	Very high	98.1	Very high	6 Å²	6	53.1 Å²	53.1	5%	0.05	29%	0.289	C	S	.	.	H	α-helix	trans	-57	-47.5	175.4	0	0	0	0	0	111.9	T87 A88 R89 N94 R95 V96 L98	T87-A91 WeakPolarHBondContact O-CB 3.39Å; T87-A91 PolarHBondContact O-N 3.19Å; A88-A91 WeakPolarHBondContact O-CB 3.45Å; A88-A91 PolarHBondContact O-N 3.43Å; R89-A91 VanDerWaalsContact C-N 3.32Å; R89-A91 PolarHBondContact O-N 3.43Å; A91-N94 CarbonylContact O-C 3.56Å; A91-N94 PolarHBondContact O-N 2.85Å; A91-R95 PolarHBondContact O-N 3.07Å; A91-V96 CarbonylContact C-O 3.52Å; A91-V96 HydrophobicContact CB-CG2 4.31Å; A91-V96 WeakPolarHBondContact CB-O 3.26Å; A91-V96 PolarHBondContact O-N 3.18Å; A91-V96 VanDerWaalsContact O-N 3.08Å; A91-L98 HydrophobicContact CB-CB 3.82Å; A91-L98 HydrophobicContact CB-CD1 3.96Å; A91-L98 HydrophobicContact CB-CG 3.73Å
92	C	98.3	Very high	98.2	Very high	86 Å²	86	54.7 Å²	54.7	58%	0.581	29%	0.292	S	S	*	.	H	α-helix	trans	-60.9	-47.9	177.6	-179.5	0	0	0	0	112.6	A88 R89 T90 N94 R95	A88-C92 PolarHBondContact O-N 2.81Å; A88-C92 VanDerWaalsContact O-N 3.09Å; R89-C92 WeakPolarHBondContact O-CB 3.3Å; R89-C92 PolarHBondContact O-N 3.48Å; T90-C92 VanDerWaalsContact C-N 3.34Å; T90-C92 PolarHBondContact O-N 2.6Å; C92-N94 PolarHBondContact O-N 2.69Å; C92-R95 PolarHBondContact O-N 2.84Å
93	C	98.3	Very high	98.3	Very high	48 Å²	48	54.4 Å²	54.4	32%	0.324	29%	0.288	S	S	.	.	H	α-helix	trans	-62.7	-31.4	179.8	-72.7	0	0	0	0	113	V9 R89 T90	V9-C93 HydrophobicContact CB-CB 4.34Å; V9-C93 HydrophobicContact CG1-CB 4.28Å; R89-C93 PolarHBondContact O-N 3.13Å; R89-C93 PolarHBondContact O-SG 3.25Å; T90-C93 PolarHBondContact O-N 2.98Å
94	N	98.4	Very high	98.2	Very high	43 Å²	43	57 Å²	57	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-99.3	1.6	-178	-66.1	-76	0	0	0	113.8	P8 V9 T90 A91 C92 V96	P8-N94 WeakPolarHBondContact CA-OD1 3.43Å; P8-N94 WeakPolarHBondContact CB-OD1 3.44Å; V9-N94 PolarHBondContact N-ND2 2.98Å; V9-N94 PolarHBondContact N-OD1 3.39Å; V9-N94 PolarHBondContact O-ND2 3.16Å; T90-N94 WeakPolarHBondContact O-CB 3.45Å; T90-N94 PolarHBondContact O-N 2.88Å; T90-N94 PolarHBondContact O-ND2 3.29Å; A91-N94 CarbonylContact O-C 3.56Å; A91-N94 PolarHBondContact O-N 2.85Å; C92-N94 PolarHBondContact O-N 2.69Å; N94-V96 VanDerWaalsContact C-N 3.25Å; N94-V96 HydrophobicContact CB-CG2 4.17Å; N94-V96 PolarHBondContact O-N 2.82Å
95	R	97.9	Very high	98.2	Very high	236 Å²	236	57.4 Å²	57.4	89%	0.891	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	38.7	-179.7	-53.6	177.9	-178.7	166.2	0.2	113.1	A91 C92	A91-R95 PolarHBondContact O-N 3.07Å; C92-R95 PolarHBondContact O-N 2.84Å
96	V	98	Very high	98.2	Very high	37 Å²	37	51.8 Å²	51.8	22%	0.224	28%	0.277	C	S	.	.			trans	-115.3	157.4	174.6	-64.1	0	0	0	0	110	A62 A65 A91 N94 L98	A62-V96 HydrophobicContact CB-CG2 4.03Å; A65-V96 HydrophobicContact CB-CB 4.03Å; A65-V96 HydrophobicContact CB-CG1 4.01Å; A91-V96 CarbonylContact C-O 3.52Å; A91-V96 HydrophobicContact CB-CG2 4.31Å; A91-V96 WeakPolarHBondContact CB-O 3.26Å; A91-V96 PolarHBondContact O-N 3.18Å; A91-V96 VanDerWaalsContact O-N 3.08Å; N94-V96 VanDerWaalsContact C-N 3.25Å; N94-V96 HydrophobicContact CB-CG2 4.17Å; N94-V96 PolarHBondContact O-N 2.82Å; V96-L98 HydrophobicContact CG2-CD2 4.42Å; V96-L98 HydrophobicContact CG2-CG 4.16Å
97	A	98.1	Very high	98.2	Very high	69 Å²	69	57.5 Å²	57.5	57%	0.57	30%	0.304	S	S	*	.			trans	-100.8	103	179.1	0	0	0	0	0	110.4	Y74	Y74-A97 WeakPolarHBondContact CD2-O 3.39Å
98	L	98.7	Very high	98.1	Very high	9 Å²	9	60.7 Å²	60.7	5%	0.047	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	142.8	172.1	-52.9	-176.8	0	0	0	110	A62 A65 Y74 T87 A91 V96 P100	A62-L98 HydrophobicContact CB-CD1 4.29Å; A65-L98 HydrophobicContact CB-CD2 4.37Å; Y74-L98 HydrophobicContact CG-CD2 4.05Å; T87-L98 HydrophobicContact CG2-CB 4.34Å; T87-L98 HydrophobicContact CG2-CD1 3.89Å; A91-L98 HydrophobicContact CB-CB 3.82Å; A91-L98 HydrophobicContact CB-CD1 3.96Å; A91-L98 HydrophobicContact CB-CG 3.73Å; V96-L98 HydrophobicContact CG2-CD2 4.42Å; V96-L98 HydrophobicContact CG2-CG 4.16Å; L98-P100 WeakPolarHBondContact O-CD 3.29Å
99	Q	98.6	Very high	98	Very high	102 Å²	102	59.2 Å²	59.2	48%	0.477	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	87.1	179.3	-56.9	-59.4	-58.1	0	0	109.8	L73 Y74 L75 C76	L73-Q99 HydrophobicContact CD1-CG 4.17Å; Y74-Q99 PolarHBondContact O-N 2.84Å; L75-Q99 HydrophobicContact CD2-CB 3.72Å; L75-Q99 HydrophobicContact CD2-CG 4.35Å; C76-Q99 PolarHBondContact N-O 3.2Å
100	P	98.6	Very high	97.9	Very high	43 Å²	43	55.1 Å²	55.1	28%	0.279	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	141	179.1	29.9	-33.3	0	0	0	111.8	C76 A84 T87 A88 L98	C76-P100 HydrophobicContact CB-CB 4.45Å; C76-P100 CarbonylContact O-C 3.53Å; C76-P100 VanDerWaalsContact O-CA 3.28Å; C76-P100 WeakPolarHBondContact O-CA 3.27Å; A84-P100 HydrophobicContact CB-CB 4.04Å; A84-P100 WeakPolarHBondContact O-CB 3.29Å; A84-P100 WeakPolarHBondContact O-CG 3.49Å; T87-P100 HydrophobicContact CG2-CB 4.16Å; A88-P100 HydrophobicContact CB-CG 4.14Å; L98-P100 WeakPolarHBondContact O-CD 3.29Å
101	V	98.5	Very high	97.9	Very high	44 Å²	44	60 Å²	60	27%	0.267	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125	178.7	-177.8	0	0	0	0	109	C76 T77 D78 T103 S108	C76-V101 PolarHBondContact O-N 3.05Å; T77-V101 WeakPolarHBondContact CA-O 3.27Å; T77-V101 HydrophobicContact CG2-CB 4.4Å; D78-V101 PolarHBondContact N-O 2.85Å; V101-T103 HydrophobicContact CG1-CG2 4.3Å; V101-T103 PolarHBondContact O-N 2.83Å; V101-S108 VanDerWaalsContact CG1-OG 3.3Å; V101-S108 WeakPolarHBondContact CG1-OG 3.4Å
102	I	98	Very high	97.8	Very high	97 Å²	97	68.7 Å²	68.7	50%	0.497	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.6	175.9	-56.7	166.5	0	0	0	108.2	D78 P81 A84	D78-I102 VanDerWaalsContact O-CA 3.27Å; D78-I102 WeakPolarHBondContact O-CA 3.43Å; P81-I102 HydrophobicContact CB-CD1 3.79Å; P81-I102 HydrophobicContact CG-CD1 4.26Å; P81-I102 HydrophobicContact CG-CG2 4.28Å; A84-I102 HydrophobicContact CB-CD1 4.32Å; A84-I102 HydrophobicContact CB-CG1 3.61Å
103	T	97.4	Very high	97.8	Very high	18 Å²	18	65.7 Å²	65.7	11%	0.11	34%	0.34	C	S	.	.	S	Bend	trans	-162.3	158.5	-178.5	-174.9	0	0	0	0	110.9	T77 D78 V79 V101 L105 S108	T77-T103 HydrophobicContact CG2-CG2 3.5Å; D78-T103 CarbonylContact C-O 3.53Å; D78-T103 PolarHBondContact O-N 3.21Å; V79-T103 PolarHBondContact N-O 3.02Å; V101-T103 HydrophobicContact CG1-CG2 4.3Å; V101-T103 PolarHBondContact O-N 2.83Å; T103-L105 WeakPolarHBondContact CG2-O 3.34Å; T103-S108 WeakPolarHBondContact CB-OG 3.4Å; T103-S108 WeakPolarHBondContact CG2-OG 3.48Å; T103-S108 PolarHBondContact OG1-N 2.79Å; T103-S108 PolarHBondContact OG1-OG 3.27Å
104	D	96.7	Very high	97.8	Very high	55 Å²	55	65.7 Å²	65.7	29%	0.294	34%	0.34	S	S	.	.	S	Bend	trans	-77.4	122.7	165	178	23.4	0	0	0	109.6	V106 Q107 R155	D104-V106 PolarHBondContact O-N 3.13Å; D104-Q107 WeakPolarHBondContact O-CG 3.24Å; D104-Q107 PolarHBondContact O-N 3.2Å; D104-Q107 VanDerWaalsContact O-N 3.11Å; D104-Q107 PolarHBondContact OD2-NE2 3.43Å; D104-R155 IonicContact OD1-CZ 2.84Å; D104-R155 IonicContact OD1-NH2 2.94Å; D104-R155 PolarHBondContact OD1-NH2 3.11Å; D104-R155 IonicContact OD2-NH2 2.77Å; D104-R155 PolarHBondContact OD2-NH2 3.48Å
105	L	97.6	Very high	97.8	Very high	17 Å²	17	65.6 Å²	65.6	9%	0.089	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	-103.7	-173.8	-61.2	173.8	0	0	0	111.8	V53 T77 T103 F122 V152 R155 F156 L159	V53-L105 HydrophobicContact CG1-CD2 3.99Å; T77-L105 VanDerWaalsContact CB-O 3.23Å; T77-L105 WeakPolarHBondContact CB-O 3.23Å; T77-L105 PolarHBondContact OG1-O 2.49Å; T103-L105 WeakPolarHBondContact CG2-O 3.34Å; L105-F122 HydrophobicContact CD2-CE1 4.33Å; L105-F122 HydrophobicContact CD2-CZ 3.97Å; L105-V152 HydrophobicContact CD2-CG1 4.18Å; L105-R155 HydrophobicContact CD1-CB 4.12Å; L105-F156 HydrophobicContact CB-CD2 4.28Å; L105-F156 HydrophobicContact CD1-CB 4.13Å; L105-F156 HydrophobicContact CD1-CD2 4.34Å; L105-F156 HydrophobicContact CD2-CB 4.1Å; L105-F156 HydrophobicContact CD2-CD2 4.15Å; L105-F156 HydrophobicContact CD2-CG 4.35Å; L105-F156 HydrophobicContact CG-CD2 4.5Å; L105-L159 HydrophobicContact CD1-CD1 4.39Å
106	V	98.3	Very high	97.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131	17	-174.9	-66.7	0	0	0	0	112.4	V53 D104 S108 L109 L110 F156 L159 L163	V53-V106 HydrophobicContact CG2-CG1 3.61Å; D104-V106 PolarHBondContact O-N 3.13Å; V106-S108 VanDerWaalsContact C-N 3.29Å; V106-S108 PolarHBondContact O-N 2.95Å; V106-L109 HydrophobicContact CG1-CD1 4.46Å; V106-L109 WeakPolarHBondContact O-CB 3.44Å; V106-L109 PolarHBondContact O-N 3.14Å; V106-L110 HydrophobicContact CG2-CD1 3.95Å; V106-L110 HydrophobicContact CG2-CG 4.29Å; V106-L110 PolarHBondContact O-N 3.35Å; V106-F156 HydrophobicContact CG1-CE2 3.82Å; V106-F156 HydrophobicContact CG2-CE2 4.11Å; V106-L159 HydrophobicContact CG2-CB 4.28Å; V106-L159 HydrophobicContact CG2-CD1 3.69Å; V106-L163 HydrophobicContact CB-CD1 4.27Å; V106-L163 HydrophobicContact CG1-CD1 4Å; V106-L163 HydrophobicContact CG2-CD1 4Å
107	Q	97.1	Very high	97.9	Very high	120 Å²	120	57.3 Å²	57.3	56%	0.561	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-55.5	-42.2	-171.2	-72	178.2	11.8	0	0	112.8	D104 L109 L110	D104-Q107 WeakPolarHBondContact O-CG 3.24Å; D104-Q107 PolarHBondContact O-N 3.2Å; D104-Q107 VanDerWaalsContact O-N 3.11Å; D104-Q107 PolarHBondContact OD2-NE2 3.43Å; Q107-L109 PolarHBondContact O-N 3.48Å; Q107-L110 PolarHBondContact O-N 2.98Å
108	S	96.8	Very high	97.9	Very high	66 Å²	66	54.6 Å²	54.6	46%	0.462	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-70.9	-14.2	178.6	64	0	0	0	0	114.6	V101 T103 V106	V101-S108 VanDerWaalsContact CG1-OG 3.3Å; V101-S108 WeakPolarHBondContact CG1-OG 3.4Å; T103-S108 WeakPolarHBondContact CB-OG 3.4Å; T103-S108 WeakPolarHBondContact CG2-OG 3.48Å; T103-S108 PolarHBondContact OG1-N 2.79Å; T103-S108 PolarHBondContact OG1-OG 3.27Å; V106-S108 VanDerWaalsContact C-N 3.29Å; V106-S108 PolarHBondContact O-N 2.95Å
109	L	97.8	Very high	97.9	Very high	17 Å²	17	54.2 Å²	54.2	9%	0.089	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-95.8	-16.7	-178	-54.7	-175.2	0	0	0	112.6	V51 L75 T77 V106 Q107 R112 L113	V51-L109 HydrophobicContact CG1-CD1 4.14Å; L75-L109 HydrophobicContact CD1-CD1 4.48Å; L75-L109 HydrophobicContact CD1-CD2 4.31Å; T77-L109 HydrophobicContact CG2-CD1 3.69Å; T77-L109 HydrophobicContact CG2-CG 4.25Å; V106-L109 HydrophobicContact CG1-CD1 4.46Å; V106-L109 WeakPolarHBondContact O-CB 3.44Å; V106-L109 PolarHBondContact O-N 3.14Å; Q107-L109 PolarHBondContact O-N 3.48Å; L109-R112 PolarHBondContact O-N 3.42Å; L109-R112 VanDerWaalsContact O-N 3.1Å; L109-L113 HydrophobicContact CB-CD1 3.8Å; L109-L113 HydrophobicContact CB-CG 4.17Å; L109-L113 HydrophobicContact CD1-CD1 3.84Å; L109-L113 HydrophobicContact CD2-CD1 4.41Å; L109-L113 HydrophobicContact CG-CD1 4.23Å; L109-L113 PolarHBondContact O-N 2.94Å
110	L	96	Very high	98	Very high	45 Å²	45	49.3 Å²	49.3	24%	0.236	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	147.4	180	-67.5	176.2	0	0	0	111.6	V106 Q107 R112 L159 L163	V106-L110 HydrophobicContact CG2-CD1 3.95Å; V106-L110 HydrophobicContact CG2-CG 4.29Å; V106-L110 PolarHBondContact O-N 3.35Å; Q107-L110 PolarHBondContact O-N 2.98Å; L110-R112 VanDerWaalsContact C-N 3.28Å; L110-L159 HydrophobicContact CD1-CD2 4.18Å; L110-L163 HydrophobicContact CD2-CD2 3.6Å; L110-L163 HydrophobicContact CD2-CG 4.23Å; L110-L163 HydrophobicContact CG-CD2 4.47Å
111	P	97.6	Very high	98	Very high	103 Å²	103	47.3 Å²	47.3	67%	0.669	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84.4	7.1	-5.3	35.6	-36.4	0	0	0	113.1	L113 C114	P111-L113 VanDerWaalsContact C-N 3.26Å; P111-L113 PolarHBondContact O-N 3.21Å; P111-C114 WeakPolarHBondContact O-CB 3.4Å; P111-C114 PolarHBondContact O-N 3.19Å; P111-C114 VanDerWaalsContact O-N 3.08Å; P111-C114 PolarHBondContact O-SG 2.85Å; P111-C114 VanDerWaalsContact O-SG 3.39Å
112	R	98.3	Very high	98	Very high	188 Å²	188	45.4 Å²	45.4	71%	0.709	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-32	-168.9	-68.3	-68.7	-65.5	166.7	-2.8	113.6	L109 L110 K116	L109-R112 PolarHBondContact O-N 3.42Å; L109-R112 VanDerWaalsContact O-N 3.1Å; L110-R112 VanDerWaalsContact C-N 3.28Å; R112-K116 WeakPolarHBondContact O-CD 3.35Å; R112-K116 WeakPolarHBondContact O-CE 3.35Å; R112-K116 PolarHBondContact O-NZ 3.26Å
113	L	98.2	Very high	98	Very high	22 Å²	22	41.8 Å²	41.8	12%	0.115	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	5.7	178	-63.3	-170.3	0	0	0	115.2	V49 V51 L75 L109 P111 G115 K116 V117 L163	V49-L113 HydrophobicContact CG1-CD2 4.49Å; V51-L113 HydrophobicContact CG2-CD1 4.05Å; L75-L113 HydrophobicContact CD1-CD1 3.49Å; L75-L113 VanDerWaalsContact CD1-CD1 3.49Å; L75-L113 HydrophobicContact CD1-CD2 4.46Å; L109-L113 HydrophobicContact CB-CD1 3.8Å; L109-L113 HydrophobicContact CB-CG 4.17Å; L109-L113 HydrophobicContact CD1-CD1 3.84Å; L109-L113 HydrophobicContact CD2-CD1 4.41Å; L109-L113 HydrophobicContact CG-CD1 4.23Å; L109-L113 PolarHBondContact O-N 2.94Å; P111-L113 VanDerWaalsContact C-N 3.26Å; P111-L113 PolarHBondContact O-N 3.21Å; L113-G115 PolarHBondContact O-N 3.33Å; L113-K116 PolarHBondContact O-N 3.36Å; L113-K116 VanDerWaalsContact O-N 3.09Å; L113-V117 HydrophobicContact CB-CG2 4.18Å; L113-V117 HydrophobicContact CD1-CG2 4.36Å; L113-L163 HydrophobicContact CB-CD2 3.96Å
114	C	98.3	Very high	98	Very high	49 Å²	49	41 Å²	41	33%	0.331	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	126.6	176.1	-68.7	0	0	0	0	111	P111 K116 Q162	P111-C114 WeakPolarHBondContact O-CB 3.4Å; P111-C114 PolarHBondContact O-N 3.19Å; P111-C114 VanDerWaalsContact O-N 3.08Å; P111-C114 PolarHBondContact O-SG 2.85Å; P111-C114 VanDerWaalsContact O-SG 3.39Å; C114-K116 VanDerWaalsContact C-N 3.28Å; C114-K116 PolarHBondContact O-N 3.17Å; C114-Q162 CarbonylContact C-O 3.5Å; C114-Q162 WeakPolarHBondContact CA-O 3.36Å
115	G	98.2	Very high	98	Very high	40 Å²	40	39 Å²	39	41%	0.412	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	15.5	179.7	0	0	0	0	0	115.4	L113 Q162 L163 L164 S165	L113-G115 PolarHBondContact O-N 3.33Å; G115-Q162 PolarHBondContact N-O 3.42Å; G115-L163 CarbonylContact C-O 3.41Å; G115-L163 PolarHBondContact N-O 2.88Å; G115-L164 WeakPolarHBondContact CA-O 3.48Å; G115-S165 VanDerWaalsContact O-CA 3.32Å; G115-S165 WeakPolarHBondContact O-CA 3.46Å; G115-S165 WeakPolarHBondContact O-CB 3.26Å
116	K	98.6	Very high	97.8	Very high	100 Å²	100	39.2 Å²	39.2	44%	0.435	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-14.2	-172.9	-64.9	-178.6	-171.1	164.1	0	115	V49 R112 L113 C114 D118 L163	V49-K116 WeakPolarHBondContact CB-O 3.29Å; R112-K116 WeakPolarHBondContact O-CD 3.35Å; R112-K116 WeakPolarHBondContact O-CE 3.35Å; R112-K116 PolarHBondContact O-NZ 3.26Å; L113-K116 PolarHBondContact O-N 3.36Å; L113-K116 VanDerWaalsContact O-N 3.09Å; C114-K116 VanDerWaalsContact C-N 3.28Å; C114-K116 PolarHBondContact O-N 3.17Å; K116-D118 PolarHBondContact O-N 2.64Å; K116-L163 PolarHBondContact N-O 3.11Å; K116-L163 VanDerWaalsContact N-O 3.08Å
117	V	98.8	Very high	97.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	114.1	-174.7	-176.8	0	0	0	0	110	V51 L113 V119 L120 L163 L164 S165	V51-V117 HydrophobicContact CB-CG1 3.99Å; V51-V117 HydrophobicContact CG2-CB 4.4Å; V51-V117 HydrophobicContact CG2-CG1 3.77Å; V51-V117 HydrophobicContact CG2-CG2 3.72Å; L113-V117 HydrophobicContact CB-CG2 4.18Å; L113-V117 HydrophobicContact CD1-CG2 4.36Å; V117-V119 VanDerWaalsContact CG1-O 3.29Å; V117-V119 WeakPolarHBondContact CG1-O 3.17Å; V117-L120 HydrophobicContact CG1-CB 3.86Å; V117-L120 HydrophobicContact CG1-CD1 4.25Å; V117-L163 HydrophobicContact CB-CB 4.37Å; V117-L163 HydrophobicContact CG2-CB 4.01Å; V117-L163 HydrophobicContact CG2-CD2 4.12Å; V117-L163 PolarHBondContact N-O 3.04Å; V117-L164 CarbonylContact O-C 3.56Å; V117-L164 WeakPolarHBondContact O-CA 3.43Å; V117-S165 PolarHBondContact O-N 2.78Å
118	D	98.8	Very high	97.4	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-32.4	-179.1	-64.5	-47.8	0	0	0	112.4	P47 C48 V49 K116 S165 G168 L169	P47-D118 HydrophobicContact CB-CB 3.49Å; P47-D118 VanDerWaalsContact CB-CB 3.49Å; C48-D118 PolarHBondContact N-OD2 3.46Å; V49-D118 PolarHBondContact N-OD2 3.32Å; V49-D118 PolarHBondContact O-N 2.93Å; K116-D118 PolarHBondContact O-N 2.64Å; D118-S165 VanDerWaalsContact OD1-CB 3.26Å; D118-S165 WeakPolarHBondContact OD1-CB 3.46Å; D118-S165 PolarHBondContact OD1-OG 3.33Å; D118-G168 CarbonylContact O-C 3.6Å; D118-G168 VanDerWaalsContact O-CA 3.24Å; D118-G168 WeakPolarHBondContact O-CA 3.42Å; D118-L169 PolarHBondContact O-N 3.08Å
119	V	98.9	Very high	97.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.6	171.3	-175.9	0	0	0	0	108.5	L42 P47 V49 C50 V51 L64 V117 L121 L169 Y171	L42-V119 HydrophobicContact CD2-CG2 3.8Å; P47-V119 HydrophobicContact CB-CG2 3.92Å; P47-V119 HydrophobicContact CG-CG2 4.07Å; V49-V119 PolarHBondContact O-N 3.23Å; C50-V119 CarbonylContact C-O 3.57Å; C50-V119 VanDerWaalsContact CA-O 3.29Å; C50-V119 WeakPolarHBondContact CA-O 3.32Å; C50-V119 HydrophobicContact CB-CB 4.36Å; V51-V119 PolarHBondContact N-O 2.77Å; L64-V119 HydrophobicContact CD1-CG1 4.29Å; L64-V119 HydrophobicContact CD2-CB 4.31Å; L64-V119 HydrophobicContact CD2-CG1 3.81Å; V117-V119 VanDerWaalsContact CG1-O 3.29Å; V117-V119 WeakPolarHBondContact CG1-O 3.17Å; V119-L121 HydrophobicContact CG1-CD2 3.84Å; V119-L121 HydrophobicContact CG1-CG 4.3Å; V119-L169 CarbonylContact C-O 3.51Å; V119-L169 WeakPolarHBondContact CA-O 3.43Å; V119-Y171 HydrophobicContact CG1-CD2 4.43Å; V119-Y171 HydrophobicContact CG1-CE2 4.39Å
120	L	98.9	Very high	96.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.4	175.6	-175.6	61.7	0	0	0	108.7	V51 V53 V117 F156 V160 L163 L164 L169 F170 Y171	V51-L120 HydrophobicContact CB-CD1 3.78Å; V51-L120 HydrophobicContact CG1-CD1 3.92Å; V51-L120 CarbonylContact O-C 3Å; V51-L120 WeakPolarHBondContact O-CA 3.21Å; V53-L120 HydrophobicContact CG2-CD1 4.19Å; V117-L120 HydrophobicContact CG1-CB 3.86Å; V117-L120 HydrophobicContact CG1-CD1 4.25Å; L120-F156 HydrophobicContact CD1-CZ 4.12Å; L120-F156 HydrophobicContact CD2-CE1 4.14Å; L120-F156 HydrophobicContact CD2-CZ 3.81Å; L120-F156 HydrophobicContact CG-CZ 4.23Å; L120-V160 HydrophobicContact CD2-CB 4.34Å; L120-V160 HydrophobicContact CD2-CG1 4.01Å; L120-V160 HydrophobicContact CD2-CG2 4.07Å; L120-L163 HydrophobicContact CD1-CD1 4.45Å; L120-L163 HydrophobicContact CD2-CD1 4.2Å; L120-L164 HydrophobicContact CB-CD2 3.88Å; L120-L164 HydrophobicContact CD2-CD2 4.37Å; L120-L169 PolarHBondContact N-O 3.1Å; L120-F170 HydrophobicContact CB-CB 4.21Å; L120-F170 HydrophobicContact CB-CD2 3.95Å; L120-F170 HydrophobicContact CD2-CB 4.46Å; L120-F170 HydrophobicContact CD2-CD2 3.86Å; L120-F170 HydrophobicContact CD2-CE2 4.37Å; L120-F170 HydrophobicContact CD2-CG 4.27Å; L120-F170 HydrophobicContact CG-CD2 3.71Å; L120-F170 HydrophobicContact CG-CE2 4.25Å; L120-F170 HydrophobicContact CG-CG 4.5Å; L120-F170 CarbonylContact O-C 3.4Å; L120-F170 VanDerWaalsContact O-CA 3.28Å; L120-F170 WeakPolarHBondContact O-CA 3.47Å; L120-F170 WeakPolarHBondContact O-CD2 3.33Å; L120-Y171 PolarHBondContact O-N 3.33Å
121	L	98.9	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139	178.5	-52.4	-177.6	0	0	0	109.3	L35 V51 E52 V53 V60 L64 V119 Y171	L35-L121 HydrophobicContact CD1-CD1 4.01Å; L35-L121 HydrophobicContact CD1-CD2 4.29Å; L35-L121 HydrophobicContact CD2-CD2 3.84Å; V51-L121 PolarHBondContact O-N 2.91Å; E52-L121 HydrophobicContact CB-CB 4.25Å; E52-L121 HydrophobicContact CG-CB 4.2Å; V53-L121 PolarHBondContact N-O 2.86Å; V60-L121 HydrophobicContact CG1-CD1 3.74Å; L64-L121 HydrophobicContact CB-CD1 4.38Å; L64-L121 HydrophobicContact CD2-CD1 3.87Å; L64-L121 HydrophobicContact CD2-CG 4.38Å; V119-L121 HydrophobicContact CG1-CD2 3.84Å; V119-L121 HydrophobicContact CG1-CG 4.3Å; L121-Y171 HydrophobicContact CD2-CD2 3.72Å; L121-Y171 HydrophobicContact CD2-CG 4.04Å
122	F	98.8	Very high	96.1	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	116.6	167	-165.9	-165.3	0	0	0	110.5	V53 L105 P124 V152 F156 F170 Y171 L172 V173	V53-F122 HydrophobicContact CB-CB 4.48Å; V53-F122 HydrophobicContact CB-CD2 3.81Å; V53-F122 HydrophobicContact CB-CE2 4.11Å; V53-F122 HydrophobicContact CB-CG 4.14Å; V53-F122 HydrophobicContact CG1-CD2 4Å; V53-F122 HydrophobicContact CG1-CE2 3.76Å; V53-F122 HydrophobicContact CG1-CZ 4.08Å; V53-F122 WeakPolarHBondContact O-CD2 3.41Å; L105-F122 HydrophobicContact CD2-CE1 4.33Å; L105-F122 HydrophobicContact CD2-CZ 3.97Å; F122-P124 HydrophobicContact CD1-CB 4.04Å; F122-P124 HydrophobicContact CD2-CB 4.09Å; F122-P124 HydrophobicContact CE1-CB 3.73Å; F122-P124 HydrophobicContact CE2-CB 3.79Å; F122-P124 HydrophobicContact CG-CB 4.25Å; F122-P124 HydrophobicContact CZ-CB 3.61Å; F122-P124 VanDerWaalsContact O-CD 3.29Å; F122-P124 WeakPolarHBondContact O-CD 3.42Å; F122-V152 HydrophobicContact CZ-CG1 3.98Å; F122-F156 HydrophobicContact CB-CE1 4.22Å; F122-F156 HydrophobicContact CD1-CB 4.37Å; F122-F156 AromaticContact CD1-CD1 3.34Å; F122-F156 HydrophobicContact CD1-CD1 3.34Å; F122-F156 AromaticContact CD1-CE1 3.78Å; F122-F156 HydrophobicContact CD1-CE1 3.78Å; F122-F156 HydrophobicContact CD1-CG 4.01Å; F122-F156 HydrophobicContact CE1-CB 3.87Å; F122-F156 AromaticContact CE1-CD1 3.71Å; F122-F156 HydrophobicContact CE1-CD1 3.71Å; F122-F156 HydrophobicContact CE1-CE1 4.46Å; F122-F156 AromaticContact CE1-CG 3.9Å; F122-F156 HydrophobicContact CE1-CG 3.9Å; F122-F156 HydrophobicContact CG-CD1 4.27Å; F122-F156 HydrophobicContact CG-CE1 4.29Å; F122-F170 HydrophobicContact CB-CE2 3.78Å; F122-F170 HydrophobicContact CB-CZ 4.25Å; F122-Y171 PolarHBondContact N-O 3.18Å; F122-L172 HydrophobicContact CB-CD1 4.16Å; F122-L172 HydrophobicContact CD1-CD1 4.14Å; F122-L172 HydrophobicContact CG-CD1 4.4Å; F122-L172 WeakPolarHBondContact O-CA 3.44Å; F122-V173 PolarHBondContact O-N 3.2Å; F122-V173 VanDerWaalsContact O-N 3.11Å
123	N	98.5	Very high	95.3	Very high	21 Å²	21	37.7 Å²	37.7	11%	0.112	21%	0.214	C	C	.	.			trans	-101.7	88.9	161.2	-174.6	19.2	0	0	0	107.7	D27 L31 Y126 V173	D27-N123 PolarHBondContact OD2-ND2 3.24Å; D27-N123 PolarHBondContact OD2-OD1 2.87Å; L31-N123 HydrophobicContact CD2-CB 4.23Å; N123-Y126 WeakPolarHBondContact OD1-CE1 3.32Å; N123-V173 HydrophobicContact CB-CB 4.39Å; N123-V173 HydrophobicContact CB-CG2 3.96Å; N123-V173 VanDerWaalsContact OD1-CB 3.24Å; N123-V173 WeakPolarHBondContact OD1-CB 3.28Å; N123-V173 WeakPolarHBondContact OD1-CG1 3.49Å
124	P	97.4	Very high	94.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.217	C	C	.	.			trans	-75.6	165.4	-170.5	32.7	-37.6	0	0	0	111.8	F122 Y126 T153 L172 V173	F122-P124 HydrophobicContact CD1-CB 4.04Å; F122-P124 HydrophobicContact CD2-CB 4.09Å; F122-P124 HydrophobicContact CE1-CB 3.73Å; F122-P124 HydrophobicContact CE2-CB 3.79Å; F122-P124 HydrophobicContact CG-CB 4.25Å; F122-P124 HydrophobicContact CZ-CB 3.61Å; F122-P124 VanDerWaalsContact O-CD 3.29Å; F122-P124 WeakPolarHBondContact O-CD 3.42Å; P124-Y126 WeakPolarHBondContact O-CD1 3.4Å; P124-Y126 PolarHBondContact O-N 2.92Å; P124-T153 WeakPolarHBondContact CB-OG1 3.36Å; P124-T153 WeakPolarHBondContact CG-OG1 3.48Å; P124-L172 HydrophobicContact CG-CD1 3.84Å; P124-V173 WeakPolarHBondContact CD-O 3.42Å
125	P	95.4	Very high	93.6	Very high	15 Å²	15	39 Å²	39	10%	0.097	23%	0.234	C	C	.	.			trans	-64.4	102.3	158.7	28.5	-33.6	0	0	0	109.2	A142 W143 G145 V152	P125-A142 WeakPolarHBondContact CA-O 3.48Å; P125-W143 CarbonylContact C-O 3.56Å; P125-G145 WeakPolarHBondContact O-CA 3.46Å; P125-V152 HydrophobicContact CG-CB 3.83Å; P125-V152 HydrophobicContact CG-CG1 3.95Å; P125-V152 HydrophobicContact CG-CG2 3.67Å
126	Y	94.3	Very high	92.4	Very high	20 Å²	20	38.5 Å²	38.5	8%	0.078	22%	0.224	C	C	.	.			trans	-107.5	-1.8	-170.3	53.9	-111.3	0	0	0	114.4	D27 N123 P124 W143 G149 V173 I175 N178 L207	D27-Y126 HydrophobicContact CB-CE1 4.02Å; D27-Y126 WeakPolarHBondContact CB-OH 3.22Å; D27-Y126 VanDerWaalsContact CG-OH 3.29Å; D27-Y126 PolarHBondContact OD2-OH 2.94Å; D27-Y126 VanDerWaalsContact OD2-OH 3.14Å; N123-Y126 WeakPolarHBondContact OD1-CE1 3.32Å; P124-Y126 WeakPolarHBondContact O-CD1 3.4Å; P124-Y126 PolarHBondContact O-N 2.92Å; Y126-W143 PolarHBondContact N-O 3.01Å; Y126-G149 WeakPolarHBondContact CA-O 3.31Å; Y126-G149 WeakPolarHBondContact O-CA 3.39Å; Y126-V173 HydrophobicContact CD1-CG1 4.31Å; Y126-V173 HydrophobicContact CE1-CG1 4.12Å; Y126-I175 HydrophobicContact CD2-CB 4.49Å; Y126-I175 HydrophobicContact CD2-CD1 4.02Å; Y126-I175 HydrophobicContact CD2-CG1 4.02Å; Y126-I175 HydrophobicContact CD2-CG2 3.73Å; Y126-I175 HydrophobicContact CE2-CG2 3.76Å; Y126-I175 WeakPolarHBondContact O-CD1 3.5Å; Y126-N178 WeakPolarHBondContact CB-OD1 3.03Å; Y126-N178 PolarHBondContact O-ND2 2.94Å; Y126-L207 HydrophobicContact CE2-CD2 4.38Å
127	V	93.4	Very high	91	Very high	42 Å²	42	45.1 Å²	45.1	26%	0.255	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-77.4	134.6	-176.1	-179	0	0	0	0	110	T129 W143 G145	V127-T129 HydrophobicContact CG1-CG2 4.37Å; V127-T129 PolarHBondContact O-N 3.3Å; V127-T129 PolarHBondContact O-OG1 2.96Å; V127-W143 WeakPolarHBondContact CA-O 3.13Å; V127-W143 HydrophobicContact CB-CB 4.26Å; V127-W143 VanDerWaalsContact CB-O 3.27Å; V127-W143 WeakPolarHBondContact CB-O 3.34Å; V127-W143 HydrophobicContact CG2-CB 3.84Å; V127-W143 PolarHBondContact N-O 2.86Å; V127-G145 WeakPolarHBondContact O-CA 3.44Å; V127-G145 PolarHBondContact O-N 2.85Å
128	V	94.3	Very high	89.7	Confident	77 Å²	77	46.2 Å²	46.2	47%	0.467	26%	0.258	S	S	.	.			trans	-66.8	118	176.1	-174.9	0	0	0	0	109.1	E177	V128-E177 HydrophobicContact CG2-CB 3.79Å; V128-E177 HydrophobicContact CG2-CG 4.17Å
129	T	92.3	Very high	88.5	Confident	19 Å²	19	47.6 Å²	47.6	12%	0.117	27%	0.266	C	S	.	.			trans	-139.9	161.5	-177.5	40.6	0	0	0	0	109.5	V127 A144 G145 G146	V127-T129 HydrophobicContact CG1-CG2 4.37Å; V127-T129 PolarHBondContact O-N 3.3Å; V127-T129 PolarHBondContact O-OG1 2.96Å; T129-A144 HydrophobicContact CG2-CB 4.33Å; T129-A144 WeakPolarHBondContact OG1-CA 3.49Å; T129-G145 PolarHBondContact OG1-N 2.81Å; T129-G146 PolarHBondContact N-O 2.93Å; T129-G146 CarbonylContact O-C 3.56Å; T129-G146 VanDerWaalsContact O-CA 3.22Å; T129-G146 WeakPolarHBondContact O-CA 3.44Å; T129-G146 VanDerWaalsContact O-O 3.13Å; T129-G146 WeakPolarHBondContact OG1-CA 3.48Å; T129-G146 PolarHBondContact OG1-N 3.26Å
130	P	91.4	Very high	87.6	Confident	67 Å²	67	51 Å²	51	44%	0.435	28%	0.282	S	S	.	.			trans	-52.7	146.8	163.7	-22.9	33.6	0	0	0	111.2	E132 E133	P130-E132 WeakPolarHBondContact CB-OE2 3.49Å; P130-E132 PolarHBondContact O-N 3.11Å; P130-E133 HydrophobicContact CB-CG 4.48Å; P130-E133 WeakPolarHBondContact CD-OE1 3.05Å; P130-E133 WeakPolarHBondContact CG-OE1 3.42Å; P130-E133 PolarHBondContact O-N 3.49Å
131	S	88.9	Confident	86.8	Confident	54 Å²	54	52.2 Å²	52.2	38%	0.378	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-66.9	-23.5	-174.3	-59.9	0	0	0	0	112.6	E133 V134 Q151	S131-E133 PolarHBondContact O-N 3.02Å; S131-V134 PolarHBondContact O-N 3.09Å; S131-Q151 PolarHBondContact OG-NE2 3.44Å
132	E	87.1	Confident	86.1	Confident	165 Å²	165	54 Å²	54	77%	0.771	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69.8	-19.3	179.8	-52.3	78.5	-168.9	0	0	112.5	P130	P130-E132 WeakPolarHBondContact CB-OE2 3.49Å; P130-E132 PolarHBondContact O-N 3.11Å
133	E	82.8	Confident	85.5	Confident	84 Å²	84	58.6 Å²	58.6	39%	0.393	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-83.4	-14.2	178.9	-65.1	-178.9	-156.2	0	0	112.6	P130 S131 S136 A144	P130-E133 HydrophobicContact CB-CG 4.48Å; P130-E133 WeakPolarHBondContact CD-OE1 3.05Å; P130-E133 WeakPolarHBondContact CG-OE1 3.42Å; P130-E133 PolarHBondContact O-N 3.49Å; S131-E133 PolarHBondContact O-N 3.02Å; E133-S136 WeakPolarHBondContact O-CB 3.45Å; E133-S136 PolarHBondContact O-OG 3.29Å; E133-A144 HydrophobicContact CB-CB 4.15Å; E133-A144 WeakPolarHBondContact O-CB 3.47Å
134	V	84.2	Confident	85.2	Confident	31 Å²	31	57.7 Å²	57.7	19%	0.188	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	130.6	179.2	-177.2	0	0	0	0	110.7	S131 S136 G146 V152	S131-V134 PolarHBondContact O-N 3.09Å; V134-S136 VanDerWaalsContact C-N 3.31Å; V134-G146 VanDerWaalsContact CG2-N 3.27Å; V134-V152 HydrophobicContact CG1-CG2 3.69Å
135	G	75.1	Confident	84.9	Confident	66 Å²	66	57.6 Å²	57.6	68%	0.68	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.8	13.6	178.7	0	0	0	0	0	114.3
136	S	74.6	Confident	84.9	Confident	30 Å²	30	56.9 Å²	56.9	21%	0.21	32%	0.315	C	S	.	.			trans	-50.6	157.8	159.1	45.6	0	0	0	0	111.5	E133 V134 E140 A141	E133-S136 WeakPolarHBondContact O-CB 3.45Å; E133-S136 PolarHBondContact O-OG 3.29Å; V134-S136 VanDerWaalsContact C-N 3.31Å; S136-E140 WeakPolarHBondContact CB-OE1 3.48Å; S136-E140 WeakPolarHBondContact OG-CG 3.4Å; S136-A141 VanDerWaalsContact O-CB 3.26Å; S136-A141 WeakPolarHBondContact O-CB 3.48Å
137	R	68.3	Low	84.8	Confident	240 Å²	240	62.3 Å²	62.3	91%	0.906	34%	0.341	S	S	*	.	S	Bend	trans	-106.1	-6.6	-176.5	-67.1	-174.8	179.1	-177.4	-0.2	113.5
138	G	70.6	Confident	84.8	Confident	23 Å²	23	64.4 Å²	64.4	24%	0.237	34%	0.344	C	S	.	.	S	Bend	trans	-85.8	-169.1	175.2	0	0	0	0	0	112.4	E140 A141	G138-E140 VanDerWaalsContact C-OE2 3.3Å; G138-E140 VanDerWaalsContact CA-OE1 3.28Å; G138-E140 WeakPolarHBondContact CA-OE1 3Å; G138-E140 WeakPolarHBondContact CA-OE2 3.24Å; G138-E140 PolarHBondContact N-OE1 3.44Å; G138-E140 VanDerWaalsContact N-OE1 3.15Å; G138-E140 PolarHBondContact O-N 3.23Å; G138-A141 WeakPolarHBondContact O-CB 3.32Å; G138-A141 PolarHBondContact O-N 2.92Å
139	V	74.8	Confident	84.9	Confident	41 Å²	41	60.7 Å²	60.7	25%	0.248	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-60.7	-26.6	179.8	66.6	0	0	0	0	112	D20 A141 A142 W143	D20-V139 HydrophobicContact CB-CB 4.34Å; V139-A141 PolarHBondContact O-N 2.92Å; V139-A141 VanDerWaalsContact O-N 3.13Å; V139-A142 WeakPolarHBondContact O-CB 3.29Å; V139-A142 PolarHBondContact O-N 2.79Å; V139-W143 HydrophobicContact CB-CH2 4.43Å; V139-W143 HydrophobicContact CB-CZ3 4.34Å; V139-W143 HydrophobicContact CG1-CH2 3.66Å; V139-W143 HydrophobicContact CG1-CZ3 4.04Å; V139-W143 HydrophobicContact CG2-CH2 4.32Å; V139-W143 HydrophobicContact CG2-CZ3 3.81Å; V139-W143 WeakPolarHBondContact O-CZ3 3.46Å
140	E	79.8	Confident	85.1	Confident	71 Å²	71	60.2 Å²	60.2	33%	0.332	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-59.3	-23.9	177.9	62.6	-82.5	179.6	0	0	114.2	S136 G138 A142 W143 A144	S136-E140 WeakPolarHBondContact CB-OE1 3.48Å; S136-E140 WeakPolarHBondContact OG-CG 3.4Å; G138-E140 VanDerWaalsContact C-OE2 3.3Å; G138-E140 VanDerWaalsContact CA-OE1 3.28Å; G138-E140 WeakPolarHBondContact CA-OE1 3Å; G138-E140 WeakPolarHBondContact CA-OE2 3.24Å; G138-E140 PolarHBondContact N-OE1 3.44Å; G138-E140 VanDerWaalsContact N-OE1 3.15Å; G138-E140 PolarHBondContact O-N 3.23Å; E140-A142 PolarHBondContact O-N 3.04Å; E140-A142 VanDerWaalsContact O-N 3.15Å; E140-W143 VanDerWaalsContact CA-CE2 3.46Å; E140-W143 VanDerWaalsContact CA-CZ2 3.41Å; E140-W143 HydrophobicContact CB-CH2 4.26Å; E140-W143 HydrophobicContact CB-CZ2 3.62Å; E140-W143 PolarHBondContact O-N 3.14Å; E140-W143 VanDerWaalsContact O-N 3.1Å; E140-A144 WeakPolarHBondContact O-CB 3.27Å; E140-A144 PolarHBondContact O-N 3.1Å
141	A	82.6	Confident	85.3	Confident	26 Å²	26	59.7 Å²	59.7	22%	0.215	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-61.7	-21	174	0	0	0	0	0	113	S136 G138 V139 W143	S136-A141 VanDerWaalsContact O-CB 3.26Å; S136-A141 WeakPolarHBondContact O-CB 3.48Å; G138-A141 WeakPolarHBondContact O-CB 3.32Å; G138-A141 PolarHBondContact O-N 2.92Å; V139-A141 PolarHBondContact O-N 2.92Å; V139-A141 VanDerWaalsContact O-N 3.13Å; A141-W143 VanDerWaalsContact C-N 3.31Å
142	A	83.4	Confident	85.7	Confident	37 Å²	37	57.9 Å²	57.9	31%	0.306	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-72.3	-22.1	177.4	0	0	0	0	0	113.1	Y22 P125 V139 E140	Y22-A142 HydrophobicContact CD2-CB 3.98Å; Y22-A142 HydrophobicContact CG-CB 4.18Å; P125-A142 WeakPolarHBondContact CA-O 3.48Å; V139-A142 WeakPolarHBondContact O-CB 3.29Å; V139-A142 PolarHBondContact O-N 2.79Å; E140-A142 PolarHBondContact O-N 3.04Å; E140-A142 VanDerWaalsContact O-N 3.15Å
143	W	87.1	Confident	86.2	Confident	100 Å²	100	50.2 Å²	50.2	38%	0.379	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.3	-25.8	-177.4	62.8	77.4	0	0	0	114.9	P125 Y126 V127 V139 E140 A141 G145	P125-W143 CarbonylContact C-O 3.56Å; Y126-W143 PolarHBondContact N-O 3.01Å; V127-W143 WeakPolarHBondContact CA-O 3.13Å; V127-W143 HydrophobicContact CB-CB 4.26Å; V127-W143 VanDerWaalsContact CB-O 3.27Å; V127-W143 WeakPolarHBondContact CB-O 3.34Å; V127-W143 HydrophobicContact CG2-CB 3.84Å; V127-W143 PolarHBondContact N-O 2.86Å; V139-W143 HydrophobicContact CB-CH2 4.43Å; V139-W143 HydrophobicContact CB-CZ3 4.34Å; V139-W143 HydrophobicContact CG1-CH2 3.66Å; V139-W143 HydrophobicContact CG1-CZ3 4.04Å; V139-W143 HydrophobicContact CG2-CH2 4.32Å; V139-W143 HydrophobicContact CG2-CZ3 3.81Å; V139-W143 WeakPolarHBondContact O-CZ3 3.46Å; E140-W143 VanDerWaalsContact CA-CE2 3.46Å; E140-W143 VanDerWaalsContact CA-CZ2 3.41Å; E140-W143 HydrophobicContact CB-CH2 4.26Å; E140-W143 HydrophobicContact CB-CZ2 3.62Å; E140-W143 PolarHBondContact O-N 3.14Å; E140-W143 VanDerWaalsContact O-N 3.1Å; A141-W143 VanDerWaalsContact C-N 3.31Å; W143-G145 PolarHBondContact O-N 2.86Å
144	A	91.9	Very high	86.9	Confident	2 Å²	2	49.1 Å²	49.1	2%	0.017	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-67.3	96	-174.4	0	0	0	0	0	113.3	T129 E133 E140	T129-A144 HydrophobicContact CG2-CB 4.33Å; T129-A144 WeakPolarHBondContact OG1-CA 3.49Å; E133-A144 HydrophobicContact CB-CB 4.15Å; E133-A144 WeakPolarHBondContact O-CB 3.47Å; E140-A144 WeakPolarHBondContact O-CB 3.27Å; E140-A144 PolarHBondContact O-N 3.1Å
145	G	91.5	Very high	87.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.			trans	-95.1	-1.9	-178.6	0	0	0	0	0	115.3	P125 V127 T129 W143 G149 R150 Q151	P125-G145 WeakPolarHBondContact O-CA 3.46Å; V127-G145 WeakPolarHBondContact O-CA 3.44Å; V127-G145 PolarHBondContact O-N 2.85Å; T129-G145 PolarHBondContact OG1-N 2.81Å; W143-G145 PolarHBondContact O-N 2.86Å; G145-G149 CarbonylContact O-C 3.58Å; G145-G149 VanDerWaalsContact O-C 3.26Å; G145-G149 WeakPolarHBondContact O-CA 3.41Å; G145-R150 PolarHBondContact O-N 3.24Å; G145-Q151 WeakPolarHBondContact O-CB 3.24Å; G145-Q151 PolarHBondContact O-N 3.12Å
146	G	94.6	Very high	88.6	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.			trans	69	-149.8	-179.5	0	0	0	0	0	113.6	T129 V134 R148 G149	T129-G146 PolarHBondContact N-O 2.93Å; T129-G146 CarbonylContact O-C 3.56Å; T129-G146 VanDerWaalsContact O-CA 3.22Å; T129-G146 WeakPolarHBondContact O-CA 3.44Å; T129-G146 VanDerWaalsContact O-O 3.13Å; T129-G146 WeakPolarHBondContact OG1-CA 3.48Å; T129-G146 PolarHBondContact OG1-N 3.26Å; V134-G146 VanDerWaalsContact CG2-N 3.27Å; G146-R148 PolarHBondContact O-N 3.02Å; G146-G149 WeakPolarHBondContact O-CA 3.32Å; G146-G149 PolarHBondContact O-N 3.36Å
147	E	92.6	Very high	89.6	Confident	134 Å²	134	48.5 Å²	48.5	63%	0.626	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-55.5	126.4	179.1	-171.5	-178.7	-174.7	0	0	111	G149 R150	E147-G149 PolarHBondContact O-N 3.06Å; E147-R150 PolarHBondContact O-N 3.21Å
148	R	93.1	Very high	91	Very high	85 Å²	85	39.4 Å²	39.4	32%	0.321	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	56.4	11	-174.4	-57.7	168.1	58.1	-176	2	114.7	G146 R150 N178 E182	G146-R148 PolarHBondContact O-N 3.02Å; R148-R150 VanDerWaalsContact C-N 3.26Å; R148-R150 HydrophobicContact CB-CG 4.39Å; R148-R150 VanDerWaalsContact NH2-NH1 3.11Å; R148-R150 PolarHBondContact O-N 2.89Å; R148-N178 PolarHBondContact O-ND2 3.17Å; R148-E182 IonicContact CZ-OE1 3.52Å; R148-E182 IonicContact CZ-OE2 2.88Å; R148-E182 IonicContact NH1-OE1 3.93Å; R148-E182 PolarHBondContact NH1-OE1 3.23Å; R148-E182 IonicContact NH1-OE2 4Å; R148-E182 IonicContact NH2-OE1 3.69Å; R148-E182 PolarHBondContact NH2-OE1 2.94Å; R148-E182 VanDerWaalsContact NH2-OE1 3.09Å; R148-E182 IonicContact NH2-OE2 3.34Å; R148-E182 PolarHBondContact NH2-OE2 2.74Å
149	G	95.8	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	64.7	29.2	-175.3	0	0	0	0	0	113.1	Y126 G145 G146 E147 N178	Y126-G149 WeakPolarHBondContact CA-O 3.31Å; Y126-G149 WeakPolarHBondContact O-CA 3.39Å; G145-G149 CarbonylContact O-C 3.58Å; G145-G149 VanDerWaalsContact O-C 3.26Å; G145-G149 WeakPolarHBondContact O-CA 3.41Å; G146-G149 WeakPolarHBondContact O-CA 3.32Å; G146-G149 PolarHBondContact O-N 3.36Å; E147-G149 PolarHBondContact O-N 3.06Å; G149-N178 PolarHBondContact O-ND2 2.81Å; G149-N178 VanDerWaalsContact O-ND2 3.14Å
150	R	96.1	Very high	93.4	Very high	9 Å²	9	38.1 Å²	38.1	3%	0.034	19%	0.185	C	C	.	.			trans	-124.8	-6.3	-169.7	-76.5	-122.9	-52.6	-116.6	-3.4	115.4	G145 E147 R148 V152 T153 D154 N178 E182	G145-R150 PolarHBondContact O-N 3.24Å; E147-R150 PolarHBondContact O-N 3.21Å; R148-R150 VanDerWaalsContact C-N 3.26Å; R148-R150 HydrophobicContact CB-CG 4.39Å; R148-R150 VanDerWaalsContact NH2-NH1 3.11Å; R148-R150 PolarHBondContact O-N 2.89Å; R150-V152 VanDerWaalsContact C-N 3.28Å; R150-V152 PolarHBondContact O-N 3.41Å; R150-T153 CarbonylContact O-C 3.32Å; R150-T153 PolarHBondContact O-N 2.89Å; R150-T153 VanDerWaalsContact O-N 3.13Å; R150-D154 IonicContact CZ-OD1 3.44Å; R150-D154 IonicContact CZ-OD2 3.54Å; R150-D154 IonicContact NE-OD1 3.09Å; R150-D154 PolarHBondContact NE-OD1 2.98Å; R150-D154 IonicContact NE-OD2 2.73Å; R150-D154 PolarHBondContact NE-OD2 3.13Å; R150-D154 IonicContact NH2-OD1 3.5Å; R150-D154 IonicContact NH2-OD2 2.8Å; R150-D154 PolarHBondContact NH2-OD2 3.43Å; R150-D154 WeakPolarHBondContact O-CB 3.44Å; R150-D154 PolarHBondContact O-N 3.45Å; R150-N178 VanDerWaalsContact CD-O 3.29Å; R150-N178 WeakPolarHBondContact CD-O 3.4Å; R150-N178 HydrophobicContact CG-CB 3.89Å; R150-N178 PolarHBondContact NH1-O 2.78Å; R150-E182 IonicContact CZ-OE1 3.8Å; R150-E182 IonicContact NH1-OE1 2.69Å; R150-E182 PolarHBondContact NH1-OE1 3.14Å; R150-E182 IonicContact NH2-OE1 3.41Å; R150-E182 PolarHBondContact NH2-OE1 3.21Å
151	Q	96.7	Very high	94.1	Very high	55 Å²	55	35.6 Å²	35.6	26%	0.257	18%	0.176	S	C	.	.	H	α-helix	trans	-60.4	-38.8	-171.9	-68.5	-175.5	-11.2	0	0	112.8	S131 G145 R155	S131-Q151 PolarHBondContact OG-NE2 3.44Å; G145-Q151 WeakPolarHBondContact O-CB 3.24Å; G145-Q151 PolarHBondContact O-N 3.12Å; Q151-R155 WeakPolarHBondContact O-CD 3.33Å; Q151-R155 WeakPolarHBondContact O-CG 3.48Å; Q151-R155 PolarHBondContact O-N 3.26Å
152	V	96.3	Very high	94.7	Very high	17 Å²	17	38.9 Å²	38.9	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-72.4	-44.7	175.7	-176	0	0	0	0	111.1	L105 F122 P125 V134 R150 R155 F156	L105-V152 HydrophobicContact CD2-CG1 4.18Å; F122-V152 HydrophobicContact CZ-CG1 3.98Å; P125-V152 HydrophobicContact CG-CB 3.83Å; P125-V152 HydrophobicContact CG-CG1 3.95Å; P125-V152 HydrophobicContact CG-CG2 3.67Å; V134-V152 HydrophobicContact CG1-CG2 3.69Å; R150-V152 VanDerWaalsContact C-N 3.28Å; R150-V152 PolarHBondContact O-N 3.41Å; V152-R155 PolarHBondContact O-N 3.4Å; V152-F156 PolarHBondContact O-N 3.09Å
153	T	97.4	Very high	95.4	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-50.1	176.9	-58.8	0	0	0	0	111.6	P124 R150 R155 F156 L157 L172	P124-T153 WeakPolarHBondContact CB-OG1 3.36Å; P124-T153 WeakPolarHBondContact CG-OG1 3.48Å; R150-T153 CarbonylContact O-C 3.32Å; R150-T153 PolarHBondContact O-N 2.89Å; R150-T153 VanDerWaalsContact O-N 3.13Å; T153-R155 VanDerWaalsContact C-N 3.27Å; T153-R155 PolarHBondContact O-N 3.49Å; T153-F156 WeakPolarHBondContact O-CA 3.28Å; T153-F156 WeakPolarHBondContact O-CB 3.33Å; T153-F156 PolarHBondContact O-N 3.22Å; T153-L157 HydrophobicContact CG2-CD1 4.39Å; T153-L157 HydrophobicContact CG2-CD2 4.02Å; T153-L157 HydrophobicContact CG2-CG 4.16Å; T153-L157 WeakPolarHBondContact O-CG 3.47Å; T153-L157 PolarHBondContact O-N 3.41Å; T153-L172 HydrophobicContact CG2-CD1 4.34Å; T153-L172 HydrophobicContact CG2-CD2 4.04Å
154	D	97.4	Very high	96	Very high	61 Å²	61	32.4 Å²	32.4	33%	0.326	16%	0.155	S	C	.	.	H	α-helix	trans	-65.3	-29.7	-176	-72.5	-4.9	0	0	0	111.9	R150 F156 P158	R150-D154 IonicContact CZ-OD1 3.44Å; R150-D154 IonicContact CZ-OD2 3.54Å; R150-D154 IonicContact NE-OD1 3.09Å; R150-D154 PolarHBondContact NE-OD1 2.98Å; R150-D154 IonicContact NE-OD2 2.73Å; R150-D154 PolarHBondContact NE-OD2 3.13Å; R150-D154 IonicContact NH2-OD1 3.5Å; R150-D154 IonicContact NH2-OD2 2.8Å; R150-D154 PolarHBondContact NH2-OD2 3.43Å; R150-D154 WeakPolarHBondContact O-CB 3.44Å; R150-D154 PolarHBondContact O-N 3.45Å; D154-F156 VanDerWaalsContact C-N 3.3Å; D154-P158 VanDerWaalsContact O-CD 3.3Å; D154-P158 WeakPolarHBondContact O-CD 3.25Å
155	R	97.3	Very high	96.3	Very high	115 Å²	115	32.7 Å²	32.7	43%	0.434	16%	0.156	S	C	.	.	H	α-helix	trans	-65.8	-32.3	168.8	-75.7	168.3	56.5	-152.7	-8.7	112.7	D104 L105 Q151 V152 T153	D104-R155 IonicContact OD1-CZ 2.84Å; D104-R155 IonicContact OD1-NH2 2.94Å; D104-R155 PolarHBondContact OD1-NH2 3.11Å; D104-R155 IonicContact OD2-NH2 2.77Å; D104-R155 PolarHBondContact OD2-NH2 3.48Å; L105-R155 HydrophobicContact CD1-CB 4.12Å; Q151-R155 WeakPolarHBondContact O-CD 3.33Å; Q151-R155 WeakPolarHBondContact O-CG 3.48Å; Q151-R155 PolarHBondContact O-N 3.26Å; V152-R155 PolarHBondContact O-N 3.4Å; T153-R155 VanDerWaalsContact C-N 3.27Å; T153-R155 PolarHBondContact O-N 3.49Å
156	F	98.1	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-86.4	-34.8	-175.4	-176.3	-117	0	0	0	113.8	V53 L105 V106 L120 F122 V152 T153 D154 P158 L159 V160 L163 F170	V53-F156 HydrophobicContact CB-CZ 4.4Å; V53-F156 HydrophobicContact CG2-CE1 4.39Å; V53-F156 HydrophobicContact CG2-CE2 3.84Å; V53-F156 HydrophobicContact CG2-CZ 3.59Å; L105-F156 HydrophobicContact CB-CD2 4.28Å; L105-F156 HydrophobicContact CD1-CB 4.13Å; L105-F156 HydrophobicContact CD1-CD2 4.34Å; L105-F156 HydrophobicContact CD2-CB 4.1Å; L105-F156 HydrophobicContact CD2-CD2 4.15Å; L105-F156 HydrophobicContact CD2-CG 4.35Å; L105-F156 HydrophobicContact CG-CD2 4.5Å; V106-F156 HydrophobicContact CG1-CE2 3.82Å; V106-F156 HydrophobicContact CG2-CE2 4.11Å; L120-F156 HydrophobicContact CD1-CZ 4.12Å; L120-F156 HydrophobicContact CD2-CE1 4.14Å; L120-F156 HydrophobicContact CD2-CZ 3.81Å; L120-F156 HydrophobicContact CG-CZ 4.23Å; F122-F156 HydrophobicContact CB-CE1 4.22Å; F122-F156 HydrophobicContact CD1-CB 4.37Å; F122-F156 AromaticContact CD1-CD1 3.34Å; F122-F156 HydrophobicContact CD1-CD1 3.34Å; F122-F156 AromaticContact CD1-CE1 3.78Å; F122-F156 HydrophobicContact CD1-CE1 3.78Å; F122-F156 HydrophobicContact CD1-CG 4.01Å; F122-F156 HydrophobicContact CE1-CB 3.87Å; F122-F156 AromaticContact CE1-CD1 3.71Å; F122-F156 HydrophobicContact CE1-CD1 3.71Å; F122-F156 HydrophobicContact CE1-CE1 4.46Å; F122-F156 AromaticContact CE1-CG 3.9Å; F122-F156 HydrophobicContact CE1-CG 3.9Å; F122-F156 HydrophobicContact CG-CD1 4.27Å; F122-F156 HydrophobicContact CG-CE1 4.29Å; V152-F156 PolarHBondContact O-N 3.09Å; T153-F156 WeakPolarHBondContact O-CA 3.28Å; T153-F156 WeakPolarHBondContact O-CB 3.33Å; T153-F156 PolarHBondContact O-N 3.22Å; D154-F156 VanDerWaalsContact C-N 3.3Å; F156-P158 VanDerWaalsContact C-CD 3.46Å; F156-L159 HydrophobicContact CD2-CB 4.3Å; F156-L159 HydrophobicContact CD2-CD1 4.29Å; F156-L159 HydrophobicContact CE2-CB 4.45Å; F156-L159 WeakPolarHBondContact O-CA 3.38Å; F156-L159 VanDerWaalsContact O-CB 3.32Å; F156-L159 WeakPolarHBondContact O-CB 3.45Å; F156-L159 PolarHBondContact O-N 3.42Å; F156-V160 HydrophobicContact CD1-CG2 3.73Å; F156-V160 HydrophobicContact CE1-CG2 3.48Å; F156-V160 VanDerWaalsContact CE1-CG2 3.48Å; F156-V160 HydrophobicContact CG-CG2 4.48Å; F156-V160 HydrophobicContact CZ-CG2 4.01Å; F156-V160 PolarHBondContact O-N 2.8Å; F156-L163 HydrophobicContact CE2-CD1 4.24Å; F156-L163 HydrophobicContact CZ-CD1 4.38Å; F156-F170 HydrophobicContact CD1-CZ 4.27Å; F156-F170 AromaticContact CE1-CE2 3.92Å; F156-F170 HydrophobicContact CE1-CE2 3.92Å; F156-F170 AromaticContact CE1-CZ 3.96Å; F156-F170 HydrophobicContact CE1-CZ 3.96Å
157	L	97.2	Very high	96.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-51.1	-42.6	-175	-62.8	-179.3	0	0	0	114.4	T153 L159 V160 F170 L172 I183 L186 M187	T153-L157 HydrophobicContact CG2-CD1 4.39Å; T153-L157 HydrophobicContact CG2-CD2 4.02Å; T153-L157 HydrophobicContact CG2-CG 4.16Å; T153-L157 WeakPolarHBondContact O-CG 3.47Å; T153-L157 PolarHBondContact O-N 3.41Å; L157-L159 PolarHBondContact O-N 3.15Å; L157-V160 WeakPolarHBondContact O-CB 3.41Å; L157-V160 PolarHBondContact O-N 3.21Å; L157-F170 HydrophobicContact CD2-CE1 4.35Å; L157-L172 HydrophobicContact CD2-CD2 4.26Å; L157-I183 HydrophobicContact CD1-CG2 4.03Å; L157-I183 HydrophobicContact CD2-CG2 4.24Å; L157-L186 HydrophobicContact CD1-CD2 3.64Å; L157-L186 HydrophobicContact CD1-CG 4.45Å; L157-M187 HydrophobicContact CB-SD 3.8Å; L157-M187 HydrophobicContact CD1-SD 4.41Å; L157-M187 HydrophobicContact CD2-CE 4.24Å; L157-M187 HydrophobicContact CD2-CG 4.3Å; L157-M187 HydrophobicContact CD2-SD 3.73Å; L157-M187 HydrophobicContact CG-SD 4.15Å
158	P	96.1	Very high	96.8	Very high	49 Å²	49	38 Å²	38	32%	0.318	19%	0.185	S	C	.	.	H	α-helix	trans	-65	-22.9	176.7	-21.9	34.4	0	0	0	114.4	D154 F156 Q162 F190	D154-P158 VanDerWaalsContact O-CD 3.3Å; D154-P158 WeakPolarHBondContact O-CD 3.25Å; F156-P158 VanDerWaalsContact C-CD 3.46Å; P158-Q162 PolarHBondContact O-NE2 2.9Å; P158-F190 HydrophobicContact CB-CE1 4.31Å; P158-F190 HydrophobicContact CB-CZ 4.19Å; P158-F190 HydrophobicContact CG-CE2 4.45Å; P158-F190 HydrophobicContact CG-CZ 3.96Å
159	L	98.1	Very high	97.1	Very high	37 Å²	37	34.7 Å²	34.7	19%	0.194	17%	0.174	C	C	.	.	H	α-helix	trans	-81.7	-29.1	179.4	-53.3	-179	0	0	0	111.6	L105 V106 L110 F156 L157 A161 Q162 L163	L105-L159 HydrophobicContact CD1-CD1 4.39Å; V106-L159 HydrophobicContact CG2-CB 4.28Å; V106-L159 HydrophobicContact CG2-CD1 3.69Å; L110-L159 HydrophobicContact CD1-CD2 4.18Å; F156-L159 HydrophobicContact CD2-CB 4.3Å; F156-L159 HydrophobicContact CD2-CD1 4.29Å; F156-L159 HydrophobicContact CE2-CB 4.45Å; F156-L159 WeakPolarHBondContact O-CA 3.38Å; F156-L159 VanDerWaalsContact O-CB 3.32Å; F156-L159 WeakPolarHBondContact O-CB 3.45Å; F156-L159 PolarHBondContact O-N 3.42Å; L157-L159 PolarHBondContact O-N 3.15Å; L159-A161 VanDerWaalsContact C-N 3.3Å; L159-A161 PolarHBondContact O-N 3.36Å; L159-Q162 WeakPolarHBondContact O-CB 3.43Å; L159-Q162 PolarHBondContact O-N 2.81Å; L159-L163 WeakPolarHBondContact O-CG 3.42Å; L159-L163 PolarHBondContact O-N 2.94Å
160	V	98	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-55.5	-47	178	176.7	0	0	0	0	111.1	L120 F156 L157 Q162 L163 L164 F170 M187 L192	L120-V160 HydrophobicContact CD2-CB 4.34Å; L120-V160 HydrophobicContact CD2-CG1 4.01Å; L120-V160 HydrophobicContact CD2-CG2 4.07Å; F156-V160 HydrophobicContact CD1-CG2 3.73Å; F156-V160 HydrophobicContact CE1-CG2 3.48Å; F156-V160 VanDerWaalsContact CE1-CG2 3.48Å; F156-V160 HydrophobicContact CG-CG2 4.48Å; F156-V160 HydrophobicContact CZ-CG2 4.01Å; F156-V160 PolarHBondContact O-N 2.8Å; L157-V160 WeakPolarHBondContact O-CB 3.41Å; L157-V160 PolarHBondContact O-N 3.21Å; V160-Q162 PolarHBondContact O-N 3.47Å; V160-L163 PolarHBondContact O-N 3.19Å; V160-L164 HydrophobicContact CG1-CD1 3.66Å; V160-L164 HydrophobicContact CG1-CG 3.96Å; V160-L164 WeakPolarHBondContact O-CG 3.47Å; V160-L164 PolarHBondContact O-N 2.83Å; V160-F170 HydrophobicContact CB-CD1 4.46Å; V160-F170 HydrophobicContact CG1-CB 3.99Å; V160-F170 HydrophobicContact CG1-CD1 3.61Å; V160-F170 HydrophobicContact CG1-CE1 4.21Å; V160-F170 HydrophobicContact CG1-CG 3.84Å; V160-F170 HydrophobicContact CG2-CD1 4.05Å; V160-F170 HydrophobicContact CG2-CE1 3.79Å; V160-F170 HydrophobicContact CG2-CE2 4.49Å; V160-F170 HydrophobicContact CG2-CG 4.49Å; V160-F170 HydrophobicContact CG2-CZ 4.01Å; V160-M187 HydrophobicContact CB-CE 3.9Å; V160-M187 HydrophobicContact CG1-CE 3.69Å; V160-M187 HydrophobicContact CG2-CE 4.23Å; V160-L192 HydrophobicContact CB-CD1 4.32Å; V160-L192 HydrophobicContact CG1-CD1 3.69Å
161	A	94.3	Very high	97.4	Very high	18 Å²	18	34.2 Å²	34.2	15%	0.149	17%	0.172	C	C	.	.	H	α-helix	trans	-67.7	-17.5	179.6	0	0	0	0	0	113.6	L159 F190 L192 R214	L159-A161 VanDerWaalsContact C-N 3.3Å; L159-A161 PolarHBondContact O-N 3.36Å; A161-F190 HydrophobicContact CB-CB 3.78Å; A161-L192 HydrophobicContact CB-CD1 4.08Å; A161-L192 HydrophobicContact CB-CG 4.49Å; A161-R214 PolarHBondContact O-NH1 3.26Å; A161-R214 PolarHBondContact O-NH2 3.24Å
162	Q	96.5	Very high	97.5	Very high	95 Å²	95	31.6 Å²	31.6	44%	0.444	16%	0.16	S	C	.	.	H	α-helix	trans	-86	-38	173	-62.1	176	55	0	0	111.1	C114 G115 P158 L159 V160	C114-Q162 CarbonylContact C-O 3.5Å; C114-Q162 WeakPolarHBondContact CA-O 3.36Å; G115-Q162 PolarHBondContact N-O 3.42Å; P158-Q162 PolarHBondContact O-NE2 2.9Å; L159-Q162 WeakPolarHBondContact O-CB 3.43Å; L159-Q162 PolarHBondContact O-N 2.81Å; V160-Q162 PolarHBondContact O-N 3.47Å
163	L	98.4	Very high	97.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-75.5	-46.6	-176.3	-73.9	170.2	0	0	0	114	V106 L110 L113 G115 K116 V117 L120 F156 L159 V160 S165	V106-L163 HydrophobicContact CB-CD1 4.27Å; V106-L163 HydrophobicContact CG1-CD1 4Å; V106-L163 HydrophobicContact CG2-CD1 4Å; L110-L163 HydrophobicContact CD2-CD2 3.6Å; L110-L163 HydrophobicContact CD2-CG 4.23Å; L110-L163 HydrophobicContact CG-CD2 4.47Å; L113-L163 HydrophobicContact CB-CD2 3.96Å; G115-L163 CarbonylContact C-O 3.41Å; G115-L163 PolarHBondContact N-O 2.88Å; K116-L163 PolarHBondContact N-O 3.11Å; K116-L163 VanDerWaalsContact N-O 3.08Å; V117-L163 HydrophobicContact CB-CB 4.37Å; V117-L163 HydrophobicContact CG2-CB 4.01Å; V117-L163 HydrophobicContact CG2-CD2 4.12Å; V117-L163 PolarHBondContact N-O 3.04Å; L120-L163 HydrophobicContact CD1-CD1 4.45Å; L120-L163 HydrophobicContact CD2-CD1 4.2Å; F156-L163 HydrophobicContact CE2-CD1 4.24Å; F156-L163 HydrophobicContact CZ-CD1 4.38Å; L159-L163 WeakPolarHBondContact O-CG 3.42Å; L159-L163 PolarHBondContact O-N 2.94Å; V160-L163 PolarHBondContact O-N 3.19Å; L163-S165 PolarHBondContact O-N 3.31Å
164	L	98.3	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	136.2	-168.8	-76.2	180	0	0	0	112.1	G115 V117 L120 V160 F170 L192 R214	G115-L164 WeakPolarHBondContact CA-O 3.48Å; V117-L164 CarbonylContact O-C 3.56Å; V117-L164 WeakPolarHBondContact O-CA 3.43Å; L120-L164 HydrophobicContact CB-CD2 3.88Å; L120-L164 HydrophobicContact CD2-CD2 4.37Å; V160-L164 HydrophobicContact CG1-CD1 3.66Å; V160-L164 HydrophobicContact CG1-CG 3.96Å; V160-L164 WeakPolarHBondContact O-CG 3.47Å; V160-L164 PolarHBondContact O-N 2.83Å; L164-F170 HydrophobicContact CD1-CB 3.92Å; L164-F170 HydrophobicContact CD2-CB 4.18Å; L164-F170 HydrophobicContact CG-CB 4.49Å; L164-L192 HydrophobicContact CD1-CD1 4.3Å; L164-L192 HydrophobicContact CD1-CD2 3.91Å; L164-R214 VanDerWaalsContact O-CZ 3.28Å; L164-R214 PolarHBondContact O-NE 2.89Å; L164-R214 PolarHBondContact O-NH2 3.47Å
165	S	98.2	Very high	97.6	Very high	7 Å²	7	28 Å²	28	5%	0.049	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	175.8	169.9	83.2	0	0	0	0	111.3	G115 V117 D118 L163 R167 G168 R214	G115-S165 VanDerWaalsContact O-CA 3.32Å; G115-S165 WeakPolarHBondContact O-CA 3.46Å; G115-S165 WeakPolarHBondContact O-CB 3.26Å; V117-S165 PolarHBondContact O-N 2.78Å; D118-S165 VanDerWaalsContact OD1-CB 3.26Å; D118-S165 WeakPolarHBondContact OD1-CB 3.46Å; D118-S165 PolarHBondContact OD1-OG 3.33Å; L163-S165 PolarHBondContact O-N 3.31Å; S165-R167 PolarHBondContact O-N 3.06Å; S165-R167 PolarHBondContact OG-N 3.29Å; S165-G168 PolarHBondContact O-N 3.33Å; S165-G168 PolarHBondContact OG-N 3.49Å; S165-G168 VanDerWaalsContact OG-N 3.15Å; S165-R214 VanDerWaalsContact O-CD 3.28Å; S165-R214 WeakPolarHBondContact O-CD 3.47Å; S165-R214 PolarHBondContact O-NE 3.17Å; S165-R214 VanDerWaalsContact O-NE 3.1Å
166	S	96.3	Very high	97.6	Very high	95 Å²	95	23.9 Å²	23.9	66%	0.664	13%	0.13	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	-23.9	174.7	54.9	0	0	0	0	113.2
167	R	95.6	Very high	97.5	Very high	151 Å²	151	28.1 Å²	28.1	57%	0.57	15%	0.15	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110	6.4	179.1	-57	-178	-62.8	169.8	6.7	112.2	M45 S165	M45-R167 WeakPolarHBondContact CE-O 3.33Å; S165-R167 PolarHBondContact O-N 3.06Å; S165-R167 PolarHBondContact OG-N 3.29Å
168	G	98.1	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	140.8	-168.1	0	0	0	0	0	113.4	D118 S165	D118-G168 CarbonylContact O-C 3.6Å; D118-G168 VanDerWaalsContact O-CA 3.24Å; D118-G168 WeakPolarHBondContact O-CA 3.42Å; S165-G168 PolarHBondContact O-N 3.33Å; S165-G168 PolarHBondContact OG-N 3.49Å; S165-G168 VanDerWaalsContact OG-N 3.15Å
169	L	98.7	Very high	97.6	Very high	15 Å²	15	31 Å²	31	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.4	170.6	-62.8	179.6	0	0	0	110.2	L42 M45 D118 V119 L120 Y171 F212 H213	L42-L169 HydrophobicContact CD2-CD1 4.17Å; M45-L169 HydrophobicContact CE-CD1 4.13Å; M45-L169 HydrophobicContact CE-CG 3.99Å; M45-L169 HydrophobicContact SD-CD1 3.55Å; M45-L169 VanDerWaalsContact SD-CD1 3.55Å; M45-L169 HydrophobicContact SD-CG 4.01Å; D118-L169 PolarHBondContact O-N 3.08Å; V119-L169 CarbonylContact C-O 3.51Å; V119-L169 WeakPolarHBondContact CA-O 3.43Å; L120-L169 PolarHBondContact N-O 3.1Å; L169-Y171 HydrophobicContact CB-CD2 4.45Å; L169-Y171 HydrophobicContact CB-CE2 3.74Å; L169-Y171 HydrophobicContact CD1-CE2 4.28Å; L169-F212 CarbonylContact C-O 3.51Å; L169-F212 WeakPolarHBondContact CA-O 3.22Å; L169-H213 HydrophobicContact CD2-CB 3.83Å
170	F	98.9	Very high	97.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.7	171.8	166.5	-131.1	0	0	0	110.6	L120 F122 F156 L157 V160 L164 L172 M187 R211 F212	L120-F170 HydrophobicContact CB-CB 4.21Å; L120-F170 HydrophobicContact CB-CD2 3.95Å; L120-F170 HydrophobicContact CD2-CB 4.46Å; L120-F170 HydrophobicContact CD2-CD2 3.86Å; L120-F170 HydrophobicContact CD2-CE2 4.37Å; L120-F170 HydrophobicContact CD2-CG 4.27Å; L120-F170 HydrophobicContact CG-CD2 3.71Å; L120-F170 HydrophobicContact CG-CE2 4.25Å; L120-F170 HydrophobicContact CG-CG 4.5Å; L120-F170 CarbonylContact O-C 3.4Å; L120-F170 VanDerWaalsContact O-CA 3.28Å; L120-F170 WeakPolarHBondContact O-CA 3.47Å; L120-F170 WeakPolarHBondContact O-CD2 3.33Å; F122-F170 HydrophobicContact CB-CE2 3.78Å; F122-F170 HydrophobicContact CB-CZ 4.25Å; F156-F170 HydrophobicContact CD1-CZ 4.27Å; F156-F170 AromaticContact CE1-CE2 3.92Å; F156-F170 HydrophobicContact CE1-CE2 3.92Å; F156-F170 AromaticContact CE1-CZ 3.96Å; F156-F170 HydrophobicContact CE1-CZ 3.96Å; L157-F170 HydrophobicContact CD2-CE1 4.35Å; V160-F170 HydrophobicContact CB-CD1 4.46Å; V160-F170 HydrophobicContact CG1-CB 3.99Å; V160-F170 HydrophobicContact CG1-CD1 3.61Å; V160-F170 HydrophobicContact CG1-CE1 4.21Å; V160-F170 HydrophobicContact CG1-CG 3.84Å; V160-F170 HydrophobicContact CG2-CD1 4.05Å; V160-F170 HydrophobicContact CG2-CE1 3.79Å; V160-F170 HydrophobicContact CG2-CE2 4.49Å; V160-F170 HydrophobicContact CG2-CG 4.49Å; V160-F170 HydrophobicContact CG2-CZ 4.01Å; L164-F170 HydrophobicContact CD1-CB 3.92Å; L164-F170 HydrophobicContact CD2-CB 4.18Å; L164-F170 HydrophobicContact CG-CB 4.49Å; F170-L172 HydrophobicContact CE1-CB 3.92Å; F170-L172 HydrophobicContact CE1-CD2 4.22Å; F170-L172 HydrophobicContact CE2-CB 4.17Å; F170-L172 HydrophobicContact CZ-CB 3.64Å; F170-L172 HydrophobicContact CZ-CD1 3.98Å; F170-L172 HydrophobicContact CZ-CD2 4.21Å; F170-L172 HydrophobicContact CZ-CG 4.14Å; F170-M187 HydrophobicContact CD1-CE 3.88Å; F170-M187 HydrophobicContact CE1-CE 3.99Å; F170-R211 CarbonylContact O-C 3.58Å; F170-R211 VanDerWaalsContact O-CA 3.27Å; F170-R211 WeakPolarHBondContact O-CA 3.03Å; F170-F212 HydrophobicContact CB-CB 4.2Å; F170-F212 HydrophobicContact CD1-CB 4.18Å; F170-F212 AromaticContact CD1-CD2 3.4Å; F170-F212 HydrophobicContact CD1-CD2 3.4Å; F170-F212 HydrophobicContact CD1-CE2 4.09Å; F170-F212 HydrophobicContact CD1-CG 4.05Å; F170-F212 AromaticContact CE1-CD2 3.91Å; F170-F212 HydrophobicContact CE1-CD2 3.91Å; F170-F212 HydrophobicContact CE1-CE2 4.13Å; F170-F212 HydrophobicContact CG-CD2 4.24Å; F170-F212 PolarHBondContact N-O 2.96Å; F170-F212 PolarHBondContact O-N 3.43Å
171	Y	98.9	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129	175.8	-62.9	-101	0	0	0	110.1	L35 D38 V119 L120 L121 F122 L169 V209 L210 R211	L35-Y171 HydrophobicContact CD2-CD1 4.26Å; L35-Y171 HydrophobicContact CD2-CD2 4.08Å; L35-Y171 HydrophobicContact CD2-CE1 4.2Å; L35-Y171 HydrophobicContact CD2-CE2 4.04Å; L35-Y171 HydrophobicContact CD2-CG 4.2Å; D38-Y171 VanDerWaalsContact OD2-CE1 3.24Å; D38-Y171 WeakPolarHBondContact OD2-CE1 3.21Å; D38-Y171 PolarHBondContact OD2-OH 2.84Å; V119-Y171 HydrophobicContact CG1-CD2 4.43Å; V119-Y171 HydrophobicContact CG1-CE2 4.39Å; L120-Y171 PolarHBondContact O-N 3.33Å; L121-Y171 HydrophobicContact CD2-CD2 3.72Å; L121-Y171 HydrophobicContact CD2-CG 4.04Å; F122-Y171 PolarHBondContact N-O 3.18Å; L169-Y171 HydrophobicContact CB-CD2 4.45Å; L169-Y171 HydrophobicContact CB-CE2 3.74Å; L169-Y171 HydrophobicContact CD1-CE2 4.28Å; Y171-V209 HydrophobicContact CD1-CG1 4.1Å; Y171-L210 CarbonylContact C-O 3.26Å; Y171-L210 VanDerWaalsContact CA-O 3.3Å; Y171-L210 WeakPolarHBondContact CA-O 3.39Å; Y171-R211 HydrophobicContact CD1-CB 4.26Å; Y171-R211 HydrophobicContact CD1-CG 4.18Å; Y171-R211 HydrophobicContact CE1-CB 4.18Å; Y171-R211 HydrophobicContact CE1-CG 3.79Å; Y171-R211 HydrophobicContact CE2-CG 4.37Å; Y171-R211 WeakPolarHBondContact OH-CD 3Å
172	L	98.9	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.1	-177.4	177.9	62.4	0	0	0	110.4	F122 P124 T153 L157 F170 T174 I183 V209 L210 F212	F122-L172 HydrophobicContact CB-CD1 4.16Å; F122-L172 HydrophobicContact CD1-CD1 4.14Å; F122-L172 HydrophobicContact CG-CD1 4.4Å; F122-L172 WeakPolarHBondContact O-CA 3.44Å; P124-L172 HydrophobicContact CG-CD1 3.84Å; T153-L172 HydrophobicContact CG2-CD1 4.34Å; T153-L172 HydrophobicContact CG2-CD2 4.04Å; L157-L172 HydrophobicContact CD2-CD2 4.26Å; F170-L172 HydrophobicContact CE1-CB 3.92Å; F170-L172 HydrophobicContact CE1-CD2 4.22Å; F170-L172 HydrophobicContact CE2-CB 4.17Å; F170-L172 HydrophobicContact CZ-CB 3.64Å; F170-L172 HydrophobicContact CZ-CD1 3.98Å; F170-L172 HydrophobicContact CZ-CD2 4.21Å; F170-L172 HydrophobicContact CZ-CG 4.14Å; L172-T174 HydrophobicContact CD2-CG2 4.12Å; L172-T174 HydrophobicContact CG-CG2 4.03Å; L172-I183 HydrophobicContact CD2-CD1 4.48Å; L172-I183 HydrophobicContact CD2-CG2 3.96Å; L172-V209 WeakPolarHBondContact O-CA 3.29Å; L172-L210 HydrophobicContact CB-CB 4.4Å; L172-L210 PolarHBondContact N-O 3.13Å; L172-L210 PolarHBondContact O-N 3.24Å; L172-F212 HydrophobicContact CB-CE2 4.18Å; L172-F212 HydrophobicContact CD2-CE2 4.34Å
173	V	98.6	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140	169.9	-175.8	0	0	0	0	109.9	D27 L31 F122 N123 P124 Y126 L207 V209	D27-V173 HydrophobicContact CB-CG1 4.2Å; L31-V173 HydrophobicContact CB-CG2 3.96Å; L31-V173 HydrophobicContact CD1-CG2 4.35Å; L31-V173 HydrophobicContact CD2-CG2 4.01Å; L31-V173 HydrophobicContact CG-CG2 4.33Å; F122-V173 PolarHBondContact O-N 3.2Å; F122-V173 VanDerWaalsContact O-N 3.11Å; N123-V173 HydrophobicContact CB-CB 4.39Å; N123-V173 HydrophobicContact CB-CG2 3.96Å; N123-V173 VanDerWaalsContact OD1-CB 3.24Å; N123-V173 WeakPolarHBondContact OD1-CB 3.28Å; N123-V173 WeakPolarHBondContact OD1-CG1 3.49Å; P124-V173 WeakPolarHBondContact CD-O 3.42Å; Y126-V173 HydrophobicContact CD1-CG1 4.31Å; Y126-V173 HydrophobicContact CE1-CG1 4.12Å; V173-L207 HydrophobicContact CG1-CD2 4.25Å; V173-V209 HydrophobicContact CG2-CG2 4.38Å
174	T	98.3	Very high	97.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.9	177.2	56.2	0	0	0	0	110.9	L172 N178 I183 L207 S208 L210	L172-T174 HydrophobicContact CD2-CG2 4.12Å; L172-T174 HydrophobicContact CG-CG2 4.03Å; T174-N178 WeakPolarHBondContact CA-OD1 3.33Å; T174-I183 HydrophobicContact CG2-CD1 3.68Å; T174-L207 CarbonylContact O-C 3.54Å; T174-L207 WeakPolarHBondContact O-CA 3.41Å; T174-S208 PolarHBondContact N-O 2.89Å; T174-S208 PolarHBondContact O-N 3.21Å; T174-S208 PolarHBondContact OG1-O 3.41Å; T174-S208 VanDerWaalsContact OG1-O 3.1Å; T174-L210 HydrophobicContact CG2-CD1 3.95Å; T174-L210 HydrophobicContact CG2-CG 4.3Å
175	I	97.3	Very high	97.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	167.1	162.2	56.4	170.7	0	0	0	110.9	Y126 E177 N178 E205 R206 L207	Y126-I175 HydrophobicContact CD2-CB 4.49Å; Y126-I175 HydrophobicContact CD2-CD1 4.02Å; Y126-I175 HydrophobicContact CD2-CG1 4.02Å; Y126-I175 HydrophobicContact CD2-CG2 3.73Å; Y126-I175 HydrophobicContact CE2-CG2 3.76Å; Y126-I175 WeakPolarHBondContact O-CD1 3.5Å; I175-E177 HydrophobicContact CD1-CB 3.93Å; I175-E177 HydrophobicContact CD1-CG 4.28Å; I175-E177 WeakPolarHBondContact CD1-OE2 3.47Å; I175-E177 HydrophobicContact CG1-CB 4.14Å; I175-E177 PolarHBondContact O-N 3.07Å; I175-N178 VanDerWaalsContact CG1-OD1 3.27Å; I175-N178 WeakPolarHBondContact CG1-OD1 3.48Å; I175-N178 PolarHBondContact N-OD1 3Å; I175-N178 WeakPolarHBondContact O-CB 3.48Å; I175-N178 PolarHBondContact O-N 3.32Å; I175-E205 HydrophobicContact CG2-CB 4.34Å; I175-R206 WeakPolarHBondContact CA-O 3.4Å; I175-L207 HydrophobicContact CG2-CD2 3.49Å; I175-L207 VanDerWaalsContact CG2-CD2 3.49Å; I175-L207 HydrophobicContact CG2-CG 4.27Å
176	A	96.4	Very high	97.7	Very high	29 Å²	29	41.6 Å²	41.6	24%	0.24	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.3	-34.4	-178.8	0	0	0	0	0	113.3	N178 K179 R206	A176-N178 PolarHBondContact O-N 3.29Å; A176-K179 PolarHBondContact O-N 3.36Å; A176-R206 HydrophobicContact CB-CB 4.26Å; A176-R206 PolarHBondContact N-O 2.98Å
177	E	96.6	Very high	97.8	Very high	88 Å²	88	37 Å²	37	41%	0.411	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-61.4	-33.3	178.7	-69.8	67.8	-157.5	0	0	111.5	V128 I175 K179	V128-E177 HydrophobicContact CG2-CB 3.79Å; V128-E177 HydrophobicContact CG2-CG 4.17Å; I175-E177 HydrophobicContact CD1-CB 3.93Å; I175-E177 HydrophobicContact CD1-CG 4.28Å; I175-E177 WeakPolarHBondContact CD1-OE2 3.47Å; I175-E177 HydrophobicContact CG1-CB 4.14Å; I175-E177 PolarHBondContact O-N 3.07Å; E177-K179 PolarHBondContact O-N 3.41Å
178	N	97.5	Very high	97.8	Very high	2 Å²	2	37 Å²	37	1%	0.011	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-71.3	-8.5	177.6	-48.5	143.9	0	0	0	112.9	Y126 R148 G149 R150 T174 I175 A176 I183	Y126-N178 WeakPolarHBondContact CB-OD1 3.03Å; Y126-N178 PolarHBondContact O-ND2 2.94Å; R148-N178 PolarHBondContact O-ND2 3.17Å; G149-N178 PolarHBondContact O-ND2 2.81Å; G149-N178 VanDerWaalsContact O-ND2 3.14Å; R150-N178 VanDerWaalsContact CD-O 3.29Å; R150-N178 WeakPolarHBondContact CD-O 3.4Å; R150-N178 HydrophobicContact CG-CB 3.89Å; R150-N178 PolarHBondContact NH1-O 2.78Å; T174-N178 WeakPolarHBondContact CA-OD1 3.33Å; I175-N178 VanDerWaalsContact CG1-OD1 3.27Å; I175-N178 WeakPolarHBondContact CG1-OD1 3.48Å; I175-N178 PolarHBondContact N-OD1 3Å; I175-N178 WeakPolarHBondContact O-CB 3.48Å; I175-N178 PolarHBondContact O-N 3.32Å; A176-N178 PolarHBondContact O-N 3.29Å; N178-I183 HydrophobicContact CB-CD1 4.26Å
179	K	97.8	Very high	97.7	Very high	107 Å²	107	44.2 Å²	44.2	47%	0.465	20%	0.199	S	C	.	.			trans	56.2	68.5	-176.8	-49.9	-58.8	-179.4	-176.3	0	112.1	A176 E177 E181 E182 I183	A176-K179 PolarHBondContact O-N 3.36Å; E177-K179 PolarHBondContact O-N 3.41Å; K179-E181 PolarHBondContact O-N 2.93Å; K179-E181 VanDerWaalsContact O-N 3.16Å; K179-E182 HydrophobicContact CB-CB 3.9Å; K179-E182 WeakPolarHBondContact O-CA 3.43Å; K179-E182 VanDerWaalsContact O-CB 3.29Å; K179-E182 WeakPolarHBondContact O-CB 3.41Å; K179-E182 PolarHBondContact O-N 3.1Å; K179-I183 PolarHBondContact O-N 2.96Å
180	P	97.9	Very high	97.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-53.7	-36.5	-176.7	15.8	-27.8	0	0	0	114.1	E182 I183 I184 L210	P180-E182 VanDerWaalsContact C-N 3.26Å; P180-E182 PolarHBondContact O-N 3.15Å; P180-I183 WeakPolarHBondContact O-CB 3.35Å; P180-I183 PolarHBondContact O-N 3.34Å; P180-I184 WeakPolarHBondContact O-CG1 3.47Å; P180-I184 PolarHBondContact O-N 3.04Å; P180-L210 HydrophobicContact CB-CD1 3.86Å; P180-L210 HydrophobicContact CB-CD2 3.87Å; P180-L210 HydrophobicContact CB-CG 4.32Å
181	E	97.9	Very high	97.4	Very high	102 Å²	102	48.9 Å²	48.9	48%	0.477	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-27	177.9	-61.3	77.4	-173.3	0	0	112.6	K179 R185	K179-E181 PolarHBondContact O-N 2.93Å; K179-E181 VanDerWaalsContact O-N 3.16Å; E181-R185 WeakPolarHBondContact O-CG 3.5Å; E181-R185 PolarHBondContact O-N 3.37Å; E181-R185 PolarHBondContact O-NE 3.45Å
182	E	97.9	Very high	97.3	Very high	62 Å²	62	49 Å²	49	29%	0.29	23%	0.23	S	C	.	.	H	α-helix	trans	-74.7	-42.4	171.3	-168.8	-173	123.9	0	0	111.3	R148 R150 K179 P180 I184 R185 L186	R148-E182 IonicContact CZ-OE1 3.52Å; R148-E182 IonicContact CZ-OE2 2.88Å; R148-E182 IonicContact NH1-OE1 3.93Å; R148-E182 PolarHBondContact NH1-OE1 3.23Å; R148-E182 IonicContact NH1-OE2 4Å; R148-E182 IonicContact NH2-OE1 3.69Å; R148-E182 PolarHBondContact NH2-OE1 2.94Å; R148-E182 VanDerWaalsContact NH2-OE1 3.09Å; R148-E182 IonicContact NH2-OE2 3.34Å; R148-E182 PolarHBondContact NH2-OE2 2.74Å; R150-E182 IonicContact CZ-OE1 3.8Å; R150-E182 IonicContact NH1-OE1 2.69Å; R150-E182 PolarHBondContact NH1-OE1 3.14Å; R150-E182 IonicContact NH2-OE1 3.41Å; R150-E182 PolarHBondContact NH2-OE1 3.21Å; K179-E182 HydrophobicContact CB-CB 3.9Å; K179-E182 WeakPolarHBondContact O-CA 3.43Å; K179-E182 VanDerWaalsContact O-CB 3.29Å; K179-E182 WeakPolarHBondContact O-CB 3.41Å; K179-E182 PolarHBondContact O-N 3.1Å; P180-E182 VanDerWaalsContact C-N 3.26Å; P180-E182 PolarHBondContact O-N 3.15Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 2.89Å; E182-R185 PolarHBondContact O-N 3.31Å; E182-R185 VanDerWaalsContact O-N 3.13Å; E182-L186 WeakPolarHBondContact O-CB 3.21Å; E182-L186 PolarHBondContact O-N 2.84Å
183	I	98.2	Very high	97.3	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-44.5	173.7	-64.5	165.3	0	0	0	109.8	L157 L172 T174 N178 K179 P180 R185 L186 M187 L210 F212	L157-I183 HydrophobicContact CD1-CG2 4.03Å; L157-I183 HydrophobicContact CD2-CG2 4.24Å; L172-I183 HydrophobicContact CD2-CD1 4.48Å; L172-I183 HydrophobicContact CD2-CG2 3.96Å; T174-I183 HydrophobicContact CG2-CD1 3.68Å; N178-I183 HydrophobicContact CB-CD1 4.26Å; K179-I183 PolarHBondContact O-N 2.96Å; P180-I183 WeakPolarHBondContact O-CB 3.35Å; P180-I183 PolarHBondContact O-N 3.34Å; I183-R185 VanDerWaalsContact C-N 3.34Å; I183-R185 PolarHBondContact O-N 3.02Å; I183-L186 PolarHBondContact O-N 3.48Å; I183-M187 HydrophobicContact CG2-CG 4.24Å; I183-M187 WeakPolarHBondContact O-CB 3.38Å; I183-M187 VanDerWaalsContact O-CG 3.29Å; I183-M187 WeakPolarHBondContact O-CG 3.23Å; I183-M187 PolarHBondContact O-N 3.45Å; I183-L210 HydrophobicContact CB-CD1 4.34Å; I183-L210 HydrophobicContact CG2-CD1 4.25Å; I183-F212 HydrophobicContact CG2-CZ 4.02Å
184	I	98.3	Very high	97.2	Very high	17 Å²	17	53.3 Å²	53.3	9%	0.087	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-45	176.1	-67.4	168.4	0	0	0	111.6	P180 E182 M187 R188 G194 L210 F212	P180-I184 WeakPolarHBondContact O-CG1 3.47Å; P180-I184 PolarHBondContact O-N 3.04Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 2.89Å; I184-M187 PolarHBondContact O-N 2.82Å; I184-R188 PolarHBondContact O-N 2.96Å; I184-G194 WeakPolarHBondContact CG2-O 3.27Å; I184-L210 HydrophobicContact CD1-CD2 4.22Å; I184-L210 HydrophobicContact CG1-CD1 4.2Å; I184-F212 HydrophobicContact CB-CE1 4.48Å; I184-F212 HydrophobicContact CG1-CE1 4.01Å; I184-F212 HydrophobicContact CG1-CZ 4.11Å
185	R	97.7	Very high	97.2	Very high	153 Å²	153	57.9 Å²	57.9	58%	0.577	28%	0.276	S	S	*	.	H	α-helix	trans	-64.7	-38.7	177.4	-76.1	-176.1	-68.8	169.9	2.4	112.5	E181 E182 I183 R188	E181-R185 WeakPolarHBondContact O-CG 3.5Å; E181-R185 PolarHBondContact O-N 3.37Å; E181-R185 PolarHBondContact O-NE 3.45Å; E182-R185 PolarHBondContact O-N 3.31Å; E182-R185 VanDerWaalsContact O-N 3.13Å; I183-R185 VanDerWaalsContact C-N 3.34Å; I183-R185 PolarHBondContact O-N 3.02Å; R185-R188 PolarHBondContact O-N 3Å
186	L	96.8	Very high	97.2	Very high	45 Å²	45	60.5 Å²	60.5	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-45.6	176.8	-179.1	60.8	0	0	0	111.1	L157 E182 I183 R188 Q189 F190	L157-L186 HydrophobicContact CD1-CD2 3.64Å; L157-L186 HydrophobicContact CD1-CG 4.45Å; E182-L186 WeakPolarHBondContact O-CB 3.21Å; E182-L186 PolarHBondContact O-N 2.84Å; I183-L186 PolarHBondContact O-N 3.48Å; L186-R188 PolarHBondContact O-N 3.38Å; L186-Q189 VanDerWaalsContact O-CB 3.23Å; L186-Q189 WeakPolarHBondContact O-CB 3.38Å; L186-Q189 PolarHBondContact O-N 3.16Å; L186-F190 HydrophobicContact CD1-CE2 4.15Å; L186-F190 HydrophobicContact CG-CE2 4.02Å
187	M	97.5	Very high	97.1	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-29.4	179.9	-71	-65	-87.4	0	0	113.5	L157 V160 F170 I183 I184 Q189 F190 G191 L192 F212	L157-M187 HydrophobicContact CB-SD 3.8Å; L157-M187 HydrophobicContact CD1-SD 4.41Å; L157-M187 HydrophobicContact CD2-CE 4.24Å; L157-M187 HydrophobicContact CD2-CG 4.3Å; L157-M187 HydrophobicContact CD2-SD 3.73Å; L157-M187 HydrophobicContact CG-SD 4.15Å; V160-M187 HydrophobicContact CB-CE 3.9Å; V160-M187 HydrophobicContact CG1-CE 3.69Å; V160-M187 HydrophobicContact CG2-CE 4.23Å; F170-M187 HydrophobicContact CD1-CE 3.88Å; F170-M187 HydrophobicContact CE1-CE 3.99Å; I183-M187 HydrophobicContact CG2-CG 4.24Å; I183-M187 WeakPolarHBondContact O-CB 3.38Å; I183-M187 VanDerWaalsContact O-CG 3.29Å; I183-M187 WeakPolarHBondContact O-CG 3.23Å; I183-M187 PolarHBondContact O-N 3.45Å; I184-M187 PolarHBondContact O-N 2.82Å; M187-Q189 PolarHBondContact O-N 2.9Å; M187-F190 CarbonylContact O-C 3.44Å; M187-F190 WeakPolarHBondContact O-CA 3.23Å; M187-F190 PolarHBondContact O-N 2.89Å; M187-F190 HydrophobicContact SD-CD2 4.11Å; M187-G191 PolarHBondContact O-N 3.31Å; M187-L192 CarbonylContact C-O 3.57Å; M187-L192 HydrophobicContact CB-CB 4.29Å; M187-L192 HydrophobicContact CE-CB 4.47Å; M187-L192 HydrophobicContact CE-CD1 3.27Å; M187-L192 HydrophobicContact CE-CG 4.47Å; M187-L192 PolarHBondContact O-N 3Å; M187-L192 HydrophobicContact SD-CD1 4.25Å; M187-F212 HydrophobicContact CB-CD1 3.81Å; M187-F212 HydrophobicContact CB-CE1 3.62Å; M187-F212 HydrophobicContact CB-CZ 4.48Å; M187-F212 HydrophobicContact CE-CD1 4.37Å; M187-F212 HydrophobicContact CE-CG 4.3Å; M187-F212 HydrophobicContact CG-CD1 4.08Å; M187-F212 HydrophobicContact CG-CE1 3.69Å; M187-F212 HydrophobicContact CG-CZ 4.08Å
188	R	96.7	Very high	97.1	Very high	149 Å²	149	57.7 Å²	57.7	56%	0.562	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-32.8	171.1	-72	176.8	-175.1	157.4	3.4	113.1	I184 R185 L186 F190 G191 L192	I184-R188 PolarHBondContact O-N 2.96Å; R185-R188 PolarHBondContact O-N 3Å; L186-R188 PolarHBondContact O-N 3.38Å; R188-F190 PolarHBondContact O-N 3.13Å; R188-G191 PolarHBondContact O-N 3.29Å; R188-L192 WeakPolarHBondContact CA-O 3.47Å; R188-L192 PolarHBondContact N-O 3.02Å
189	Q	95.2	Very high	97.1	Very high	153 Å²	153	60.5 Å²	60.5	72%	0.715	30%	0.296	S	S	*	.	H	α-helix	trans	-66.1	-26.8	176	-54.4	178	3.2	0	0	111.5	L186 M187 G191	L186-Q189 VanDerWaalsContact O-CB 3.23Å; L186-Q189 WeakPolarHBondContact O-CB 3.38Å; L186-Q189 PolarHBondContact O-N 3.16Å; M187-Q189 PolarHBondContact O-N 2.9Å; Q189-G191 VanDerWaalsContact C-N 3.31Å
190	F	94.3	Very high	96.9	Very high	76 Å²	76	58.5 Å²	58.5	33%	0.333	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	10.7	173	-57.3	-60.9	0	0	0	113.6	P158 A161 L186 M187 R188	P158-F190 HydrophobicContact CB-CE1 4.31Å; P158-F190 HydrophobicContact CB-CZ 4.19Å; P158-F190 HydrophobicContact CG-CE2 4.45Å; P158-F190 HydrophobicContact CG-CZ 3.96Å; A161-F190 HydrophobicContact CB-CB 3.78Å; L186-F190 HydrophobicContact CD1-CE2 4.15Å; L186-F190 HydrophobicContact CG-CE2 4.02Å; M187-F190 CarbonylContact O-C 3.44Å; M187-F190 WeakPolarHBondContact O-CA 3.23Å; M187-F190 PolarHBondContact O-N 2.89Å; M187-F190 HydrophobicContact SD-CD2 4.11Å; R188-F190 PolarHBondContact O-N 3.13Å
191	G	96.1	Very high	96.7	Very high	37 Å²	37	67.6 Å²	67.6	38%	0.381	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	20.7	178.3	0	0	0	0	0	114.5	M187 R188 Q189 N215	M187-G191 PolarHBondContact O-N 3.31Å; R188-G191 PolarHBondContact O-N 3.29Å; Q189-G191 VanDerWaalsContact C-N 3.31Å; G191-N215 PolarHBondContact O-N 3.07Å
192	L	97.7	Very high	95.9	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	178.8	-59.3	173.3	0	0	0	110.4	V160 A161 L164 M187 R188 H213 R214	V160-L192 HydrophobicContact CB-CD1 4.32Å; V160-L192 HydrophobicContact CG1-CD1 3.69Å; A161-L192 HydrophobicContact CB-CD1 4.08Å; A161-L192 HydrophobicContact CB-CG 4.49Å; L164-L192 HydrophobicContact CD1-CD1 4.3Å; L164-L192 HydrophobicContact CD1-CD2 3.91Å; M187-L192 CarbonylContact C-O 3.57Å; M187-L192 HydrophobicContact CB-CB 4.29Å; M187-L192 HydrophobicContact CE-CB 4.47Å; M187-L192 HydrophobicContact CE-CD1 3.27Å; M187-L192 HydrophobicContact CE-CG 4.47Å; M187-L192 PolarHBondContact O-N 3Å; M187-L192 HydrophobicContact SD-CD1 4.25Å; R188-L192 WeakPolarHBondContact CA-O 3.47Å; R188-L192 PolarHBondContact N-O 3.02Å; L192-H213 CarbonylContact C-O 3.44Å; L192-H213 VanDerWaalsContact CA-O 3.3Å; L192-H213 WeakPolarHBondContact CA-O 3.49Å; L192-R214 HydrophobicContact CD2-CB 4.38Å; L192-R214 HydrophobicContact CD2-CG 3.71Å
193	E	97.8	Very high	95.2	Very high	76 Å²	76	63.9 Å²	63.9	36%	0.355	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	144.2	169.9	-68.2	-174.6	165.5	0	0	109.2	F212 H213 N215	E193-F212 CarbonylContact O-C 3.56Å; E193-F212 WeakPolarHBondContact O-CA 3.48Å; E193-H213 PolarHBondContact N-O 3Å; E193-H213 PolarHBondContact O-N 3.22Å; E193-H213 IonicContact OE2-CE1 3.37Å; E193-H213 PolarHBondContact OE2-CE1 3.03Å; E193-H213 IonicContact OE2-NE2 3.98Å; E193-N215 HydrophobicContact CG-CB 4.03Å; E193-N215 PolarHBondContact OE1-ND2 3.26Å; E193-N215 PolarHBondContact OE1-OD1 2.89Å
194	G	97.4	Very high	94.4	Very high	15 Å²	15	71.2 Å²	71.2	16%	0.155	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	150.2	-174.4	0	0	0	0	0	113	I184 R211 F212	I184-G194 WeakPolarHBondContact CG2-O 3.27Å; G194-R211 VanDerWaalsContact CA-O 3.27Å; G194-R211 WeakPolarHBondContact CA-O 3.36Å; G194-F212 VanDerWaalsContact CA-CD1 3.42Å
195	Q	97.8	Very high	93.7	Very high	97 Å²	97	73.6 Å²	73.6	45%	0.453	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.8	177.1	64.3	179.5	17.9	0	0	110.8	L210 R211	Q195-L210 CarbonylContact O-C 3.43Å; Q195-L210 WeakPolarHBondContact O-CA 3.46Å; Q195-R211 PolarHBondContact N-O 3.13Å; Q195-R211 PolarHBondContact O-N 2.75Å
196	T	98	Very high	93.6	Very high	59 Å²	59	72.5 Å²	72.5	36%	0.362	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.2	169.4	-53.1	0	0	0	0	109.5	S199 L210	T196-S199 VanDerWaalsContact CG2-OG 3.24Å; T196-S199 WeakPolarHBondContact CG2-OG 3.48Å; T196-L210 HydrophobicContact CG2-CD2 4.32Å; T196-L210 WeakPolarHBondContact OG1-CD2 3.37Å
197	C	94.8	Very high	93.6	Very high	12 Å²	12	70.5 Å²	70.5	8%	0.081	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-38.5	-179.5	-86.1	0	0	0	0	113.2	K37 V209 R211	K37-C197 PolarHBondContact NZ-O 2.89Å; C197-V209 PolarHBondContact N-O 2.96Å; C197-R211 HydrophobicContact CB-CB 4.36Å; C197-R211 WeakPolarHBondContact SG-CB 3.43Å; C197-R211 PolarHBondContact SG-NE 2.98Å
198	L	96.6	Very high	93.6	Very high	47 Å²	47	70.7 Å²	70.7	25%	0.246	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	146.7	-178.1	-161.2	64	0	0	0	109.4	L30 D33 A34 S208 V209	L30-L198 HydrophobicContact CD1-CB 4.4Å; L30-L198 HydrophobicContact CD1-CD2 3.55Å; L30-L198 HydrophobicContact CD1-CG 3.78Å; L30-L198 HydrophobicContact CG-CD2 4.37Å; D33-L198 HydrophobicContact CB-CD2 3.62Å; A34-L198 HydrophobicContact CB-CB 4.31Å; A34-L198 HydrophobicContact CB-CD2 4.42Å; L198-S208 WeakPolarHBondContact O-CA 3.47Å; L198-V209 PolarHBondContact O-N 2.77Å
199	S	96.4	Very high	93.7	Very high	61 Å²	61	63.6 Å²	63.6	43%	0.427	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.4	173.6	-64.4	0	0	0	0	109.6	T196 L207 S208	T196-S199 VanDerWaalsContact CG2-OG 3.24Å; T196-S199 WeakPolarHBondContact CG2-OG 3.48Å; S199-L207 CarbonylContact C-O 3.49Å; S199-L207 WeakPolarHBondContact CA-O 3.42Å; S199-L207 WeakPolarHBondContact CB-O 3.44Å; S199-S208 PolarHBondContact OG-OG 3.27Å
200	T	95.2	Very high	93.9	Very high	65 Å²	65	56.3 Å²	56.3	40%	0.399	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	167.6	172.7	-163.3	0	0	0	0	110.5	L30 L207	L30-T200 HydrophobicContact CD1-CG2 3.74Å; L30-T200 HydrophobicContact CD2-CG2 4.06Å; L30-T200 HydrophobicContact CG-CG2 4.37Å; T200-L207 HydrophobicContact CG2-CB 4.31Å; T200-L207 PolarHBondContact N-O 3.21Å; T200-L207 PolarHBondContact O-N 2.95Å
201	R	92.3	Very high	94.1	Very high	191 Å²	191	54.8 Å²	54.8	72%	0.721	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.9	168.6	-167.6	179.2	-171.6	-176.5	3.7	108.3	G203 E205	R201-G203 PolarHBondContact NE-O 2.61Å; R201-E205 WeakPolarHBondContact CA-O 3.19Å
202	A	82.1	Confident	94.2	Very high	21 Å²	21	53 Å²	53	17%	0.174	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	106.4	174.9	0	0	0	0	0	107.9	E26 N204 E205 L207	E26-A202 HydrophobicContact CB-CB 3.8Å; E26-A202 HydrophobicContact CG-CB 3.93Å; A202-N204 PolarHBondContact O-N 3.15Å; A202-E205 PolarHBondContact N-O 3.45Å; A202-E205 PolarHBondContact O-N 3.42Å; A202-L207 HydrophobicContact CB-CD1 3.7Å
203	G	82.8	Confident	94.2	Very high	65 Å²	65	56 Å²	56	67%	0.67	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	-120.1	-170.6	0	0	0	0	0	112.5	R201	R201-G203 PolarHBondContact NE-O 2.61Å
204	N	81.1	Confident	94.1	Very high	155 Å²	155	55.7 Å²	55.7	83%	0.829	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-9	178.8	-69.7	-24.3	0	0	0	113.6	A202	A202-N204 PolarHBondContact O-N 3.15Å
205	E	83.9	Confident	93.6	Very high	68 Å²	68	58.4 Å²	58.4	32%	0.318	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	146.3	-175.8	-60.3	-173.9	160.9	0	0	111.2	I175 R201 A202	I175-E205 HydrophobicContact CG2-CB 4.34Å; R201-E205 WeakPolarHBondContact CA-O 3.19Å; A202-E205 PolarHBondContact N-O 3.45Å; A202-E205 PolarHBondContact O-N 3.42Å
206	R	94.8	Very high	92.2	Very high	130 Å²	130	61.9 Å²	61.9	49%	0.491	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	98.3	170.5	-172.7	177.7	76	153.1	6	108.4	I175 A176	I175-R206 WeakPolarHBondContact CA-O 3.4Å; A176-R206 HydrophobicContact CB-CB 4.26Å; A176-R206 PolarHBondContact N-O 2.98Å
207	L	97.2	Very high	90.3	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	142.1	178.4	-69.8	162.5	0	0	0	110.4	E26 D27 L30 Y126 V173 T174 I175 S199 T200 A202	E26-L207 HydrophobicContact CB-CD1 4.15Å; D27-L207 HydrophobicContact CB-CD1 4.31Å; D27-L207 HydrophobicContact CB-CD2 4.12Å; L30-L207 HydrophobicContact CD2-CB 3.54Å; Y126-L207 HydrophobicContact CE2-CD2 4.38Å; V173-L207 HydrophobicContact CG1-CD2 4.25Å; T174-L207 CarbonylContact O-C 3.54Å; T174-L207 WeakPolarHBondContact O-CA 3.41Å; I175-L207 HydrophobicContact CG2-CD2 3.49Å; I175-L207 VanDerWaalsContact CG2-CD2 3.49Å; I175-L207 HydrophobicContact CG2-CG 4.27Å; S199-L207 CarbonylContact C-O 3.49Å; S199-L207 WeakPolarHBondContact CA-O 3.42Å; S199-L207 WeakPolarHBondContact CB-O 3.44Å; T200-L207 HydrophobicContact CG2-CB 4.31Å; T200-L207 PolarHBondContact N-O 3.21Å; T200-L207 PolarHBondContact O-N 2.95Å; A202-L207 HydrophobicContact CB-CD1 3.7Å
208	S	98.3	Very high	87.8	Confident	4 Å²	4	82.7 Å²	82.7	3%	0.028	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	134	177.5	-71.1	0	0	0	0	110.4	T174 L198 S199	T174-S208 PolarHBondContact N-O 2.89Å; T174-S208 PolarHBondContact O-N 3.21Å; T174-S208 PolarHBondContact OG1-O 3.41Å; T174-S208 VanDerWaalsContact OG1-O 3.1Å; L198-S208 WeakPolarHBondContact O-CA 3.47Å; S199-S208 PolarHBondContact OG-OG 3.27Å
209	V	98.8	Very high	87.4	Confident	0 Å²	0	84.5 Å²	84.5	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	116.1	167.3	-179	0	0	0	0	108.3	L30 L31 A34 Y171 L172 V173 C197 L198	L30-V209 HydrophobicContact CD2-CG2 3.93Å; L30-V209 HydrophobicContact CG-CG2 3.8Å; L31-V209 HydrophobicContact CD1-CG1 3.94Å; L31-V209 HydrophobicContact CD1-CG2 4.45Å; A34-V209 HydrophobicContact CB-CB 3.97Å; A34-V209 HydrophobicContact CB-CG1 3.74Å; A34-V209 HydrophobicContact CB-CG2 4.08Å; Y171-V209 HydrophobicContact CD1-CG1 4.1Å; L172-V209 WeakPolarHBondContact O-CA 3.29Å; V173-V209 HydrophobicContact CG2-CG2 4.38Å; C197-V209 PolarHBondContact N-O 2.96Å; L198-V209 PolarHBondContact O-N 2.77Å
210	L	98.8	Very high	86.9	Confident	0 Å²	0	85.7 Å²	85.7	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.5	172.5	-50.9	-174.3	0	0	0	109.2	Y171 L172 T174 P180 I183 I184 Q195 T196 F212	Y171-L210 CarbonylContact C-O 3.26Å; Y171-L210 VanDerWaalsContact CA-O 3.3Å; Y171-L210 WeakPolarHBondContact CA-O 3.39Å; L172-L210 HydrophobicContact CB-CB 4.4Å; L172-L210 PolarHBondContact N-O 3.13Å; L172-L210 PolarHBondContact O-N 3.24Å; T174-L210 HydrophobicContact CG2-CD1 3.95Å; T174-L210 HydrophobicContact CG2-CG 4.3Å; P180-L210 HydrophobicContact CB-CD1 3.86Å; P180-L210 HydrophobicContact CB-CD2 3.87Å; P180-L210 HydrophobicContact CB-CG 4.32Å; I183-L210 HydrophobicContact CB-CD1 4.34Å; I183-L210 HydrophobicContact CG2-CD1 4.25Å; I184-L210 HydrophobicContact CD1-CD2 4.22Å; I184-L210 HydrophobicContact CG1-CD1 4.2Å; Q195-L210 CarbonylContact O-C 3.43Å; Q195-L210 WeakPolarHBondContact O-CA 3.46Å; T196-L210 HydrophobicContact CG2-CD2 4.32Å; T196-L210 WeakPolarHBondContact OG1-CD2 3.37Å; L210-F212 HydrophobicContact CB-CD2 4.38Å; L210-F212 HydrophobicContact CB-CE2 3.51Å; L210-F212 HydrophobicContact CB-CZ 3.84Å; L210-F212 HydrophobicContact CD1-CE2 4.17Å; L210-F212 HydrophobicContact CD1-CZ 3.85Å
211	R	98.7	Very high	86.5	Confident	45 Å²	45	86.9 Å²	86.9	17%	0.17	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.2	172	-173.1	-178.7	71.5	-172.1	5.1	109.8	D38 F170 Y171 G194 Q195 C197	D38-R211 IonicContact OD1-NH1 2.91Å; D38-R211 PolarHBondContact OD1-NH1 2.79Å; D38-R211 WeakPolarHBondContact OD2-CD 3.39Å; D38-R211 IonicContact OD2-CZ 3.24Å; D38-R211 IonicContact OD2-NE 3.79Å; D38-R211 IonicContact OD2-NH1 3.68Å; D38-R211 PolarHBondContact OD2-NH1 3.49Å; F170-R211 CarbonylContact O-C 3.58Å; F170-R211 VanDerWaalsContact O-CA 3.27Å; F170-R211 WeakPolarHBondContact O-CA 3.03Å; Y171-R211 HydrophobicContact CD1-CB 4.26Å; Y171-R211 HydrophobicContact CD1-CG 4.18Å; Y171-R211 HydrophobicContact CE1-CB 4.18Å; Y171-R211 HydrophobicContact CE1-CG 3.79Å; Y171-R211 HydrophobicContact CE2-CG 4.37Å; Y171-R211 WeakPolarHBondContact OH-CD 3Å; G194-R211 VanDerWaalsContact CA-O 3.27Å; G194-R211 WeakPolarHBondContact CA-O 3.36Å; Q195-R211 PolarHBondContact N-O 3.13Å; Q195-R211 PolarHBondContact O-N 2.75Å; C197-R211 HydrophobicContact CB-CB 4.36Å; C197-R211 WeakPolarHBondContact SG-CB 3.43Å; C197-R211 PolarHBondContact SG-NE 2.98Å
212	F	98.6	Very high	86.1	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	151.6	179.4	-56.8	-91.2	0	0	0	111.7	L169 F170 L172 I183 I184 M187 E193 G194 L210	L169-F212 CarbonylContact C-O 3.51Å; L169-F212 WeakPolarHBondContact CA-O 3.22Å; F170-F212 HydrophobicContact CB-CB 4.2Å; F170-F212 HydrophobicContact CD1-CB 4.18Å; F170-F212 AromaticContact CD1-CD2 3.4Å; F170-F212 HydrophobicContact CD1-CD2 3.4Å; F170-F212 HydrophobicContact CD1-CE2 4.09Å; F170-F212 HydrophobicContact CD1-CG 4.05Å; F170-F212 AromaticContact CE1-CD2 3.91Å; F170-F212 HydrophobicContact CE1-CD2 3.91Å; F170-F212 HydrophobicContact CE1-CE2 4.13Å; F170-F212 HydrophobicContact CG-CD2 4.24Å; F170-F212 PolarHBondContact N-O 2.96Å; F170-F212 PolarHBondContact O-N 3.43Å; L172-F212 HydrophobicContact CB-CE2 4.18Å; L172-F212 HydrophobicContact CD2-CE2 4.34Å; I183-F212 HydrophobicContact CG2-CZ 4.02Å; I184-F212 HydrophobicContact CB-CE1 4.48Å; I184-F212 HydrophobicContact CG1-CE1 4.01Å; I184-F212 HydrophobicContact CG1-CZ 4.11Å; M187-F212 HydrophobicContact CB-CD1 3.81Å; M187-F212 HydrophobicContact CB-CE1 3.62Å; M187-F212 HydrophobicContact CB-CZ 4.48Å; M187-F212 HydrophobicContact CE-CD1 4.37Å; M187-F212 HydrophobicContact CE-CG 4.3Å; M187-F212 HydrophobicContact CG-CD1 4.08Å; M187-F212 HydrophobicContact CG-CE1 3.69Å; M187-F212 HydrophobicContact CG-CZ 4.08Å; E193-F212 CarbonylContact O-C 3.56Å; E193-F212 WeakPolarHBondContact O-CA 3.48Å; G194-F212 VanDerWaalsContact CA-CD1 3.42Å; L210-F212 HydrophobicContact CB-CD2 4.38Å; L210-F212 HydrophobicContact CB-CE2 3.51Å; L210-F212 HydrophobicContact CB-CZ 3.84Å; L210-F212 HydrophobicContact CD1-CE2 4.17Å; L210-F212 HydrophobicContact CD1-CZ 3.85Å
213	H	97.9	Very high	86.4	Confident	63 Å²	63	84.5 Å²	84.5	29%	0.292	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	163.8	170	61.6	86.9	0	0	0	110.2	L169 L192 E193 N215	L169-H213 HydrophobicContact CD2-CB 3.83Å; L192-H213 CarbonylContact C-O 3.44Å; L192-H213 VanDerWaalsContact CA-O 3.3Å; L192-H213 WeakPolarHBondContact CA-O 3.49Å; E193-H213 PolarHBondContact N-O 3Å; E193-H213 PolarHBondContact O-N 3.22Å; E193-H213 IonicContact OE2-CE1 3.37Å; E193-H213 PolarHBondContact OE2-CE1 3.03Å; E193-H213 IonicContact OE2-NE2 3.98Å; H213-N215 PolarHBondContact O-N 3.48Å
214	R	95.4	Very high	86.6	Confident	70 Å²	70	85.8 Å²	85.8	26%	0.264	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	138.3	172.4	-70.7	-171.7	-178.1	-81.7	4.8	110.6	A161 L164 S165 L192 Q216	A161-R214 PolarHBondContact O-NH1 3.26Å; A161-R214 PolarHBondContact O-NH2 3.24Å; L164-R214 VanDerWaalsContact O-CZ 3.28Å; L164-R214 PolarHBondContact O-NE 2.89Å; L164-R214 PolarHBondContact O-NH2 3.47Å; S165-R214 VanDerWaalsContact O-CD 3.28Å; S165-R214 WeakPolarHBondContact O-CD 3.47Å; S165-R214 PolarHBondContact O-NE 3.17Å; S165-R214 VanDerWaalsContact O-NE 3.1Å; L192-R214 HydrophobicContact CD2-CB 4.38Å; L192-R214 HydrophobicContact CD2-CG 3.71Å; R214-Q216 PolarHBondContact O-N 2.88Å
215	N	86.9	Confident	87	Confident	72 Å²	72	80.9 Å²	80.9	39%	0.385	34%	0.341	S	S	.	.			trans	-64.2	117.6	168.2	-164.2	-30	0	0	0	107.8	G191 E193 H213 K217	G191-N215 PolarHBondContact O-N 3.07Å; E193-N215 HydrophobicContact CG-CB 4.03Å; E193-N215 PolarHBondContact OE1-ND2 3.26Å; E193-N215 PolarHBondContact OE1-OD1 2.89Å; H213-N215 PolarHBondContact O-N 3.48Å; N215-K217 PolarHBondContact O-N 3.42Å
216	Q	67.9	Low	87.3	Confident	169 Å²	169	81.8 Å²	81.8	79%	0.79	34%	0.343	S	S	*	.			trans	-72.8	87.4	170	-66.2	-174.5	10.1	0	0	106.9	R214 R218	R214-Q216 PolarHBondContact O-N 2.88Å; Q216-R218 PolarHBondContact O-N 3.44Å
217	K	58.3	Low	86.6	Confident	193 Å²	193	77.8 Å²	77.8	84%	0.839	33%	0.331	S	S	*	.			trans	-58.6	112.5	164.6	-75.8	-171.3	176.9	-177.5	0	107	N215	N215-K217 PolarHBondContact O-N 3.42Å
218	R	42.7	Very low	85.7	Confident	316 Å²	316	84.7 Å²	84.7	100%	1.192	36%	0.36	S	S	*	.			trans	-54.7	0	161.5	-76.9	-176.4	172.7	-170.6	-1.9	110.3	Q216	Q216-R218 PolarHBondContact O-N 3.44Å

Retrieved 218 of 218 residues in 201.6 ms (Link to these results)

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